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 3kds_1_F DATA FIRST_RESID 156 DATA SEQUENCE KRVTFKDVGG AEEAIEELKE VVEFLKDPSK FNRIGARMPK GILLVGPPGT DATA SEQUENCE GATLLARAVA GEANVPFFHI SGSDFVELFV GVGAARVRDL FAQAKAHAPC DATA SEQUENCE IVFIDEIDAV GRXXXXXXXX XHDEREQTLN QLLVEMDGFD SKEGIIVMAA DATA SEQUENCE TNRPDILDPA LLRPGRFDKK IVVDPPDMLG RKKILEIHTR NKPLAEDVNL DATA SEQUENCE EIIAKRTPGF VGADLENLVN EAALLAAREG RDKITMKDFE EAIDRVIAGP DATA SEQUENCE ARKSLLISPA EKRIIAYHEA GHAVVSTVVP NGEPVHRISI IPRGYKALGY DATA SEQUENCE TLHLPEEDKY LVSRNELLDK LTALLGGRAA EEVVFGDVTS GAANDIERAT DATA SEQUENCE EIARNMVCQL GMSEELGPLA WGKXXXXXXX XXXXXXLRNY SEEVASKIDE DATA SEQUENCE EVKKIVTNCY ERAKEIIRKY RKQLDNIVEI LLEKETIEGD ELRRILSE 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 156 K HA 0.000 nan 4.320 nan 0.000 0.191 156 K C 0.000 176.542 176.600 -0.096 0.000 0.988 156 K CA 0.000 56.248 56.287 -0.065 0.000 0.838 156 K CB 0.000 32.465 32.500 -0.058 0.000 1.064 157 R N 1.277 121.718 120.500 -0.098 0.000 2.738 157 R HA 0.414 4.753 4.340 -0.000 0.000 0.268 157 R C -0.579 175.633 176.300 -0.147 0.000 1.062 157 R CA -0.246 55.777 56.100 -0.129 0.000 1.158 157 R CB 0.593 30.826 30.300 -0.111 0.000 1.046 157 R HN 0.436 nan 8.270 nan 0.000 0.493 158 V N -0.830 118.970 119.914 -0.191 0.000 2.932 158 V HA 0.589 4.709 4.120 -0.000 0.000 0.307 158 V C -0.434 175.514 176.094 -0.243 0.000 1.147 158 V CA -0.774 61.410 62.300 -0.193 0.000 0.951 158 V CB 1.584 33.288 31.823 -0.198 0.000 1.031 158 V HN 1.023 nan 8.190 nan 0.000 0.426 159 T N -0.973 113.451 114.554 -0.216 0.000 2.773 159 T HA 0.633 4.983 4.350 -0.000 0.000 0.278 159 T C 0.259 174.847 174.700 -0.186 0.000 1.011 159 T CA -0.602 61.310 62.100 -0.313 0.000 1.014 159 T CB 1.540 70.273 68.868 -0.226 0.000 1.293 159 T HN 0.455 nan 8.240 nan 0.000 0.554 160 F N 0.570 120.496 119.950 -0.040 0.000 2.788 160 F HA 0.190 4.717 4.527 -0.000 0.000 0.300 160 F C 2.039 177.824 175.800 -0.025 0.000 1.229 160 F CA -0.199 57.785 58.000 -0.028 0.000 1.446 160 F CB -0.320 38.672 39.000 -0.013 0.000 1.118 160 F HN 0.368 nan 8.300 nan 0.000 0.579 161 K N -0.544 119.908 120.400 0.086 0.000 2.354 161 K HA 0.019 4.339 4.320 -0.000 0.000 0.194 161 K C 0.684 177.290 176.600 0.010 0.000 1.038 161 K CA 0.142 56.456 56.287 0.044 0.000 1.052 161 K CB 0.255 32.765 32.500 0.016 0.000 0.861 161 K HN 0.099 nan 8.250 nan 0.000 0.535 162 D N 0.652 121.048 120.400 -0.006 0.000 2.350 162 D HA 0.007 4.646 4.640 -0.000 0.000 0.213 162 D C -0.079 176.210 176.300 -0.018 0.000 1.031 162 D CA 0.497 54.474 54.000 -0.038 0.000 0.861 162 D CB 0.696 41.452 40.800 -0.072 0.000 0.926 162 D HN -0.124 nan 8.370 nan 0.000 0.520 163 V N 0.965 120.903 119.914 0.040 0.000 2.370 163 V HA 0.591 4.711 4.120 -0.000 0.000 0.283 163 V C 0.756 176.886 176.094 0.061 0.000 1.023 163 V CA -0.839 61.498 62.300 0.061 0.000 0.857 163 V CB 1.573 33.463 31.823 0.111 0.000 0.985 163 V HN -0.019 nan 8.190 nan 0.000 0.443 164 G N 2.273 111.108 108.800 0.058 0.000 2.461 164 G HA2 0.551 4.511 3.960 -0.000 0.000 0.329 164 G HA3 0.551 4.511 3.960 -0.000 0.000 0.329 164 G C 0.730 175.664 174.900 0.056 0.000 1.170 164 G CA -0.167 44.967 45.100 0.056 0.000 0.935 164 G HN 1.616 nan 8.290 nan 0.000 0.492 165 G N -1.348 107.479 108.800 0.045 0.000 2.323 165 G HA2 0.218 4.178 3.960 -0.000 0.000 0.292 165 G HA3 0.218 4.178 3.960 -0.000 0.000 0.292 165 G C 0.553 175.474 174.900 0.035 0.000 1.040 165 G CA 0.738 45.864 45.100 0.044 0.000 0.942 165 G HN 1.984 nan 8.290 nan 0.000 0.506 166 A N -1.052 121.778 122.820 0.017 0.000 2.958 166 A HA 0.658 4.978 4.320 -0.000 0.000 0.214 166 A C 1.002 178.564 177.584 -0.038 0.000 0.902 166 A CA 0.851 52.887 52.037 -0.001 0.000 1.136 166 A CB 0.282 19.286 19.000 0.007 0.000 1.250 166 A HN 0.259 nan 8.150 nan 0.000 0.497 167 E N 0.560 120.742 120.200 -0.030 0.000 2.110 167 E HA -0.190 4.160 4.350 -0.000 0.000 0.193 167 E C 1.444 178.005 176.600 -0.065 0.000 0.988 167 E CA 1.948 58.318 56.400 -0.051 0.000 0.804 167 E CB -0.061 29.624 29.700 -0.026 0.000 0.745 167 E HN 0.728 nan 8.360 nan 0.000 0.458 168 E N 0.576 120.750 120.200 -0.043 0.000 2.051 168 E HA -0.142 4.207 4.350 -0.000 0.000 0.192 168 E C 1.993 178.560 176.600 -0.055 0.000 0.991 168 E CA 1.398 57.773 56.400 -0.041 0.000 0.799 168 E CB -0.355 29.330 29.700 -0.024 0.000 0.748 168 E HN 0.307 nan 8.360 nan 0.000 0.449 169 A N 0.775 123.562 122.820 -0.056 0.000 1.898 169 A HA -0.131 4.189 4.320 -0.000 0.000 0.216 169 A C 2.244 179.744 177.584 -0.140 0.000 1.181 169 A CA 1.123 53.122 52.037 -0.063 0.000 0.620 169 A CB -0.644 18.335 19.000 -0.034 0.000 0.819 169 A HN 0.193 nan 8.150 nan 0.000 0.442 170 I N -0.343 120.094 120.570 -0.221 0.000 2.454 170 I HA -0.192 3.978 4.170 -0.000 0.000 0.254 170 I C 2.336 178.215 176.117 -0.397 0.000 1.156 170 I CA 0.963 61.976 61.300 -0.479 0.000 1.433 170 I CB -0.268 37.406 38.000 -0.543 0.000 1.082 170 I HN 0.345 nan 8.210 nan 0.000 0.432 171 E N 0.669 120.748 120.200 -0.203 0.000 2.051 171 E HA -0.147 4.203 4.350 -0.000 0.000 0.189 171 E C 1.996 178.550 176.600 -0.077 0.000 0.979 171 E CA 0.795 57.124 56.400 -0.119 0.000 0.803 171 E CB -0.179 29.480 29.700 -0.069 0.000 0.761 171 E HN 0.403 nan 8.360 nan 0.000 0.451 172 E N 0.505 120.667 120.200 -0.064 0.000 2.267 172 E HA -0.126 4.224 4.350 -0.000 0.000 0.197 172 E C 1.773 178.361 176.600 -0.022 0.000 0.998 172 E CA 0.564 56.947 56.400 -0.028 0.000 0.830 172 E CB 0.043 29.733 29.700 -0.017 0.000 0.751 172 E HN 0.260 nan 8.360 nan 0.000 0.491 173 L N -0.075 121.105 121.223 -0.072 0.000 2.667 173 L HA 0.090 4.430 4.340 -0.000 0.000 0.232 173 L C 1.974 178.850 176.870 0.010 0.000 1.138 173 L CA -0.000 54.823 54.840 -0.028 0.000 0.921 173 L CB 0.215 42.234 42.059 -0.067 0.000 1.180 173 L HN -0.107 nan 8.230 nan 0.000 0.487 174 K N 0.608 120.997 120.400 -0.018 0.000 2.167 174 K HA -0.124 4.196 4.320 -0.000 0.000 0.203 174 K C 1.874 178.559 176.600 0.142 0.000 1.052 174 K CA 1.196 57.526 56.287 0.072 0.000 0.956 174 K CB 0.252 32.770 32.500 0.029 0.000 0.735 174 K HN 0.459 nan 8.250 nan 0.000 0.451 175 E N 0.622 120.894 120.200 0.120 0.000 2.072 175 E HA -0.114 4.236 4.350 -0.000 0.000 0.190 175 E C 1.784 178.461 176.600 0.128 0.000 0.982 175 E CA 1.005 57.505 56.400 0.168 0.000 0.803 175 E CB -0.402 29.383 29.700 0.141 0.000 0.755 175 E HN -0.107 nan 8.360 nan 0.000 0.453 176 V N 1.553 121.523 119.914 0.093 0.000 2.568 176 V HA -0.220 3.899 4.120 -0.000 0.000 0.253 176 V C 2.332 178.529 176.094 0.171 0.000 1.072 176 V CA 1.375 63.743 62.300 0.112 0.000 1.084 176 V CB -0.210 31.684 31.823 0.118 0.000 0.676 176 V HN 0.230 nan 8.190 nan 0.000 0.469 177 V N -0.314 119.717 119.914 0.194 0.000 2.488 177 V HA -0.164 3.956 4.120 -0.000 0.000 0.246 177 V C 2.328 178.520 176.094 0.165 0.000 1.046 177 V CA 1.619 64.031 62.300 0.186 0.000 1.053 177 V CB -0.485 31.486 31.823 0.247 0.000 0.679 177 V HN 0.590 nan 8.190 nan 0.000 0.458 178 E N -0.226 120.103 120.200 0.214 0.000 2.072 178 E HA -0.227 4.123 4.350 -0.000 0.000 0.191 178 E C 2.015 178.804 176.600 0.316 0.000 0.985 178 E CA 1.476 58.042 56.400 0.276 0.000 0.801 178 E CB -0.227 29.703 29.700 0.382 0.000 0.750 178 E HN 0.598 nan 8.360 nan 0.000 0.452 179 F N 1.115 121.070 119.950 0.007 0.000 2.365 179 F HA -0.072 4.455 4.527 -0.000 0.000 0.300 179 F C 1.630 177.401 175.800 -0.048 0.000 1.090 179 F CA 0.982 58.841 58.000 -0.235 0.000 1.408 179 F CB 0.135 38.679 39.000 -0.760 0.000 1.060 179 F HN -0.087 nan 8.300 nan 0.000 0.534 180 L N -0.481 120.675 121.223 -0.112 0.000 2.307 180 L HA -0.037 4.303 4.340 -0.000 0.000 0.211 180 L C 2.183 178.991 176.870 -0.103 0.000 1.099 180 L CA 0.648 55.390 54.840 -0.163 0.000 0.816 180 L CB -0.398 41.648 42.059 -0.022 0.000 0.952 180 L HN -0.025 nan 8.230 nan 0.000 0.455 181 K N -0.512 119.873 120.400 -0.024 0.000 2.116 181 K HA -0.060 4.260 4.320 -0.000 0.000 0.203 181 K C 0.126 176.724 176.600 -0.003 0.000 1.052 181 K CA 0.852 57.141 56.287 0.003 0.000 0.952 181 K CB 0.186 32.713 32.500 0.045 0.000 0.729 181 K HN -0.012 nan 8.250 nan 0.000 0.446 182 D N -0.950 119.460 120.400 0.016 0.000 2.527 182 D HA 0.150 4.790 4.640 -0.000 0.000 0.242 182 D C -2.450 173.894 176.300 0.074 0.000 1.285 182 D CA -1.769 52.252 54.000 0.036 0.000 0.886 182 D CB 1.173 42.017 40.800 0.074 0.000 1.402 182 D HN -0.233 nan 8.370 nan 0.000 0.528 183 P HA -0.119 nan 4.420 nan 0.000 0.222 183 P C 1.450 178.870 177.300 0.201 0.000 1.147 183 P CA 0.895 63.884 63.100 -0.185 0.000 0.790 183 P CB 0.235 31.656 31.700 -0.464 0.000 0.780 184 S N -0.411 115.369 115.700 0.133 0.000 2.382 184 S HA -0.145 4.325 4.470 -0.000 0.000 0.228 184 S C 1.874 176.571 174.600 0.162 0.000 1.027 184 S CA 0.912 59.193 58.200 0.136 0.000 0.991 184 S CB -0.890 62.353 63.200 0.072 0.000 0.823 184 S HN 0.004 nan 8.310 nan 0.000 0.469 185 K N 0.631 121.129 120.400 0.163 0.000 2.211 185 K HA 0.017 4.337 4.320 -0.000 0.000 0.204 185 K C 1.389 177.943 176.600 -0.077 0.000 1.047 185 K CA 1.082 57.377 56.287 0.013 0.000 0.935 185 K CB -0.515 31.941 32.500 -0.072 0.000 0.728 185 K HN 0.586 nan 8.250 nan 0.000 0.452 186 F N 0.757 120.806 119.950 0.165 0.000 2.383 186 F HA 0.080 4.607 4.527 -0.000 0.000 0.287 186 F C 1.961 177.840 175.800 0.132 0.000 1.069 186 F CA 0.213 58.311 58.000 0.163 0.000 1.402 186 F CB -0.437 38.719 39.000 0.260 0.000 1.116 186 F HN -0.042 nan 8.300 nan 0.000 0.549 187 N N 1.145 120.061 118.700 0.361 0.000 2.166 187 N HA -0.172 4.568 4.740 -0.000 0.000 0.186 187 N C 1.891 177.480 175.510 0.133 0.000 1.019 187 N CA 1.378 54.563 53.050 0.226 0.000 0.856 187 N CB -0.484 38.124 38.487 0.201 0.000 0.993 187 N HN 0.397 nan 8.380 nan 0.000 0.426 188 R N 1.426 121.991 120.500 0.108 0.000 2.096 188 R HA -0.010 4.330 4.340 -0.000 0.000 0.235 188 R C 1.754 178.079 176.300 0.042 0.000 1.127 188 R CA 1.347 57.482 56.100 0.060 0.000 0.968 188 R CB -0.585 29.738 30.300 0.039 0.000 0.861 188 R HN 0.376 nan 8.270 nan 0.000 0.440 189 I N -3.201 117.394 120.570 0.041 0.000 3.877 189 I HA 0.539 4.709 4.170 -0.000 0.000 0.332 189 I C 0.485 176.624 176.117 0.038 0.000 1.525 189 I CA 0.029 61.343 61.300 0.022 0.000 1.146 189 I CB 0.712 38.707 38.000 -0.008 0.000 1.137 189 I HN 0.331 nan 8.210 nan 0.000 0.424 190 G N 1.954 110.790 108.800 0.061 0.000 2.180 190 G HA2 -0.338 3.622 3.960 -0.000 0.000 0.263 190 G HA3 -0.338 3.622 3.960 -0.000 0.000 0.263 190 G C 0.606 175.545 174.900 0.065 0.000 0.989 190 G CA 0.210 45.345 45.100 0.057 0.000 0.692 190 G HN 0.937 nan 8.290 nan 0.000 0.526 191 A N 0.778 123.660 122.820 0.102 0.000 2.981 191 A HA 0.532 4.852 4.320 -0.000 0.000 0.280 191 A C 1.214 178.875 177.584 0.129 0.000 1.797 191 A CA 0.789 52.908 52.037 0.138 0.000 1.456 191 A CB -0.449 18.671 19.000 0.200 0.000 1.057 191 A HN 1.125 nan 8.150 nan 0.000 0.602 192 R N 1.994 122.510 120.500 0.027 0.000 2.734 192 R HA 0.370 4.710 4.340 -0.000 0.000 0.266 192 R C -0.223 175.966 176.300 -0.184 0.000 1.044 192 R CA -0.050 56.011 56.100 -0.064 0.000 1.128 192 R CB 0.335 30.603 30.300 -0.052 0.000 1.010 192 R HN 0.386 nan 8.270 nan 0.000 0.461 193 M N 1.946 121.327 119.600 -0.364 0.000 2.706 193 M HA 0.453 4.933 4.480 -0.000 0.000 0.304 193 M C -2.179 173.975 176.300 -0.243 0.000 1.217 193 M CA -2.705 52.321 55.300 -0.458 0.000 0.922 193 M CB 1.211 33.209 32.600 -1.004 0.000 1.637 193 M HN 0.606 nan 8.290 nan 0.000 0.492 194 P HA 0.351 nan 4.420 nan 0.000 0.282 194 P C -0.307 176.965 177.300 -0.046 0.000 1.249 194 P CA -0.318 62.727 63.100 -0.092 0.000 0.806 194 P CB 0.805 32.473 31.700 -0.054 0.000 0.984 195 K N 0.467 120.843 120.400 -0.039 0.000 2.361 195 K HA 0.229 4.549 4.320 -0.000 0.000 0.196 195 K C 0.912 177.502 176.600 -0.016 0.000 1.039 195 K CA 0.345 56.692 56.287 0.099 0.000 1.001 195 K CB 0.191 32.668 32.500 -0.038 0.000 0.795 195 K HN 0.592 nan 8.250 nan 0.000 0.495 196 G N 1.385 110.059 108.800 -0.209 0.000 2.739 196 G HA2 0.552 4.511 3.960 -0.000 0.000 0.291 196 G HA3 0.552 4.511 3.960 -0.000 0.000 0.291 196 G C -1.090 173.798 174.900 -0.020 0.000 1.478 196 G CA -0.591 44.214 45.100 -0.492 0.000 1.062 196 G HN -0.019 nan 8.290 nan 0.000 0.532 197 I N 2.273 122.955 120.570 0.186 0.000 2.406 197 I HA 0.345 4.515 4.170 -0.000 0.000 0.290 197 I C -0.858 175.454 176.117 0.325 0.000 0.999 197 I CA -0.915 60.529 61.300 0.240 0.000 1.124 197 I CB 2.168 40.260 38.000 0.154 0.000 1.289 197 I HN 0.250 nan 8.210 nan 0.000 0.441 198 L N 7.777 129.146 121.223 0.243 0.000 2.272 198 L HA 0.493 4.833 4.340 -0.000 0.000 0.289 198 L C -0.790 176.138 176.870 0.096 0.000 1.032 198 L CA -0.160 54.760 54.840 0.134 0.000 0.810 198 L CB 1.043 43.132 42.059 0.051 0.000 1.205 198 L HN 0.446 nan 8.230 nan 0.000 0.422 199 L N 6.282 127.565 121.223 0.100 0.000 2.260 199 L HA 0.483 4.823 4.340 -0.000 0.000 0.289 199 L C -0.686 176.221 176.870 0.062 0.000 1.057 199 L CA -0.677 54.222 54.840 0.098 0.000 0.811 199 L CB 1.354 43.504 42.059 0.151 0.000 1.184 199 L HN 0.314 nan 8.230 nan 0.000 0.429 200 V N 2.774 122.715 119.914 0.045 0.000 2.417 200 V HA 0.918 5.038 4.120 -0.000 0.000 0.291 200 V C 0.385 176.497 176.094 0.030 0.000 1.024 200 V CA -0.358 61.958 62.300 0.027 0.000 0.861 200 V CB 1.393 33.224 31.823 0.014 0.000 0.985 200 V HN 0.958 nan 8.190 nan 0.000 0.436 201 G N 5.277 114.094 108.800 0.028 0.000 2.361 201 G HA2 0.475 4.435 3.960 -0.000 0.000 0.299 201 G HA3 0.475 4.435 3.960 -0.000 0.000 0.299 201 G C -3.491 171.424 174.900 0.025 0.000 1.544 201 G CA -0.868 44.248 45.100 0.027 0.000 0.860 201 G HN 0.479 nan 8.290 nan 0.000 0.610 202 P HA 0.172 nan 4.420 nan 0.000 0.267 202 P C -2.226 175.086 177.300 0.020 0.000 1.195 202 P CA -0.511 62.594 63.100 0.008 0.000 0.773 202 P CB -0.031 31.665 31.700 -0.006 0.000 0.837 203 P HA -0.018 nan 4.420 nan 0.000 0.266 203 P C 0.850 178.168 177.300 0.030 0.000 1.195 203 P CA 0.967 64.086 63.100 0.033 0.000 0.768 203 P CB 0.169 31.884 31.700 0.024 0.000 0.838 204 G N 2.570 111.400 108.800 0.051 0.000 2.184 204 G HA2 -0.309 3.651 3.960 -0.000 0.000 0.264 204 G HA3 -0.309 3.651 3.960 -0.000 0.000 0.264 204 G C 0.824 175.755 174.900 0.051 0.000 0.975 204 G CA 0.630 45.759 45.100 0.049 0.000 0.642 204 G HN 0.682 nan 8.290 nan 0.000 0.536 205 T N -1.506 113.079 114.554 0.052 0.000 3.163 205 T HA 0.388 4.738 4.350 -0.000 0.000 0.260 205 T C 2.139 176.880 174.700 0.068 0.000 1.156 205 T CA 1.409 63.542 62.100 0.055 0.000 1.072 205 T CB -0.009 68.887 68.868 0.047 0.000 0.937 205 T HN 2.261 nan 8.240 nan 0.000 0.528 206 G N 0.196 109.041 108.800 0.075 0.000 2.167 206 G HA2 -0.007 3.953 3.960 -0.000 0.000 0.194 206 G HA3 -0.007 3.953 3.960 -0.000 0.000 0.194 206 G C 0.822 175.755 174.900 0.056 0.000 1.027 206 G CA 0.009 45.150 45.100 0.068 0.000 0.717 206 G HN 0.835 nan 8.290 nan 0.000 0.501 207 A N -0.232 122.637 122.820 0.081 0.000 1.841 207 A HA 0.157 4.476 4.320 -0.000 0.000 0.214 207 A C 2.506 180.101 177.584 0.019 0.000 1.195 207 A CA 2.845 54.950 52.037 0.114 0.000 0.611 207 A CB -0.956 18.161 19.000 0.195 0.000 0.835 207 A HN 0.883 nan 8.150 nan 0.000 0.443 208 T N 0.300 114.843 114.554 -0.018 0.000 2.684 208 T HA -0.184 4.166 4.350 -0.000 0.000 0.267 208 T C 1.835 176.318 174.700 -0.361 0.000 1.036 208 T CA 1.663 63.533 62.100 -0.384 0.000 1.148 208 T CB -0.486 68.346 68.868 -0.060 0.000 0.863 208 T HN 0.283 nan 8.240 nan 0.000 0.436 209 L N 0.620 121.751 121.223 -0.153 0.000 2.129 209 L HA -0.018 4.322 4.340 -0.000 0.000 0.212 209 L C 2.109 178.897 176.870 -0.138 0.000 1.087 209 L CA 1.517 56.274 54.840 -0.138 0.000 0.757 209 L CB -0.626 41.410 42.059 -0.040 0.000 0.896 209 L HN 0.279 nan 8.230 nan 0.000 0.434 210 L N -1.397 119.784 121.223 -0.069 0.000 2.044 210 L HA -0.113 4.227 4.340 -0.000 0.000 0.205 210 L C 2.630 179.504 176.870 0.007 0.000 1.075 210 L CA 1.035 55.898 54.840 0.038 0.000 0.747 210 L CB -0.744 41.362 42.059 0.079 0.000 0.903 210 L HN 0.342 nan 8.230 nan 0.000 0.435 211 A N 0.335 123.093 122.820 -0.104 0.000 1.883 211 A HA -0.253 4.067 4.320 -0.000 0.000 0.217 211 A C 2.320 179.812 177.584 -0.153 0.000 1.186 211 A CA 1.798 53.829 52.037 -0.011 0.000 0.624 211 A CB -0.542 18.389 19.000 -0.114 0.000 0.822 211 A HN 0.342 nan 8.150 nan 0.000 0.444 212 R N -0.613 119.507 120.500 -0.633 0.000 2.120 212 R HA -0.031 4.309 4.340 -0.000 0.000 0.234 212 R C 2.427 178.402 176.300 -0.541 0.000 1.123 212 R CA 1.082 56.516 56.100 -1.110 0.000 0.975 212 R CB -0.436 29.253 30.300 -1.018 0.000 0.866 212 R HN 0.530 nan 8.270 nan 0.000 0.446 213 A N 0.704 123.324 122.820 -0.333 0.000 1.898 213 A HA -0.096 4.224 4.320 -0.000 0.000 0.216 213 A C 2.315 179.612 177.584 -0.479 0.000 1.181 213 A CA 1.261 53.090 52.037 -0.347 0.000 0.620 213 A CB -0.458 18.451 19.000 -0.153 0.000 0.819 213 A HN 0.109 nan 8.150 nan 0.000 0.442 214 V N -0.031 119.786 119.914 -0.163 0.000 2.490 214 V HA -0.251 3.869 4.120 -0.000 0.000 0.250 214 V C 2.972 179.025 176.094 -0.068 0.000 1.061 214 V CA 1.866 64.157 62.300 -0.014 0.000 1.064 214 V CB -1.310 30.650 31.823 0.227 0.000 0.670 214 V HN 0.620 nan 8.190 nan 0.000 0.461 215 A N 0.775 123.555 122.820 -0.067 0.000 1.841 215 A HA -0.039 4.280 4.320 -0.000 0.000 0.214 215 A C 2.470 179.992 177.584 -0.103 0.000 1.195 215 A CA 1.826 53.852 52.037 -0.018 0.000 0.611 215 A CB -1.377 17.658 19.000 0.057 0.000 0.835 215 A HN 0.495 nan 8.150 nan 0.000 0.443 216 G N -0.656 108.029 108.800 -0.192 0.000 2.442 216 G HA2 -0.250 3.710 3.960 -0.000 0.000 0.219 216 G HA3 -0.250 3.710 3.960 -0.000 0.000 0.219 216 G C 1.428 176.204 174.900 -0.206 0.000 1.141 216 G CA 1.398 46.381 45.100 -0.195 0.000 0.763 216 G HN 0.553 nan 8.290 nan 0.000 0.554 217 E N 0.568 120.586 120.200 -0.302 0.000 2.204 217 E HA 0.111 4.461 4.350 -0.000 0.000 0.194 217 E C 2.266 178.786 176.600 -0.133 0.000 0.989 217 E CA 1.138 57.348 56.400 -0.318 0.000 0.824 217 E CB -0.226 29.097 29.700 -0.629 0.000 0.756 217 E HN 0.336 nan 8.360 nan 0.000 0.477 218 A N -0.045 122.722 122.820 -0.087 0.000 2.390 218 A HA 0.215 4.535 4.320 -0.000 0.000 0.232 218 A C 0.422 177.984 177.584 -0.037 0.000 1.233 218 A CA 0.363 52.381 52.037 -0.031 0.000 0.907 218 A CB -0.185 18.817 19.000 0.005 0.000 0.967 218 A HN 0.249 nan 8.150 nan 0.000 0.512 219 N N -0.791 117.873 118.700 -0.059 0.000 2.671 219 N HA -0.151 4.589 4.740 -0.000 0.000 0.261 219 N C -1.037 174.452 175.510 -0.034 0.000 1.053 219 N CA 1.024 54.043 53.050 -0.051 0.000 0.732 219 N CB -1.432 37.030 38.487 -0.042 0.000 0.887 219 N HN 0.385 nan 8.380 nan 0.000 0.546 220 V N 1.772 121.668 119.914 -0.031 0.000 3.012 220 V HA 0.610 4.729 4.120 -0.000 0.000 0.307 220 V C -2.066 174.019 176.094 -0.017 0.000 1.166 220 V CA -1.542 60.751 62.300 -0.011 0.000 0.974 220 V CB 2.198 34.024 31.823 0.005 0.000 1.040 220 V HN 0.197 nan 8.190 nan 0.000 0.428 221 P HA 0.095 nan 4.420 nan 0.000 0.266 221 P C -1.414 175.768 177.300 -0.198 0.000 1.186 221 P CA 0.420 63.416 63.100 -0.174 0.000 0.767 221 P CB 0.090 31.667 31.700 -0.206 0.000 0.820 222 F N 3.419 123.082 119.950 -0.478 0.000 2.496 222 F HA 0.472 4.999 4.527 -0.000 0.000 0.341 222 F C -1.214 174.357 175.800 -0.382 0.000 1.134 222 F CA -0.931 56.879 58.000 -0.317 0.000 0.968 222 F CB 0.628 39.523 39.000 -0.175 0.000 1.205 222 F HN 0.091 nan 8.300 nan 0.000 0.436 223 F N 5.961 125.616 119.950 -0.491 0.000 2.329 223 F HA 0.220 4.747 4.527 -0.000 0.000 0.362 223 F C 0.290 175.844 175.800 -0.410 0.000 1.113 223 F CA -0.585 57.207 58.000 -0.347 0.000 1.212 223 F CB -0.029 38.793 39.000 -0.296 0.000 1.509 223 F HN 0.426 nan 8.300 nan 0.000 0.546 224 H N 5.059 124.007 119.070 -0.204 0.000 2.878 224 H HA 0.348 4.904 4.556 -0.000 0.000 0.290 224 H C -0.543 174.853 175.328 0.113 0.000 1.065 224 H CA -0.305 55.750 56.048 0.011 0.000 1.477 224 H CB 0.409 30.352 29.762 0.302 0.000 1.484 224 H HN 0.300 nan 8.280 nan 0.000 0.504 225 I N 3.073 123.952 120.570 0.515 0.000 2.608 225 I HA 0.145 4.315 4.170 -0.000 0.000 0.295 225 I C 0.363 176.703 176.117 0.372 0.000 1.049 225 I CA -0.700 60.811 61.300 0.352 0.000 1.063 225 I CB 1.676 39.817 38.000 0.235 0.000 1.248 225 I HN 0.422 nan 8.210 nan 0.000 0.424 226 S N 2.157 118.035 115.700 0.297 0.000 2.475 226 S HA 0.591 5.061 4.470 -0.000 0.000 0.298 226 S C 0.978 175.741 174.600 0.272 0.000 1.119 226 S CA -0.232 58.113 58.200 0.243 0.000 1.085 226 S CB 1.497 64.798 63.200 0.169 0.000 1.028 226 S HN 0.882 nan 8.310 nan 0.000 0.489 227 G N 1.817 110.711 108.800 0.157 0.000 2.744 227 G HA2 -0.051 3.909 3.960 -0.000 0.000 0.211 227 G HA3 -0.051 3.909 3.960 -0.000 0.000 0.211 227 G C 1.213 176.220 174.900 0.178 0.000 1.143 227 G CA 0.621 45.797 45.100 0.127 0.000 0.788 227 G HN 0.862 nan 8.290 nan 0.000 0.534 228 S N -0.025 115.767 115.700 0.154 0.000 2.558 228 S HA 0.051 4.521 4.470 -0.000 0.000 0.217 228 S C 1.263 175.931 174.600 0.113 0.000 0.975 228 S CA 0.520 58.788 58.200 0.114 0.000 0.912 228 S CB 0.208 63.453 63.200 0.076 0.000 0.776 228 S HN 0.168 nan 8.310 nan 0.000 0.526 229 D N 1.338 121.826 120.400 0.146 0.000 2.213 229 D HA 0.126 4.766 4.640 -0.000 0.000 0.205 229 D C 0.988 177.262 176.300 -0.044 0.000 0.961 229 D CA 0.647 54.654 54.000 0.011 0.000 0.853 229 D CB -0.379 40.365 40.800 -0.093 0.000 0.967 229 D HN 0.464 nan 8.370 nan 0.000 0.496 230 F N 0.984 120.945 119.950 0.018 0.000 2.502 230 F HA 0.004 4.531 4.527 -0.000 0.000 0.298 230 F C 1.101 176.910 175.800 0.015 0.000 1.111 230 F CA 0.112 58.123 58.000 0.018 0.000 1.445 230 F CB -0.255 38.755 39.000 0.017 0.000 1.081 230 F HN -0.293 nan 8.300 nan 0.000 0.558 231 V N 1.568 121.584 119.914 0.171 0.000 2.508 231 V HA 0.096 4.216 4.120 -0.000 0.000 0.281 231 V C 0.510 176.639 176.094 0.058 0.000 1.041 231 V CA -0.253 62.104 62.300 0.096 0.000 1.016 231 V CB 0.858 32.724 31.823 0.072 0.000 0.984 231 V HN 0.354 nan 8.190 nan 0.000 0.478 232 E N 1.574 121.804 120.200 0.049 0.000 4.253 232 E HA -0.150 4.200 4.350 -0.000 0.000 0.360 232 E C -0.200 176.429 176.600 0.049 0.000 0.664 232 E CA 0.337 56.760 56.400 0.038 0.000 1.432 232 E CB -1.160 28.554 29.700 0.024 0.000 1.769 232 E HN 0.609 nan 8.360 nan 0.000 0.386 233 L N 0.222 121.483 121.223 0.063 0.000 2.468 233 L HA 0.434 4.774 4.340 -0.000 0.000 0.254 233 L C 1.228 178.191 176.870 0.154 0.000 1.171 233 L CA -0.477 54.413 54.840 0.084 0.000 0.809 233 L CB 0.259 42.355 42.059 0.062 0.000 1.155 233 L HN 0.011 nan 8.230 nan 0.000 0.473 234 F N 0.085 120.032 119.950 -0.004 0.000 2.450 234 F HA 0.140 4.667 4.527 -0.000 0.000 0.339 234 F C 0.463 176.268 175.800 0.008 0.000 1.146 234 F CA -0.988 57.011 58.000 -0.001 0.000 1.267 234 F CB 1.066 40.063 39.000 -0.005 0.000 1.178 234 F HN -0.022 nan 8.300 nan 0.000 0.585 235 V N 6.051 125.640 119.914 -0.543 0.000 2.459 235 V HA 0.127 4.247 4.120 -0.000 0.000 0.255 235 V C 0.869 176.492 176.094 -0.784 0.000 1.015 235 V CA 1.649 63.586 62.300 -0.605 0.000 1.163 235 V CB -0.862 30.687 31.823 -0.458 0.000 1.109 235 V HN 1.124 nan 8.190 nan 0.000 0.473 236 G N 3.304 111.873 108.800 -0.385 0.000 2.541 236 G HA2 -0.234 3.726 3.960 -0.000 0.000 0.201 236 G HA3 -0.234 3.726 3.960 -0.000 0.000 0.201 236 G C 0.631 175.464 174.900 -0.110 0.000 1.026 236 G CA 0.055 45.002 45.100 -0.254 0.000 0.687 236 G HN 0.403 nan 8.290 nan 0.000 0.492 237 V N 2.149 122.017 119.914 -0.077 0.000 2.332 237 V HA 0.004 4.124 4.120 -0.000 0.000 0.248 237 V C 3.113 179.246 176.094 0.066 0.000 1.055 237 V CA 3.364 65.689 62.300 0.042 0.000 1.038 237 V CB -1.127 30.766 31.823 0.117 0.000 0.651 237 V HN 0.774 nan 8.190 nan 0.000 0.450 238 G N -0.348 108.508 108.800 0.094 0.000 2.491 238 G HA2 -0.280 3.680 3.960 -0.000 0.000 0.218 238 G HA3 -0.280 3.680 3.960 -0.000 0.000 0.218 238 G C 1.733 176.800 174.900 0.279 0.000 1.180 238 G CA 1.181 46.431 45.100 0.249 0.000 0.774 238 G HN 0.640 nan 8.290 nan 0.000 0.562 239 A N 0.781 123.674 122.820 0.123 0.000 1.968 239 A HA 0.412 4.732 4.320 -0.000 0.000 0.217 239 A C 2.761 180.403 177.584 0.096 0.000 1.169 239 A CA 1.933 54.021 52.037 0.085 0.000 0.638 239 A CB -0.563 18.448 19.000 0.018 0.000 0.812 239 A HN 0.768 nan 8.150 nan 0.000 0.446 240 A N -0.021 122.848 122.820 0.082 0.000 1.898 240 A HA -0.129 4.191 4.320 -0.000 0.000 0.216 240 A C 2.236 179.884 177.584 0.106 0.000 1.181 240 A CA 1.278 53.357 52.037 0.070 0.000 0.620 240 A CB -0.419 18.608 19.000 0.045 0.000 0.819 240 A HN 0.416 nan 8.150 nan 0.000 0.442 241 R N -0.263 120.327 120.500 0.150 0.000 2.082 241 R HA -0.126 4.213 4.340 -0.000 0.000 0.234 241 R C 2.148 178.622 176.300 0.290 0.000 1.136 241 R CA 1.636 57.843 56.100 0.178 0.000 0.935 241 R CB -1.445 28.913 30.300 0.096 0.000 0.842 241 R HN 0.413 nan 8.270 nan 0.000 0.430 242 V N 1.385 121.549 119.914 0.417 0.000 2.324 242 V HA -0.270 3.850 4.120 -0.000 0.000 0.250 242 V C 2.616 178.886 176.094 0.293 0.000 1.060 242 V CA 1.880 64.371 62.300 0.319 0.000 1.042 242 V CB -0.588 31.338 31.823 0.173 0.000 0.650 242 V HN 0.326 nan 8.190 nan 0.000 0.450 243 R N -0.291 120.313 120.500 0.172 0.000 2.096 243 R HA -0.221 4.119 4.340 -0.000 0.000 0.235 243 R C 2.158 178.528 176.300 0.116 0.000 1.127 243 R CA 2.040 58.211 56.100 0.118 0.000 0.968 243 R CB -0.355 29.980 30.300 0.059 0.000 0.861 243 R HN 0.681 nan 8.270 nan 0.000 0.440 244 D N -0.048 120.408 120.400 0.093 0.000 2.123 244 D HA -0.145 4.495 4.640 -0.000 0.000 0.200 244 D C 1.810 178.094 176.300 -0.027 0.000 0.976 244 D CA 0.485 54.505 54.000 0.034 0.000 0.831 244 D CB 0.079 40.894 40.800 0.026 0.000 0.974 244 D HN 0.018 nan 8.370 nan 0.000 0.469 245 L N -0.311 120.902 121.223 -0.016 0.000 1.990 245 L HA -0.122 4.218 4.340 -0.000 0.000 0.213 245 L C 1.866 178.515 176.870 -0.370 0.000 1.072 245 L CA 1.798 56.514 54.840 -0.205 0.000 0.755 245 L CB -0.992 40.976 42.059 -0.152 0.000 0.889 245 L HN 0.092 nan 8.230 nan 0.000 0.432 246 F N -0.395 119.437 119.950 -0.197 0.000 2.234 246 F HA -0.059 4.468 4.527 -0.000 0.000 0.299 246 F C 2.445 178.133 175.800 -0.186 0.000 1.087 246 F CA 1.064 58.938 58.000 -0.210 0.000 1.340 246 F CB -1.023 37.907 39.000 -0.116 0.000 1.031 246 F HN 0.200 nan 8.300 nan 0.000 0.500 247 A N -0.391 122.443 122.820 0.024 0.000 1.902 247 A HA -0.174 4.146 4.320 -0.000 0.000 0.217 247 A C 2.185 179.721 177.584 -0.079 0.000 1.181 247 A CA 1.261 53.297 52.037 -0.001 0.000 0.623 247 A CB -0.490 18.517 19.000 0.013 0.000 0.818 247 A HN 0.268 nan 8.150 nan 0.000 0.443 248 Q N -0.486 119.180 119.800 -0.224 0.000 2.167 248 Q HA -0.030 4.309 4.340 -0.000 0.000 0.202 248 Q C 2.331 178.009 176.000 -0.537 0.000 0.970 248 Q CA 1.389 56.967 55.803 -0.375 0.000 0.855 248 Q CB -0.621 27.796 28.738 -0.535 0.000 0.911 248 Q HN 0.669 nan 8.270 nan 0.000 0.438 249 A N 1.519 123.963 122.820 -0.627 0.000 1.872 249 A HA -0.149 4.171 4.320 -0.000 0.000 0.214 249 A C 2.065 179.589 177.584 -0.100 0.000 1.187 249 A CA 1.258 53.001 52.037 -0.489 0.000 0.614 249 A CB -0.254 18.413 19.000 -0.555 0.000 0.826 249 A HN 0.237 nan 8.150 nan 0.000 0.442 250 K N -0.083 120.286 120.400 -0.051 0.000 2.147 250 K HA -0.041 4.279 4.320 -0.000 0.000 0.205 250 K C 2.106 178.759 176.600 0.089 0.000 1.049 250 K CA 1.066 57.380 56.287 0.045 0.000 0.936 250 K CB -0.272 32.271 32.500 0.073 0.000 0.722 250 K HN 0.437 nan 8.250 nan 0.000 0.446 251 A N 0.809 123.709 122.820 0.134 0.000 2.014 251 A HA -0.103 4.217 4.320 -0.000 0.000 0.218 251 A C 0.931 178.659 177.584 0.241 0.000 1.163 251 A CA 1.187 53.345 52.037 0.202 0.000 0.652 251 A CB -0.283 18.876 19.000 0.265 0.000 0.808 251 A HN 0.260 nan 8.150 nan 0.000 0.449 252 H N -0.863 118.254 119.070 0.078 0.000 2.528 252 H HA 0.576 5.132 4.556 -0.000 0.000 0.282 252 H C 0.693 176.083 175.328 0.104 0.000 1.097 252 H CA -0.554 55.570 56.048 0.127 0.000 1.121 252 H CB -0.293 29.636 29.762 0.278 0.000 1.590 252 H HN 0.459 nan 8.280 nan 0.000 0.553 253 A N 1.783 124.704 122.820 0.169 0.000 2.483 253 A HA 0.340 4.660 4.320 -0.000 0.000 0.238 253 A C -1.820 175.796 177.584 0.052 0.000 1.070 253 A CA -0.955 51.141 52.037 0.098 0.000 0.770 253 A CB 0.017 19.058 19.000 0.069 0.000 1.008 253 A HN 0.112 nan 8.150 nan 0.000 0.497 254 P HA 0.470 nan 4.420 nan 0.000 0.272 254 P C -0.343 176.990 177.300 0.055 0.000 1.230 254 P CA -0.200 62.902 63.100 0.004 0.000 0.788 254 P CB 0.458 32.113 31.700 -0.074 0.000 0.949 255 C N -0.271 119.069 119.300 0.066 0.000 3.259 255 C HA 0.643 5.103 4.460 -0.000 0.000 0.344 255 C C -1.397 173.646 174.990 0.088 0.000 1.401 255 C CA -0.928 58.156 59.018 0.110 0.000 1.219 255 C CB 0.255 28.159 27.740 0.273 0.000 1.521 255 C HN 0.461 nan 8.230 nan 0.000 0.455 256 I N 1.899 122.528 120.570 0.099 0.000 2.406 256 I HA 0.540 4.710 4.170 -0.000 0.000 0.290 256 I C -0.595 175.497 176.117 -0.042 0.000 0.999 256 I CA -0.614 60.727 61.300 0.068 0.000 1.124 256 I CB 1.887 40.001 38.000 0.191 0.000 1.289 256 I HN 0.571 nan 8.210 nan 0.000 0.441 257 V N 6.941 126.797 119.914 -0.096 0.000 2.370 257 V HA 0.333 4.453 4.120 -0.000 0.000 0.283 257 V C -0.557 175.463 176.094 -0.122 0.000 1.023 257 V CA -0.535 61.646 62.300 -0.198 0.000 0.857 257 V CB 1.456 33.025 31.823 -0.424 0.000 0.985 257 V HN 0.424 nan 8.190 nan 0.000 0.443 258 F N 6.192 125.914 119.950 -0.380 0.000 2.469 258 F HA 0.697 5.224 4.527 -0.000 0.000 0.332 258 F C -0.150 175.566 175.800 -0.139 0.000 1.103 258 F CA -0.997 56.847 58.000 -0.262 0.000 0.979 258 F CB 1.475 40.226 39.000 -0.414 0.000 1.137 258 F HN 0.348 nan 8.300 nan 0.000 0.463 259 I N 5.217 125.318 120.570 -0.783 0.000 2.555 259 I HA 0.158 4.328 4.170 -0.000 0.000 0.275 259 I C -0.748 174.957 176.117 -0.686 0.000 1.082 259 I CA -0.680 60.322 61.300 -0.497 0.000 1.167 259 I CB 0.603 38.449 38.000 -0.257 0.000 1.312 259 I HN 0.465 nan 8.210 nan 0.000 0.493 260 D N 4.922 125.023 120.400 -0.499 0.000 2.399 260 D HA -0.025 4.615 4.640 -0.000 0.000 0.241 260 D C 0.743 177.002 176.300 -0.067 0.000 1.133 260 D CA 0.721 54.600 54.000 -0.203 0.000 0.890 260 D CB 0.797 41.838 40.800 0.402 0.000 1.201 260 D HN 0.565 nan 8.370 nan 0.000 0.432 261 E N 2.069 122.247 120.200 -0.037 0.000 2.252 261 E HA -0.254 4.096 4.350 -0.000 0.000 0.218 261 E C 0.788 177.345 176.600 -0.071 0.000 1.253 261 E CA 0.067 56.456 56.400 -0.019 0.000 0.705 261 E CB -1.164 28.559 29.700 0.038 0.000 1.172 261 E HN 0.629 nan 8.360 nan 0.000 0.369 262 I N 0.707 121.187 120.570 -0.150 0.000 2.567 262 I HA -0.240 3.930 4.170 -0.000 0.000 0.257 262 I C 1.896 177.925 176.117 -0.147 0.000 1.184 262 I CA 1.869 63.053 61.300 -0.192 0.000 1.451 262 I CB -0.121 37.691 38.000 -0.314 0.000 1.089 262 I HN 0.449 nan 8.210 nan 0.000 0.441 263 D N 1.197 121.531 120.400 -0.111 0.000 2.310 263 D HA -0.164 4.475 4.640 -0.000 0.000 0.212 263 D C 1.864 178.135 176.300 -0.048 0.000 0.965 263 D CA 1.063 55.015 54.000 -0.080 0.000 0.879 263 D CB -0.120 40.645 40.800 -0.059 0.000 0.921 263 D HN 0.424 nan 8.370 nan 0.000 0.510 264 A N 0.655 123.455 122.820 -0.034 0.000 2.014 264 A HA 0.027 4.347 4.320 -0.000 0.000 0.218 264 A C 2.294 179.875 177.584 -0.005 0.000 1.163 264 A CA 1.220 53.255 52.037 -0.004 0.000 0.652 264 A CB -0.268 18.745 19.000 0.022 0.000 0.808 264 A HN 0.245 nan 8.150 nan 0.000 0.449 265 V N -1.294 118.597 119.914 -0.037 0.000 3.307 265 V HA 0.318 4.437 4.120 -0.000 0.000 0.244 265 V C 1.402 177.458 176.094 -0.064 0.000 1.196 265 V CA 1.019 63.289 62.300 -0.050 0.000 1.132 265 V CB 0.163 31.916 31.823 -0.116 0.000 0.875 265 V HN 0.440 nan 8.190 nan 0.000 0.468 266 G N 1.876 110.624 108.800 -0.086 0.000 3.064 266 G HA2 0.500 4.460 3.960 -0.000 0.000 0.286 266 G HA3 0.500 4.460 3.960 -0.000 0.000 0.286 266 G C -0.039 174.826 174.900 -0.058 0.000 0.834 266 G CA -0.132 44.918 45.100 -0.083 0.000 1.856 266 G HN 0.506 nan 8.290 nan 0.000 0.559 278 D N 0.078 120.421 120.400 -0.096 0.000 2.494 278 D HA -0.043 4.596 4.640 -0.000 0.000 0.102 278 D C 1.343 177.617 176.300 -0.043 0.000 1.379 278 D CA 0.054 54.002 54.000 -0.087 0.000 1.455 278 D CB 0.089 40.798 40.800 -0.152 0.000 2.220 278 D HN 0.077 nan 8.370 nan 0.000 0.198 279 E N 0.324 120.497 120.200 -0.045 0.000 2.265 279 E HA -0.080 4.270 4.350 -0.000 0.000 0.196 279 E C 1.968 178.563 176.600 -0.008 0.000 0.996 279 E CA 1.072 57.456 56.400 -0.027 0.000 0.832 279 E CB -0.076 29.613 29.700 -0.018 0.000 0.756 279 E HN 0.282 nan 8.360 nan 0.000 0.491 280 R N 0.180 120.676 120.500 -0.007 0.000 2.193 280 R HA -0.098 4.242 4.340 -0.000 0.000 0.229 280 R C 1.765 178.063 176.300 -0.002 0.000 1.110 280 R CA 1.265 57.368 56.100 0.005 0.000 0.988 280 R CB 0.063 30.367 30.300 0.006 0.000 0.871 280 R HN 0.173 nan 8.270 nan 0.000 0.458 281 E N 0.381 120.580 120.200 -0.003 0.000 2.047 281 E HA -0.213 4.137 4.350 -0.000 0.000 0.191 281 E C 1.942 178.533 176.600 -0.014 0.000 0.987 281 E CA 1.184 57.582 56.400 -0.004 0.000 0.799 281 E CB -0.084 29.617 29.700 0.001 0.000 0.752 281 E HN 0.544 nan 8.360 nan 0.000 0.449 282 Q N 0.113 119.903 119.800 -0.017 0.000 2.061 282 Q HA -0.119 4.221 4.340 -0.000 0.000 0.204 282 Q C 2.253 178.245 176.000 -0.014 0.000 0.984 282 Q CA 1.868 57.657 55.803 -0.022 0.000 0.846 282 Q CB -0.221 28.497 28.738 -0.033 0.000 0.902 282 Q HN 0.242 nan 8.270 nan 0.000 0.421 283 T N 1.628 116.181 114.554 -0.001 0.000 2.737 283 T HA -0.134 4.216 4.350 -0.000 0.000 0.265 283 T C 1.796 176.463 174.700 -0.055 0.000 1.038 283 T CA 0.978 63.077 62.100 -0.002 0.000 1.144 283 T CB -0.280 68.611 68.868 0.039 0.000 0.866 283 T HN 0.109 nan 8.240 nan 0.000 0.434 284 L N 2.059 123.254 121.223 -0.048 0.000 2.017 284 L HA -0.017 4.323 4.340 -0.000 0.000 0.208 284 L C 1.899 178.746 176.870 -0.038 0.000 1.073 284 L CA 1.718 56.528 54.840 -0.050 0.000 0.745 284 L CB -0.872 41.167 42.059 -0.034 0.000 0.894 284 L HN 0.089 nan 8.230 nan 0.000 0.432 285 N N -0.532 118.148 118.700 -0.033 0.000 2.188 285 N HA -0.204 4.536 4.740 -0.000 0.000 0.184 285 N C 1.831 177.311 175.510 -0.051 0.000 1.018 285 N CA 1.159 54.188 53.050 -0.035 0.000 0.858 285 N CB -0.285 38.185 38.487 -0.029 0.000 0.989 285 N HN 0.437 nan 8.380 nan 0.000 0.426 286 Q N 1.056 120.826 119.800 -0.050 0.000 2.124 286 Q HA 0.028 4.368 4.340 -0.000 0.000 0.202 286 Q C 2.017 177.952 176.000 -0.108 0.000 0.977 286 Q CA 0.922 56.687 55.803 -0.064 0.000 0.850 286 Q CB -0.386 28.333 28.738 -0.031 0.000 0.901 286 Q HN 0.407 nan 8.270 nan 0.000 0.429 287 L N -0.692 120.477 121.223 -0.090 0.000 2.056 287 L HA -0.128 4.212 4.340 -0.000 0.000 0.207 287 L C 1.979 178.782 176.870 -0.110 0.000 1.078 287 L CA 0.984 55.767 54.840 -0.095 0.000 0.749 287 L CB -0.168 41.878 42.059 -0.021 0.000 0.901 287 L HN 0.324 nan 8.230 nan 0.000 0.433 288 L N -1.238 119.948 121.223 -0.062 0.000 2.127 288 L HA -0.225 4.115 4.340 -0.000 0.000 0.211 288 L C 2.364 179.171 176.870 -0.106 0.000 1.089 288 L CA 0.794 55.601 54.840 -0.056 0.000 0.757 288 L CB -0.543 41.496 42.059 -0.033 0.000 0.899 288 L HN 0.144 nan 8.230 nan 0.000 0.434 289 V N -0.808 119.030 119.914 -0.127 0.000 2.323 289 V HA -0.165 3.955 4.120 -0.000 0.000 0.244 289 V C 2.483 178.453 176.094 -0.207 0.000 1.041 289 V CA 1.372 63.589 62.300 -0.138 0.000 1.025 289 V CB -0.385 31.373 31.823 -0.109 0.000 0.656 289 V HN 0.375 nan 8.190 nan 0.000 0.451 290 E N -0.317 119.676 120.200 -0.345 0.000 2.110 290 E HA -0.189 4.161 4.350 -0.000 0.000 0.193 290 E C 2.249 178.578 176.600 -0.452 0.000 0.988 290 E CA 1.199 57.226 56.400 -0.621 0.000 0.804 290 E CB -0.324 28.520 29.700 -1.427 0.000 0.745 290 E HN 0.401 nan 8.360 nan 0.000 0.458 291 M N 1.008 120.414 119.600 -0.323 0.000 2.067 291 M HA -0.143 4.337 4.480 -0.000 0.000 0.260 291 M C 1.416 177.588 176.300 -0.214 0.000 1.069 291 M CA 1.365 56.633 55.300 -0.053 0.000 1.117 291 M CB -1.002 31.552 32.600 -0.078 0.000 1.334 291 M HN -0.048 nan 8.290 nan 0.000 0.407 292 D N -0.316 119.963 120.400 -0.203 0.000 2.348 292 D HA 0.001 4.641 4.640 -0.000 0.000 0.216 292 D C 1.939 178.106 176.300 -0.222 0.000 0.970 292 D CA 0.954 54.824 54.000 -0.218 0.000 0.889 292 D CB -0.424 40.290 40.800 -0.144 0.000 0.912 292 D HN 0.462 nan 8.370 nan 0.000 0.524 293 G N 0.724 109.413 108.800 -0.186 0.000 2.408 293 G HA2 -0.001 3.959 3.960 -0.000 0.000 0.213 293 G HA3 -0.001 3.959 3.960 -0.000 0.000 0.213 293 G C 0.580 175.440 174.900 -0.066 0.000 1.177 293 G CA -0.173 44.861 45.100 -0.110 0.000 0.802 293 G HN 0.328 nan 8.290 nan 0.000 0.533 294 F N 1.071 120.982 119.950 -0.066 0.000 2.418 294 F HA 0.544 5.071 4.527 -0.000 0.000 0.341 294 F C -0.261 175.545 175.800 0.011 0.000 1.120 294 F CA -1.970 56.032 58.000 0.003 0.000 1.232 294 F CB 0.596 39.641 39.000 0.075 0.000 1.175 294 F HN -0.097 nan 8.300 nan 0.000 0.569 295 D N 2.121 122.594 120.400 0.121 0.000 2.317 295 D HA 0.056 4.696 4.640 -0.000 0.000 0.252 295 D C 1.031 177.431 176.300 0.167 0.000 1.174 295 D CA 0.134 54.154 54.000 0.034 0.000 0.866 295 D CB 1.584 42.432 40.800 0.079 0.000 1.127 295 D HN 0.698 nan 8.370 nan 0.000 0.467 296 S N 3.560 119.263 115.700 0.004 0.000 2.419 296 S HA -0.138 4.332 4.470 -0.000 0.000 0.233 296 S C 1.474 176.268 174.600 0.324 0.000 1.016 296 S CA 1.083 59.394 58.200 0.185 0.000 0.974 296 S CB -0.023 63.177 63.200 0.000 0.000 0.786 296 S HN 0.502 nan 8.310 nan 0.000 0.492 297 K N 0.525 121.063 120.400 0.231 0.000 2.362 297 K HA -0.036 4.284 4.320 -0.000 0.000 0.200 297 K C 1.707 178.434 176.600 0.212 0.000 1.046 297 K CA 0.998 57.446 56.287 0.269 0.000 0.952 297 K CB -0.081 32.519 32.500 0.168 0.000 0.753 297 K HN 0.292 nan 8.250 nan 0.000 0.466 298 E N 0.754 121.077 120.200 0.205 0.000 2.515 298 E HA -0.079 4.271 4.350 -0.000 0.000 0.201 298 E C 0.663 177.310 176.600 0.080 0.000 1.071 298 E CA 0.670 57.154 56.400 0.141 0.000 0.880 298 E CB -0.306 29.503 29.700 0.181 0.000 0.828 298 E HN 0.388 nan 8.360 nan 0.000 0.540 299 G N 0.435 109.282 108.800 0.079 0.000 2.198 299 G HA2 -0.274 3.686 3.960 -0.000 0.000 0.257 299 G HA3 -0.274 3.686 3.960 -0.000 0.000 0.257 299 G C 0.055 174.986 174.900 0.051 0.000 1.042 299 G CA 0.362 45.386 45.100 -0.127 0.000 0.791 299 G HN 0.288 nan 8.290 nan 0.000 0.502 300 I N 0.510 121.186 120.570 0.177 0.000 2.339 300 I HA 0.559 4.729 4.170 -0.000 0.000 0.290 300 I C 0.410 176.562 176.117 0.058 0.000 0.994 300 I CA -0.844 60.470 61.300 0.023 0.000 1.191 300 I CB 1.394 39.276 38.000 -0.196 0.000 1.343 300 I HN -0.028 nan 8.210 nan 0.000 0.458 301 I N 6.521 127.102 120.570 0.018 0.000 2.498 301 I HA 0.404 4.574 4.170 -0.000 0.000 0.290 301 I C -0.645 175.462 176.117 -0.016 0.000 1.032 301 I CA -0.929 60.408 61.300 0.061 0.000 1.073 301 I CB 2.499 40.587 38.000 0.145 0.000 1.251 301 I HN 0.162 nan 8.210 nan 0.000 0.426 302 V N 6.749 126.653 119.914 -0.017 0.000 2.435 302 V HA 0.487 4.607 4.120 -0.000 0.000 0.290 302 V C 0.061 176.234 176.094 0.131 0.000 1.030 302 V CA -0.377 61.920 62.300 -0.006 0.000 0.881 302 V CB 1.630 33.427 31.823 -0.043 0.000 0.983 302 V HN 0.642 nan 8.190 nan 0.000 0.445 303 M N 3.802 123.531 119.600 0.215 0.000 2.528 303 M HA 0.834 5.314 4.480 -0.000 0.000 0.321 303 M C -0.375 176.037 176.300 0.187 0.000 1.153 303 M CA -0.486 55.003 55.300 0.315 0.000 0.951 303 M CB 2.363 35.203 32.600 0.400 0.000 1.705 303 M HN 0.709 nan 8.290 nan 0.000 0.451 304 A N 1.602 124.500 122.820 0.129 0.000 2.454 304 A HA 0.974 5.293 4.320 -0.000 0.000 0.302 304 A C -1.476 176.047 177.584 -0.101 0.000 1.079 304 A CA -0.717 51.190 52.037 -0.217 0.000 0.731 304 A CB 1.622 20.397 19.000 -0.375 0.000 1.299 304 A HN 0.872 nan 8.150 nan 0.000 0.413 305 A N 0.473 123.184 122.820 -0.180 0.000 2.331 305 A HA 0.845 5.165 4.320 -0.000 0.000 0.320 305 A C -0.341 177.219 177.584 -0.040 0.000 1.138 305 A CA -0.234 51.817 52.037 0.023 0.000 0.790 305 A CB 1.231 20.370 19.000 0.233 0.000 1.206 305 A HN 1.630 nan 8.150 nan 0.000 0.470 306 T N 1.504 116.047 114.554 -0.018 0.000 3.483 306 T HA 0.228 4.578 4.350 -0.000 0.000 0.329 306 T C 0.309 175.003 174.700 -0.010 0.000 1.014 306 T CA -0.253 61.827 62.100 -0.033 0.000 1.056 306 T CB 0.230 69.049 68.868 -0.082 0.000 1.090 306 T HN 0.777 nan 8.240 nan 0.000 0.460 307 N N 3.284 121.984 118.700 0.000 0.000 2.398 307 N HA 0.029 4.769 4.740 -0.000 0.000 0.188 307 N C 0.577 176.082 175.510 -0.008 0.000 1.122 307 N CA -0.270 52.780 53.050 0.001 0.000 0.866 307 N CB 0.309 38.800 38.487 0.008 0.000 0.970 307 N HN 0.192 nan 8.380 nan 0.000 0.462 308 R N 1.195 121.684 120.500 -0.018 0.000 3.057 308 R HA 0.352 4.692 4.340 -0.000 0.000 0.291 308 R C -2.046 174.233 176.300 -0.034 0.000 1.394 308 R CA -2.088 53.999 56.100 -0.023 0.000 1.630 308 R CB 0.793 31.079 30.300 -0.022 0.000 1.268 308 R HN 0.045 nan 8.270 nan 0.000 0.621 309 P HA 0.023 nan 4.420 nan 0.000 0.233 309 P C -0.131 177.149 177.300 -0.034 0.000 1.167 309 P CA 0.765 63.843 63.100 -0.038 0.000 0.770 309 P CB 0.493 32.179 31.700 -0.024 0.000 0.837 310 D N -1.254 119.130 120.400 -0.026 0.000 2.366 310 D HA 0.089 4.729 4.640 -0.000 0.000 0.205 310 D C 1.727 178.013 176.300 -0.024 0.000 1.022 310 D CA 0.186 54.173 54.000 -0.022 0.000 0.868 310 D CB -0.184 40.607 40.800 -0.015 0.000 0.953 310 D HN 0.191 nan 8.370 nan 0.000 0.514 311 I N 0.748 121.301 120.570 -0.027 0.000 2.928 311 I HA -0.043 4.127 4.170 -0.000 0.000 0.266 311 I C 0.366 176.462 176.117 -0.034 0.000 1.234 311 I CA 0.267 61.552 61.300 -0.026 0.000 1.483 311 I CB 0.334 38.319 38.000 -0.024 0.000 1.097 311 I HN -0.187 nan 8.210 nan 0.000 0.455 312 L N 1.269 122.463 121.223 -0.048 0.000 2.426 312 L HA 0.032 4.372 4.340 -0.000 0.000 0.271 312 L C 0.445 177.290 176.870 -0.042 0.000 1.169 312 L CA -0.160 54.643 54.840 -0.063 0.000 0.836 312 L CB 0.083 42.085 42.059 -0.096 0.000 1.112 312 L HN 0.046 nan 8.230 nan 0.000 0.465 313 D N 5.019 125.396 120.400 -0.038 0.000 2.417 313 D HA 0.019 4.659 4.640 -0.000 0.000 0.250 313 D C -1.444 174.848 176.300 -0.014 0.000 1.166 313 D CA -1.434 52.554 54.000 -0.021 0.000 0.881 313 D CB 1.511 42.301 40.800 -0.016 0.000 1.164 313 D HN 0.268 nan 8.370 nan 0.000 0.467 314 P HA -0.181 nan 4.420 nan 0.000 0.218 314 P C 0.987 178.293 177.300 0.011 0.000 1.146 314 P CA 1.080 64.180 63.100 -0.000 0.000 0.813 314 P CB 0.105 31.804 31.700 -0.003 0.000 0.778 315 A N 0.131 122.957 122.820 0.010 0.000 1.908 315 A HA -0.157 4.163 4.320 -0.000 0.000 0.218 315 A C 2.354 179.965 177.584 0.044 0.000 1.181 315 A CA 1.379 53.426 52.037 0.017 0.000 0.627 315 A CB -1.573 17.431 19.000 0.008 0.000 0.818 315 A HN 0.162 nan 8.150 nan 0.000 0.445 316 L N -0.744 120.517 121.223 0.062 0.000 2.191 316 L HA -0.131 4.209 4.340 -0.000 0.000 0.212 316 L C 2.193 179.180 176.870 0.194 0.000 1.103 316 L CA 0.771 55.703 54.840 0.153 0.000 0.769 316 L CB -0.372 41.742 42.059 0.090 0.000 0.908 316 L HN 0.373 nan 8.230 nan 0.000 0.438 317 L N -0.892 120.391 121.223 0.100 0.000 2.418 317 L HA 0.008 4.348 4.340 -0.000 0.000 0.218 317 L C 1.083 177.996 176.870 0.071 0.000 1.125 317 L CA 0.007 54.902 54.840 0.093 0.000 0.835 317 L CB -0.321 41.763 42.059 0.043 0.000 0.953 317 L HN 0.180 nan 8.230 nan 0.000 0.454 318 R N 0.962 121.492 120.500 0.051 0.000 2.679 318 R HA 0.144 4.484 4.340 -0.000 0.000 0.268 318 R C -2.162 174.146 176.300 0.013 0.000 1.044 318 R CA -1.861 54.252 56.100 0.023 0.000 1.105 318 R CB -0.570 29.735 30.300 0.010 0.000 0.989 318 R HN -0.142 nan 8.270 nan 0.000 0.447 319 P HA -0.123 nan 4.420 nan 0.000 0.266 319 P C 0.762 178.037 177.300 -0.041 0.000 1.186 319 P CA 1.119 64.208 63.100 -0.019 0.000 0.767 319 P CB 0.451 32.138 31.700 -0.022 0.000 0.820 320 G N 1.146 109.908 108.800 -0.064 0.000 2.268 320 G HA2 -0.275 3.685 3.960 -0.000 0.000 0.240 320 G HA3 -0.275 3.685 3.960 -0.000 0.000 0.240 320 G C 0.677 175.499 174.900 -0.129 0.000 1.010 320 G CA 0.317 45.354 45.100 -0.104 0.000 0.618 320 G HN 0.561 nan 8.290 nan 0.000 0.516 321 R N -1.172 119.272 120.500 -0.093 0.000 2.471 321 R HA 0.641 4.981 4.340 -0.000 0.000 0.113 321 R C -0.017 176.180 176.300 -0.171 0.000 1.392 321 R CA -0.599 55.420 56.100 -0.136 0.000 1.211 321 R CB -0.278 30.012 30.300 -0.017 0.000 1.102 321 R HN 0.059 nan 8.270 nan 0.000 0.430 322 F N 3.023 122.984 119.950 0.020 0.000 2.661 322 F HA 0.064 4.591 4.527 -0.000 0.000 0.356 322 F C 0.332 176.137 175.800 0.008 0.000 1.244 322 F CA -0.112 57.900 58.000 0.020 0.000 1.290 322 F CB -0.047 38.960 39.000 0.012 0.000 1.677 322 F HN 0.365 nan 8.300 nan 0.000 0.649 323 D N 0.495 120.955 120.400 0.100 0.000 2.525 323 D HA 0.079 4.719 4.640 -0.000 0.000 0.229 323 D C 0.041 176.372 176.300 0.053 0.000 1.202 323 D CA -0.224 53.814 54.000 0.063 0.000 0.828 323 D CB 0.191 41.002 40.800 0.018 0.000 1.008 323 D HN 0.328 nan 8.370 nan 0.000 0.493 324 K N 1.135 121.584 120.400 0.082 0.000 2.656 324 K HA 0.190 4.510 4.320 -0.000 0.000 0.253 324 K C -1.394 175.258 176.600 0.086 0.000 1.002 324 K CA -0.682 55.643 56.287 0.063 0.000 0.880 324 K CB 1.195 33.719 32.500 0.040 0.000 1.232 324 K HN 0.003 nan 8.250 nan 0.000 0.456 325 K N 5.501 125.939 120.400 0.064 0.000 2.354 325 K HA 0.339 4.659 4.320 -0.000 0.000 0.257 325 K C -0.345 176.283 176.600 0.047 0.000 1.062 325 K CA -0.585 55.739 56.287 0.061 0.000 0.971 325 K CB 0.606 33.133 32.500 0.045 0.000 1.305 325 K HN 0.382 nan 8.250 nan 0.000 0.449 326 I N 3.443 124.046 120.570 0.055 0.000 2.587 326 I HA -0.025 4.145 4.170 -0.000 0.000 0.284 326 I C -0.079 176.059 176.117 0.035 0.000 1.134 326 I CA -0.632 60.692 61.300 0.040 0.000 1.410 326 I CB 0.944 38.970 38.000 0.042 0.000 1.392 326 I HN 0.394 nan 8.210 nan 0.000 0.545 327 V N 8.161 128.089 119.914 0.022 0.000 2.408 327 V HA 0.082 4.202 4.120 -0.000 0.000 0.267 327 V C 0.331 176.435 176.094 0.016 0.000 1.047 327 V CA -0.473 61.839 62.300 0.019 0.000 0.937 327 V CB 1.177 33.008 31.823 0.012 0.000 0.999 327 V HN 0.391 nan 8.190 nan 0.000 0.472 328 V N 5.396 125.324 119.914 0.024 0.000 2.284 328 V HA 0.223 4.343 4.120 -0.000 0.000 0.260 328 V C 0.309 176.418 176.094 0.024 0.000 1.084 328 V CA -0.565 61.749 62.300 0.024 0.000 0.894 328 V CB 0.473 32.318 31.823 0.036 0.000 1.119 328 V HN 0.802 nan 8.190 nan 0.000 0.484 329 D N 5.876 126.287 120.400 0.019 0.000 2.368 329 D HA 0.231 4.870 4.640 -0.000 0.000 0.240 329 D C -2.180 174.140 176.300 0.034 0.000 1.169 329 D CA -0.962 53.052 54.000 0.025 0.000 0.906 329 D CB 1.023 41.835 40.800 0.020 0.000 1.187 329 D HN 0.272 nan 8.370 nan 0.000 0.435 330 P HA 0.167 nan 4.420 nan 0.000 0.271 330 P C -2.322 175.014 177.300 0.061 0.000 1.216 330 P CA -0.889 62.242 63.100 0.051 0.000 0.771 330 P CB -0.119 31.612 31.700 0.052 0.000 0.864 331 P HA 0.083 nan 4.420 nan 0.000 0.275 331 P C -0.456 176.888 177.300 0.074 0.000 1.228 331 P CA -0.089 63.052 63.100 0.067 0.000 0.786 331 P CB 0.625 32.368 31.700 0.070 0.000 0.927 332 D N 2.151 122.594 120.400 0.072 0.000 2.440 332 D HA 0.042 4.682 4.640 -0.000 0.000 0.269 332 D C 1.346 177.673 176.300 0.046 0.000 1.249 332 D CA -0.456 53.588 54.000 0.073 0.000 1.055 332 D CB -0.105 40.757 40.800 0.102 0.000 1.104 332 D HN 0.265 nan 8.370 nan 0.000 0.561 333 M N -0.341 119.276 119.600 0.029 0.000 2.086 333 M HA -0.063 4.416 4.480 -0.000 0.000 0.261 333 M C 1.600 177.905 176.300 0.008 0.000 1.067 333 M CA 1.647 56.950 55.300 0.005 0.000 1.116 333 M CB -0.987 31.606 32.600 -0.012 0.000 1.348 333 M HN 0.434 nan 8.290 nan 0.000 0.407 334 L N -0.069 121.165 121.223 0.018 0.000 2.056 334 L HA -0.016 4.323 4.340 -0.000 0.000 0.207 334 L C 2.677 179.560 176.870 0.022 0.000 1.078 334 L CA 1.204 56.053 54.840 0.016 0.000 0.749 334 L CB -1.592 40.479 42.059 0.020 0.000 0.901 334 L HN 0.619 nan 8.230 nan 0.000 0.433 335 G N 0.162 108.981 108.800 0.032 0.000 2.513 335 G HA2 -0.301 3.659 3.960 -0.000 0.000 0.219 335 G HA3 -0.301 3.659 3.960 -0.000 0.000 0.219 335 G C 1.705 176.632 174.900 0.044 0.000 1.160 335 G CA 0.817 45.941 45.100 0.039 0.000 0.767 335 G HN 0.321 nan 8.290 nan 0.000 0.571 336 R N 0.120 120.644 120.500 0.040 0.000 2.115 336 R HA 0.043 4.382 4.340 -0.000 0.000 0.230 336 R C 2.518 178.833 176.300 0.024 0.000 1.111 336 R CA 1.107 57.232 56.100 0.041 0.000 0.976 336 R CB -0.245 30.070 30.300 0.025 0.000 0.870 336 R HN 0.345 nan 8.270 nan 0.000 0.445 337 K N 1.090 121.493 120.400 0.006 0.000 2.057 337 K HA -0.161 4.159 4.320 -0.000 0.000 0.207 337 K C 1.633 178.238 176.600 0.009 0.000 1.049 337 K CA 1.296 57.579 56.287 -0.008 0.000 0.931 337 K CB 0.208 32.700 32.500 -0.014 0.000 0.714 337 K HN -0.080 nan 8.250 nan 0.000 0.440 338 K N 0.942 121.355 120.400 0.022 0.000 2.001 338 K HA -0.099 4.221 4.320 -0.000 0.000 0.208 338 K C 2.149 178.781 176.600 0.053 0.000 1.048 338 K CA 1.296 57.600 56.287 0.028 0.000 0.932 338 K CB -0.605 31.913 32.500 0.029 0.000 0.715 338 K HN 0.265 nan 8.250 nan 0.000 0.437 339 I N 1.254 121.874 120.570 0.083 0.000 2.185 339 I HA -0.304 3.866 4.170 -0.000 0.000 0.246 339 I C 2.304 178.547 176.117 0.210 0.000 1.088 339 I CA 1.259 62.656 61.300 0.163 0.000 1.347 339 I CB -0.402 37.704 38.000 0.177 0.000 1.041 339 I HN 0.028 nan 8.210 nan 0.000 0.415 340 L N 0.142 121.439 121.223 0.124 0.000 2.201 340 L HA -0.168 4.172 4.340 -0.000 0.000 0.212 340 L C 2.456 179.375 176.870 0.081 0.000 1.105 340 L CA 1.211 56.115 54.840 0.107 0.000 0.775 340 L CB -0.429 41.643 42.059 0.022 0.000 0.913 340 L HN 0.288 nan 8.230 nan 0.000 0.440 341 E N 0.166 120.393 120.200 0.045 0.000 2.076 341 E HA -0.150 4.199 4.350 -0.000 0.000 0.190 341 E C 2.281 178.891 176.600 0.018 0.000 0.979 341 E CA 0.931 57.343 56.400 0.021 0.000 0.807 341 E CB 0.003 29.704 29.700 0.003 0.000 0.761 341 E HN 0.462 nan 8.360 nan 0.000 0.454 342 I N 1.208 121.779 120.570 0.002 0.000 2.179 342 I HA -0.255 3.915 4.170 -0.000 0.000 0.242 342 I C 2.085 178.123 176.117 -0.132 0.000 1.088 342 I CA 1.196 62.444 61.300 -0.088 0.000 1.357 342 I CB -0.378 37.533 38.000 -0.148 0.000 1.051 342 I HN 0.204 nan 8.210 nan 0.000 0.409 343 H N -0.799 118.296 119.070 0.042 0.000 2.547 343 H HA 0.051 4.607 4.556 -0.000 0.000 0.266 343 H C 1.775 177.144 175.328 0.068 0.000 0.988 343 H CA 0.642 56.722 56.048 0.053 0.000 1.147 343 H CB 0.250 30.051 29.762 0.066 0.000 1.365 343 H HN 0.239 nan 8.280 nan 0.000 0.589 344 T N -0.245 114.397 114.554 0.147 0.000 3.037 344 T HA 0.047 4.397 4.350 -0.000 0.000 0.251 344 T C 2.033 176.778 174.700 0.075 0.000 1.079 344 T CA -0.155 62.022 62.100 0.128 0.000 1.067 344 T CB 0.411 69.340 68.868 0.102 0.000 0.948 344 T HN 0.333 nan 8.240 nan 0.000 0.496 345 R N 1.852 122.376 120.500 0.039 0.000 2.112 345 R HA -0.046 4.294 4.340 -0.000 0.000 0.242 345 R C 0.639 176.953 176.300 0.023 0.000 1.137 345 R CA 1.240 57.350 56.100 0.017 0.000 0.944 345 R CB -0.348 29.946 30.300 -0.010 0.000 0.857 345 R HN 0.290 nan 8.270 nan 0.000 0.435 346 N N 1.461 120.178 118.700 0.028 0.000 2.802 346 N HA 0.067 4.807 4.740 -0.000 0.000 0.288 346 N C -0.661 174.875 175.510 0.043 0.000 1.268 346 N CA 0.448 53.515 53.050 0.028 0.000 1.035 346 N CB 0.538 39.038 38.487 0.021 0.000 1.353 346 N HN 0.058 nan 8.380 nan 0.000 0.522 347 K N 0.420 120.853 120.400 0.054 0.000 2.464 347 K HA 0.415 4.735 4.320 -0.000 0.000 0.253 347 K C -2.702 173.937 176.600 0.064 0.000 0.933 347 K CA -1.589 54.738 56.287 0.066 0.000 0.801 347 K CB 2.249 34.811 32.500 0.102 0.000 1.271 347 K HN -0.171 nan 8.250 nan 0.000 0.430 348 P HA 0.255 nan 4.420 nan 0.000 0.244 348 P C -0.470 176.875 177.300 0.075 0.000 1.769 348 P CA -0.188 62.944 63.100 0.052 0.000 1.102 348 P CB -0.064 31.658 31.700 0.038 0.000 1.937 349 L N 1.321 122.597 121.223 0.087 0.000 2.326 349 L HA 0.512 4.852 4.340 -0.000 0.000 0.278 349 L C 1.103 178.018 176.870 0.075 0.000 1.092 349 L CA -0.941 53.968 54.840 0.115 0.000 0.810 349 L CB 0.764 42.884 42.059 0.102 0.000 1.153 349 L HN 0.211 nan 8.230 nan 0.000 0.439 350 A N 2.597 125.468 122.820 0.085 0.000 2.366 350 A HA 0.138 4.458 4.320 -0.000 0.000 0.250 350 A C 0.761 178.367 177.584 0.035 0.000 1.099 350 A CA -0.183 51.887 52.037 0.055 0.000 0.794 350 A CB 0.172 19.208 19.000 0.061 0.000 1.056 350 A HN 0.876 nan 8.150 nan 0.000 0.499 351 E N -0.416 119.797 120.200 0.022 0.000 2.476 351 E HA -0.042 4.308 4.350 -0.000 0.000 0.191 351 E C -0.241 176.360 176.600 0.002 0.000 1.064 351 E CA 0.509 56.914 56.400 0.008 0.000 0.866 351 E CB 0.147 29.851 29.700 0.006 0.000 0.952 351 E HN 0.745 nan 8.360 nan 0.000 0.492 352 D N -0.615 119.791 120.400 0.009 0.000 2.398 352 D HA -0.026 4.614 4.640 -0.000 0.000 0.210 352 D C 0.257 176.553 176.300 -0.007 0.000 1.094 352 D CA -0.127 53.876 54.000 0.005 0.000 0.839 352 D CB 0.131 40.941 40.800 0.017 0.000 0.963 352 D HN -0.171 nan 8.370 nan 0.000 0.506 353 V N 2.128 122.026 119.914 -0.027 0.000 2.387 353 V HA 0.108 4.228 4.120 -0.000 0.000 0.260 353 V C 0.329 176.336 176.094 -0.145 0.000 1.054 353 V CA -0.581 61.656 62.300 -0.104 0.000 0.967 353 V CB 0.217 31.951 31.823 -0.149 0.000 1.036 353 V HN 0.191 nan 8.190 nan 0.000 0.481 354 N N 5.309 123.928 118.700 -0.136 0.000 2.558 354 N HA 0.269 5.009 4.740 -0.000 0.000 0.233 354 N C 0.826 176.237 175.510 -0.166 0.000 1.038 354 N CA -0.209 52.771 53.050 -0.117 0.000 0.934 354 N CB 1.144 39.594 38.487 -0.060 0.000 1.175 354 N HN 0.611 nan 8.380 nan 0.000 0.512 355 L N 1.864 122.978 121.223 -0.182 0.000 2.191 355 L HA -0.122 4.218 4.340 -0.000 0.000 0.212 355 L C 2.106 178.900 176.870 -0.127 0.000 1.103 355 L CA 0.993 55.716 54.840 -0.195 0.000 0.769 355 L CB -0.099 41.865 42.059 -0.158 0.000 0.908 355 L HN 0.589 nan 8.230 nan 0.000 0.438 356 E N 1.065 121.211 120.200 -0.090 0.000 2.077 356 E HA -0.221 4.129 4.350 -0.000 0.000 0.193 356 E C 2.296 178.854 176.600 -0.069 0.000 0.989 356 E CA 1.184 57.545 56.400 -0.065 0.000 0.800 356 E CB -0.011 29.663 29.700 -0.043 0.000 0.746 356 E HN 0.440 nan 8.360 nan 0.000 0.452 357 I N 0.752 121.281 120.570 -0.068 0.000 2.226 357 I HA -0.261 3.909 4.170 -0.000 0.000 0.245 357 I C 2.284 178.333 176.117 -0.112 0.000 1.100 357 I CA 0.954 62.217 61.300 -0.061 0.000 1.374 357 I CB -0.167 37.828 38.000 -0.008 0.000 1.057 357 I HN 0.244 nan 8.210 nan 0.000 0.413 358 I N 0.652 121.143 120.570 -0.131 0.000 2.286 358 I HA -0.269 3.901 4.170 -0.000 0.000 0.248 358 I C 2.789 178.802 176.117 -0.173 0.000 1.115 358 I CA 1.156 62.361 61.300 -0.158 0.000 1.392 358 I CB -0.511 37.379 38.000 -0.182 0.000 1.065 358 I HN 0.181 nan 8.210 nan 0.000 0.418 359 A N 1.076 123.816 122.820 -0.135 0.000 1.877 359 A HA -0.232 4.088 4.320 -0.000 0.000 0.216 359 A C 2.332 179.848 177.584 -0.113 0.000 1.186 359 A CA 1.707 53.678 52.037 -0.110 0.000 0.620 359 A CB -0.464 18.495 19.000 -0.068 0.000 0.822 359 A HN 0.303 nan 8.150 nan 0.000 0.443 360 K N -0.630 119.709 120.400 -0.101 0.000 2.147 360 K HA -0.060 4.259 4.320 -0.000 0.000 0.205 360 K C 1.707 178.233 176.600 -0.123 0.000 1.049 360 K CA 1.121 57.353 56.287 -0.091 0.000 0.936 360 K CB -0.118 32.340 32.500 -0.071 0.000 0.722 360 K HN 0.344 nan 8.250 nan 0.000 0.446 361 R N 0.707 121.101 120.500 -0.178 0.000 2.325 361 R HA -0.006 4.334 4.340 -0.000 0.000 0.214 361 R C 0.516 176.655 176.300 -0.269 0.000 0.961 361 R CA 0.921 56.892 56.100 -0.214 0.000 1.086 361 R CB 0.077 30.216 30.300 -0.267 0.000 1.037 361 R HN 0.207 nan 8.270 nan 0.000 0.493 362 T N -2.556 111.820 114.554 -0.297 0.000 3.487 362 T HA 0.244 4.594 4.350 -0.000 0.000 0.287 362 T C -2.693 171.971 174.700 -0.061 0.000 1.004 362 T CA -1.654 60.134 62.100 -0.521 0.000 0.977 362 T CB 0.618 68.876 68.868 -1.018 0.000 1.180 362 T HN -0.127 nan 8.240 nan 0.000 0.490 363 P HA 0.358 nan 4.420 nan 0.000 0.265 363 P C 1.303 178.717 177.300 0.190 0.000 1.193 363 P CA 1.291 64.440 63.100 0.082 0.000 0.765 363 P CB 0.334 32.053 31.700 0.032 0.000 0.823 364 G N 1.776 110.675 108.800 0.165 0.000 2.241 364 G HA2 -0.265 3.695 3.960 -0.000 0.000 0.244 364 G HA3 -0.265 3.695 3.960 -0.000 0.000 0.244 364 G C 0.135 175.126 174.900 0.152 0.000 0.998 364 G CA -0.562 44.619 45.100 0.135 0.000 0.621 364 G HN 0.442 nan 8.290 nan 0.000 0.519 365 F N 1.339 121.289 119.950 0.001 0.000 2.563 365 F HA 0.419 4.946 4.527 -0.000 0.000 0.363 365 F C 1.427 177.231 175.800 0.006 0.000 1.123 365 F CA 0.248 58.248 58.000 0.000 0.000 1.307 365 F CB 0.986 39.986 39.000 -0.000 0.000 1.115 365 F HN 0.335 nan 8.300 nan 0.000 0.592 366 V N 0.830 120.803 119.914 0.099 0.000 3.352 366 V HA 0.697 4.817 4.120 -0.000 0.000 0.299 366 V C 1.019 177.161 176.094 0.079 0.000 1.228 366 V CA 0.016 62.360 62.300 0.073 0.000 1.017 366 V CB 0.659 32.496 31.823 0.024 0.000 1.237 366 V HN 0.771 nan 8.190 nan 0.000 0.472 367 G N -0.636 108.201 108.800 0.062 0.000 2.421 367 G HA2 -0.105 3.855 3.960 -0.000 0.000 0.216 367 G HA3 -0.105 3.855 3.960 -0.000 0.000 0.216 367 G C 1.484 176.371 174.900 -0.023 0.000 1.171 367 G CA 1.476 46.613 45.100 0.061 0.000 0.775 367 G HN 1.411 nan 8.290 nan 0.000 0.543 368 A N 1.152 123.960 122.820 -0.019 0.000 1.873 368 A HA -0.031 4.289 4.320 -0.000 0.000 0.215 368 A C 2.092 179.640 177.584 -0.060 0.000 1.186 368 A CA 2.045 54.049 52.037 -0.054 0.000 0.616 368 A CB -0.493 18.493 19.000 -0.025 0.000 0.823 368 A HN 0.285 nan 8.150 nan 0.000 0.442 369 D N 0.334 120.705 120.400 -0.048 0.000 2.133 369 D HA -0.192 4.448 4.640 -0.000 0.000 0.192 369 D C 1.859 178.243 176.300 0.140 0.000 1.001 369 D CA 1.452 55.421 54.000 -0.053 0.000 0.844 369 D CB -0.461 40.178 40.800 -0.270 0.000 0.944 369 D HN 0.469 nan 8.370 nan 0.000 0.447 370 L N 0.456 121.771 121.223 0.154 0.000 2.156 370 L HA -0.084 4.255 4.340 -0.000 0.000 0.208 370 L C 2.482 179.335 176.870 -0.028 0.000 1.095 370 L CA 0.760 55.682 54.840 0.138 0.000 0.770 370 L CB -0.262 41.862 42.059 0.109 0.000 0.914 370 L HN 0.040 nan 8.230 nan 0.000 0.439 371 E N 0.514 120.567 120.200 -0.245 0.000 2.047 371 E HA -0.254 4.096 4.350 -0.000 0.000 0.191 371 E C 1.896 178.432 176.600 -0.106 0.000 0.987 371 E CA 1.145 57.322 56.400 -0.372 0.000 0.799 371 E CB 0.058 29.402 29.700 -0.593 0.000 0.752 371 E HN 0.320 nan 8.360 nan 0.000 0.449 372 N N 0.547 119.214 118.700 -0.057 0.000 2.309 372 N HA -0.149 4.591 4.740 -0.000 0.000 0.182 372 N C 1.818 177.339 175.510 0.018 0.000 1.018 372 N CA 0.545 53.586 53.050 -0.015 0.000 0.876 372 N CB -0.194 38.283 38.487 -0.017 0.000 0.972 372 N HN 0.216 nan 8.380 nan 0.000 0.434 373 L N 0.156 121.422 121.223 0.072 0.000 2.027 373 L HA -0.042 4.298 4.340 -0.000 0.000 0.206 373 L C 1.992 178.873 176.870 0.019 0.000 1.074 373 L CA 1.404 56.306 54.840 0.104 0.000 0.745 373 L CB -0.796 41.382 42.059 0.199 0.000 0.898 373 L HN -0.033 nan 8.230 nan 0.000 0.433 374 V N 0.167 120.111 119.914 0.050 0.000 2.407 374 V HA -0.282 3.838 4.120 -0.000 0.000 0.248 374 V C 2.388 178.429 176.094 -0.088 0.000 1.055 374 V CA 1.876 64.180 62.300 0.006 0.000 1.049 374 V CB -1.151 30.763 31.823 0.152 0.000 0.662 374 V HN 0.576 nan 8.190 nan 0.000 0.455 375 N N 0.247 118.923 118.700 -0.040 0.000 2.084 375 N HA -0.185 4.555 4.740 -0.000 0.000 0.190 375 N C 1.891 177.356 175.510 -0.075 0.000 1.030 375 N CA 1.422 54.445 53.050 -0.044 0.000 0.849 375 N CB -0.109 38.367 38.487 -0.019 0.000 1.012 375 N HN 0.375 nan 8.380 nan 0.000 0.423 376 E N 0.057 120.214 120.200 -0.072 0.000 2.110 376 E HA -0.140 4.210 4.350 -0.000 0.000 0.193 376 E C 1.841 178.359 176.600 -0.137 0.000 0.988 376 E CA 1.023 57.377 56.400 -0.077 0.000 0.804 376 E CB -0.427 29.247 29.700 -0.045 0.000 0.745 376 E HN 0.513 nan 8.360 nan 0.000 0.458 377 A N 1.221 123.892 122.820 -0.248 0.000 1.969 377 A HA -0.016 4.304 4.320 -0.000 0.000 0.218 377 A C 2.375 179.775 177.584 -0.307 0.000 1.169 377 A CA 1.687 53.478 52.037 -0.410 0.000 0.635 377 A CB -0.355 18.042 19.000 -1.006 0.000 0.810 377 A HN 0.260 nan 8.150 nan 0.000 0.445 378 A N -0.004 122.681 122.820 -0.225 0.000 1.855 378 A HA -0.003 4.317 4.320 -0.000 0.000 0.215 378 A C 2.106 179.641 177.584 -0.082 0.000 1.191 378 A CA 1.360 53.323 52.037 -0.124 0.000 0.613 378 A CB -0.673 18.282 19.000 -0.076 0.000 0.829 378 A HN 0.445 nan 8.150 nan 0.000 0.442 379 L N -0.912 120.268 121.223 -0.072 0.000 2.129 379 L HA -0.202 4.138 4.340 -0.000 0.000 0.212 379 L C 2.544 179.385 176.870 -0.047 0.000 1.087 379 L CA 1.132 55.943 54.840 -0.049 0.000 0.757 379 L CB -0.497 41.536 42.059 -0.042 0.000 0.896 379 L HN 0.463 nan 8.230 nan 0.000 0.434 380 L N -0.212 120.971 121.223 -0.066 0.000 2.072 380 L HA -0.030 4.310 4.340 -0.000 0.000 0.205 380 L C 2.578 179.421 176.870 -0.045 0.000 1.079 380 L CA 1.896 56.703 54.840 -0.054 0.000 0.752 380 L CB -0.704 41.314 42.059 -0.068 0.000 0.906 380 L HN 0.102 nan 8.230 nan 0.000 0.436 381 A N -0.294 122.491 122.820 -0.058 0.000 1.873 381 A HA -0.048 4.272 4.320 -0.000 0.000 0.215 381 A C 2.428 179.999 177.584 -0.023 0.000 1.186 381 A CA 1.607 53.623 52.037 -0.036 0.000 0.616 381 A CB -1.215 17.762 19.000 -0.039 0.000 0.823 381 A HN 0.521 nan 8.150 nan 0.000 0.442 382 A N -0.493 122.311 122.820 -0.026 0.000 2.076 382 A HA -0.185 4.135 4.320 -0.000 0.000 0.220 382 A C 2.191 179.767 177.584 -0.014 0.000 1.160 382 A CA 1.735 53.762 52.037 -0.017 0.000 0.653 382 A CB -0.484 18.505 19.000 -0.018 0.000 0.801 382 A HN 0.557 nan 8.150 nan 0.000 0.455 383 R N -0.230 120.260 120.500 -0.016 0.000 2.193 383 R HA -0.015 4.325 4.340 -0.000 0.000 0.213 383 R C 0.599 176.895 176.300 -0.008 0.000 1.055 383 R CA 1.186 57.279 56.100 -0.012 0.000 0.995 383 R CB -0.020 30.271 30.300 -0.014 0.000 0.893 383 R HN 0.586 nan 8.270 nan 0.000 0.459 384 E N -0.573 119.622 120.200 -0.008 0.000 2.585 384 E HA 0.137 4.487 4.350 -0.000 0.000 0.206 384 E C -0.193 176.406 176.600 -0.002 0.000 1.007 384 E CA 0.140 56.538 56.400 -0.004 0.000 1.028 384 E CB 1.162 30.860 29.700 -0.002 0.000 1.087 384 E HN 0.479 nan 8.360 nan 0.000 0.455 385 G N 2.668 111.466 108.800 -0.003 0.000 2.393 385 G HA2 -0.339 3.621 3.960 -0.000 0.000 0.299 385 G HA3 -0.339 3.621 3.960 -0.000 0.000 0.299 385 G C -0.070 174.830 174.900 0.001 0.000 0.990 385 G CA 0.580 45.679 45.100 -0.001 0.000 1.118 385 G HN 0.182 nan 8.290 nan 0.000 0.513 386 R N -0.734 119.766 120.500 -0.000 0.000 2.832 386 R HA 0.502 4.842 4.340 -0.000 0.000 0.271 386 R C 0.686 176.988 176.300 0.004 0.000 0.996 386 R CA -0.380 55.722 56.100 0.003 0.000 0.977 386 R CB 0.972 31.275 30.300 0.005 0.000 1.168 386 R HN 0.248 nan 8.270 nan 0.000 0.482 387 D N 0.244 120.649 120.400 0.009 0.000 2.392 387 D HA 0.000 4.640 4.640 -0.000 0.000 0.206 387 D C -0.381 175.929 176.300 0.018 0.000 1.046 387 D CA 0.442 54.448 54.000 0.011 0.000 0.865 387 D CB 0.459 41.266 40.800 0.011 0.000 0.969 387 D HN 0.199 nan 8.370 nan 0.000 0.509 388 K N 0.789 121.202 120.400 0.022 0.000 2.244 388 K HA 0.482 4.802 4.320 -0.000 0.000 0.260 388 K C -0.254 176.371 176.600 0.041 0.000 0.951 388 K CA -0.710 55.599 56.287 0.037 0.000 0.826 388 K CB 2.675 35.198 32.500 0.039 0.000 1.108 388 K HN -0.047 nan 8.250 nan 0.000 0.433 389 I N 3.673 124.280 120.570 0.062 0.000 2.347 389 I HA -0.015 4.155 4.170 -0.000 0.000 0.294 389 I C 1.114 177.329 176.117 0.163 0.000 1.090 389 I CA -0.200 61.140 61.300 0.067 0.000 1.314 389 I CB 0.119 38.144 38.000 0.041 0.000 1.423 389 I HN 0.716 nan 8.210 nan 0.000 0.503 390 T N 2.118 116.744 114.554 0.121 0.000 2.754 390 T HA 0.141 4.491 4.350 -0.000 0.000 0.286 390 T C 0.821 175.663 174.700 0.237 0.000 0.997 390 T CA -0.667 61.518 62.100 0.140 0.000 0.982 390 T CB 1.174 70.091 68.868 0.081 0.000 1.027 390 T HN 0.570 nan 8.240 nan 0.000 0.529 391 M N 0.153 119.856 119.600 0.171 0.000 2.319 391 M HA 0.186 4.666 4.480 -0.000 0.000 0.265 391 M C 1.908 178.315 176.300 0.179 0.000 1.068 391 M CA 1.500 56.909 55.300 0.182 0.000 1.118 391 M CB -0.768 31.882 32.600 0.084 0.000 1.395 391 M HN 0.660 nan 8.290 nan 0.000 0.435 392 K N -0.166 120.307 120.400 0.122 0.000 2.288 392 K HA -0.093 4.227 4.320 -0.000 0.000 0.201 392 K C 1.212 177.861 176.600 0.082 0.000 1.048 392 K CA 1.118 57.462 56.287 0.094 0.000 0.956 392 K CB -0.145 32.391 32.500 0.060 0.000 0.746 392 K HN 0.366 nan 8.250 nan 0.000 0.461 393 D N 0.494 120.938 120.400 0.073 0.000 2.123 393 D HA -0.100 4.540 4.640 -0.000 0.000 0.200 393 D C 1.648 177.916 176.300 -0.054 0.000 0.976 393 D CA 1.056 55.043 54.000 -0.022 0.000 0.831 393 D CB -0.223 40.522 40.800 -0.093 0.000 0.974 393 D HN 0.078 nan 8.370 nan 0.000 0.469 394 F N 1.595 121.552 119.950 0.012 0.000 2.146 394 F HA -0.075 4.452 4.527 -0.000 0.000 0.298 394 F C 2.443 178.241 175.800 -0.003 0.000 1.096 394 F CA 1.053 59.054 58.000 0.002 0.000 1.275 394 F CB -0.018 38.980 39.000 -0.005 0.000 1.008 394 F HN -0.064 nan 8.300 nan 0.000 0.480 395 E N -0.315 120.002 120.200 0.194 0.000 2.152 395 E HA -0.160 4.190 4.350 -0.000 0.000 0.192 395 E C 2.007 178.660 176.600 0.088 0.000 0.983 395 E CA 0.755 57.229 56.400 0.123 0.000 0.818 395 E CB -0.188 29.597 29.700 0.142 0.000 0.758 395 E HN 0.415 nan 8.360 nan 0.000 0.467 396 E N 0.442 120.685 120.200 0.071 0.000 2.268 396 E HA -0.108 4.242 4.350 -0.000 0.000 0.195 396 E C 1.869 178.485 176.600 0.027 0.000 0.995 396 E CA 0.626 57.055 56.400 0.049 0.000 0.836 396 E CB 0.124 29.844 29.700 0.033 0.000 0.763 396 E HN 0.184 nan 8.360 nan 0.000 0.491 397 A N 1.062 123.890 122.820 0.013 0.000 1.874 397 A HA -0.057 4.263 4.320 -0.000 0.000 0.214 397 A C 2.217 179.826 177.584 0.040 0.000 1.189 397 A CA 0.485 52.522 52.037 -0.001 0.000 0.615 397 A CB -0.447 18.515 19.000 -0.062 0.000 0.830 397 A HN 0.105 nan 8.150 nan 0.000 0.443 398 I N 0.386 120.986 120.570 0.051 0.000 2.118 398 I HA -0.299 3.871 4.170 -0.000 0.000 0.241 398 I C 1.859 178.010 176.117 0.058 0.000 1.070 398 I CA 1.768 63.100 61.300 0.054 0.000 1.327 398 I CB -0.654 37.332 38.000 -0.024 0.000 1.034 398 I HN 0.255 nan 8.210 nan 0.000 0.405 399 D N 0.669 121.090 120.400 0.034 0.000 2.149 399 D HA -0.171 4.469 4.640 -0.000 0.000 0.198 399 D C 2.325 178.619 176.300 -0.011 0.000 0.990 399 D CA 1.288 55.290 54.000 0.004 0.000 0.839 399 D CB -0.257 40.565 40.800 0.036 0.000 0.948 399 D HN 0.341 nan 8.370 nan 0.000 0.460 400 R N -0.122 120.385 120.500 0.011 0.000 2.200 400 R HA 0.051 4.391 4.340 -0.000 0.000 0.208 400 R C 2.235 178.540 176.300 0.009 0.000 1.033 400 R CA 0.119 56.221 56.100 0.002 0.000 1.000 400 R CB 0.183 30.486 30.300 0.004 0.000 0.906 400 R HN 0.053 nan 8.270 nan 0.000 0.462 401 V N 0.709 120.647 119.914 0.040 0.000 2.407 401 V HA -0.150 3.970 4.120 -0.000 0.000 0.245 401 V C 2.023 178.139 176.094 0.037 0.000 1.041 401 V CA 1.503 63.836 62.300 0.054 0.000 1.040 401 V CB -0.165 31.743 31.823 0.141 0.000 0.671 401 V HN 0.225 nan 8.190 nan 0.000 0.455 402 I N 0.323 120.927 120.570 0.056 0.000 2.260 402 I HA -0.027 4.142 4.170 -0.000 0.000 0.237 402 I C 2.271 178.368 176.117 -0.033 0.000 1.075 402 I CA 1.474 62.790 61.300 0.026 0.000 1.376 402 I CB -0.395 37.638 38.000 0.056 0.000 1.107 402 I HN 0.237 nan 8.210 nan 0.000 0.420 403 A N 0.382 123.158 122.820 -0.074 0.000 2.308 403 A HA 0.488 4.808 4.320 -0.000 0.000 0.217 403 A C 1.048 178.579 177.584 -0.088 0.000 1.216 403 A CA 0.463 52.427 52.037 -0.121 0.000 0.864 403 A CB -0.609 18.233 19.000 -0.262 0.000 0.902 403 A HN 0.570 nan 8.150 nan 0.000 0.499 404 G N -0.382 108.386 108.800 -0.053 0.000 2.828 404 G HA2 -0.083 3.877 3.960 -0.000 0.000 0.463 404 G HA3 -0.083 3.877 3.960 -0.000 0.000 0.463 404 G C -3.093 171.792 174.900 -0.025 0.000 1.394 404 G CA -0.495 44.585 45.100 -0.034 0.000 0.862 404 G HN 0.254 nan 8.290 nan 0.000 0.540 405 P HA 0.470 nan 4.420 nan 0.000 0.272 405 P C 0.153 177.460 177.300 0.011 0.000 1.223 405 P CA 0.584 63.685 63.100 0.002 0.000 0.784 405 P CB 0.611 32.312 31.700 0.002 0.000 0.923 406 A N 3.323 126.159 122.820 0.026 0.000 2.444 406 A HA 0.115 4.435 4.320 -0.000 0.000 0.273 406 A C 0.393 177.996 177.584 0.033 0.000 1.136 406 A CA -0.280 51.783 52.037 0.044 0.000 0.799 406 A CB -0.577 18.456 19.000 0.055 0.000 1.081 406 A HN 0.390 nan 8.150 nan 0.000 0.509 407 R N 2.683 123.204 120.500 0.034 0.000 2.878 407 R HA 0.203 4.543 4.340 -0.000 0.000 0.239 407 R C 1.398 177.713 176.300 0.025 0.000 1.515 407 R CA 0.438 56.553 56.100 0.025 0.000 1.210 407 R CB 0.069 30.382 30.300 0.022 0.000 1.209 407 R HN 0.780 nan 8.270 nan 0.000 0.610 408 K N 0.790 121.203 120.400 0.022 0.000 2.365 408 K HA -0.100 4.220 4.320 -0.000 0.000 0.199 408 K C 1.866 178.475 176.600 0.015 0.000 1.045 408 K CA 1.546 57.844 56.287 0.020 0.000 0.962 408 K CB -0.034 32.477 32.500 0.018 0.000 0.759 408 K HN 0.414 nan 8.250 nan 0.000 0.469 409 S N -0.029 115.678 115.700 0.013 0.000 2.387 409 S HA 0.012 4.482 4.470 -0.000 0.000 0.226 409 S C 0.695 175.301 174.600 0.010 0.000 1.026 409 S CA 0.033 58.239 58.200 0.010 0.000 0.972 409 S CB -0.362 62.843 63.200 0.008 0.000 0.814 409 S HN 0.410 nan 8.310 nan 0.000 0.477 410 L N 2.900 124.130 121.223 0.012 0.000 2.700 410 L HA 0.155 4.494 4.340 -0.000 0.000 0.272 410 L C -0.201 176.675 176.870 0.011 0.000 1.176 410 L CA 0.400 55.247 54.840 0.011 0.000 0.961 410 L CB -0.093 41.974 42.059 0.015 0.000 1.249 410 L HN 0.369 nan 8.230 nan 0.000 0.487 411 L N 6.731 127.959 121.223 0.008 0.000 2.283 411 L HA 0.454 4.794 4.340 -0.000 0.000 0.287 411 L C -0.258 176.616 176.870 0.006 0.000 1.073 411 L CA 0.416 55.260 54.840 0.007 0.000 0.822 411 L CB 0.125 42.188 42.059 0.006 0.000 1.186 411 L HN 0.373 nan 8.230 nan 0.000 0.436 412 I N 4.360 124.934 120.570 0.007 0.000 2.404 412 I HA 0.342 4.512 4.170 -0.000 0.000 0.293 412 I C 0.461 176.581 176.117 0.005 0.000 0.992 412 I CA -0.728 60.575 61.300 0.004 0.000 1.149 412 I CB 1.805 39.808 38.000 0.006 0.000 1.315 412 I HN 0.737 nan 8.210 nan 0.000 0.446 413 S N 5.474 121.175 115.700 0.002 0.000 2.563 413 S HA 0.129 4.598 4.470 -0.000 0.000 0.284 413 S C -1.921 172.685 174.600 0.009 0.000 1.331 413 S CA -0.817 57.385 58.200 0.004 0.000 1.047 413 S CB 0.544 63.744 63.200 0.000 0.000 0.859 413 S HN 0.426 nan 8.310 nan 0.000 0.514 414 P HA -0.045 nan 4.420 nan 0.000 0.219 414 P C 1.492 178.814 177.300 0.036 0.000 1.146 414 P CA 1.660 64.777 63.100 0.028 0.000 0.808 414 P CB -0.184 31.535 31.700 0.031 0.000 0.779 415 A N 0.021 122.856 122.820 0.024 0.000 1.873 415 A HA -0.208 4.112 4.320 -0.000 0.000 0.215 415 A C 2.171 179.744 177.584 -0.019 0.000 1.186 415 A CA 1.500 53.547 52.037 0.016 0.000 0.616 415 A CB -1.164 17.836 19.000 -0.000 0.000 0.823 415 A HN 0.140 nan 8.150 nan 0.000 0.442 416 E N -0.258 119.926 120.200 -0.027 0.000 2.153 416 E HA -0.171 4.179 4.350 -0.000 0.000 0.194 416 E C 2.006 178.596 176.600 -0.017 0.000 0.988 416 E CA 1.184 57.558 56.400 -0.043 0.000 0.811 416 E CB -0.101 29.579 29.700 -0.033 0.000 0.746 416 E HN 0.570 nan 8.360 nan 0.000 0.466 417 K N 0.295 120.700 120.400 0.009 0.000 2.103 417 K HA -0.042 4.278 4.320 -0.000 0.000 0.204 417 K C 2.206 178.843 176.600 0.061 0.000 1.052 417 K CA 0.368 56.671 56.287 0.026 0.000 0.945 417 K CB 0.057 32.571 32.500 0.023 0.000 0.722 417 K HN -0.088 nan 8.250 nan 0.000 0.443 418 R N 1.120 121.677 120.500 0.095 0.000 2.091 418 R HA -0.068 4.272 4.340 -0.000 0.000 0.238 418 R C 2.091 178.578 176.300 0.312 0.000 1.136 418 R CA 1.324 57.553 56.100 0.216 0.000 0.959 418 R CB -0.386 30.084 30.300 0.283 0.000 0.856 418 R HN 0.263 nan 8.270 nan 0.000 0.437 419 I N 0.074 120.704 120.570 0.100 0.000 2.277 419 I HA -0.218 3.952 4.170 -0.000 0.000 0.243 419 I C 2.242 178.447 176.117 0.147 0.000 1.094 419 I CA 0.853 62.155 61.300 0.003 0.000 1.393 419 I CB -0.216 37.602 38.000 -0.305 0.000 1.078 419 I HN 0.051 nan 8.210 nan 0.000 0.417 420 I N 1.053 121.667 120.570 0.073 0.000 2.335 420 I HA -0.309 3.861 4.170 -0.000 0.000 0.251 420 I C 2.767 178.968 176.117 0.140 0.000 1.129 420 I CA 1.348 62.697 61.300 0.081 0.000 1.402 420 I CB -0.493 37.520 38.000 0.022 0.000 1.069 420 I HN 0.205 nan 8.210 nan 0.000 0.424 421 A N 0.093 122.982 122.820 0.115 0.000 1.898 421 A HA -0.211 4.109 4.320 -0.000 0.000 0.216 421 A C 2.171 179.796 177.584 0.068 0.000 1.181 421 A CA 1.327 53.394 52.037 0.049 0.000 0.620 421 A CB -0.930 18.051 19.000 -0.032 0.000 0.819 421 A HN 0.375 nan 8.150 nan 0.000 0.442 422 Y N -1.110 119.295 120.300 0.175 0.000 2.200 422 Y HA -0.223 4.327 4.550 -0.000 0.000 0.290 422 Y C 2.464 178.458 175.900 0.156 0.000 1.137 422 Y CA 1.926 60.133 58.100 0.178 0.000 1.163 422 Y CB -0.467 38.169 38.460 0.294 0.000 0.988 422 Y HN 0.629 nan 8.280 nan 0.000 0.518 423 H N 0.113 119.341 119.070 0.263 0.000 2.265 423 H HA -0.194 4.362 4.556 -0.000 0.000 0.295 423 H C 2.102 177.522 175.328 0.154 0.000 1.084 423 H CA 2.301 58.445 56.048 0.160 0.000 1.261 423 H CB 0.146 29.994 29.762 0.144 0.000 1.360 423 H HN 0.119 nan 8.280 nan 0.000 0.487 424 E N 0.110 120.504 120.200 0.323 0.000 2.072 424 E HA -0.090 4.259 4.350 -0.000 0.000 0.191 424 E C 2.448 179.129 176.600 0.135 0.000 0.985 424 E CA 0.898 57.456 56.400 0.263 0.000 0.801 424 E CB -0.631 29.157 29.700 0.147 0.000 0.750 424 E HN 0.615 nan 8.360 nan 0.000 0.452 425 A N 1.114 123.973 122.820 0.066 0.000 1.940 425 A HA -0.102 4.218 4.320 -0.000 0.000 0.219 425 A C 2.447 180.048 177.584 0.029 0.000 1.176 425 A CA 1.950 53.996 52.037 0.016 0.000 0.631 425 A CB -1.087 17.886 19.000 -0.046 0.000 0.814 425 A HN 0.332 nan 8.150 nan 0.000 0.446 426 G N -0.970 107.845 108.800 0.025 0.000 2.480 426 G HA2 -0.304 3.656 3.960 -0.000 0.000 0.216 426 G HA3 -0.304 3.656 3.960 -0.000 0.000 0.216 426 G C 1.495 176.355 174.900 -0.067 0.000 1.200 426 G CA 1.148 46.222 45.100 -0.042 0.000 0.782 426 G HN 0.648 nan 8.290 nan 0.000 0.554 427 H N 0.977 120.027 119.070 -0.033 0.000 2.289 427 H HA -0.157 4.399 4.556 -0.000 0.000 0.294 427 H C 2.986 178.326 175.328 0.021 0.000 1.095 427 H CA 1.721 57.773 56.048 0.006 0.000 1.256 427 H CB -0.673 29.113 29.762 0.040 0.000 1.359 427 H HN 0.388 nan 8.280 nan 0.000 0.487 428 A N 0.650 123.550 122.820 0.133 0.000 1.858 428 A HA -0.123 4.197 4.320 -0.000 0.000 0.216 428 A C 2.951 180.529 177.584 -0.009 0.000 1.190 428 A CA 1.889 53.948 52.037 0.036 0.000 0.617 428 A CB -0.970 18.022 19.000 -0.014 0.000 0.827 428 A HN 0.215 nan 8.150 nan 0.000 0.443 429 V N -0.369 119.527 119.914 -0.031 0.000 2.287 429 V HA -0.252 3.868 4.120 -0.000 0.000 0.248 429 V C 2.585 178.618 176.094 -0.102 0.000 1.053 429 V CA 2.125 64.367 62.300 -0.096 0.000 1.027 429 V CB -0.847 30.929 31.823 -0.078 0.000 0.646 429 V HN 0.368 nan 8.190 nan 0.000 0.447 430 V N -0.743 119.149 119.914 -0.036 0.000 2.358 430 V HA -0.246 3.873 4.120 -0.000 0.000 0.246 430 V C 2.651 178.748 176.094 0.005 0.000 1.047 430 V CA 2.276 64.565 62.300 -0.019 0.000 1.035 430 V CB -0.592 31.234 31.823 0.004 0.000 0.658 430 V HN 0.581 nan 8.190 nan 0.000 0.452 431 S N -0.512 115.220 115.700 0.054 0.000 2.359 431 S HA -0.246 4.224 4.470 -0.000 0.000 0.224 431 S C 2.117 176.745 174.600 0.048 0.000 1.035 431 S CA 2.458 60.716 58.200 0.096 0.000 1.018 431 S CB -0.373 62.951 63.200 0.208 0.000 0.876 431 S HN 0.715 nan 8.310 nan 0.000 0.448 432 T N 1.222 115.771 114.554 -0.008 0.000 2.746 432 T HA -0.033 4.317 4.350 -0.000 0.000 0.267 432 T C 1.785 176.439 174.700 -0.077 0.000 1.039 432 T CA 1.487 63.558 62.100 -0.049 0.000 1.142 432 T CB -0.333 68.478 68.868 -0.096 0.000 0.866 432 T HN 0.264 nan 8.240 nan 0.000 0.444 433 V N 0.918 120.754 119.914 -0.131 0.000 2.871 433 V HA 0.051 4.170 4.120 -0.000 0.000 0.256 433 V C 1.215 177.282 176.094 -0.044 0.000 1.082 433 V CA 0.451 62.658 62.300 -0.154 0.000 1.105 433 V CB -0.248 31.395 31.823 -0.300 0.000 0.713 433 V HN 0.223 nan 8.190 nan 0.000 0.473 434 V N 1.896 121.798 119.914 -0.020 0.000 2.555 434 V HA 0.106 4.226 4.120 -0.000 0.000 0.286 434 V C -0.730 175.371 176.094 0.011 0.000 1.044 434 V CA -0.867 61.438 62.300 0.008 0.000 1.026 434 V CB 1.411 33.246 31.823 0.019 0.000 0.981 434 V HN 0.334 nan 8.190 nan 0.000 0.480 435 P HA -0.142 nan 4.420 nan 0.000 0.215 435 P C 0.979 178.289 177.300 0.016 0.000 1.163 435 P CA 1.480 64.589 63.100 0.015 0.000 0.894 435 P CB 0.103 31.814 31.700 0.017 0.000 0.791 436 N N -1.029 117.681 118.700 0.017 0.000 2.336 436 N HA 0.039 4.779 4.740 -0.000 0.000 0.189 436 N C 1.021 176.542 175.510 0.018 0.000 1.113 436 N CA 0.279 53.338 53.050 0.015 0.000 0.858 436 N CB -0.171 38.322 38.487 0.011 0.000 0.970 436 N HN 0.106 nan 8.380 nan 0.000 0.471 437 G N 1.194 110.011 108.800 0.029 0.000 2.265 437 G HA2 -0.109 3.851 3.960 -0.000 0.000 0.240 437 G HA3 -0.109 3.851 3.960 -0.000 0.000 0.240 437 G C 0.006 174.946 174.900 0.065 0.000 1.270 437 G CA -0.078 45.053 45.100 0.050 0.000 0.901 437 G HN 0.212 nan 8.290 nan 0.000 0.507 438 E N 3.141 123.383 120.200 0.071 0.000 2.415 438 E HA 0.071 4.421 4.350 -0.000 0.000 0.260 438 E C -1.813 174.944 176.600 0.261 0.000 1.016 438 E CA -1.252 55.221 56.400 0.122 0.000 0.924 438 E CB 0.525 30.267 29.700 0.069 0.000 0.961 438 E HN 0.218 nan 8.360 nan 0.000 0.459 439 P HA -0.126 nan 4.420 nan 0.000 0.264 439 P C -0.875 176.443 177.300 0.029 0.000 1.179 439 P CA 0.069 63.217 63.100 0.079 0.000 0.763 439 P CB 0.425 32.154 31.700 0.048 0.000 0.806 440 V N 3.108 122.959 119.914 -0.105 0.000 2.637 440 V HA -0.022 4.098 4.120 -0.000 0.000 0.296 440 V C 1.539 177.561 176.094 -0.120 0.000 1.046 440 V CA 0.589 62.714 62.300 -0.291 0.000 1.066 440 V CB 0.508 32.186 31.823 -0.241 0.000 0.968 440 V HN 0.698 nan 8.190 nan 0.000 0.483 441 H N 3.997 122.953 119.070 -0.190 0.000 2.476 441 H HA 0.383 4.938 4.556 -0.000 0.000 0.292 441 H C 0.901 176.186 175.328 -0.072 0.000 1.019 441 H CA 0.725 56.721 56.048 -0.087 0.000 1.330 441 H CB 0.445 30.182 29.762 -0.041 0.000 1.451 441 H HN 0.640 nan 8.280 nan 0.000 0.535 442 R N 0.098 120.582 120.500 -0.027 0.000 2.728 442 R HA 0.248 4.588 4.340 -0.000 0.000 0.259 442 R C -2.179 174.086 176.300 -0.059 0.000 1.057 442 R CA -0.643 55.425 56.100 -0.053 0.000 0.908 442 R CB 0.653 30.970 30.300 0.028 0.000 1.259 442 R HN 0.049 nan 8.270 nan 0.000 0.472 443 I N 2.158 122.669 120.570 -0.098 0.000 2.404 443 I HA 0.455 4.625 4.170 -0.000 0.000 0.293 443 I C -0.154 175.836 176.117 -0.212 0.000 0.992 443 I CA -0.475 60.742 61.300 -0.138 0.000 1.149 443 I CB 1.370 39.309 38.000 -0.101 0.000 1.315 443 I HN 0.584 nan 8.210 nan 0.000 0.446 444 S N 4.740 120.185 115.700 -0.425 0.000 2.521 444 S HA 0.590 5.060 4.470 -0.000 0.000 0.295 444 S C 0.110 174.448 174.600 -0.437 0.000 1.098 444 S CA -0.328 57.579 58.200 -0.488 0.000 0.999 444 S CB 1.366 64.156 63.200 -0.682 0.000 1.034 444 S HN 0.398 nan 8.310 nan 0.000 0.483 445 I N 4.217 124.662 120.570 -0.209 0.000 4.018 445 I HA 0.423 4.593 4.170 -0.000 0.000 0.337 445 I C -0.155 175.938 176.117 -0.039 0.000 1.327 445 I CA -0.132 61.107 61.300 -0.101 0.000 1.100 445 I CB -0.005 37.962 38.000 -0.054 0.000 1.025 445 I HN 0.613 nan 8.210 nan 0.000 0.396 446 I N 3.199 123.751 120.570 -0.029 0.000 2.337 446 I HA 0.199 4.369 4.170 -0.000 0.000 0.291 446 I C -1.886 174.329 176.117 0.163 0.000 1.046 446 I CA -1.743 59.594 61.300 0.061 0.000 1.324 446 I CB 0.386 38.431 38.000 0.076 0.000 1.409 446 I HN -0.088 nan 8.210 nan 0.000 0.494 447 P HA 0.107 nan 4.420 nan 0.000 0.270 447 P C -0.707 176.672 177.300 0.132 0.000 1.221 447 P CA -0.245 62.930 63.100 0.125 0.000 0.788 447 P CB 0.450 32.189 31.700 0.066 0.000 0.904 448 R N 0.395 120.945 120.500 0.083 0.000 3.090 448 R HA 0.495 4.835 4.340 -0.000 0.000 0.279 448 R C -0.163 176.126 176.300 -0.019 0.000 1.462 448 R CA 0.522 56.633 56.100 0.018 0.000 1.044 448 R CB 0.295 30.559 30.300 -0.061 0.000 1.365 448 R HN 0.830 nan 8.270 nan 0.000 0.399 449 G N 0.602 109.396 108.800 -0.010 0.000 2.698 449 G HA2 -0.236 3.724 3.960 -0.000 0.000 0.233 449 G HA3 -0.236 3.724 3.960 -0.000 0.000 0.233 449 G C -0.172 174.723 174.900 -0.009 0.000 1.352 449 G CA -0.177 44.914 45.100 -0.016 0.000 0.879 449 G HN 1.149 nan 8.290 nan 0.000 0.567 450 Y N -0.158 120.135 120.300 -0.012 0.000 2.781 450 Y HA 0.515 5.065 4.550 -0.000 0.000 0.365 450 Y C 1.723 177.621 175.900 -0.004 0.000 1.291 450 Y CA 1.185 59.281 58.100 -0.007 0.000 1.772 450 Y CB -1.630 36.825 38.460 -0.009 0.000 1.361 450 Y HN 2.570 nan 8.280 nan 0.000 0.484 451 K N 0.760 121.161 120.400 0.002 0.000 5.934 451 K HA 0.323 4.643 4.320 -0.000 0.000 0.500 451 K C -0.078 176.530 176.600 0.012 0.000 1.231 451 K CA 1.014 57.305 56.287 0.006 0.000 1.388 451 K CB -1.941 30.560 32.500 0.002 0.000 1.841 451 K HN 2.904 nan 8.250 nan 0.000 0.357 452 A N 2.237 125.074 122.820 0.028 0.000 3.277 452 A HA 0.572 4.892 4.320 -0.000 0.000 0.281 452 A C 0.858 178.512 177.584 0.116 0.000 1.179 452 A CA 0.070 52.141 52.037 0.057 0.000 0.879 452 A CB 0.209 19.220 19.000 0.018 0.000 1.374 452 A HN 1.116 nan 8.150 nan 0.000 0.590 453 L N 0.359 121.632 121.223 0.084 0.000 2.551 453 L HA 0.290 4.630 4.340 -0.000 0.000 0.228 453 L C 1.260 178.192 176.870 0.104 0.000 1.153 453 L CA 1.130 56.016 54.840 0.076 0.000 0.851 453 L CB -0.123 41.949 42.059 0.021 0.000 0.959 453 L HN 0.704 nan 8.230 nan 0.000 0.451 454 G N -1.152 107.754 108.800 0.176 0.000 2.523 454 G HA2 0.537 4.497 3.960 -0.000 0.000 0.291 454 G HA3 0.537 4.497 3.960 -0.000 0.000 0.291 454 G C -2.044 173.026 174.900 0.283 0.000 1.450 454 G CA -0.403 44.766 45.100 0.114 0.000 0.790 454 G HN -0.006 nan 8.290 nan 0.000 0.496 455 Y N -2.901 117.435 120.300 0.061 0.000 2.687 455 Y HA 0.726 5.276 4.550 -0.000 0.000 0.338 455 Y C -0.849 175.077 175.900 0.044 0.000 1.189 455 Y CA -1.368 56.759 58.100 0.044 0.000 1.097 455 Y CB 0.973 39.453 38.460 0.033 0.000 1.342 455 Y HN 0.536 nan 8.280 nan 0.000 0.461 456 T N 3.992 118.628 114.554 0.137 0.000 2.912 456 T HA 0.516 4.866 4.350 -0.000 0.000 0.326 456 T C -0.452 174.329 174.700 0.136 0.000 1.080 456 T CA -0.570 61.565 62.100 0.058 0.000 1.000 456 T CB 0.176 69.067 68.868 0.038 0.000 1.008 456 T HN 0.620 nan 8.240 nan 0.000 0.473 457 L N 4.043 125.347 121.223 0.135 0.000 2.439 457 L HA 0.379 4.718 4.340 -0.000 0.000 0.269 457 L C 0.841 177.724 176.870 0.022 0.000 1.179 457 L CA -0.393 54.542 54.840 0.159 0.000 0.828 457 L CB 0.365 42.541 42.059 0.195 0.000 1.106 457 L HN 0.524 nan 8.230 nan 0.000 0.467 458 H N 2.277 121.389 119.070 0.070 0.000 2.710 458 H HA 0.445 5.001 4.556 -0.000 0.000 0.361 458 H C -1.054 174.289 175.328 0.024 0.000 1.175 458 H CA -0.833 55.250 56.048 0.060 0.000 1.206 458 H CB 2.842 32.620 29.762 0.027 0.000 1.750 458 H HN 0.250 nan 8.280 nan 0.000 0.553 459 L N 3.573 124.888 121.223 0.154 0.000 2.366 459 L HA 0.285 4.625 4.340 -0.000 0.000 0.266 459 L C -2.079 174.827 176.870 0.059 0.000 1.010 459 L CA -1.873 53.008 54.840 0.068 0.000 0.879 459 L CB 1.188 43.334 42.059 0.145 0.000 1.228 459 L HN 0.328 nan 8.230 nan 0.000 0.439 460 P HA -0.291 nan 4.420 nan 0.000 0.212 460 P C 0.206 177.505 177.300 -0.002 0.000 1.128 460 P CA 2.163 65.262 63.100 -0.001 0.000 0.961 460 P CB 0.032 31.713 31.700 -0.032 0.000 0.782 461 E N -1.966 118.228 120.200 -0.010 0.000 2.805 461 E HA -0.346 4.003 4.350 -0.000 0.000 0.266 461 E C 0.179 176.768 176.600 -0.019 0.000 1.092 461 E CA 1.336 57.731 56.400 -0.008 0.000 0.781 461 E CB -1.829 27.875 29.700 0.006 0.000 1.379 461 E HN 0.515 nan 8.360 nan 0.000 0.433 462 E N -0.090 120.087 120.200 -0.038 0.000 3.332 462 E HA 0.361 4.711 4.350 -0.000 0.000 0.315 462 E C -0.081 176.466 176.600 -0.089 0.000 0.803 462 E CA 0.099 56.462 56.400 -0.062 0.000 1.261 462 E CB 0.028 29.680 29.700 -0.080 0.000 2.649 462 E HN 0.045 nan 8.360 nan 0.000 0.554 463 D N 0.424 120.727 120.400 -0.163 0.000 3.061 463 D HA -0.078 4.561 4.640 -0.000 0.000 0.252 463 D C -1.417 174.638 176.300 -0.408 0.000 1.080 463 D CA 0.533 54.355 54.000 -0.296 0.000 0.871 463 D CB -0.807 39.924 40.800 -0.114 0.000 1.018 463 D HN 0.234 nan 8.370 nan 0.000 0.425 464 K N 0.354 120.495 120.400 -0.433 0.000 2.138 464 K HA 0.479 4.799 4.320 -0.000 0.000 0.263 464 K C 0.363 176.665 176.600 -0.496 0.000 0.965 464 K CA -0.612 55.479 56.287 -0.326 0.000 0.868 464 K CB 1.158 33.572 32.500 -0.143 0.000 1.083 464 K HN 0.142 nan 8.250 nan 0.000 0.443 465 Y N 0.899 121.202 120.300 0.005 0.000 2.527 465 Y HA 0.274 4.824 4.550 -0.000 0.000 0.247 465 Y C 0.006 175.910 175.900 0.005 0.000 1.138 465 Y CA -0.383 57.721 58.100 0.005 0.000 1.228 465 Y CB 0.859 39.323 38.460 0.005 0.000 1.252 465 Y HN 0.217 nan 8.280 nan 0.000 0.531 466 L N 0.076 121.362 121.223 0.106 0.000 2.354 466 L HA 0.749 5.089 4.340 -0.000 0.000 0.264 466 L C -1.273 175.615 176.870 0.029 0.000 1.008 466 L CA -1.247 53.633 54.840 0.067 0.000 0.819 466 L CB 2.960 45.058 42.059 0.066 0.000 1.339 466 L HN -0.323 nan 8.230 nan 0.000 0.420 467 V N 1.109 121.038 119.914 0.024 0.000 2.686 467 V HA 0.582 4.701 4.120 -0.000 0.000 0.306 467 V C -0.218 175.886 176.094 0.016 0.000 1.065 467 V CA -0.215 62.093 62.300 0.013 0.000 0.894 467 V CB 2.365 34.192 31.823 0.006 0.000 1.004 467 V HN 0.905 nan 8.190 nan 0.000 0.424 468 S N 6.017 121.726 115.700 0.014 0.000 2.693 468 S HA 0.464 4.933 4.470 -0.000 0.000 0.276 468 S C 1.030 175.640 174.600 0.016 0.000 1.192 468 S CA 0.088 58.297 58.200 0.016 0.000 0.994 468 S CB 1.465 64.674 63.200 0.015 0.000 1.012 468 S HN 0.937 nan 8.310 nan 0.000 0.550 469 R N 0.615 121.126 120.500 0.017 0.000 2.073 469 R HA -0.053 4.287 4.340 -0.000 0.000 0.229 469 R C 1.353 177.664 176.300 0.018 0.000 1.120 469 R CA 1.439 57.550 56.100 0.019 0.000 0.967 469 R CB -0.560 29.752 30.300 0.020 0.000 0.862 469 R HN 0.717 nan 8.270 nan 0.000 0.436 470 N N 1.005 119.715 118.700 0.017 0.000 2.289 470 N HA -0.153 4.587 4.740 -0.000 0.000 0.184 470 N C 1.279 176.799 175.510 0.015 0.000 1.016 470 N CA 1.270 54.330 53.050 0.017 0.000 0.872 470 N CB -0.050 38.447 38.487 0.016 0.000 0.973 470 N HN 0.442 nan 8.380 nan 0.000 0.433 471 E N 0.379 120.586 120.200 0.013 0.000 2.072 471 E HA -0.028 4.322 4.350 -0.000 0.000 0.191 471 E C 1.944 178.549 176.600 0.008 0.000 0.985 471 E CA 0.525 56.930 56.400 0.008 0.000 0.801 471 E CB -0.007 29.695 29.700 0.004 0.000 0.750 471 E HN 0.287 nan 8.360 nan 0.000 0.452 472 L N 0.341 121.571 121.223 0.012 0.000 2.056 472 L HA -0.173 4.166 4.340 -0.000 0.000 0.207 472 L C 2.316 179.198 176.870 0.020 0.000 1.078 472 L CA 0.329 55.177 54.840 0.014 0.000 0.749 472 L CB -0.284 41.785 42.059 0.017 0.000 0.901 472 L HN 0.178 nan 8.230 nan 0.000 0.433 473 L N 0.100 121.337 121.223 0.022 0.000 1.990 473 L HA -0.279 4.061 4.340 -0.000 0.000 0.213 473 L C 2.242 179.130 176.870 0.030 0.000 1.072 473 L CA 1.863 56.719 54.840 0.027 0.000 0.755 473 L CB -0.985 41.089 42.059 0.025 0.000 0.889 473 L HN 0.250 nan 8.230 nan 0.000 0.432 474 D N -0.872 119.543 120.400 0.025 0.000 2.117 474 D HA -0.212 4.428 4.640 -0.000 0.000 0.197 474 D C 2.217 178.535 176.300 0.030 0.000 0.987 474 D CA 1.092 55.108 54.000 0.027 0.000 0.829 474 D CB -0.049 40.764 40.800 0.021 0.000 0.961 474 D HN 0.309 nan 8.370 nan 0.000 0.460 475 K N 0.404 120.816 120.400 0.020 0.000 2.057 475 K HA -0.070 4.249 4.320 -0.000 0.000 0.206 475 K C 2.242 178.863 176.600 0.036 0.000 1.050 475 K CA 0.514 56.809 56.287 0.013 0.000 0.935 475 K CB -0.193 32.303 32.500 -0.008 0.000 0.715 475 K HN 0.091 nan 8.250 nan 0.000 0.439 476 L N 0.824 122.070 121.223 0.040 0.000 2.017 476 L HA -0.191 4.149 4.340 -0.000 0.000 0.208 476 L C 2.078 178.992 176.870 0.073 0.000 1.073 476 L CA 1.739 56.611 54.840 0.053 0.000 0.745 476 L CB -0.417 41.669 42.059 0.045 0.000 0.894 476 L HN 0.314 nan 8.230 nan 0.000 0.432 477 T N -0.141 114.453 114.554 0.066 0.000 2.684 477 T HA -0.242 4.108 4.350 -0.000 0.000 0.267 477 T C 1.854 176.603 174.700 0.081 0.000 1.036 477 T CA 1.427 63.571 62.100 0.072 0.000 1.148 477 T CB -0.457 68.442 68.868 0.052 0.000 0.863 477 T HN 0.533 nan 8.240 nan 0.000 0.436 478 A N 1.065 123.938 122.820 0.088 0.000 1.933 478 A HA 0.031 4.351 4.320 -0.000 0.000 0.218 478 A C 2.333 180.059 177.584 0.237 0.000 1.175 478 A CA 1.113 53.230 52.037 0.133 0.000 0.628 478 A CB -0.869 18.207 19.000 0.126 0.000 0.814 478 A HN 0.485 nan 8.150 nan 0.000 0.444 479 L N -0.855 120.485 121.223 0.195 0.000 2.083 479 L HA -0.159 4.181 4.340 -0.000 0.000 0.209 479 L C 2.151 179.149 176.870 0.214 0.000 1.083 479 L CA 1.051 56.042 54.840 0.252 0.000 0.752 479 L CB -0.384 41.760 42.059 0.142 0.000 0.899 479 L HN 0.378 nan 8.230 nan 0.000 0.433 480 L N -1.033 120.263 121.223 0.123 0.000 2.554 480 L HA 0.044 4.384 4.340 -0.000 0.000 0.226 480 L C 2.500 179.380 176.870 0.017 0.000 1.137 480 L CA 0.382 55.291 54.840 0.115 0.000 0.863 480 L CB -0.781 41.419 42.059 0.233 0.000 0.985 480 L HN 0.218 nan 8.230 nan 0.000 0.451 481 G N 0.513 109.245 108.800 -0.114 0.000 2.442 481 G HA2 -0.225 3.735 3.960 -0.000 0.000 0.219 481 G HA3 -0.225 3.735 3.960 -0.000 0.000 0.219 481 G C 1.574 176.177 174.900 -0.496 0.000 1.141 481 G CA 0.826 45.784 45.100 -0.238 0.000 0.763 481 G HN 0.463 nan 8.290 nan 0.000 0.554 482 G N 0.724 108.874 108.800 -1.083 0.000 2.480 482 G HA2 -0.243 3.717 3.960 -0.000 0.000 0.216 482 G HA3 -0.243 3.717 3.960 -0.000 0.000 0.216 482 G C 1.872 176.455 174.900 -0.527 0.000 1.200 482 G CA 1.250 45.547 45.100 -1.339 0.000 0.782 482 G HN 0.442 nan 8.290 nan 0.000 0.554 483 R N 1.162 121.564 120.500 -0.165 0.000 2.083 483 R HA 0.048 4.388 4.340 -0.000 0.000 0.237 483 R C 2.828 179.255 176.300 0.212 0.000 1.137 483 R CA 1.925 58.097 56.100 0.120 0.000 0.951 483 R CB -1.072 29.310 30.300 0.137 0.000 0.851 483 R HN 0.272 nan 8.270 nan 0.000 0.434 484 A N 0.247 123.194 122.820 0.212 0.000 1.892 484 A HA -0.169 4.151 4.320 -0.000 0.000 0.218 484 A C 2.408 179.986 177.584 -0.010 0.000 1.188 484 A CA 2.283 54.334 52.037 0.022 0.000 0.631 484 A CB -1.268 17.667 19.000 -0.109 0.000 0.822 484 A HN 0.517 nan 8.150 nan 0.000 0.447 485 A N -0.408 122.408 122.820 -0.008 0.000 1.877 485 A HA -0.194 4.126 4.320 -0.000 0.000 0.216 485 A C 1.929 179.569 177.584 0.093 0.000 1.186 485 A CA 1.690 53.750 52.037 0.038 0.000 0.620 485 A CB -0.649 18.398 19.000 0.078 0.000 0.822 485 A HN 0.649 nan 8.150 nan 0.000 0.443 486 E N -0.728 119.580 120.200 0.179 0.000 2.085 486 E HA -0.251 4.099 4.350 -0.000 0.000 0.194 486 E C 2.098 178.834 176.600 0.227 0.000 0.994 486 E CA 1.413 57.991 56.400 0.297 0.000 0.801 486 E CB -0.158 29.691 29.700 0.248 0.000 0.743 486 E HN 0.832 nan 8.360 nan 0.000 0.453 487 E N 0.631 120.919 120.200 0.148 0.000 2.046 487 E HA -0.148 4.202 4.350 -0.000 0.000 0.190 487 E C 2.189 178.809 176.600 0.033 0.000 0.982 487 E CA 0.961 57.430 56.400 0.114 0.000 0.800 487 E CB 0.209 30.000 29.700 0.153 0.000 0.756 487 E HN 0.029 nan 8.360 nan 0.000 0.449 488 V N 0.614 120.514 119.914 -0.023 0.000 2.407 488 V HA -0.212 3.907 4.120 -0.000 0.000 0.248 488 V C 2.270 178.266 176.094 -0.164 0.000 1.055 488 V CA 1.329 63.579 62.300 -0.084 0.000 1.049 488 V CB -0.051 31.716 31.823 -0.093 0.000 0.662 488 V HN 0.215 nan 8.190 nan 0.000 0.455 489 V N -1.576 118.181 119.914 -0.262 0.000 2.500 489 V HA 0.031 4.151 4.120 -0.000 0.000 0.243 489 V C 1.729 177.362 176.094 -0.768 0.000 1.039 489 V CA 1.609 63.526 62.300 -0.638 0.000 1.053 489 V CB -0.279 30.880 31.823 -1.107 0.000 0.695 489 V HN 0.519 nan 8.190 nan 0.000 0.463 490 F N -0.351 119.514 119.950 -0.142 0.000 2.724 490 F HA 0.515 5.042 4.527 -0.000 0.000 0.306 490 F C 1.952 177.727 175.800 -0.042 0.000 1.100 490 F CA 0.662 58.612 58.000 -0.084 0.000 1.255 490 F CB 0.134 39.099 39.000 -0.058 0.000 1.072 490 F HN 0.209 nan 8.300 nan 0.000 0.589 491 G N 0.313 109.179 108.800 0.110 0.000 3.718 491 G HA2 -0.418 3.542 3.960 -0.000 0.000 0.224 491 G HA3 -0.418 3.542 3.960 -0.000 0.000 0.224 491 G C 0.513 175.471 174.900 0.098 0.000 1.328 491 G CA 0.668 45.816 45.100 0.081 0.000 0.974 491 G HN 0.326 nan 8.290 nan 0.000 0.579 492 D N 2.141 122.606 120.400 0.109 0.000 2.541 492 D HA 0.428 5.068 4.640 -0.000 0.000 0.231 492 D C 1.004 177.344 176.300 0.067 0.000 1.163 492 D CA -0.029 54.016 54.000 0.074 0.000 1.077 492 D CB -0.075 40.758 40.800 0.054 0.000 1.110 492 D HN 0.310 nan 8.370 nan 0.000 0.499 493 V N 2.483 122.444 119.914 0.079 0.000 2.953 493 V HA 0.010 4.130 4.120 -0.000 0.000 0.304 493 V C 1.258 177.372 176.094 0.033 0.000 1.138 493 V CA 0.935 63.280 62.300 0.075 0.000 1.266 493 V CB 0.906 32.780 31.823 0.086 0.000 0.923 493 V HN 0.726 nan 8.190 nan 0.000 0.505 494 T N 0.897 115.466 114.554 0.025 0.000 2.768 494 T HA 0.386 4.736 4.350 -0.000 0.000 0.268 494 T C 0.819 175.524 174.700 0.009 0.000 0.969 494 T CA 0.071 62.170 62.100 -0.002 0.000 1.008 494 T CB 1.495 70.340 68.868 -0.038 0.000 1.371 494 T HN 0.752 nan 8.240 nan 0.000 0.587 495 S N -1.381 114.315 115.700 -0.007 0.000 2.577 495 S HA 0.271 4.741 4.470 -0.000 0.000 0.219 495 S C 2.002 176.599 174.600 -0.006 0.000 0.962 495 S CA 0.215 58.414 58.200 -0.002 0.000 0.921 495 S CB -0.667 62.529 63.200 -0.007 0.000 0.789 495 S HN 1.019 nan 8.310 nan 0.000 0.497 496 G N 1.606 110.390 108.800 -0.027 0.000 2.443 496 G HA2 0.105 4.065 3.960 -0.000 0.000 0.219 496 G HA3 0.105 4.065 3.960 -0.000 0.000 0.219 496 G C 1.285 176.176 174.900 -0.015 0.000 1.131 496 G CA 0.430 45.483 45.100 -0.078 0.000 0.775 496 G HN 0.758 nan 8.290 nan 0.000 0.547 497 A N 0.475 123.352 122.820 0.096 0.000 2.276 497 A HA 0.648 4.968 4.320 -0.000 0.000 0.212 497 A C 2.387 180.041 177.584 0.116 0.000 1.230 497 A CA 1.166 53.330 52.037 0.212 0.000 0.844 497 A CB -0.266 18.887 19.000 0.255 0.000 0.860 497 A HN 0.507 nan 8.150 nan 0.000 0.486 498 A N 0.907 123.765 122.820 0.064 0.000 1.933 498 A HA -0.196 4.124 4.320 -0.000 0.000 0.218 498 A C 1.941 179.552 177.584 0.045 0.000 1.175 498 A CA 1.894 53.955 52.037 0.039 0.000 0.628 498 A CB -0.500 18.513 19.000 0.021 0.000 0.814 498 A HN 0.619 nan 8.150 nan 0.000 0.444 499 N N 0.144 118.878 118.700 0.057 0.000 2.250 499 N HA -0.121 4.619 4.740 -0.000 0.000 0.181 499 N C 1.046 176.599 175.510 0.071 0.000 1.017 499 N CA 1.572 54.654 53.050 0.054 0.000 0.866 499 N CB -0.272 38.244 38.487 0.049 0.000 0.985 499 N HN 0.335 nan 8.380 nan 0.000 0.429 500 D N 0.195 120.663 120.400 0.114 0.000 2.149 500 D HA -0.127 4.513 4.640 -0.000 0.000 0.198 500 D C 1.853 178.207 176.300 0.089 0.000 0.990 500 D CA 0.842 54.923 54.000 0.136 0.000 0.839 500 D CB -0.133 40.811 40.800 0.239 0.000 0.948 500 D HN 0.439 nan 8.370 nan 0.000 0.460 501 I N 0.575 121.182 120.570 0.062 0.000 2.406 501 I HA -0.169 4.001 4.170 -0.000 0.000 0.249 501 I C 2.429 178.558 176.117 0.019 0.000 1.122 501 I CA 0.724 62.036 61.300 0.021 0.000 1.431 501 I CB -0.008 37.989 38.000 -0.005 0.000 1.087 501 I HN -0.050 nan 8.210 nan 0.000 0.424 502 E N 1.195 121.411 120.200 0.026 0.000 2.077 502 E HA -0.245 4.105 4.350 -0.000 0.000 0.193 502 E C 2.343 178.959 176.600 0.027 0.000 0.989 502 E CA 1.224 57.638 56.400 0.023 0.000 0.800 502 E CB 0.095 29.808 29.700 0.023 0.000 0.746 502 E HN 0.348 nan 8.360 nan 0.000 0.452 503 R N 0.013 120.534 120.500 0.036 0.000 2.081 503 R HA -0.099 4.241 4.340 -0.000 0.000 0.235 503 R C 2.411 178.731 176.300 0.033 0.000 1.131 503 R CA 1.315 57.435 56.100 0.034 0.000 0.960 503 R CB -0.319 30.004 30.300 0.038 0.000 0.856 503 R HN 0.175 nan 8.270 nan 0.000 0.436 504 A N 0.121 122.964 122.820 0.038 0.000 1.969 504 A HA -0.098 4.222 4.320 -0.000 0.000 0.218 504 A C 2.075 179.675 177.584 0.026 0.000 1.169 504 A CA 1.608 53.667 52.037 0.036 0.000 0.635 504 A CB -0.528 18.498 19.000 0.042 0.000 0.810 504 A HN 0.254 nan 8.150 nan 0.000 0.445 505 T N -0.611 113.955 114.554 0.020 0.000 2.812 505 T HA -0.112 4.237 4.350 -0.000 0.000 0.264 505 T C 1.851 176.564 174.700 0.022 0.000 1.042 505 T CA 1.397 63.506 62.100 0.016 0.000 1.140 505 T CB -0.169 68.705 68.868 0.009 0.000 0.870 505 T HN 0.696 nan 8.240 nan 0.000 0.445 506 E N 0.560 120.774 120.200 0.024 0.000 2.085 506 E HA -0.129 4.221 4.350 -0.000 0.000 0.194 506 E C 2.091 178.707 176.600 0.028 0.000 0.994 506 E CA 1.041 57.457 56.400 0.026 0.000 0.801 506 E CB -0.221 29.494 29.700 0.025 0.000 0.743 506 E HN 0.478 nan 8.360 nan 0.000 0.453 507 I N 0.792 121.378 120.570 0.026 0.000 2.179 507 I HA -0.270 3.900 4.170 -0.000 0.000 0.242 507 I C 2.570 178.704 176.117 0.028 0.000 1.088 507 I CA 1.055 62.370 61.300 0.026 0.000 1.357 507 I CB -0.325 37.689 38.000 0.024 0.000 1.051 507 I HN 0.187 nan 8.210 nan 0.000 0.409 508 A N 0.756 123.592 122.820 0.027 0.000 1.883 508 A HA -0.232 4.088 4.320 -0.000 0.000 0.217 508 A C 2.406 180.007 177.584 0.027 0.000 1.186 508 A CA 1.640 53.692 52.037 0.025 0.000 0.624 508 A CB -0.624 18.389 19.000 0.020 0.000 0.822 508 A HN 0.311 nan 8.150 nan 0.000 0.444 509 R N -0.629 119.889 120.500 0.030 0.000 2.096 509 R HA -0.127 4.213 4.340 -0.000 0.000 0.235 509 R C 2.270 178.600 176.300 0.050 0.000 1.127 509 R CA 1.329 57.452 56.100 0.038 0.000 0.968 509 R CB -0.438 29.887 30.300 0.043 0.000 0.861 509 R HN 0.703 nan 8.270 nan 0.000 0.440 510 N N 0.830 119.557 118.700 0.046 0.000 2.106 510 N HA -0.147 4.592 4.740 -0.000 0.000 0.188 510 N C 1.859 177.399 175.510 0.050 0.000 1.029 510 N CA 1.228 54.307 53.050 0.049 0.000 0.848 510 N CB 0.040 38.550 38.487 0.039 0.000 1.007 510 N HN 0.154 nan 8.380 nan 0.000 0.423 511 M N 0.402 120.027 119.600 0.042 0.000 2.108 511 M HA -0.184 4.296 4.480 -0.000 0.000 0.257 511 M C 2.153 178.485 176.300 0.053 0.000 1.071 511 M CA 1.464 56.789 55.300 0.041 0.000 1.093 511 M CB -0.138 32.482 32.600 0.033 0.000 1.345 511 M HN 0.026 nan 8.290 nan 0.000 0.403 512 V N -1.642 118.305 119.914 0.056 0.000 2.535 512 V HA -0.178 3.942 4.120 -0.000 0.000 0.246 512 V C 1.957 178.132 176.094 0.135 0.000 1.045 512 V CA 1.271 63.612 62.300 0.068 0.000 1.058 512 V CB 0.020 31.858 31.823 0.025 0.000 0.689 512 V HN 0.566 nan 8.190 nan 0.000 0.461 513 C N -1.333 118.044 119.300 0.128 0.000 2.700 513 C HA 0.147 4.607 4.460 -0.000 0.000 0.297 513 C C 2.505 177.578 174.990 0.139 0.000 1.293 513 C CA 0.070 59.202 59.018 0.190 0.000 1.756 513 C CB 0.174 28.012 27.740 0.163 0.000 2.210 513 C HN 0.515 nan 8.230 nan 0.000 0.553 514 Q N -0.059 119.793 119.800 0.087 0.000 2.511 514 Q HA 0.322 4.662 4.340 -0.000 0.000 0.236 514 Q C 1.715 177.735 176.000 0.032 0.000 0.893 514 Q CA 0.661 56.494 55.803 0.050 0.000 0.947 514 Q CB 0.047 28.813 28.738 0.046 0.000 1.110 514 Q HN 0.470 nan 8.270 nan 0.000 0.591 515 L N -0.542 120.706 121.223 0.040 0.000 2.592 515 L HA 0.306 4.645 4.340 -0.000 0.000 0.227 515 L C 0.678 177.566 176.870 0.030 0.000 1.127 515 L CA 0.476 55.334 54.840 0.030 0.000 0.884 515 L CB -0.229 41.849 42.059 0.031 0.000 1.065 515 L HN 0.439 nan 8.230 nan 0.000 0.457 516 G N 0.869 109.695 108.800 0.042 0.000 2.225 516 G HA2 -0.331 3.629 3.960 -0.000 0.000 0.267 516 G HA3 -0.331 3.629 3.960 -0.000 0.000 0.267 516 G C 0.573 175.502 174.900 0.048 0.000 1.024 516 G CA 0.453 45.581 45.100 0.046 0.000 0.784 516 G HN 0.419 nan 8.290 nan 0.000 0.507 517 M N 0.889 120.519 119.600 0.049 0.000 2.549 517 M HA 0.242 4.722 4.480 -0.000 0.000 0.273 517 M C 1.045 177.368 176.300 0.039 0.000 1.213 517 M CA 0.555 55.879 55.300 0.039 0.000 0.976 517 M CB 0.716 33.336 32.600 0.033 0.000 1.457 517 M HN 0.403 nan 8.290 nan 0.000 0.485 518 S N -0.619 115.110 115.700 0.048 0.000 2.482 518 S HA 0.286 4.756 4.470 -0.000 0.000 0.303 518 S C 0.576 175.201 174.600 0.041 0.000 1.091 518 S CA -0.672 57.550 58.200 0.038 0.000 1.057 518 S CB 2.242 65.460 63.200 0.030 0.000 1.031 518 S HN 0.370 nan 8.310 nan 0.000 0.485 519 E N 2.319 122.536 120.200 0.028 0.000 2.047 519 E HA -0.128 4.222 4.350 -0.000 0.000 0.191 519 E C 1.492 178.110 176.600 0.029 0.000 0.987 519 E CA 1.415 57.832 56.400 0.028 0.000 0.799 519 E CB -0.053 29.658 29.700 0.019 0.000 0.752 519 E HN 0.760 nan 8.360 nan 0.000 0.449 520 E N 0.198 120.406 120.200 0.013 0.000 2.049 520 E HA -0.195 4.155 4.350 -0.000 0.000 0.198 520 E C 2.142 178.751 176.600 0.016 0.000 1.007 520 E CA 1.145 57.545 56.400 -0.000 0.000 0.809 520 E CB -0.179 29.503 29.700 -0.029 0.000 0.749 520 E HN 0.361 nan 8.360 nan 0.000 0.450 521 L N -0.733 120.511 121.223 0.035 0.000 2.529 521 L HA 0.148 4.488 4.340 -0.000 0.000 0.223 521 L C 1.170 178.222 176.870 0.303 0.000 1.113 521 L CA 0.442 55.344 54.840 0.103 0.000 0.861 521 L CB 0.093 42.153 42.059 0.000 0.000 1.012 521 L HN 0.182 nan 8.230 nan 0.000 0.461 522 G N 0.399 109.307 108.800 0.180 0.000 2.728 522 G HA2 -0.173 3.787 3.960 -0.000 0.000 0.294 522 G HA3 -0.173 3.787 3.960 -0.000 0.000 0.294 522 G C -2.569 172.398 174.900 0.112 0.000 1.342 522 G CA -0.558 44.624 45.100 0.138 0.000 0.866 522 G HN -0.032 nan 8.290 nan 0.000 0.534 523 P HA 0.461 nan 4.420 nan 0.000 0.220 523 P C -0.334 176.927 177.300 -0.066 0.000 1.778 523 P CA -0.056 63.046 63.100 0.003 0.000 0.912 523 P CB -0.190 31.508 31.700 -0.004 0.000 1.861 524 L N 0.227 121.378 121.223 -0.120 0.000 2.319 524 L HA 0.721 5.061 4.340 -0.000 0.000 0.267 524 L C 0.460 177.045 176.870 -0.475 0.000 1.011 524 L CA -1.013 53.587 54.840 -0.400 0.000 0.818 524 L CB 1.538 43.120 42.059 -0.794 0.000 1.316 524 L HN -0.083 nan 8.230 nan 0.000 0.432 525 A N 1.168 123.695 122.820 -0.489 0.000 2.366 525 A HA 0.504 4.824 4.320 -0.000 0.000 0.322 525 A C -1.527 175.830 177.584 -0.377 0.000 1.397 525 A CA -0.328 51.529 52.037 -0.300 0.000 0.984 525 A CB -0.426 18.482 19.000 -0.153 0.000 1.149 525 A HN 0.615 nan 8.150 nan 0.000 0.540 526 W N 2.543 123.854 121.300 0.019 0.000 2.342 526 W HA 0.528 5.188 4.660 -0.000 0.000 0.310 526 W C 0.839 177.477 176.519 0.199 0.000 1.128 526 W CA 1.010 58.385 57.345 0.051 0.000 1.322 526 W CB 1.066 30.402 29.460 -0.208 0.000 1.251 526 W HN 1.332 nan 8.180 nan 0.000 0.439 527 G N 2.571 111.652 108.800 0.468 0.000 2.497 527 G HA2 0.207 4.167 3.960 -0.000 0.000 0.686 527 G HA3 0.207 4.167 3.960 -0.000 0.000 0.686 527 G C -0.587 174.396 174.900 0.138 0.000 1.288 527 G CA -0.988 44.295 45.100 0.305 0.000 0.899 527 G HN 0.392 nan 8.290 nan 0.000 0.608 543 R N 2.069 122.487 120.500 -0.137 0.000 2.413 543 R HA 0.075 4.415 4.340 -0.000 0.000 0.333 543 R C -0.359 175.725 176.300 -0.360 0.000 1.074 543 R CA 0.213 56.083 56.100 -0.383 0.000 0.982 543 R CB -0.178 29.831 30.300 -0.485 0.000 0.981 543 R HN 0.544 nan 8.270 nan 0.000 0.452 544 N N 4.294 122.840 118.700 -0.257 0.000 2.610 544 N HA 0.070 4.809 4.740 -0.000 0.000 0.309 544 N C -1.638 173.925 175.510 0.090 0.000 1.536 544 N CA -0.558 52.456 53.050 -0.061 0.000 0.954 544 N CB 0.136 38.645 38.487 0.036 0.000 1.310 544 N HN 0.523 nan 8.380 nan 0.000 0.502 545 Y N -2.720 117.649 120.300 0.115 0.000 2.625 545 Y HA 0.714 5.264 4.550 -0.000 0.000 0.338 545 Y C 0.033 175.971 175.900 0.063 0.000 1.123 545 Y CA -1.907 56.276 58.100 0.140 0.000 1.046 545 Y CB 0.117 38.723 38.460 0.243 0.000 1.299 545 Y HN 0.037 nan 8.280 nan 0.000 0.464 546 S N -0.206 115.675 115.700 0.303 0.000 2.589 546 S HA 0.096 4.565 4.470 -0.000 0.000 0.265 546 S C 0.908 175.609 174.600 0.169 0.000 1.342 546 S CA 0.338 58.635 58.200 0.162 0.000 1.005 546 S CB 1.217 64.475 63.200 0.098 0.000 0.909 546 S HN 0.893 nan 8.310 nan 0.000 0.555 547 E N 0.604 120.855 120.200 0.085 0.000 2.110 547 E HA -0.189 4.161 4.350 -0.000 0.000 0.193 547 E C 1.868 178.480 176.600 0.019 0.000 0.988 547 E CA 1.924 58.359 56.400 0.058 0.000 0.804 547 E CB -0.389 29.329 29.700 0.029 0.000 0.745 547 E HN 0.854 nan 8.360 nan 0.000 0.458 548 E N -0.565 119.633 120.200 -0.003 0.000 2.051 548 E HA -0.153 4.197 4.350 -0.000 0.000 0.192 548 E C 1.991 178.520 176.600 -0.117 0.000 0.991 548 E CA 1.552 57.925 56.400 -0.046 0.000 0.799 548 E CB -0.006 29.673 29.700 -0.035 0.000 0.748 548 E HN 0.200 nan 8.360 nan 0.000 0.449 549 V N 1.153 120.968 119.914 -0.165 0.000 2.490 549 V HA -0.256 3.864 4.120 -0.000 0.000 0.250 549 V C 2.368 178.232 176.094 -0.383 0.000 1.061 549 V CA 1.707 63.766 62.300 -0.402 0.000 1.064 549 V CB -0.634 30.805 31.823 -0.640 0.000 0.670 549 V HN 0.446 nan 8.190 nan 0.000 0.461 550 A N 0.613 123.368 122.820 -0.108 0.000 1.930 550 A HA -0.171 4.149 4.320 -0.000 0.000 0.217 550 A C 2.517 180.060 177.584 -0.068 0.000 1.175 550 A CA 2.002 54.036 52.037 -0.006 0.000 0.627 550 A CB -0.590 18.540 19.000 0.217 0.000 0.815 550 A HN 0.679 nan 8.150 nan 0.000 0.443 551 S N -0.410 115.248 115.700 -0.069 0.000 2.428 551 S HA -0.074 4.396 4.470 -0.000 0.000 0.230 551 S C 1.835 176.372 174.600 -0.106 0.000 1.014 551 S CA 1.210 59.370 58.200 -0.067 0.000 0.957 551 S CB -0.234 62.939 63.200 -0.045 0.000 0.784 551 S HN 0.561 nan 8.310 nan 0.000 0.499 552 K N 1.023 121.324 120.400 -0.165 0.000 2.026 552 K HA 0.063 4.383 4.320 -0.000 0.000 0.208 552 K C 2.013 178.492 176.600 -0.202 0.000 1.048 552 K CA 1.646 57.819 56.287 -0.190 0.000 0.929 552 K CB -0.471 31.880 32.500 -0.248 0.000 0.713 552 K HN 0.380 nan 8.250 nan 0.000 0.439 553 I N 1.616 122.019 120.570 -0.278 0.000 2.118 553 I HA -0.352 3.818 4.170 -0.000 0.000 0.241 553 I C 1.795 177.845 176.117 -0.111 0.000 1.070 553 I CA 1.440 62.605 61.300 -0.224 0.000 1.327 553 I CB -0.325 37.509 38.000 -0.277 0.000 1.034 553 I HN 0.174 nan 8.210 nan 0.000 0.405 554 D N 0.296 120.647 120.400 -0.081 0.000 2.123 554 D HA -0.248 4.392 4.640 -0.000 0.000 0.196 554 D C 2.022 178.298 176.300 -0.039 0.000 0.992 554 D CA 1.342 55.318 54.000 -0.042 0.000 0.833 554 D CB -0.302 40.482 40.800 -0.026 0.000 0.954 554 D HN 0.457 nan 8.370 nan 0.000 0.455 555 E N 0.400 120.569 120.200 -0.052 0.000 2.077 555 E HA -0.179 4.171 4.350 -0.000 0.000 0.193 555 E C 1.726 178.305 176.600 -0.036 0.000 0.989 555 E CA 0.877 57.252 56.400 -0.041 0.000 0.800 555 E CB 0.244 29.915 29.700 -0.049 0.000 0.746 555 E HN 0.119 nan 8.360 nan 0.000 0.452 556 E N 0.169 120.340 120.200 -0.049 0.000 2.072 556 E HA -0.123 4.227 4.350 -0.000 0.000 0.191 556 E C 2.282 178.870 176.600 -0.019 0.000 0.985 556 E CA 0.734 57.113 56.400 -0.034 0.000 0.801 556 E CB -0.141 29.531 29.700 -0.045 0.000 0.750 556 E HN 0.199 nan 8.360 nan 0.000 0.452 557 V N 1.743 121.644 119.914 -0.022 0.000 2.295 557 V HA -0.247 3.873 4.120 -0.000 0.000 0.246 557 V C 2.560 178.653 176.094 -0.002 0.000 1.049 557 V CA 1.849 64.145 62.300 -0.007 0.000 1.024 557 V CB -0.411 31.409 31.823 -0.006 0.000 0.648 557 V HN 0.217 nan 8.190 nan 0.000 0.447 558 K N 0.122 120.517 120.400 -0.007 0.000 2.103 558 K HA -0.260 4.059 4.320 -0.000 0.000 0.207 558 K C 2.295 178.899 176.600 0.007 0.000 1.048 558 K CA 1.892 58.177 56.287 -0.002 0.000 0.930 558 K CB -0.146 32.350 32.500 -0.006 0.000 0.716 558 K HN 0.378 nan 8.250 nan 0.000 0.444 559 K N 0.585 120.987 120.400 0.004 0.000 2.097 559 K HA -0.100 4.220 4.320 -0.000 0.000 0.205 559 K C 2.032 178.644 176.600 0.020 0.000 1.050 559 K CA 1.176 57.470 56.287 0.011 0.000 0.938 559 K CB -0.038 32.464 32.500 0.003 0.000 0.718 559 K HN 0.114 nan 8.250 nan 0.000 0.442 560 I N 0.531 121.112 120.570 0.018 0.000 2.179 560 I HA -0.272 3.898 4.170 -0.000 0.000 0.242 560 I C 2.129 178.268 176.117 0.037 0.000 1.088 560 I CA 0.929 62.244 61.300 0.025 0.000 1.357 560 I CB -0.104 37.909 38.000 0.022 0.000 1.051 560 I HN -0.035 nan 8.210 nan 0.000 0.409 561 V N 0.053 119.986 119.914 0.032 0.000 2.407 561 V HA -0.272 3.848 4.120 -0.000 0.000 0.248 561 V C 2.419 178.556 176.094 0.072 0.000 1.055 561 V CA 2.352 64.675 62.300 0.038 0.000 1.049 561 V CB -0.912 30.918 31.823 0.011 0.000 0.662 561 V HN 0.462 nan 8.190 nan 0.000 0.455 562 T N 0.126 114.720 114.554 0.067 0.000 2.857 562 T HA -0.101 4.249 4.350 -0.000 0.000 0.266 562 T C 1.841 176.608 174.700 0.112 0.000 1.048 562 T CA 1.316 63.478 62.100 0.103 0.000 1.139 562 T CB -0.307 68.600 68.868 0.065 0.000 0.874 562 T HN 0.424 nan 8.240 nan 0.000 0.455 563 N N 0.785 119.528 118.700 0.072 0.000 2.188 563 N HA -0.036 4.704 4.740 -0.000 0.000 0.184 563 N C 1.950 177.499 175.510 0.065 0.000 1.018 563 N CA 0.710 53.794 53.050 0.056 0.000 0.858 563 N CB -0.708 37.801 38.487 0.037 0.000 0.989 563 N HN 0.382 nan 8.380 nan 0.000 0.426 564 C N -0.120 119.230 119.300 0.083 0.000 2.457 564 C HA -0.025 4.434 4.460 -0.000 0.000 0.278 564 C C 2.472 177.539 174.990 0.129 0.000 1.309 564 C CA -0.171 58.900 59.018 0.088 0.000 1.735 564 C CB -1.176 26.613 27.740 0.082 0.000 1.992 564 C HN 0.409 nan 8.230 nan 0.000 0.493 565 Y N 2.207 122.512 120.300 0.010 0.000 2.145 565 Y HA -0.128 4.422 4.550 -0.000 0.000 0.286 565 Y C 2.427 178.329 175.900 0.004 0.000 1.145 565 Y CA 1.673 59.777 58.100 0.005 0.000 1.148 565 Y CB -0.486 37.978 38.460 0.007 0.000 0.981 565 Y HN 0.242 nan 8.280 nan 0.000 0.507 566 E N 0.355 120.536 120.200 -0.031 0.000 2.058 566 E HA -0.245 4.105 4.350 -0.000 0.000 0.194 566 E C 2.405 178.950 176.600 -0.091 0.000 0.997 566 E CA 1.286 57.621 56.400 -0.109 0.000 0.801 566 E CB -0.496 29.191 29.700 -0.022 0.000 0.746 566 E HN 0.455 nan 8.360 nan 0.000 0.450 567 R N 0.414 120.896 120.500 -0.029 0.000 2.096 567 R HA -0.182 4.158 4.340 -0.000 0.000 0.240 567 R C 2.242 178.524 176.300 -0.029 0.000 1.139 567 R CA 1.679 57.771 56.100 -0.014 0.000 0.952 567 R CB -0.266 30.043 30.300 0.015 0.000 0.854 567 R HN 0.157 nan 8.270 nan 0.000 0.436 568 A N 1.272 124.068 122.820 -0.040 0.000 1.873 568 A HA -0.232 4.087 4.320 -0.000 0.000 0.218 568 A C 2.046 179.562 177.584 -0.113 0.000 1.193 568 A CA 1.949 53.952 52.037 -0.056 0.000 0.629 568 A CB -0.491 18.495 19.000 -0.024 0.000 0.826 568 A HN 0.381 nan 8.150 nan 0.000 0.447 569 K N -0.782 119.476 120.400 -0.236 0.000 2.103 569 K HA -0.156 4.164 4.320 -0.000 0.000 0.207 569 K C 2.017 178.548 176.600 -0.114 0.000 1.048 569 K CA 1.368 57.520 56.287 -0.226 0.000 0.930 569 K CB -0.137 32.149 32.500 -0.356 0.000 0.716 569 K HN 0.387 nan 8.250 nan 0.000 0.444 570 E N 0.961 121.110 120.200 -0.084 0.000 2.051 570 E HA -0.156 4.193 4.350 -0.000 0.000 0.192 570 E C 2.051 178.655 176.600 0.007 0.000 0.991 570 E CA 1.076 57.453 56.400 -0.039 0.000 0.799 570 E CB -0.287 29.397 29.700 -0.027 0.000 0.748 570 E HN 0.299 nan 8.360 nan 0.000 0.449 571 I N 1.083 121.678 120.570 0.041 0.000 2.163 571 I HA -0.284 3.886 4.170 -0.000 0.000 0.243 571 I C 2.216 178.434 176.117 0.169 0.000 1.085 571 I CA 0.758 62.144 61.300 0.144 0.000 1.347 571 I CB -0.281 37.781 38.000 0.103 0.000 1.044 571 I HN 0.087 nan 8.210 nan 0.000 0.408 572 I N 0.608 121.217 120.570 0.064 0.000 2.248 572 I HA -0.296 3.874 4.170 -0.000 0.000 0.248 572 I C 2.633 178.781 176.117 0.051 0.000 1.107 572 I CA 1.767 63.100 61.300 0.056 0.000 1.373 572 I CB -1.261 36.736 38.000 -0.006 0.000 1.055 572 I HN 0.317 nan 8.210 nan 0.000 0.418 573 R N 0.470 120.974 120.500 0.007 0.000 2.075 573 R HA -0.123 4.217 4.340 -0.000 0.000 0.226 573 R C 2.272 178.546 176.300 -0.043 0.000 1.114 573 R CA 0.907 56.992 56.100 -0.026 0.000 0.972 573 R CB -0.281 29.990 30.300 -0.048 0.000 0.869 573 R HN 0.294 nan 8.270 nan 0.000 0.437 574 K N 0.142 120.504 120.400 -0.063 0.000 2.209 574 K HA -0.141 4.179 4.320 -0.000 0.000 0.204 574 K C 0.382 176.754 176.600 -0.379 0.000 1.048 574 K CA 1.328 57.481 56.287 -0.222 0.000 0.940 574 K CB 0.181 32.517 32.500 -0.273 0.000 0.729 574 K HN 0.200 nan 8.250 nan 0.000 0.451 575 Y N -0.396 119.897 120.300 -0.012 0.000 2.681 575 Y HA 0.197 4.747 4.550 -0.000 0.000 0.267 575 Y C 1.383 177.284 175.900 0.003 0.000 1.166 575 Y CA -0.660 57.437 58.100 -0.005 0.000 1.209 575 Y CB 0.543 39.001 38.460 -0.003 0.000 1.161 575 Y HN -0.033 nan 8.280 nan 0.000 0.534 576 R N 1.598 122.145 120.500 0.079 0.000 2.112 576 R HA -0.218 4.122 4.340 -0.000 0.000 0.242 576 R C 1.590 177.933 176.300 0.072 0.000 1.137 576 R CA 2.082 58.220 56.100 0.063 0.000 0.944 576 R CB -0.151 30.154 30.300 0.008 0.000 0.857 576 R HN 0.304 nan 8.270 nan 0.000 0.435 577 K N 0.398 120.823 120.400 0.043 0.000 1.987 577 K HA -0.220 4.100 4.320 -0.000 0.000 0.216 577 K C 2.061 178.694 176.600 0.055 0.000 1.051 577 K CA 1.989 58.299 56.287 0.039 0.000 0.942 577 K CB -0.391 32.118 32.500 0.016 0.000 0.722 577 K HN 0.397 nan 8.250 nan 0.000 0.444 578 Q N 1.322 121.168 119.800 0.076 0.000 2.181 578 Q HA -0.196 4.144 4.340 -0.000 0.000 0.205 578 Q C 2.248 178.280 176.000 0.052 0.000 0.980 578 Q CA 1.379 57.225 55.803 0.071 0.000 0.862 578 Q CB -0.689 28.118 28.738 0.115 0.000 0.905 578 Q HN 0.311 nan 8.270 nan 0.000 0.429 579 L N 2.105 123.378 121.223 0.082 0.000 2.079 579 L HA -0.166 4.174 4.340 -0.000 0.000 0.210 579 L C 1.534 178.408 176.870 0.007 0.000 1.081 579 L CA 2.099 56.977 54.840 0.063 0.000 0.752 579 L CB -0.528 41.615 42.059 0.140 0.000 0.896 579 L HN -0.008 nan 8.230 nan 0.000 0.433 580 D N -0.513 119.923 120.400 0.061 0.000 2.144 580 D HA -0.146 4.494 4.640 -0.000 0.000 0.200 580 D C 1.853 178.128 176.300 -0.042 0.000 0.978 580 D CA 1.045 55.064 54.000 0.031 0.000 0.833 580 D CB -0.288 40.566 40.800 0.090 0.000 0.961 580 D HN 0.416 nan 8.370 nan 0.000 0.470 581 N N 0.775 119.463 118.700 -0.020 0.000 2.084 581 N HA -0.077 4.663 4.740 -0.000 0.000 0.190 581 N C 2.113 177.589 175.510 -0.057 0.000 1.030 581 N CA 0.456 53.489 53.050 -0.028 0.000 0.849 581 N CB -0.377 38.104 38.487 -0.010 0.000 1.012 581 N HN 0.274 nan 8.380 nan 0.000 0.423 582 I N 0.399 120.928 120.570 -0.067 0.000 2.264 582 I HA -0.208 3.962 4.170 -0.000 0.000 0.248 582 I C 1.992 178.029 176.117 -0.132 0.000 1.111 582 I CA 0.756 62.004 61.300 -0.086 0.000 1.382 582 I CB -0.190 37.766 38.000 -0.074 0.000 1.060 582 I HN -0.072 nan 8.210 nan 0.000 0.418 583 V N 0.537 120.320 119.914 -0.218 0.000 2.379 583 V HA -0.264 3.856 4.120 -0.000 0.000 0.245 583 V C 2.462 178.449 176.094 -0.178 0.000 1.044 583 V CA 1.964 64.077 62.300 -0.311 0.000 1.036 583 V CB -0.565 30.805 31.823 -0.755 0.000 0.664 583 V HN 0.475 nan 8.190 nan 0.000 0.453 584 E N 0.368 120.491 120.200 -0.129 0.000 2.049 584 E HA -0.256 4.094 4.350 -0.000 0.000 0.198 584 E C 2.181 178.749 176.600 -0.054 0.000 1.007 584 E CA 2.085 58.445 56.400 -0.066 0.000 0.809 584 E CB -0.228 29.448 29.700 -0.041 0.000 0.749 584 E HN 0.582 nan 8.360 nan 0.000 0.450 585 I N 0.464 121.000 120.570 -0.057 0.000 2.286 585 I HA -0.244 3.926 4.170 -0.000 0.000 0.248 585 I C 2.428 178.515 176.117 -0.050 0.000 1.115 585 I CA 0.410 61.682 61.300 -0.047 0.000 1.392 585 I CB -0.150 37.821 38.000 -0.049 0.000 1.065 585 I HN 0.272 nan 8.210 nan 0.000 0.418 586 L N 0.426 121.610 121.223 -0.066 0.000 2.093 586 L HA -0.128 4.211 4.340 -0.000 0.000 0.208 586 L C 2.207 179.047 176.870 -0.050 0.000 1.085 586 L CA 1.747 56.547 54.840 -0.066 0.000 0.755 586 L CB -0.447 41.561 42.059 -0.085 0.000 0.904 586 L HN 0.146 nan 8.230 nan 0.000 0.435 587 L N -0.995 120.200 121.223 -0.046 0.000 2.156 587 L HA -0.162 4.178 4.340 -0.000 0.000 0.208 587 L C 2.467 179.328 176.870 -0.016 0.000 1.095 587 L CA 1.298 56.123 54.840 -0.024 0.000 0.770 587 L CB -0.414 41.637 42.059 -0.014 0.000 0.914 587 L HN 0.406 nan 8.230 nan 0.000 0.439 588 E N 0.770 120.959 120.200 -0.020 0.000 2.028 588 E HA -0.195 4.155 4.350 -0.000 0.000 0.190 588 E C 1.856 178.448 176.600 -0.014 0.000 0.984 588 E CA 1.171 57.563 56.400 -0.014 0.000 0.800 588 E CB 0.238 29.929 29.700 -0.015 0.000 0.758 588 E HN 0.361 nan 8.360 nan 0.000 0.448 589 K N -0.474 119.914 120.400 -0.020 0.000 2.354 589 K HA 0.102 4.421 4.320 -0.000 0.000 0.194 589 K C 0.069 176.656 176.600 -0.021 0.000 1.045 589 K CA 0.477 56.753 56.287 -0.019 0.000 1.026 589 K CB 0.658 33.145 32.500 -0.023 0.000 0.866 589 K HN 0.093 nan 8.250 nan 0.000 0.530 590 E N -0.024 120.160 120.200 -0.028 0.000 3.628 590 E HA -0.179 4.171 4.350 -0.000 0.000 0.309 590 E C -0.691 175.879 176.600 -0.052 0.000 0.839 590 E CA 0.707 57.087 56.400 -0.034 0.000 1.123 590 E CB -1.119 28.570 29.700 -0.019 0.000 1.568 590 E HN 0.180 nan 8.360 nan 0.000 0.440 591 T N -0.130 114.392 114.554 -0.054 0.000 2.977 591 T HA 0.636 4.986 4.350 -0.000 0.000 0.345 591 T C -1.584 173.079 174.700 -0.062 0.000 1.562 591 T CA -0.417 61.644 62.100 -0.064 0.000 1.090 591 T CB 1.997 70.840 68.868 -0.042 0.000 1.383 591 T HN 0.247 nan 8.240 nan 0.000 0.484 592 I N 1.604 122.130 120.570 -0.073 0.000 2.827 592 I HA 0.549 4.719 4.170 -0.000 0.000 0.298 592 I C -1.132 174.932 176.117 -0.087 0.000 1.235 592 I CA -0.748 60.508 61.300 -0.072 0.000 1.021 592 I CB 1.916 39.873 38.000 -0.071 0.000 1.259 592 I HN 0.482 nan 8.210 nan 0.000 0.427 593 E N 3.842 123.985 120.200 -0.094 0.000 2.283 593 E HA 0.279 4.629 4.350 -0.000 0.000 0.271 593 E C 0.772 177.292 176.600 -0.133 0.000 1.031 593 E CA 0.023 56.343 56.400 -0.134 0.000 0.868 593 E CB 1.627 31.247 29.700 -0.133 0.000 1.094 593 E HN 0.849 nan 8.360 nan 0.000 0.401 594 G N 2.187 110.883 108.800 -0.173 0.000 2.505 594 G HA2 -0.309 3.651 3.960 -0.000 0.000 0.220 594 G HA3 -0.309 3.651 3.960 -0.000 0.000 0.220 594 G C 0.947 175.786 174.900 -0.101 0.000 1.145 594 G CA 0.808 45.826 45.100 -0.136 0.000 0.761 594 G HN 0.410 nan 8.290 nan 0.000 0.571 595 D N -0.096 120.244 120.400 -0.100 0.000 2.144 595 D HA -0.060 4.580 4.640 -0.000 0.000 0.200 595 D C 2.244 178.509 176.300 -0.058 0.000 0.978 595 D CA 0.948 54.906 54.000 -0.070 0.000 0.833 595 D CB -0.162 40.599 40.800 -0.064 0.000 0.961 595 D HN 0.556 nan 8.370 nan 0.000 0.470 596 E N -0.134 120.029 120.200 -0.063 0.000 2.152 596 E HA -0.123 4.227 4.350 -0.000 0.000 0.192 596 E C 2.107 178.677 176.600 -0.050 0.000 0.983 596 E CA 0.158 56.527 56.400 -0.051 0.000 0.818 596 E CB 0.041 29.710 29.700 -0.052 0.000 0.758 596 E HN 0.076 nan 8.360 nan 0.000 0.467 597 L N 1.189 122.374 121.223 -0.063 0.000 1.994 597 L HA -0.147 4.193 4.340 -0.000 0.000 0.208 597 L C 2.295 179.131 176.870 -0.058 0.000 1.071 597 L CA 1.751 56.553 54.840 -0.064 0.000 0.745 597 L CB -0.196 41.816 42.059 -0.078 0.000 0.892 597 L HN -0.038 nan 8.230 nan 0.000 0.431 598 R N -1.015 119.451 120.500 -0.057 0.000 2.193 598 R HA -0.132 4.208 4.340 -0.000 0.000 0.229 598 R C 2.424 178.704 176.300 -0.033 0.000 1.110 598 R CA 1.159 57.230 56.100 -0.049 0.000 0.988 598 R CB -0.334 29.939 30.300 -0.044 0.000 0.871 598 R HN 0.392 nan 8.270 nan 0.000 0.458 599 R N 1.029 121.511 120.500 -0.030 0.000 2.073 599 R HA -0.053 4.287 4.340 -0.000 0.000 0.229 599 R C 2.030 178.325 176.300 -0.008 0.000 1.120 599 R CA 1.264 57.353 56.100 -0.018 0.000 0.967 599 R CB -0.080 30.207 30.300 -0.021 0.000 0.862 599 R HN 0.170 nan 8.270 nan 0.000 0.436 600 I N 0.927 121.490 120.570 -0.013 0.000 2.394 600 I HA -0.238 3.932 4.170 -0.000 0.000 0.251 600 I C 1.821 177.951 176.117 0.022 0.000 1.136 600 I CA 0.948 62.248 61.300 0.000 0.000 1.425 600 I CB -0.078 37.917 38.000 -0.008 0.000 1.079 600 I HN 0.211 nan 8.210 nan 0.000 0.425 601 L N 0.295 121.522 121.223 0.006 0.000 2.418 601 L HA -0.012 4.328 4.340 -0.000 0.000 0.218 601 L C 1.395 178.304 176.870 0.064 0.000 1.125 601 L CA 0.347 55.203 54.840 0.025 0.000 0.835 601 L CB -0.316 41.687 42.059 -0.093 0.000 0.953 601 L HN 0.234 nan 8.230 nan 0.000 0.454 602 S N -0.003 115.718 115.700 0.035 0.000 3.548 602 S HA 0.245 4.715 4.470 -0.000 0.000 0.195 602 S C 0.256 174.881 174.600 0.041 0.000 1.432 602 S CA -0.814 57.411 58.200 0.042 0.000 1.087 602 S CB -0.728 62.483 63.200 0.018 0.000 1.337 602 S HN 0.498 nan 8.310 nan 0.000 0.505 603 E N 0.000 120.234 120.200 0.057 0.000 2.725 603 E HA 0.000 4.350 4.350 -0.000 0.000 0.291 603 E CA 0.000 56.422 56.400 0.038 0.000 0.976 603 E CB 0.000 29.717 29.700 0.029 0.000 0.812 603 E HN 0.000 nan 8.360 nan 0.000 0.440