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 2zwv_1_A DATA FIRST_RESID 2 DATA SEQUENCE SLTREAYHRL TPLPHPGGRL FIKPGARGYR DPVHDLLQKT VEPFGERALD DATA SEQUENCE LNPGVGWGSL PLEGRMAVER LETSRAAFRC LTASGLQARL ALPWEAAAGA DATA SEQUENCE YDLVVLALPA GRGTAYVQAS LVAAARALRM GGRLYLAGDK NKGFERYFKE DATA SEQUENCE ARALLGYGVV VRREGPYRVA LLEKEKEAPP LPSLWRAFSA RILGAEYTFH DATA SEQUENCE HLPGVFSAGK VDPASLLLLE ALQERLGPEG VRGRQVLDLG AGYGALTLPL DATA SEQUENCE ARMGAEVVGV EDDLASVLSL QKGLEANALK AQALHSDVDE ALTEEARFDI DATA SEQUENCE IVTNPPFHVG GAVILDVAQA FVNVAAARLR PGGVFFLVSN PFLKYEPLLE DATA SEQUENCE EKFGAFQTLK VAEYKVLFAE KRG 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 2 S HA 0.000 nan 4.470 nan 0.000 0.327 2 S C 0.000 174.599 174.600 -0.001 0.000 1.055 2 S CA 0.000 58.195 58.200 -0.009 0.000 1.107 2 S CB 0.000 63.194 63.200 -0.011 0.000 0.593 3 L N 3.988 125.216 121.223 0.008 0.000 2.416 3 L HA 0.482 4.821 4.340 -0.000 0.000 0.272 3 L C 0.945 177.829 176.870 0.023 0.000 1.161 3 L CA 0.227 55.083 54.840 0.026 0.000 0.845 3 L CB 0.988 43.086 42.059 0.065 0.000 1.119 3 L HN 0.715 nan 8.230 nan 0.000 0.464 4 T N -0.434 114.137 114.554 0.029 0.000 2.862 4 T HA 0.303 4.652 4.350 -0.000 0.000 0.276 4 T C 1.137 175.872 174.700 0.058 0.000 0.974 4 T CA -0.743 61.373 62.100 0.025 0.000 0.966 4 T CB 1.252 70.132 68.868 0.020 0.000 1.072 4 T HN 0.502 nan 8.240 nan 0.000 0.538 5 R N 0.016 120.553 120.500 0.062 0.000 2.075 5 R HA -0.061 4.279 4.340 -0.000 0.000 0.232 5 R C 2.531 178.949 176.300 0.195 0.000 1.126 5 R CA 1.070 57.247 56.100 0.128 0.000 0.963 5 R CB -0.270 30.108 30.300 0.131 0.000 0.858 5 R HN 0.712 nan 8.270 nan 0.000 0.435 6 E N 1.264 121.540 120.200 0.126 0.000 2.058 6 E HA -0.185 4.164 4.350 -0.000 0.000 0.194 6 E C 1.841 178.496 176.600 0.091 0.000 0.997 6 E CA 1.759 58.225 56.400 0.109 0.000 0.801 6 E CB -0.080 29.653 29.700 0.057 0.000 0.746 6 E HN 0.305 nan 8.360 nan 0.000 0.450 7 A N 0.057 122.914 122.820 0.063 0.000 1.933 7 A HA -0.195 4.125 4.320 -0.000 0.000 0.218 7 A C 2.190 179.779 177.584 0.008 0.000 1.175 7 A CA 1.497 53.552 52.037 0.029 0.000 0.628 7 A CB -0.934 18.080 19.000 0.023 0.000 0.814 7 A HN 0.493 nan 8.150 nan 0.000 0.444 8 Y N -0.053 120.203 120.300 -0.072 0.000 2.200 8 Y HA -0.198 4.352 4.550 -0.001 0.000 0.290 8 Y C 2.302 178.096 175.900 -0.177 0.000 1.137 8 Y CA 2.146 60.151 58.100 -0.157 0.000 1.163 8 Y CB -0.207 38.098 38.460 -0.259 0.000 0.988 8 Y HN 0.479 nan 8.280 nan 0.000 0.518 9 H N 0.255 119.324 119.070 -0.002 0.000 2.551 9 H HA 0.116 4.671 4.556 -0.001 0.000 0.266 9 H C 0.595 175.867 175.328 -0.094 0.000 0.977 9 H CA 0.323 56.337 56.048 -0.057 0.000 1.163 9 H CB -0.188 29.614 29.762 0.067 0.000 1.381 9 H HN 0.207 nan 8.280 nan 0.000 0.581 10 R N 1.337 121.839 120.500 0.003 0.000 2.489 10 R HA 0.124 4.463 4.340 -0.000 0.000 0.287 10 R C -0.582 175.697 176.300 -0.035 0.000 1.053 10 R CA -0.138 55.958 56.100 -0.007 0.000 1.036 10 R CB 0.248 30.542 30.300 -0.009 0.000 0.966 10 R HN 0.066 nan 8.270 nan 0.000 0.432 11 L N 4.684 125.911 121.223 0.007 0.000 2.257 11 L HA 0.305 4.645 4.340 -0.000 0.000 0.290 11 L C -0.310 176.674 176.870 0.190 0.000 1.044 11 L CA -0.512 54.369 54.840 0.068 0.000 0.810 11 L CB 1.819 43.879 42.059 0.003 0.000 1.193 11 L HN 0.717 nan 8.230 nan 0.000 0.425 12 T N 4.574 119.186 114.554 0.097 0.000 2.758 12 T HA 0.358 4.708 4.350 -0.000 0.000 0.285 12 T C -2.494 172.062 174.700 -0.241 0.000 0.981 12 T CA -1.300 60.778 62.100 -0.036 0.000 0.965 12 T CB 1.528 70.323 68.868 -0.122 0.000 0.927 12 T HN 0.351 nan 8.240 nan 0.000 0.448 13 P HA 0.375 nan 4.420 nan 0.000 0.287 13 P C -0.878 176.103 177.300 -0.531 0.000 1.281 13 P CA -0.469 62.044 63.100 -0.979 0.000 0.781 13 P CB 0.936 31.794 31.700 -1.404 0.000 0.903 14 L N 6.066 127.008 121.223 -0.469 0.000 2.325 14 L HA 0.520 4.860 4.340 -0.000 0.000 0.278 14 L C -1.941 174.789 176.870 -0.233 0.000 1.023 14 L CA -2.541 52.095 54.840 -0.340 0.000 0.811 14 L CB 2.244 44.037 42.059 -0.445 0.000 1.249 14 L HN 0.187 nan 8.230 nan 0.000 0.431 15 P HA 0.294 nan 4.420 nan 0.000 0.281 15 P C -1.631 175.659 177.300 -0.018 0.000 1.249 15 P CA -0.107 62.902 63.100 -0.151 0.000 0.810 15 P CB 1.177 32.801 31.700 -0.126 0.000 1.008 16 H N -1.371 117.712 119.070 0.021 0.000 3.046 16 H HA 0.540 5.096 4.556 -0.000 0.000 0.361 16 H C -2.970 172.412 175.328 0.090 0.000 1.235 16 H CA -2.516 53.594 56.048 0.104 0.000 1.146 16 H CB -0.433 29.480 29.762 0.252 0.000 1.859 16 H HN 0.106 nan 8.280 nan 0.000 0.548 17 P HA 0.104 nan 4.420 nan 0.000 0.255 17 P C 0.950 178.360 177.300 0.184 0.000 1.173 17 P CA 2.408 65.605 63.100 0.162 0.000 0.780 17 P CB 0.182 31.972 31.700 0.150 0.000 0.758 18 G N 1.984 110.809 108.800 0.041 0.000 2.175 18 G HA2 0.015 3.975 3.960 -0.000 0.000 0.244 18 G HA3 0.015 3.975 3.960 -0.000 0.000 0.244 18 G C 0.390 175.266 174.900 -0.040 0.000 0.982 18 G CA -0.181 44.941 45.100 0.036 0.000 0.641 18 G HN 0.977 nan 8.290 nan 0.000 0.527 19 G N -0.879 107.727 108.800 -0.324 0.000 2.435 19 G HA2 0.798 4.758 3.960 -0.000 0.000 0.296 19 G HA3 0.798 4.758 3.960 -0.000 0.000 0.296 19 G C -0.948 173.500 174.900 -0.754 0.000 1.240 19 G CA 0.358 45.204 45.100 -0.423 0.000 0.872 19 G HN 1.302 nan 8.290 nan 0.000 0.480 20 R N -1.496 118.744 120.500 -0.433 0.000 2.774 20 R HA 0.833 5.173 4.340 -0.000 0.000 0.272 20 R C -2.184 174.109 176.300 -0.011 0.000 1.000 20 R CA -0.906 55.016 56.100 -0.297 0.000 0.906 20 R CB 2.054 32.167 30.300 -0.312 0.000 1.227 20 R HN 0.773 nan 8.270 nan 0.000 0.468 21 L N 2.086 123.282 121.223 -0.044 0.000 2.439 21 L HA 0.500 4.840 4.340 -0.000 0.000 0.270 21 L C -1.559 175.197 176.870 -0.189 0.000 0.972 21 L CA -0.488 54.374 54.840 0.038 0.000 0.836 21 L CB 1.762 43.946 42.059 0.207 0.000 1.255 21 L HN 0.638 nan 8.230 nan 0.000 0.404 22 F N 5.808 125.713 119.950 -0.074 0.000 2.456 22 F HA 0.524 5.050 4.527 -0.000 0.000 0.358 22 F C 0.705 176.404 175.800 -0.169 0.000 1.095 22 F CA 0.112 58.034 58.000 -0.130 0.000 1.216 22 F CB 0.713 39.653 39.000 -0.100 0.000 1.125 22 F HN 0.404 nan 8.300 nan 0.000 0.549 23 I N 1.005 121.531 120.570 -0.075 0.000 3.145 23 I HA 0.801 4.971 4.170 -0.000 0.000 0.313 23 I C -1.399 174.648 176.117 -0.117 0.000 1.122 23 I CA -1.161 60.049 61.300 -0.150 0.000 0.987 23 I CB 2.764 40.542 38.000 -0.370 0.000 1.236 23 I HN 0.653 nan 8.210 nan 0.000 0.453 24 K N 1.512 121.830 120.400 -0.136 0.000 2.607 24 K HA 0.604 4.924 4.320 -0.000 0.000 0.287 24 K C -3.310 173.159 176.600 -0.217 0.000 0.996 24 K CA -1.530 54.650 56.287 -0.179 0.000 0.876 24 K CB 1.256 33.642 32.500 -0.190 0.000 1.496 24 K HN 0.302 nan 8.250 nan 0.000 0.415 25 P HA 0.091 nan 4.420 nan 0.000 0.266 25 P C 0.489 177.634 177.300 -0.257 0.000 1.195 25 P CA 1.510 64.459 63.100 -0.252 0.000 0.768 25 P CB 0.701 32.244 31.700 -0.262 0.000 0.838 26 G N 1.432 110.206 108.800 -0.044 0.000 2.199 26 G HA2 -0.155 3.805 3.960 -0.000 0.000 0.254 26 G HA3 -0.155 3.805 3.960 -0.000 0.000 0.254 26 G C 0.290 175.189 174.900 -0.000 0.000 0.982 26 G CA 0.003 45.125 45.100 0.037 0.000 0.632 26 G HN 0.862 nan 8.290 nan 0.000 0.529 27 A N 0.953 123.748 122.820 -0.043 0.000 2.249 27 A HA 0.759 5.079 4.320 -0.000 0.000 0.314 27 A C 0.701 178.267 177.584 -0.031 0.000 1.290 27 A CA 0.276 52.298 52.037 -0.025 0.000 0.893 27 A CB 0.324 19.302 19.000 -0.035 0.000 1.165 27 A HN 1.062 nan 8.150 nan 0.000 0.530 28 R N 1.796 122.279 120.500 -0.029 0.000 2.615 28 R HA 0.656 4.996 4.340 -0.000 0.000 0.270 28 R C 0.741 176.957 176.300 -0.140 0.000 1.081 28 R CA 0.348 56.405 56.100 -0.073 0.000 1.154 28 R CB 0.443 30.710 30.300 -0.055 0.000 1.063 28 R HN 1.502 nan 8.270 nan 0.000 0.519 29 G N 0.105 108.730 108.800 -0.291 0.000 2.612 29 G HA2 -0.253 3.706 3.960 -0.000 0.000 0.200 29 G HA3 -0.253 3.706 3.960 -0.000 0.000 0.200 29 G C -0.746 174.026 174.900 -0.212 0.000 1.053 29 G CA -0.179 44.649 45.100 -0.454 0.000 0.707 29 G HN 0.582 nan 8.290 nan 0.000 0.497 30 Y N 2.558 122.726 120.300 -0.220 0.000 2.301 30 Y HA 0.574 5.124 4.550 -0.001 0.000 0.325 30 Y C 1.429 177.209 175.900 -0.200 0.000 1.203 30 Y CA 0.248 58.203 58.100 -0.241 0.000 1.255 30 Y CB 0.741 39.057 38.460 -0.241 0.000 1.232 30 Y HN 0.317 nan 8.280 nan 0.000 0.501 31 R N 1.539 121.779 120.500 -0.433 0.000 3.770 31 R HA -0.225 4.115 4.340 -0.000 0.000 0.305 31 R C -1.420 174.776 176.300 -0.174 0.000 1.184 31 R CA 0.900 56.854 56.100 -0.243 0.000 0.823 31 R CB -2.097 28.156 30.300 -0.079 0.000 1.285 31 R HN 0.665 nan 8.270 nan 0.000 0.499 32 D N -0.145 120.145 120.400 -0.183 0.000 2.440 32 D HA 0.337 4.976 4.640 -0.000 0.000 0.239 32 D C -1.591 174.628 176.300 -0.135 0.000 1.084 32 D CA -2.417 51.513 54.000 -0.117 0.000 0.843 32 D CB 1.513 42.266 40.800 -0.078 0.000 1.097 32 D HN -0.154 nan 8.370 nan 0.000 0.531 33 P HA -0.169 nan 4.420 nan 0.000 0.216 33 P C 1.553 178.554 177.300 -0.500 0.000 1.150 33 P CA 0.670 63.407 63.100 -0.605 0.000 0.843 33 P CB 0.482 31.329 31.700 -1.421 0.000 0.787 34 V N -0.979 118.736 119.914 -0.332 0.000 2.261 34 V HA -0.270 3.850 4.120 -0.000 0.000 0.246 34 V C 2.161 178.207 176.094 -0.080 0.000 1.047 34 V CA 2.111 64.339 62.300 -0.119 0.000 1.015 34 V CB -1.490 30.348 31.823 0.025 0.000 0.642 34 V HN 0.165 nan 8.190 nan 0.000 0.446 35 H N -0.557 118.479 119.070 -0.058 0.000 2.423 35 H HA -0.122 4.433 4.556 -0.000 0.000 0.297 35 H C 2.101 177.417 175.328 -0.020 0.000 1.075 35 H CA 1.667 57.712 56.048 -0.004 0.000 1.342 35 H CB -0.243 29.573 29.762 0.091 0.000 1.395 35 H HN 0.491 nan 8.280 nan 0.000 0.530 36 D N -0.283 120.198 120.400 0.134 0.000 2.144 36 D HA -0.113 4.526 4.640 -0.000 0.000 0.200 36 D C 2.007 178.263 176.300 -0.074 0.000 0.978 36 D CA 0.342 54.410 54.000 0.113 0.000 0.833 36 D CB -0.049 40.802 40.800 0.085 0.000 0.961 36 D HN 0.175 nan 8.370 nan 0.000 0.470 37 L N 0.212 121.371 121.223 -0.107 0.000 2.093 37 L HA 0.017 4.357 4.340 -0.000 0.000 0.208 37 L C 2.131 178.901 176.870 -0.167 0.000 1.085 37 L CA 1.226 55.994 54.840 -0.120 0.000 0.755 37 L CB -0.506 41.495 42.059 -0.098 0.000 0.904 37 L HN 0.192 nan 8.230 nan 0.000 0.435 38 L N -0.947 120.162 121.223 -0.190 0.000 2.012 38 L HA -0.249 4.091 4.340 -0.000 0.000 0.210 38 L C 2.658 179.324 176.870 -0.341 0.000 1.073 38 L CA 1.547 56.237 54.840 -0.251 0.000 0.748 38 L CB -0.547 41.368 42.059 -0.240 0.000 0.891 38 L HN 0.435 nan 8.230 nan 0.000 0.431 39 Q N 0.765 120.317 119.800 -0.414 0.000 2.181 39 Q HA -0.250 4.090 4.340 -0.000 0.000 0.205 39 Q C 1.827 177.567 176.000 -0.434 0.000 0.980 39 Q CA 1.709 57.155 55.803 -0.595 0.000 0.862 39 Q CB 0.046 28.109 28.738 -1.126 0.000 0.905 39 Q HN 0.499 nan 8.270 nan 0.000 0.429 40 K N -1.144 119.074 120.400 -0.304 0.000 2.426 40 K HA 0.052 4.372 4.320 -0.000 0.000 0.193 40 K C 1.517 178.005 176.600 -0.186 0.000 1.028 40 K CA 0.864 57.028 56.287 -0.206 0.000 1.047 40 K CB 0.486 32.907 32.500 -0.132 0.000 0.821 40 K HN 0.111 nan 8.250 nan 0.000 0.513 41 T N 0.375 114.785 114.554 -0.240 0.000 3.056 41 T HA 0.026 4.376 4.350 -0.000 0.000 0.243 41 T C 0.691 175.164 174.700 -0.379 0.000 0.995 41 T CA -0.050 61.911 62.100 -0.232 0.000 1.091 41 T CB 0.165 68.919 68.868 -0.189 0.000 0.990 41 T HN 0.076 nan 8.240 nan 0.000 0.464 42 V N 3.016 122.559 119.914 -0.619 0.000 2.788 42 V HA 0.386 4.506 4.120 -0.000 0.000 0.307 42 V C -0.431 175.444 176.094 -0.364 0.000 1.069 42 V CA -0.701 61.073 62.300 -0.877 0.000 1.173 42 V CB 0.062 31.451 31.823 -0.723 0.000 0.925 42 V HN 0.632 nan 8.190 nan 0.000 0.492 43 E N 3.706 123.813 120.200 -0.154 0.000 2.383 43 E HA 0.667 5.017 4.350 -0.000 0.000 0.275 43 E C -3.175 173.514 176.600 0.147 0.000 0.918 43 E CA -2.611 53.802 56.400 0.021 0.000 0.764 43 E CB 1.725 31.466 29.700 0.067 0.000 1.252 43 E HN 0.470 nan 8.360 nan 0.000 0.449 44 P HA 0.072 nan 4.420 nan 0.000 0.266 44 P C -1.448 176.019 177.300 0.278 0.000 1.195 44 P CA 0.164 63.362 63.100 0.163 0.000 0.768 44 P CB 0.108 31.864 31.700 0.093 0.000 0.838 45 F N 2.736 122.738 119.950 0.087 0.000 2.787 45 F HA 0.528 5.054 4.527 -0.001 0.000 0.340 45 F C 0.397 176.235 175.800 0.064 0.000 1.232 45 F CA 0.578 58.621 58.000 0.072 0.000 1.051 45 F CB 1.024 40.071 39.000 0.078 0.000 1.330 45 F HN 0.696 nan 8.300 nan 0.000 0.522 46 G N 5.316 113.820 108.800 -0.492 0.000 2.542 46 G HA2 -0.235 3.725 3.960 -0.000 0.000 0.235 46 G HA3 -0.235 3.725 3.960 -0.000 0.000 0.235 46 G C 0.242 175.056 174.900 -0.143 0.000 1.286 46 G CA 0.348 45.207 45.100 -0.403 0.000 0.904 46 G HN 0.675 nan 8.290 nan 0.000 0.577 47 E N -0.094 120.051 120.200 -0.092 0.000 2.391 47 E HA 0.196 4.546 4.350 -0.000 0.000 0.206 47 E C 1.028 177.640 176.600 0.021 0.000 0.851 47 E CA 0.061 56.443 56.400 -0.031 0.000 1.059 47 E CB 0.642 30.317 29.700 -0.042 0.000 1.065 47 E HN 0.423 nan 8.360 nan 0.000 0.512 48 R N 0.864 121.392 120.500 0.047 0.000 2.393 48 R HA 0.657 4.997 4.340 -0.000 0.000 0.315 48 R C -1.055 175.417 176.300 0.286 0.000 0.952 48 R CA -0.399 55.788 56.100 0.144 0.000 0.842 48 R CB 1.984 32.317 30.300 0.055 0.000 1.163 48 R HN -0.026 nan 8.270 nan 0.000 0.450 49 A N 2.947 125.930 122.820 0.271 0.000 2.356 49 A HA 0.763 5.083 4.320 -0.000 0.000 0.323 49 A C -1.528 176.079 177.584 0.038 0.000 1.119 49 A CA -0.672 51.478 52.037 0.189 0.000 0.790 49 A CB 1.431 20.506 19.000 0.125 0.000 1.273 49 A HN 0.539 nan 8.150 nan 0.000 0.452 50 L N 1.120 122.242 121.223 -0.169 0.000 2.438 50 L HA 0.563 4.903 4.340 -0.000 0.000 0.270 50 L C -1.499 175.270 176.870 -0.169 0.000 0.972 50 L CA -0.228 54.384 54.840 -0.380 0.000 0.831 50 L CB 2.044 43.511 42.059 -0.985 0.000 1.273 50 L HN 0.674 nan 8.230 nan 0.000 0.405 51 D N 4.684 125.023 120.400 -0.101 0.000 2.329 51 D HA 0.284 4.924 4.640 -0.000 0.000 0.232 51 D C 0.379 176.657 176.300 -0.038 0.000 1.088 51 D CA -0.112 53.866 54.000 -0.037 0.000 0.835 51 D CB 1.343 42.145 40.800 0.004 0.000 1.078 51 D HN 0.689 nan 8.370 nan 0.000 0.495 52 L N 3.335 124.541 121.223 -0.029 0.000 2.611 52 L HA 0.194 4.534 4.340 -0.000 0.000 0.229 52 L C 0.623 177.509 176.870 0.027 0.000 1.137 52 L CA 0.093 54.918 54.840 -0.024 0.000 0.901 52 L CB -0.046 41.992 42.059 -0.034 0.000 1.098 52 L HN 0.231 nan 8.230 nan 0.000 0.456 53 N N -0.764 117.971 118.700 0.059 0.000 2.725 53 N HA 0.140 4.880 4.740 -0.000 0.000 0.225 53 N C -2.204 173.408 175.510 0.169 0.000 1.465 53 N CA -0.856 52.265 53.050 0.118 0.000 0.830 53 N CB 0.741 39.303 38.487 0.125 0.000 1.460 53 N HN -0.240 nan 8.380 nan 0.000 0.538 54 P HA 0.044 nan 4.420 nan 0.000 0.213 54 P C 0.983 178.403 177.300 0.200 0.000 1.170 54 P CA 2.021 65.217 63.100 0.159 0.000 0.898 54 P CB 0.041 31.817 31.700 0.126 0.000 0.787 55 G N -1.059 107.835 108.800 0.157 0.000 2.556 55 G HA2 -0.313 3.647 3.960 -0.000 0.000 0.283 55 G HA3 -0.313 3.647 3.960 -0.000 0.000 0.283 55 G C 0.957 175.912 174.900 0.093 0.000 1.177 55 G CA 0.773 45.927 45.100 0.089 0.000 0.978 55 G HN 0.457 nan 8.290 nan 0.000 0.554 56 V N -0.974 118.988 119.914 0.081 0.000 3.573 56 V HA 0.506 4.626 4.120 -0.000 0.000 0.270 56 V C 2.080 178.275 176.094 0.167 0.000 1.221 56 V CA 1.473 63.839 62.300 0.110 0.000 1.163 56 V CB -0.444 31.442 31.823 0.106 0.000 0.847 56 V HN 2.922 nan 8.190 nan 0.000 0.468 57 G N -1.027 107.887 108.800 0.190 0.000 2.132 57 G HA2 -0.311 3.649 3.960 -0.000 0.000 0.234 57 G HA3 -0.311 3.649 3.960 -0.000 0.000 0.234 57 G C 0.498 175.549 174.900 0.252 0.000 0.989 57 G CA 0.345 45.560 45.100 0.192 0.000 0.676 57 G HN 0.622 nan 8.290 nan 0.000 0.522 58 W N 0.533 121.871 121.300 0.063 0.000 2.407 58 W HA -0.018 4.641 4.660 -0.001 0.000 0.305 58 W C 2.044 178.558 176.519 -0.008 0.000 1.196 58 W CA 1.394 58.745 57.345 0.009 0.000 1.311 58 W CB -0.401 29.047 29.460 -0.019 0.000 1.135 58 W HN 0.277 nan 8.180 nan 0.000 0.514 59 G N 0.357 109.201 108.800 0.073 0.000 2.469 59 G HA2 -0.343 3.616 3.960 -0.000 0.000 0.219 59 G HA3 -0.343 3.616 3.960 -0.000 0.000 0.219 59 G C 1.358 176.124 174.900 -0.223 0.000 1.150 59 G CA 1.624 46.641 45.100 -0.138 0.000 0.763 59 G HN 0.351 nan 8.290 nan 0.000 0.561 60 S N -0.405 115.221 115.700 -0.123 0.000 2.557 60 S HA 0.263 4.733 4.470 -0.000 0.000 0.223 60 S C 1.824 176.346 174.600 -0.130 0.000 0.969 60 S CA 0.050 58.174 58.200 -0.126 0.000 0.927 60 S CB 0.388 63.559 63.200 -0.047 0.000 0.806 60 S HN 0.110 nan 8.310 nan 0.000 0.489 61 L N 2.805 123.920 121.223 -0.179 0.000 2.043 61 L HA 0.080 4.420 4.340 -0.000 0.000 0.212 61 L C -1.207 175.560 176.870 -0.172 0.000 1.075 61 L CA 1.790 56.531 54.840 -0.165 0.000 0.752 61 L CB -1.404 40.505 42.059 -0.250 0.000 0.891 61 L HN 0.176 nan 8.230 nan 0.000 0.432 62 P HA -0.149 nan 4.420 nan 0.000 0.223 62 P C 1.698 178.941 177.300 -0.095 0.000 1.144 62 P CA 1.272 64.265 63.100 -0.178 0.000 0.783 62 P CB -0.021 31.542 31.700 -0.228 0.000 0.771 63 L N -1.733 119.445 121.223 -0.076 0.000 2.446 63 L HA 0.063 4.403 4.340 -0.000 0.000 0.219 63 L C 1.083 177.953 176.870 0.001 0.000 1.116 63 L CA 0.032 54.859 54.840 -0.021 0.000 0.844 63 L CB -0.627 41.431 42.059 -0.002 0.000 0.970 63 L HN -0.093 nan 8.230 nan 0.000 0.457 64 E N 1.100 121.296 120.200 -0.006 0.000 2.493 64 E HA 0.184 4.534 4.350 -0.000 0.000 0.255 64 E C 1.081 177.696 176.600 0.025 0.000 0.999 64 E CA 0.935 57.346 56.400 0.019 0.000 0.934 64 E CB 0.266 29.982 29.700 0.026 0.000 0.940 64 E HN 0.324 nan 8.360 nan 0.000 0.473 65 G N 4.996 113.814 108.800 0.031 0.000 2.217 65 G HA2 -0.345 3.615 3.960 -0.000 0.000 0.246 65 G HA3 -0.345 3.615 3.960 -0.000 0.000 0.246 65 G C 1.033 175.948 174.900 0.026 0.000 0.990 65 G CA 0.488 45.607 45.100 0.030 0.000 0.627 65 G HN 0.565 nan 8.290 nan 0.000 0.522 66 R N -0.227 120.288 120.500 0.024 0.000 2.335 66 R HA 0.518 4.858 4.340 -0.000 0.000 0.210 66 R C 1.084 177.400 176.300 0.028 0.000 0.892 66 R CA 1.139 57.254 56.100 0.024 0.000 1.048 66 R CB 0.311 30.624 30.300 0.022 0.000 1.067 66 R HN 0.689 nan 8.270 nan 0.000 0.524 67 M N -2.805 116.815 119.600 0.034 0.000 2.694 67 M HA 0.500 4.980 4.480 -0.000 0.000 0.276 67 M C -1.726 174.604 176.300 0.050 0.000 1.167 67 M CA -1.072 54.252 55.300 0.039 0.000 0.849 67 M CB 1.581 34.210 32.600 0.048 0.000 1.705 67 M HN -0.155 nan 8.290 nan 0.000 0.504 68 A N 1.785 124.639 122.820 0.056 0.000 2.522 68 A HA 0.550 4.870 4.320 -0.000 0.000 0.256 68 A C -0.411 177.232 177.584 0.099 0.000 1.086 68 A CA -0.182 51.898 52.037 0.072 0.000 0.763 68 A CB -0.254 18.788 19.000 0.071 0.000 1.024 68 A HN 0.670 nan 8.150 nan 0.000 0.502 69 V N 3.345 123.312 119.914 0.088 0.000 2.444 69 V HA 0.420 4.540 4.120 -0.000 0.000 0.294 69 V C -0.244 175.900 176.094 0.085 0.000 1.022 69 V CA -0.556 61.794 62.300 0.083 0.000 0.850 69 V CB 1.518 33.374 31.823 0.056 0.000 0.992 69 V HN 0.998 nan 8.190 nan 0.000 0.426 70 E N 4.415 124.664 120.200 0.082 0.000 2.179 70 E HA 0.603 4.953 4.350 -0.000 0.000 0.275 70 E C -0.667 175.946 176.600 0.021 0.000 0.945 70 E CA -0.593 55.851 56.400 0.073 0.000 0.792 70 E CB 1.301 31.072 29.700 0.120 0.000 1.125 70 E HN 0.577 nan 8.360 nan 0.000 0.397 71 R N 4.206 124.736 120.500 0.051 0.000 2.409 71 R HA 0.429 4.769 4.340 -0.000 0.000 0.313 71 R C -0.660 175.680 176.300 0.066 0.000 0.953 71 R CA -0.628 55.503 56.100 0.052 0.000 0.849 71 R CB 1.078 31.427 30.300 0.082 0.000 1.171 71 R HN 0.441 nan 8.270 nan 0.000 0.458 72 L N 2.984 124.221 121.223 0.024 0.000 2.259 72 L HA 0.357 4.697 4.340 -0.000 0.000 0.288 72 L C -0.003 176.885 176.870 0.030 0.000 1.051 72 L CA -0.607 54.237 54.840 0.006 0.000 0.824 72 L CB 0.875 42.898 42.059 -0.061 0.000 1.206 72 L HN 0.475 nan 8.230 nan 0.000 0.429 73 E N 1.526 121.772 120.200 0.077 0.000 2.179 73 E HA 0.284 4.634 4.350 -0.000 0.000 0.275 73 E C 0.652 177.295 176.600 0.072 0.000 0.945 73 E CA -0.445 56.025 56.400 0.116 0.000 0.792 73 E CB 1.662 31.510 29.700 0.246 0.000 1.125 73 E HN 0.553 nan 8.360 nan 0.000 0.397 74 T N -0.073 114.533 114.554 0.085 0.000 3.015 74 T HA 0.163 4.513 4.350 -0.000 0.000 0.250 74 T C 0.794 175.620 174.700 0.210 0.000 1.057 74 T CA 0.020 62.169 62.100 0.081 0.000 1.066 74 T CB 0.112 69.007 68.868 0.045 0.000 0.959 74 T HN 0.212 nan 8.240 nan 0.000 0.488 75 S N 0.804 116.616 115.700 0.186 0.000 2.465 75 S HA 0.432 4.902 4.470 -0.000 0.000 0.279 75 S C 1.140 175.833 174.600 0.154 0.000 1.201 75 S CA -0.739 57.572 58.200 0.185 0.000 1.053 75 S CB 1.247 64.517 63.200 0.117 0.000 0.953 75 S HN 0.319 nan 8.310 nan 0.000 0.488 76 R N 4.520 125.034 120.500 0.023 0.000 2.081 76 R HA 0.041 4.381 4.340 -0.000 0.000 0.235 76 R C 2.310 178.643 176.300 0.055 0.000 1.131 76 R CA 2.066 58.082 56.100 -0.140 0.000 0.960 76 R CB -0.969 29.099 30.300 -0.386 0.000 0.856 76 R HN 0.784 nan 8.270 nan 0.000 0.436 77 A N 0.095 122.954 122.820 0.065 0.000 1.883 77 A HA -0.129 4.190 4.320 -0.000 0.000 0.217 77 A C 2.340 179.952 177.584 0.046 0.000 1.186 77 A CA 1.968 54.038 52.037 0.054 0.000 0.624 77 A CB -1.099 17.932 19.000 0.051 0.000 0.822 77 A HN 0.462 nan 8.150 nan 0.000 0.444 78 A N -1.635 121.231 122.820 0.077 0.000 1.930 78 A HA 0.019 4.339 4.320 -0.000 0.000 0.217 78 A C 2.022 179.670 177.584 0.107 0.000 1.175 78 A CA 1.484 53.569 52.037 0.080 0.000 0.627 78 A CB -0.669 18.389 19.000 0.097 0.000 0.815 78 A HN 0.637 nan 8.150 nan 0.000 0.443 79 F N 0.883 120.836 119.950 0.004 0.000 2.171 79 F HA -0.145 4.383 4.527 0.001 0.000 0.300 79 F C 2.356 178.144 175.800 -0.021 0.000 1.090 79 F CA 1.623 59.624 58.000 0.001 0.000 1.293 79 F CB -0.192 38.806 39.000 -0.004 0.000 1.013 79 F HN 0.121 nan 8.300 nan 0.000 0.486 80 R N -0.830 119.647 120.500 -0.039 0.000 2.081 80 R HA -0.194 4.145 4.340 -0.000 0.000 0.235 80 R C 2.309 178.483 176.300 -0.209 0.000 1.131 80 R CA 1.671 57.683 56.100 -0.146 0.000 0.960 80 R CB -1.202 29.065 30.300 -0.055 0.000 0.856 80 R HN 0.360 nan 8.270 nan 0.000 0.436 81 C N 0.732 119.962 119.300 -0.117 0.000 2.462 81 C HA -0.050 4.410 4.460 -0.000 0.000 0.278 81 C C 2.669 177.615 174.990 -0.072 0.000 1.253 81 C CA 0.473 59.454 59.018 -0.061 0.000 1.713 81 C CB -0.952 26.795 27.740 0.011 0.000 2.049 81 C HN 0.429 nan 8.230 nan 0.000 0.477 82 L N 0.558 121.719 121.223 -0.102 0.000 2.042 82 L HA -0.198 4.142 4.340 -0.000 0.000 0.210 82 L C 2.699 179.450 176.870 -0.197 0.000 1.076 82 L CA 1.918 56.698 54.840 -0.101 0.000 0.749 82 L CB -1.306 40.696 42.059 -0.095 0.000 0.893 82 L HN 0.396 nan 8.230 nan 0.000 0.432 83 T N -0.087 114.226 114.554 -0.402 0.000 2.708 83 T HA -0.187 4.163 4.350 -0.000 0.000 0.266 83 T C 1.991 176.523 174.700 -0.280 0.000 1.037 83 T CA 1.431 63.290 62.100 -0.401 0.000 1.146 83 T CB -0.281 68.257 68.868 -0.549 0.000 0.865 83 T HN 0.464 nan 8.240 nan 0.000 0.435 84 A N 1.149 123.760 122.820 -0.349 0.000 1.969 84 A HA -0.034 4.286 4.320 -0.000 0.000 0.218 84 A C 2.467 179.872 177.584 -0.299 0.000 1.169 84 A CA 1.558 53.262 52.037 -0.554 0.000 0.635 84 A CB -0.557 17.802 19.000 -1.069 0.000 0.810 84 A HN 0.436 nan 8.150 nan 0.000 0.445 85 S N -1.402 114.312 115.700 0.023 0.000 2.561 85 S HA 0.315 4.785 4.470 -0.000 0.000 0.225 85 S C 1.358 176.033 174.600 0.124 0.000 0.977 85 S CA 0.754 59.113 58.200 0.266 0.000 0.926 85 S CB -0.136 63.214 63.200 0.250 0.000 0.769 85 S HN 1.628 nan 8.310 nan 0.000 0.533 86 G N 1.506 110.318 108.800 0.021 0.000 2.198 86 G HA2 -0.232 3.727 3.960 -0.000 0.000 0.257 86 G HA3 -0.232 3.727 3.960 -0.000 0.000 0.257 86 G C -0.197 174.718 174.900 0.025 0.000 1.042 86 G CA -0.160 44.947 45.100 0.012 0.000 0.791 86 G HN 0.465 nan 8.290 nan 0.000 0.502 87 L N 0.133 121.364 121.223 0.014 0.000 2.282 87 L HA 0.449 4.789 4.340 -0.000 0.000 0.288 87 L C 0.828 177.708 176.870 0.018 0.000 1.033 87 L CA -1.185 53.674 54.840 0.031 0.000 0.807 87 L CB 1.613 43.703 42.059 0.052 0.000 1.209 87 L HN 0.254 nan 8.230 nan 0.000 0.423 88 Q N 3.291 123.115 119.800 0.039 0.000 2.262 88 Q HA 0.366 4.706 4.340 -0.000 0.000 0.298 88 Q C -0.895 175.152 176.000 0.078 0.000 1.083 88 Q CA 0.462 56.298 55.803 0.056 0.000 0.962 88 Q CB 0.708 29.484 28.738 0.063 0.000 1.104 88 Q HN 0.659 nan 8.270 nan 0.000 0.376 89 A N 4.775 127.665 122.820 0.116 0.000 2.604 89 A HA 0.842 5.162 4.320 -0.000 0.000 0.295 89 A C -1.441 176.340 177.584 0.329 0.000 1.067 89 A CA -1.012 51.144 52.037 0.198 0.000 0.683 89 A CB 1.508 20.627 19.000 0.197 0.000 1.281 89 A HN 0.603 nan 8.150 nan 0.000 0.407 90 R N 0.789 121.445 120.500 0.260 0.000 2.686 90 R HA 0.499 4.839 4.340 -0.000 0.000 0.286 90 R C -1.216 175.085 176.300 0.001 0.000 0.969 90 R CA -0.800 55.393 56.100 0.155 0.000 0.898 90 R CB 1.353 31.700 30.300 0.078 0.000 1.183 90 R HN 0.670 nan 8.270 nan 0.000 0.456 91 L N 2.468 123.550 121.223 -0.234 0.000 2.454 91 L HA 0.432 4.772 4.340 -0.000 0.000 0.284 91 L C 0.143 176.923 176.870 -0.150 0.000 1.139 91 L CA 0.015 54.660 54.840 -0.326 0.000 0.911 91 L CB 0.374 42.166 42.059 -0.446 0.000 1.262 91 L HN 0.654 nan 8.230 nan 0.000 0.453 92 A N 3.874 126.624 122.820 -0.118 0.000 2.608 92 A HA 0.686 5.005 4.320 -0.000 0.000 0.292 92 A C -0.955 176.498 177.584 -0.218 0.000 1.066 92 A CA -0.695 51.258 52.037 -0.140 0.000 0.676 92 A CB 1.107 20.049 19.000 -0.096 0.000 1.277 92 A HN 0.419 nan 8.150 nan 0.000 0.413 93 L N 1.265 122.269 121.223 -0.365 0.000 2.418 93 L HA 0.292 4.632 4.340 -0.000 0.000 0.265 93 L C -1.484 174.950 176.870 -0.728 0.000 1.143 93 L CA -1.775 52.633 54.840 -0.721 0.000 0.809 93 L CB 0.955 42.286 42.059 -1.213 0.000 1.124 93 L HN 0.520 nan 8.230 nan 0.000 0.456 94 P HA -0.194 nan 4.420 nan 0.000 0.215 94 P C 0.863 178.016 177.300 -0.244 0.000 1.157 94 P CA 1.535 64.394 63.100 -0.401 0.000 0.874 94 P CB -0.030 31.477 31.700 -0.322 0.000 0.790 95 W N -0.122 121.125 121.300 -0.090 0.000 2.961 95 W HA 0.137 4.800 4.660 0.004 0.000 0.240 95 W C 0.840 177.353 176.519 -0.009 0.000 1.305 95 W CA 0.115 57.426 57.345 -0.056 0.000 1.465 95 W CB -1.454 27.958 29.460 -0.080 0.000 1.135 95 W HN 0.036 nan 8.180 nan 0.000 0.688 96 E N 0.894 121.050 120.200 -0.073 0.000 2.479 96 E HA 0.217 4.567 4.350 -0.000 0.000 0.193 96 E C 0.947 177.574 176.600 0.044 0.000 1.049 96 E CA -0.115 56.293 56.400 0.013 0.000 0.870 96 E CB 0.092 29.753 29.700 -0.066 0.000 0.944 96 E HN 0.226 nan 8.360 nan 0.000 0.492 97 A N 1.646 124.494 122.820 0.047 0.000 2.462 97 A HA 0.427 4.747 4.320 -0.000 0.000 0.243 97 A C 0.412 178.095 177.584 0.165 0.000 1.076 97 A CA -0.101 51.996 52.037 0.100 0.000 0.773 97 A CB 0.279 19.310 19.000 0.053 0.000 1.010 97 A HN 0.225 nan 8.150 nan 0.000 0.493 98 A N 1.802 124.761 122.820 0.233 0.000 2.488 98 A HA 0.518 4.838 4.320 -0.000 0.000 0.249 98 A C 0.839 178.529 177.584 0.177 0.000 1.083 98 A CA 0.310 52.448 52.037 0.169 0.000 0.768 98 A CB -0.308 18.756 19.000 0.107 0.000 1.017 98 A HN 2.095 nan 8.150 nan 0.000 0.496 99 A N 2.043 124.929 122.820 0.110 0.000 2.401 99 A HA 0.536 4.856 4.320 -0.000 0.000 0.259 99 A C 1.468 179.090 177.584 0.064 0.000 1.103 99 A CA 0.362 52.458 52.037 0.098 0.000 0.789 99 A CB -0.447 18.598 19.000 0.075 0.000 1.035 99 A HN 2.724 nan 8.150 nan 0.000 0.491 100 G N 0.591 109.438 108.800 0.079 0.000 2.258 100 G HA2 0.023 3.982 3.960 -0.000 0.000 0.274 100 G HA3 0.023 3.982 3.960 -0.000 0.000 0.274 100 G C 0.726 175.616 174.900 -0.017 0.000 1.021 100 G CA 0.792 45.919 45.100 0.045 0.000 0.798 100 G HN 2.020 nan 8.290 nan 0.000 0.507 101 A N -1.545 121.227 122.820 -0.080 0.000 2.431 101 A HA 0.677 4.997 4.320 -0.000 0.000 0.239 101 A C 0.387 177.652 177.584 -0.532 0.000 1.230 101 A CA 0.244 52.085 52.037 -0.325 0.000 0.928 101 A CB 0.485 19.203 19.000 -0.469 0.000 1.006 101 A HN 0.538 nan 8.150 nan 0.000 0.520 102 Y N -0.515 119.807 120.300 0.036 0.000 2.509 102 Y HA 0.407 4.956 4.550 -0.002 0.000 0.341 102 Y C 0.513 176.445 175.900 0.053 0.000 1.038 102 Y CA -1.097 57.029 58.100 0.043 0.000 1.089 102 Y CB 1.417 39.911 38.460 0.056 0.000 1.241 102 Y HN 0.117 nan 8.280 nan 0.000 0.468 103 D N 0.912 121.438 120.400 0.210 0.000 2.338 103 D HA 0.077 4.716 4.640 -0.000 0.000 0.208 103 D C -0.453 176.028 176.300 0.301 0.000 0.997 103 D CA 0.890 54.983 54.000 0.154 0.000 0.880 103 D CB 0.855 41.634 40.800 -0.034 0.000 0.980 103 D HN 0.237 nan 8.370 nan 0.000 0.509 104 L N 0.657 122.052 121.223 0.288 0.000 2.445 104 L HA 0.413 4.752 4.340 -0.000 0.000 0.262 104 L C -1.571 175.404 176.870 0.175 0.000 0.974 104 L CA -0.728 54.278 54.840 0.275 0.000 0.822 104 L CB 2.579 44.832 42.059 0.324 0.000 1.339 104 L HN -0.351 nan 8.230 nan 0.000 0.409 105 V N 4.694 124.688 119.914 0.134 0.000 2.588 105 V HA 0.619 4.738 4.120 -0.000 0.000 0.304 105 V C -0.836 175.324 176.094 0.109 0.000 1.042 105 V CA -0.697 61.640 62.300 0.062 0.000 0.877 105 V CB 2.165 34.008 31.823 0.033 0.000 0.996 105 V HN 0.508 nan 8.190 nan 0.000 0.425 106 V N 5.848 125.805 119.914 0.072 0.000 2.417 106 V HA 0.586 4.706 4.120 -0.000 0.000 0.291 106 V C -0.724 175.392 176.094 0.036 0.000 1.024 106 V CA -0.527 61.824 62.300 0.085 0.000 0.861 106 V CB 1.610 33.453 31.823 0.034 0.000 0.985 106 V HN 0.635 nan 8.190 nan 0.000 0.436 107 L N 5.518 126.769 121.223 0.047 0.000 2.504 107 L HA 0.813 5.153 4.340 -0.000 0.000 0.265 107 L C 0.036 176.909 176.870 0.006 0.000 0.975 107 L CA -0.323 54.532 54.840 0.024 0.000 0.864 107 L CB 1.383 43.466 42.059 0.039 0.000 1.212 107 L HN 0.689 nan 8.230 nan 0.000 0.416 108 A N 5.656 128.433 122.820 -0.070 0.000 2.354 108 A HA 0.525 4.845 4.320 -0.000 0.000 0.281 108 A C -0.062 177.520 177.584 -0.003 0.000 1.174 108 A CA -0.430 51.524 52.037 -0.137 0.000 0.828 108 A CB -0.122 18.551 19.000 -0.544 0.000 1.099 108 A HN 0.776 nan 8.150 nan 0.000 0.516 109 L N 5.031 126.294 121.223 0.066 0.000 2.628 109 L HA 0.096 4.436 4.340 -0.000 0.000 0.274 109 L C -1.291 175.633 176.870 0.090 0.000 1.209 109 L CA -0.704 54.181 54.840 0.075 0.000 0.930 109 L CB 0.421 42.562 42.059 0.135 0.000 1.183 109 L HN 0.580 nan 8.230 nan 0.000 0.492 110 P HA 0.082 nan 4.420 nan 0.000 0.220 110 P C 0.663 178.014 177.300 0.084 0.000 1.778 110 P CA -0.095 63.075 63.100 0.116 0.000 0.912 110 P CB 0.713 32.535 31.700 0.204 0.000 1.861 111 A N 1.672 124.550 122.820 0.096 0.000 1.948 111 A HA -0.153 4.167 4.320 -0.000 0.000 0.220 111 A C 2.365 180.019 177.584 0.116 0.000 1.177 111 A CA 2.090 54.208 52.037 0.135 0.000 0.636 111 A CB -1.753 17.383 19.000 0.227 0.000 0.815 111 A HN 0.383 nan 8.150 nan 0.000 0.449 112 G N -1.241 107.611 108.800 0.087 0.000 2.498 112 G HA2 -0.186 3.774 3.960 -0.000 0.000 0.219 112 G HA3 -0.186 3.774 3.960 -0.000 0.000 0.219 112 G C 1.489 176.398 174.900 0.014 0.000 1.119 112 G CA 0.589 45.722 45.100 0.056 0.000 0.766 112 G HN 0.434 nan 8.290 nan 0.000 0.552 113 R N 0.274 120.764 120.500 -0.016 0.000 2.275 113 R HA 0.213 4.553 4.340 -0.000 0.000 0.199 113 R C 1.271 177.588 176.300 0.028 0.000 0.989 113 R CA 0.694 56.738 56.100 -0.093 0.000 1.016 113 R CB -0.513 29.574 30.300 -0.356 0.000 0.918 113 R HN 0.442 nan 8.270 nan 0.000 0.473 114 G N -0.464 108.386 108.800 0.083 0.000 2.619 114 G HA2 -0.230 3.730 3.960 -0.000 0.000 0.686 114 G HA3 -0.230 3.730 3.960 -0.000 0.000 0.686 114 G C 0.533 175.522 174.900 0.147 0.000 1.256 114 G CA -0.241 44.928 45.100 0.115 0.000 0.826 114 G HN 0.006 nan 8.290 nan 0.000 0.619 115 T N 0.991 115.646 114.554 0.168 0.000 2.746 115 T HA 0.034 4.383 4.350 -0.000 0.000 0.267 115 T C 2.919 177.688 174.700 0.116 0.000 1.039 115 T CA 2.998 65.216 62.100 0.197 0.000 1.142 115 T CB -0.511 68.486 68.868 0.215 0.000 0.866 115 T HN 1.640 nan 8.240 nan 0.000 0.444 116 A N 0.490 123.371 122.820 0.102 0.000 1.883 116 A HA -0.148 4.172 4.320 -0.000 0.000 0.217 116 A C 2.115 179.735 177.584 0.060 0.000 1.186 116 A CA 1.719 53.791 52.037 0.058 0.000 0.624 116 A CB -1.137 17.894 19.000 0.051 0.000 0.822 116 A HN 0.591 nan 8.150 nan 0.000 0.444 117 Y N 0.261 120.576 120.300 0.025 0.000 2.181 117 Y HA -0.157 4.394 4.550 0.001 0.000 0.288 117 Y C 2.443 178.376 175.900 0.055 0.000 1.146 117 Y CA 1.812 59.967 58.100 0.091 0.000 1.164 117 Y CB -0.121 38.405 38.460 0.111 0.000 0.982 117 Y HN 0.086 nan 8.280 nan 0.000 0.515 118 V N 0.401 120.378 119.914 0.105 0.000 2.295 118 V HA -0.348 3.771 4.120 -0.000 0.000 0.246 118 V C 2.125 178.131 176.094 -0.146 0.000 1.049 118 V CA 2.352 64.579 62.300 -0.122 0.000 1.024 118 V CB -0.700 30.797 31.823 -0.544 0.000 0.648 118 V HN 0.454 nan 8.190 nan 0.000 0.447 119 Q N -0.230 119.516 119.800 -0.090 0.000 2.119 119 Q HA -0.136 4.204 4.340 -0.000 0.000 0.201 119 Q C 2.400 178.369 176.000 -0.052 0.000 0.972 119 Q CA 1.584 57.362 55.803 -0.042 0.000 0.847 119 Q CB -0.389 28.352 28.738 0.006 0.000 0.903 119 Q HN 0.676 nan 8.270 nan 0.000 0.433 120 A N 0.661 123.429 122.820 -0.086 0.000 1.933 120 A HA -0.158 4.162 4.320 -0.000 0.000 0.218 120 A C 2.271 179.872 177.584 0.027 0.000 1.175 120 A CA 1.608 53.583 52.037 -0.105 0.000 0.628 120 A CB -0.400 18.421 19.000 -0.299 0.000 0.814 120 A HN 0.231 nan 8.150 nan 0.000 0.444 121 S N -0.151 115.546 115.700 -0.006 0.000 2.383 121 S HA -0.038 4.432 4.470 -0.000 0.000 0.227 121 S C 1.801 176.406 174.600 0.008 0.000 1.026 121 S CA 1.219 59.420 58.200 0.002 0.000 0.981 121 S CB -0.394 62.785 63.200 -0.035 0.000 0.818 121 S HN 0.508 nan 8.310 nan 0.000 0.472 122 L N 0.959 122.176 121.223 -0.010 0.000 2.017 122 L HA -0.075 4.265 4.340 -0.000 0.000 0.208 122 L C 2.301 179.182 176.870 0.018 0.000 1.073 122 L CA 0.953 55.795 54.840 0.003 0.000 0.745 122 L CB -0.646 41.412 42.059 -0.002 0.000 0.894 122 L HN 0.206 nan 8.230 nan 0.000 0.432 123 V N -0.057 119.866 119.914 0.014 0.000 2.427 123 V HA -0.237 3.883 4.120 -0.000 0.000 0.248 123 V C 2.720 178.842 176.094 0.046 0.000 1.051 123 V CA 1.586 63.899 62.300 0.022 0.000 1.048 123 V CB -0.825 31.000 31.823 0.003 0.000 0.666 123 V HN 0.461 nan 8.190 nan 0.000 0.456 124 A N 0.219 123.079 122.820 0.066 0.000 1.902 124 A HA -0.130 4.190 4.320 -0.000 0.000 0.217 124 A C 2.438 180.060 177.584 0.064 0.000 1.181 124 A CA 2.116 54.208 52.037 0.091 0.000 0.623 124 A CB -0.744 18.327 19.000 0.118 0.000 0.818 124 A HN 0.557 nan 8.150 nan 0.000 0.443 125 A N -0.182 122.664 122.820 0.044 0.000 1.902 125 A HA 0.180 4.500 4.320 -0.000 0.000 0.217 125 A C 2.509 180.129 177.584 0.059 0.000 1.181 125 A CA 2.048 54.109 52.037 0.040 0.000 0.623 125 A CB -1.028 17.992 19.000 0.033 0.000 0.818 125 A HN 1.075 nan 8.150 nan 0.000 0.443 126 A N -0.238 122.613 122.820 0.053 0.000 1.933 126 A HA -0.161 4.158 4.320 -0.000 0.000 0.218 126 A C 2.250 179.874 177.584 0.066 0.000 1.175 126 A CA 1.564 53.633 52.037 0.054 0.000 0.628 126 A CB -0.412 18.611 19.000 0.039 0.000 0.814 126 A HN 0.562 nan 8.150 nan 0.000 0.444 127 R N -0.766 119.776 120.500 0.070 0.000 2.119 127 R HA 0.081 4.421 4.340 -0.000 0.000 0.222 127 R C 2.404 178.770 176.300 0.110 0.000 1.088 127 R CA 0.933 57.081 56.100 0.080 0.000 0.984 127 R CB -0.345 30.002 30.300 0.078 0.000 0.884 127 R HN 0.485 nan 8.270 nan 0.000 0.447 128 A N 1.363 124.264 122.820 0.135 0.000 1.969 128 A HA -0.005 4.315 4.320 -0.000 0.000 0.218 128 A C 1.100 178.843 177.584 0.265 0.000 1.169 128 A CA 0.624 52.800 52.037 0.231 0.000 0.635 128 A CB -0.270 18.844 19.000 0.191 0.000 0.810 128 A HN 0.102 nan 8.150 nan 0.000 0.445 129 L N 0.912 122.243 121.223 0.179 0.000 2.397 129 L HA 0.235 4.575 4.340 -0.000 0.000 0.271 129 L C 0.853 177.794 176.870 0.119 0.000 1.148 129 L CA -0.642 54.297 54.840 0.166 0.000 0.825 129 L CB 0.754 42.892 42.059 0.132 0.000 1.117 129 L HN 0.519 nan 8.230 nan 0.000 0.456 130 R N 2.383 122.946 120.500 0.106 0.000 2.577 130 R HA 0.444 4.784 4.340 -0.000 0.000 0.269 130 R C -0.182 176.161 176.300 0.072 0.000 1.084 130 R CA -0.979 55.160 56.100 0.066 0.000 1.163 130 R CB 0.491 30.816 30.300 0.043 0.000 1.100 130 R HN 0.344 nan 8.270 nan 0.000 0.547 131 M N 1.527 121.159 119.600 0.053 0.000 2.251 131 M HA 0.137 4.617 4.480 -0.000 0.000 0.343 131 M C 0.988 177.327 176.300 0.066 0.000 1.245 131 M CA 1.725 57.057 55.300 0.053 0.000 1.061 131 M CB 0.263 32.885 32.600 0.036 0.000 1.723 131 M HN 0.967 nan 8.290 nan 0.000 0.449 132 G N 2.761 111.607 108.800 0.076 0.000 2.176 132 G HA2 -0.178 3.781 3.960 -0.000 0.000 0.253 132 G HA3 -0.178 3.781 3.960 -0.000 0.000 0.253 132 G C 0.439 175.445 174.900 0.176 0.000 0.979 132 G CA 0.091 45.251 45.100 0.101 0.000 0.641 132 G HN 1.225 nan 8.290 nan 0.000 0.530 133 G N -0.494 108.405 108.800 0.165 0.000 2.667 133 G HA2 0.519 4.479 3.960 -0.000 0.000 0.250 133 G HA3 0.519 4.479 3.960 -0.000 0.000 0.250 133 G C 0.086 175.089 174.900 0.172 0.000 1.212 133 G CA -0.317 44.922 45.100 0.232 0.000 0.874 133 G HN 0.386 nan 8.290 nan 0.000 0.561 134 R N -0.732 119.871 120.500 0.173 0.000 2.740 134 R HA 0.516 4.856 4.340 -0.000 0.000 0.282 134 R C -1.424 174.862 176.300 -0.023 0.000 0.969 134 R CA -0.907 55.169 56.100 -0.039 0.000 0.918 134 R CB 2.014 32.110 30.300 -0.341 0.000 1.175 134 R HN 0.376 nan 8.270 nan 0.000 0.464 135 L N 1.924 123.092 121.223 -0.090 0.000 2.409 135 L HA 0.422 4.762 4.340 -0.000 0.000 0.272 135 L C -1.675 175.140 176.870 -0.092 0.000 0.980 135 L CA -0.566 54.255 54.840 -0.032 0.000 0.826 135 L CB 1.329 43.406 42.059 0.030 0.000 1.268 135 L HN 0.415 nan 8.230 nan 0.000 0.407 136 Y N 5.597 125.917 120.300 0.033 0.000 2.404 136 Y HA 0.555 5.104 4.550 -0.000 0.000 0.344 136 Y C -0.490 175.430 175.900 0.035 0.000 0.970 136 Y CA -0.169 57.943 58.100 0.020 0.000 1.180 136 Y CB 1.498 39.953 38.460 -0.007 0.000 1.138 136 Y HN 0.538 nan 8.280 nan 0.000 0.510 137 L N 4.086 125.437 121.223 0.213 0.000 2.298 137 L HA 0.838 5.178 4.340 -0.000 0.000 0.284 137 L C -0.546 176.483 176.870 0.264 0.000 1.013 137 L CA -0.468 54.495 54.840 0.205 0.000 0.824 137 L CB 0.798 42.981 42.059 0.206 0.000 1.221 137 L HN 0.609 nan 8.230 nan 0.000 0.418 138 A N 3.198 126.135 122.820 0.194 0.000 2.355 138 A HA 0.996 5.315 4.320 -0.000 0.000 0.324 138 A C -0.119 177.600 177.584 0.225 0.000 1.117 138 A CA 0.197 52.317 52.037 0.139 0.000 0.785 138 A CB 1.420 20.410 19.000 -0.018 0.000 1.254 138 A HN 0.940 nan 8.150 nan 0.000 0.453 139 G N -0.172 108.736 108.800 0.179 0.000 2.561 139 G HA2 0.512 4.472 3.960 -0.000 0.000 0.310 139 G HA3 0.512 4.472 3.960 -0.000 0.000 0.310 139 G C -2.229 172.769 174.900 0.164 0.000 1.292 139 G CA -0.297 44.987 45.100 0.307 0.000 0.811 139 G HN 0.677 nan 8.290 nan 0.000 0.482 140 D N -0.382 120.171 120.400 0.255 0.000 2.492 140 D HA 0.338 4.977 4.640 -0.000 0.000 0.248 140 D C 0.966 177.344 176.300 0.130 0.000 1.101 140 D CA -0.591 53.495 54.000 0.143 0.000 0.840 140 D CB 2.014 42.942 40.800 0.214 0.000 1.209 140 D HN 0.332 nan 8.370 nan 0.000 0.524 141 K N 2.149 122.554 120.400 0.009 0.000 2.281 141 K HA -0.099 4.221 4.320 -0.000 0.000 0.203 141 K C 0.904 177.533 176.600 0.050 0.000 1.046 141 K CA 0.907 57.243 56.287 0.082 0.000 0.938 141 K CB 0.079 32.580 32.500 0.002 0.000 0.737 141 K HN 0.463 nan 8.250 nan 0.000 0.458 142 N N 0.583 119.285 118.700 0.003 0.000 2.467 142 N HA -0.031 4.709 4.740 -0.000 0.000 0.184 142 N C 0.124 175.671 175.510 0.061 0.000 1.106 142 N CA 0.367 53.425 53.050 0.013 0.000 0.892 142 N CB 0.288 38.763 38.487 -0.019 0.000 0.969 142 N HN 0.036 nan 8.380 nan 0.000 0.454 143 K N -0.109 120.357 120.400 0.110 0.000 3.084 143 K HA 0.211 4.531 4.320 -0.000 0.000 0.210 143 K C 0.176 176.900 176.600 0.207 0.000 1.137 143 K CA -0.206 56.175 56.287 0.156 0.000 1.010 143 K CB 1.187 33.798 32.500 0.185 0.000 0.806 143 K HN 0.094 nan 8.250 nan 0.000 0.460 144 G N 1.077 109.941 108.800 0.107 0.000 2.148 144 G HA2 -0.358 3.602 3.960 -0.000 0.000 0.254 144 G HA3 -0.358 3.602 3.960 -0.000 0.000 0.254 144 G C 0.576 175.485 174.900 0.015 0.000 0.981 144 G CA 0.412 45.482 45.100 -0.050 0.000 0.670 144 G HN 0.505 nan 8.290 nan 0.000 0.528 145 F N 1.146 121.154 119.950 0.096 0.000 2.065 145 F HA -0.104 4.423 4.527 0.001 0.000 0.298 145 F C 2.396 178.279 175.800 0.139 0.000 1.112 145 F CA 2.750 60.843 58.000 0.155 0.000 1.212 145 F CB -0.212 38.843 39.000 0.092 0.000 0.975 145 F HN 0.415 nan 8.300 nan 0.000 0.476 146 E N -0.104 120.137 120.200 0.067 0.000 2.070 146 E HA -0.303 4.047 4.350 -0.000 0.000 0.197 146 E C 2.386 178.913 176.600 -0.122 0.000 1.004 146 E CA 1.520 57.926 56.400 0.011 0.000 0.805 146 E CB -0.381 29.376 29.700 0.095 0.000 0.744 146 E HN 0.437 nan 8.360 nan 0.000 0.451 147 R N 0.173 120.543 120.500 -0.216 0.000 2.070 147 R HA -0.180 4.160 4.340 -0.000 0.000 0.233 147 R C 2.108 178.249 176.300 -0.266 0.000 1.137 147 R CA 1.559 57.479 56.100 -0.300 0.000 0.945 147 R CB -0.238 29.776 30.300 -0.476 0.000 0.845 147 R HN 0.189 nan 8.270 nan 0.000 0.430 148 Y N -0.276 119.971 120.300 -0.089 0.000 2.242 148 Y HA -0.166 4.383 4.550 -0.001 0.000 0.291 148 Y C 2.010 177.827 175.900 -0.137 0.000 1.137 148 Y CA 0.881 58.927 58.100 -0.090 0.000 1.181 148 Y CB -0.806 37.629 38.460 -0.042 0.000 0.989 148 Y HN 0.148 nan 8.280 nan 0.000 0.527 149 F N 1.428 121.177 119.950 -0.335 0.000 2.134 149 F HA -0.156 4.372 4.527 0.000 0.000 0.299 149 F C 1.889 177.555 175.800 -0.223 0.000 1.097 149 F CA 1.543 59.286 58.000 -0.428 0.000 1.264 149 F CB -0.443 38.036 39.000 -0.868 0.000 1.001 149 F HN -0.105 nan 8.300 nan 0.000 0.479 150 K N 0.056 120.185 120.400 -0.451 0.000 2.155 150 K HA -0.124 4.196 4.320 -0.000 0.000 0.203 150 K C 1.965 178.391 176.600 -0.288 0.000 1.052 150 K CA 1.480 57.480 56.287 -0.477 0.000 0.948 150 K CB -0.236 32.092 32.500 -0.288 0.000 0.728 150 K HN 0.417 nan 8.250 nan 0.000 0.448 151 E N 0.666 120.769 120.200 -0.162 0.000 2.107 151 E HA -0.106 4.243 4.350 -0.000 0.000 0.191 151 E C 2.025 178.580 176.600 -0.075 0.000 0.982 151 E CA 0.755 57.108 56.400 -0.077 0.000 0.809 151 E CB 0.005 29.717 29.700 0.019 0.000 0.756 151 E HN 0.288 nan 8.360 nan 0.000 0.459 152 A N 1.418 124.191 122.820 -0.077 0.000 1.930 152 A HA -0.153 4.167 4.320 -0.000 0.000 0.217 152 A C 2.058 179.581 177.584 -0.103 0.000 1.175 152 A CA 0.974 52.983 52.037 -0.047 0.000 0.627 152 A CB -0.280 18.730 19.000 0.018 0.000 0.815 152 A HN 0.040 nan 8.150 nan 0.000 0.443 153 R N -0.686 119.670 120.500 -0.240 0.000 2.096 153 R HA -0.104 4.236 4.340 -0.000 0.000 0.235 153 R C 2.435 178.642 176.300 -0.156 0.000 1.127 153 R CA 1.210 57.154 56.100 -0.261 0.000 0.968 153 R CB -0.390 29.622 30.300 -0.480 0.000 0.861 153 R HN 0.524 nan 8.270 nan 0.000 0.440 154 A N 0.867 123.601 122.820 -0.143 0.000 1.930 154 A HA -0.111 4.208 4.320 -0.000 0.000 0.217 154 A C 2.153 179.705 177.584 -0.053 0.000 1.175 154 A CA 1.012 52.995 52.037 -0.090 0.000 0.627 154 A CB -0.376 18.575 19.000 -0.082 0.000 0.815 154 A HN 0.197 nan 8.150 nan 0.000 0.443 155 L N -1.126 120.070 121.223 -0.044 0.000 2.072 155 L HA -0.100 4.239 4.340 -0.000 0.000 0.205 155 L C 2.405 179.271 176.870 -0.006 0.000 1.079 155 L CA 1.017 55.846 54.840 -0.018 0.000 0.752 155 L CB -0.301 41.753 42.059 -0.008 0.000 0.906 155 L HN 0.370 nan 8.230 nan 0.000 0.436 156 L N -2.274 118.944 121.223 -0.008 0.000 2.269 156 L HA 0.282 4.622 4.340 -0.000 0.000 0.200 156 L C 1.539 178.422 176.870 0.023 0.000 1.069 156 L CA 0.732 55.582 54.840 0.015 0.000 0.804 156 L CB -0.143 41.933 42.059 0.027 0.000 0.987 156 L HN 0.400 nan 8.230 nan 0.000 0.468 157 G N -0.985 107.817 108.800 0.003 0.000 1.819 157 G HA2 -0.286 3.674 3.960 -0.000 0.000 0.217 157 G HA3 -0.286 3.674 3.960 -0.000 0.000 0.217 157 G C -0.578 174.344 174.900 0.036 0.000 1.982 157 G CA -0.093 45.021 45.100 0.022 0.000 1.468 157 G HN 0.027 nan 8.290 nan 0.000 0.474 158 Y N 3.008 123.291 120.300 -0.027 0.000 2.411 158 Y HA 0.490 5.040 4.550 -0.001 0.000 0.333 158 Y C 0.480 176.380 175.900 0.000 0.000 1.186 158 Y CA 0.930 59.020 58.100 -0.017 0.000 1.381 158 Y CB 1.312 39.762 38.460 -0.016 0.000 1.273 158 Y HN 1.287 nan 8.280 nan 0.000 0.546 159 G N 4.453 112.771 108.800 -0.803 0.000 2.617 159 G HA2 0.488 4.447 3.960 -0.000 0.000 0.305 159 G HA3 0.488 4.447 3.960 -0.000 0.000 0.305 159 G C -2.152 172.601 174.900 -0.245 0.000 1.436 159 G CA -0.250 44.596 45.100 -0.423 0.000 1.036 159 G HN 1.238 nan 8.290 nan 0.000 0.589 160 V N -0.659 119.178 119.914 -0.128 0.000 3.114 160 V HA 0.864 4.984 4.120 -0.000 0.000 0.308 160 V C -0.131 175.930 176.094 -0.055 0.000 1.168 160 V CA -1.212 61.091 62.300 0.005 0.000 1.015 160 V CB 1.551 33.319 31.823 -0.092 0.000 1.050 160 V HN 0.797 nan 8.190 nan 0.000 0.433 161 V N 2.778 122.629 119.914 -0.105 0.000 2.637 161 V HA 0.264 4.384 4.120 -0.000 0.000 0.296 161 V C 1.260 177.315 176.094 -0.064 0.000 1.046 161 V CA 0.759 62.962 62.300 -0.162 0.000 1.066 161 V CB 1.303 33.037 31.823 -0.147 0.000 0.968 161 V HN 1.217 nan 8.190 nan 0.000 0.483 162 V N 1.763 121.650 119.914 -0.045 0.000 3.477 162 V HA 0.576 4.696 4.120 -0.000 0.000 0.297 162 V C 0.341 176.427 176.094 -0.013 0.000 1.433 162 V CA -0.041 62.260 62.300 0.001 0.000 1.052 162 V CB 0.159 32.020 31.823 0.062 0.000 0.895 162 V HN 0.735 nan 8.190 nan 0.000 0.438 163 R N 0.615 121.084 120.500 -0.052 0.000 2.604 163 R HA 0.656 4.996 4.340 -0.000 0.000 0.261 163 R C -1.326 174.915 176.300 -0.099 0.000 1.080 163 R CA -0.335 55.728 56.100 -0.061 0.000 0.917 163 R CB 1.683 31.949 30.300 -0.056 0.000 1.252 163 R HN 0.443 nan 8.270 nan 0.000 0.456 164 R N 1.729 122.182 120.500 -0.077 0.000 2.744 164 R HA 0.570 4.909 4.340 -0.000 0.000 0.279 164 R C -1.258 175.016 176.300 -0.043 0.000 0.977 164 R CA -1.063 54.985 56.100 -0.086 0.000 0.906 164 R CB 2.563 32.815 30.300 -0.082 0.000 1.197 164 R HN 0.655 nan 8.270 nan 0.000 0.463 165 E N 0.877 121.065 120.200 -0.021 0.000 2.539 165 E HA 0.292 4.642 4.350 -0.000 0.000 0.332 165 E C -0.093 176.542 176.600 0.058 0.000 0.910 165 E CA 0.388 56.808 56.400 0.034 0.000 0.785 165 E CB 0.903 30.643 29.700 0.067 0.000 1.406 165 E HN 0.814 nan 8.360 nan 0.000 0.391 166 G N 5.132 113.926 108.800 -0.010 0.000 2.583 166 G HA2 -0.282 3.677 3.960 -0.000 0.000 0.292 166 G HA3 -0.282 3.677 3.960 -0.000 0.000 0.292 166 G C -1.449 173.326 174.900 -0.208 0.000 1.203 166 G CA 0.106 45.158 45.100 -0.081 0.000 0.987 166 G HN 0.557 nan 8.290 nan 0.000 0.554 167 P HA 0.238 nan 4.420 nan 0.000 0.255 167 P C -0.308 176.666 177.300 -0.543 0.000 1.248 167 P CA 0.278 63.100 63.100 -0.462 0.000 0.807 167 P CB 0.111 31.521 31.700 -0.483 0.000 1.150 168 Y N 1.083 121.303 120.300 -0.134 0.000 2.299 168 Y HA 0.437 4.987 4.550 -0.001 0.000 0.326 168 Y C 1.376 177.077 175.900 -0.331 0.000 1.164 168 Y CA -0.167 57.815 58.100 -0.196 0.000 1.234 168 Y CB 0.742 39.127 38.460 -0.124 0.000 1.219 168 Y HN -0.232 nan 8.280 nan 0.000 0.497 169 R N 1.178 121.438 120.500 -0.400 0.000 2.740 169 R HA 0.749 5.089 4.340 -0.000 0.000 0.273 169 R C -1.881 174.099 176.300 -0.534 0.000 0.998 169 R CA -1.113 54.578 56.100 -0.683 0.000 0.900 169 R CB 2.332 31.739 30.300 -1.489 0.000 1.223 169 R HN 0.459 nan 8.270 nan 0.000 0.466 170 V N 0.924 120.652 119.914 -0.309 0.000 2.577 170 V HA 0.707 4.827 4.120 -0.000 0.000 0.303 170 V C -0.516 175.562 176.094 -0.026 0.000 1.042 170 V CA -0.837 61.416 62.300 -0.079 0.000 0.872 170 V CB 1.798 33.598 31.823 -0.040 0.000 0.998 170 V HN 0.937 nan 8.190 nan 0.000 0.423 171 A N 4.358 127.223 122.820 0.075 0.000 2.356 171 A HA 0.979 5.299 4.320 -0.000 0.000 0.323 171 A C -1.469 176.145 177.584 0.050 0.000 1.119 171 A CA -0.656 51.366 52.037 -0.024 0.000 0.790 171 A CB 1.733 20.574 19.000 -0.265 0.000 1.273 171 A HN 0.824 nan 8.150 nan 0.000 0.452 172 L N 1.784 122.999 121.223 -0.014 0.000 2.343 172 L HA 0.740 5.079 4.340 -0.000 0.000 0.278 172 L C -1.459 175.386 176.870 -0.042 0.000 0.996 172 L CA -0.246 54.514 54.840 -0.134 0.000 0.831 172 L CB 0.997 42.924 42.059 -0.220 0.000 1.232 172 L HN 0.595 nan 8.230 nan 0.000 0.413 173 L N 3.638 124.844 121.223 -0.028 0.000 2.301 173 L HA 0.687 5.027 4.340 -0.000 0.000 0.264 173 L C -0.370 176.542 176.870 0.071 0.000 1.016 173 L CA -0.459 54.415 54.840 0.056 0.000 0.821 173 L CB 1.844 43.940 42.059 0.063 0.000 1.346 173 L HN 0.588 nan 8.230 nan 0.000 0.429 174 E N 0.886 121.190 120.200 0.172 0.000 2.248 174 E HA 0.281 4.630 4.350 -0.000 0.000 0.267 174 E C -1.230 175.426 176.600 0.093 0.000 0.877 174 E CA -0.891 55.569 56.400 0.100 0.000 0.759 174 E CB 1.743 31.483 29.700 0.067 0.000 1.182 174 E HN 0.476 nan 8.360 nan 0.000 0.418 175 K N 3.648 124.091 120.400 0.071 0.000 2.315 175 K HA 0.068 4.388 4.320 -0.000 0.000 0.291 175 K C 0.004 176.637 176.600 0.055 0.000 1.074 175 K CA 0.366 56.691 56.287 0.063 0.000 0.936 175 K CB 0.440 32.980 32.500 0.067 0.000 1.049 175 K HN 0.539 nan 8.250 nan 0.000 0.471 176 E N 3.568 123.798 120.200 0.050 0.000 2.490 176 E HA 0.004 4.354 4.350 -0.000 0.000 0.209 176 E C -0.471 176.147 176.600 0.029 0.000 0.971 176 E CA 0.098 56.521 56.400 0.039 0.000 0.988 176 E CB 0.600 30.326 29.700 0.044 0.000 1.029 176 E HN 0.527 nan 8.360 nan 0.000 0.496 177 K N 0.796 121.213 120.400 0.029 0.000 2.443 177 K HA 0.360 4.680 4.320 -0.000 0.000 0.251 177 K C -0.450 176.164 176.600 0.023 0.000 0.972 177 K CA -0.885 55.414 56.287 0.021 0.000 0.833 177 K CB 1.871 34.380 32.500 0.015 0.000 1.317 177 K HN -0.322 nan 8.250 nan 0.000 0.441 178 E N 0.926 121.137 120.200 0.019 0.000 2.414 178 E HA 0.080 4.430 4.350 -0.000 0.000 0.263 178 E C -0.118 176.495 176.600 0.021 0.000 1.000 178 E CA 0.063 56.476 56.400 0.021 0.000 0.914 178 E CB 1.019 30.729 29.700 0.017 0.000 0.948 178 E HN 0.679 nan 8.360 nan 0.000 0.444 179 A N 5.230 128.066 122.820 0.026 0.000 2.371 179 A HA 0.394 4.713 4.320 -0.000 0.000 0.257 179 A C -1.727 175.869 177.584 0.020 0.000 1.089 179 A CA -1.000 51.052 52.037 0.025 0.000 0.794 179 A CB -0.162 18.860 19.000 0.036 0.000 1.029 179 A HN 0.402 nan 8.150 nan 0.000 0.488 180 P HA 0.462 nan 4.420 nan 0.000 0.279 180 P C -2.796 174.510 177.300 0.010 0.000 1.276 180 P CA -1.464 61.641 63.100 0.008 0.000 0.801 180 P CB -0.344 31.357 31.700 0.002 0.000 1.127 181 P HA 0.220 nan 4.420 nan 0.000 0.274 181 P C -0.132 177.165 177.300 -0.005 0.000 1.237 181 P CA -0.246 62.858 63.100 0.006 0.000 0.793 181 P CB 0.317 32.019 31.700 0.003 0.000 0.977 182 L N 3.384 124.604 121.223 -0.006 0.000 2.485 182 L HA 0.168 4.507 4.340 -0.000 0.000 0.275 182 L C -1.339 175.492 176.870 -0.066 0.000 1.207 182 L CA -1.332 53.485 54.840 -0.038 0.000 0.855 182 L CB -0.206 41.828 42.059 -0.042 0.000 1.114 182 L HN 0.361 nan 8.230 nan 0.000 0.485 183 P HA 0.082 nan 4.420 nan 0.000 0.275 183 P C -0.813 176.415 177.300 -0.120 0.000 1.266 183 P CA -0.611 62.434 63.100 -0.092 0.000 0.793 183 P CB 0.606 32.248 31.700 -0.096 0.000 1.074 184 S N -0.062 115.587 115.700 -0.084 0.000 2.525 184 S HA 0.090 4.559 4.470 -0.000 0.000 0.285 184 S C 1.157 175.669 174.600 -0.147 0.000 1.283 184 S CA -0.413 57.746 58.200 -0.069 0.000 1.072 184 S CB -0.295 62.890 63.200 -0.024 0.000 0.867 184 S HN 0.367 nan 8.310 nan 0.000 0.492 185 L N 0.782 121.887 121.223 -0.196 0.000 2.408 185 L HA 0.342 4.681 4.340 -0.000 0.000 0.215 185 L C 0.346 176.997 176.870 -0.365 0.000 1.081 185 L CA -0.138 54.451 54.840 -0.419 0.000 0.840 185 L CB 0.023 41.637 42.059 -0.743 0.000 1.002 185 L HN 0.606 nan 8.230 nan 0.000 0.468 186 W N 0.995 122.221 121.300 -0.123 0.000 2.365 186 W HA 0.477 5.135 4.660 -0.004 0.000 0.316 186 W C 0.341 176.787 176.519 -0.122 0.000 1.164 186 W CA -0.222 57.073 57.345 -0.084 0.000 1.204 186 W CB 0.799 30.244 29.460 -0.025 0.000 1.213 186 W HN -0.176 nan 8.180 nan 0.000 0.539 187 R N 1.867 122.378 120.500 0.018 0.000 2.854 187 R HA 0.906 5.246 4.340 -0.000 0.000 0.271 187 R C -0.994 175.152 176.300 -0.256 0.000 0.994 187 R CA -1.179 54.830 56.100 -0.151 0.000 0.945 187 R CB 2.099 32.237 30.300 -0.270 0.000 1.194 187 R HN 0.508 nan 8.270 nan 0.000 0.476 188 A N 1.716 124.414 122.820 -0.203 0.000 2.549 188 A HA 0.762 5.082 4.320 -0.000 0.000 0.297 188 A C -1.553 175.991 177.584 -0.067 0.000 1.061 188 A CA -0.693 51.139 52.037 -0.340 0.000 0.690 188 A CB 1.246 19.902 19.000 -0.574 0.000 1.287 188 A HN 0.639 nan 8.150 nan 0.000 0.402 189 F N -0.364 119.503 119.950 -0.139 0.000 2.628 189 F HA 0.790 5.316 4.527 -0.001 0.000 0.309 189 F C -0.462 175.371 175.800 0.055 0.000 1.108 189 F CA -0.677 57.315 58.000 -0.015 0.000 0.971 189 F CB 1.154 40.181 39.000 0.044 0.000 1.279 189 F HN 0.352 nan 8.300 nan 0.000 0.441 190 S N 1.811 117.628 115.700 0.195 0.000 2.586 190 S HA 0.901 5.371 4.470 -0.000 0.000 0.274 190 S C -0.399 174.399 174.600 0.330 0.000 1.281 190 S CA -0.041 58.238 58.200 0.131 0.000 1.035 190 S CB 1.275 64.521 63.200 0.076 0.000 0.962 190 S HN 1.111 nan 8.310 nan 0.000 0.512 191 A N 2.950 125.951 122.820 0.302 0.000 2.574 191 A HA 0.699 5.019 4.320 -0.000 0.000 0.297 191 A C -1.033 176.751 177.584 0.334 0.000 1.062 191 A CA -0.880 51.398 52.037 0.403 0.000 0.686 191 A CB 1.246 20.650 19.000 0.673 0.000 1.285 191 A HN 0.746 nan 8.150 nan 0.000 0.403 192 R N 0.805 121.470 120.500 0.275 0.000 2.338 192 R HA 0.677 5.017 4.340 -0.000 0.000 0.317 192 R C -1.300 175.164 176.300 0.272 0.000 0.968 192 R CA -0.245 55.995 56.100 0.232 0.000 0.849 192 R CB 1.396 31.777 30.300 0.135 0.000 1.128 192 R HN 0.630 nan 8.270 nan 0.000 0.448 193 I N 4.401 125.182 120.570 0.352 0.000 2.478 193 I HA 0.167 4.337 4.170 -0.000 0.000 0.287 193 I C 0.291 176.554 176.117 0.244 0.000 1.042 193 I CA -0.712 60.763 61.300 0.291 0.000 1.067 193 I CB 1.755 39.925 38.000 0.284 0.000 1.233 193 I HN 0.645 nan 8.210 nan 0.000 0.431 194 L N 6.531 127.840 121.223 0.143 0.000 3.678 194 L HA -0.274 4.066 4.340 -0.000 0.000 0.425 194 L C 1.127 178.050 176.870 0.089 0.000 1.240 194 L CA 0.779 55.679 54.840 0.101 0.000 0.876 194 L CB -1.852 40.264 42.059 0.094 0.000 1.766 194 L HN 1.176 nan 8.230 nan 0.000 0.917 195 G N -1.771 107.079 108.800 0.082 0.000 2.148 195 G HA2 -0.048 3.912 3.960 -0.000 0.000 0.254 195 G HA3 -0.048 3.912 3.960 -0.000 0.000 0.254 195 G C 0.190 175.104 174.900 0.023 0.000 0.981 195 G CA 0.239 45.368 45.100 0.048 0.000 0.670 195 G HN 1.466 nan 8.290 nan 0.000 0.528 196 A N -0.544 122.298 122.820 0.038 0.000 2.401 196 A HA 0.780 5.100 4.320 -0.000 0.000 0.310 196 A C -0.115 177.353 177.584 -0.194 0.000 1.075 196 A CA -0.563 51.409 52.037 -0.109 0.000 0.746 196 A CB 1.327 20.225 19.000 -0.170 0.000 1.277 196 A HN 0.163 nan 8.150 nan 0.000 0.425 197 E N 0.501 120.503 120.200 -0.330 0.000 2.283 197 E HA 0.492 4.842 4.350 -0.000 0.000 0.278 197 E C -1.612 174.651 176.600 -0.561 0.000 1.027 197 E CA 0.348 56.585 56.400 -0.272 0.000 0.843 197 E CB 1.169 30.771 29.700 -0.163 0.000 1.062 197 E HN 0.529 nan 8.360 nan 0.000 0.401 198 Y N -0.320 119.908 120.300 -0.119 0.000 2.562 198 Y HA 0.270 4.819 4.550 -0.001 0.000 0.345 198 Y C -0.000 175.670 175.900 -0.383 0.000 1.045 198 Y CA -0.777 57.133 58.100 -0.316 0.000 1.028 198 Y CB 2.328 40.475 38.460 -0.522 0.000 1.297 198 Y HN 0.151 nan 8.280 nan 0.000 0.463 199 T N 3.513 117.888 114.554 -0.299 0.000 2.892 199 T HA 0.451 4.801 4.350 -0.000 0.000 0.311 199 T C -1.031 173.417 174.700 -0.420 0.000 1.033 199 T CA -0.564 61.353 62.100 -0.304 0.000 0.991 199 T CB -0.301 68.495 68.868 -0.119 0.000 0.981 199 T HN 0.207 nan 8.240 nan 0.000 0.457 200 F N 2.501 122.143 119.950 -0.512 0.000 2.384 200 F HA 0.457 4.983 4.527 -0.001 0.000 0.338 200 F C 0.921 176.408 175.800 -0.522 0.000 1.103 200 F CA -0.484 57.217 58.000 -0.499 0.000 1.157 200 F CB 0.725 39.169 39.000 -0.926 0.000 1.167 200 F HN 0.516 nan 8.300 nan 0.000 0.529 201 H N 0.488 119.587 119.070 0.049 0.000 2.538 201 H HA 0.565 5.119 4.556 -0.003 0.000 0.353 201 H C -0.979 174.550 175.328 0.333 0.000 1.109 201 H CA -0.847 55.275 56.048 0.122 0.000 1.192 201 H CB 1.293 31.133 29.762 0.129 0.000 1.555 201 H HN 0.657 nan 8.280 nan 0.000 0.518 202 H N 0.534 119.839 119.070 0.392 0.000 3.064 202 H HA 0.499 5.057 4.556 0.002 0.000 0.352 202 H C -1.572 173.683 175.328 -0.121 0.000 1.260 202 H CA -0.961 55.193 56.048 0.176 0.000 1.160 202 H CB 0.631 30.421 29.762 0.046 0.000 1.879 202 H HN 0.405 nan 8.280 nan 0.000 0.544 203 L N 1.185 122.288 121.223 -0.200 0.000 2.472 203 L HA 0.525 4.865 4.340 -0.000 0.000 0.256 203 L C -2.015 174.878 176.870 0.038 0.000 1.111 203 L CA -2.252 52.358 54.840 -0.382 0.000 0.800 203 L CB 0.737 42.542 42.059 -0.422 0.000 1.286 203 L HN 0.518 nan 8.230 nan 0.000 0.479 204 P HA 0.123 nan 4.420 nan 0.000 0.272 204 P C 0.369 177.903 177.300 0.389 0.000 1.223 204 P CA 0.469 63.677 63.100 0.180 0.000 0.784 204 P CB 0.641 32.380 31.700 0.065 0.000 0.923 205 G N -0.054 108.913 108.800 0.278 0.000 2.179 205 G HA2 -0.213 3.747 3.960 -0.000 0.000 0.260 205 G HA3 -0.213 3.747 3.960 -0.000 0.000 0.260 205 G C 0.223 175.162 174.900 0.066 0.000 0.977 205 G CA 0.222 45.398 45.100 0.126 0.000 0.641 205 G HN 0.674 nan 8.290 nan 0.000 0.533 206 V N -1.591 118.390 119.914 0.110 0.000 3.003 206 V HA 0.760 4.880 4.120 -0.000 0.000 0.305 206 V C 0.902 177.056 176.094 0.101 0.000 1.078 206 V CA -0.938 61.439 62.300 0.128 0.000 1.083 206 V CB 1.144 33.091 31.823 0.207 0.000 1.039 206 V HN 0.897 nan 8.190 nan 0.000 0.481 207 F N 3.342 123.282 119.950 -0.016 0.000 2.471 207 F HA 0.421 4.948 4.527 -0.000 0.000 0.353 207 F C 1.293 177.081 175.800 -0.021 0.000 1.113 207 F CA 0.899 58.864 58.000 -0.058 0.000 1.262 207 F CB 0.542 39.478 39.000 -0.106 0.000 1.146 207 F HN 1.126 nan 8.300 nan 0.000 0.578 208 S N 3.608 118.713 115.700 -0.993 0.000 3.524 208 S HA -0.179 4.291 4.470 -0.000 0.000 0.377 208 S C -0.164 174.272 174.600 -0.274 0.000 0.949 208 S CA 0.052 57.808 58.200 -0.739 0.000 1.264 208 S CB -1.679 60.976 63.200 -0.908 0.000 0.918 208 S HN 1.445 nan 8.310 nan 0.000 0.517 209 A N 1.329 123.983 122.820 -0.276 0.000 2.462 209 A HA 0.587 4.907 4.320 -0.000 0.000 0.243 209 A C 1.870 179.289 177.584 -0.274 0.000 1.076 209 A CA 0.448 52.262 52.037 -0.372 0.000 0.773 209 A CB -0.429 18.442 19.000 -0.215 0.000 1.010 209 A HN 2.338 nan 8.150 nan 0.000 0.493 210 G N 0.738 109.434 108.800 -0.173 0.000 2.212 210 G HA2 -0.255 3.705 3.960 -0.000 0.000 0.266 210 G HA3 -0.255 3.705 3.960 -0.000 0.000 0.266 210 G C 0.093 174.241 174.900 -1.254 0.000 0.978 210 G CA 1.122 45.971 45.100 -0.419 0.000 0.632 210 G HN 1.802 nan 8.290 nan 0.000 0.537 211 K N -1.559 118.087 120.400 -1.257 0.000 2.587 211 K HA 0.643 4.963 4.320 -0.000 0.000 0.276 211 K C -0.686 175.699 176.600 -0.359 0.000 0.956 211 K CA -1.067 54.645 56.287 -0.959 0.000 0.857 211 K CB 1.586 33.830 32.500 -0.427 0.000 1.431 211 K HN 0.302 nan 8.250 nan 0.000 0.420 212 V N 1.837 121.729 119.914 -0.037 0.000 2.521 212 V HA 0.010 4.130 4.120 -0.000 0.000 0.286 212 V C 0.104 176.184 176.094 -0.022 0.000 1.034 212 V CA 0.009 62.352 62.300 0.071 0.000 1.045 212 V CB 0.777 32.693 31.823 0.155 0.000 0.974 212 V HN 0.853 nan 8.190 nan 0.000 0.480 213 D N 5.973 126.344 120.400 -0.050 0.000 2.424 213 D HA 0.129 4.769 4.640 -0.000 0.000 0.244 213 D C -1.496 174.776 176.300 -0.047 0.000 1.134 213 D CA -1.053 52.914 54.000 -0.056 0.000 0.881 213 D CB 1.487 42.310 40.800 0.039 0.000 1.191 213 D HN 0.267 nan 8.370 nan 0.000 0.445 214 P HA -0.161 nan 4.420 nan 0.000 0.216 214 P C 0.745 177.965 177.300 -0.135 0.000 1.150 214 P CA 1.590 64.687 63.100 -0.005 0.000 0.837 214 P CB 0.102 31.893 31.700 0.152 0.000 0.786 215 A N -0.784 121.750 122.820 -0.478 0.000 1.902 215 A HA -0.163 4.157 4.320 -0.000 0.000 0.217 215 A C 2.328 179.763 177.584 -0.247 0.000 1.181 215 A CA 2.093 53.753 52.037 -0.628 0.000 0.623 215 A CB -1.480 16.874 19.000 -1.076 0.000 0.818 215 A HN 0.122 nan 8.150 nan 0.000 0.443 216 S N -0.487 115.118 115.700 -0.159 0.000 2.382 216 S HA -0.131 4.338 4.470 -0.000 0.000 0.228 216 S C 1.815 176.373 174.600 -0.069 0.000 1.027 216 S CA 1.433 59.576 58.200 -0.094 0.000 0.991 216 S CB -0.378 62.783 63.200 -0.065 0.000 0.823 216 S HN 0.418 nan 8.310 nan 0.000 0.469 217 L N 1.152 122.348 121.223 -0.045 0.000 2.093 217 L HA 0.054 4.393 4.340 -0.000 0.000 0.208 217 L C 2.048 178.909 176.870 -0.014 0.000 1.085 217 L CA 1.212 56.047 54.840 -0.009 0.000 0.755 217 L CB -0.598 41.474 42.059 0.023 0.000 0.904 217 L HN 0.241 nan 8.230 nan 0.000 0.435 218 L N -1.177 120.034 121.223 -0.020 0.000 2.083 218 L HA -0.193 4.146 4.340 -0.000 0.000 0.209 218 L C 2.319 179.178 176.870 -0.019 0.000 1.083 218 L CA 1.652 56.492 54.840 -0.000 0.000 0.752 218 L CB -0.543 41.533 42.059 0.029 0.000 0.899 218 L HN 0.332 nan 8.230 nan 0.000 0.433 219 L N -1.443 119.751 121.223 -0.048 0.000 2.017 219 L HA -0.225 4.115 4.340 -0.000 0.000 0.208 219 L C 2.370 179.168 176.870 -0.120 0.000 1.073 219 L CA 1.485 56.287 54.840 -0.063 0.000 0.745 219 L CB -0.197 41.813 42.059 -0.082 0.000 0.894 219 L HN 0.269 nan 8.230 nan 0.000 0.432 220 L N -0.417 120.740 121.223 -0.110 0.000 2.083 220 L HA -0.226 4.114 4.340 -0.000 0.000 0.209 220 L C 2.495 179.305 176.870 -0.101 0.000 1.083 220 L CA 1.409 56.175 54.840 -0.125 0.000 0.752 220 L CB -0.547 41.471 42.059 -0.069 0.000 0.899 220 L HN 0.349 nan 8.230 nan 0.000 0.433 221 E N 0.075 120.243 120.200 -0.054 0.000 2.072 221 E HA -0.202 4.148 4.350 -0.000 0.000 0.191 221 E C 2.309 178.884 176.600 -0.042 0.000 0.985 221 E CA 1.151 57.533 56.400 -0.031 0.000 0.801 221 E CB -0.135 29.563 29.700 -0.003 0.000 0.750 221 E HN 0.498 nan 8.360 nan 0.000 0.452 222 A N 1.190 123.985 122.820 -0.042 0.000 1.930 222 A HA -0.124 4.196 4.320 -0.000 0.000 0.217 222 A C 2.161 179.708 177.584 -0.061 0.000 1.175 222 A CA 0.802 52.832 52.037 -0.011 0.000 0.627 222 A CB -0.557 18.477 19.000 0.057 0.000 0.815 222 A HN 0.271 nan 8.150 nan 0.000 0.443 223 L N -0.734 120.332 121.223 -0.262 0.000 2.046 223 L HA -0.233 4.106 4.340 -0.000 0.000 0.208 223 L C 2.700 179.425 176.870 -0.240 0.000 1.077 223 L CA 2.241 56.744 54.840 -0.561 0.000 0.747 223 L CB -0.308 41.234 42.059 -0.861 0.000 0.896 223 L HN 0.595 nan 8.230 nan 0.000 0.432 224 Q N -0.548 119.161 119.800 -0.151 0.000 2.119 224 Q HA -0.287 4.053 4.340 -0.000 0.000 0.201 224 Q C 2.049 178.024 176.000 -0.041 0.000 0.972 224 Q CA 1.753 57.511 55.803 -0.074 0.000 0.847 224 Q CB 0.026 28.736 28.738 -0.045 0.000 0.903 224 Q HN 0.518 nan 8.270 nan 0.000 0.433 225 E N 0.392 120.569 120.200 -0.038 0.000 2.106 225 E HA -0.214 4.136 4.350 -0.000 0.000 0.192 225 E C 1.839 178.425 176.600 -0.023 0.000 0.984 225 E CA 1.411 57.797 56.400 -0.024 0.000 0.806 225 E CB -0.065 29.622 29.700 -0.021 0.000 0.750 225 E HN 0.197 nan 8.360 nan 0.000 0.458 226 R N -0.282 120.208 120.500 -0.017 0.000 2.100 226 R HA 0.156 4.496 4.340 -0.000 0.000 0.220 226 R C 1.879 178.191 176.300 0.021 0.000 1.091 226 R CA 1.438 57.528 56.100 -0.016 0.000 0.986 226 R CB -0.232 30.073 30.300 0.008 0.000 0.888 226 R HN 0.344 nan 8.270 nan 0.000 0.444 227 L N -0.861 120.387 121.223 0.041 0.000 2.515 227 L HA 0.423 4.762 4.340 -0.000 0.000 0.223 227 L C 0.570 177.455 176.870 0.025 0.000 1.079 227 L CA 0.052 54.925 54.840 0.055 0.000 0.857 227 L CB 0.177 42.285 42.059 0.082 0.000 1.050 227 L HN 0.461 nan 8.230 nan 0.000 0.476 228 G N 0.370 109.172 108.800 0.004 0.000 2.699 228 G HA2 -0.153 3.807 3.960 -0.000 0.000 0.686 228 G HA3 -0.153 3.807 3.960 -0.000 0.000 0.686 228 G C -2.420 172.481 174.900 0.001 0.000 1.301 228 G CA -0.660 44.442 45.100 0.003 0.000 0.816 228 G HN -0.085 nan 8.290 nan 0.000 0.595 229 P HA -0.011 nan 4.420 nan 0.000 0.217 229 P C 1.191 178.499 177.300 0.014 0.000 1.148 229 P CA 1.760 64.865 63.100 0.009 0.000 0.828 229 P CB 0.108 31.815 31.700 0.012 0.000 0.783 230 E N -1.721 118.489 120.200 0.017 0.000 2.465 230 E HA 0.177 4.527 4.350 -0.000 0.000 0.195 230 E C 1.838 178.454 176.600 0.028 0.000 1.028 230 E CA 0.080 56.493 56.400 0.022 0.000 0.899 230 E CB -1.009 28.704 29.700 0.021 0.000 1.032 230 E HN 0.126 nan 8.360 nan 0.000 0.468 231 G N 0.650 109.466 108.800 0.027 0.000 2.509 231 G HA2 -0.167 3.793 3.960 -0.000 0.000 0.218 231 G HA3 -0.167 3.793 3.960 -0.000 0.000 0.218 231 G C 1.339 176.270 174.900 0.052 0.000 1.124 231 G CA 1.154 46.278 45.100 0.040 0.000 0.776 231 G HN 0.347 nan 8.290 nan 0.000 0.547 232 V N -2.852 117.086 119.914 0.041 0.000 3.528 232 V HA 0.451 4.571 4.120 -0.000 0.000 0.294 232 V C 0.867 176.992 176.094 0.052 0.000 1.404 232 V CA -0.643 61.688 62.300 0.052 0.000 1.065 232 V CB -0.388 31.457 31.823 0.036 0.000 0.904 232 V HN 0.150 nan 8.190 nan 0.000 0.435 233 R N 1.492 122.018 120.500 0.044 0.000 2.502 233 R HA 0.380 4.720 4.340 -0.000 0.000 0.292 233 R C 1.463 177.790 176.300 0.045 0.000 0.998 233 R CA 1.283 57.408 56.100 0.042 0.000 1.056 233 R CB 0.051 30.372 30.300 0.034 0.000 0.939 233 R HN 0.879 nan 8.270 nan 0.000 0.411 234 G N 3.458 112.285 108.800 0.045 0.000 2.175 234 G HA2 -0.287 3.673 3.960 -0.000 0.000 0.265 234 G HA3 -0.287 3.673 3.960 -0.000 0.000 0.265 234 G C -0.101 174.831 174.900 0.054 0.000 0.979 234 G CA 0.218 45.345 45.100 0.045 0.000 0.663 234 G HN 0.504 nan 8.290 nan 0.000 0.533 235 R N 0.245 120.785 120.500 0.067 0.000 2.500 235 R HA 0.473 4.812 4.340 -0.000 0.000 0.277 235 R C 0.484 176.850 176.300 0.110 0.000 1.026 235 R CA -0.535 55.617 56.100 0.086 0.000 1.058 235 R CB 0.455 30.813 30.300 0.097 0.000 1.078 235 R HN 0.520 nan 8.270 nan 0.000 0.509 236 Q N 1.098 120.980 119.800 0.138 0.000 2.296 236 Q HA 0.365 4.705 4.340 -0.000 0.000 0.257 236 Q C -0.564 175.643 176.000 0.345 0.000 0.942 236 Q CA -0.423 55.512 55.803 0.218 0.000 0.939 236 Q CB 1.616 30.438 28.738 0.141 0.000 1.198 236 Q HN 0.181 nan 8.270 nan 0.000 0.429 237 V N 3.597 123.685 119.914 0.290 0.000 2.628 237 V HA 0.421 4.541 4.120 -0.000 0.000 0.306 237 V C -0.800 175.235 176.094 -0.098 0.000 1.045 237 V CA -0.925 61.460 62.300 0.141 0.000 0.905 237 V CB 1.863 33.730 31.823 0.072 0.000 0.997 237 V HN 0.562 nan 8.190 nan 0.000 0.436 238 L N 3.472 124.442 121.223 -0.422 0.000 2.325 238 L HA 0.666 5.006 4.340 -0.000 0.000 0.281 238 L C -0.752 175.918 176.870 -0.334 0.000 1.004 238 L CA 0.052 54.458 54.840 -0.723 0.000 0.823 238 L CB 1.515 42.735 42.059 -1.398 0.000 1.236 238 L HN 0.692 nan 8.230 nan 0.000 0.415 239 D N 5.296 125.551 120.400 -0.242 0.000 2.454 239 D HA 0.257 4.897 4.640 -0.000 0.000 0.225 239 D C -0.758 175.413 176.300 -0.215 0.000 1.081 239 D CA -0.123 53.780 54.000 -0.162 0.000 0.864 239 D CB 0.585 41.329 40.800 -0.095 0.000 1.040 239 D HN 0.532 nan 8.370 nan 0.000 0.517 240 L N 3.622 124.670 121.223 -0.292 0.000 2.385 240 L HA 0.387 4.726 4.340 -0.000 0.000 0.281 240 L C 1.358 178.007 176.870 -0.369 0.000 1.106 240 L CA -0.223 54.269 54.840 -0.579 0.000 0.856 240 L CB 0.803 42.258 42.059 -1.005 0.000 1.186 240 L HN 0.736 nan 8.230 nan 0.000 0.453 241 G N 2.724 111.420 108.800 -0.173 0.000 2.401 241 G HA2 -0.210 3.750 3.960 -0.000 0.000 0.283 241 G HA3 -0.210 3.750 3.960 -0.000 0.000 0.283 241 G C 0.862 175.765 174.900 0.005 0.000 1.117 241 G CA 0.050 45.210 45.100 0.100 0.000 1.051 241 G HN 0.874 nan 8.290 nan 0.000 0.510 242 A N -0.258 122.550 122.820 -0.020 0.000 2.024 242 A HA 0.428 4.748 4.320 -0.000 0.000 0.220 242 A C 2.994 180.552 177.584 -0.043 0.000 1.164 242 A CA 2.273 54.293 52.037 -0.029 0.000 0.643 242 A CB -0.574 18.426 19.000 -0.000 0.000 0.806 242 A HN 2.825 nan 8.150 nan 0.000 0.451 243 G N -0.852 107.942 108.800 -0.011 0.000 2.566 243 G HA2 -0.387 3.573 3.960 -0.000 0.000 0.280 243 G HA3 -0.387 3.573 3.960 -0.000 0.000 0.280 243 G C 0.506 175.435 174.900 0.048 0.000 1.225 243 G CA 1.042 46.127 45.100 -0.026 0.000 0.966 243 G HN 1.466 nan 8.290 nan 0.000 0.560 244 Y N 0.333 120.711 120.300 0.130 0.000 2.471 244 Y HA 0.454 5.005 4.550 0.002 0.000 0.286 244 Y C 1.812 177.839 175.900 0.212 0.000 1.188 244 Y CA -0.026 58.190 58.100 0.193 0.000 1.286 244 Y CB -0.450 38.160 38.460 0.250 0.000 1.072 244 Y HN 2.131 nan 8.280 nan 0.000 0.517 245 G N -0.376 108.480 108.800 0.093 0.000 2.141 245 G HA2 -0.164 3.796 3.960 -0.000 0.000 0.164 245 G HA3 -0.164 3.796 3.960 -0.000 0.000 0.164 245 G C 1.141 176.119 174.900 0.130 0.000 1.009 245 G CA -0.047 45.160 45.100 0.179 0.000 0.677 245 G HN 0.848 nan 8.290 nan 0.000 0.508 246 A N -0.328 122.348 122.820 -0.240 0.000 1.917 246 A HA 0.135 4.455 4.320 -0.000 0.000 0.219 246 A C 2.368 179.907 177.584 -0.076 0.000 1.182 246 A CA 2.019 53.889 52.037 -0.279 0.000 0.633 246 A CB -0.256 18.532 19.000 -0.354 0.000 0.819 246 A HN 0.897 nan 8.150 nan 0.000 0.448 247 L N -1.940 119.237 121.223 -0.076 0.000 2.253 247 L HA -0.022 4.317 4.340 -0.000 0.000 0.205 247 L C 2.652 179.505 176.870 -0.029 0.000 1.078 247 L CA 1.140 55.944 54.840 -0.059 0.000 0.805 247 L CB -0.852 41.163 42.059 -0.074 0.000 0.963 247 L HN 0.283 nan 8.230 nan 0.000 0.459 248 T N 0.945 115.499 114.554 -0.000 0.000 2.652 248 T HA -0.177 4.172 4.350 -0.000 0.000 0.267 248 T C 1.937 176.664 174.700 0.045 0.000 1.039 248 T CA 1.443 63.560 62.100 0.027 0.000 1.153 248 T CB -0.247 68.653 68.868 0.053 0.000 0.863 248 T HN 0.015 nan 8.240 nan 0.000 0.428 249 L N 1.098 122.364 121.223 0.070 0.000 1.994 249 L HA 0.000 4.340 4.340 -0.000 0.000 0.208 249 L C -0.572 176.288 176.870 -0.017 0.000 1.071 249 L CA 1.989 56.852 54.840 0.037 0.000 0.745 249 L CB -1.580 40.481 42.059 0.005 0.000 0.892 249 L HN 0.189 nan 8.230 nan 0.000 0.431 250 P HA -0.162 nan 4.420 nan 0.000 0.215 250 P C 2.089 179.421 177.300 0.053 0.000 1.153 250 P CA 1.326 64.390 63.100 -0.061 0.000 0.853 250 P CB 0.040 31.660 31.700 -0.132 0.000 0.788 251 L N -1.210 120.022 121.223 0.013 0.000 2.083 251 L HA -0.179 4.161 4.340 -0.000 0.000 0.209 251 L C 2.449 179.347 176.870 0.047 0.000 1.083 251 L CA 1.598 56.451 54.840 0.020 0.000 0.752 251 L CB -1.106 40.953 42.059 0.000 0.000 0.899 251 L HN -0.039 nan 8.230 nan 0.000 0.433 252 A N -0.103 122.752 122.820 0.059 0.000 1.898 252 A HA -0.222 4.098 4.320 -0.000 0.000 0.216 252 A C 2.416 180.048 177.584 0.079 0.000 1.181 252 A CA 1.534 53.612 52.037 0.068 0.000 0.620 252 A CB -0.509 18.534 19.000 0.071 0.000 0.819 252 A HN 0.324 nan 8.150 nan 0.000 0.442 253 R N -0.909 119.659 120.500 0.114 0.000 2.148 253 R HA 0.045 4.384 4.340 -0.000 0.000 0.227 253 R C 1.664 178.017 176.300 0.088 0.000 1.103 253 R CA 1.281 57.454 56.100 0.122 0.000 0.983 253 R CB -0.257 30.176 30.300 0.222 0.000 0.874 253 R HN 0.525 nan 8.270 nan 0.000 0.451 254 M N -0.754 118.896 119.600 0.083 0.000 2.659 254 M HA 0.097 4.577 4.480 -0.000 0.000 0.243 254 M C 0.871 177.199 176.300 0.046 0.000 1.111 254 M CA 1.031 56.367 55.300 0.059 0.000 1.070 254 M CB 0.838 33.467 32.600 0.048 0.000 1.525 254 M HN 0.516 nan 8.290 nan 0.000 0.517 255 G N 0.179 109.008 108.800 0.049 0.000 2.176 255 G HA2 -0.175 3.784 3.960 -0.000 0.000 0.232 255 G HA3 -0.175 3.784 3.960 -0.000 0.000 0.232 255 G C 0.139 175.067 174.900 0.047 0.000 0.986 255 G CA -0.055 45.072 45.100 0.043 0.000 0.643 255 G HN 0.667 nan 8.290 nan 0.000 0.522 256 A N -0.102 122.749 122.820 0.052 0.000 2.304 256 A HA 0.686 5.006 4.320 -0.000 0.000 0.271 256 A C 0.306 177.930 177.584 0.067 0.000 1.091 256 A CA -0.013 52.060 52.037 0.061 0.000 0.812 256 A CB 0.428 19.464 19.000 0.060 0.000 1.056 256 A HN 0.404 nan 8.150 nan 0.000 0.489 257 E N 0.906 121.154 120.200 0.080 0.000 1.986 257 E HA 0.385 4.735 4.350 -0.000 0.000 0.264 257 E C -1.051 175.618 176.600 0.115 0.000 1.023 257 E CA -0.257 56.195 56.400 0.087 0.000 0.834 257 E CB 0.947 30.697 29.700 0.083 0.000 1.111 257 E HN 0.385 nan 8.360 nan 0.000 0.417 258 V N 3.214 123.183 119.914 0.092 0.000 2.481 258 V HA 0.255 4.375 4.120 -0.000 0.000 0.286 258 V C 0.088 176.233 176.094 0.085 0.000 1.042 258 V CA -0.789 61.560 62.300 0.082 0.000 0.928 258 V CB 1.725 33.577 31.823 0.048 0.000 0.986 258 V HN 0.292 nan 8.190 nan 0.000 0.462 259 V N 3.558 123.511 119.914 0.066 0.000 2.350 259 V HA 0.651 4.771 4.120 -0.000 0.000 0.285 259 V C 0.596 176.669 176.094 -0.034 0.000 1.014 259 V CA -0.299 62.037 62.300 0.059 0.000 0.831 259 V CB 1.586 33.507 31.823 0.163 0.000 1.000 259 V HN 1.003 nan 8.190 nan 0.000 0.433 260 G N 3.918 112.718 108.800 0.000 0.000 2.335 260 G HA2 0.596 4.556 3.960 -0.000 0.000 0.316 260 G HA3 0.596 4.556 3.960 -0.000 0.000 0.316 260 G C -0.515 174.383 174.900 -0.004 0.000 1.129 260 G CA -0.450 44.638 45.100 -0.020 0.000 0.899 260 G HN 0.843 nan 8.290 nan 0.000 0.448 261 V N 0.241 120.128 119.914 -0.045 0.000 2.398 261 V HA 0.847 4.967 4.120 -0.000 0.000 0.286 261 V C -0.664 175.444 176.094 0.024 0.000 1.026 261 V CA -1.140 61.154 62.300 -0.009 0.000 0.868 261 V CB 1.447 33.235 31.823 -0.058 0.000 0.982 261 V HN 0.691 nan 8.190 nan 0.000 0.443 262 E N 2.507 122.766 120.200 0.099 0.000 2.290 262 E HA 0.358 4.708 4.350 -0.000 0.000 0.274 262 E C -0.218 176.519 176.600 0.228 0.000 0.889 262 E CA -0.323 56.161 56.400 0.141 0.000 0.760 262 E CB 2.270 32.045 29.700 0.125 0.000 1.206 262 E HN 0.776 nan 8.360 nan 0.000 0.419 263 D N 2.356 122.883 120.400 0.213 0.000 2.234 263 D HA -0.051 4.589 4.640 -0.000 0.000 0.205 263 D C -0.318 176.172 176.300 0.316 0.000 0.962 263 D CA 0.523 54.660 54.000 0.229 0.000 0.855 263 D CB 0.321 41.224 40.800 0.172 0.000 0.951 263 D HN 0.444 nan 8.370 nan 0.000 0.500 264 D N -0.256 120.271 120.400 0.211 0.000 2.295 264 D HA 0.025 4.664 4.640 -0.000 0.000 0.248 264 D C 1.089 177.399 176.300 0.016 0.000 1.154 264 D CA -0.392 53.687 54.000 0.130 0.000 0.857 264 D CB 0.905 41.746 40.800 0.069 0.000 1.117 264 D HN -0.056 nan 8.370 nan 0.000 0.468 265 L N 5.148 126.285 121.223 -0.143 0.000 2.012 265 L HA -0.081 4.259 4.340 -0.000 0.000 0.210 265 L C 2.023 178.820 176.870 -0.121 0.000 1.073 265 L CA 2.378 56.972 54.840 -0.411 0.000 0.748 265 L CB -0.875 40.953 42.059 -0.383 0.000 0.891 265 L HN 0.603 nan 8.230 nan 0.000 0.431 266 A N -1.609 121.216 122.820 0.009 0.000 1.908 266 A HA -0.223 4.097 4.320 -0.000 0.000 0.218 266 A C 2.396 180.056 177.584 0.127 0.000 1.181 266 A CA 2.168 54.276 52.037 0.118 0.000 0.627 266 A CB -0.987 18.174 19.000 0.268 0.000 0.818 266 A HN 0.547 nan 8.150 nan 0.000 0.445 267 S N -0.596 115.177 115.700 0.122 0.000 2.383 267 S HA -0.100 4.370 4.470 -0.000 0.000 0.227 267 S C 1.874 176.573 174.600 0.166 0.000 1.026 267 S CA 1.271 59.570 58.200 0.166 0.000 0.981 267 S CB -0.399 62.884 63.200 0.138 0.000 0.818 267 S HN 0.353 nan 8.310 nan 0.000 0.472 268 V N 2.376 122.346 119.914 0.094 0.000 2.295 268 V HA -0.154 3.966 4.120 -0.000 0.000 0.246 268 V C 2.163 178.342 176.094 0.141 0.000 1.049 268 V CA 1.521 63.875 62.300 0.089 0.000 1.024 268 V CB -0.732 31.084 31.823 -0.013 0.000 0.648 268 V HN 0.445 nan 8.190 nan 0.000 0.447 269 L N -0.266 121.048 121.223 0.151 0.000 2.131 269 L HA -0.135 4.205 4.340 -0.000 0.000 0.210 269 L C 2.595 179.721 176.870 0.426 0.000 1.092 269 L CA 1.481 56.478 54.840 0.262 0.000 0.759 269 L CB -0.702 41.531 42.059 0.289 0.000 0.903 269 L HN 0.322 nan 8.230 nan 0.000 0.435 270 S N 0.332 116.271 115.700 0.398 0.000 2.368 270 S HA -0.170 4.300 4.470 -0.000 0.000 0.225 270 S C 1.853 176.729 174.600 0.459 0.000 1.030 270 S CA 1.225 59.739 58.200 0.524 0.000 0.999 270 S CB -0.322 63.146 63.200 0.447 0.000 0.844 270 S HN 0.264 nan 8.310 nan 0.000 0.459 271 L N 2.055 123.488 121.223 0.350 0.000 2.017 271 L HA -0.117 4.223 4.340 -0.000 0.000 0.208 271 L C 2.207 179.211 176.870 0.224 0.000 1.073 271 L CA 1.764 56.779 54.840 0.291 0.000 0.745 271 L CB -0.941 41.244 42.059 0.210 0.000 0.894 271 L HN 0.275 nan 8.230 nan 0.000 0.432 272 Q N -0.406 119.510 119.800 0.193 0.000 2.061 272 Q HA -0.292 4.048 4.340 -0.000 0.000 0.204 272 Q C 2.279 178.331 176.000 0.086 0.000 0.984 272 Q CA 2.150 58.030 55.803 0.129 0.000 0.846 272 Q CB -0.316 28.494 28.738 0.120 0.000 0.902 272 Q HN 0.533 nan 8.270 nan 0.000 0.421 273 K N 0.268 120.730 120.400 0.104 0.000 2.155 273 K HA -0.092 4.228 4.320 -0.000 0.000 0.203 273 K C 2.050 178.602 176.600 -0.078 0.000 1.052 273 K CA 1.141 57.385 56.287 -0.071 0.000 0.948 273 K CB -0.224 32.132 32.500 -0.239 0.000 0.728 273 K HN 0.246 nan 8.250 nan 0.000 0.448 274 G N 1.329 110.199 108.800 0.117 0.000 2.418 274 G HA2 -0.212 3.748 3.960 -0.000 0.000 0.217 274 G HA3 -0.212 3.748 3.960 -0.000 0.000 0.217 274 G C 1.439 176.378 174.900 0.065 0.000 1.158 274 G CA 0.717 45.911 45.100 0.156 0.000 0.771 274 G HN 0.200 nan 8.290 nan 0.000 0.545 275 L N 0.126 121.396 121.223 0.078 0.000 2.017 275 L HA -0.066 4.274 4.340 -0.000 0.000 0.208 275 L C 2.858 179.729 176.870 0.002 0.000 1.073 275 L CA 1.458 56.329 54.840 0.052 0.000 0.745 275 L CB -0.374 41.724 42.059 0.066 0.000 0.894 275 L HN 0.229 nan 8.230 nan 0.000 0.432 276 E N 0.918 121.101 120.200 -0.030 0.000 2.051 276 E HA -0.256 4.094 4.350 -0.000 0.000 0.192 276 E C 2.136 178.675 176.600 -0.101 0.000 0.991 276 E CA 1.607 57.967 56.400 -0.067 0.000 0.799 276 E CB 0.026 29.669 29.700 -0.095 0.000 0.748 276 E HN 0.422 nan 8.360 nan 0.000 0.449 277 A N 1.114 123.839 122.820 -0.159 0.000 2.019 277 A HA -0.118 4.202 4.320 -0.000 0.000 0.219 277 A C 1.750 179.283 177.584 -0.084 0.000 1.164 277 A CA 1.277 53.206 52.037 -0.179 0.000 0.644 277 A CB -0.313 18.484 19.000 -0.338 0.000 0.805 277 A HN 0.271 nan 8.150 nan 0.000 0.449 278 N N -0.738 117.931 118.700 -0.052 0.000 2.235 278 N HA 0.294 5.034 4.740 -0.000 0.000 0.209 278 N C 0.518 176.015 175.510 -0.022 0.000 1.122 278 N CA 0.707 53.738 53.050 -0.032 0.000 0.845 278 N CB 0.445 38.934 38.487 0.003 0.000 1.004 278 N HN 0.531 nan 8.380 nan 0.000 0.499 279 A N 0.743 123.546 122.820 -0.027 0.000 2.822 279 A HA -0.200 4.120 4.320 -0.000 0.000 0.287 279 A C -0.088 177.498 177.584 0.002 0.000 1.479 279 A CA 0.772 52.798 52.037 -0.018 0.000 0.779 279 A CB -2.195 16.790 19.000 -0.025 0.000 1.022 279 A HN 0.328 nan 8.150 nan 0.000 0.532 280 L N -1.449 119.784 121.223 0.017 0.000 2.333 280 L HA 0.795 5.134 4.340 -0.000 0.000 0.269 280 L C 0.142 177.034 176.870 0.036 0.000 1.010 280 L CA -1.038 53.825 54.840 0.037 0.000 0.818 280 L CB 1.903 44.002 42.059 0.066 0.000 1.306 280 L HN 0.273 nan 8.230 nan 0.000 0.430 281 K N 1.507 121.932 120.400 0.041 0.000 2.397 281 K HA 0.870 5.189 4.320 -0.000 0.000 0.253 281 K C -1.467 175.164 176.600 0.051 0.000 0.932 281 K CA -0.223 56.089 56.287 0.041 0.000 0.795 281 K CB 2.027 34.547 32.500 0.033 0.000 1.159 281 K HN 0.707 nan 8.250 nan 0.000 0.424 282 A N 3.053 125.906 122.820 0.056 0.000 2.586 282 A HA 0.392 4.712 4.320 -0.000 0.000 0.291 282 A C -1.669 175.954 177.584 0.065 0.000 1.062 282 A CA -0.857 51.218 52.037 0.063 0.000 0.666 282 A CB 1.204 20.244 19.000 0.066 0.000 1.281 282 A HN 0.621 nan 8.150 nan 0.000 0.421 283 Q N 0.685 120.527 119.800 0.070 0.000 2.337 283 Q HA 0.499 4.839 4.340 -0.000 0.000 0.255 283 Q C -0.051 175.992 176.000 0.071 0.000 0.997 283 Q CA -0.118 55.728 55.803 0.071 0.000 0.925 283 Q CB 1.467 30.253 28.738 0.080 0.000 1.212 283 Q HN 0.865 nan 8.270 nan 0.000 0.436 284 A N 5.393 128.259 122.820 0.076 0.000 2.582 284 A HA 0.402 4.722 4.320 -0.000 0.000 0.336 284 A C -0.364 177.274 177.584 0.091 0.000 1.445 284 A CA -0.509 51.580 52.037 0.085 0.000 0.997 284 A CB -0.013 19.045 19.000 0.097 0.000 1.148 284 A HN 0.713 nan 8.150 nan 0.000 0.514 285 L N 2.534 123.811 121.223 0.091 0.000 2.289 285 L HA 0.297 4.637 4.340 -0.000 0.000 0.285 285 L C 0.608 177.574 176.870 0.159 0.000 1.049 285 L CA -0.482 54.423 54.840 0.109 0.000 0.804 285 L CB 1.214 43.325 42.059 0.086 0.000 1.195 285 L HN 0.744 nan 8.230 nan 0.000 0.428 286 H N 3.039 122.135 119.070 0.045 0.000 2.911 286 H HA 0.301 4.857 4.556 0.001 0.000 0.273 286 H C -0.733 174.627 175.328 0.054 0.000 1.157 286 H CA -0.155 55.919 56.048 0.043 0.000 1.402 286 H CB 0.843 30.615 29.762 0.017 0.000 1.463 286 H HN 0.589 nan 8.280 nan 0.000 0.475 287 S N 3.973 119.722 115.700 0.082 0.000 2.541 287 S HA 0.052 4.522 4.470 -0.000 0.000 0.271 287 S C -1.331 173.317 174.600 0.079 0.000 1.133 287 S CA -1.040 57.175 58.200 0.027 0.000 0.876 287 S CB 1.776 65.010 63.200 0.058 0.000 1.105 287 S HN 0.787 nan 8.310 nan 0.000 0.470 288 D N 3.593 124.059 120.400 0.111 0.000 2.453 288 D HA 0.479 5.118 4.640 -0.000 0.000 0.223 288 D C 1.190 177.684 176.300 0.323 0.000 1.183 288 D CA 0.456 54.589 54.000 0.223 0.000 0.933 288 D CB -0.618 40.321 40.800 0.231 0.000 1.038 288 D HN 0.551 nan 8.370 nan 0.000 0.513 289 V N 3.082 123.149 119.914 0.255 0.000 0.689 289 V HA -0.386 3.734 4.120 -0.000 0.000 0.092 289 V C 1.213 177.372 176.094 0.109 0.000 0.796 289 V CA 1.824 64.225 62.300 0.168 0.000 3.102 289 V CB -1.063 30.879 31.823 0.199 0.000 0.199 289 V HN 0.788 nan 8.190 nan 0.000 0.110 290 D N 0.351 120.852 120.400 0.168 0.000 2.427 290 D HA 0.073 4.713 4.640 -0.000 0.000 0.224 290 D C 1.395 177.713 176.300 0.031 0.000 1.157 290 D CA 0.578 54.627 54.000 0.081 0.000 0.828 290 D CB 0.410 41.251 40.800 0.068 0.000 0.974 290 D HN 0.839 nan 8.370 nan 0.000 0.498 291 E N 1.360 121.596 120.200 0.059 0.000 2.118 291 E HA -0.212 4.138 4.350 -0.000 0.000 0.195 291 E C 1.573 178.156 176.600 -0.029 0.000 0.992 291 E CA 1.200 57.564 56.400 -0.059 0.000 0.804 291 E CB 0.023 29.754 29.700 0.051 0.000 0.741 291 E HN 0.308 nan 8.360 nan 0.000 0.458 292 A N 1.033 123.863 122.820 0.016 0.000 2.168 292 A HA 0.094 4.414 4.320 -0.000 0.000 0.215 292 A C 1.413 179.014 177.584 0.028 0.000 1.152 292 A CA 0.114 52.165 52.037 0.024 0.000 0.716 292 A CB -0.208 18.817 19.000 0.042 0.000 0.794 292 A HN 0.178 nan 8.150 nan 0.000 0.465 293 L N 0.498 121.740 121.223 0.032 0.000 2.456 293 L HA 0.279 4.619 4.340 -0.000 0.000 0.257 293 L C 1.085 177.964 176.870 0.014 0.000 1.162 293 L CA -0.469 54.401 54.840 0.049 0.000 0.808 293 L CB 0.714 42.833 42.059 0.099 0.000 1.136 293 L HN 0.326 nan 8.230 nan 0.000 0.466 294 T N -3.176 111.384 114.554 0.011 0.000 2.828 294 T HA 0.058 4.407 4.350 -0.000 0.000 0.290 294 T C 0.829 175.519 174.700 -0.016 0.000 1.019 294 T CA -0.587 61.507 62.100 -0.010 0.000 1.031 294 T CB 1.360 70.217 68.868 -0.018 0.000 1.001 294 T HN 0.742 nan 8.240 nan 0.000 0.531 295 E N 0.458 120.644 120.200 -0.024 0.000 2.153 295 E HA -0.183 4.167 4.350 -0.000 0.000 0.194 295 E C 2.000 178.584 176.600 -0.026 0.000 0.988 295 E CA 1.268 57.653 56.400 -0.025 0.000 0.811 295 E CB 0.050 29.734 29.700 -0.026 0.000 0.746 295 E HN 0.837 nan 8.360 nan 0.000 0.466 296 E N 0.334 120.514 120.200 -0.035 0.000 2.385 296 E HA 0.037 4.387 4.350 -0.000 0.000 0.194 296 E C 0.366 176.920 176.600 -0.077 0.000 1.013 296 E CA 0.375 56.746 56.400 -0.048 0.000 0.866 296 E CB -0.093 29.579 29.700 -0.047 0.000 0.832 296 E HN 0.147 nan 8.360 nan 0.000 0.500 297 A N 2.266 125.035 122.820 -0.085 0.000 2.566 297 A HA 0.103 4.422 4.320 -0.000 0.000 0.245 297 A C 0.076 177.524 177.584 -0.226 0.000 1.056 297 A CA 0.263 52.193 52.037 -0.179 0.000 0.757 297 A CB 0.072 19.014 19.000 -0.097 0.000 0.979 297 A HN 0.106 nan 8.150 nan 0.000 0.508 298 R N 0.914 121.152 120.500 -0.436 0.000 2.808 298 R HA 0.715 5.054 4.340 -0.000 0.000 0.272 298 R C -1.557 174.361 176.300 -0.638 0.000 0.995 298 R CA -0.438 55.471 56.100 -0.318 0.000 0.917 298 R CB 1.509 31.724 30.300 -0.141 0.000 1.217 298 R HN 0.636 nan 8.270 nan 0.000 0.471 299 F N -0.593 119.368 119.950 0.018 0.000 2.620 299 F HA 0.347 4.874 4.527 -0.000 0.000 0.320 299 F C 1.210 177.038 175.800 0.048 0.000 1.069 299 F CA -0.721 57.299 58.000 0.033 0.000 0.953 299 F CB 1.648 40.671 39.000 0.037 0.000 1.322 299 F HN 0.367 nan 8.300 nan 0.000 0.479 300 D N 0.675 121.230 120.400 0.259 0.000 2.277 300 D HA 0.208 4.848 4.640 -0.000 0.000 0.209 300 D C 0.202 176.626 176.300 0.207 0.000 0.970 300 D CA 1.365 55.474 54.000 0.182 0.000 0.874 300 D CB 0.981 41.868 40.800 0.144 0.000 0.982 300 D HN 0.193 nan 8.370 nan 0.000 0.504 301 I N 0.915 121.629 120.570 0.240 0.000 2.656 301 I HA 0.345 4.515 4.170 -0.000 0.000 0.292 301 I C -0.913 175.322 176.117 0.196 0.000 1.144 301 I CA -0.634 60.810 61.300 0.240 0.000 1.038 301 I CB 3.054 41.196 38.000 0.236 0.000 1.244 301 I HN -0.322 nan 8.210 nan 0.000 0.420 302 I N 6.174 126.890 120.570 0.243 0.000 2.499 302 I HA 0.511 4.681 4.170 -0.000 0.000 0.288 302 I C -0.593 175.714 176.117 0.316 0.000 1.048 302 I CA -0.930 60.488 61.300 0.197 0.000 1.062 302 I CB 2.177 40.287 38.000 0.185 0.000 1.238 302 I HN 0.298 nan 8.210 nan 0.000 0.426 303 V N 1.870 121.871 119.914 0.145 0.000 2.960 303 V HA 0.932 5.052 4.120 -0.000 0.000 0.315 303 V C -0.531 175.578 176.094 0.025 0.000 1.087 303 V CA -0.384 61.962 62.300 0.077 0.000 0.982 303 V CB 2.025 33.852 31.823 0.007 0.000 1.039 303 V HN 0.833 nan 8.190 nan 0.000 0.437 304 T N 1.687 116.223 114.554 -0.031 0.000 3.128 304 T HA 0.358 4.708 4.350 -0.000 0.000 0.363 304 T C -1.880 172.798 174.700 -0.037 0.000 1.610 304 T CA -0.375 61.727 62.100 0.003 0.000 1.126 304 T CB 1.482 70.433 68.868 0.139 0.000 1.416 304 T HN 1.205 nan 8.240 nan 0.000 0.480 305 N N 4.310 123.000 118.700 -0.018 0.000 2.904 305 N HA 0.452 5.192 4.740 -0.000 0.000 0.257 305 N C -2.756 172.739 175.510 -0.025 0.000 1.363 305 N CA -1.588 51.421 53.050 -0.068 0.000 0.856 305 N CB 0.935 39.349 38.487 -0.121 0.000 1.166 305 N HN 0.367 nan 8.380 nan 0.000 0.499 306 P HA 0.109 nan 4.420 nan 0.000 0.267 306 P C -2.464 174.815 177.300 -0.035 0.000 1.201 306 P CA -0.546 62.573 63.100 0.031 0.000 0.775 306 P CB 0.015 31.756 31.700 0.068 0.000 0.854 307 P HA 0.156 nan 4.420 nan 0.000 0.272 307 P C -1.004 176.293 177.300 -0.005 0.000 1.223 307 P CA 0.315 63.279 63.100 -0.227 0.000 0.784 307 P CB 0.283 31.815 31.700 -0.279 0.000 0.923 308 F N -2.453 117.475 119.950 -0.038 0.000 2.668 308 F HA 0.438 4.965 4.527 -0.000 0.000 0.309 308 F C -0.974 174.898 175.800 0.119 0.000 1.117 308 F CA -1.272 56.757 58.000 0.049 0.000 0.951 308 F CB 1.106 40.158 39.000 0.087 0.000 1.323 308 F HN 0.364 nan 8.300 nan 0.000 0.451 309 H N 1.830 121.027 119.070 0.212 0.000 2.562 309 H HA 0.537 5.093 4.556 -0.001 0.000 0.314 309 H C -0.810 174.676 175.328 0.263 0.000 1.079 309 H CA -0.805 55.314 56.048 0.118 0.000 1.349 309 H CB 1.717 31.520 29.762 0.069 0.000 1.432 309 H HN 0.683 nan 8.280 nan 0.000 0.479 310 V N 5.321 125.206 119.914 -0.049 0.000 2.509 310 V HA -0.010 4.110 4.120 -0.000 0.000 0.297 310 V C 1.405 177.341 176.094 -0.264 0.000 1.014 310 V CA 1.567 63.855 62.300 -0.019 0.000 1.127 310 V CB 0.424 32.232 31.823 -0.025 0.000 0.925 310 V HN 1.191 nan 8.190 nan 0.000 0.480 311 G N 3.715 112.426 108.800 -0.147 0.000 2.159 311 G HA2 -0.154 3.805 3.960 -0.000 0.000 0.256 311 G HA3 -0.154 3.805 3.960 -0.000 0.000 0.256 311 G C 0.471 175.238 174.900 -0.221 0.000 0.977 311 G CA -0.067 44.890 45.100 -0.239 0.000 0.652 311 G HN 1.342 nan 8.290 nan 0.000 0.531 312 G N -1.345 107.387 108.800 -0.114 0.000 2.437 312 G HA2 0.739 4.699 3.960 -0.000 0.000 0.319 312 G HA3 0.739 4.699 3.960 -0.000 0.000 0.319 312 G C 0.512 175.434 174.900 0.037 0.000 1.158 312 G CA 0.169 45.281 45.100 0.020 0.000 0.899 312 G HN 1.395 nan 8.290 nan 0.000 0.502 313 A N 0.607 123.466 122.820 0.065 0.000 2.589 313 A HA 0.566 4.886 4.320 -0.000 0.000 0.283 313 A C -0.072 177.546 177.584 0.056 0.000 1.187 313 A CA -0.038 52.063 52.037 0.107 0.000 0.957 313 A CB 0.414 19.505 19.000 0.151 0.000 1.175 313 A HN 0.560 nan 8.150 nan 0.000 0.532 314 V N 1.460 121.401 119.914 0.046 0.000 2.448 314 V HA 0.346 4.466 4.120 -0.000 0.000 0.295 314 V C -0.129 175.954 176.094 -0.019 0.000 1.025 314 V CA -0.593 61.708 62.300 0.002 0.000 0.859 314 V CB 1.610 33.441 31.823 0.012 0.000 0.988 314 V HN 0.406 nan 8.190 nan 0.000 0.431 315 I N 5.331 125.840 120.570 -0.102 0.000 2.598 315 I HA 0.112 4.282 4.170 -0.000 0.000 0.284 315 I C 0.313 176.387 176.117 -0.071 0.000 1.140 315 I CA 0.084 61.299 61.300 -0.142 0.000 1.420 315 I CB 0.458 38.265 38.000 -0.323 0.000 1.387 315 I HN 0.418 nan 8.210 nan 0.000 0.553 316 L N 6.282 127.482 121.223 -0.038 0.000 2.483 316 L HA -0.001 4.339 4.340 -0.000 0.000 0.275 316 L C 1.432 178.262 176.870 -0.068 0.000 1.220 316 L CA -0.117 54.693 54.840 -0.050 0.000 0.833 316 L CB 0.247 42.270 42.059 -0.060 0.000 1.102 316 L HN 0.619 nan 8.230 nan 0.000 0.490 317 D N 1.285 121.661 120.400 -0.042 0.000 2.123 317 D HA -0.151 4.489 4.640 -0.000 0.000 0.196 317 D C 2.057 178.311 176.300 -0.077 0.000 0.992 317 D CA 1.135 55.129 54.000 -0.011 0.000 0.833 317 D CB 0.123 40.961 40.800 0.063 0.000 0.954 317 D HN 0.379 nan 8.370 nan 0.000 0.455 318 V N 1.656 121.501 119.914 -0.115 0.000 2.343 318 V HA -0.248 3.872 4.120 -0.000 0.000 0.247 318 V C 2.604 178.376 176.094 -0.538 0.000 1.051 318 V CA 1.802 63.906 62.300 -0.328 0.000 1.036 318 V CB -0.772 30.888 31.823 -0.272 0.000 0.654 318 V HN 0.181 nan 8.190 nan 0.000 0.451 319 A N -0.933 121.636 122.820 -0.418 0.000 1.902 319 A HA -0.284 4.036 4.320 -0.000 0.000 0.217 319 A C 2.188 179.753 177.584 -0.031 0.000 1.181 319 A CA 1.912 53.761 52.037 -0.312 0.000 0.623 319 A CB -0.476 18.497 19.000 -0.044 0.000 0.818 319 A HN 0.618 nan 8.150 nan 0.000 0.443 320 Q N -0.767 119.007 119.800 -0.043 0.000 2.124 320 Q HA -0.114 4.226 4.340 -0.000 0.000 0.202 320 Q C 2.429 178.419 176.000 -0.016 0.000 0.977 320 Q CA 1.305 57.113 55.803 0.008 0.000 0.850 320 Q CB -0.375 28.346 28.738 -0.029 0.000 0.901 320 Q HN 0.696 nan 8.270 nan 0.000 0.429 321 A N 0.523 123.256 122.820 -0.144 0.000 1.933 321 A HA -0.183 4.137 4.320 -0.000 0.000 0.218 321 A C 1.727 179.309 177.584 -0.004 0.000 1.175 321 A CA 1.072 52.970 52.037 -0.232 0.000 0.628 321 A CB -0.669 17.837 19.000 -0.823 0.000 0.814 321 A HN 0.270 nan 8.150 nan 0.000 0.444 322 F N 0.168 120.010 119.950 -0.179 0.000 2.091 322 F HA -0.182 4.345 4.527 -0.001 0.000 0.299 322 F C 2.574 178.331 175.800 -0.072 0.000 1.103 322 F CA 1.211 59.159 58.000 -0.087 0.000 1.228 322 F CB -1.071 37.928 39.000 -0.001 0.000 0.984 322 F HN 0.046 nan 8.300 nan 0.000 0.477 323 V N 0.280 120.315 119.914 0.202 0.000 2.295 323 V HA -0.295 3.825 4.120 -0.000 0.000 0.246 323 V C 2.260 178.295 176.094 -0.099 0.000 1.049 323 V CA 1.921 64.268 62.300 0.079 0.000 1.024 323 V CB -0.691 31.264 31.823 0.221 0.000 0.648 323 V HN 0.314 nan 8.190 nan 0.000 0.447 324 N N 0.308 118.967 118.700 -0.068 0.000 2.084 324 N HA -0.135 4.605 4.740 -0.000 0.000 0.190 324 N C 1.816 177.240 175.510 -0.145 0.000 1.030 324 N CA 1.513 54.491 53.050 -0.120 0.000 0.849 324 N CB -0.503 37.942 38.487 -0.070 0.000 1.012 324 N HN 0.363 nan 8.380 nan 0.000 0.423 325 V N 1.804 121.657 119.914 -0.101 0.000 2.343 325 V HA -0.181 3.939 4.120 -0.000 0.000 0.247 325 V C 2.481 178.486 176.094 -0.147 0.000 1.051 325 V CA 1.673 63.922 62.300 -0.084 0.000 1.036 325 V CB -0.958 30.835 31.823 -0.049 0.000 0.654 325 V HN 0.281 nan 8.190 nan 0.000 0.451 326 A N 0.206 122.874 122.820 -0.252 0.000 1.883 326 A HA -0.206 4.113 4.320 -0.000 0.000 0.217 326 A C 2.446 179.881 177.584 -0.248 0.000 1.186 326 A CA 2.407 54.226 52.037 -0.364 0.000 0.624 326 A CB -0.908 17.500 19.000 -0.987 0.000 0.822 326 A HN 0.587 nan 8.150 nan 0.000 0.444 327 A N -0.441 122.148 122.820 -0.385 0.000 1.902 327 A HA 0.164 4.484 4.320 -0.000 0.000 0.217 327 A C 2.466 179.878 177.584 -0.287 0.000 1.181 327 A CA 2.166 53.841 52.037 -0.604 0.000 0.623 327 A CB -0.918 17.439 19.000 -1.071 0.000 0.818 327 A HN 1.118 nan 8.150 nan 0.000 0.443 328 A N -1.214 121.485 122.820 -0.200 0.000 2.016 328 A HA -0.012 4.308 4.320 -0.000 0.000 0.217 328 A C 2.086 179.650 177.584 -0.033 0.000 1.162 328 A CA 0.922 52.897 52.037 -0.104 0.000 0.662 328 A CB -0.230 18.726 19.000 -0.075 0.000 0.812 328 A HN 0.335 nan 8.150 nan 0.000 0.450 329 R N -0.760 119.740 120.500 -0.001 0.000 2.276 329 R HA 0.282 4.621 4.340 -0.000 0.000 0.196 329 R C 0.003 176.394 176.300 0.152 0.000 0.961 329 R CA -0.007 56.155 56.100 0.104 0.000 1.024 329 R CB -0.510 29.903 30.300 0.189 0.000 0.940 329 R HN 0.419 nan 8.270 nan 0.000 0.480 330 L N 1.820 123.103 121.223 0.099 0.000 2.349 330 L HA 0.224 4.563 4.340 -0.000 0.000 0.275 330 L C 0.672 177.592 176.870 0.084 0.000 1.115 330 L CA -0.261 54.656 54.840 0.128 0.000 0.820 330 L CB 0.900 43.047 42.059 0.146 0.000 1.135 330 L HN -0.158 nan 8.230 nan 0.000 0.445 331 R N 3.405 123.954 120.500 0.082 0.000 2.539 331 R HA 0.244 4.584 4.340 -0.000 0.000 0.275 331 R C -2.266 174.068 176.300 0.056 0.000 1.077 331 R CA -1.646 54.484 56.100 0.049 0.000 1.097 331 R CB 0.402 30.725 30.300 0.038 0.000 1.018 331 R HN 0.313 nan 8.270 nan 0.000 0.483 332 P HA -0.071 nan 4.420 nan 0.000 0.262 332 P C 0.461 177.791 177.300 0.051 0.000 1.182 332 P CA 1.117 64.244 63.100 0.045 0.000 0.761 332 P CB 0.583 32.301 31.700 0.032 0.000 0.795 333 G N 1.887 110.721 108.800 0.057 0.000 2.217 333 G HA2 -0.171 3.789 3.960 -0.000 0.000 0.246 333 G HA3 -0.171 3.789 3.960 -0.000 0.000 0.246 333 G C 0.663 175.605 174.900 0.071 0.000 0.990 333 G CA -0.178 44.959 45.100 0.061 0.000 0.627 333 G HN 0.885 nan 8.290 nan 0.000 0.522 334 G N -0.513 108.331 108.800 0.074 0.000 2.636 334 G HA2 0.645 4.605 3.960 -0.000 0.000 0.246 334 G HA3 0.645 4.605 3.960 -0.000 0.000 0.246 334 G C 0.238 175.162 174.900 0.040 0.000 1.216 334 G CA 0.602 45.756 45.100 0.091 0.000 0.854 334 G HN 1.625 nan 8.290 nan 0.000 0.572 335 V N -1.592 118.354 119.914 0.053 0.000 2.769 335 V HA 0.816 4.936 4.120 -0.000 0.000 0.312 335 V C -1.112 174.919 176.094 -0.104 0.000 1.061 335 V CA -1.352 60.861 62.300 -0.145 0.000 0.931 335 V CB 1.795 33.629 31.823 0.019 0.000 1.010 335 V HN 0.604 nan 8.190 nan 0.000 0.433 336 F N 4.188 123.729 119.950 -0.682 0.000 2.482 336 F HA 0.857 5.383 4.527 -0.001 0.000 0.331 336 F C -1.388 174.040 175.800 -0.620 0.000 1.115 336 F CA -2.122 55.585 58.000 -0.489 0.000 0.955 336 F CB 1.685 40.352 39.000 -0.555 0.000 1.136 336 F HN 0.495 nan 8.300 nan 0.000 0.452 337 F N 7.117 126.713 119.950 -0.590 0.000 2.493 337 F HA 0.626 5.153 4.527 0.000 0.000 0.329 337 F C -0.901 174.398 175.800 -0.836 0.000 1.126 337 F CA -0.791 56.897 58.000 -0.518 0.000 0.937 337 F CB 1.856 40.750 39.000 -0.177 0.000 1.146 337 F HN 0.447 nan 8.300 nan 0.000 0.442 338 L N 4.667 125.533 121.223 -0.595 0.000 2.436 338 L HA 0.835 5.175 4.340 -0.000 0.000 0.268 338 L C -1.831 174.862 176.870 -0.294 0.000 0.974 338 L CA -0.780 53.739 54.840 -0.535 0.000 0.826 338 L CB 1.943 43.562 42.059 -0.734 0.000 1.291 338 L HN 0.472 nan 8.230 nan 0.000 0.406 339 V N 4.366 124.147 119.914 -0.222 0.000 2.628 339 V HA 0.921 5.041 4.120 -0.000 0.000 0.306 339 V C -0.549 175.467 176.094 -0.130 0.000 1.045 339 V CA 0.490 62.708 62.300 -0.137 0.000 0.905 339 V CB 2.162 33.917 31.823 -0.114 0.000 0.997 339 V HN 1.005 nan 8.190 nan 0.000 0.436 340 S N 3.805 119.492 115.700 -0.020 0.000 2.588 340 S HA 0.493 4.963 4.470 -0.000 0.000 0.269 340 S C -0.876 173.847 174.600 0.205 0.000 1.157 340 S CA -0.574 57.664 58.200 0.065 0.000 0.824 340 S CB 1.321 64.600 63.200 0.132 0.000 1.126 340 S HN 1.288 nan 8.310 nan 0.000 0.464 341 N N 0.451 119.235 118.700 0.139 0.000 2.415 341 N HA 0.354 5.094 4.740 -0.000 0.000 0.248 341 N C -2.204 173.342 175.510 0.059 0.000 1.271 341 N CA -1.123 51.962 53.050 0.059 0.000 0.913 341 N CB -0.322 38.109 38.487 -0.092 0.000 1.129 341 N HN 0.328 nan 8.380 nan 0.000 0.444 342 P HA -0.053 nan 4.420 nan 0.000 0.228 342 P C -0.045 177.129 177.300 -0.209 0.000 1.151 342 P CA 1.027 64.056 63.100 -0.119 0.000 0.770 342 P CB -0.048 31.514 31.700 -0.231 0.000 0.786 343 F N -1.519 118.404 119.950 -0.045 0.000 2.797 343 F HA 0.139 4.666 4.527 -0.000 0.000 0.302 343 F C 0.979 176.759 175.800 -0.034 0.000 1.130 343 F CA 0.121 58.100 58.000 -0.036 0.000 1.387 343 F CB -0.118 38.857 39.000 -0.041 0.000 1.107 343 F HN -0.206 nan 8.300 nan 0.000 0.577 344 L N 0.935 122.217 121.223 0.098 0.000 2.287 344 L HA 0.307 4.647 4.340 -0.000 0.000 0.287 344 L C 0.260 177.086 176.870 -0.073 0.000 1.022 344 L CA -0.682 54.150 54.840 -0.013 0.000 0.814 344 L CB 1.401 43.460 42.059 0.000 0.000 1.217 344 L HN -0.082 nan 8.230 nan 0.000 0.420 345 K N 3.842 124.150 120.400 -0.153 0.000 2.449 345 K HA 0.061 4.381 4.320 -0.000 0.000 0.237 345 K C 0.142 176.638 176.600 -0.174 0.000 1.265 345 K CA 0.087 56.298 56.287 -0.125 0.000 1.193 345 K CB -0.075 32.369 32.500 -0.093 0.000 1.515 345 K HN 0.508 nan 8.250 nan 0.000 0.259 346 Y N 0.627 120.876 120.300 -0.085 0.000 2.457 346 Y HA -0.157 4.392 4.550 -0.000 0.000 0.292 346 Y C 1.748 177.508 175.900 -0.234 0.000 1.125 346 Y CA 0.611 58.647 58.100 -0.105 0.000 1.254 346 Y CB 0.303 38.715 38.460 -0.081 0.000 1.012 346 Y HN 0.375 nan 8.280 nan 0.000 0.555 347 E N 0.691 120.756 120.200 -0.226 0.000 2.021 347 E HA -0.229 4.120 4.350 -0.000 0.000 0.200 347 E C -0.450 175.954 176.600 -0.326 0.000 1.015 347 E CA 1.988 57.996 56.400 -0.653 0.000 0.824 347 E CB -1.770 27.657 29.700 -0.456 0.000 0.762 347 E HN 0.321 nan 8.360 nan 0.000 0.454 348 P HA -0.152 nan 4.420 nan 0.000 0.221 348 P C 1.406 178.717 177.300 0.018 0.000 1.145 348 P CA 0.946 64.048 63.100 0.003 0.000 0.795 348 P CB 0.168 31.871 31.700 0.005 0.000 0.775 349 L N -0.466 120.761 121.223 0.006 0.000 2.044 349 L HA -0.028 4.312 4.340 -0.000 0.000 0.205 349 L C 2.576 179.517 176.870 0.118 0.000 1.075 349 L CA 1.496 56.370 54.840 0.056 0.000 0.747 349 L CB -1.396 40.713 42.059 0.082 0.000 0.903 349 L HN -0.185 nan 8.230 nan 0.000 0.435 350 L N -0.765 120.538 121.223 0.134 0.000 2.093 350 L HA -0.204 4.136 4.340 -0.000 0.000 0.208 350 L C 2.515 179.580 176.870 0.325 0.000 1.085 350 L CA 1.462 56.477 54.840 0.293 0.000 0.755 350 L CB -0.575 41.572 42.059 0.147 0.000 0.904 350 L HN 0.393 nan 8.230 nan 0.000 0.435 351 E N 0.184 120.528 120.200 0.241 0.000 2.085 351 E HA -0.291 4.059 4.350 -0.000 0.000 0.194 351 E C 2.121 178.825 176.600 0.173 0.000 0.994 351 E CA 1.485 58.052 56.400 0.279 0.000 0.801 351 E CB 0.094 29.954 29.700 0.267 0.000 0.743 351 E HN 0.419 nan 8.360 nan 0.000 0.453 352 E N 0.044 120.312 120.200 0.112 0.000 2.047 352 E HA -0.198 4.152 4.350 -0.000 0.000 0.191 352 E C 1.782 178.386 176.600 0.007 0.000 0.987 352 E CA 0.956 57.388 56.400 0.052 0.000 0.799 352 E CB 0.200 29.917 29.700 0.028 0.000 0.752 352 E HN -0.001 nan 8.360 nan 0.000 0.449 353 K N -0.422 119.964 120.400 -0.023 0.000 2.167 353 K HA -0.048 4.272 4.320 -0.000 0.000 0.203 353 K C 1.728 178.092 176.600 -0.392 0.000 1.052 353 K CA 0.879 57.028 56.287 -0.230 0.000 0.956 353 K CB -0.067 32.229 32.500 -0.339 0.000 0.735 353 K HN 0.218 nan 8.250 nan 0.000 0.451 354 F N -0.850 119.107 119.950 0.012 0.000 2.694 354 F HA 0.214 4.740 4.527 -0.001 0.000 0.292 354 F C 1.552 177.367 175.800 0.025 0.000 1.121 354 F CA 0.553 58.556 58.000 0.006 0.000 1.352 354 F CB 0.627 39.634 39.000 0.012 0.000 1.107 354 F HN 0.207 nan 8.300 nan 0.000 0.597 355 G N 0.484 109.408 108.800 0.207 0.000 2.234 355 G HA2 0.077 4.037 3.960 -0.000 0.000 0.235 355 G HA3 0.077 4.037 3.960 -0.000 0.000 0.235 355 G C 0.163 175.157 174.900 0.157 0.000 0.997 355 G CA -0.085 45.100 45.100 0.141 0.000 0.623 355 G HN 0.911 nan 8.290 nan 0.000 0.514 356 A N -1.208 121.742 122.820 0.216 0.000 2.567 356 A HA 0.956 5.276 4.320 -0.000 0.000 0.291 356 A C -0.872 176.851 177.584 0.231 0.000 1.048 356 A CA 0.159 52.297 52.037 0.168 0.000 0.661 356 A CB 0.665 19.697 19.000 0.052 0.000 1.288 356 A HN 1.982 nan 8.150 nan 0.000 0.424 357 F N -1.456 118.516 119.950 0.036 0.000 2.779 357 F HA 0.851 5.378 4.527 -0.000 0.000 0.316 357 F C -1.058 174.774 175.800 0.052 0.000 1.164 357 F CA -0.732 57.269 58.000 0.002 0.000 0.924 357 F CB 1.123 40.129 39.000 0.010 0.000 1.348 357 F HN 0.643 nan 8.300 nan 0.000 0.467 358 Q N 0.332 120.233 119.800 0.168 0.000 2.389 358 Q HA 0.516 4.855 4.340 -0.000 0.000 0.277 358 Q C -1.638 174.525 176.000 0.271 0.000 1.082 358 Q CA -1.202 54.645 55.803 0.073 0.000 0.810 358 Q CB 2.828 31.642 28.738 0.127 0.000 1.374 358 Q HN 0.748 nan 8.270 nan 0.000 0.422 359 T N 2.590 117.246 114.554 0.171 0.000 2.753 359 T HA 0.309 4.659 4.350 -0.000 0.000 0.297 359 T C 1.015 175.765 174.700 0.083 0.000 0.981 359 T CA -0.217 61.989 62.100 0.176 0.000 0.956 359 T CB 0.355 69.327 68.868 0.174 0.000 0.936 359 T HN 0.413 nan 8.240 nan 0.000 0.463 360 L N 1.637 122.906 121.223 0.078 0.000 2.209 360 L HA 0.268 4.608 4.340 -0.000 0.000 0.207 360 L C 1.038 177.929 176.870 0.036 0.000 1.094 360 L CA 0.744 55.604 54.840 0.034 0.000 0.790 360 L CB -0.016 42.074 42.059 0.051 0.000 0.932 360 L HN 0.319 nan 8.230 nan 0.000 0.447 361 K N 0.704 121.135 120.400 0.052 0.000 2.523 361 K HA 0.488 4.808 4.320 -0.000 0.000 0.257 361 K C -1.285 175.345 176.600 0.050 0.000 0.932 361 K CA -0.378 55.936 56.287 0.045 0.000 0.812 361 K CB 3.339 35.868 32.500 0.048 0.000 1.326 361 K HN -0.213 nan 8.250 nan 0.000 0.433 362 V N -0.956 118.981 119.914 0.037 0.000 2.398 362 V HA 0.878 4.998 4.120 -0.000 0.000 0.282 362 V C -0.333 175.772 176.094 0.020 0.000 1.014 362 V CA -0.463 61.854 62.300 0.028 0.000 0.838 362 V CB 0.836 32.670 31.823 0.018 0.000 1.018 362 V HN 0.942 nan 8.190 nan 0.000 0.432 363 A N 3.507 126.342 122.820 0.025 0.000 4.106 363 A HA 0.650 4.970 4.320 -0.000 0.000 0.175 363 A C 1.047 178.616 177.584 -0.024 0.000 0.668 363 A CA 0.382 52.428 52.037 0.015 0.000 0.819 363 A CB 0.284 19.312 19.000 0.047 0.000 1.738 363 A HN 0.702 nan 8.150 nan 0.000 0.848 364 E N -1.675 118.506 120.200 -0.031 0.000 2.265 364 E HA -0.067 4.283 4.350 -0.000 0.000 0.196 364 E C -0.623 175.709 176.600 -0.446 0.000 0.996 364 E CA 1.124 57.404 56.400 -0.200 0.000 0.832 364 E CB -0.084 29.525 29.700 -0.150 0.000 0.756 364 E HN 0.463 nan 8.360 nan 0.000 0.491 365 Y N -0.702 119.595 120.300 -0.006 0.000 2.638 365 Y HA 0.313 4.862 4.550 -0.000 0.000 0.339 365 Y C -0.752 175.139 175.900 -0.014 0.000 1.084 365 Y CA -1.233 56.857 58.100 -0.017 0.000 1.068 365 Y CB 1.538 39.986 38.460 -0.020 0.000 1.294 365 Y HN -0.262 nan 8.280 nan 0.000 0.480 366 K N 0.287 120.782 120.400 0.158 0.000 2.345 366 K HA 0.796 5.116 4.320 -0.000 0.000 0.255 366 K C -1.882 174.754 176.600 0.061 0.000 0.934 366 K CA -0.837 55.501 56.287 0.085 0.000 0.801 366 K CB 2.065 34.598 32.500 0.055 0.000 1.137 366 K HN 0.352 nan 8.250 nan 0.000 0.424 367 V N 5.031 124.978 119.914 0.055 0.000 2.350 367 V HA 0.292 4.412 4.120 -0.000 0.000 0.276 367 V C -0.160 175.965 176.094 0.051 0.000 1.028 367 V CA -0.756 61.568 62.300 0.038 0.000 0.860 367 V CB 0.735 32.600 31.823 0.070 0.000 0.990 367 V HN 0.666 nan 8.190 nan 0.000 0.453 368 L N 4.971 126.185 121.223 -0.015 0.000 2.344 368 L HA 0.673 5.013 4.340 -0.000 0.000 0.272 368 L C -0.653 176.197 176.870 -0.034 0.000 1.035 368 L CA -0.455 54.393 54.840 0.014 0.000 0.807 368 L CB 1.681 43.694 42.059 -0.077 0.000 1.237 368 L HN 0.593 nan 8.230 nan 0.000 0.442 369 F N 1.378 121.232 119.950 -0.160 0.000 2.599 369 F HA 0.817 5.344 4.527 -0.001 0.000 0.311 369 F C -0.955 174.684 175.800 -0.268 0.000 1.076 369 F CA -0.471 57.308 58.000 -0.368 0.000 0.937 369 F CB 1.920 40.709 39.000 -0.352 0.000 1.282 369 F HN 0.493 nan 8.300 nan 0.000 0.460 370 A N 3.844 125.836 122.820 -1.380 0.000 2.589 370 A HA 0.577 4.897 4.320 -0.000 0.000 0.296 370 A C -1.820 175.006 177.584 -1.263 0.000 1.062 370 A CA -0.667 50.712 52.037 -1.096 0.000 0.686 370 A CB 1.671 19.993 19.000 -1.131 0.000 1.282 370 A HN 0.808 nan 8.150 nan 0.000 0.404 371 E N 0.811 120.601 120.200 -0.683 0.000 2.187 371 E HA 0.475 4.825 4.350 -0.000 0.000 0.268 371 E C -0.776 175.801 176.600 -0.038 0.000 0.896 371 E CA -0.832 55.360 56.400 -0.347 0.000 0.766 371 E CB 1.282 30.904 29.700 -0.131 0.000 1.142 371 E HN 0.492 nan 8.360 nan 0.000 0.408 372 K N 3.405 123.847 120.400 0.071 0.000 2.339 372 K HA 0.154 4.474 4.320 -0.000 0.000 0.286 372 K C -0.725 175.938 176.600 0.105 0.000 1.050 372 K CA 0.081 56.485 56.287 0.194 0.000 0.956 372 K CB 0.546 33.148 32.500 0.170 0.000 0.990 372 K HN 0.370 nan 8.250 nan 0.000 0.475 373 R N 2.778 123.337 120.500 0.098 0.000 2.532 373 R HA 0.442 4.782 4.340 -0.000 0.000 0.295 373 R C 0.308 176.630 176.300 0.036 0.000 0.968 373 R CA -0.819 55.316 56.100 0.059 0.000 0.916 373 R CB 1.754 32.087 30.300 0.056 0.000 1.124 373 R HN 0.846 nan 8.270 nan 0.000 0.463 374 G N 0.000 108.816 108.800 0.027 0.000 5.446 374 G HA2 0.000 3.960 3.960 -0.000 0.000 0.244 374 G HA3 0.000 3.960 3.960 -0.000 0.000 0.244 374 G CA 0.000 45.109 45.100 0.015 0.000 0.502 374 G HN 0.000 nan 8.290 nan 0.000 0.925