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 2xpy_1_A DATA FIRST_RESID 40 DATA SEQUENCE MLPLSIEQRR PSRSPEYDQS TLSNYKDFAV LHTDLNLSVS FEKSAISGSV DATA SEQUENCE TFQLKKLHEG KNKSDELHLD TSYLDVQEVH IDGSKADFQI EQRKEPLGSR DATA SEQUENCE LVINNASCND NFTLNIQFRT TDKCTALQWL NSKQTKGGKP YVFSQLEAIH DATA SEQUENCE ARSLFPCFDT PSVKSTFTAS IESPLPVVFS GIRIEXXXXD TNIYRFEQKV DATA SEQUENCE PIPAYLIGIA SGDLSSAPIG PRSTVYTEPF RLKDCQWEFE NDVEKFIQTA DATA SEQUENCE EKIIFEYEWG TYDILVNVDS YPYGGMESPN MTFATPTLIA HDRSNIDVIA DATA SEQUENCE HELAHSWSGN LVTNCSWNHF WLNEGWTVYL ERRIIGAIHG EPTRHFSALI DATA SEQUENCE GWSDLQNSID SMKDPERFST LVQNLNDNTD PDDAFSTVPY EKGFNLLFHL DATA SEQUENCE ETILGGKAEF DPFIRHYFKK FAKKSLDTFQ FLDTLYEFYP EKKEILDSVD DATA SEQUENCE WETWLYKPGM PPRPHFITAL ADNVYQLADK WVEMAQHLKT TEDFRSEFNA DATA SEQUENCE IDIKDFNSNQ LVLFLETLTQ NGHSNKKPKD FDWAKFPVAS RALLDIYQDN DATA SEQUENCE IVKSQNAEVV FKMFKFQIFA KLQEEYKHLA DWLGTVGRMK FVRPGYRLLN DATA SEQUENCE SVDRRLALAT FDKFKDTYHP ICKALVKQDL GL 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 40 M HA 0.000 nan 4.480 nan 0.000 0.227 40 M C 0.000 176.171 176.300 -0.214 0.000 1.140 40 M CA 0.000 55.285 55.300 -0.025 0.000 0.988 40 M CB 0.000 32.667 32.600 0.111 0.000 1.302 41 L N 2.632 123.661 121.223 -0.324 0.000 2.436 41 L HA 0.346 4.687 4.340 0.003 0.000 0.265 41 L C -1.866 174.862 176.870 -0.237 0.000 1.168 41 L CA -1.506 53.031 54.840 -0.506 0.000 0.815 41 L CB 0.088 41.932 42.059 -0.357 0.000 1.109 41 L HN -0.186 nan 8.230 nan 0.000 0.462 42 P HA -0.031 nan 4.420 nan 0.000 0.269 42 P C 0.457 177.774 177.300 0.028 0.000 1.209 42 P CA -0.328 62.778 63.100 0.010 0.000 0.776 42 P CB 0.635 32.420 31.700 0.141 0.000 0.876 43 L N 2.946 124.203 121.223 0.057 0.000 2.083 43 L HA -0.204 4.138 4.340 0.003 0.000 0.209 43 L C 2.050 178.968 176.870 0.081 0.000 1.083 43 L CA 2.279 57.151 54.840 0.054 0.000 0.752 43 L CB -1.233 40.855 42.059 0.050 0.000 0.899 43 L HN 0.432 nan 8.230 nan 0.000 0.433 44 S N 0.023 115.795 115.700 0.120 0.000 2.423 44 S HA -0.235 4.237 4.470 0.003 0.000 0.238 44 S C 1.765 176.476 174.600 0.186 0.000 1.028 44 S CA 1.733 60.026 58.200 0.154 0.000 1.000 44 S CB -0.981 62.347 63.200 0.214 0.000 0.797 44 S HN 0.750 nan 8.310 nan 0.000 0.487 45 I N -2.476 118.212 120.570 0.197 0.000 4.403 45 I HA 0.461 4.632 4.170 0.003 0.000 0.331 45 I C 1.864 178.145 176.117 0.274 0.000 1.327 45 I CA 0.272 61.755 61.300 0.305 0.000 1.175 45 I CB 0.101 38.297 38.000 0.325 0.000 1.165 45 I HN 0.058 nan 8.210 nan 0.000 0.413 46 E N 2.634 122.904 120.200 0.116 0.000 2.107 46 E HA -0.246 4.105 4.350 0.003 0.000 0.191 46 E C 2.251 178.850 176.600 -0.001 0.000 0.982 46 E CA 2.125 58.546 56.400 0.035 0.000 0.809 46 E CB -0.202 29.498 29.700 0.001 0.000 0.756 46 E HN 0.772 nan 8.360 nan 0.000 0.459 47 Q N -0.126 119.689 119.800 0.024 0.000 2.170 47 Q HA -0.137 4.205 4.340 0.003 0.000 0.203 47 Q C 1.776 177.766 176.000 -0.017 0.000 0.976 47 Q CA 1.027 56.829 55.803 -0.002 0.000 0.858 47 Q CB -0.272 28.470 28.738 0.007 0.000 0.907 47 Q HN 0.141 nan 8.270 nan 0.000 0.433 48 R N 1.089 121.610 120.500 0.035 0.000 2.236 48 R HA 0.069 4.410 4.340 0.003 0.000 0.208 48 R C 0.895 177.134 176.300 -0.103 0.000 1.036 48 R CA 0.125 56.266 56.100 0.069 0.000 1.001 48 R CB -0.332 30.121 30.300 0.255 0.000 0.896 48 R HN 0.267 nan 8.270 nan 0.000 0.464 49 R N 3.242 123.510 120.500 -0.387 0.000 2.449 49 R HA 0.078 4.420 4.340 0.003 0.000 0.296 49 R C -2.026 173.979 176.300 -0.491 0.000 1.047 49 R CA -1.110 54.415 56.100 -0.959 0.000 1.018 49 R CB 0.432 30.318 30.300 -0.690 0.000 0.962 49 R HN -0.107 nan 8.270 nan 0.000 0.428 50 P HA -0.012 nan 4.420 nan 0.000 0.272 50 P C -0.034 177.190 177.300 -0.127 0.000 1.240 50 P CA -0.324 62.677 63.100 -0.165 0.000 0.791 50 P CB 1.246 32.916 31.700 -0.051 0.000 0.978 51 S N 0.388 116.051 115.700 -0.062 0.000 2.368 51 S HA -0.046 4.425 4.470 0.003 0.000 0.224 51 S C 0.874 175.455 174.600 -0.032 0.000 1.029 51 S CA 0.865 59.036 58.200 -0.048 0.000 0.988 51 S CB -0.126 63.054 63.200 -0.033 0.000 0.838 51 S HN 0.342 nan 8.310 nan 0.000 0.462 52 R N 0.896 121.393 120.500 -0.006 0.000 2.711 52 R HA 0.599 4.940 4.340 0.003 0.000 0.284 52 R C -1.059 175.261 176.300 0.032 0.000 0.968 52 R CA -0.308 55.800 56.100 0.013 0.000 0.924 52 R CB 1.696 32.014 30.300 0.030 0.000 1.162 52 R HN 0.091 nan 8.270 nan 0.000 0.465 53 S N 2.024 117.746 115.700 0.037 0.000 2.532 53 S HA 0.544 5.016 4.470 0.003 0.000 0.301 53 S C -2.423 172.211 174.600 0.058 0.000 1.083 53 S CA -1.315 56.919 58.200 0.058 0.000 1.025 53 S CB 1.936 65.179 63.200 0.073 0.000 1.056 53 S HN 0.307 nan 8.310 nan 0.000 0.494 54 P HA 0.125 nan 4.420 nan 0.000 0.268 54 P C -0.186 177.162 177.300 0.079 0.000 1.204 54 P CA -0.240 62.880 63.100 0.034 0.000 0.768 54 P CB 0.284 31.989 31.700 0.008 0.000 0.842 55 E N 2.205 122.457 120.200 0.087 0.000 2.534 55 E HA -0.133 4.219 4.350 0.003 0.000 0.264 55 E C -0.577 176.155 176.600 0.220 0.000 0.981 55 E CA -0.031 56.477 56.400 0.180 0.000 0.948 55 E CB 0.204 30.061 29.700 0.262 0.000 0.934 55 E HN 0.358 nan 8.360 nan 0.000 0.459 56 Y N 2.989 123.382 120.300 0.155 0.000 2.597 56 Y HA -0.069 4.483 4.550 0.003 0.000 0.336 56 Y C 0.212 176.246 175.900 0.223 0.000 1.216 56 Y CA 0.373 58.594 58.100 0.203 0.000 1.463 56 Y CB 0.695 39.235 38.460 0.133 0.000 1.303 56 Y HN 0.425 nan 8.280 nan 0.000 0.576 57 D N 4.916 125.262 120.400 -0.089 0.000 2.428 57 D HA 0.074 4.716 4.640 0.003 0.000 0.221 57 D C 0.304 176.710 176.300 0.178 0.000 1.123 57 D CA -0.227 53.774 54.000 0.001 0.000 0.869 57 D CB 0.952 41.619 40.800 -0.221 0.000 1.032 57 D HN 0.593 nan 8.370 nan 0.000 0.506 58 Q N 1.627 121.608 119.800 0.301 0.000 2.291 58 Q HA -0.060 4.282 4.340 0.003 0.000 0.206 58 Q C 1.247 177.381 176.000 0.224 0.000 0.976 58 Q CA 0.659 56.649 55.803 0.311 0.000 0.875 58 Q CB -0.102 28.778 28.738 0.237 0.000 0.927 58 Q HN 0.362 nan 8.270 nan 0.000 0.450 59 S N 0.244 116.058 115.700 0.190 0.000 2.660 59 S HA 0.018 4.489 4.470 0.003 0.000 0.223 59 S C 0.747 175.419 174.600 0.120 0.000 0.963 59 S CA 0.154 58.449 58.200 0.159 0.000 0.932 59 S CB 0.068 63.411 63.200 0.239 0.000 0.775 59 S HN 0.253 nan 8.310 nan 0.000 0.531 60 T N 0.626 115.262 114.554 0.137 0.000 2.863 60 T HA 0.556 4.908 4.350 0.003 0.000 0.285 60 T C 0.534 175.346 174.700 0.186 0.000 1.009 60 T CA -0.689 61.486 62.100 0.125 0.000 0.989 60 T CB 0.842 69.769 68.868 0.098 0.000 1.004 60 T HN 0.067 nan 8.240 nan 0.000 0.455 61 L N 2.992 124.295 121.223 0.133 0.000 2.567 61 L HA 0.246 4.588 4.340 0.003 0.000 0.225 61 L C 1.436 178.428 176.870 0.203 0.000 1.119 61 L CA -0.213 54.708 54.840 0.135 0.000 0.871 61 L CB -0.042 42.040 42.059 0.039 0.000 1.036 61 L HN 0.641 nan 8.230 nan 0.000 0.459 62 S N 0.515 116.363 115.700 0.247 0.000 2.601 62 S HA 0.112 4.584 4.470 0.003 0.000 0.271 62 S C 0.518 175.413 174.600 0.491 0.000 1.305 62 S CA -0.763 57.641 58.200 0.340 0.000 1.022 62 S CB 0.732 64.115 63.200 0.304 0.000 0.940 62 S HN 0.371 nan 8.310 nan 0.000 0.525 63 N N 1.694 120.700 118.700 0.510 0.000 3.331 63 N HA 0.035 4.777 4.740 0.003 0.000 0.303 63 N C 0.492 176.203 175.510 0.335 0.000 1.326 63 N CA -0.718 52.542 53.050 0.351 0.000 1.207 63 N CB -0.857 37.728 38.487 0.165 0.000 1.477 63 N HN 0.903 nan 8.380 nan 0.000 0.541 64 Y N 0.157 120.622 120.300 0.276 0.000 2.274 64 Y HA 0.063 4.614 4.550 0.003 0.000 0.290 64 Y C 1.582 177.435 175.900 -0.079 0.000 1.145 64 Y CA 0.608 58.711 58.100 0.004 0.000 1.203 64 Y CB -0.191 38.250 38.460 -0.031 0.000 0.984 64 Y HN -0.069 nan 8.280 nan 0.000 0.533 65 K N 0.688 120.678 120.400 -0.682 0.000 2.281 65 K HA -0.142 4.180 4.320 0.003 0.000 0.203 65 K C 0.601 177.028 176.600 -0.288 0.000 1.046 65 K CA 1.345 57.360 56.287 -0.453 0.000 0.938 65 K CB -0.435 31.838 32.500 -0.378 0.000 0.737 65 K HN 0.543 nan 8.250 nan 0.000 0.458 66 D N -0.942 119.251 120.400 -0.345 0.000 2.328 66 D HA 0.096 4.738 4.640 0.003 0.000 0.221 66 D C -0.293 175.477 176.300 -0.884 0.000 1.072 66 D CA 0.227 53.869 54.000 -0.596 0.000 0.850 66 D CB 0.074 40.427 40.800 -0.745 0.000 0.922 66 D HN -0.012 nan 8.370 nan 0.000 0.516 67 F N 0.101 119.925 119.950 -0.209 0.000 2.613 67 F HA 0.613 5.141 4.527 0.003 0.000 0.314 67 F C -0.300 175.370 175.800 -0.216 0.000 1.075 67 F CA -1.613 56.256 58.000 -0.219 0.000 0.945 67 F CB 1.442 40.244 39.000 -0.329 0.000 1.310 67 F HN -0.317 nan 8.300 nan 0.000 0.467 68 A N 1.208 124.058 122.820 0.050 0.000 2.303 68 A HA 0.714 5.035 4.320 0.003 0.000 0.320 68 A C -1.255 176.312 177.584 -0.029 0.000 1.192 68 A CA -0.677 51.355 52.037 -0.008 0.000 0.821 68 A CB 0.829 19.830 19.000 0.001 0.000 1.188 68 A HN 0.529 nan 8.150 nan 0.000 0.492 69 V N 5.316 125.193 119.914 -0.060 0.000 2.356 69 V HA 0.064 4.185 4.120 0.003 0.000 0.258 69 V C 1.195 177.293 176.094 0.007 0.000 1.065 69 V CA 0.114 62.393 62.300 -0.035 0.000 0.935 69 V CB 0.140 31.955 31.823 -0.014 0.000 1.061 69 V HN 0.908 nan 8.190 nan 0.000 0.484 70 L N 3.219 124.451 121.223 0.015 0.000 2.179 70 L HA 0.160 4.502 4.340 0.003 0.000 0.208 70 L C 0.855 177.787 176.870 0.103 0.000 1.096 70 L CA 1.022 55.886 54.840 0.041 0.000 0.779 70 L CB -0.200 41.875 42.059 0.027 0.000 0.922 70 L HN 0.767 nan 8.230 nan 0.000 0.443 71 H N -1.681 117.361 119.070 -0.046 0.000 3.094 71 H HA 0.302 4.860 4.556 0.002 0.000 0.335 71 H C -1.426 173.803 175.328 -0.166 0.000 1.254 71 H CA -0.599 55.388 56.048 -0.102 0.000 1.240 71 H CB 1.519 31.230 29.762 -0.085 0.000 1.936 71 H HN -0.239 nan 8.280 nan 0.000 0.536 72 T N 3.567 117.477 114.554 -1.072 0.000 2.824 72 T HA 0.285 4.637 4.350 0.003 0.000 0.282 72 T C -1.221 172.899 174.700 -0.967 0.000 0.993 72 T CA -0.656 60.855 62.100 -0.981 0.000 0.967 72 T CB 1.146 69.246 68.868 -1.279 0.000 0.960 72 T HN 0.570 nan 8.240 nan 0.000 0.441 73 D N 2.588 122.681 120.400 -0.511 0.000 2.391 73 D HA 0.507 5.148 4.640 0.003 0.000 0.245 73 D C -0.841 175.322 176.300 -0.227 0.000 1.069 73 D CA -0.527 53.333 54.000 -0.233 0.000 0.831 73 D CB 0.850 41.617 40.800 -0.056 0.000 1.204 73 D HN 0.302 nan 8.370 nan 0.000 0.503 74 L N 3.759 124.898 121.223 -0.140 0.000 2.287 74 L HA 0.449 4.790 4.340 0.003 0.000 0.287 74 L C -0.348 176.464 176.870 -0.097 0.000 1.022 74 L CA -0.741 54.019 54.840 -0.135 0.000 0.814 74 L CB 1.340 43.316 42.059 -0.139 0.000 1.217 74 L HN 0.408 nan 8.230 nan 0.000 0.420 75 N N 4.016 122.667 118.700 -0.081 0.000 2.511 75 N HA 0.598 5.340 4.740 0.003 0.000 0.249 75 N C -1.327 174.129 175.510 -0.090 0.000 0.971 75 N CA -0.245 52.759 53.050 -0.077 0.000 0.938 75 N CB 0.879 39.321 38.487 -0.075 0.000 1.131 75 N HN 0.390 nan 8.380 nan 0.000 0.505 76 L N 0.542 121.731 121.223 -0.057 0.000 2.341 76 L HA 0.662 5.004 4.340 0.003 0.000 0.267 76 L C -0.221 176.635 176.870 -0.022 0.000 1.009 76 L CA -0.908 53.904 54.840 -0.048 0.000 0.819 76 L CB 2.088 44.149 42.059 0.003 0.000 1.323 76 L HN 0.304 nan 8.230 nan 0.000 0.425 77 S N 0.654 116.338 115.700 -0.027 0.000 2.594 77 S HA 0.626 5.098 4.470 0.003 0.000 0.296 77 S C -0.846 173.757 174.600 0.005 0.000 1.124 77 S CA -0.488 57.711 58.200 -0.002 0.000 1.011 77 S CB 1.581 64.773 63.200 -0.014 0.000 1.016 77 S HN 0.263 nan 8.310 nan 0.000 0.485 78 V N 3.921 123.837 119.914 0.003 0.000 2.465 78 V HA 0.577 4.698 4.120 0.003 0.000 0.279 78 V C 0.392 176.432 176.094 -0.090 0.000 1.045 78 V CA -0.519 61.754 62.300 -0.045 0.000 0.938 78 V CB 1.452 33.173 31.823 -0.170 0.000 0.986 78 V HN 0.808 nan 8.190 nan 0.000 0.467 79 S N 3.441 119.080 115.700 -0.102 0.000 2.667 79 S HA 0.500 4.972 4.470 0.003 0.000 0.304 79 S C 0.484 174.917 174.600 -0.278 0.000 1.135 79 S CA -0.593 57.533 58.200 -0.123 0.000 1.125 79 S CB 0.227 63.378 63.200 -0.083 0.000 0.996 79 S HN 0.466 nan 8.310 nan 0.000 0.474 80 F N 2.222 122.174 119.950 0.003 0.000 2.234 80 F HA 0.051 4.579 4.527 0.003 0.000 0.299 80 F C 2.413 178.103 175.800 -0.184 0.000 1.087 80 F CA 0.788 58.739 58.000 -0.081 0.000 1.340 80 F CB -0.189 38.866 39.000 0.092 0.000 1.031 80 F HN 0.578 nan 8.300 nan 0.000 0.500 81 E N 1.233 121.482 120.200 0.081 0.000 2.048 81 E HA -0.263 4.089 4.350 0.003 0.000 0.202 81 E C 1.582 178.116 176.600 -0.110 0.000 1.021 81 E CA 1.718 58.117 56.400 -0.002 0.000 0.825 81 E CB -0.099 29.610 29.700 0.014 0.000 0.756 81 E HN 0.391 nan 8.360 nan 0.000 0.454 82 K N -0.148 120.152 120.400 -0.168 0.000 2.404 82 K HA 0.112 4.434 4.320 0.003 0.000 0.194 82 K C 0.264 176.620 176.600 -0.407 0.000 1.023 82 K CA 0.189 56.347 56.287 -0.215 0.000 1.094 82 K CB 0.518 32.934 32.500 -0.140 0.000 0.841 82 K HN -0.056 nan 8.250 nan 0.000 0.523 83 S N 0.638 115.904 115.700 -0.725 0.000 3.550 83 S HA -0.199 4.272 4.470 0.003 0.000 0.372 83 S C -0.513 173.382 174.600 -1.176 0.000 0.966 83 S CA 0.518 57.742 58.200 -1.628 0.000 1.229 83 S CB -0.991 61.421 63.200 -1.313 0.000 0.917 83 S HN 0.594 nan 8.310 nan 0.000 0.496 84 A N 0.420 122.896 122.820 -0.574 0.000 2.606 84 A HA 0.840 5.162 4.320 0.003 0.000 0.293 84 A C -0.843 176.849 177.584 0.180 0.000 1.082 84 A CA -0.670 51.382 52.037 0.026 0.000 0.685 84 A CB 1.321 20.303 19.000 -0.030 0.000 1.284 84 A HN 0.378 nan 8.150 nan 0.000 0.408 85 I N 1.112 121.832 120.570 0.251 0.000 2.474 85 I HA 0.550 4.721 4.170 0.003 0.000 0.294 85 I C -0.078 176.102 176.117 0.104 0.000 1.005 85 I CA -0.248 61.163 61.300 0.185 0.000 1.113 85 I CB 2.241 40.370 38.000 0.214 0.000 1.289 85 I HN 0.624 nan 8.210 nan 0.000 0.436 86 S N 2.557 118.247 115.700 -0.017 0.000 2.599 86 S HA 0.972 5.443 4.470 0.003 0.000 0.287 86 S C -0.049 174.366 174.600 -0.308 0.000 1.105 86 S CA -0.198 57.902 58.200 -0.167 0.000 0.899 86 S CB 2.302 65.442 63.200 -0.100 0.000 1.100 86 S HN 1.049 nan 8.310 nan 0.000 0.482 87 G N 1.123 109.620 108.800 -0.506 0.000 2.288 87 G HA2 0.356 4.317 3.960 0.003 0.000 0.227 87 G HA3 0.356 4.317 3.960 0.003 0.000 0.227 87 G C -1.173 173.368 174.900 -0.600 0.000 1.339 87 G CA -0.005 44.834 45.100 -0.436 0.000 1.057 87 G HN 1.554 nan 8.290 nan 0.000 0.470 88 S N -1.806 113.680 115.700 -0.357 0.000 2.541 88 S HA 0.757 5.228 4.470 0.003 0.000 0.271 88 S C -1.254 173.385 174.600 0.065 0.000 1.133 88 S CA 0.016 58.145 58.200 -0.118 0.000 0.876 88 S CB 1.819 64.997 63.200 -0.037 0.000 1.105 88 S HN 2.104 nan 8.310 nan 0.000 0.470 89 V N 1.867 121.921 119.914 0.234 0.000 2.513 89 V HA 0.787 4.908 4.120 0.003 0.000 0.299 89 V C -0.898 175.096 176.094 -0.168 0.000 1.035 89 V CA -0.006 62.287 62.300 -0.012 0.000 0.889 89 V CB 1.811 33.649 31.823 0.024 0.000 0.988 89 V HN 1.120 nan 8.190 nan 0.000 0.440 90 T N 7.841 122.199 114.554 -0.328 0.000 2.833 90 T HA 0.556 4.908 4.350 0.003 0.000 0.297 90 T C -0.843 173.653 174.700 -0.341 0.000 1.015 90 T CA 0.068 62.039 62.100 -0.215 0.000 0.963 90 T CB 0.381 69.200 68.868 -0.082 0.000 0.955 90 T HN 0.417 nan 8.240 nan 0.000 0.449 91 F N 1.907 121.853 119.950 -0.006 0.000 2.421 91 F HA 0.489 5.018 4.527 0.003 0.000 0.337 91 F C 0.830 176.578 175.800 -0.088 0.000 1.105 91 F CA -1.065 56.903 58.000 -0.054 0.000 1.049 91 F CB 1.250 40.230 39.000 -0.034 0.000 1.139 91 F HN 0.321 nan 8.300 nan 0.000 0.479 92 Q N 3.527 123.376 119.800 0.081 0.000 2.340 92 Q HA 0.572 4.913 4.340 0.003 0.000 0.259 92 Q C -1.091 174.840 176.000 -0.115 0.000 0.964 92 Q CA -0.151 55.632 55.803 -0.033 0.000 0.900 92 Q CB 1.384 30.126 28.738 0.007 0.000 1.228 92 Q HN 0.537 nan 8.270 nan 0.000 0.449 93 L N 2.021 123.023 121.223 -0.368 0.000 2.334 93 L HA 0.603 4.944 4.340 0.003 0.000 0.273 93 L C -0.358 176.354 176.870 -0.262 0.000 1.013 93 L CA -0.950 53.650 54.840 -0.400 0.000 0.816 93 L CB 1.756 43.355 42.059 -0.766 0.000 1.278 93 L HN 0.389 nan 8.230 nan 0.000 0.431 94 K N 2.565 122.952 120.400 -0.021 0.000 2.323 94 K HA 0.393 4.714 4.320 0.003 0.000 0.259 94 K C -0.872 175.845 176.600 0.196 0.000 0.947 94 K CA -0.718 55.622 56.287 0.088 0.000 0.819 94 K CB 1.273 33.809 32.500 0.061 0.000 1.109 94 K HN 0.426 nan 8.250 nan 0.000 0.429 95 K N 4.257 124.803 120.400 0.243 0.000 2.350 95 K HA 0.189 4.510 4.320 0.003 0.000 0.279 95 K C -0.286 176.227 176.600 -0.146 0.000 1.027 95 K CA -0.126 56.162 56.287 0.002 0.000 0.969 95 K CB 0.560 33.062 32.500 0.003 0.000 0.954 95 K HN 0.445 nan 8.250 nan 0.000 0.474 96 L N 2.978 123.988 121.223 -0.355 0.000 2.334 96 L HA 0.449 4.790 4.340 0.003 0.000 0.272 96 L C -0.359 176.239 176.870 -0.454 0.000 1.020 96 L CA -0.987 53.714 54.840 -0.231 0.000 0.812 96 L CB 1.236 43.197 42.059 -0.164 0.000 1.264 96 L HN 0.643 nan 8.230 nan 0.000 0.439 97 H N 0.222 119.241 119.070 -0.084 0.000 2.821 97 H HA 0.647 5.205 4.556 0.003 0.000 0.373 97 H C -1.252 174.038 175.328 -0.063 0.000 1.165 97 H CA -0.794 55.209 56.048 -0.075 0.000 1.154 97 H CB 2.232 31.963 29.762 -0.051 0.000 1.765 97 H HN 0.519 nan 8.280 nan 0.000 0.549 98 E N 1.450 121.683 120.200 0.055 0.000 2.481 98 E HA 0.442 4.794 4.350 0.003 0.000 0.301 98 E C -0.269 176.332 176.600 0.002 0.000 0.948 98 E CA 0.075 56.483 56.400 0.013 0.000 0.804 98 E CB 0.839 30.528 29.700 -0.019 0.000 1.265 98 E HN 1.015 nan 8.360 nan 0.000 0.406 99 G N 3.359 112.160 108.800 0.002 0.000 2.698 99 G HA2 -0.231 3.731 3.960 0.003 0.000 0.233 99 G HA3 -0.231 3.731 3.960 0.003 0.000 0.233 99 G C -0.998 173.903 174.900 0.002 0.000 1.352 99 G CA 0.021 45.119 45.100 -0.004 0.000 0.879 99 G HN 0.668 nan 8.290 nan 0.000 0.567 100 K N -0.339 120.059 120.400 -0.003 0.000 2.385 100 K HA 0.709 5.030 4.320 0.003 0.000 0.248 100 K C 0.007 176.605 176.600 -0.003 0.000 0.955 100 K CA -0.691 55.596 56.287 -0.001 0.000 0.816 100 K CB 1.453 33.950 32.500 -0.005 0.000 1.250 100 K HN 0.741 nan 8.250 nan 0.000 0.434 101 N N 0.978 119.678 118.700 0.000 0.000 2.727 101 N HA -0.127 4.614 4.740 0.003 0.000 0.251 101 N C -1.190 174.315 175.510 -0.007 0.000 1.040 101 N CA 0.877 53.926 53.050 -0.002 0.000 0.712 101 N CB -0.758 37.726 38.487 -0.005 0.000 0.912 101 N HN 0.580 nan 8.380 nan 0.000 0.545 102 K N 0.074 120.470 120.400 -0.007 0.000 2.095 102 K HA 0.459 4.780 4.320 0.003 0.000 0.252 102 K C 0.647 177.230 176.600 -0.029 0.000 0.977 102 K CA -0.497 55.775 56.287 -0.024 0.000 0.900 102 K CB 0.969 33.447 32.500 -0.037 0.000 1.060 102 K HN 0.107 nan 8.250 nan 0.000 0.449 103 S N 0.926 116.600 115.700 -0.043 0.000 2.579 103 S HA 0.023 4.494 4.470 0.003 0.000 0.275 103 S C -0.026 174.532 174.600 -0.069 0.000 1.345 103 S CA -0.291 57.883 58.200 -0.043 0.000 1.031 103 S CB 0.389 63.563 63.200 -0.043 0.000 0.892 103 S HN 0.418 nan 8.310 nan 0.000 0.529 104 D N 1.524 121.892 120.400 -0.054 0.000 2.408 104 D HA 0.336 4.977 4.640 0.003 0.000 0.261 104 D C -0.545 175.725 176.300 -0.049 0.000 1.190 104 D CA -0.274 53.686 54.000 -0.066 0.000 0.910 104 D CB 0.417 41.198 40.800 -0.030 0.000 1.097 104 D HN 0.516 nan 8.370 nan 0.000 0.522 105 E N 0.788 120.937 120.200 -0.084 0.000 2.316 105 E HA 0.629 4.980 4.350 0.003 0.000 0.258 105 E C -1.009 175.616 176.600 0.042 0.000 0.952 105 E CA -1.155 55.178 56.400 -0.111 0.000 0.818 105 E CB 2.372 31.847 29.700 -0.375 0.000 1.260 105 E HN 0.137 nan 8.360 nan 0.000 0.416 106 L N 1.766 122.997 121.223 0.013 0.000 2.568 106 L HA 0.338 4.679 4.340 0.003 0.000 0.262 106 L C -2.068 174.924 176.870 0.204 0.000 0.980 106 L CA -0.349 54.613 54.840 0.203 0.000 0.882 106 L CB 0.887 43.059 42.059 0.189 0.000 1.198 106 L HN 0.480 nan 8.230 nan 0.000 0.425 107 H N 5.676 124.847 119.070 0.169 0.000 2.505 107 H HA 0.675 5.232 4.556 0.003 0.000 0.338 107 H C -0.703 174.555 175.328 -0.117 0.000 1.057 107 H CA -0.558 55.521 56.048 0.053 0.000 1.202 107 H CB 1.904 31.735 29.762 0.116 0.000 1.466 107 H HN 0.522 nan 8.280 nan 0.000 0.499 108 L N 1.583 122.741 121.223 -0.108 0.000 2.303 108 L HA 0.406 4.748 4.340 0.003 0.000 0.266 108 L C 0.125 176.879 176.870 -0.192 0.000 1.011 108 L CA -1.017 53.614 54.840 -0.347 0.000 0.818 108 L CB 1.830 43.605 42.059 -0.474 0.000 1.326 108 L HN 0.458 nan 8.230 nan 0.000 0.435 109 D N 1.018 121.288 120.400 -0.217 0.000 2.210 109 D HA 0.415 5.057 4.640 0.003 0.000 0.249 109 D C -0.186 176.002 176.300 -0.186 0.000 1.062 109 D CA 0.184 54.092 54.000 -0.154 0.000 0.891 109 D CB 2.146 42.868 40.800 -0.129 0.000 1.186 109 D HN 0.592 nan 8.370 nan 0.000 0.432 110 T N -1.896 112.568 114.554 -0.150 0.000 2.933 110 T HA 0.499 4.851 4.350 0.003 0.000 0.305 110 T C -0.774 173.841 174.700 -0.142 0.000 1.092 110 T CA -0.852 61.158 62.100 -0.149 0.000 1.008 110 T CB 1.774 70.574 68.868 -0.113 0.000 1.102 110 T HN 0.091 nan 8.240 nan 0.000 0.469 111 S N 2.050 117.673 115.700 -0.128 0.000 2.659 111 S HA 0.504 4.975 4.470 0.003 0.000 0.312 111 S C -1.077 173.492 174.600 -0.052 0.000 1.114 111 S CA -0.548 57.548 58.200 -0.173 0.000 1.063 111 S CB -0.194 62.931 63.200 -0.125 0.000 0.996 111 S HN 0.780 nan 8.310 nan 0.000 0.478 112 Y N 1.815 122.121 120.300 0.010 0.000 3.001 112 Y HA -0.172 4.380 4.550 0.003 0.000 0.207 112 Y C -0.541 175.381 175.900 0.037 0.000 1.231 112 Y CA 0.233 58.349 58.100 0.026 0.000 1.024 112 Y CB -1.551 36.926 38.460 0.028 0.000 1.267 112 Y HN 0.537 nan 8.280 nan 0.000 0.501 113 L N 1.166 122.472 121.223 0.139 0.000 2.365 113 L HA 0.545 4.886 4.340 0.003 0.000 0.273 113 L C -0.387 176.564 176.870 0.136 0.000 1.000 113 L CA -0.951 53.960 54.840 0.118 0.000 0.819 113 L CB 1.626 43.697 42.059 0.020 0.000 1.284 113 L HN 0.117 nan 8.230 nan 0.000 0.418 114 D N 2.971 123.477 120.400 0.176 0.000 2.428 114 D HA 0.232 4.874 4.640 0.003 0.000 0.221 114 D C -0.948 175.473 176.300 0.202 0.000 1.123 114 D CA -0.086 54.017 54.000 0.172 0.000 0.869 114 D CB 0.941 41.832 40.800 0.153 0.000 1.032 114 D HN 0.200 nan 8.370 nan 0.000 0.506 115 V N 5.811 125.834 119.914 0.182 0.000 2.339 115 V HA 0.085 4.207 4.120 0.003 0.000 0.261 115 V C 1.408 177.623 176.094 0.202 0.000 1.058 115 V CA -0.162 62.226 62.300 0.146 0.000 0.897 115 V CB 0.991 32.828 31.823 0.023 0.000 1.052 115 V HN 0.509 nan 8.190 nan 0.000 0.480 116 Q N 3.229 123.129 119.800 0.166 0.000 2.062 116 Q HA 0.035 4.376 4.340 0.003 0.000 0.196 116 Q C 0.482 176.612 176.000 0.217 0.000 0.967 116 Q CA 1.165 57.075 55.803 0.178 0.000 0.832 116 Q CB 0.363 29.171 28.738 0.116 0.000 0.899 116 Q HN 0.958 nan 8.270 nan 0.000 0.442 117 E N -1.845 118.421 120.200 0.110 0.000 2.429 117 E HA 0.542 4.894 4.350 0.003 0.000 0.280 117 E C -1.490 175.040 176.600 -0.117 0.000 1.068 117 E CA -0.802 55.656 56.400 0.096 0.000 0.837 117 E CB 1.567 31.329 29.700 0.103 0.000 1.357 117 E HN -0.164 nan 8.360 nan 0.000 0.455 118 V N 1.406 121.206 119.914 -0.191 0.000 2.577 118 V HA 0.389 4.511 4.120 0.003 0.000 0.303 118 V C -1.094 174.836 176.094 -0.274 0.000 1.042 118 V CA -0.684 61.492 62.300 -0.206 0.000 0.872 118 V CB 1.626 33.303 31.823 -0.243 0.000 0.998 118 V HN 0.609 nan 8.190 nan 0.000 0.423 119 H N 5.003 124.121 119.070 0.080 0.000 2.609 119 H HA 0.589 5.146 4.556 0.003 0.000 0.344 119 H C -0.945 174.452 175.328 0.115 0.000 1.040 119 H CA -0.436 55.668 56.048 0.093 0.000 1.216 119 H CB 2.610 32.419 29.762 0.078 0.000 1.529 119 H HN 0.470 nan 8.280 nan 0.000 0.519 120 I N 2.899 123.604 120.570 0.225 0.000 2.362 120 I HA 0.023 4.195 4.170 0.003 0.000 0.289 120 I C -0.135 176.098 176.117 0.192 0.000 0.994 120 I CA -0.425 61.006 61.300 0.219 0.000 1.158 120 I CB 1.200 39.280 38.000 0.133 0.000 1.315 120 I HN 0.603 nan 8.210 nan 0.000 0.451 121 D N 5.513 126.035 120.400 0.203 0.000 2.701 121 D HA -0.192 4.449 4.640 0.003 0.000 0.235 121 D C 0.984 177.350 176.300 0.110 0.000 1.155 121 D CA 1.690 55.779 54.000 0.149 0.000 0.649 121 D CB -0.939 39.946 40.800 0.141 0.000 1.050 121 D HN 1.125 nan 8.370 nan 0.000 0.425 122 G N -1.025 107.840 108.800 0.108 0.000 2.198 122 G HA2 -0.217 3.745 3.960 0.003 0.000 0.257 122 G HA3 -0.217 3.745 3.960 0.003 0.000 0.257 122 G C 0.112 175.067 174.900 0.093 0.000 1.042 122 G CA 0.466 45.593 45.100 0.046 0.000 0.791 122 G HN 0.634 nan 8.290 nan 0.000 0.502 123 S N -0.759 115.077 115.700 0.227 0.000 2.548 123 S HA 0.494 4.965 4.470 0.003 0.000 0.276 123 S C -0.015 174.800 174.600 0.358 0.000 1.129 123 S CA -0.848 57.509 58.200 0.261 0.000 0.931 123 S CB 2.032 65.316 63.200 0.140 0.000 1.068 123 S HN 0.573 nan 8.310 nan 0.000 0.480 124 K N 1.944 122.525 120.400 0.301 0.000 2.511 124 K HA 0.284 4.605 4.320 0.003 0.000 0.280 124 K C -0.293 176.329 176.600 0.037 0.000 1.008 124 K CA 0.141 56.432 56.287 0.007 0.000 1.050 124 K CB 0.178 32.697 32.500 0.032 0.000 0.889 124 K HN 0.689 nan 8.250 nan 0.000 0.484 125 A N 4.568 127.398 122.820 0.017 0.000 2.342 125 A HA 0.262 4.583 4.320 0.003 0.000 0.323 125 A C -1.041 176.619 177.584 0.127 0.000 1.125 125 A CA -0.928 51.150 52.037 0.068 0.000 0.785 125 A CB 0.904 19.946 19.000 0.070 0.000 1.221 125 A HN 0.769 nan 8.150 nan 0.000 0.463 126 D N 1.303 121.757 120.400 0.090 0.000 2.455 126 D HA 0.463 5.105 4.640 0.003 0.000 0.241 126 D C -0.395 176.004 176.300 0.166 0.000 1.138 126 D CA 1.195 55.235 54.000 0.066 0.000 0.877 126 D CB 0.311 41.120 40.800 0.015 0.000 1.187 126 D HN 0.423 nan 8.370 nan 0.000 0.451 127 F N -0.446 119.504 119.950 -0.001 0.000 2.662 127 F HA 0.520 5.048 4.527 0.003 0.000 0.312 127 F C -1.515 174.289 175.800 0.007 0.000 1.113 127 F CA -1.105 56.899 58.000 0.008 0.000 0.951 127 F CB 1.363 40.368 39.000 0.009 0.000 1.344 127 F HN 0.106 nan 8.300 nan 0.000 0.462 128 Q N 3.031 122.944 119.800 0.188 0.000 2.315 128 Q HA 0.465 4.806 4.340 0.003 0.000 0.273 128 Q C -1.649 174.455 176.000 0.173 0.000 1.053 128 Q CA -0.767 55.077 55.803 0.069 0.000 0.817 128 Q CB 2.726 31.468 28.738 0.007 0.000 1.326 128 Q HN 0.790 nan 8.270 nan 0.000 0.423 129 I N 1.855 122.511 120.570 0.142 0.000 2.304 129 I HA 0.266 4.438 4.170 0.003 0.000 0.291 129 I C 0.717 176.854 176.117 0.034 0.000 1.018 129 I CA -0.349 61.012 61.300 0.101 0.000 1.260 129 I CB 0.768 38.838 38.000 0.116 0.000 1.390 129 I HN 0.633 nan 8.210 nan 0.000 0.475 130 E N 4.325 124.526 120.200 0.001 0.000 2.397 130 E HA 0.075 4.427 4.350 0.003 0.000 0.254 130 E C 0.113 176.703 176.600 -0.017 0.000 1.231 130 E CA -0.517 55.872 56.400 -0.018 0.000 0.954 130 E CB 0.709 30.382 29.700 -0.044 0.000 1.024 130 E HN 0.459 nan 8.360 nan 0.000 0.481 131 Q N 1.858 121.648 119.800 -0.017 0.000 2.271 131 Q HA -0.026 4.315 4.340 0.003 0.000 0.273 131 Q C -0.225 175.759 176.000 -0.027 0.000 1.051 131 Q CA 0.030 55.825 55.803 -0.013 0.000 0.901 131 Q CB 0.563 29.297 28.738 -0.007 0.000 1.174 131 Q HN 0.316 nan 8.270 nan 0.000 0.385 132 R N 3.562 124.041 120.500 -0.036 0.000 2.523 132 R HA -0.072 4.269 4.340 0.003 0.000 0.281 132 R C -0.898 175.371 176.300 -0.052 0.000 0.969 132 R CA 0.904 56.961 56.100 -0.072 0.000 1.093 132 R CB 0.418 30.652 30.300 -0.110 0.000 0.917 132 R HN 0.450 nan 8.270 nan 0.000 0.408 133 K N 2.382 122.747 120.400 -0.059 0.000 2.350 133 K HA 0.347 4.668 4.320 0.003 0.000 0.241 133 K C -0.993 175.582 176.600 -0.042 0.000 0.994 133 K CA -0.892 55.374 56.287 -0.035 0.000 0.839 133 K CB 1.752 34.239 32.500 -0.022 0.000 1.244 133 K HN 0.461 nan 8.250 nan 0.000 0.443 134 E N 1.625 121.813 120.200 -0.019 0.000 2.202 134 E HA 0.220 4.572 4.350 0.003 0.000 0.272 134 E C -1.883 174.714 176.600 -0.005 0.000 0.951 134 E CA -1.803 54.588 56.400 -0.016 0.000 0.813 134 E CB 1.392 31.094 29.700 0.004 0.000 1.151 134 E HN 0.416 nan 8.360 nan 0.000 0.398 135 P HA 0.199 nan 4.420 nan 0.000 0.261 135 P C 0.924 178.192 177.300 -0.052 0.000 1.268 135 P CA 0.184 63.269 63.100 -0.026 0.000 0.833 135 P CB 0.503 32.188 31.700 -0.024 0.000 1.231 136 L N -1.212 119.984 121.223 -0.045 0.000 2.478 136 L HA 0.188 4.530 4.340 0.003 0.000 0.223 136 L C 1.464 178.283 176.870 -0.085 0.000 1.140 136 L CA 0.777 55.586 54.840 -0.052 0.000 0.842 136 L CB -0.874 41.178 42.059 -0.012 0.000 0.953 136 L HN 0.160 nan 8.230 nan 0.000 0.452 137 G N -0.314 108.417 108.800 -0.115 0.000 2.466 137 G HA2 -0.214 3.748 3.960 0.003 0.000 0.218 137 G HA3 -0.214 3.748 3.960 0.003 0.000 0.218 137 G C -0.437 174.380 174.900 -0.137 0.000 1.237 137 G CA -0.370 44.627 45.100 -0.172 0.000 0.954 137 G HN 0.077 nan 8.290 nan 0.000 0.580 138 S N 0.365 115.982 115.700 -0.137 0.000 2.594 138 S HA 0.550 5.022 4.470 0.003 0.000 0.322 138 S C 0.329 174.881 174.600 -0.080 0.000 1.085 138 S CA -0.484 57.657 58.200 -0.099 0.000 1.116 138 S CB 1.438 64.582 63.200 -0.092 0.000 0.979 138 S HN 0.744 nan 8.310 nan 0.000 0.465 139 R N 2.705 123.161 120.500 -0.074 0.000 2.484 139 R HA 0.122 4.464 4.340 0.003 0.000 0.293 139 R C -0.494 175.769 176.300 -0.062 0.000 1.023 139 R CA -0.395 55.655 56.100 -0.083 0.000 1.037 139 R CB 0.108 30.330 30.300 -0.129 0.000 0.951 139 R HN 0.466 nan 8.270 nan 0.000 0.418 140 L N 6.516 127.708 121.223 -0.052 0.000 2.268 140 L HA 0.257 4.598 4.340 0.003 0.000 0.289 140 L C -1.180 175.712 176.870 0.036 0.000 1.064 140 L CA -0.115 54.722 54.840 -0.004 0.000 0.824 140 L CB 1.325 43.350 42.059 -0.057 0.000 1.202 140 L HN 0.335 nan 8.230 nan 0.000 0.433 141 V N 7.171 127.135 119.914 0.083 0.000 2.383 141 V HA 0.431 4.552 4.120 0.003 0.000 0.275 141 V C 0.325 176.536 176.094 0.194 0.000 1.036 141 V CA -0.314 62.076 62.300 0.150 0.000 0.889 141 V CB 1.182 33.053 31.823 0.080 0.000 0.985 141 V HN 0.607 nan 8.190 nan 0.000 0.459 142 I N 4.292 124.979 120.570 0.194 0.000 2.406 142 I HA 0.373 4.545 4.170 0.003 0.000 0.290 142 I C -0.045 176.147 176.117 0.126 0.000 0.999 142 I CA -0.590 60.807 61.300 0.162 0.000 1.124 142 I CB 1.826 39.888 38.000 0.104 0.000 1.289 142 I HN 0.471 nan 8.210 nan 0.000 0.441 143 N N 5.550 124.314 118.700 0.108 0.000 2.415 143 N HA 0.034 4.776 4.740 0.003 0.000 0.250 143 N C -0.583 174.944 175.510 0.028 0.000 1.127 143 N CA 0.027 53.116 53.050 0.065 0.000 0.945 143 N CB 0.250 38.771 38.487 0.057 0.000 1.196 143 N HN 0.459 nan 8.380 nan 0.000 0.499 144 N N 2.715 121.409 118.700 -0.011 0.000 2.439 144 N HA 0.177 4.918 4.740 0.003 0.000 0.243 144 N C 0.183 175.643 175.510 -0.083 0.000 1.088 144 N CA -0.277 52.716 53.050 -0.094 0.000 0.940 144 N CB 0.735 39.099 38.487 -0.204 0.000 1.180 144 N HN 0.496 nan 8.380 nan 0.000 0.505 145 A N 2.327 125.115 122.820 -0.054 0.000 2.278 145 A HA 0.079 4.401 4.320 0.003 0.000 0.212 145 A C 1.111 178.674 177.584 -0.035 0.000 1.213 145 A CA -0.173 51.848 52.037 -0.028 0.000 0.840 145 A CB -0.150 18.848 19.000 -0.002 0.000 0.866 145 A HN 0.538 nan 8.150 nan 0.000 0.489 146 S N -1.835 113.818 115.700 -0.078 0.000 2.603 146 S HA 0.211 4.682 4.470 0.003 0.000 0.268 146 S C 1.203 175.783 174.600 -0.033 0.000 1.317 146 S CA -0.270 57.894 58.200 -0.060 0.000 1.012 146 S CB 0.637 63.767 63.200 -0.117 0.000 0.926 146 S HN 0.448 nan 8.310 nan 0.000 0.539 147 C N 2.217 121.521 119.300 0.007 0.000 2.524 147 C HA 0.220 4.682 4.460 0.003 0.000 0.284 147 C C 0.876 175.900 174.990 0.056 0.000 1.346 147 C CA -0.520 58.514 59.018 0.027 0.000 1.739 147 C CB -1.212 26.546 27.740 0.031 0.000 2.119 147 C HN 0.756 nan 8.230 nan 0.000 0.501 148 N N 2.463 121.212 118.700 0.082 0.000 2.508 148 N HA 0.048 4.789 4.740 0.003 0.000 0.264 148 N C 0.067 175.705 175.510 0.214 0.000 1.216 148 N CA 0.203 53.333 53.050 0.133 0.000 0.943 148 N CB 0.402 38.975 38.487 0.144 0.000 1.113 148 N HN 0.328 nan 8.380 nan 0.000 0.447 149 D N 0.090 120.624 120.400 0.223 0.000 2.269 149 D HA -0.027 4.615 4.640 0.003 0.000 0.208 149 D C -0.171 176.342 176.300 0.355 0.000 0.963 149 D CA 1.045 55.226 54.000 0.301 0.000 0.864 149 D CB 0.139 41.103 40.800 0.273 0.000 0.936 149 D HN 0.455 nan 8.370 nan 0.000 0.505 150 N N 0.291 119.161 118.700 0.283 0.000 2.408 150 N HA 0.358 5.100 4.740 0.003 0.000 0.280 150 N C -0.697 175.002 175.510 0.314 0.000 1.002 150 N CA -0.305 52.872 53.050 0.211 0.000 0.907 150 N CB 1.503 40.057 38.487 0.112 0.000 1.161 150 N HN -0.028 nan 8.380 nan 0.000 0.488 151 F N -1.404 118.608 119.950 0.104 0.000 2.685 151 F HA 0.544 5.072 4.527 0.003 0.000 0.315 151 F C -0.774 175.083 175.800 0.095 0.000 1.126 151 F CA -0.931 57.126 58.000 0.094 0.000 0.950 151 F CB 1.331 40.391 39.000 0.099 0.000 1.360 151 F HN -0.032 nan 8.300 nan 0.000 0.469 152 T N 2.943 117.639 114.554 0.238 0.000 2.786 152 T HA 0.546 4.897 4.350 0.003 0.000 0.283 152 T C -1.433 173.422 174.700 0.259 0.000 0.992 152 T CA -0.340 61.842 62.100 0.137 0.000 0.954 152 T CB 1.188 70.124 68.868 0.114 0.000 0.934 152 T HN 0.663 nan 8.240 nan 0.000 0.440 153 L N 4.502 125.862 121.223 0.228 0.000 2.287 153 L HA 0.680 5.022 4.340 0.003 0.000 0.287 153 L C -0.511 176.507 176.870 0.246 0.000 1.022 153 L CA -0.464 54.557 54.840 0.302 0.000 0.814 153 L CB 1.074 43.334 42.059 0.335 0.000 1.217 153 L HN 0.562 nan 8.230 nan 0.000 0.420 154 N N 4.770 123.599 118.700 0.213 0.000 2.399 154 N HA 0.644 5.385 4.740 0.003 0.000 0.284 154 N C -1.631 173.978 175.510 0.164 0.000 1.025 154 N CA -0.385 52.766 53.050 0.169 0.000 0.885 154 N CB 1.198 39.778 38.487 0.155 0.000 1.339 154 N HN 0.580 nan 8.380 nan 0.000 0.487 155 I N 2.026 122.695 120.570 0.164 0.000 2.447 155 I HA 0.291 4.463 4.170 0.003 0.000 0.287 155 I C -0.373 175.878 176.117 0.223 0.000 1.023 155 I CA -0.751 60.636 61.300 0.145 0.000 1.083 155 I CB 2.007 40.092 38.000 0.142 0.000 1.245 155 I HN 0.369 nan 8.210 nan 0.000 0.434 156 Q N 5.906 125.790 119.800 0.140 0.000 2.243 156 Q HA 0.673 5.015 4.340 0.003 0.000 0.252 156 Q C -1.164 174.931 176.000 0.157 0.000 0.909 156 Q CA -0.395 55.455 55.803 0.078 0.000 0.922 156 Q CB 1.823 30.587 28.738 0.044 0.000 1.215 156 Q HN 0.559 nan 8.270 nan 0.000 0.427 157 F N -1.300 118.677 119.950 0.045 0.000 2.711 157 F HA 0.711 5.239 4.527 0.002 0.000 0.313 157 F C -1.310 174.529 175.800 0.066 0.000 1.141 157 F CA -1.302 56.732 58.000 0.056 0.000 0.941 157 F CB 1.509 40.550 39.000 0.069 0.000 1.349 157 F HN 0.221 nan 8.300 nan 0.000 0.464 158 R N 0.705 121.375 120.500 0.282 0.000 2.686 158 R HA 0.549 4.891 4.340 0.003 0.000 0.283 158 R C -0.856 175.641 176.300 0.329 0.000 0.978 158 R CA -0.847 55.374 56.100 0.201 0.000 0.897 158 R CB 2.481 32.844 30.300 0.104 0.000 1.192 158 R HN 0.973 nan 8.270 nan 0.000 0.457 159 T N -0.795 113.942 114.554 0.306 0.000 2.860 159 T HA 0.198 4.549 4.350 0.003 0.000 0.299 159 T C 0.533 175.333 174.700 0.167 0.000 1.045 159 T CA -0.280 61.971 62.100 0.252 0.000 1.071 159 T CB 1.186 70.212 68.868 0.262 0.000 0.985 159 T HN 0.311 nan 8.240 nan 0.000 0.537 160 T N 1.024 115.666 114.554 0.146 0.000 2.936 160 T HA 0.276 4.628 4.350 0.003 0.000 0.282 160 T C 1.302 176.033 174.700 0.051 0.000 1.003 160 T CA -0.478 61.678 62.100 0.092 0.000 1.005 160 T CB 1.059 69.990 68.868 0.106 0.000 1.097 160 T HN 0.850 nan 8.240 nan 0.000 0.532 161 D N 0.312 120.711 120.400 -0.001 0.000 2.378 161 D HA -0.079 4.562 4.640 0.003 0.000 0.222 161 D C 0.828 177.092 176.300 -0.060 0.000 0.980 161 D CA 0.826 54.804 54.000 -0.036 0.000 0.907 161 D CB 0.156 40.922 40.800 -0.057 0.000 0.899 161 D HN 0.409 nan 8.370 nan 0.000 0.527 162 K N -0.032 120.312 120.400 -0.092 0.000 2.373 162 K HA 0.113 4.435 4.320 0.003 0.000 0.202 162 K C 0.313 176.875 176.600 -0.064 0.000 1.025 162 K CA -0.425 55.731 56.287 -0.219 0.000 1.115 162 K CB 0.577 32.696 32.500 -0.635 0.000 0.858 162 K HN 0.115 nan 8.250 nan 0.000 0.525 163 C N 1.308 120.643 119.300 0.059 0.000 2.596 163 C HA 0.020 4.482 4.460 0.003 0.000 0.414 163 C C 1.612 176.649 174.990 0.079 0.000 1.396 163 C CA 0.323 59.416 59.018 0.125 0.000 1.698 163 C CB -0.022 27.812 27.740 0.156 0.000 2.572 163 C HN 0.456 nan 8.230 nan 0.000 0.604 164 T N 4.295 118.890 114.554 0.069 0.000 3.044 164 T HA 0.133 4.485 4.350 0.003 0.000 0.250 164 T C 1.714 176.304 174.700 -0.183 0.000 1.081 164 T CA 0.847 62.907 62.100 -0.066 0.000 1.040 164 T CB 0.145 68.984 68.868 -0.048 0.000 0.962 164 T HN 0.903 nan 8.240 nan 0.000 0.506 165 A N 0.743 123.529 122.820 -0.057 0.000 2.030 165 A HA 0.411 4.732 4.320 0.003 0.000 0.215 165 A C 0.760 178.270 177.584 -0.123 0.000 1.164 165 A CA 0.431 52.435 52.037 -0.056 0.000 0.697 165 A CB 0.021 19.041 19.000 0.034 0.000 0.827 165 A HN 0.404 nan 8.150 nan 0.000 0.457 166 L N 0.578 121.719 121.223 -0.136 0.000 2.334 166 L HA 0.421 4.762 4.340 0.003 0.000 0.276 166 L C -0.897 175.735 176.870 -0.396 0.000 1.014 166 L CA -0.839 53.801 54.840 -0.335 0.000 0.815 166 L CB 1.747 43.583 42.059 -0.372 0.000 1.268 166 L HN 0.183 nan 8.230 nan 0.000 0.428 167 Q N 2.177 121.566 119.800 -0.685 0.000 2.333 167 Q HA 0.345 4.686 4.340 0.003 0.000 0.268 167 Q C -1.522 174.170 176.000 -0.514 0.000 1.007 167 Q CA -0.276 55.207 55.803 -0.532 0.000 0.810 167 Q CB 2.124 30.332 28.738 -0.884 0.000 1.264 167 Q HN 0.407 nan 8.270 nan 0.000 0.452 168 W N 3.019 124.277 121.300 -0.070 0.000 2.627 168 W HA 0.687 5.348 4.660 0.002 0.000 0.339 168 W C -0.443 176.124 176.519 0.080 0.000 1.058 168 W CA -0.521 56.846 57.345 0.036 0.000 1.223 168 W CB 1.093 30.570 29.460 0.029 0.000 1.389 168 W HN 0.360 nan 8.180 nan 0.000 0.541 169 L N 2.999 124.476 121.223 0.424 0.000 2.431 169 L HA 0.428 4.769 4.340 0.003 0.000 0.266 169 L C -0.078 176.955 176.870 0.272 0.000 0.978 169 L CA -1.076 53.946 54.840 0.304 0.000 0.822 169 L CB 1.478 43.741 42.059 0.340 0.000 1.310 169 L HN 0.519 nan 8.230 nan 0.000 0.409 170 N N -0.520 118.279 118.700 0.165 0.000 2.413 170 N HA 0.168 4.910 4.740 0.003 0.000 0.266 170 N C 0.819 176.379 175.510 0.082 0.000 1.238 170 N CA -0.234 52.884 53.050 0.112 0.000 0.972 170 N CB 0.519 39.043 38.487 0.061 0.000 1.210 170 N HN 0.569 nan 8.380 nan 0.000 0.547 171 S N -1.738 113.988 115.700 0.043 0.000 2.474 171 S HA -0.126 4.345 4.470 0.003 0.000 0.235 171 S C 1.317 175.923 174.600 0.010 0.000 0.997 171 S CA 0.620 58.834 58.200 0.022 0.000 0.949 171 S CB -0.400 62.800 63.200 -0.001 0.000 0.766 171 S HN 0.682 nan 8.310 nan 0.000 0.517 172 K N 0.677 121.080 120.400 0.006 0.000 2.459 172 K HA 0.147 4.468 4.320 0.003 0.000 0.193 172 K C 1.393 177.986 176.600 -0.011 0.000 1.030 172 K CA 0.374 56.653 56.287 -0.013 0.000 1.026 172 K CB 0.044 32.530 32.500 -0.024 0.000 0.809 172 K HN 0.459 nan 8.250 nan 0.000 0.504 173 Q N 0.041 119.854 119.800 0.020 0.000 2.194 173 Q HA 0.045 4.386 4.340 0.003 0.000 0.214 173 Q C -0.582 175.446 176.000 0.048 0.000 0.838 173 Q CA -0.076 55.751 55.803 0.039 0.000 0.972 173 Q CB 1.654 30.440 28.738 0.080 0.000 1.131 173 Q HN 0.160 nan 8.270 nan 0.000 0.498 174 T N -3.855 110.717 114.554 0.029 0.000 2.893 174 T HA 0.378 4.729 4.350 0.003 0.000 0.291 174 T C 0.560 175.254 174.700 -0.010 0.000 1.028 174 T CA -0.891 61.219 62.100 0.017 0.000 0.995 174 T CB 2.153 71.038 68.868 0.029 0.000 1.051 174 T HN -0.149 nan 8.240 nan 0.000 0.470 175 K N 1.478 121.868 120.400 -0.016 0.000 2.148 175 K HA -0.007 4.315 4.320 0.003 0.000 0.204 175 K C 2.400 178.908 176.600 -0.153 0.000 1.050 175 K CA 1.305 57.507 56.287 -0.142 0.000 0.942 175 K CB -0.659 31.665 32.500 -0.294 0.000 0.724 175 K HN 0.860 nan 8.250 nan 0.000 0.446 176 G N 0.169 108.990 108.800 0.035 0.000 2.440 176 G HA2 -0.196 3.765 3.960 0.003 0.000 0.218 176 G HA3 -0.196 3.765 3.960 0.003 0.000 0.218 176 G C 1.059 175.969 174.900 0.017 0.000 1.154 176 G CA 1.424 46.578 45.100 0.090 0.000 0.767 176 G HN 0.489 nan 8.290 nan 0.000 0.552 177 G N -1.303 107.500 108.800 0.004 0.000 2.316 177 G HA2 -0.178 3.783 3.960 0.003 0.000 0.203 177 G HA3 -0.178 3.783 3.960 0.003 0.000 0.203 177 G C 0.422 175.322 174.900 -0.001 0.000 0.999 177 G CA 0.323 45.418 45.100 -0.008 0.000 0.649 177 G HN 0.672 nan 8.290 nan 0.000 0.489 178 K N 1.352 121.759 120.400 0.012 0.000 2.139 178 K HA 0.608 4.929 4.320 0.003 0.000 0.243 178 K C -2.445 174.161 176.600 0.011 0.000 0.983 178 K CA -1.943 54.337 56.287 -0.013 0.000 0.890 178 K CB 1.957 34.444 32.500 -0.022 0.000 1.090 178 K HN 0.057 nan 8.250 nan 0.000 0.445 179 P HA 0.094 nan 4.420 nan 0.000 0.277 179 P C -1.457 175.969 177.300 0.211 0.000 1.276 179 P CA -0.162 62.960 63.100 0.037 0.000 0.788 179 P CB 0.379 32.007 31.700 -0.119 0.000 1.114 180 Y N -1.650 118.804 120.300 0.256 0.000 2.521 180 Y HA 0.498 5.049 4.550 0.002 0.000 0.328 180 Y C -1.749 174.387 175.900 0.394 0.000 1.151 180 Y CA -0.839 57.456 58.100 0.325 0.000 1.054 180 Y CB 1.616 40.215 38.460 0.232 0.000 1.338 180 Y HN 0.275 nan 8.280 nan 0.000 0.453 181 V N 7.427 127.257 119.914 -0.140 0.000 2.841 181 V HA 0.801 4.923 4.120 0.003 0.000 0.310 181 V C -1.825 173.991 176.094 -0.462 0.000 1.090 181 V CA -0.680 61.376 62.300 -0.407 0.000 0.930 181 V CB 1.820 33.099 31.823 -0.908 0.000 1.014 181 V HN 0.670 nan 8.190 nan 0.000 0.425 182 F N 3.255 122.975 119.950 -0.384 0.000 2.613 182 F HA 0.883 5.411 4.527 0.003 0.000 0.310 182 F C -0.262 175.503 175.800 -0.058 0.000 1.085 182 F CA -0.573 57.331 58.000 -0.160 0.000 0.945 182 F CB 1.403 40.449 39.000 0.078 0.000 1.298 182 F HN 0.561 nan 8.300 nan 0.000 0.455 183 S N 1.383 117.160 115.700 0.129 0.000 2.646 183 S HA 0.643 5.114 4.470 0.003 0.000 0.276 183 S C -0.694 173.968 174.600 0.103 0.000 1.222 183 S CA -0.512 57.681 58.200 -0.012 0.000 1.014 183 S CB 1.703 64.887 63.200 -0.027 0.000 0.991 183 S HN 0.894 nan 8.310 nan 0.000 0.533 184 Q N 1.216 121.008 119.800 -0.013 0.000 2.786 184 Q HA 0.447 4.789 4.340 0.003 0.000 0.240 184 Q C -0.974 175.012 176.000 -0.025 0.000 0.928 184 Q CA -0.358 55.440 55.803 -0.007 0.000 0.721 184 Q CB 0.607 29.339 28.738 -0.010 0.000 1.318 184 Q HN 0.632 nan 8.270 nan 0.000 0.474 185 L N 1.293 122.508 121.223 -0.013 0.000 2.298 185 L HA 0.314 4.655 4.340 0.003 0.000 0.209 185 L C 0.733 177.637 176.870 0.057 0.000 1.084 185 L CA 0.853 55.727 54.840 0.057 0.000 0.816 185 L CB -0.195 41.888 42.059 0.039 0.000 0.967 185 L HN 0.675 nan 8.230 nan 0.000 0.460 186 E N -0.502 119.712 120.200 0.023 0.000 2.376 186 E HA 0.172 4.523 4.350 0.003 0.000 0.266 186 E C 0.738 177.132 176.600 -0.343 0.000 1.009 186 E CA 0.368 56.678 56.400 -0.150 0.000 0.902 186 E CB 1.284 30.943 29.700 -0.068 0.000 0.972 186 E HN 0.260 nan 8.360 nan 0.000 0.439 187 A N 5.048 127.453 122.820 -0.692 0.000 1.887 187 A HA 0.052 4.374 4.320 0.003 0.000 0.210 187 A C 1.439 178.625 177.584 -0.664 0.000 1.221 187 A CA 0.692 52.077 52.037 -1.087 0.000 0.635 187 A CB -0.077 17.799 19.000 -1.874 0.000 0.881 187 A HN 0.716 nan 8.150 nan 0.000 0.456 188 I N -4.610 115.533 120.570 -0.711 0.000 3.158 188 I HA 0.429 4.601 4.170 0.003 0.000 0.344 188 I C 0.246 176.097 176.117 -0.443 0.000 1.459 188 I CA -0.357 60.683 61.300 -0.434 0.000 0.956 188 I CB 0.101 37.900 38.000 -0.334 0.000 1.793 188 I HN 0.101 nan 8.210 nan 0.000 0.522 189 H N 1.412 120.407 119.070 -0.125 0.000 2.648 189 H HA 0.374 4.932 4.556 0.003 0.000 0.265 189 H C 2.153 177.427 175.328 -0.090 0.000 0.961 189 H CA 0.766 56.755 56.048 -0.100 0.000 1.185 189 H CB 0.646 30.350 29.762 -0.097 0.000 1.449 189 H HN 0.596 nan 8.280 nan 0.000 0.523 190 A N 2.288 125.102 122.820 -0.010 0.000 1.948 190 A HA -0.242 4.080 4.320 0.003 0.000 0.220 190 A C 2.427 179.827 177.584 -0.306 0.000 1.177 190 A CA 1.764 53.743 52.037 -0.097 0.000 0.636 190 A CB -0.508 18.439 19.000 -0.089 0.000 0.815 190 A HN 0.524 nan 8.150 nan 0.000 0.449 191 R N -0.887 119.458 120.500 -0.258 0.000 2.293 191 R HA 0.007 4.349 4.340 0.003 0.000 0.219 191 R C 1.689 177.875 176.300 -0.191 0.000 1.091 191 R CA 1.558 57.489 56.100 -0.282 0.000 1.004 191 R CB -0.508 29.674 30.300 -0.197 0.000 0.865 191 R HN 0.346 nan 8.270 nan 0.000 0.469 192 S N -0.191 115.457 115.700 -0.086 0.000 2.556 192 S HA 0.111 4.582 4.470 0.003 0.000 0.216 192 S C 1.233 175.850 174.600 0.029 0.000 0.970 192 S CA -0.387 57.815 58.200 0.003 0.000 0.912 192 S CB 0.134 63.388 63.200 0.091 0.000 0.790 192 S HN 0.378 nan 8.310 nan 0.000 0.504 193 L N 0.790 122.015 121.223 0.004 0.000 2.362 193 L HA 0.557 4.899 4.340 0.003 0.000 0.204 193 L C -0.238 176.700 176.870 0.113 0.000 1.060 193 L CA 0.945 55.873 54.840 0.148 0.000 0.827 193 L CB 0.068 42.287 42.059 0.267 0.000 1.027 193 L HN 0.420 nan 8.230 nan 0.000 0.474 194 F N -2.875 116.884 119.950 -0.317 0.000 2.654 194 F HA 0.742 5.271 4.527 0.003 0.000 0.308 194 F C -2.920 172.625 175.800 -0.426 0.000 1.108 194 F CA -2.431 55.101 58.000 -0.780 0.000 0.957 194 F CB 0.055 38.752 39.000 -0.504 0.000 1.309 194 F HN -0.314 nan 8.300 nan 0.000 0.446 195 P HA 0.367 nan 4.420 nan 0.000 0.271 195 P C -0.831 176.395 177.300 -0.125 0.000 1.216 195 P CA -0.156 62.787 63.100 -0.262 0.000 0.776 195 P CB 0.861 32.475 31.700 -0.145 0.000 0.881 196 C N 0.576 119.691 119.300 -0.308 0.000 3.216 196 C HA 0.488 4.950 4.460 0.003 0.000 0.346 196 C C -1.178 173.553 174.990 -0.431 0.000 1.384 196 C CA -1.074 57.784 59.018 -0.266 0.000 1.208 196 C CB 0.004 27.611 27.740 -0.221 0.000 1.483 196 C HN 0.311 nan 8.230 nan 0.000 0.453 197 F N 1.615 121.467 119.950 -0.163 0.000 2.566 197 F HA 0.289 4.817 4.527 0.002 0.000 0.349 197 F C 1.010 176.768 175.800 -0.070 0.000 1.245 197 F CA 0.327 58.273 58.000 -0.090 0.000 1.169 197 F CB -0.045 38.922 39.000 -0.056 0.000 1.470 197 F HN 0.610 nan 8.300 nan 0.000 0.634 198 D N 2.471 122.880 120.400 0.016 0.000 2.688 198 D HA 0.036 4.678 4.640 0.003 0.000 0.228 198 D C -0.086 176.233 176.300 0.031 0.000 1.116 198 D CA 0.344 54.344 54.000 0.001 0.000 1.023 198 D CB 0.046 40.801 40.800 -0.074 0.000 1.100 198 D HN 0.399 nan 8.370 nan 0.000 0.487 199 T N 0.037 114.584 114.554 -0.011 0.000 2.933 199 T HA 0.419 4.770 4.350 0.003 0.000 0.305 199 T C -2.373 172.258 174.700 -0.115 0.000 1.092 199 T CA -1.848 60.174 62.100 -0.130 0.000 1.008 199 T CB 1.907 70.489 68.868 -0.476 0.000 1.102 199 T HN -0.191 nan 8.240 nan 0.000 0.469 200 P HA 0.112 nan 4.420 nan 0.000 0.234 200 P C 1.211 178.433 177.300 -0.129 0.000 1.167 200 P CA 0.466 63.529 63.100 -0.061 0.000 0.763 200 P CB 0.167 31.678 31.700 -0.316 0.000 0.835 201 S N -1.088 114.457 115.700 -0.258 0.000 2.481 201 S HA 0.030 4.501 4.470 0.003 0.000 0.231 201 S C 0.853 175.382 174.600 -0.119 0.000 0.996 201 S CA 0.408 58.478 58.200 -0.216 0.000 0.942 201 S CB -0.216 62.773 63.200 -0.352 0.000 0.768 201 S HN -0.039 nan 8.310 nan 0.000 0.520 202 V N 2.750 122.595 119.914 -0.115 0.000 2.370 202 V HA 0.382 4.504 4.120 0.003 0.000 0.283 202 V C -0.268 175.863 176.094 0.061 0.000 1.023 202 V CA -0.499 61.790 62.300 -0.018 0.000 0.857 202 V CB 1.438 33.253 31.823 -0.013 0.000 0.985 202 V HN 0.118 nan 8.190 nan 0.000 0.443 203 K N 2.855 123.296 120.400 0.069 0.000 2.324 203 K HA 0.736 5.058 4.320 0.003 0.000 0.253 203 K C -0.781 175.891 176.600 0.120 0.000 0.932 203 K CA -0.467 55.889 56.287 0.115 0.000 0.799 203 K CB 2.349 34.903 32.500 0.091 0.000 1.154 203 K HN 0.611 nan 8.250 nan 0.000 0.425 204 S N 1.100 116.913 115.700 0.188 0.000 2.540 204 S HA 0.350 4.821 4.470 0.003 0.000 0.275 204 S C -0.576 174.118 174.600 0.158 0.000 1.123 204 S CA -0.638 57.619 58.200 0.095 0.000 0.907 204 S CB 1.237 64.410 63.200 -0.044 0.000 1.081 204 S HN 0.611 nan 8.310 nan 0.000 0.476 205 T N 1.898 116.504 114.554 0.087 0.000 2.900 205 T HA 0.530 4.882 4.350 0.003 0.000 0.307 205 T C -0.486 174.189 174.700 -0.041 0.000 1.065 205 T CA 0.037 62.239 62.100 0.170 0.000 1.105 205 T CB -0.068 68.943 68.868 0.237 0.000 0.979 205 T HN 0.368 nan 8.240 nan 0.000 0.544 206 F N 0.446 120.412 119.950 0.027 0.000 2.577 206 F HA 0.633 5.161 4.527 0.003 0.000 0.318 206 F C 0.673 176.532 175.800 0.098 0.000 1.065 206 F CA -0.677 57.281 58.000 -0.070 0.000 0.929 206 F CB 2.624 41.688 39.000 0.107 0.000 1.237 206 F HN 0.963 nan 8.300 nan 0.000 0.468 207 T N -0.197 114.465 114.554 0.181 0.000 2.900 207 T HA 0.922 5.274 4.350 0.003 0.000 0.295 207 T C -1.127 173.575 174.700 0.005 0.000 1.044 207 T CA -0.911 61.292 62.100 0.172 0.000 0.995 207 T CB 1.840 70.838 68.868 0.218 0.000 1.072 207 T HN 0.908 nan 8.240 nan 0.000 0.473 208 A N 1.353 124.098 122.820 -0.125 0.000 2.455 208 A HA 0.755 5.076 4.320 0.003 0.000 0.300 208 A C -0.491 177.023 177.584 -0.117 0.000 1.040 208 A CA -0.906 50.984 52.037 -0.246 0.000 0.697 208 A CB 1.684 20.193 19.000 -0.819 0.000 1.265 208 A HN 0.808 nan 8.150 nan 0.000 0.407 209 S N 1.816 117.466 115.700 -0.085 0.000 2.594 209 S HA 0.563 5.035 4.470 0.003 0.000 0.322 209 S C -0.598 174.002 174.600 -0.000 0.000 1.085 209 S CA -0.187 57.981 58.200 -0.054 0.000 1.116 209 S CB 0.298 63.460 63.200 -0.062 0.000 0.979 209 S HN 0.526 nan 8.310 nan 0.000 0.465 210 I N 2.723 123.347 120.570 0.089 0.000 2.362 210 I HA 0.340 4.512 4.170 0.003 0.000 0.289 210 I C 0.215 176.452 176.117 0.199 0.000 0.994 210 I CA -0.423 60.960 61.300 0.138 0.000 1.158 210 I CB 1.436 39.553 38.000 0.194 0.000 1.315 210 I HN 0.548 nan 8.210 nan 0.000 0.451 211 E N 5.851 126.129 120.200 0.130 0.000 2.156 211 E HA 0.543 4.895 4.350 0.003 0.000 0.279 211 E C -1.105 175.595 176.600 0.167 0.000 0.965 211 E CA -0.283 56.207 56.400 0.150 0.000 0.789 211 E CB 1.454 31.195 29.700 0.068 0.000 1.098 211 E HN 0.554 nan 8.360 nan 0.000 0.397 212 S N 4.192 120.046 115.700 0.256 0.000 2.548 212 S HA 0.319 4.791 4.470 0.003 0.000 0.278 212 S C -2.401 172.390 174.600 0.319 0.000 1.150 212 S CA -1.217 57.132 58.200 0.248 0.000 0.907 212 S CB 1.480 64.788 63.200 0.180 0.000 1.108 212 S HN 0.403 nan 8.310 nan 0.000 0.459 213 P HA -0.043 nan 4.420 nan 0.000 0.215 213 P C 0.081 177.529 177.300 0.247 0.000 1.163 213 P CA 1.255 64.519 63.100 0.273 0.000 0.894 213 P CB 0.027 31.905 31.700 0.296 0.000 0.791 214 L N -1.633 119.751 121.223 0.268 0.000 2.416 214 L HA 0.359 4.700 4.340 0.003 0.000 0.262 214 L C -2.147 174.793 176.870 0.117 0.000 1.093 214 L CA -2.680 52.266 54.840 0.176 0.000 0.801 214 L CB 0.056 42.182 42.059 0.112 0.000 1.191 214 L HN -0.279 nan 8.230 nan 0.000 0.459 215 P HA 0.019 nan 4.420 nan 0.000 0.267 215 P C -1.074 175.967 177.300 -0.432 0.000 1.201 215 P CA 0.024 62.971 63.100 -0.255 0.000 0.775 215 P CB 0.581 32.272 31.700 -0.015 0.000 0.854 216 V N 2.639 122.048 119.914 -0.841 0.000 2.680 216 V HA 0.520 4.642 4.120 0.003 0.000 0.309 216 V C 0.159 176.142 176.094 -0.186 0.000 1.052 216 V CA -0.645 61.392 62.300 -0.438 0.000 0.908 216 V CB 2.105 33.712 31.823 -0.359 0.000 1.001 216 V HN 0.423 nan 8.190 nan 0.000 0.431 217 V N 1.793 121.574 119.914 -0.222 0.000 2.914 217 V HA 0.855 4.977 4.120 0.003 0.000 0.314 217 V C -1.182 174.671 176.094 -0.402 0.000 1.084 217 V CA -0.719 61.385 62.300 -0.326 0.000 0.963 217 V CB 1.940 33.458 31.823 -0.508 0.000 1.025 217 V HN 0.748 nan 8.190 nan 0.000 0.432 218 F N 2.312 121.743 119.950 -0.865 0.000 2.629 218 F HA 0.680 5.209 4.527 0.002 0.000 0.316 218 F C 0.670 176.151 175.800 -0.531 0.000 1.081 218 F CA -0.172 57.319 58.000 -0.850 0.000 0.954 218 F CB 2.446 40.472 39.000 -1.623 0.000 1.337 218 F HN 0.716 nan 8.300 nan 0.000 0.474 219 S N 1.790 116.699 115.700 -1.319 0.000 3.864 219 S HA 0.606 5.077 4.470 0.003 0.000 0.202 219 S C 0.015 174.266 174.600 -0.582 0.000 1.402 219 S CA 0.233 57.904 58.200 -0.882 0.000 1.072 219 S CB -1.019 61.623 63.200 -0.930 0.000 1.383 219 S HN 1.155 nan 8.310 nan 0.000 0.458 220 G N 0.538 109.267 108.800 -0.118 0.000 2.554 220 G HA2 0.548 4.510 3.960 0.003 0.000 0.306 220 G HA3 0.548 4.510 3.960 0.003 0.000 0.306 220 G C -1.550 173.513 174.900 0.271 0.000 1.320 220 G CA -1.030 44.212 45.100 0.237 0.000 0.800 220 G HN 0.414 nan 8.290 nan 0.000 0.481 221 I N 1.051 121.820 120.570 0.330 0.000 2.339 221 I HA 0.379 4.551 4.170 0.003 0.000 0.290 221 I C 0.640 176.967 176.117 0.350 0.000 0.994 221 I CA -0.649 60.830 61.300 0.299 0.000 1.191 221 I CB 1.693 39.824 38.000 0.218 0.000 1.343 221 I HN 0.411 nan 8.210 nan 0.000 0.458 222 R N 6.194 126.919 120.500 0.375 0.000 2.489 222 R HA 0.241 4.583 4.340 0.003 0.000 0.287 222 R C -0.374 175.954 176.300 0.047 0.000 1.053 222 R CA -0.349 55.868 56.100 0.196 0.000 1.036 222 R CB 0.451 30.868 30.300 0.195 0.000 0.966 222 R HN 0.419 nan 8.270 nan 0.000 0.432 223 I N 2.963 123.488 120.570 -0.075 0.000 2.764 223 I HA 0.219 4.390 4.170 0.003 0.000 0.294 223 I C 0.768 176.840 176.117 -0.074 0.000 1.045 223 I CA -0.124 61.143 61.300 -0.056 0.000 1.340 223 I CB 0.994 38.948 38.000 -0.076 0.000 1.436 223 I HN 0.668 nan 8.210 nan 0.000 0.567 230 T N 1.917 116.404 114.554 -0.112 0.000 2.962 230 T HA -0.118 4.233 4.350 0.003 0.000 0.270 230 T C 0.895 175.454 174.700 -0.234 0.000 1.088 230 T CA 1.858 63.875 62.100 -0.137 0.000 1.127 230 T CB -0.179 68.651 68.868 -0.064 0.000 0.883 230 T HN 0.448 nan 8.240 nan 0.000 0.493 231 N N 0.574 119.158 118.700 -0.193 0.000 2.480 231 N HA 0.278 5.019 4.740 0.003 0.000 0.281 231 N C -0.699 174.704 175.510 -0.179 0.000 1.381 231 N CA -0.393 52.537 53.050 -0.200 0.000 0.903 231 N CB -0.333 38.232 38.487 0.131 0.000 1.274 231 N HN 0.361 nan 8.380 nan 0.000 0.505 232 I N 0.989 121.344 120.570 -0.359 0.000 2.404 232 I HA 0.330 4.502 4.170 0.003 0.000 0.293 232 I C -0.912 174.948 176.117 -0.428 0.000 0.992 232 I CA -1.034 60.142 61.300 -0.206 0.000 1.149 232 I CB 1.088 39.008 38.000 -0.133 0.000 1.315 232 I HN 0.078 nan 8.210 nan 0.000 0.446 233 Y N 5.271 125.503 120.300 -0.113 0.000 2.328 233 Y HA 0.497 5.048 4.550 0.002 0.000 0.336 233 Y C -0.063 175.499 175.900 -0.563 0.000 0.960 233 Y CA -0.813 57.114 58.100 -0.289 0.000 1.134 233 Y CB 1.364 39.746 38.460 -0.129 0.000 1.166 233 Y HN 0.384 nan 8.280 nan 0.000 0.464 234 R N 3.274 123.417 120.500 -0.595 0.000 2.407 234 R HA 0.687 5.028 4.340 0.003 0.000 0.303 234 R C -1.577 174.218 176.300 -0.841 0.000 0.981 234 R CA -0.633 55.133 56.100 -0.555 0.000 0.905 234 R CB 1.235 31.371 30.300 -0.274 0.000 1.099 234 R HN 0.476 nan 8.270 nan 0.000 0.459 235 F N 0.225 120.108 119.950 -0.112 0.000 2.613 235 F HA 0.357 4.885 4.527 0.002 0.000 0.314 235 F C -0.200 175.583 175.800 -0.028 0.000 1.075 235 F CA -1.036 56.923 58.000 -0.068 0.000 0.945 235 F CB 2.032 40.947 39.000 -0.142 0.000 1.310 235 F HN 0.454 nan 8.300 nan 0.000 0.467 236 E N 0.704 121.072 120.200 0.280 0.000 2.275 236 E HA 0.504 4.856 4.350 0.003 0.000 0.270 236 E C -1.712 175.071 176.600 0.305 0.000 0.882 236 E CA -1.188 55.363 56.400 0.251 0.000 0.758 236 E CB 2.464 32.265 29.700 0.168 0.000 1.195 236 E HN 0.438 nan 8.360 nan 0.000 0.419 237 Q N 2.720 122.728 119.800 0.347 0.000 2.425 237 Q HA 0.260 4.602 4.340 0.003 0.000 0.254 237 Q C -0.557 175.606 176.000 0.272 0.000 1.032 237 Q CA -0.277 55.717 55.803 0.318 0.000 0.798 237 Q CB 1.383 30.324 28.738 0.338 0.000 1.210 237 Q HN 0.632 nan 8.270 nan 0.000 0.491 238 K N 1.670 122.190 120.400 0.199 0.000 2.459 238 K HA 0.158 4.479 4.320 0.003 0.000 0.193 238 K C -0.223 176.426 176.600 0.082 0.000 1.030 238 K CA 0.198 56.564 56.287 0.132 0.000 1.026 238 K CB 0.643 33.191 32.500 0.079 0.000 0.809 238 K HN 0.300 nan 8.250 nan 0.000 0.504 239 V N 3.198 123.172 119.914 0.100 0.000 2.394 239 V HA 0.201 4.322 4.120 0.003 0.000 0.282 239 V C -2.420 173.759 176.094 0.141 0.000 1.031 239 V CA -2.557 59.745 62.300 0.003 0.000 0.881 239 V CB 1.186 32.864 31.823 -0.240 0.000 0.982 239 V HN -0.044 nan 8.190 nan 0.000 0.451 240 P HA 0.287 nan 4.420 nan 0.000 0.268 240 P C -0.551 176.868 177.300 0.197 0.000 1.204 240 P CA 0.211 63.401 63.100 0.150 0.000 0.768 240 P CB 0.360 32.110 31.700 0.084 0.000 0.842 241 I N 0.383 121.099 120.570 0.243 0.000 2.828 241 I HA 0.729 4.900 4.170 0.003 0.000 0.302 241 I C -2.827 173.385 176.117 0.157 0.000 1.101 241 I CA -3.443 57.949 61.300 0.152 0.000 1.031 241 I CB 2.902 40.919 38.000 0.028 0.000 1.231 241 I HN 0.075 nan 8.210 nan 0.000 0.427 242 P HA 0.235 nan 4.420 nan 0.000 0.279 242 P C 0.366 177.686 177.300 0.033 0.000 1.252 242 P CA -0.323 62.824 63.100 0.077 0.000 0.811 242 P CB 1.705 33.450 31.700 0.075 0.000 1.035 243 A N 2.613 125.545 122.820 0.186 0.000 1.940 243 A HA -0.240 4.082 4.320 0.003 0.000 0.219 243 A C 2.040 179.668 177.584 0.074 0.000 1.176 243 A CA 1.970 54.129 52.037 0.202 0.000 0.631 243 A CB -2.080 17.047 19.000 0.211 0.000 0.814 243 A HN 0.740 nan 8.150 nan 0.000 0.446 244 Y N -0.695 119.642 120.300 0.061 0.000 2.465 244 Y HA 0.022 4.574 4.550 0.003 0.000 0.289 244 Y C 1.368 177.235 175.900 -0.056 0.000 1.150 244 Y CA 1.258 59.376 58.100 0.030 0.000 1.293 244 Y CB -0.475 38.074 38.460 0.147 0.000 0.977 244 Y HN 0.162 nan 8.280 nan 0.000 0.556 245 L N 0.805 121.647 121.223 -0.635 0.000 2.592 245 L HA 0.135 4.476 4.340 0.003 0.000 0.227 245 L C 0.410 176.968 176.870 -0.521 0.000 1.127 245 L CA -0.294 54.165 54.840 -0.636 0.000 0.884 245 L CB -0.042 41.585 42.059 -0.720 0.000 1.065 245 L HN 0.142 nan 8.230 nan 0.000 0.457 246 I N 1.444 121.747 120.570 -0.444 0.000 2.668 246 I HA 0.060 4.231 4.170 0.003 0.000 0.285 246 I C 0.816 176.646 176.117 -0.478 0.000 1.168 246 I CA 0.651 61.628 61.300 -0.538 0.000 1.424 246 I CB 0.443 38.226 38.000 -0.362 0.000 1.377 246 I HN -0.023 nan 8.210 nan 0.000 0.560 247 G N 7.383 115.801 108.800 -0.637 0.000 2.566 247 G HA2 0.745 4.707 3.960 0.003 0.000 0.311 247 G HA3 0.745 4.707 3.960 0.003 0.000 0.311 247 G C -0.926 173.814 174.900 -0.265 0.000 1.322 247 G CA -0.410 44.422 45.100 -0.447 0.000 0.969 247 G HN 0.472 nan 8.290 nan 0.000 0.490 248 I N 0.952 121.522 120.570 -0.000 0.000 2.582 248 I HA 0.715 4.886 4.170 0.003 0.000 0.292 248 I C -0.016 176.116 176.117 0.025 0.000 1.066 248 I CA -0.857 60.447 61.300 0.008 0.000 1.053 248 I CB 2.466 40.465 38.000 -0.003 0.000 1.241 248 I HN 0.671 nan 8.210 nan 0.000 0.421 249 A N 3.627 126.374 122.820 -0.121 0.000 2.549 249 A HA 0.886 5.207 4.320 0.003 0.000 0.297 249 A C -1.159 176.250 177.584 -0.290 0.000 1.061 249 A CA -0.566 51.307 52.037 -0.273 0.000 0.690 249 A CB 2.209 20.964 19.000 -0.408 0.000 1.287 249 A HN 0.531 nan 8.150 nan 0.000 0.402 250 S N -0.249 115.239 115.700 -0.353 0.000 2.543 250 S HA 0.832 5.303 4.470 0.003 0.000 0.271 250 S C -0.341 174.254 174.600 -0.009 0.000 1.148 250 S CA 0.490 58.613 58.200 -0.128 0.000 0.914 250 S CB 1.347 64.544 63.200 -0.006 0.000 1.096 250 S HN 2.635 nan 8.310 nan 0.000 0.471 251 G N 2.273 111.146 108.800 0.122 0.000 2.327 251 G HA2 0.262 4.224 3.960 0.003 0.000 0.291 251 G HA3 0.262 4.224 3.960 0.003 0.000 0.291 251 G C -1.915 173.089 174.900 0.173 0.000 1.290 251 G CA -0.739 44.501 45.100 0.234 0.000 0.857 251 G HN 0.614 nan 8.290 nan 0.000 0.520 252 D N 0.550 121.049 120.400 0.165 0.000 2.398 252 D HA 0.425 5.066 4.640 0.003 0.000 0.250 252 D C 0.135 176.506 176.300 0.119 0.000 1.287 252 D CA 0.361 54.430 54.000 0.116 0.000 0.992 252 D CB -0.294 40.564 40.800 0.097 0.000 1.071 252 D HN 0.394 nan 8.370 nan 0.000 0.514 253 L N 2.563 123.854 121.223 0.113 0.000 2.362 253 L HA 0.435 4.777 4.340 0.003 0.000 0.275 253 L C 0.119 177.062 176.870 0.123 0.000 0.998 253 L CA -0.729 54.181 54.840 0.117 0.000 0.820 253 L CB 2.009 44.145 42.059 0.128 0.000 1.270 253 L HN 0.155 nan 8.230 nan 0.000 0.415 254 S N 0.718 116.470 115.700 0.088 0.000 2.664 254 S HA 0.774 5.246 4.470 0.003 0.000 0.304 254 S C -0.481 174.126 174.600 0.011 0.000 1.099 254 S CA -0.726 57.509 58.200 0.058 0.000 1.003 254 S CB 2.038 65.247 63.200 0.015 0.000 1.092 254 S HN 0.684 nan 8.310 nan 0.000 0.525 255 S N -0.241 115.417 115.700 -0.071 0.000 2.549 255 S HA 0.910 5.382 4.470 0.003 0.000 0.280 255 S C -0.962 173.514 174.600 -0.206 0.000 1.109 255 S CA -0.849 57.169 58.200 -0.303 0.000 0.905 255 S CB 1.731 64.612 63.200 -0.531 0.000 1.081 255 S HN 1.143 nan 8.310 nan 0.000 0.477 256 A N 1.785 124.461 122.820 -0.239 0.000 2.574 256 A HA 0.877 5.199 4.320 0.003 0.000 0.297 256 A C -3.390 174.123 177.584 -0.118 0.000 1.062 256 A CA -1.753 50.209 52.037 -0.124 0.000 0.686 256 A CB 1.187 20.150 19.000 -0.063 0.000 1.285 256 A HN 0.591 nan 8.150 nan 0.000 0.403 257 P HA 0.335 nan 4.420 nan 0.000 0.276 257 P C 0.302 177.596 177.300 -0.010 0.000 1.243 257 P CA 0.028 63.106 63.100 -0.037 0.000 0.768 257 P CB 0.280 31.973 31.700 -0.011 0.000 0.856 258 I N 0.422 120.989 120.570 -0.005 0.000 3.936 258 I HA 0.644 4.815 4.170 0.003 0.000 0.330 258 I C 0.413 176.543 176.117 0.023 0.000 1.509 258 I CA -0.345 60.971 61.300 0.027 0.000 1.126 258 I CB 0.155 38.194 38.000 0.065 0.000 1.115 258 I HN 0.402 nan 8.210 nan 0.000 0.424 259 G N 1.834 110.645 108.800 0.018 0.000 2.352 259 G HA2 0.114 4.075 3.960 0.003 0.000 0.302 259 G HA3 0.114 4.075 3.960 0.003 0.000 0.302 259 G C -2.753 172.165 174.900 0.029 0.000 1.370 259 G CA -0.234 44.881 45.100 0.024 0.000 0.918 259 G HN -0.158 nan 8.290 nan 0.000 0.610 260 P HA -0.048 nan 4.420 nan 0.000 0.219 260 P C 0.872 178.205 177.300 0.055 0.000 1.146 260 P CA 1.236 64.361 63.100 0.043 0.000 0.808 260 P CB 0.043 31.769 31.700 0.044 0.000 0.779 261 R N -2.006 118.530 120.500 0.060 0.000 2.637 261 R HA 0.495 4.837 4.340 0.003 0.000 0.446 261 R C -0.525 175.826 176.300 0.085 0.000 1.024 261 R CA -0.340 55.811 56.100 0.085 0.000 1.080 261 R CB 0.128 30.494 30.300 0.109 0.000 1.421 261 R HN -0.180 nan 8.270 nan 0.000 0.593 262 S N 0.309 116.041 115.700 0.054 0.000 2.575 262 S HA 0.547 5.019 4.470 0.003 0.000 0.278 262 S C -0.859 173.734 174.600 -0.011 0.000 1.139 262 S CA -0.594 57.626 58.200 0.033 0.000 0.954 262 S CB 2.375 65.597 63.200 0.038 0.000 1.054 262 S HN 0.177 nan 8.310 nan 0.000 0.483 263 T N 1.628 116.154 114.554 -0.046 0.000 2.893 263 T HA 0.609 4.961 4.350 0.003 0.000 0.293 263 T C -0.993 173.570 174.700 -0.229 0.000 1.027 263 T CA -0.547 61.462 62.100 -0.152 0.000 0.988 263 T CB 1.897 70.648 68.868 -0.195 0.000 1.043 263 T HN 0.436 nan 8.240 nan 0.000 0.461 264 V N 3.342 123.081 119.914 -0.291 0.000 2.581 264 V HA 0.676 4.798 4.120 0.003 0.000 0.303 264 V C -1.773 174.089 176.094 -0.387 0.000 1.041 264 V CA -0.626 61.541 62.300 -0.222 0.000 0.907 264 V CB 1.046 32.854 31.823 -0.026 0.000 0.994 264 V HN 0.863 nan 8.190 nan 0.000 0.442 265 Y N 4.122 124.373 120.300 -0.080 0.000 2.376 265 Y HA 0.759 5.311 4.550 0.003 0.000 0.340 265 Y C 0.381 176.222 175.900 -0.099 0.000 0.965 265 Y CA -0.306 57.748 58.100 -0.077 0.000 1.078 265 Y CB 2.358 40.763 38.460 -0.092 0.000 1.193 265 Y HN 0.727 nan 8.280 nan 0.000 0.452 266 T N 1.096 115.669 114.554 0.032 0.000 2.677 266 T HA 0.207 4.558 4.350 0.003 0.000 0.305 266 T C -1.437 173.211 174.700 -0.087 0.000 1.569 266 T CA -0.882 61.181 62.100 -0.063 0.000 0.984 266 T CB 0.939 69.727 68.868 -0.132 0.000 1.629 266 T HN 0.662 nan 8.240 nan 0.000 0.494 267 E N 1.944 122.042 120.200 -0.170 0.000 2.452 267 E HA 0.105 4.456 4.350 0.003 0.000 0.261 267 E C -1.629 174.837 176.600 -0.225 0.000 0.987 267 E CA -1.243 55.067 56.400 -0.150 0.000 0.926 267 E CB 0.907 30.534 29.700 -0.121 0.000 0.934 267 E HN 0.260 nan 8.360 nan 0.000 0.452 268 P HA -0.235 nan 4.420 nan 0.000 0.216 268 P C 0.979 178.264 177.300 -0.025 0.000 1.154 268 P CA 1.401 64.497 63.100 -0.006 0.000 0.865 268 P CB -0.066 31.680 31.700 0.076 0.000 0.789 269 F N -0.480 119.476 119.950 0.009 0.000 2.171 269 F HA -0.050 4.478 4.527 0.002 0.000 0.300 269 F C 2.244 178.052 175.800 0.013 0.000 1.090 269 F CA 1.093 59.098 58.000 0.009 0.000 1.293 269 F CB -1.117 37.885 39.000 0.004 0.000 1.013 269 F HN -0.279 nan 8.300 nan 0.000 0.486 270 R N 0.476 120.364 120.500 -1.020 0.000 2.200 270 R HA 0.009 4.350 4.340 0.003 0.000 0.208 270 R C 2.121 178.245 176.300 -0.295 0.000 1.033 270 R CA 0.636 56.313 56.100 -0.705 0.000 1.000 270 R CB -0.316 29.390 30.300 -0.990 0.000 0.906 270 R HN 0.450 nan 8.270 nan 0.000 0.462 271 L N 1.754 122.836 121.223 -0.234 0.000 2.021 271 L HA -0.254 4.087 4.340 0.003 0.000 0.215 271 L C 1.667 178.506 176.870 -0.051 0.000 1.074 271 L CA 1.984 56.755 54.840 -0.115 0.000 0.760 271 L CB -0.224 41.788 42.059 -0.078 0.000 0.889 271 L HN 0.008 nan 8.230 nan 0.000 0.433 272 K N -0.815 119.569 120.400 -0.026 0.000 2.097 272 K HA -0.147 4.175 4.320 0.003 0.000 0.206 272 K C 1.737 178.365 176.600 0.046 0.000 1.049 272 K CA 1.431 57.729 56.287 0.018 0.000 0.933 272 K CB -0.243 32.270 32.500 0.022 0.000 0.717 272 K HN 0.390 nan 8.250 nan 0.000 0.442 273 D N 0.246 120.661 120.400 0.024 0.000 2.183 273 D HA -0.084 4.557 4.640 0.003 0.000 0.203 273 D C 1.814 178.116 176.300 0.003 0.000 0.969 273 D CA 0.762 54.790 54.000 0.047 0.000 0.842 273 D CB -0.236 40.593 40.800 0.049 0.000 0.957 273 D HN 0.179 nan 8.370 nan 0.000 0.484 274 C N 0.382 119.649 119.300 -0.056 0.000 2.457 274 C HA -0.065 4.397 4.460 0.003 0.000 0.278 274 C C 2.681 177.660 174.990 -0.018 0.000 1.309 274 C CA 0.329 59.290 59.018 -0.096 0.000 1.735 274 C CB -0.759 26.980 27.740 -0.002 0.000 1.992 274 C HN 0.413 nan 8.230 nan 0.000 0.493 275 Q N -0.552 119.278 119.800 0.050 0.000 2.061 275 Q HA -0.295 4.046 4.340 0.003 0.000 0.204 275 Q C 2.058 178.106 176.000 0.081 0.000 0.984 275 Q CA 2.287 58.138 55.803 0.080 0.000 0.846 275 Q CB -0.331 28.447 28.738 0.068 0.000 0.902 275 Q HN 0.787 nan 8.270 nan 0.000 0.421 276 W N 1.026 122.281 121.300 -0.075 0.000 2.388 276 W HA -0.118 4.544 4.660 0.002 0.000 0.294 276 W C 1.890 178.329 176.519 -0.133 0.000 1.212 276 W CA 1.560 58.862 57.345 -0.073 0.000 1.271 276 W CB -0.002 29.426 29.460 -0.054 0.000 1.126 276 W HN 0.267 nan 8.180 nan 0.000 0.535 277 E N -0.660 119.395 120.200 -0.240 0.000 2.110 277 E HA -0.169 4.182 4.350 0.003 0.000 0.193 277 E C 1.716 177.926 176.600 -0.650 0.000 0.988 277 E CA 1.779 57.823 56.400 -0.593 0.000 0.804 277 E CB -0.525 28.701 29.700 -0.790 0.000 0.745 277 E HN 0.299 nan 8.360 nan 0.000 0.458 278 F N -0.060 119.762 119.950 -0.212 0.000 2.622 278 F HA 0.274 4.803 4.527 0.002 0.000 0.288 278 F C 1.939 177.628 175.800 -0.185 0.000 1.120 278 F CA 0.095 57.980 58.000 -0.191 0.000 1.423 278 F CB -0.350 38.575 39.000 -0.126 0.000 1.127 278 F HN -0.033 nan 8.300 nan 0.000 0.588 279 E N 0.643 120.822 120.200 -0.035 0.000 2.132 279 E HA -0.363 3.989 4.350 0.003 0.000 0.218 279 E C 1.467 178.024 176.600 -0.071 0.000 1.058 279 E CA 2.114 58.480 56.400 -0.057 0.000 0.882 279 E CB -0.381 29.254 29.700 -0.108 0.000 0.774 279 E HN 0.288 nan 8.360 nan 0.000 0.467 280 N N -0.659 117.946 118.700 -0.159 0.000 2.467 280 N HA -0.059 4.683 4.740 0.003 0.000 0.184 280 N C 0.125 175.614 175.510 -0.035 0.000 1.106 280 N CA 0.966 53.947 53.050 -0.116 0.000 0.892 280 N CB 0.412 38.782 38.487 -0.196 0.000 0.969 280 N HN 0.115 nan 8.380 nan 0.000 0.454 281 D N -2.528 117.863 120.400 -0.015 0.000 2.399 281 D HA 0.102 4.744 4.640 0.003 0.000 0.269 281 D C 1.571 177.936 176.300 0.108 0.000 1.105 281 D CA -0.028 54.020 54.000 0.079 0.000 0.844 281 D CB 0.602 41.429 40.800 0.045 0.000 1.372 281 D HN -0.097 nan 8.370 nan 0.000 0.517 282 V N 1.304 121.225 119.914 0.011 0.000 2.252 282 V HA -0.280 3.841 4.120 0.003 0.000 0.249 282 V C 2.393 178.530 176.094 0.071 0.000 1.056 282 V CA 2.078 64.379 62.300 0.002 0.000 1.022 282 V CB -0.335 31.488 31.823 -0.002 0.000 0.641 282 V HN 0.157 nan 8.190 nan 0.000 0.445 283 E N 0.628 120.865 120.200 0.062 0.000 2.072 283 E HA -0.234 4.117 4.350 0.003 0.000 0.191 283 E C 2.217 178.862 176.600 0.076 0.000 0.985 283 E CA 1.757 58.187 56.400 0.050 0.000 0.801 283 E CB -0.381 29.342 29.700 0.038 0.000 0.750 283 E HN 0.566 nan 8.360 nan 0.000 0.452 284 K N -0.881 119.584 120.400 0.109 0.000 2.074 284 K HA -0.203 4.118 4.320 0.003 0.000 0.209 284 K C 1.854 178.497 176.600 0.073 0.000 1.048 284 K CA 1.629 57.968 56.287 0.086 0.000 0.926 284 K CB -0.359 32.199 32.500 0.098 0.000 0.713 284 K HN 0.113 nan 8.250 nan 0.000 0.444 285 F N 1.278 121.196 119.950 -0.054 0.000 2.075 285 F HA -0.121 4.408 4.527 0.002 0.000 0.297 285 F C 2.125 177.873 175.800 -0.087 0.000 1.113 285 F CA 1.355 59.315 58.000 -0.068 0.000 1.218 285 F CB -0.390 38.574 39.000 -0.060 0.000 0.984 285 F HN -0.028 nan 8.300 nan 0.000 0.472 286 I N -0.408 120.201 120.570 0.065 0.000 2.264 286 I HA -0.337 3.835 4.170 0.003 0.000 0.248 286 I C 2.223 178.360 176.117 0.032 0.000 1.111 286 I CA 1.455 62.741 61.300 -0.023 0.000 1.382 286 I CB -0.671 37.236 38.000 -0.155 0.000 1.060 286 I HN 0.254 nan 8.210 nan 0.000 0.418 287 Q N -0.074 119.737 119.800 0.019 0.000 2.172 287 Q HA -0.117 4.224 4.340 0.003 0.000 0.200 287 Q C 2.209 178.191 176.000 -0.029 0.000 0.964 287 Q CA 1.641 57.455 55.803 0.018 0.000 0.855 287 Q CB -0.181 28.567 28.738 0.017 0.000 0.918 287 Q HN 0.475 nan 8.270 nan 0.000 0.444 288 T N 0.881 115.387 114.554 -0.079 0.000 2.833 288 T HA -0.123 4.229 4.350 0.003 0.000 0.269 288 T C 1.865 176.469 174.700 -0.161 0.000 1.054 288 T CA 1.196 63.212 62.100 -0.141 0.000 1.135 288 T CB -0.118 68.604 68.868 -0.244 0.000 0.869 288 T HN 0.376 nan 8.240 nan 0.000 0.466 289 A N 1.413 124.134 122.820 -0.164 0.000 1.930 289 A HA -0.016 4.305 4.320 0.003 0.000 0.215 289 A C 2.155 179.481 177.584 -0.430 0.000 1.176 289 A CA 1.143 52.984 52.037 -0.326 0.000 0.632 289 A CB -0.350 18.478 19.000 -0.287 0.000 0.819 289 A HN 0.518 nan 8.150 nan 0.000 0.445 290 E N -0.310 119.807 120.200 -0.138 0.000 2.150 290 E HA -0.152 4.199 4.350 0.003 0.000 0.193 290 E C 1.992 178.561 176.600 -0.052 0.000 0.985 290 E CA 0.938 57.331 56.400 -0.012 0.000 0.814 290 E CB -0.055 29.755 29.700 0.184 0.000 0.752 290 E HN 0.431 nan 8.360 nan 0.000 0.466 291 K N 1.055 121.420 120.400 -0.059 0.000 2.148 291 K HA -0.099 4.222 4.320 0.003 0.000 0.204 291 K C 1.868 178.433 176.600 -0.058 0.000 1.050 291 K CA 0.814 57.081 56.287 -0.034 0.000 0.942 291 K CB 0.053 32.534 32.500 -0.032 0.000 0.724 291 K HN 0.164 nan 8.250 nan 0.000 0.446 292 I N 0.219 120.710 120.570 -0.131 0.000 2.339 292 I HA -0.182 3.990 4.170 0.003 0.000 0.245 292 I C 1.908 177.920 176.117 -0.176 0.000 1.096 292 I CA 0.643 61.868 61.300 -0.124 0.000 1.408 292 I CB 0.022 37.931 38.000 -0.153 0.000 1.092 292 I HN 0.024 nan 8.210 nan 0.000 0.423 293 I N -0.735 119.596 120.570 -0.398 0.000 5.672 293 I HA 0.147 4.318 4.170 0.003 0.000 0.229 293 I C 0.098 176.060 176.117 -0.259 0.000 0.911 293 I CA 0.177 61.140 61.300 -0.561 0.000 1.682 293 I CB -0.080 37.105 38.000 -1.358 0.000 1.427 293 I HN 0.020 nan 8.210 nan 0.000 0.459 294 F N -1.123 118.730 119.950 -0.161 0.000 2.985 294 F HA 0.477 5.005 4.527 0.002 0.000 0.322 294 F C -0.335 175.633 175.800 0.280 0.000 1.187 294 F CA -1.359 56.682 58.000 0.068 0.000 0.910 294 F CB 0.664 39.714 39.000 0.084 0.000 1.411 294 F HN 0.090 nan 8.300 nan 0.000 0.492 295 E N 0.892 121.467 120.200 0.626 0.000 2.502 295 E HA -0.038 4.313 4.350 0.003 0.000 0.261 295 E C -1.143 175.794 176.600 0.562 0.000 0.974 295 E CA -0.272 56.409 56.400 0.468 0.000 0.936 295 E CB 0.365 30.224 29.700 0.265 0.000 0.926 295 E HN 0.600 nan 8.360 nan 0.000 0.459 296 Y N 3.516 124.028 120.300 0.354 0.000 2.544 296 Y HA 0.005 4.557 4.550 0.003 0.000 0.330 296 Y C 0.891 176.804 175.900 0.021 0.000 1.136 296 Y CA 0.656 58.839 58.100 0.139 0.000 1.417 296 Y CB 0.964 39.509 38.460 0.142 0.000 1.229 296 Y HN 0.805 nan 8.280 nan 0.000 0.532 297 E N 3.323 123.099 120.200 -0.707 0.000 2.307 297 E HA -0.012 4.340 4.350 0.003 0.000 0.195 297 E C 0.483 176.646 176.600 -0.729 0.000 0.975 297 E CA 0.401 56.385 56.400 -0.694 0.000 0.878 297 E CB 0.008 29.163 29.700 -0.910 0.000 0.845 297 E HN 0.853 nan 8.360 nan 0.000 0.488 298 W N 0.152 120.971 121.300 -0.801 0.000 3.345 298 W HA 0.400 5.061 4.660 0.002 0.000 0.282 298 W C 1.353 177.822 176.519 -0.084 0.000 1.302 298 W CA 0.394 57.505 57.345 -0.389 0.000 1.724 298 W CB 0.171 29.404 29.460 -0.377 0.000 1.104 298 W HN 0.251 nan 8.180 nan 0.000 0.694 299 G N 0.654 109.556 108.800 0.170 0.000 5.426 299 G HA2 -0.365 3.596 3.960 0.003 0.000 0.297 299 G HA3 -0.365 3.596 3.960 0.003 0.000 0.297 299 G C 0.539 175.676 174.900 0.395 0.000 1.422 299 G CA 0.888 46.140 45.100 0.253 0.000 0.938 299 G HN 0.434 nan 8.290 nan 0.000 0.754 300 T N -2.123 112.671 114.554 0.400 0.000 2.912 300 T HA 0.626 4.978 4.350 0.003 0.000 0.288 300 T C -0.924 174.026 174.700 0.416 0.000 1.030 300 T CA -0.164 62.141 62.100 0.341 0.000 1.020 300 T CB 2.543 71.539 68.868 0.213 0.000 1.056 300 T HN 1.259 nan 8.240 nan 0.000 0.480 301 Y N 1.853 122.206 120.300 0.089 0.000 2.388 301 Y HA 0.528 5.080 4.550 0.002 0.000 0.328 301 Y C -1.188 174.695 175.900 -0.028 0.000 0.963 301 Y CA -0.955 57.137 58.100 -0.013 0.000 1.240 301 Y CB 0.858 39.158 38.460 -0.266 0.000 1.118 301 Y HN 0.737 nan 8.280 nan 0.000 0.484 302 D N 5.762 125.930 120.400 -0.387 0.000 2.269 302 D HA 0.519 5.160 4.640 0.003 0.000 0.244 302 D C -0.756 175.281 176.300 -0.438 0.000 0.992 302 D CA -0.190 53.662 54.000 -0.247 0.000 0.894 302 D CB 2.340 43.167 40.800 0.044 0.000 1.248 302 D HN 0.512 nan 8.370 nan 0.000 0.468 303 I N 1.377 121.774 120.570 -0.288 0.000 2.465 303 I HA 0.249 4.420 4.170 0.003 0.000 0.291 303 I C -0.895 175.139 176.117 -0.137 0.000 1.014 303 I CA -1.062 60.045 61.300 -0.321 0.000 1.093 303 I CB 2.055 39.738 38.000 -0.528 0.000 1.267 303 I HN 0.032 nan 8.210 nan 0.000 0.431 304 L N 8.280 129.394 121.223 -0.182 0.000 2.262 304 L HA 0.433 4.775 4.340 0.003 0.000 0.288 304 L C -0.596 176.123 176.870 -0.252 0.000 1.035 304 L CA -0.250 54.462 54.840 -0.213 0.000 0.820 304 L CB 1.312 43.089 42.059 -0.470 0.000 1.204 304 L HN 0.331 nan 8.230 nan 0.000 0.424 305 V N 6.180 125.998 119.914 -0.160 0.000 2.299 305 V HA 0.256 4.377 4.120 0.003 0.000 0.255 305 V C 0.630 176.562 176.094 -0.270 0.000 1.100 305 V CA -0.665 61.531 62.300 -0.173 0.000 0.938 305 V CB -0.383 31.409 31.823 -0.052 0.000 1.139 305 V HN 0.770 nan 8.190 nan 0.000 0.490 306 N N 2.246 120.681 118.700 -0.441 0.000 2.273 306 N HA 0.060 4.801 4.740 0.003 0.000 0.227 306 N C 0.410 175.660 175.510 -0.433 0.000 1.292 306 N CA -0.041 52.701 53.050 -0.514 0.000 0.875 306 N CB 1.079 39.051 38.487 -0.858 0.000 1.105 306 N HN 0.556 nan 8.380 nan 0.000 0.434 307 V N -1.127 118.416 119.914 -0.620 0.000 3.178 307 V HA -0.038 4.083 4.120 0.003 0.000 0.306 307 V C 1.282 177.290 176.094 -0.143 0.000 1.107 307 V CA -0.079 61.972 62.300 -0.415 0.000 1.195 307 V CB 0.506 31.968 31.823 -0.603 0.000 0.993 307 V HN 0.523 nan 8.190 nan 0.000 0.493 308 D N 1.862 122.241 120.400 -0.034 0.000 2.182 308 D HA -0.137 4.504 4.640 0.003 0.000 0.201 308 D C 2.235 178.572 176.300 0.062 0.000 0.986 308 D CA 1.972 55.990 54.000 0.030 0.000 0.847 308 D CB 0.035 40.862 40.800 0.045 0.000 0.942 308 D HN 0.949 nan 8.370 nan 0.000 0.467 309 S N -0.380 115.367 115.700 0.078 0.000 2.522 309 S HA -0.148 4.324 4.470 0.003 0.000 0.227 309 S C 0.926 175.607 174.600 0.135 0.000 0.986 309 S CA -0.408 57.878 58.200 0.144 0.000 0.929 309 S CB -0.727 62.582 63.200 0.181 0.000 0.769 309 S HN 0.273 nan 8.310 nan 0.000 0.529 310 Y N 5.356 125.627 120.300 -0.048 0.000 2.846 310 Y HA 0.108 4.659 4.550 0.003 0.000 0.352 310 Y C -1.693 174.079 175.900 -0.213 0.000 1.298 310 Y CA -1.600 56.401 58.100 -0.165 0.000 1.634 310 Y CB 0.627 38.907 38.460 -0.301 0.000 1.214 310 Y HN 0.146 nan 8.280 nan 0.000 0.529 311 P HA -0.010 nan 4.420 nan 0.000 0.257 311 P C -0.767 176.089 177.300 -0.739 0.000 1.241 311 P CA 0.717 63.384 63.100 -0.723 0.000 0.816 311 P CB 0.392 31.530 31.700 -0.936 0.000 1.150 312 Y N -0.365 119.414 120.300 -0.869 0.000 2.612 312 Y HA 0.590 5.142 4.550 0.003 0.000 0.334 312 Y C 2.277 178.050 175.900 -0.212 0.000 1.227 312 Y CA -0.315 57.446 58.100 -0.565 0.000 1.356 312 Y CB -0.442 37.695 38.460 -0.539 0.000 1.534 312 Y HN -0.272 nan 8.280 nan 0.000 0.576 313 G N -1.429 107.467 108.800 0.160 0.000 2.576 313 G HA2 0.445 4.407 3.960 0.003 0.000 0.210 313 G HA3 0.445 4.407 3.960 0.003 0.000 0.210 313 G C 0.175 175.226 174.900 0.253 0.000 1.143 313 G CA 0.482 45.676 45.100 0.157 0.000 0.819 313 G HN 1.015 nan 8.290 nan 0.000 0.534 314 G N -1.174 107.803 108.800 0.295 0.000 2.358 314 G HA2 0.490 4.451 3.960 0.003 0.000 0.301 314 G HA3 0.490 4.451 3.960 0.003 0.000 0.301 314 G C -2.013 173.009 174.900 0.205 0.000 1.539 314 G CA -0.418 44.832 45.100 0.251 0.000 0.893 314 G HN 0.537 nan 8.290 nan 0.000 0.636 315 M N 0.937 120.629 119.600 0.154 0.000 2.365 315 M HA 0.458 4.940 4.480 0.003 0.000 0.287 315 M C -0.070 176.186 176.300 -0.073 0.000 1.154 315 M CA -0.975 54.331 55.300 0.010 0.000 0.941 315 M CB 2.006 34.539 32.600 -0.111 0.000 1.704 315 M HN 0.638 nan 8.290 nan 0.000 0.479 316 E N 1.848 121.970 120.200 -0.130 0.000 2.335 316 E HA 0.188 4.539 4.350 0.003 0.000 0.191 316 E C -0.813 175.630 176.600 -0.262 0.000 1.077 316 E CA -0.083 56.237 56.400 -0.134 0.000 1.010 316 E CB -0.315 29.276 29.700 -0.181 0.000 1.141 316 E HN 0.611 nan 8.360 nan 0.000 0.452 317 S N 3.550 119.028 115.700 -0.370 0.000 2.702 317 S HA 0.009 4.481 4.470 0.003 0.000 0.314 317 S C -2.232 172.113 174.600 -0.425 0.000 1.244 317 S CA -0.456 57.467 58.200 -0.460 0.000 1.058 317 S CB 0.075 62.924 63.200 -0.585 0.000 0.783 317 S HN 0.275 nan 8.310 nan 0.000 0.503 318 P HA 0.053 nan 4.420 nan 0.000 0.262 318 P C 0.420 177.467 177.300 -0.422 0.000 1.182 318 P CA 0.504 63.210 63.100 -0.657 0.000 0.761 318 P CB 0.084 31.365 31.700 -0.700 0.000 0.795 319 N N -0.304 118.200 118.700 -0.327 0.000 2.929 319 N HA -0.250 4.492 4.740 0.003 0.000 0.234 319 N C -0.009 175.390 175.510 -0.186 0.000 0.908 319 N CA 1.290 54.257 53.050 -0.137 0.000 0.993 319 N CB -0.883 37.593 38.487 -0.018 0.000 1.075 319 N HN 0.380 nan 8.380 nan 0.000 0.603 320 M N 0.760 120.210 119.600 -0.251 0.000 2.167 320 M HA 0.223 4.704 4.480 0.003 0.000 0.218 320 M C -1.336 174.908 176.300 -0.093 0.000 0.968 320 M CA -0.045 55.141 55.300 -0.190 0.000 1.004 320 M CB 1.037 33.544 32.600 -0.155 0.000 2.485 320 M HN -0.033 nan 8.290 nan 0.000 0.404 321 T N 4.311 118.734 114.554 -0.219 0.000 2.799 321 T HA 0.366 4.718 4.350 0.003 0.000 0.296 321 T C -0.263 174.493 174.700 0.093 0.000 0.947 321 T CA 0.392 62.431 62.100 -0.101 0.000 1.141 321 T CB -0.191 68.525 68.868 -0.253 0.000 0.891 321 T HN 0.414 nan 8.240 nan 0.000 0.533 322 F N 2.487 122.325 119.950 -0.188 0.000 2.438 322 F HA 0.523 5.051 4.527 0.003 0.000 0.356 322 F C 0.832 176.508 175.800 -0.207 0.000 1.099 322 F CA -0.936 56.936 58.000 -0.213 0.000 1.185 322 F CB 0.714 39.618 39.000 -0.159 0.000 1.115 322 F HN 0.538 nan 8.300 nan 0.000 0.526 323 A N 2.366 125.079 122.820 -0.178 0.000 2.469 323 A HA 0.635 4.956 4.320 0.003 0.000 0.299 323 A C -0.676 176.712 177.584 -0.327 0.000 1.098 323 A CA -0.700 51.251 52.037 -0.143 0.000 0.737 323 A CB 1.830 20.792 19.000 -0.062 0.000 1.312 323 A HN 0.546 nan 8.150 nan 0.000 0.414 324 T N 0.559 115.037 114.554 -0.127 0.000 2.875 324 T HA 0.537 4.889 4.350 0.003 0.000 0.284 324 T C -1.920 172.776 174.700 -0.007 0.000 0.995 324 T CA -1.863 60.191 62.100 -0.077 0.000 1.060 324 T CB 0.956 69.939 68.868 0.192 0.000 0.967 324 T HN 0.304 nan 8.240 nan 0.000 0.476 325 P HA -0.010 nan 4.420 nan 0.000 0.231 325 P C 1.136 178.471 177.300 0.058 0.000 1.158 325 P CA 0.783 63.885 63.100 0.003 0.000 0.763 325 P CB -0.334 31.366 31.700 0.000 0.000 0.805 326 T N -4.166 110.463 114.554 0.125 0.000 3.215 326 T HA 0.086 4.438 4.350 0.003 0.000 0.254 326 T C 1.448 176.240 174.700 0.152 0.000 1.149 326 T CA 0.238 62.453 62.100 0.192 0.000 1.042 326 T CB -0.946 68.152 68.868 0.383 0.000 0.966 326 T HN 0.076 nan 8.240 nan 0.000 0.534 327 L N 0.271 121.551 121.223 0.096 0.000 2.270 327 L HA 0.245 4.587 4.340 0.003 0.000 0.210 327 L C 0.885 177.726 176.870 -0.049 0.000 1.104 327 L CA 0.281 55.158 54.840 0.061 0.000 0.804 327 L CB -0.302 41.829 42.059 0.119 0.000 0.937 327 L HN 0.324 nan 8.230 nan 0.000 0.450 328 I N 1.551 122.065 120.570 -0.093 0.000 2.460 328 I HA -0.018 4.153 4.170 0.003 0.000 0.297 328 I C 1.235 177.229 176.117 -0.205 0.000 1.139 328 I CA 0.370 61.532 61.300 -0.231 0.000 1.340 328 I CB 0.165 38.002 38.000 -0.271 0.000 1.444 328 I HN 0.054 nan 8.210 nan 0.000 0.557 329 A N 5.226 127.970 122.820 -0.127 0.000 2.252 329 A HA 0.094 4.415 4.320 0.003 0.000 0.213 329 A C 1.148 178.804 177.584 0.120 0.000 1.188 329 A CA 0.111 52.157 52.037 0.015 0.000 0.863 329 A CB -0.254 18.777 19.000 0.051 0.000 0.893 329 A HN 0.812 nan 8.150 nan 0.000 0.495 330 H N -0.806 118.347 119.070 0.138 0.000 3.641 330 H HA -0.177 4.380 4.556 0.002 0.000 0.193 330 H C -0.044 175.445 175.328 0.269 0.000 1.013 330 H CA 1.525 57.663 56.048 0.150 0.000 1.212 330 H CB -1.372 28.388 29.762 -0.003 0.000 1.089 330 H HN 0.821 nan 8.280 nan 0.000 0.339 331 D N -0.926 119.698 120.400 0.374 0.000 2.538 331 D HA 0.187 4.828 4.640 0.003 0.000 0.241 331 D C 0.707 177.128 176.300 0.202 0.000 1.297 331 D CA 0.153 54.354 54.000 0.335 0.000 0.804 331 D CB 0.167 41.077 40.800 0.184 0.000 1.122 331 D HN 0.230 nan 8.370 nan 0.000 0.519 332 R N -0.114 120.449 120.500 0.104 0.000 3.878 332 R HA -0.170 4.172 4.340 0.003 0.000 0.330 332 R C 0.904 177.212 176.300 0.013 0.000 1.186 332 R CA 0.995 57.069 56.100 -0.043 0.000 0.885 332 R CB -2.587 27.627 30.300 -0.145 0.000 1.377 332 R HN 0.396 nan 8.270 nan 0.000 0.523 333 S N -1.459 114.267 115.700 0.043 0.000 2.527 333 S HA 0.050 4.521 4.470 0.003 0.000 0.222 333 S C 1.060 175.689 174.600 0.049 0.000 0.985 333 S CA 0.526 58.754 58.200 0.047 0.000 0.921 333 S CB 0.299 63.529 63.200 0.049 0.000 0.772 333 S HN 0.320 nan 8.310 nan 0.000 0.529 334 N N 1.044 119.769 118.700 0.042 0.000 2.282 334 N HA 0.365 5.107 4.740 0.003 0.000 0.240 334 N C 0.955 176.503 175.510 0.063 0.000 1.182 334 N CA -0.032 53.054 53.050 0.060 0.000 0.874 334 N CB 0.228 38.758 38.487 0.071 0.000 1.126 334 N HN 0.717 nan 8.380 nan 0.000 0.516 335 I N -3.657 116.938 120.570 0.042 0.000 3.030 335 I HA 0.151 4.322 4.170 0.003 0.000 0.270 335 I C 0.836 176.961 176.117 0.013 0.000 1.211 335 I CA 0.401 61.704 61.300 0.005 0.000 1.479 335 I CB 0.003 37.946 38.000 -0.096 0.000 1.105 335 I HN -0.260 nan 8.210 nan 0.000 0.447 336 D N 2.126 122.631 120.400 0.176 0.000 2.254 336 D HA -0.164 4.478 4.640 0.003 0.000 0.201 336 D C 2.358 178.823 176.300 0.275 0.000 0.998 336 D CA 1.245 55.456 54.000 0.350 0.000 0.885 336 D CB -0.227 40.743 40.800 0.284 0.000 0.915 336 D HN 0.294 nan 8.370 nan 0.000 0.460 337 V N 0.601 120.617 119.914 0.170 0.000 2.490 337 V HA -0.203 3.919 4.120 0.003 0.000 0.250 337 V C 2.276 178.484 176.094 0.189 0.000 1.061 337 V CA 0.735 63.133 62.300 0.165 0.000 1.064 337 V CB -0.269 31.629 31.823 0.125 0.000 0.670 337 V HN 0.176 nan 8.190 nan 0.000 0.461 338 I N 1.041 121.682 120.570 0.118 0.000 2.567 338 I HA -0.174 3.997 4.170 0.003 0.000 0.257 338 I C 2.350 178.579 176.117 0.187 0.000 1.184 338 I CA 1.248 62.603 61.300 0.093 0.000 1.451 338 I CB -0.681 37.274 38.000 -0.075 0.000 1.089 338 I HN 0.199 nan 8.210 nan 0.000 0.441 339 A N -0.577 122.422 122.820 0.298 0.000 1.948 339 A HA -0.341 3.981 4.320 0.003 0.000 0.220 339 A C 2.263 180.000 177.584 0.254 0.000 1.177 339 A CA 2.204 54.452 52.037 0.351 0.000 0.636 339 A CB -1.130 18.095 19.000 0.375 0.000 0.815 339 A HN 0.661 nan 8.150 nan 0.000 0.449 340 H N -0.501 118.685 119.070 0.194 0.000 2.270 340 H HA -0.125 4.432 4.556 0.002 0.000 0.299 340 H C 2.001 177.486 175.328 0.261 0.000 1.077 340 H CA 2.257 58.421 56.048 0.194 0.000 1.294 340 H CB -0.058 29.831 29.762 0.212 0.000 1.371 340 H HN 0.466 nan 8.280 nan 0.000 0.491 341 E N -0.110 120.363 120.200 0.455 0.000 2.150 341 E HA -0.079 4.272 4.350 0.003 0.000 0.193 341 E C 2.131 178.943 176.600 0.354 0.000 0.985 341 E CA 0.782 57.452 56.400 0.451 0.000 0.814 341 E CB -0.212 29.707 29.700 0.365 0.000 0.752 341 E HN 0.410 nan 8.360 nan 0.000 0.466 342 L N 0.574 121.949 121.223 0.252 0.000 1.994 342 L HA -0.146 4.196 4.340 0.003 0.000 0.208 342 L C 2.102 179.109 176.870 0.228 0.000 1.071 342 L CA 2.194 57.068 54.840 0.055 0.000 0.745 342 L CB -0.911 41.074 42.059 -0.123 0.000 0.892 342 L HN 0.113 nan 8.230 nan 0.000 0.431 343 A N -1.217 121.719 122.820 0.194 0.000 1.903 343 A HA -0.326 3.996 4.320 0.003 0.000 0.219 343 A C 2.249 179.974 177.584 0.235 0.000 1.191 343 A CA 2.021 54.174 52.037 0.193 0.000 0.638 343 A CB -1.273 17.728 19.000 0.002 0.000 0.823 343 A HN 0.730 nan 8.150 nan 0.000 0.451 344 H N -0.072 119.072 119.070 0.122 0.000 2.437 344 H HA -0.129 4.428 4.556 0.002 0.000 0.296 344 H C 2.486 177.879 175.328 0.108 0.000 1.121 344 H CA 1.517 57.629 56.048 0.107 0.000 1.255 344 H CB -0.379 29.427 29.762 0.073 0.000 1.366 344 H HN 0.495 nan 8.280 nan 0.000 0.512 345 S N -0.509 115.312 115.700 0.201 0.000 2.407 345 S HA -0.199 4.272 4.470 0.003 0.000 0.235 345 S C 1.857 176.477 174.600 0.033 0.000 1.036 345 S CA 1.165 59.351 58.200 -0.023 0.000 1.013 345 S CB -0.092 63.013 63.200 -0.159 0.000 0.820 345 S HN 0.545 nan 8.310 nan 0.000 0.476 346 W N 0.910 122.254 121.300 0.073 0.000 2.783 346 W HA 0.217 4.878 4.660 0.002 0.000 0.287 346 W C 0.924 177.486 176.519 0.071 0.000 1.085 346 W CA 0.136 57.413 57.345 -0.113 0.000 1.646 346 W CB -1.076 27.976 29.460 -0.681 0.000 1.135 346 W HN 0.159 nan 8.180 nan 0.000 0.548 347 S N 0.669 116.564 115.700 0.326 0.000 2.485 347 S HA 0.562 5.033 4.470 0.003 0.000 0.312 347 S C 0.579 175.378 174.600 0.332 0.000 1.102 347 S CA 0.411 58.849 58.200 0.397 0.000 1.066 347 S CB 0.659 64.083 63.200 0.373 0.000 1.102 347 S HN 0.494 nan 8.310 nan 0.000 0.519 348 G N 4.002 112.989 108.800 0.311 0.000 3.131 348 G HA2 -0.259 3.702 3.960 0.003 0.000 0.198 348 G HA3 -0.259 3.702 3.960 0.003 0.000 0.198 348 G C 0.821 175.870 174.900 0.248 0.000 1.435 348 G CA -0.002 45.293 45.100 0.325 0.000 1.016 348 G HN 0.542 nan 8.290 nan 0.000 0.499 349 N N 0.524 119.353 118.700 0.215 0.000 2.220 349 N HA 0.177 4.918 4.740 0.003 0.000 0.182 349 N C 2.072 177.799 175.510 0.361 0.000 1.023 349 N CA 1.382 54.521 53.050 0.147 0.000 0.856 349 N CB -0.362 38.056 38.487 -0.116 0.000 0.997 349 N HN 0.391 nan 8.380 nan 0.000 0.429 350 L N 0.371 121.837 121.223 0.405 0.000 2.068 350 L HA 0.135 4.476 4.340 0.003 0.000 0.204 350 L C 0.027 177.001 176.870 0.174 0.000 1.076 350 L CA 0.971 55.969 54.840 0.263 0.000 0.753 350 L CB 0.129 42.287 42.059 0.165 0.000 0.910 350 L HN -0.158 nan 8.230 nan 0.000 0.439 351 V N 0.352 120.387 119.914 0.201 0.000 2.350 351 V HA 0.360 4.482 4.120 0.003 0.000 0.285 351 V C -0.433 175.686 176.094 0.043 0.000 1.014 351 V CA -0.562 61.779 62.300 0.067 0.000 0.831 351 V CB 1.073 32.859 31.823 -0.061 0.000 1.000 351 V HN 0.218 nan 8.190 nan 0.000 0.433 352 T N 4.745 119.300 114.554 0.002 0.000 2.855 352 T HA 0.347 4.698 4.350 0.003 0.000 0.281 352 T C 0.090 174.738 174.700 -0.086 0.000 1.007 352 T CA -0.741 61.373 62.100 0.023 0.000 1.009 352 T CB 0.990 69.900 68.868 0.071 0.000 0.983 352 T HN 0.770 nan 8.240 nan 0.000 0.455 353 N N 1.163 119.803 118.700 -0.101 0.000 2.412 353 N HA -0.043 4.699 4.740 0.003 0.000 0.254 353 N C 1.522 176.890 175.510 -0.237 0.000 1.232 353 N CA -0.301 52.642 53.050 -0.178 0.000 0.880 353 N CB 0.457 38.855 38.487 -0.150 0.000 1.076 353 N HN 0.915 nan 8.380 nan 0.000 0.458 354 C N 0.292 119.464 119.300 -0.213 0.000 2.481 354 C HA 0.158 4.620 4.460 0.003 0.000 0.275 354 C C 1.122 175.939 174.990 -0.289 0.000 1.419 354 C CA 0.192 59.084 59.018 -0.209 0.000 1.773 354 C CB -1.666 25.990 27.740 -0.141 0.000 1.862 354 C HN 0.883 nan 8.230 nan 0.000 0.530 355 S N -2.399 113.108 115.700 -0.323 0.000 2.661 355 S HA 0.459 4.931 4.470 0.003 0.000 0.268 355 S C -0.709 173.569 174.600 -0.537 0.000 1.162 355 S CA -0.636 57.293 58.200 -0.453 0.000 0.817 355 S CB -0.430 62.728 63.200 -0.071 0.000 1.141 355 S HN 0.463 nan 8.310 nan 0.000 0.477 356 W N 1.034 122.355 121.300 0.036 0.000 3.139 356 W HA 0.300 4.961 4.660 0.002 0.000 0.260 356 W C 1.547 178.091 176.519 0.043 0.000 1.312 356 W CA -0.242 57.103 57.345 -0.001 0.000 1.606 356 W CB -0.281 29.106 29.460 -0.122 0.000 1.118 356 W HN 0.584 nan 8.180 nan 0.000 0.675 357 N N -0.207 118.566 118.700 0.121 0.000 2.443 357 N HA -0.124 4.618 4.740 0.003 0.000 0.184 357 N C 0.739 176.084 175.510 -0.275 0.000 1.037 357 N CA 1.158 54.153 53.050 -0.093 0.000 0.896 357 N CB -0.383 37.956 38.487 -0.247 0.000 0.959 357 N HN 0.344 nan 8.380 nan 0.000 0.442 358 H N -1.790 117.388 119.070 0.180 0.000 2.510 358 H HA 0.115 4.672 4.556 0.003 0.000 0.266 358 H C 0.605 175.959 175.328 0.044 0.000 1.146 358 H CA -0.497 55.613 56.048 0.102 0.000 0.993 358 H CB -0.217 29.524 29.762 -0.035 0.000 1.727 358 H HN 0.062 nan 8.280 nan 0.000 0.590 359 F N 2.322 122.338 119.950 0.110 0.000 2.250 359 F HA -0.217 4.311 4.527 0.003 0.000 0.301 359 F C 2.327 178.187 175.800 0.100 0.000 1.077 359 F CA 1.071 59.148 58.000 0.129 0.000 1.348 359 F CB -0.168 38.999 39.000 0.277 0.000 1.040 359 F HN 0.398 nan 8.300 nan 0.000 0.509 360 W N 0.424 121.742 121.300 0.031 0.000 2.350 360 W HA -0.205 4.456 4.660 0.003 0.000 0.289 360 W C 1.512 177.958 176.519 -0.122 0.000 1.215 360 W CA 0.897 58.177 57.345 -0.108 0.000 1.236 360 W CB -1.526 27.901 29.460 -0.055 0.000 1.130 360 W HN 0.076 nan 8.180 nan 0.000 0.541 361 L N 1.172 121.794 121.223 -1.002 0.000 2.261 361 L HA -0.249 4.092 4.340 0.003 0.000 0.216 361 L C 2.738 179.498 176.870 -0.183 0.000 1.114 361 L CA 1.566 55.906 54.840 -0.833 0.000 0.777 361 L CB -0.883 40.739 42.059 -0.729 0.000 0.910 361 L HN 0.175 nan 8.230 nan 0.000 0.440 362 N N -0.500 118.069 118.700 -0.218 0.000 2.349 362 N HA -0.110 4.632 4.740 0.003 0.000 0.202 362 N C 1.660 177.085 175.510 -0.142 0.000 1.041 362 N CA 0.725 53.712 53.050 -0.105 0.000 0.970 362 N CB 0.189 38.568 38.487 -0.180 0.000 1.173 362 N HN 0.121 nan 8.380 nan 0.000 0.493 363 E N 0.584 120.501 120.200 -0.471 0.000 2.077 363 E HA -0.074 4.277 4.350 0.003 0.000 0.193 363 E C 1.849 178.326 176.600 -0.204 0.000 0.989 363 E CA 0.909 57.020 56.400 -0.481 0.000 0.800 363 E CB -0.752 28.261 29.700 -1.146 0.000 0.746 363 E HN 0.521 nan 8.360 nan 0.000 0.452 364 G N 0.044 108.796 108.800 -0.081 0.000 2.469 364 G HA2 -0.261 3.700 3.960 0.003 0.000 0.219 364 G HA3 -0.261 3.700 3.960 0.003 0.000 0.219 364 G C 1.418 176.437 174.900 0.197 0.000 1.150 364 G CA 0.726 45.918 45.100 0.153 0.000 0.763 364 G HN 0.285 nan 8.290 nan 0.000 0.561 365 W N 0.948 122.296 121.300 0.079 0.000 2.388 365 W HA 0.020 4.682 4.660 0.002 0.000 0.294 365 W C 3.085 179.713 176.519 0.181 0.000 1.212 365 W CA 1.486 58.926 57.345 0.158 0.000 1.271 365 W CB -0.207 29.327 29.460 0.122 0.000 1.126 365 W HN 0.087 nan 8.180 nan 0.000 0.535 366 T N 0.069 114.752 114.554 0.215 0.000 2.708 366 T HA -0.213 4.139 4.350 0.003 0.000 0.266 366 T C 1.816 176.536 174.700 0.033 0.000 1.037 366 T CA 1.761 63.810 62.100 -0.084 0.000 1.146 366 T CB -0.869 67.572 68.868 -0.710 0.000 0.865 366 T HN -0.126 nan 8.240 nan 0.000 0.435 367 V N 0.695 120.706 119.914 0.162 0.000 2.324 367 V HA -0.228 3.894 4.120 0.003 0.000 0.250 367 V C 2.018 178.300 176.094 0.314 0.000 1.060 367 V CA 1.877 64.322 62.300 0.241 0.000 1.042 367 V CB -0.801 31.183 31.823 0.267 0.000 0.650 367 V HN 0.520 nan 8.190 nan 0.000 0.450 368 Y N 0.475 121.039 120.300 0.440 0.000 2.097 368 Y HA -0.250 4.302 4.550 0.003 0.000 0.282 368 Y C 2.266 178.380 175.900 0.357 0.000 1.152 368 Y CA 1.910 60.333 58.100 0.539 0.000 1.136 368 Y CB -0.258 38.398 38.460 0.327 0.000 0.975 368 Y HN 0.131 nan 8.280 nan 0.000 0.498 369 L N 0.116 121.578 121.223 0.398 0.000 2.046 369 L HA -0.205 4.136 4.340 0.003 0.000 0.208 369 L C 2.566 179.451 176.870 0.025 0.000 1.077 369 L CA 1.785 56.735 54.840 0.182 0.000 0.747 369 L CB -0.772 41.386 42.059 0.164 0.000 0.896 369 L HN 0.350 nan 8.230 nan 0.000 0.432 370 E N 0.833 121.065 120.200 0.054 0.000 2.048 370 E HA -0.292 4.059 4.350 0.003 0.000 0.202 370 E C 2.316 178.927 176.600 0.018 0.000 1.021 370 E CA 1.749 58.181 56.400 0.052 0.000 0.825 370 E CB 0.005 29.767 29.700 0.104 0.000 0.756 370 E HN 0.373 nan 8.360 nan 0.000 0.454 371 R N -0.346 120.148 120.500 -0.011 0.000 2.189 371 R HA -0.024 4.317 4.340 0.003 0.000 0.223 371 R C 2.455 178.717 176.300 -0.063 0.000 1.092 371 R CA 0.655 56.726 56.100 -0.049 0.000 0.989 371 R CB -0.036 30.202 30.300 -0.102 0.000 0.876 371 R HN 0.076 nan 8.270 nan 0.000 0.457 372 R N 0.557 120.981 120.500 -0.128 0.000 2.090 372 R HA -0.008 4.333 4.340 0.003 0.000 0.228 372 R C 2.107 178.353 176.300 -0.090 0.000 1.110 372 R CA 1.093 57.119 56.100 -0.122 0.000 0.973 372 R CB -0.331 29.877 30.300 -0.153 0.000 0.869 372 R HN 0.291 nan 8.270 nan 0.000 0.440 373 I N 1.282 121.790 120.570 -0.104 0.000 2.286 373 I HA -0.207 3.965 4.170 0.003 0.000 0.245 373 I C 2.360 178.359 176.117 -0.197 0.000 1.104 373 I CA 1.029 62.228 61.300 -0.168 0.000 1.397 373 I CB -0.317 37.581 38.000 -0.171 0.000 1.072 373 I HN 0.072 nan 8.210 nan 0.000 0.417 374 I N -1.187 119.328 120.570 -0.092 0.000 2.676 374 I HA 0.001 4.173 4.170 0.003 0.000 0.259 374 I C 2.298 178.422 176.117 0.012 0.000 1.194 374 I CA 1.426 62.716 61.300 -0.017 0.000 1.473 374 I CB -1.057 37.031 38.000 0.147 0.000 1.096 374 I HN 0.112 nan 8.210 nan 0.000 0.443 375 G N 1.261 110.061 108.800 -0.000 0.000 2.402 375 G HA2 -0.115 3.847 3.960 0.003 0.000 0.216 375 G HA3 -0.115 3.847 3.960 0.003 0.000 0.216 375 G C 1.804 176.694 174.900 -0.018 0.000 1.162 375 G CA 0.781 45.899 45.100 0.031 0.000 0.777 375 G HN 0.552 nan 8.290 nan 0.000 0.539 376 A N 0.321 123.096 122.820 -0.075 0.000 2.019 376 A HA 0.134 4.455 4.320 0.003 0.000 0.219 376 A C 2.323 179.815 177.584 -0.154 0.000 1.164 376 A CA 1.120 53.097 52.037 -0.099 0.000 0.644 376 A CB -0.221 18.706 19.000 -0.123 0.000 0.805 376 A HN 0.406 nan 8.150 nan 0.000 0.449 377 I N -2.350 118.067 120.570 -0.254 0.000 2.628 377 I HA -0.013 4.159 4.170 0.003 0.000 0.255 377 I C 1.730 177.599 176.117 -0.413 0.000 1.119 377 I CA 0.654 61.707 61.300 -0.411 0.000 1.448 377 I CB -0.142 37.451 38.000 -0.678 0.000 1.133 377 I HN 0.327 nan 8.210 nan 0.000 0.438 378 H N 0.463 119.509 119.070 -0.039 0.000 2.652 378 H HA 0.394 4.951 4.556 0.002 0.000 0.274 378 H C 0.862 176.187 175.328 -0.006 0.000 1.021 378 H CA 0.799 56.840 56.048 -0.011 0.000 1.187 378 H CB 0.787 30.553 29.762 0.006 0.000 1.505 378 H HN 0.340 nan 8.280 nan 0.000 0.530 379 G N 1.230 110.073 108.800 0.072 0.000 2.592 379 G HA2 -0.238 3.724 3.960 0.003 0.000 0.684 379 G HA3 -0.238 3.724 3.960 0.003 0.000 0.684 379 G C 0.358 175.303 174.900 0.074 0.000 1.291 379 G CA 0.068 45.201 45.100 0.055 0.000 0.891 379 G HN 0.227 nan 8.290 nan 0.000 0.544 380 E N 0.073 120.308 120.200 0.058 0.000 2.086 380 E HA 0.142 4.494 4.350 0.003 0.000 0.190 380 E C 0.011 176.660 176.600 0.081 0.000 0.975 380 E CA 1.594 58.048 56.400 0.090 0.000 0.813 380 E CB -0.412 29.313 29.700 0.043 0.000 0.768 380 E HN 0.292 nan 8.360 nan 0.000 0.457 381 P HA -0.108 nan 4.420 nan 0.000 0.219 381 P C 0.958 178.309 177.300 0.084 0.000 1.146 381 P CA 1.539 64.639 63.100 0.001 0.000 0.808 381 P CB -0.017 31.661 31.700 -0.036 0.000 0.779 382 T N -1.145 113.463 114.554 0.089 0.000 2.857 382 T HA -0.096 4.255 4.350 0.003 0.000 0.266 382 T C 1.876 176.663 174.700 0.144 0.000 1.048 382 T CA 0.910 63.080 62.100 0.116 0.000 1.139 382 T CB -0.334 68.598 68.868 0.108 0.000 0.874 382 T HN 0.129 nan 8.240 nan 0.000 0.455 383 R N 0.344 120.937 120.500 0.155 0.000 2.062 383 R HA -0.097 4.244 4.340 0.003 0.000 0.231 383 R C 2.275 178.597 176.300 0.037 0.000 1.136 383 R CA 1.509 57.673 56.100 0.108 0.000 0.948 383 R CB -0.343 30.057 30.300 0.166 0.000 0.845 383 R HN 0.553 nan 8.270 nan 0.000 0.430 384 H N -0.965 118.094 119.070 -0.019 0.000 2.422 384 H HA -0.184 4.373 4.556 0.003 0.000 0.298 384 H C 1.952 177.174 175.328 -0.176 0.000 1.098 384 H CA 1.506 57.486 56.048 -0.113 0.000 1.315 384 H CB -0.161 29.651 29.762 0.084 0.000 1.382 384 H HN 0.241 nan 8.280 nan 0.000 0.523 385 F N 2.041 121.939 119.950 -0.087 0.000 2.051 385 F HA -0.235 4.293 4.527 0.002 0.000 0.296 385 F C 2.575 178.241 175.800 -0.223 0.000 1.122 385 F CA 1.377 59.285 58.000 -0.153 0.000 1.201 385 F CB -0.675 38.243 39.000 -0.136 0.000 0.978 385 F HN -0.078 nan 8.300 nan 0.000 0.472 386 S N 0.809 116.329 115.700 -0.301 0.000 2.381 386 S HA -0.328 4.144 4.470 0.003 0.000 0.230 386 S C 2.327 176.604 174.600 -0.539 0.000 1.052 386 S CA 1.556 59.502 58.200 -0.424 0.000 1.068 386 S CB -1.242 61.793 63.200 -0.274 0.000 0.918 386 S HN 0.591 nan 8.310 nan 0.000 0.448 387 A N 1.462 123.881 122.820 -0.667 0.000 1.873 387 A HA -0.112 4.209 4.320 0.003 0.000 0.218 387 A C 2.188 179.287 177.584 -0.808 0.000 1.193 387 A CA 1.615 53.069 52.037 -0.973 0.000 0.629 387 A CB -0.990 17.044 19.000 -1.611 0.000 0.826 387 A HN 0.442 nan 8.150 nan 0.000 0.447 388 L N -0.749 120.024 121.223 -0.751 0.000 1.997 388 L HA -0.260 4.082 4.340 0.003 0.000 0.216 388 L C 2.596 179.401 176.870 -0.108 0.000 1.074 388 L CA 1.835 56.513 54.840 -0.270 0.000 0.763 388 L CB -0.425 41.574 42.059 -0.100 0.000 0.890 388 L HN 0.452 nan 8.230 nan 0.000 0.434 389 I N -0.774 119.614 120.570 -0.305 0.000 2.179 389 I HA -0.245 3.927 4.170 0.003 0.000 0.242 389 I C 2.565 178.591 176.117 -0.150 0.000 1.088 389 I CA 1.456 62.601 61.300 -0.258 0.000 1.357 389 I CB -0.818 36.906 38.000 -0.460 0.000 1.051 389 I HN 0.317 nan 8.210 nan 0.000 0.409 390 G N 0.214 108.892 108.800 -0.203 0.000 2.442 390 G HA2 -0.291 3.670 3.960 0.003 0.000 0.219 390 G HA3 -0.291 3.670 3.960 0.003 0.000 0.219 390 G C 1.538 176.449 174.900 0.017 0.000 1.141 390 G CA 0.348 45.368 45.100 -0.133 0.000 0.763 390 G HN 0.543 nan 8.290 nan 0.000 0.554 391 W N 1.438 122.686 121.300 -0.087 0.000 2.381 391 W HA -0.115 4.547 4.660 0.002 0.000 0.301 391 W C 2.429 178.954 176.519 0.010 0.000 1.205 391 W CA 1.473 58.833 57.345 0.026 0.000 1.285 391 W CB -0.328 29.211 29.460 0.131 0.000 1.133 391 W HN 0.283 nan 8.180 nan 0.000 0.521 392 S N 1.084 116.852 115.700 0.114 0.000 2.351 392 S HA -0.222 4.249 4.470 0.003 0.000 0.220 392 S C 1.221 175.775 174.600 -0.077 0.000 1.035 392 S CA 1.956 60.169 58.200 0.020 0.000 1.031 392 S CB -0.774 62.469 63.200 0.071 0.000 0.928 392 S HN 0.205 nan 8.310 nan 0.000 0.433 393 D N 1.277 121.632 120.400 -0.074 0.000 2.133 393 D HA -0.134 4.507 4.640 0.003 0.000 0.192 393 D C 1.883 178.101 176.300 -0.137 0.000 1.001 393 D CA 0.806 54.747 54.000 -0.100 0.000 0.844 393 D CB -0.596 40.138 40.800 -0.110 0.000 0.944 393 D HN 0.219 nan 8.370 nan 0.000 0.447 394 L N 0.813 121.930 121.223 -0.177 0.000 2.012 394 L HA -0.209 4.132 4.340 0.003 0.000 0.210 394 L C 2.269 178.966 176.870 -0.289 0.000 1.073 394 L CA 1.824 56.523 54.840 -0.235 0.000 0.748 394 L CB -0.905 40.973 42.059 -0.302 0.000 0.891 394 L HN -0.089 nan 8.230 nan 0.000 0.431 395 Q N -0.502 119.077 119.800 -0.369 0.000 2.170 395 Q HA -0.187 4.154 4.340 0.003 0.000 0.203 395 Q C 1.907 177.810 176.000 -0.162 0.000 0.976 395 Q CA 1.909 57.531 55.803 -0.301 0.000 0.858 395 Q CB -0.182 28.384 28.738 -0.286 0.000 0.907 395 Q HN 0.589 nan 8.270 nan 0.000 0.433 396 N N -0.748 117.877 118.700 -0.125 0.000 2.171 396 N HA -0.088 4.653 4.740 0.003 0.000 0.184 396 N C 1.636 177.101 175.510 -0.074 0.000 1.021 396 N CA 1.206 54.211 53.050 -0.075 0.000 0.854 396 N CB -0.699 37.757 38.487 -0.051 0.000 0.994 396 N HN 0.161 nan 8.380 nan 0.000 0.426 397 S N 0.914 116.557 115.700 -0.095 0.000 2.353 397 S HA 0.005 4.477 4.470 0.003 0.000 0.222 397 S C 1.949 176.508 174.600 -0.069 0.000 1.035 397 S CA 0.836 58.985 58.200 -0.086 0.000 1.025 397 S CB -0.262 62.873 63.200 -0.108 0.000 0.902 397 S HN 0.211 nan 8.310 nan 0.000 0.440 398 I N 1.198 121.715 120.570 -0.088 0.000 2.394 398 I HA -0.133 4.038 4.170 0.003 0.000 0.251 398 I C 1.727 177.813 176.117 -0.051 0.000 1.136 398 I CA 1.087 62.346 61.300 -0.069 0.000 1.425 398 I CB -0.395 37.543 38.000 -0.104 0.000 1.079 398 I HN 0.247 nan 8.210 nan 0.000 0.425 399 D N 0.305 120.670 120.400 -0.059 0.000 2.264 399 D HA -0.081 4.561 4.640 0.003 0.000 0.208 399 D C 2.005 178.293 176.300 -0.020 0.000 0.966 399 D CA 0.980 54.957 54.000 -0.038 0.000 0.864 399 D CB 0.121 40.898 40.800 -0.040 0.000 0.933 399 D HN 0.150 nan 8.370 nan 0.000 0.499 400 S N -0.516 115.171 115.700 -0.021 0.000 2.540 400 S HA 0.203 4.675 4.470 0.003 0.000 0.218 400 S C 0.863 175.464 174.600 0.001 0.000 0.977 400 S CA -0.260 57.934 58.200 -0.009 0.000 0.918 400 S CB 0.567 63.759 63.200 -0.014 0.000 0.806 400 S HN 0.173 nan 8.310 nan 0.000 0.496 401 M N 2.113 121.717 119.600 0.008 0.000 2.243 401 M HA 0.177 4.658 4.480 0.003 0.000 0.341 401 M C -0.074 176.255 176.300 0.048 0.000 1.130 401 M CA 0.239 55.559 55.300 0.033 0.000 1.162 401 M CB 0.502 33.141 32.600 0.064 0.000 1.497 401 M HN -0.089 nan 8.290 nan 0.000 0.456 402 K N 1.712 122.151 120.400 0.064 0.000 2.322 402 K HA 0.062 4.384 4.320 0.003 0.000 0.283 402 K C -0.334 176.355 176.600 0.148 0.000 1.042 402 K CA -0.290 56.047 56.287 0.083 0.000 0.958 402 K CB 0.322 32.871 32.500 0.081 0.000 0.984 402 K HN 0.604 nan 8.250 nan 0.000 0.473 403 D N 2.219 122.684 120.400 0.108 0.000 2.848 403 D HA -0.076 4.566 4.640 0.003 0.000 0.245 403 D C -1.960 174.410 176.300 0.118 0.000 1.122 403 D CA -0.095 53.966 54.000 0.101 0.000 0.769 403 D CB -0.248 40.636 40.800 0.141 0.000 1.025 403 D HN 0.336 nan 8.370 nan 0.000 0.423 404 P HA -0.074 nan 4.420 nan 0.000 0.219 404 P C 1.334 178.638 177.300 0.007 0.000 1.150 404 P CA 0.849 63.981 63.100 0.053 0.000 0.814 404 P CB 0.248 31.958 31.700 0.018 0.000 0.787 405 E N -0.378 119.810 120.200 -0.021 0.000 2.219 405 E HA -0.220 4.131 4.350 0.003 0.000 0.198 405 E C 2.149 178.700 176.600 -0.081 0.000 0.998 405 E CA 1.179 57.552 56.400 -0.044 0.000 0.818 405 E CB -0.141 29.532 29.700 -0.045 0.000 0.741 405 E HN 0.062 nan 8.360 nan 0.000 0.477 406 R N -1.742 118.663 120.500 -0.158 0.000 2.164 406 R HA 0.116 4.458 4.340 0.003 0.000 0.198 406 R C 1.391 177.505 176.300 -0.311 0.000 1.028 406 R CA 0.364 56.273 56.100 -0.319 0.000 1.083 406 R CB -0.109 29.828 30.300 -0.606 0.000 1.026 406 R HN 0.162 nan 8.270 nan 0.000 0.514 407 F N 0.886 120.847 119.950 0.018 0.000 2.797 407 F HA 0.099 4.628 4.527 0.003 0.000 0.302 407 F C 1.875 177.680 175.800 0.008 0.000 1.130 407 F CA 0.370 58.381 58.000 0.019 0.000 1.387 407 F CB 0.759 39.768 39.000 0.015 0.000 1.107 407 F HN 0.147 nan 8.300 nan 0.000 0.577 408 S N -1.342 114.430 115.700 0.120 0.000 2.540 408 S HA 0.021 4.492 4.470 0.003 0.000 0.218 408 S C 0.839 175.451 174.600 0.020 0.000 0.977 408 S CA -0.109 58.124 58.200 0.056 0.000 0.918 408 S CB -1.087 62.117 63.200 0.008 0.000 0.806 408 S HN 0.182 nan 8.310 nan 0.000 0.496 409 T N 0.709 115.279 114.554 0.028 0.000 2.930 409 T HA 0.350 4.702 4.350 0.003 0.000 0.306 409 T C 0.976 175.683 174.700 0.012 0.000 1.045 409 T CA -0.573 61.536 62.100 0.016 0.000 1.134 409 T CB 0.851 69.752 68.868 0.054 0.000 0.961 409 T HN 0.089 nan 8.240 nan 0.000 0.545 410 L N 3.777 124.958 121.223 -0.071 0.000 2.027 410 L HA 0.179 4.520 4.340 0.003 0.000 0.206 410 L C 1.029 177.858 176.870 -0.067 0.000 1.074 410 L CA 1.398 56.154 54.840 -0.140 0.000 0.745 410 L CB -0.234 41.597 42.059 -0.380 0.000 0.898 410 L HN 0.672 nan 8.230 nan 0.000 0.433 411 V N 1.821 121.668 119.914 -0.111 0.000 2.461 411 V HA 0.207 4.328 4.120 0.003 0.000 0.275 411 V C 0.244 176.385 176.094 0.077 0.000 1.047 411 V CA -0.661 61.645 62.300 0.011 0.000 0.955 411 V CB 1.108 32.878 31.823 -0.089 0.000 0.988 411 V HN 0.284 nan 8.190 nan 0.000 0.471 412 Q N 3.168 123.010 119.800 0.070 0.000 2.169 412 Q HA 0.439 4.781 4.340 0.003 0.000 0.234 412 Q C -0.314 175.737 176.000 0.084 0.000 0.980 412 Q CA -0.543 55.325 55.803 0.108 0.000 0.941 412 Q CB 1.454 30.295 28.738 0.171 0.000 1.199 412 Q HN 0.703 nan 8.270 nan 0.000 0.496 413 N N 0.767 119.525 118.700 0.097 0.000 2.707 413 N HA 0.201 4.942 4.740 0.003 0.000 0.249 413 N C -0.381 175.188 175.510 0.097 0.000 1.299 413 N CA 0.077 53.184 53.050 0.095 0.000 0.769 413 N CB 0.076 38.611 38.487 0.080 0.000 1.236 413 N HN 0.468 nan 8.380 nan 0.000 0.524 414 L N 0.701 122.001 121.223 0.130 0.000 2.307 414 L HA 0.198 4.539 4.340 0.003 0.000 0.211 414 L C 0.640 177.581 176.870 0.118 0.000 1.099 414 L CA -0.045 54.879 54.840 0.140 0.000 0.816 414 L CB -0.437 41.722 42.059 0.167 0.000 0.952 414 L HN 0.468 nan 8.230 nan 0.000 0.455 415 N N 1.045 119.819 118.700 0.123 0.000 5.495 415 N HA -0.251 4.491 4.740 0.003 0.000 0.335 415 N C 0.014 175.594 175.510 0.117 0.000 0.914 415 N CA 1.613 54.732 53.050 0.115 0.000 1.149 415 N CB -0.584 37.953 38.487 0.084 0.000 0.791 415 N HN 0.352 nan 8.380 nan 0.000 0.517 416 D N -0.379 120.082 120.400 0.102 0.000 2.336 416 D HA 0.063 4.704 4.640 0.003 0.000 0.228 416 D C 0.744 177.083 176.300 0.065 0.000 1.120 416 D CA 0.171 54.227 54.000 0.093 0.000 0.839 416 D CB -0.623 40.234 40.800 0.094 0.000 0.932 416 D HN 0.570 nan 8.370 nan 0.000 0.509 417 N N -0.903 117.835 118.700 0.064 0.000 2.143 417 N HA 0.010 4.752 4.740 0.003 0.000 0.229 417 N C -0.736 174.808 175.510 0.057 0.000 1.294 417 N CA -0.226 52.854 53.050 0.050 0.000 0.883 417 N CB 0.166 38.680 38.487 0.045 0.000 1.148 417 N HN -0.129 nan 8.380 nan 0.000 0.511 418 T N 0.858 115.454 114.554 0.071 0.000 2.824 418 T HA 0.175 4.526 4.350 0.003 0.000 0.280 418 T C -1.079 173.647 174.700 0.043 0.000 0.995 418 T CA -0.464 61.688 62.100 0.086 0.000 1.009 418 T CB 1.986 70.942 68.868 0.146 0.000 0.955 418 T HN 0.015 nan 8.240 nan 0.000 0.452 419 D N 3.245 123.652 120.400 0.012 0.000 2.339 419 D HA 0.197 4.839 4.640 0.003 0.000 0.256 419 D C -1.460 174.779 176.300 -0.102 0.000 1.214 419 D CA -2.241 51.724 54.000 -0.059 0.000 0.877 419 D CB 1.466 42.229 40.800 -0.062 0.000 1.111 419 D HN 0.073 nan 8.370 nan 0.000 0.478 420 P HA -0.142 nan 4.420 nan 0.000 0.217 420 P C 0.720 177.844 177.300 -0.293 0.000 1.151 420 P CA 0.902 63.840 63.100 -0.269 0.000 0.849 420 P CB 0.298 31.643 31.700 -0.592 0.000 0.787 421 D N -0.802 119.420 120.400 -0.298 0.000 2.221 421 D HA -0.142 4.500 4.640 0.003 0.000 0.204 421 D C 1.239 177.433 176.300 -0.176 0.000 0.982 421 D CA 1.018 54.870 54.000 -0.246 0.000 0.857 421 D CB -0.476 40.197 40.800 -0.211 0.000 0.934 421 D HN 0.212 nan 8.370 nan 0.000 0.475 422 D N 0.016 120.295 120.400 -0.201 0.000 2.269 422 D HA -0.016 4.625 4.640 0.003 0.000 0.208 422 D C 1.649 177.580 176.300 -0.615 0.000 0.963 422 D CA 0.408 54.218 54.000 -0.317 0.000 0.864 422 D CB 0.075 40.732 40.800 -0.239 0.000 0.936 422 D HN 0.135 nan 8.370 nan 0.000 0.505 423 A N -0.017 122.578 122.820 -0.375 0.000 2.275 423 A HA 0.082 4.403 4.320 0.003 0.000 0.212 423 A C 0.571 178.107 177.584 -0.080 0.000 1.201 423 A CA -0.496 51.372 52.037 -0.282 0.000 0.843 423 A CB -0.457 18.608 19.000 0.109 0.000 0.873 423 A HN 0.125 nan 8.150 nan 0.000 0.492 424 F N 2.426 122.253 119.950 -0.205 0.000 2.504 424 F HA 0.418 4.947 4.527 0.002 0.000 0.369 424 F C 0.651 176.436 175.800 -0.024 0.000 1.082 424 F CA 0.456 58.411 58.000 -0.075 0.000 1.216 424 F CB 0.543 39.473 39.000 -0.116 0.000 1.108 424 F HN 0.210 nan 8.300 nan 0.000 0.554 425 S N 2.489 117.836 115.700 -0.588 0.000 2.843 425 S HA 0.323 4.794 4.470 0.003 0.000 0.301 425 S C 0.265 174.585 174.600 -0.468 0.000 1.206 425 S CA -0.238 57.678 58.200 -0.474 0.000 0.875 425 S CB 1.427 64.530 63.200 -0.161 0.000 1.248 425 S HN 0.395 nan 8.310 nan 0.000 0.555 426 T N 0.968 115.374 114.554 -0.246 0.000 3.088 426 T HA 0.107 4.459 4.350 0.003 0.000 0.259 426 T C 1.730 176.462 174.700 0.054 0.000 1.122 426 T CA 0.797 62.812 62.100 -0.141 0.000 1.095 426 T CB -0.361 68.414 68.868 -0.155 0.000 0.930 426 T HN 0.396 nan 8.240 nan 0.000 0.508 427 V N 3.151 123.085 119.914 0.034 0.000 2.233 427 V HA -0.138 3.983 4.120 0.003 0.000 0.247 427 V C -0.111 176.072 176.094 0.149 0.000 1.050 427 V CA 1.891 64.233 62.300 0.070 0.000 1.010 427 V CB -1.415 30.439 31.823 0.053 0.000 0.637 427 V HN 0.383 nan 8.190 nan 0.000 0.444 428 P HA -0.178 nan 4.420 nan 0.000 0.216 428 P C 1.286 178.679 177.300 0.155 0.000 1.150 428 P CA 1.787 65.014 63.100 0.211 0.000 0.837 428 P CB -0.142 31.721 31.700 0.273 0.000 0.786 429 Y N 0.976 121.345 120.300 0.116 0.000 2.089 429 Y HA -0.158 4.394 4.550 0.002 0.000 0.282 429 Y C 2.759 178.765 175.900 0.178 0.000 1.139 429 Y CA 1.584 59.765 58.100 0.135 0.000 1.123 429 Y CB -1.074 37.436 38.460 0.085 0.000 0.980 429 Y HN -0.042 nan 8.280 nan 0.000 0.493 430 E N -0.095 120.293 120.200 0.313 0.000 2.102 430 E HA -0.089 4.263 4.350 0.003 0.000 0.190 430 E C 2.057 178.862 176.600 0.343 0.000 0.971 430 E CA 0.550 57.126 56.400 0.293 0.000 0.821 430 E CB -0.296 29.497 29.700 0.155 0.000 0.777 430 E HN 0.379 nan 8.360 nan 0.000 0.460 431 K N 0.826 121.356 120.400 0.217 0.000 2.097 431 K HA -0.081 4.240 4.320 0.003 0.000 0.205 431 K C 2.094 178.809 176.600 0.193 0.000 1.050 431 K CA 1.300 57.710 56.287 0.205 0.000 0.938 431 K CB -0.237 32.305 32.500 0.069 0.000 0.718 431 K HN 0.119 nan 8.250 nan 0.000 0.442 432 G N 0.850 109.738 108.800 0.147 0.000 2.433 432 G HA2 -0.290 3.672 3.960 0.003 0.000 0.216 432 G HA3 -0.290 3.672 3.960 0.003 0.000 0.216 432 G C 1.315 176.304 174.900 0.147 0.000 1.186 432 G CA 0.720 45.890 45.100 0.117 0.000 0.779 432 G HN 0.424 nan 8.290 nan 0.000 0.543 433 F N 2.117 122.151 119.950 0.140 0.000 2.091 433 F HA -0.148 4.381 4.527 0.003 0.000 0.299 433 F C 2.367 178.282 175.800 0.192 0.000 1.103 433 F CA 2.021 60.124 58.000 0.172 0.000 1.228 433 F CB -0.283 38.836 39.000 0.199 0.000 0.984 433 F HN 0.073 nan 8.300 nan 0.000 0.477 434 N N 0.747 119.554 118.700 0.178 0.000 2.223 434 N HA -0.161 4.581 4.740 0.003 0.000 0.185 434 N C 1.913 177.362 175.510 -0.101 0.000 1.016 434 N CA 1.298 54.448 53.050 0.166 0.000 0.863 434 N CB -0.372 38.481 38.487 0.611 0.000 0.983 434 N HN 0.352 nan 8.380 nan 0.000 0.429 435 L N 1.536 122.555 121.223 -0.340 0.000 1.994 435 L HA -0.058 4.284 4.340 0.003 0.000 0.208 435 L C 2.085 178.579 176.870 -0.626 0.000 1.071 435 L CA 1.378 55.654 54.840 -0.940 0.000 0.745 435 L CB -0.774 40.835 42.059 -0.751 0.000 0.892 435 L HN 0.076 nan 8.230 nan 0.000 0.431 436 L N -1.699 119.220 121.223 -0.507 0.000 2.131 436 L HA -0.217 4.124 4.340 0.003 0.000 0.210 436 L C 2.397 178.875 176.870 -0.653 0.000 1.092 436 L CA 1.249 55.709 54.840 -0.633 0.000 0.759 436 L CB -0.623 40.913 42.059 -0.871 0.000 0.903 436 L HN 0.297 nan 8.230 nan 0.000 0.435 437 F N 0.091 119.656 119.950 -0.641 0.000 2.163 437 F HA -0.208 4.321 4.527 0.002 0.000 0.297 437 F C 2.679 178.239 175.800 -0.402 0.000 1.094 437 F CA 1.712 59.430 58.000 -0.471 0.000 1.290 437 F CB -0.247 38.431 39.000 -0.537 0.000 1.017 437 F HN 0.077 nan 8.300 nan 0.000 0.483 438 H N 0.288 119.108 119.070 -0.416 0.000 2.352 438 H HA -0.165 4.393 4.556 0.003 0.000 0.299 438 H C 2.062 177.035 175.328 -0.592 0.000 1.097 438 H CA 2.495 58.260 56.048 -0.472 0.000 1.311 438 H CB -0.425 29.029 29.762 -0.514 0.000 1.377 438 H HN 0.347 nan 8.280 nan 0.000 0.504 439 L N 0.036 120.837 121.223 -0.702 0.000 2.056 439 L HA -0.134 4.207 4.340 0.003 0.000 0.207 439 L C 2.632 178.940 176.870 -0.936 0.000 1.078 439 L CA 1.755 56.154 54.840 -0.734 0.000 0.749 439 L CB -0.586 41.173 42.059 -0.500 0.000 0.901 439 L HN 0.472 nan 8.230 nan 0.000 0.433 440 E N -0.013 119.426 120.200 -1.269 0.000 2.085 440 E HA -0.232 4.119 4.350 0.003 0.000 0.194 440 E C 1.923 178.124 176.600 -0.665 0.000 0.994 440 E CA 2.038 57.756 56.400 -1.137 0.000 0.801 440 E CB 0.077 29.272 29.700 -0.842 0.000 0.743 440 E HN 0.409 nan 8.360 nan 0.000 0.453 441 T N 1.954 116.071 114.554 -0.729 0.000 2.732 441 T HA -0.105 4.246 4.350 0.003 0.000 0.261 441 T C 1.959 176.396 174.700 -0.438 0.000 1.040 441 T CA 1.485 63.252 62.100 -0.555 0.000 1.145 441 T CB -0.324 68.194 68.868 -0.584 0.000 0.866 441 T HN 0.471 nan 8.240 nan 0.000 0.427 442 I N -0.652 119.594 120.570 -0.541 0.000 3.001 442 I HA 0.127 4.299 4.170 0.003 0.000 0.268 442 I C 1.393 177.289 176.117 -0.369 0.000 1.267 442 I CA 1.240 62.273 61.300 -0.445 0.000 1.472 442 I CB -0.442 37.225 38.000 -0.555 0.000 1.089 442 I HN 0.163 nan 8.210 nan 0.000 0.468 443 L N 1.424 122.415 121.223 -0.387 0.000 2.607 443 L HA 0.438 4.780 4.340 0.003 0.000 0.228 443 L C 1.410 178.150 176.870 -0.217 0.000 1.123 443 L CA 0.653 55.283 54.840 -0.351 0.000 0.890 443 L CB 0.244 42.037 42.059 -0.443 0.000 1.103 443 L HN 0.580 nan 8.230 nan 0.000 0.468 444 G N -0.657 108.031 108.800 -0.185 0.000 2.159 444 G HA2 0.060 4.022 3.960 0.003 0.000 0.170 444 G HA3 0.060 4.022 3.960 0.003 0.000 0.170 444 G C 0.530 175.397 174.900 -0.055 0.000 1.007 444 G CA -0.257 44.782 45.100 -0.102 0.000 0.672 444 G HN 0.733 nan 8.290 nan 0.000 0.507 445 G N -0.296 108.452 108.800 -0.086 0.000 2.698 445 G HA2 -0.013 3.949 3.960 0.003 0.000 0.225 445 G HA3 -0.013 3.949 3.960 0.003 0.000 0.225 445 G C 0.780 175.737 174.900 0.095 0.000 1.345 445 G CA 0.497 45.577 45.100 -0.033 0.000 0.871 445 G HN 0.898 nan 8.290 nan 0.000 0.540 446 K N 0.026 120.506 120.400 0.132 0.000 2.097 446 K HA 0.019 4.341 4.320 0.003 0.000 0.206 446 K C 2.961 179.694 176.600 0.222 0.000 1.049 446 K CA 1.907 58.330 56.287 0.227 0.000 0.933 446 K CB -0.292 32.319 32.500 0.185 0.000 0.717 446 K HN 0.882 nan 8.250 nan 0.000 0.442 447 A N 1.616 124.529 122.820 0.155 0.000 1.972 447 A HA -0.218 4.104 4.320 0.003 0.000 0.219 447 A C 2.044 179.736 177.584 0.179 0.000 1.169 447 A CA 1.811 53.932 52.037 0.140 0.000 0.635 447 A CB -0.297 18.761 19.000 0.097 0.000 0.810 447 A HN 0.363 nan 8.150 nan 0.000 0.446 448 E N -2.309 118.010 120.200 0.198 0.000 2.340 448 E HA 0.085 4.436 4.350 0.003 0.000 0.194 448 E C 1.402 178.253 176.600 0.418 0.000 0.996 448 E CA 0.294 56.846 56.400 0.253 0.000 0.869 448 E CB -0.132 29.660 29.700 0.153 0.000 0.835 448 E HN 0.527 nan 8.360 nan 0.000 0.493 449 F N 0.988 121.069 119.950 0.218 0.000 2.262 449 F HA 0.043 4.572 4.527 0.002 0.000 0.292 449 F C 1.450 177.462 175.800 0.352 0.000 1.081 449 F CA 1.008 59.184 58.000 0.292 0.000 1.355 449 F CB -0.127 38.978 39.000 0.174 0.000 1.069 449 F HN -0.042 nan 8.300 nan 0.000 0.506 450 D N 1.000 121.588 120.400 0.312 0.000 2.157 450 D HA -0.211 4.431 4.640 0.003 0.000 0.191 450 D C -0.538 175.828 176.300 0.110 0.000 1.004 450 D CA 1.941 56.055 54.000 0.190 0.000 0.854 450 D CB -1.907 39.004 40.800 0.184 0.000 0.936 450 D HN 0.237 nan 8.370 nan 0.000 0.446 451 P HA -0.127 nan 4.420 nan 0.000 0.218 451 P C 1.470 178.708 177.300 -0.103 0.000 1.148 451 P CA 0.759 63.956 63.100 0.162 0.000 0.822 451 P CB -0.150 31.758 31.700 0.345 0.000 0.784 452 F N -0.119 119.571 119.950 -0.433 0.000 2.259 452 F HA -0.072 4.457 4.527 0.003 0.000 0.298 452 F C 1.921 177.454 175.800 -0.446 0.000 1.088 452 F CA 1.065 58.519 58.000 -0.910 0.000 1.358 452 F CB -0.604 37.957 39.000 -0.733 0.000 1.040 452 F HN -0.239 nan 8.300 nan 0.000 0.505 453 I N 0.566 120.948 120.570 -0.314 0.000 2.163 453 I HA -0.314 3.857 4.170 0.003 0.000 0.243 453 I C 2.391 178.497 176.117 -0.018 0.000 1.085 453 I CA 1.540 62.755 61.300 -0.140 0.000 1.347 453 I CB -0.518 37.544 38.000 0.103 0.000 1.044 453 I HN 0.109 nan 8.210 nan 0.000 0.408 454 R N -0.573 119.932 120.500 0.010 0.000 2.115 454 R HA -0.152 4.189 4.340 0.003 0.000 0.226 454 R C 2.355 178.738 176.300 0.140 0.000 1.100 454 R CA 1.017 57.235 56.100 0.196 0.000 0.980 454 R CB -0.652 29.778 30.300 0.217 0.000 0.875 454 R HN 0.540 nan 8.270 nan 0.000 0.445 455 H N 0.170 119.105 119.070 -0.224 0.000 2.357 455 H HA -0.179 4.379 4.556 0.003 0.000 0.301 455 H C 1.795 176.925 175.328 -0.331 0.000 1.082 455 H CA 1.694 57.559 56.048 -0.305 0.000 1.342 455 H CB 0.006 29.429 29.762 -0.564 0.000 1.389 455 H HN 0.250 nan 8.280 nan 0.000 0.511 456 Y N 0.522 120.373 120.300 -0.748 0.000 2.163 456 Y HA -0.175 4.376 4.550 0.002 0.000 0.288 456 Y C 1.865 177.466 175.900 -0.498 0.000 1.136 456 Y CA 1.706 59.335 58.100 -0.786 0.000 1.147 456 Y CB -0.721 37.060 38.460 -1.130 0.000 0.987 456 Y HN 0.047 nan 8.280 nan 0.000 0.509 457 F N 0.757 120.578 119.950 -0.215 0.000 2.325 457 F HA -0.034 4.494 4.527 0.003 0.000 0.299 457 F C 2.477 178.332 175.800 0.090 0.000 1.090 457 F CA 1.423 59.363 58.000 -0.099 0.000 1.392 457 F CB -0.350 38.626 39.000 -0.040 0.000 1.053 457 F HN 0.001 nan 8.300 nan 0.000 0.521 458 K N 1.052 121.569 120.400 0.195 0.000 2.076 458 K HA -0.163 4.158 4.320 0.003 0.000 0.204 458 K C 2.233 178.679 176.600 -0.256 0.000 1.051 458 K CA 0.977 57.231 56.287 -0.055 0.000 0.949 458 K CB -0.108 32.293 32.500 -0.165 0.000 0.726 458 K HN 0.180 nan 8.250 nan 0.000 0.443 459 K N -0.220 119.894 120.400 -0.477 0.000 2.032 459 K HA -0.135 4.187 4.320 0.003 0.000 0.209 459 K C 1.193 177.351 176.600 -0.737 0.000 1.048 459 K CA 1.580 57.432 56.287 -0.725 0.000 0.927 459 K CB -0.086 31.735 32.500 -1.131 0.000 0.712 459 K HN 0.058 nan 8.250 nan 0.000 0.441 460 F N 0.895 120.600 119.950 -0.408 0.000 2.641 460 F HA 0.348 4.876 4.527 0.002 0.000 0.302 460 F C 0.423 176.088 175.800 -0.225 0.000 1.098 460 F CA -0.493 57.296 58.000 -0.351 0.000 1.318 460 F CB 0.064 38.748 39.000 -0.527 0.000 1.035 460 F HN -0.045 nan 8.300 nan 0.000 0.551 461 A N 1.091 123.887 122.820 -0.041 0.000 2.566 461 A HA 0.140 4.462 4.320 0.003 0.000 0.245 461 A C 1.205 178.769 177.584 -0.034 0.000 1.056 461 A CA 0.120 52.157 52.037 -0.001 0.000 0.757 461 A CB -0.341 18.646 19.000 -0.022 0.000 0.979 461 A HN 0.632 nan 8.150 nan 0.000 0.508 462 K N 0.109 120.496 120.400 -0.021 0.000 3.339 462 K HA -0.182 4.140 4.320 0.003 0.000 0.299 462 K C -0.099 176.504 176.600 0.004 0.000 1.270 462 K CA 1.848 58.119 56.287 -0.026 0.000 0.875 462 K CB -1.615 30.842 32.500 -0.071 0.000 1.298 462 K HN 0.840 nan 8.250 nan 0.000 0.485 463 K N -0.345 120.069 120.400 0.022 0.000 2.399 463 K HA 0.579 4.901 4.320 0.003 0.000 0.260 463 K C -0.845 175.764 176.600 0.014 0.000 1.049 463 K CA -0.893 55.414 56.287 0.033 0.000 0.890 463 K CB 2.073 34.614 32.500 0.068 0.000 1.430 463 K HN -0.007 nan 8.250 nan 0.000 0.459 464 S N 0.661 116.357 115.700 -0.007 0.000 2.570 464 S HA 0.723 5.194 4.470 0.003 0.000 0.286 464 S C -1.316 173.196 174.600 -0.145 0.000 1.099 464 S CA -1.003 57.148 58.200 -0.082 0.000 0.913 464 S CB 1.251 64.407 63.200 -0.073 0.000 1.085 464 S HN 0.569 nan 8.310 nan 0.000 0.480 465 L N -0.437 120.630 121.223 -0.261 0.000 2.479 465 L HA 0.907 5.249 4.340 0.003 0.000 0.255 465 L C -1.595 175.089 176.870 -0.310 0.000 1.026 465 L CA -1.130 53.510 54.840 -0.335 0.000 0.842 465 L CB 1.740 43.350 42.059 -0.748 0.000 1.444 465 L HN 0.614 nan 8.230 nan 0.000 0.409 466 D N -1.240 118.984 120.400 -0.294 0.000 2.487 466 D HA 0.362 5.004 4.640 0.003 0.000 0.262 466 D C 0.692 176.812 176.300 -0.299 0.000 1.130 466 D CA -0.220 53.476 54.000 -0.506 0.000 1.038 466 D CB 1.054 41.511 40.800 -0.571 0.000 1.142 466 D HN 0.619 nan 8.370 nan 0.000 0.575 467 T N -0.489 113.881 114.554 -0.305 0.000 2.803 467 T HA -0.112 4.239 4.350 0.003 0.000 0.269 467 T C 1.351 176.049 174.700 -0.004 0.000 1.052 467 T CA 1.237 63.337 62.100 -0.000 0.000 1.136 467 T CB -0.515 68.448 68.868 0.159 0.000 0.864 467 T HN 0.337 nan 8.240 nan 0.000 0.467 468 F N 1.578 121.611 119.950 0.139 0.000 2.146 468 F HA -0.030 4.498 4.527 0.003 0.000 0.298 468 F C 2.655 178.517 175.800 0.104 0.000 1.096 468 F CA 0.829 58.898 58.000 0.115 0.000 1.275 468 F CB -0.730 38.317 39.000 0.080 0.000 1.008 468 F HN 0.164 nan 8.300 nan 0.000 0.480 469 Q N -0.702 119.246 119.800 0.248 0.000 2.224 469 Q HA -0.183 4.159 4.340 0.003 0.000 0.203 469 Q C 2.064 178.220 176.000 0.260 0.000 0.970 469 Q CA 1.546 57.479 55.803 0.216 0.000 0.865 469 Q CB -0.513 28.297 28.738 0.119 0.000 0.922 469 Q HN 0.526 nan 8.270 nan 0.000 0.445 470 F N 1.032 121.026 119.950 0.073 0.000 2.146 470 F HA -0.142 4.386 4.527 0.002 0.000 0.298 470 F C 1.580 177.552 175.800 0.287 0.000 1.096 470 F CA 1.133 59.261 58.000 0.215 0.000 1.275 470 F CB -0.033 39.048 39.000 0.136 0.000 1.008 470 F HN -0.064 nan 8.300 nan 0.000 0.480 471 L N 0.140 121.394 121.223 0.051 0.000 2.027 471 L HA -0.198 4.144 4.340 0.003 0.000 0.206 471 L C 2.279 179.156 176.870 0.012 0.000 1.074 471 L CA 1.397 56.157 54.840 -0.133 0.000 0.745 471 L CB -1.006 40.959 42.059 -0.158 0.000 0.898 471 L HN 0.070 nan 8.230 nan 0.000 0.433 472 D N -0.124 120.328 120.400 0.087 0.000 2.154 472 D HA -0.208 4.434 4.640 0.003 0.000 0.190 472 D C 2.121 178.554 176.300 0.222 0.000 1.003 472 D CA 2.068 56.154 54.000 0.143 0.000 0.849 472 D CB -0.462 40.432 40.800 0.157 0.000 0.942 472 D HN 0.250 nan 8.370 nan 0.000 0.446 473 T N 1.053 115.763 114.554 0.259 0.000 2.720 473 T HA -0.154 4.198 4.350 0.003 0.000 0.268 473 T C 1.921 176.887 174.700 0.444 0.000 1.037 473 T CA 0.612 62.930 62.100 0.362 0.000 1.144 473 T CB -0.404 68.731 68.868 0.445 0.000 0.864 473 T HN 0.021 nan 8.240 nan 0.000 0.444 474 L N 0.132 121.514 121.223 0.264 0.000 1.956 474 L HA -0.116 4.226 4.340 0.003 0.000 0.216 474 L C 2.132 179.107 176.870 0.176 0.000 1.073 474 L CA 1.859 56.732 54.840 0.055 0.000 0.762 474 L CB -0.940 40.961 42.059 -0.263 0.000 0.889 474 L HN 0.232 nan 8.230 nan 0.000 0.433 475 Y N 0.508 120.850 120.300 0.071 0.000 2.081 475 Y HA -0.294 4.258 4.550 0.003 0.000 0.280 475 Y C 2.623 178.599 175.900 0.127 0.000 1.163 475 Y CA 2.128 60.290 58.100 0.103 0.000 1.135 475 Y CB -0.636 37.855 38.460 0.052 0.000 0.970 475 Y HN 0.352 nan 8.280 nan 0.000 0.498 476 E N -1.316 119.054 120.200 0.284 0.000 2.219 476 E HA -0.264 4.088 4.350 0.003 0.000 0.198 476 E C 1.786 178.466 176.600 0.134 0.000 0.998 476 E CA 1.468 57.984 56.400 0.194 0.000 0.818 476 E CB -0.392 29.426 29.700 0.196 0.000 0.741 476 E HN 0.481 nan 8.360 nan 0.000 0.477 477 F N -0.660 119.279 119.950 -0.019 0.000 2.473 477 F HA 0.019 4.548 4.527 0.003 0.000 0.294 477 F C 0.227 175.812 175.800 -0.358 0.000 1.103 477 F CA 0.411 58.268 58.000 -0.238 0.000 1.442 477 F CB 0.568 39.432 39.000 -0.228 0.000 1.097 477 F HN -0.142 nan 8.300 nan 0.000 0.547 478 Y N 1.229 121.548 120.300 0.032 0.000 2.836 478 Y HA 0.353 4.904 4.550 0.002 0.000 0.359 478 Y C -1.928 173.912 175.900 -0.099 0.000 1.060 478 Y CA -3.208 54.840 58.100 -0.086 0.000 1.161 478 Y CB -0.214 38.208 38.460 -0.063 0.000 1.225 478 Y HN -0.040 nan 8.280 nan 0.000 0.621 479 P HA -0.145 nan 4.420 nan 0.000 0.222 479 P C 1.349 178.659 177.300 0.018 0.000 1.153 479 P CA 1.210 64.323 63.100 0.023 0.000 0.798 479 P CB 0.440 32.135 31.700 -0.009 0.000 0.796 480 E N 0.896 121.103 120.200 0.011 0.000 2.358 480 E HA -0.118 4.233 4.350 0.003 0.000 0.195 480 E C 0.874 177.469 176.600 -0.007 0.000 1.010 480 E CA 0.983 57.384 56.400 0.003 0.000 0.856 480 E CB -0.454 29.244 29.700 -0.004 0.000 0.795 480 E HN 0.228 nan 8.360 nan 0.000 0.504 481 K N 1.098 121.492 120.400 -0.009 0.000 2.399 481 K HA 0.129 4.451 4.320 0.003 0.000 0.204 481 K C 1.484 178.026 176.600 -0.095 0.000 1.023 481 K CA -0.062 56.176 56.287 -0.082 0.000 1.127 481 K CB 0.663 33.047 32.500 -0.194 0.000 0.856 481 K HN 0.009 nan 8.250 nan 0.000 0.514 482 K N 2.346 122.717 120.400 -0.047 0.000 2.127 482 K HA -0.274 4.048 4.320 0.003 0.000 0.208 482 K C 1.861 178.475 176.600 0.022 0.000 1.047 482 K CA 1.916 58.195 56.287 -0.013 0.000 0.927 482 K CB 0.092 32.638 32.500 0.078 0.000 0.716 482 K HN -0.010 nan 8.250 nan 0.000 0.450 483 E N 0.747 120.951 120.200 0.008 0.000 2.049 483 E HA -0.188 4.164 4.350 0.003 0.000 0.198 483 E C 1.767 178.362 176.600 -0.009 0.000 1.007 483 E CA 2.054 58.460 56.400 0.011 0.000 0.809 483 E CB -0.216 29.480 29.700 -0.007 0.000 0.749 483 E HN 0.477 nan 8.360 nan 0.000 0.450 484 I N -0.033 120.500 120.570 -0.063 0.000 2.202 484 I HA -0.264 3.908 4.170 0.003 0.000 0.242 484 I C 2.328 178.388 176.117 -0.095 0.000 1.091 484 I CA 0.929 62.166 61.300 -0.106 0.000 1.368 484 I CB -0.301 37.593 38.000 -0.176 0.000 1.058 484 I HN 0.145 nan 8.210 nan 0.000 0.410 485 L N 0.160 121.323 121.223 -0.100 0.000 2.056 485 L HA -0.215 4.127 4.340 0.003 0.000 0.207 485 L C 2.057 179.099 176.870 0.286 0.000 1.078 485 L CA 1.165 56.010 54.840 0.008 0.000 0.749 485 L CB -0.764 41.100 42.059 -0.324 0.000 0.901 485 L HN 0.209 nan 8.230 nan 0.000 0.433 486 D N -0.190 120.375 120.400 0.275 0.000 2.265 486 D HA -0.146 4.496 4.640 0.003 0.000 0.208 486 D C 2.269 178.693 176.300 0.206 0.000 0.977 486 D CA 1.530 55.741 54.000 0.351 0.000 0.871 486 D CB -0.016 40.944 40.800 0.267 0.000 0.925 486 D HN 0.355 nan 8.370 nan 0.000 0.485 487 S N -0.649 115.104 115.700 0.089 0.000 2.593 487 S HA 0.055 4.526 4.470 0.003 0.000 0.217 487 S C 0.782 175.365 174.600 -0.030 0.000 0.966 487 S CA -0.403 57.815 58.200 0.031 0.000 0.914 487 S CB 0.044 63.248 63.200 0.007 0.000 0.776 487 S HN -0.117 nan 8.310 nan 0.000 0.523 488 V N 3.203 123.031 119.914 -0.144 0.000 2.555 488 V HA 0.187 4.309 4.120 0.003 0.000 0.286 488 V C 0.322 176.161 176.094 -0.426 0.000 1.044 488 V CA -0.428 61.629 62.300 -0.406 0.000 1.026 488 V CB 0.908 32.102 31.823 -1.049 0.000 0.981 488 V HN 0.354 nan 8.190 nan 0.000 0.480 489 D N 4.251 124.564 120.400 -0.145 0.000 2.455 489 D HA 0.066 4.708 4.640 0.003 0.000 0.234 489 D C 0.662 177.023 176.300 0.102 0.000 1.224 489 D CA -0.035 53.964 54.000 -0.002 0.000 0.999 489 D CB 0.118 40.920 40.800 0.003 0.000 1.072 489 D HN 0.557 nan 8.370 nan 0.000 0.514 490 W N 1.870 123.314 121.300 0.240 0.000 2.388 490 W HA -0.073 4.589 4.660 0.002 0.000 0.294 490 W C 2.169 178.815 176.519 0.212 0.000 1.212 490 W CA -0.054 57.428 57.345 0.228 0.000 1.271 490 W CB 0.125 29.705 29.460 0.200 0.000 1.126 490 W HN 0.342 nan 8.180 nan 0.000 0.535 491 E N -0.080 120.365 120.200 0.408 0.000 2.058 491 E HA -0.181 4.171 4.350 0.003 0.000 0.194 491 E C 1.980 178.713 176.600 0.221 0.000 0.997 491 E CA 2.029 58.633 56.400 0.340 0.000 0.801 491 E CB -0.688 29.153 29.700 0.234 0.000 0.746 491 E HN 0.218 nan 8.360 nan 0.000 0.450 492 T N -0.096 114.519 114.554 0.102 0.000 2.737 492 T HA -0.157 4.194 4.350 0.003 0.000 0.265 492 T C 1.536 176.163 174.700 -0.122 0.000 1.038 492 T CA 1.279 63.344 62.100 -0.060 0.000 1.144 492 T CB -0.400 68.350 68.868 -0.197 0.000 0.866 492 T HN 0.305 nan 8.240 nan 0.000 0.434 493 W N 1.156 122.402 121.300 -0.090 0.000 2.354 493 W HA 0.046 4.707 4.660 0.003 0.000 0.315 493 W C 2.091 178.471 176.519 -0.232 0.000 1.206 493 W CA 0.596 57.842 57.345 -0.166 0.000 1.290 493 W CB -0.414 28.928 29.460 -0.197 0.000 1.152 493 W HN 0.186 nan 8.180 nan 0.000 0.489 494 L N -2.373 118.850 121.223 -0.000 0.000 2.307 494 L HA -0.052 4.289 4.340 0.003 0.000 0.211 494 L C 1.195 177.748 176.870 -0.529 0.000 1.099 494 L CA 0.847 55.435 54.840 -0.420 0.000 0.816 494 L CB -0.376 41.275 42.059 -0.681 0.000 0.952 494 L HN 0.045 nan 8.230 nan 0.000 0.455 495 Y N -1.274 119.057 120.300 0.053 0.000 2.448 495 Y HA 0.274 4.826 4.550 0.003 0.000 0.257 495 Y C 0.702 176.606 175.900 0.007 0.000 1.089 495 Y CA -0.900 57.223 58.100 0.039 0.000 1.245 495 Y CB 0.471 38.975 38.460 0.073 0.000 1.282 495 Y HN -0.137 nan 8.280 nan 0.000 0.529 496 K N 2.693 123.154 120.400 0.101 0.000 2.143 496 K HA 0.288 4.610 4.320 0.003 0.000 0.272 496 K C -2.549 174.038 176.600 -0.022 0.000 1.001 496 K CA -1.798 54.507 56.287 0.029 0.000 0.915 496 K CB 0.886 33.380 32.500 -0.011 0.000 1.047 496 K HN -0.106 nan 8.250 nan 0.000 0.458 497 P HA 0.139 nan 4.420 nan 0.000 0.289 497 P C 0.174 177.431 177.300 -0.072 0.000 1.299 497 P CA 0.018 63.094 63.100 -0.040 0.000 0.766 497 P CB 0.389 32.071 31.700 -0.029 0.000 1.226 498 G N -0.861 107.894 108.800 -0.075 0.000 2.741 498 G HA2 -0.155 3.806 3.960 0.003 0.000 0.222 498 G HA3 -0.155 3.806 3.960 0.003 0.000 0.222 498 G C -0.234 174.576 174.900 -0.150 0.000 1.364 498 G CA -0.630 44.409 45.100 -0.101 0.000 0.866 498 G HN 0.501 nan 8.290 nan 0.000 0.555 499 M N 1.928 121.425 119.600 -0.173 0.000 2.245 499 M HA 0.271 4.752 4.480 0.003 0.000 0.344 499 M C -1.147 175.021 176.300 -0.220 0.000 1.170 499 M CA -1.275 53.887 55.300 -0.230 0.000 1.135 499 M CB -0.073 32.394 32.600 -0.221 0.000 1.574 499 M HN 0.581 nan 8.290 nan 0.000 0.452 500 P HA 0.399 nan 4.420 nan 0.000 0.279 500 P C -2.676 174.411 177.300 -0.355 0.000 1.276 500 P CA -1.415 61.363 63.100 -0.537 0.000 0.801 500 P CB -0.936 30.302 31.700 -0.769 0.000 1.127 501 P HA 0.040 nan 4.420 nan 0.000 0.260 501 P C 0.151 177.343 177.300 -0.180 0.000 1.172 501 P CA 0.424 63.322 63.100 -0.337 0.000 0.760 501 P CB 0.108 31.573 31.700 -0.391 0.000 0.773 502 R N 6.043 126.442 120.500 -0.169 0.000 2.442 502 R HA 0.230 4.572 4.340 0.003 0.000 0.291 502 R C -1.964 173.971 176.300 -0.608 0.000 1.069 502 R CA -1.133 54.707 56.100 -0.432 0.000 1.022 502 R CB 0.024 30.119 30.300 -0.342 0.000 0.976 502 R HN 0.355 nan 8.270 nan 0.000 0.443 503 P HA 0.257 nan 4.420 nan 0.000 0.287 503 P C -1.335 175.350 177.300 -1.025 0.000 1.296 503 P CA -0.629 62.016 63.100 -0.757 0.000 0.811 503 P CB 0.897 32.084 31.700 -0.854 0.000 1.211 504 H N -1.206 117.569 119.070 -0.492 0.000 2.762 504 H HA 0.448 5.005 4.556 0.003 0.000 0.310 504 H C -0.718 174.483 175.328 -0.211 0.000 1.004 504 H CA -0.183 55.681 56.048 -0.306 0.000 1.267 504 H CB 0.232 29.926 29.762 -0.113 0.000 1.437 504 H HN 0.142 nan 8.280 nan 0.000 0.498 505 F N 1.782 121.817 119.950 0.142 0.000 2.432 505 F HA 0.337 4.865 4.527 0.003 0.000 0.329 505 F C 0.718 176.685 175.800 0.278 0.000 1.076 505 F CA -1.180 56.970 58.000 0.250 0.000 1.018 505 F CB 0.846 39.880 39.000 0.057 0.000 1.201 505 F HN 0.394 nan 8.300 nan 0.000 0.489 506 I N 2.073 122.997 120.570 0.591 0.000 2.574 506 I HA -0.038 4.133 4.170 0.003 0.000 0.291 506 I C 1.085 177.326 176.117 0.208 0.000 1.131 506 I CA 0.252 61.673 61.300 0.201 0.000 1.352 506 I CB -0.030 37.904 38.000 -0.110 0.000 1.431 506 I HN 0.709 nan 8.210 nan 0.000 0.543 507 T N 1.703 116.359 114.554 0.170 0.000 3.219 507 T HA 0.150 4.501 4.350 0.003 0.000 0.249 507 T C 1.658 176.382 174.700 0.040 0.000 1.099 507 T CA 0.290 62.478 62.100 0.148 0.000 0.988 507 T CB 0.286 69.254 68.868 0.167 0.000 0.999 507 T HN 0.633 nan 8.240 nan 0.000 0.550 508 A N 2.536 125.355 122.820 -0.002 0.000 1.859 508 A HA -0.005 4.316 4.320 0.003 0.000 0.217 508 A C 2.285 179.747 177.584 -0.203 0.000 1.198 508 A CA 1.622 53.613 52.037 -0.076 0.000 0.629 508 A CB -1.037 17.921 19.000 -0.069 0.000 0.830 508 A HN 0.568 nan 8.150 nan 0.000 0.446 509 L N -1.094 119.940 121.223 -0.314 0.000 2.127 509 L HA -0.237 4.104 4.340 0.003 0.000 0.211 509 L C 3.046 179.395 176.870 -0.869 0.000 1.089 509 L CA 1.073 55.508 54.840 -0.675 0.000 0.757 509 L CB -0.648 40.799 42.059 -1.020 0.000 0.899 509 L HN 0.521 nan 8.230 nan 0.000 0.434 510 A N 0.003 122.488 122.820 -0.558 0.000 1.840 510 A HA -0.184 4.138 4.320 0.003 0.000 0.214 510 A C 1.905 179.053 177.584 -0.727 0.000 1.198 510 A CA 1.548 53.245 52.037 -0.567 0.000 0.608 510 A CB -0.517 18.374 19.000 -0.182 0.000 0.839 510 A HN 0.322 nan 8.150 nan 0.000 0.443 511 D N 0.788 121.000 120.400 -0.315 0.000 2.172 511 D HA -0.184 4.457 4.640 0.003 0.000 0.196 511 D C 1.502 177.723 176.300 -0.132 0.000 0.999 511 D CA 1.512 55.449 54.000 -0.104 0.000 0.856 511 D CB -0.498 40.305 40.800 0.005 0.000 0.934 511 D HN 0.425 nan 8.370 nan 0.000 0.453 512 N N 0.318 118.888 118.700 -0.218 0.000 2.166 512 N HA -0.101 4.640 4.740 0.003 0.000 0.186 512 N C 2.075 177.496 175.510 -0.148 0.000 1.019 512 N CA 0.482 53.447 53.050 -0.142 0.000 0.856 512 N CB -0.451 37.941 38.487 -0.159 0.000 0.993 512 N HN 0.158 nan 8.380 nan 0.000 0.426 513 V N 0.844 120.510 119.914 -0.414 0.000 2.307 513 V HA -0.200 3.921 4.120 0.003 0.000 0.245 513 V C 1.889 178.000 176.094 0.027 0.000 1.045 513 V CA 1.285 63.395 62.300 -0.317 0.000 1.024 513 V CB -0.803 30.736 31.823 -0.473 0.000 0.651 513 V HN 0.134 nan 8.190 nan 0.000 0.449 514 Y N 0.404 120.706 120.300 0.002 0.000 2.165 514 Y HA -0.234 4.318 4.550 0.003 0.000 0.286 514 Y C 2.727 178.712 175.900 0.142 0.000 1.155 514 Y CA 1.208 59.338 58.100 0.050 0.000 1.164 514 Y CB -1.120 37.250 38.460 -0.149 0.000 0.978 514 Y HN 0.220 nan 8.280 nan 0.000 0.513 515 Q N 0.355 120.307 119.800 0.254 0.000 2.045 515 Q HA -0.225 4.116 4.340 0.003 0.000 0.206 515 Q C 2.368 178.528 176.000 0.267 0.000 0.991 515 Q CA 1.893 57.825 55.803 0.215 0.000 0.851 515 Q CB -0.660 28.162 28.738 0.140 0.000 0.911 515 Q HN 0.507 nan 8.270 nan 0.000 0.418 516 L N 0.600 121.991 121.223 0.280 0.000 2.093 516 L HA -0.037 4.305 4.340 0.003 0.000 0.208 516 L C 2.236 179.472 176.870 0.611 0.000 1.085 516 L CA 2.200 57.267 54.840 0.378 0.000 0.755 516 L CB -0.916 41.262 42.059 0.198 0.000 0.904 516 L HN 0.200 nan 8.230 nan 0.000 0.435 517 A N -0.911 122.284 122.820 0.626 0.000 1.898 517 A HA -0.172 4.149 4.320 0.003 0.000 0.216 517 A C 1.974 179.855 177.584 0.495 0.000 1.181 517 A CA 1.618 54.050 52.037 0.658 0.000 0.620 517 A CB -0.734 18.589 19.000 0.539 0.000 0.819 517 A HN 0.496 nan 8.150 nan 0.000 0.442 518 D N -0.218 120.412 120.400 0.385 0.000 2.104 518 D HA -0.165 4.476 4.640 0.003 0.000 0.194 518 D C 1.862 178.318 176.300 0.261 0.000 0.994 518 D CA 1.457 55.618 54.000 0.268 0.000 0.830 518 D CB -0.254 40.678 40.800 0.220 0.000 0.959 518 D HN 0.508 nan 8.370 nan 0.000 0.452 519 K N -0.464 120.128 120.400 0.319 0.000 2.097 519 K HA -0.153 4.168 4.320 0.003 0.000 0.206 519 K C 2.207 179.043 176.600 0.393 0.000 1.049 519 K CA 0.847 57.315 56.287 0.301 0.000 0.933 519 K CB -0.170 32.510 32.500 0.299 0.000 0.717 519 K HN 0.170 nan 8.250 nan 0.000 0.442 520 W N 0.543 122.084 121.300 0.402 0.000 2.354 520 W HA -0.213 4.448 4.660 0.002 0.000 0.315 520 W C 2.126 178.814 176.519 0.281 0.000 1.206 520 W CA 0.859 58.395 57.345 0.319 0.000 1.290 520 W CB -0.564 29.030 29.460 0.223 0.000 1.152 520 W HN -0.177 nan 8.180 nan 0.000 0.489 521 V N 0.461 120.620 119.914 0.408 0.000 2.332 521 V HA -0.346 3.776 4.120 0.003 0.000 0.248 521 V C 2.202 178.112 176.094 -0.307 0.000 1.055 521 V CA 2.371 64.558 62.300 -0.189 0.000 1.038 521 V CB -0.850 30.784 31.823 -0.315 0.000 0.651 521 V HN 0.303 nan 8.190 nan 0.000 0.450 522 E N -0.618 119.546 120.200 -0.059 0.000 2.072 522 E HA -0.207 4.144 4.350 0.003 0.000 0.190 522 E C 2.238 178.839 176.600 0.001 0.000 0.982 522 E CA 1.183 57.563 56.400 -0.033 0.000 0.803 522 E CB -0.073 29.657 29.700 0.049 0.000 0.755 522 E HN 0.393 nan 8.360 nan 0.000 0.453 523 M N 0.591 120.212 119.600 0.035 0.000 2.229 523 M HA -0.021 4.460 4.480 0.003 0.000 0.264 523 M C 2.372 178.637 176.300 -0.059 0.000 1.063 523 M CA 1.153 56.384 55.300 -0.116 0.000 1.114 523 M CB -0.960 31.675 32.600 0.059 0.000 1.387 523 M HN 0.202 nan 8.290 nan 0.000 0.420 524 A N 0.021 122.911 122.820 0.116 0.000 1.978 524 A HA -0.196 4.125 4.320 0.003 0.000 0.220 524 A C 2.053 179.524 177.584 -0.188 0.000 1.170 524 A CA 1.381 53.487 52.037 0.114 0.000 0.636 524 A CB -0.612 18.294 19.000 -0.157 0.000 0.810 524 A HN 0.627 nan 8.150 nan 0.000 0.448 525 Q N -1.766 117.891 119.800 -0.238 0.000 2.297 525 Q HA -0.139 4.202 4.340 0.003 0.000 0.204 525 Q C 1.540 177.639 176.000 0.165 0.000 0.962 525 Q CA 1.558 57.317 55.803 -0.074 0.000 0.879 525 Q CB -0.089 28.647 28.738 -0.004 0.000 0.947 525 Q HN 1.125 nan 8.270 nan 0.000 0.462 526 H N -2.989 116.120 119.070 0.064 0.000 3.400 526 H HA 0.308 4.866 4.556 0.003 0.000 0.251 526 H C 0.332 175.670 175.328 0.016 0.000 1.040 526 H CA -0.420 55.659 56.048 0.052 0.000 1.175 526 H CB -0.079 29.691 29.762 0.013 0.000 1.487 526 H HN -0.092 nan 8.280 nan 0.000 0.505 527 L N 1.416 122.424 121.223 -0.358 0.000 2.452 527 L HA 0.259 4.601 4.340 0.003 0.000 0.267 527 L C 0.671 177.511 176.870 -0.051 0.000 1.188 527 L CA 0.058 54.691 54.840 -0.345 0.000 0.821 527 L CB 1.179 42.669 42.059 -0.949 0.000 1.102 527 L HN 0.341 nan 8.230 nan 0.000 0.470 528 K N -0.388 120.002 120.400 -0.016 0.000 2.474 528 K HA 0.183 4.505 4.320 0.003 0.000 0.202 528 K C -0.014 176.699 176.600 0.188 0.000 1.248 528 K CA 0.133 56.500 56.287 0.134 0.000 0.946 528 K CB 0.991 33.548 32.500 0.094 0.000 1.102 528 K HN 0.533 nan 8.250 nan 0.000 0.541 529 T N 0.412 115.046 114.554 0.133 0.000 2.885 529 T HA 0.126 4.477 4.350 0.003 0.000 0.285 529 T C 0.883 175.761 174.700 0.297 0.000 1.019 529 T CA -0.469 61.735 62.100 0.173 0.000 1.010 529 T CB 1.945 70.865 68.868 0.088 0.000 1.022 529 T HN -0.044 nan 8.240 nan 0.000 0.466 530 T N 2.181 116.903 114.554 0.281 0.000 2.699 530 T HA -0.156 4.195 4.350 0.003 0.000 0.268 530 T C 1.985 176.834 174.700 0.249 0.000 1.036 530 T CA 1.463 63.742 62.100 0.299 0.000 1.147 530 T CB -0.094 68.876 68.868 0.171 0.000 0.862 530 T HN 0.698 nan 8.240 nan 0.000 0.446 531 E N 1.640 121.925 120.200 0.143 0.000 2.208 531 E HA -0.128 4.224 4.350 0.003 0.000 0.193 531 E C 1.537 178.168 176.600 0.053 0.000 0.988 531 E CA 0.845 57.299 56.400 0.089 0.000 0.828 531 E CB -0.478 29.255 29.700 0.054 0.000 0.763 531 E HN 0.444 nan 8.360 nan 0.000 0.478 532 D N 0.511 120.921 120.400 0.016 0.000 2.144 532 D HA -0.101 4.540 4.640 0.003 0.000 0.199 532 D C 1.655 177.853 176.300 -0.170 0.000 0.984 532 D CA 0.821 54.749 54.000 -0.119 0.000 0.834 532 D CB -0.344 40.319 40.800 -0.227 0.000 0.955 532 D HN 0.200 nan 8.370 nan 0.000 0.465 533 F N 0.689 120.675 119.950 0.061 0.000 2.293 533 F HA 0.079 4.607 4.527 0.002 0.000 0.297 533 F C 2.365 178.237 175.800 0.118 0.000 1.089 533 F CA 0.517 58.582 58.000 0.109 0.000 1.377 533 F CB -0.040 39.068 39.000 0.180 0.000 1.051 533 F HN -0.209 nan 8.300 nan 0.000 0.511 534 R N -0.694 119.945 120.500 0.233 0.000 2.280 534 R HA -0.032 4.310 4.340 0.003 0.000 0.207 534 R C 1.991 178.325 176.300 0.057 0.000 1.043 534 R CA 1.030 57.217 56.100 0.144 0.000 1.006 534 R CB -0.288 30.077 30.300 0.108 0.000 0.885 534 R HN 0.111 nan 8.270 nan 0.000 0.467 535 S N 0.108 115.808 115.700 0.001 0.000 2.458 535 S HA 0.021 4.493 4.470 0.003 0.000 0.223 535 S C 1.399 175.906 174.600 -0.154 0.000 1.019 535 S CA 0.514 58.674 58.200 -0.066 0.000 0.937 535 S CB 0.267 63.421 63.200 -0.077 0.000 0.788 535 S HN 0.220 nan 8.310 nan 0.000 0.511 536 E N -0.280 119.769 120.200 -0.252 0.000 2.364 536 E HA 0.253 4.604 4.350 0.003 0.000 0.196 536 E C -0.577 175.526 176.600 -0.829 0.000 0.990 536 E CA 0.402 56.458 56.400 -0.574 0.000 0.886 536 E CB 0.380 29.610 29.700 -0.783 0.000 0.866 536 E HN 0.379 nan 8.360 nan 0.000 0.493 537 F N -0.185 119.709 119.950 -0.093 0.000 2.611 537 F HA 0.447 4.975 4.527 0.002 0.000 0.324 537 F C 0.413 176.238 175.800 0.042 0.000 1.061 537 F CA -0.938 57.053 58.000 -0.016 0.000 0.954 537 F CB 1.424 40.413 39.000 -0.019 0.000 1.301 537 F HN -0.314 nan 8.300 nan 0.000 0.482 538 N N -0.259 118.629 118.700 0.313 0.000 2.710 538 N HA 0.361 5.103 4.740 0.003 0.000 0.257 538 N C 0.110 175.788 175.510 0.281 0.000 1.327 538 N CA -0.019 53.152 53.050 0.201 0.000 0.861 538 N CB 2.258 40.810 38.487 0.108 0.000 1.532 538 N HN 0.685 nan 8.380 nan 0.000 0.499 539 A N 1.769 124.708 122.820 0.199 0.000 2.032 539 A HA -0.148 4.173 4.320 0.003 0.000 0.221 539 A C 1.933 179.572 177.584 0.091 0.000 1.165 539 A CA 1.677 53.841 52.037 0.211 0.000 0.645 539 A CB -0.926 18.141 19.000 0.112 0.000 0.807 539 A HN 0.709 nan 8.150 nan 0.000 0.453 540 I N -3.388 117.212 120.570 0.050 0.000 3.291 540 I HA -0.077 4.095 4.170 0.003 0.000 0.279 540 I C 0.776 176.829 176.117 -0.106 0.000 1.294 540 I CA 1.193 62.471 61.300 -0.035 0.000 1.428 540 I CB -0.433 37.555 38.000 -0.020 0.000 1.070 540 I HN -0.006 nan 8.210 nan 0.000 0.478 541 D N 2.937 123.307 120.400 -0.050 0.000 2.149 541 D HA -0.172 4.470 4.640 0.003 0.000 0.198 541 D C 2.001 177.918 176.300 -0.639 0.000 0.990 541 D CA 2.157 56.056 54.000 -0.167 0.000 0.839 541 D CB -0.118 40.736 40.800 0.090 0.000 0.948 541 D HN 0.772 nan 8.370 nan 0.000 0.460 542 I N -1.937 118.159 120.570 -0.789 0.000 4.025 542 I HA 0.186 4.357 4.170 0.003 0.000 0.336 542 I C 1.714 177.405 176.117 -0.710 0.000 1.390 542 I CA -0.384 60.109 61.300 -1.344 0.000 1.099 542 I CB 0.172 37.392 38.000 -1.301 0.000 1.049 542 I HN -0.212 nan 8.210 nan 0.000 0.394 543 K N 0.606 120.774 120.400 -0.387 0.000 2.152 543 K HA -0.135 4.187 4.320 0.003 0.000 0.206 543 K C 0.431 176.959 176.600 -0.121 0.000 1.048 543 K CA 1.871 58.046 56.287 -0.188 0.000 0.933 543 K CB -0.300 32.136 32.500 -0.108 0.000 0.721 543 K HN 0.239 nan 8.250 nan 0.000 0.447 544 D N -0.087 120.246 120.400 -0.111 0.000 2.325 544 D HA 0.098 4.740 4.640 0.003 0.000 0.225 544 D C -0.797 175.596 176.300 0.156 0.000 1.096 544 D CA 0.023 54.031 54.000 0.014 0.000 0.844 544 D CB -0.032 40.779 40.800 0.018 0.000 0.925 544 D HN 0.059 nan 8.370 nan 0.000 0.513 545 F N 2.420 122.270 119.950 -0.167 0.000 2.444 545 F HA 0.160 4.689 4.527 0.003 0.000 0.360 545 F C 1.219 176.936 175.800 -0.138 0.000 1.106 545 F CA -1.765 56.121 58.000 -0.190 0.000 1.170 545 F CB -0.186 38.676 39.000 -0.231 0.000 1.113 545 F HN -0.091 nan 8.300 nan 0.000 0.521 546 N N 0.772 119.464 118.700 -0.014 0.000 2.263 546 N HA -0.010 4.732 4.740 0.003 0.000 0.239 546 N C 0.926 176.438 175.510 0.004 0.000 1.317 546 N CA 0.042 53.071 53.050 -0.035 0.000 0.909 546 N CB 0.077 38.505 38.487 -0.099 0.000 1.171 546 N HN 0.340 nan 8.380 nan 0.000 0.492 547 S N -0.247 115.461 115.700 0.014 0.000 2.353 547 S HA -0.148 4.323 4.470 0.003 0.000 0.222 547 S C 1.396 176.029 174.600 0.055 0.000 1.035 547 S CA 1.157 59.379 58.200 0.038 0.000 1.025 547 S CB -0.584 62.641 63.200 0.042 0.000 0.902 547 S HN 0.613 nan 8.310 nan 0.000 0.440 548 N N 1.357 120.103 118.700 0.077 0.000 2.205 548 N HA -0.123 4.618 4.740 0.003 0.000 0.186 548 N C 1.761 177.377 175.510 0.176 0.000 1.015 548 N CA 0.952 54.073 53.050 0.119 0.000 0.862 548 N CB -0.364 38.204 38.487 0.135 0.000 0.986 548 N HN 0.544 nan 8.380 nan 0.000 0.429 549 Q N 0.161 120.009 119.800 0.080 0.000 2.083 549 Q HA 0.068 4.409 4.340 0.003 0.000 0.198 549 Q C 2.191 178.125 176.000 -0.111 0.000 0.969 549 Q CA 0.605 56.290 55.803 -0.196 0.000 0.838 549 Q CB 0.033 28.374 28.738 -0.661 0.000 0.900 549 Q HN 0.347 nan 8.270 nan 0.000 0.436 550 L N -0.263 120.986 121.223 0.043 0.000 2.017 550 L HA -0.183 4.158 4.340 0.003 0.000 0.208 550 L C 2.342 179.280 176.870 0.115 0.000 1.073 550 L CA 0.806 55.744 54.840 0.163 0.000 0.745 550 L CB -0.450 41.676 42.059 0.110 0.000 0.894 550 L HN 0.110 nan 8.230 nan 0.000 0.432 551 V N 0.148 120.103 119.914 0.068 0.000 2.332 551 V HA -0.303 3.818 4.120 0.003 0.000 0.248 551 V C 2.331 178.458 176.094 0.055 0.000 1.055 551 V CA 1.943 64.275 62.300 0.053 0.000 1.038 551 V CB -0.363 31.499 31.823 0.065 0.000 0.651 551 V HN 0.375 nan 8.190 nan 0.000 0.450 552 L N -1.039 120.234 121.223 0.083 0.000 2.240 552 L HA -0.017 4.325 4.340 0.003 0.000 0.211 552 L C 2.017 178.967 176.870 0.135 0.000 1.106 552 L CA 1.527 56.430 54.840 0.104 0.000 0.793 552 L CB -0.534 41.605 42.059 0.133 0.000 0.927 552 L HN 0.321 nan 8.230 nan 0.000 0.446 553 F N -0.037 119.884 119.950 -0.049 0.000 2.128 553 F HA -0.123 4.406 4.527 0.003 0.000 0.295 553 F C 1.881 177.618 175.800 -0.105 0.000 1.100 553 F CA 1.766 59.737 58.000 -0.048 0.000 1.260 553 F CB -0.515 38.474 39.000 -0.018 0.000 1.009 553 F HN 0.031 nan 8.300 nan 0.000 0.476 554 L N 0.163 121.154 121.223 -0.387 0.000 2.046 554 L HA -0.177 4.165 4.340 0.003 0.000 0.208 554 L C 2.471 179.157 176.870 -0.306 0.000 1.077 554 L CA 1.752 56.266 54.840 -0.543 0.000 0.747 554 L CB -0.852 40.980 42.059 -0.378 0.000 0.896 554 L HN 0.174 nan 8.230 nan 0.000 0.432 555 E N 0.160 120.284 120.200 -0.126 0.000 2.077 555 E HA -0.182 4.169 4.350 0.003 0.000 0.193 555 E C 2.001 178.603 176.600 0.003 0.000 0.989 555 E CA 2.066 58.437 56.400 -0.049 0.000 0.800 555 E CB -0.233 29.484 29.700 0.029 0.000 0.746 555 E HN 0.295 nan 8.360 nan 0.000 0.452 556 T N 1.069 115.659 114.554 0.060 0.000 2.788 556 T HA -0.075 4.276 4.350 0.003 0.000 0.268 556 T C 1.848 176.635 174.700 0.144 0.000 1.044 556 T CA 1.260 63.460 62.100 0.167 0.000 1.139 556 T CB -0.266 68.791 68.868 0.315 0.000 0.867 556 T HN 0.118 nan 8.240 nan 0.000 0.454 557 L N 1.343 122.554 121.223 -0.019 0.000 2.012 557 L HA -0.141 4.201 4.340 0.003 0.000 0.210 557 L C 3.081 180.150 176.870 0.331 0.000 1.073 557 L CA 1.769 56.642 54.840 0.056 0.000 0.748 557 L CB -1.213 40.521 42.059 -0.542 0.000 0.891 557 L HN 0.442 nan 8.230 nan 0.000 0.431 558 T N -3.507 111.133 114.554 0.142 0.000 3.007 558 T HA -0.197 4.155 4.350 0.003 0.000 0.270 558 T C 1.527 176.427 174.700 0.333 0.000 1.107 558 T CA 0.876 63.098 62.100 0.203 0.000 1.118 558 T CB -0.169 68.485 68.868 -0.357 0.000 0.889 558 T HN 0.405 nan 8.240 nan 0.000 0.506 559 Q N 0.620 120.580 119.800 0.267 0.000 2.320 559 Q HA 0.214 4.556 4.340 0.003 0.000 0.201 559 Q C -0.189 175.988 176.000 0.294 0.000 0.910 559 Q CA -0.364 55.596 55.803 0.262 0.000 0.946 559 Q CB 0.170 29.017 28.738 0.181 0.000 1.062 559 Q HN 0.443 nan 8.270 nan 0.000 0.503 560 N N 0.124 119.076 118.700 0.420 0.000 2.776 560 N HA -0.164 4.577 4.740 0.003 0.000 0.249 560 N C -0.085 175.528 175.510 0.171 0.000 1.111 560 N CA 1.225 54.491 53.050 0.360 0.000 0.711 560 N CB -1.514 37.179 38.487 0.344 0.000 1.065 560 N HN 0.553 nan 8.380 nan 0.000 0.556 561 G N -1.532 107.406 108.800 0.230 0.000 2.592 561 G HA2 -0.214 3.748 3.960 0.003 0.000 0.684 561 G HA3 -0.214 3.748 3.960 0.003 0.000 0.684 561 G C 0.007 175.011 174.900 0.174 0.000 1.291 561 G CA 0.138 45.356 45.100 0.196 0.000 0.891 561 G HN 0.369 nan 8.290 nan 0.000 0.544 562 H N 0.108 119.202 119.070 0.040 0.000 2.545 562 H HA 0.249 4.806 4.556 0.003 0.000 0.283 562 H C 1.563 176.840 175.328 -0.085 0.000 0.997 562 H CA 0.960 56.942 56.048 -0.110 0.000 1.269 562 H CB 0.209 29.762 29.762 -0.348 0.000 1.451 562 H HN 0.530 nan 8.280 nan 0.000 0.508 563 S N 2.555 118.250 115.700 -0.009 0.000 2.563 563 S HA -0.059 4.412 4.470 0.003 0.000 0.294 563 S C 1.056 175.606 174.600 -0.084 0.000 1.279 563 S CA -0.289 57.883 58.200 -0.045 0.000 1.069 563 S CB 0.525 63.740 63.200 0.025 0.000 0.828 563 S HN 0.443 nan 8.310 nan 0.000 0.497 564 N N 2.315 120.952 118.700 -0.105 0.000 2.453 564 N HA -0.067 4.675 4.740 0.003 0.000 0.183 564 N C 0.336 175.830 175.510 -0.028 0.000 1.041 564 N CA 0.678 53.686 53.050 -0.070 0.000 0.900 564 N CB 0.018 38.464 38.487 -0.068 0.000 0.961 564 N HN 0.549 nan 8.380 nan 0.000 0.443 565 K N 1.703 122.091 120.400 -0.019 0.000 3.245 565 K HA 0.053 4.374 4.320 0.003 0.000 0.285 565 K C -0.064 176.532 176.600 -0.007 0.000 1.156 565 K CA 0.254 56.538 56.287 -0.005 0.000 1.162 565 K CB -0.279 32.223 32.500 0.002 0.000 1.365 565 K HN 0.195 nan 8.250 nan 0.000 0.316 566 K N 1.567 121.963 120.400 -0.006 0.000 2.126 566 K HA 0.202 4.524 4.320 0.003 0.000 0.257 566 K C -2.279 174.323 176.600 0.002 0.000 1.007 566 K CA -1.651 54.630 56.287 -0.011 0.000 0.928 566 K CB 0.079 32.589 32.500 0.016 0.000 1.013 566 K HN 0.032 nan 8.250 nan 0.000 0.473 567 P HA 0.029 nan 4.420 nan 0.000 0.276 567 P C -0.338 177.026 177.300 0.107 0.000 1.230 567 P CA -0.392 62.735 63.100 0.045 0.000 0.776 567 P CB 0.856 32.580 31.700 0.040 0.000 0.888 568 K N 1.347 121.804 120.400 0.095 0.000 2.001 568 K HA -0.100 4.222 4.320 0.003 0.000 0.208 568 K C 0.425 177.093 176.600 0.113 0.000 1.048 568 K CA 1.384 57.724 56.287 0.090 0.000 0.932 568 K CB -0.383 32.156 32.500 0.065 0.000 0.715 568 K HN 0.199 nan 8.250 nan 0.000 0.437 569 D N -0.038 120.439 120.400 0.129 0.000 2.342 569 D HA 0.079 4.721 4.640 0.003 0.000 0.221 569 D C -0.593 175.800 176.300 0.156 0.000 1.101 569 D CA -0.176 53.893 54.000 0.115 0.000 0.837 569 D CB -0.223 40.629 40.800 0.086 0.000 0.938 569 D HN 0.084 nan 8.370 nan 0.000 0.508 570 F N 2.060 122.048 119.950 0.064 0.000 2.529 570 F HA 0.211 4.740 4.527 0.002 0.000 0.365 570 F C 0.170 176.012 175.800 0.070 0.000 1.102 570 F CA 0.033 58.077 58.000 0.072 0.000 1.271 570 F CB 0.685 39.662 39.000 -0.038 0.000 1.120 570 F HN -0.265 nan 8.300 nan 0.000 0.579 571 D N 5.097 125.047 120.400 -0.751 0.000 2.591 571 D HA 0.045 4.687 4.640 0.003 0.000 0.222 571 D C -0.069 175.896 176.300 -0.559 0.000 1.360 571 D CA -0.548 53.188 54.000 -0.440 0.000 0.967 571 D CB 0.135 40.822 40.800 -0.188 0.000 1.456 571 D HN 0.629 nan 8.370 nan 0.000 0.588 572 W N 3.131 124.227 121.300 -0.339 0.000 2.331 572 W HA -0.179 4.483 4.660 0.003 0.000 0.291 572 W C 2.336 178.810 176.519 -0.075 0.000 1.214 572 W CA 1.404 58.683 57.345 -0.110 0.000 1.228 572 W CB -0.066 29.409 29.460 0.024 0.000 1.135 572 W HN 0.656 nan 8.180 nan 0.000 0.537 573 A N 0.092 122.953 122.820 0.068 0.000 1.978 573 A HA -0.211 4.110 4.320 0.003 0.000 0.220 573 A C 1.870 179.401 177.584 -0.088 0.000 1.170 573 A CA 1.513 53.543 52.037 -0.011 0.000 0.636 573 A CB -0.450 18.521 19.000 -0.048 0.000 0.810 573 A HN 0.059 nan 8.150 nan 0.000 0.448 574 K N -1.167 119.099 120.400 -0.223 0.000 2.525 574 K HA 0.115 4.437 4.320 0.003 0.000 0.192 574 K C -0.715 175.442 176.600 -0.739 0.000 1.029 574 K CA 0.356 56.337 56.287 -0.509 0.000 1.029 574 K CB -0.238 31.817 32.500 -0.740 0.000 0.814 574 K HN 0.546 nan 8.250 nan 0.000 0.503 575 F N 0.892 120.833 119.950 -0.015 0.000 2.564 575 F HA 0.230 4.758 4.527 0.002 0.000 0.329 575 F C -1.675 174.213 175.800 0.147 0.000 1.458 575 F CA -1.952 56.101 58.000 0.089 0.000 1.117 575 F CB 1.382 40.452 39.000 0.117 0.000 1.383 575 F HN -0.135 nan 8.300 nan 0.000 0.571 576 P HA -0.093 nan 4.420 nan 0.000 0.221 576 P C 1.705 179.074 177.300 0.116 0.000 1.150 576 P CA 0.945 64.114 63.100 0.114 0.000 0.800 576 P CB 0.565 32.286 31.700 0.036 0.000 0.787 577 V N 1.181 121.189 119.914 0.157 0.000 2.261 577 V HA -0.251 3.870 4.120 0.003 0.000 0.246 577 V C 2.832 178.949 176.094 0.038 0.000 1.047 577 V CA 2.305 64.696 62.300 0.151 0.000 1.015 577 V CB -1.712 30.264 31.823 0.255 0.000 0.642 577 V HN 0.113 nan 8.190 nan 0.000 0.446 578 A N 0.832 123.687 122.820 0.058 0.000 1.859 578 A HA -0.288 4.034 4.320 0.003 0.000 0.217 578 A C 2.605 180.160 177.584 -0.048 0.000 1.198 578 A CA 3.018 54.891 52.037 -0.272 0.000 0.629 578 A CB -1.080 18.112 19.000 0.320 0.000 0.830 578 A HN 0.702 nan 8.150 nan 0.000 0.446 579 S N -0.285 115.525 115.700 0.184 0.000 2.383 579 S HA -0.169 4.303 4.470 0.003 0.000 0.227 579 S C 1.972 176.532 174.600 -0.066 0.000 1.026 579 S CA 1.264 59.492 58.200 0.048 0.000 0.981 579 S CB -0.484 62.739 63.200 0.037 0.000 0.818 579 S HN 0.600 nan 8.310 nan 0.000 0.472 580 R N 1.043 121.516 120.500 -0.046 0.000 2.189 580 R HA 0.204 4.545 4.340 0.003 0.000 0.218 580 R C 2.576 178.828 176.300 -0.079 0.000 1.074 580 R CA 0.976 57.043 56.100 -0.055 0.000 0.991 580 R CB -0.517 29.771 30.300 -0.021 0.000 0.883 580 R HN 0.607 nan 8.270 nan 0.000 0.457 581 A N 1.192 123.949 122.820 -0.104 0.000 1.930 581 A HA -0.052 4.269 4.320 0.003 0.000 0.215 581 A C 2.076 179.575 177.584 -0.142 0.000 1.176 581 A CA 0.451 52.451 52.037 -0.062 0.000 0.632 581 A CB -0.326 18.655 19.000 -0.032 0.000 0.819 581 A HN 0.265 nan 8.150 nan 0.000 0.445 582 L N -0.212 120.762 121.223 -0.414 0.000 2.012 582 L HA -0.190 4.152 4.340 0.003 0.000 0.210 582 L C 2.333 178.888 176.870 -0.526 0.000 1.073 582 L CA 1.622 55.905 54.840 -0.928 0.000 0.748 582 L CB -0.232 40.932 42.059 -1.492 0.000 0.891 582 L HN 0.430 nan 8.230 nan 0.000 0.431 583 L N -0.766 120.273 121.223 -0.306 0.000 2.109 583 L HA -0.191 4.151 4.340 0.003 0.000 0.207 583 L C 2.163 178.957 176.870 -0.126 0.000 1.086 583 L CA 1.306 56.040 54.840 -0.176 0.000 0.760 583 L CB -0.659 41.332 42.059 -0.113 0.000 0.910 583 L HN 0.330 nan 8.230 nan 0.000 0.437 584 D N 0.634 120.964 120.400 -0.117 0.000 2.103 584 D HA -0.142 4.499 4.640 0.003 0.000 0.199 584 D C 2.198 178.458 176.300 -0.067 0.000 0.978 584 D CA 1.192 55.151 54.000 -0.068 0.000 0.829 584 D CB 0.068 40.847 40.800 -0.035 0.000 0.981 584 D HN 0.209 nan 8.370 nan 0.000 0.464 585 I N -0.499 119.996 120.570 -0.125 0.000 2.286 585 I HA -0.231 3.940 4.170 0.003 0.000 0.248 585 I C 0.757 176.821 176.117 -0.089 0.000 1.115 585 I CA 0.791 62.008 61.300 -0.139 0.000 1.392 585 I CB -0.144 37.726 38.000 -0.216 0.000 1.065 585 I HN 0.097 nan 8.210 nan 0.000 0.418 586 Y N 1.856 122.142 120.300 -0.023 0.000 2.746 586 Y HA 0.093 4.644 4.550 0.002 0.000 0.312 586 Y C 1.973 177.824 175.900 -0.081 0.000 1.117 586 Y CA -0.904 57.161 58.100 -0.059 0.000 1.324 586 Y CB -1.217 37.190 38.460 -0.088 0.000 1.173 586 Y HN 0.332 nan 8.280 nan 0.000 0.529 587 Q N -0.999 118.829 119.800 0.047 0.000 2.119 587 Q HA -0.162 4.179 4.340 0.003 0.000 0.201 587 Q C 0.690 176.681 176.000 -0.014 0.000 0.972 587 Q CA 1.915 57.711 55.803 -0.011 0.000 0.847 587 Q CB -0.045 28.676 28.738 -0.028 0.000 0.903 587 Q HN 0.165 nan 8.270 nan 0.000 0.433 588 D N 0.860 121.264 120.400 0.007 0.000 2.117 588 D HA -0.086 4.555 4.640 0.003 0.000 0.198 588 D C 1.515 177.805 176.300 -0.017 0.000 0.982 588 D CA 1.038 55.034 54.000 -0.007 0.000 0.828 588 D CB -0.125 40.677 40.800 0.003 0.000 0.967 588 D HN 0.345 nan 8.370 nan 0.000 0.464 589 N N -0.401 118.290 118.700 -0.016 0.000 2.409 589 N HA 0.105 4.847 4.740 0.003 0.000 0.174 589 N C 1.791 177.273 175.510 -0.046 0.000 1.037 589 N CA 0.201 53.231 53.050 -0.034 0.000 0.898 589 N CB 0.903 39.355 38.487 -0.059 0.000 1.010 589 N HN 0.252 nan 8.380 nan 0.000 0.445 590 I N -0.187 120.354 120.570 -0.049 0.000 2.962 590 I HA -0.040 4.132 4.170 0.003 0.000 0.246 590 I C 1.970 178.004 176.117 -0.138 0.000 1.091 590 I CA 0.335 61.583 61.300 -0.088 0.000 1.469 590 I CB -0.061 37.891 38.000 -0.080 0.000 1.324 590 I HN -0.221 nan 8.210 nan 0.000 0.461 591 V N 1.077 120.915 119.914 -0.126 0.000 2.515 591 V HA -0.218 3.903 4.120 0.003 0.000 0.250 591 V C 1.962 177.958 176.094 -0.163 0.000 1.058 591 V CA 1.772 63.969 62.300 -0.171 0.000 1.064 591 V CB -0.655 31.086 31.823 -0.138 0.000 0.675 591 V HN 0.342 nan 8.190 nan 0.000 0.461 592 K N -0.115 120.219 120.400 -0.111 0.000 2.374 592 K HA 0.152 4.473 4.320 0.003 0.000 0.196 592 K C 0.965 177.518 176.600 -0.077 0.000 1.023 592 K CA -0.010 56.222 56.287 -0.092 0.000 1.103 592 K CB 0.383 32.844 32.500 -0.064 0.000 0.848 592 K HN 0.337 nan 8.250 nan 0.000 0.528 593 S N 1.331 116.980 115.700 -0.085 0.000 2.537 593 S HA -0.034 4.437 4.470 0.003 0.000 0.286 593 S C 0.646 175.212 174.600 -0.057 0.000 1.299 593 S CA 0.018 58.183 58.200 -0.058 0.000 1.067 593 S CB 0.574 63.733 63.200 -0.070 0.000 0.864 593 S HN 0.233 nan 8.310 nan 0.000 0.494 594 Q N 2.367 122.174 119.800 0.012 0.000 2.198 594 Q HA 0.163 4.505 4.340 0.003 0.000 0.209 594 Q C -0.118 175.938 176.000 0.094 0.000 0.848 594 Q CA -0.352 55.492 55.803 0.069 0.000 0.974 594 Q CB 0.171 29.004 28.738 0.159 0.000 1.115 594 Q HN 0.628 nan 8.270 nan 0.000 0.494 595 N N 0.913 119.640 118.700 0.046 0.000 2.452 595 N HA 0.064 4.806 4.740 0.003 0.000 0.266 595 N C 0.555 176.079 175.510 0.023 0.000 1.175 595 N CA 0.216 53.296 53.050 0.050 0.000 0.945 595 N CB 1.388 39.900 38.487 0.040 0.000 1.063 595 N HN 0.169 nan 8.380 nan 0.000 0.472 596 A N 4.725 127.588 122.820 0.071 0.000 1.972 596 A HA -0.130 4.191 4.320 0.003 0.000 0.219 596 A C 1.738 179.217 177.584 -0.175 0.000 1.169 596 A CA 1.148 53.176 52.037 -0.015 0.000 0.635 596 A CB -0.224 18.816 19.000 0.066 0.000 0.810 596 A HN 0.810 nan 8.150 nan 0.000 0.446 597 E N -0.225 120.022 120.200 0.077 0.000 2.150 597 E HA -0.084 4.267 4.350 0.003 0.000 0.193 597 E C 2.034 178.682 176.600 0.081 0.000 0.985 597 E CA 1.265 57.775 56.400 0.184 0.000 0.814 597 E CB -0.327 29.505 29.700 0.220 0.000 0.752 597 E HN 0.463 nan 8.360 nan 0.000 0.466 598 V N 0.912 120.820 119.914 -0.010 0.000 2.535 598 V HA -0.131 3.991 4.120 0.003 0.000 0.246 598 V C 2.495 178.465 176.094 -0.206 0.000 1.045 598 V CA 0.687 62.945 62.300 -0.071 0.000 1.058 598 V CB -0.150 31.636 31.823 -0.062 0.000 0.689 598 V HN 0.027 nan 8.190 nan 0.000 0.461 599 V N -0.118 119.618 119.914 -0.296 0.000 2.287 599 V HA -0.305 3.816 4.120 0.003 0.000 0.248 599 V C 2.205 177.911 176.094 -0.647 0.000 1.053 599 V CA 2.644 64.588 62.300 -0.594 0.000 1.027 599 V CB -0.734 30.669 31.823 -0.699 0.000 0.646 599 V HN 0.571 nan 8.190 nan 0.000 0.447 600 F N 1.157 120.772 119.950 -0.559 0.000 2.069 600 F HA -0.210 4.319 4.527 0.002 0.000 0.298 600 F C 2.465 178.190 175.800 -0.126 0.000 1.113 600 F CA 1.874 59.703 58.000 -0.285 0.000 1.214 600 F CB -0.225 38.737 39.000 -0.063 0.000 0.978 600 F HN -0.017 nan 8.300 nan 0.000 0.474 601 K N 0.108 120.488 120.400 -0.033 0.000 2.097 601 K HA -0.213 4.108 4.320 0.003 0.000 0.206 601 K C 2.216 178.672 176.600 -0.239 0.000 1.049 601 K CA 1.609 57.829 56.287 -0.112 0.000 0.933 601 K CB -0.837 31.646 32.500 -0.028 0.000 0.717 601 K HN 0.450 nan 8.250 nan 0.000 0.442 602 M N -0.074 119.336 119.600 -0.317 0.000 2.108 602 M HA -0.184 4.297 4.480 0.003 0.000 0.261 602 M C 1.617 177.733 176.300 -0.307 0.000 1.066 602 M CA 1.709 56.802 55.300 -0.346 0.000 1.107 602 M CB -0.115 32.190 32.600 -0.493 0.000 1.356 602 M HN -0.075 nan 8.290 nan 0.000 0.406 603 F N 0.825 120.570 119.950 -0.341 0.000 2.146 603 F HA -0.132 4.397 4.527 0.003 0.000 0.298 603 F C 2.555 178.172 175.800 -0.306 0.000 1.096 603 F CA 1.659 59.462 58.000 -0.329 0.000 1.275 603 F CB -0.925 37.810 39.000 -0.443 0.000 1.008 603 F HN 0.197 nan 8.300 nan 0.000 0.480 604 K N -0.413 119.829 120.400 -0.263 0.000 2.097 604 K HA -0.232 4.090 4.320 0.003 0.000 0.206 604 K C 2.227 178.723 176.600 -0.174 0.000 1.049 604 K CA 1.379 57.503 56.287 -0.272 0.000 0.933 604 K CB -0.482 31.778 32.500 -0.401 0.000 0.717 604 K HN 0.231 nan 8.250 nan 0.000 0.442 605 F N 2.006 121.773 119.950 -0.306 0.000 2.206 605 F HA -0.108 4.420 4.527 0.003 0.000 0.298 605 F C 2.086 177.808 175.800 -0.130 0.000 1.090 605 F CA 1.384 59.207 58.000 -0.295 0.000 1.323 605 F CB -0.120 38.625 39.000 -0.426 0.000 1.028 605 F HN 0.096 nan 8.300 nan 0.000 0.492 606 Q N 0.028 119.721 119.800 -0.177 0.000 2.050 606 Q HA -0.183 4.159 4.340 0.003 0.000 0.202 606 Q C 2.204 178.195 176.000 -0.015 0.000 0.980 606 Q CA 1.799 57.508 55.803 -0.156 0.000 0.840 606 Q CB -0.218 28.541 28.738 0.036 0.000 0.898 606 Q HN 0.361 nan 8.270 nan 0.000 0.424 607 I N -0.115 120.517 120.570 0.104 0.000 2.264 607 I HA -0.229 3.942 4.170 0.003 0.000 0.248 607 I C 1.944 178.144 176.117 0.139 0.000 1.111 607 I CA 1.462 62.845 61.300 0.139 0.000 1.382 607 I CB -1.055 36.986 38.000 0.069 0.000 1.060 607 I HN 0.140 nan 8.210 nan 0.000 0.418 608 F N 1.270 121.141 119.950 -0.131 0.000 2.259 608 F HA 0.038 4.567 4.527 0.003 0.000 0.298 608 F C 2.468 178.193 175.800 -0.125 0.000 1.088 608 F CA 0.941 58.883 58.000 -0.097 0.000 1.358 608 F CB -0.661 38.306 39.000 -0.055 0.000 1.040 608 F HN 0.010 nan 8.300 nan 0.000 0.505 609 A N -0.549 122.182 122.820 -0.148 0.000 2.251 609 A HA 0.054 4.375 4.320 0.003 0.000 0.209 609 A C 1.038 178.582 177.584 -0.067 0.000 1.187 609 A CA -0.010 51.919 52.037 -0.179 0.000 0.823 609 A CB -0.751 17.907 19.000 -0.571 0.000 0.846 609 A HN 0.313 nan 8.150 nan 0.000 0.486 610 K N -0.628 119.777 120.400 0.009 0.000 3.156 610 K HA -0.162 4.159 4.320 0.003 0.000 0.266 610 K C -0.912 175.702 176.600 0.023 0.000 0.966 610 K CA 0.463 56.818 56.287 0.112 0.000 0.719 610 K CB -1.696 30.843 32.500 0.065 0.000 1.333 610 K HN 0.549 nan 8.250 nan 0.000 0.468 611 L N 1.738 122.943 121.223 -0.031 0.000 2.375 611 L HA 0.046 4.387 4.340 0.003 0.000 0.276 611 L C 1.652 178.260 176.870 -0.437 0.000 1.162 611 L CA -0.212 54.532 54.840 -0.159 0.000 0.991 611 L CB 0.411 42.401 42.059 -0.115 0.000 1.315 611 L HN 0.239 nan 8.230 nan 0.000 0.431 612 Q N 1.289 120.720 119.800 -0.616 0.000 2.197 612 Q HA -0.219 4.122 4.340 0.003 0.000 0.207 612 Q C 1.852 177.357 176.000 -0.825 0.000 0.984 612 Q CA 1.769 56.878 55.803 -1.156 0.000 0.869 612 Q CB 0.065 28.480 28.738 -0.537 0.000 0.906 612 Q HN 0.668 nan 8.270 nan 0.000 0.426 613 E N 0.594 120.548 120.200 -0.411 0.000 2.347 613 E HA -0.183 4.169 4.350 0.003 0.000 0.196 613 E C 0.963 177.462 176.600 -0.168 0.000 1.008 613 E CA 0.866 57.125 56.400 -0.236 0.000 0.852 613 E CB 0.070 29.698 29.700 -0.120 0.000 0.783 613 E HN 0.389 nan 8.360 nan 0.000 0.505 614 E N 0.329 120.450 120.200 -0.131 0.000 2.250 614 E HA -0.041 4.310 4.350 0.003 0.000 0.192 614 E C 1.765 178.465 176.600 0.167 0.000 0.986 614 E CA 0.295 56.765 56.400 0.116 0.000 0.849 614 E CB -0.448 29.368 29.700 0.194 0.000 0.797 614 E HN 0.327 nan 8.360 nan 0.000 0.482 615 Y N 2.536 122.820 120.300 -0.026 0.000 2.181 615 Y HA -0.263 4.288 4.550 0.003 0.000 0.284 615 Y C 2.213 178.054 175.900 -0.097 0.000 1.179 615 Y CA 1.225 59.287 58.100 -0.063 0.000 1.179 615 Y CB -1.087 37.341 38.460 -0.053 0.000 0.973 615 Y HN 0.192 nan 8.280 nan 0.000 0.519 616 K N -0.518 119.882 120.400 -0.001 0.000 2.097 616 K HA -0.180 4.142 4.320 0.003 0.000 0.205 616 K C 1.585 178.150 176.600 -0.057 0.000 1.050 616 K CA 2.028 58.268 56.287 -0.078 0.000 0.938 616 K CB -0.861 31.532 32.500 -0.179 0.000 0.718 616 K HN 0.421 nan 8.250 nan 0.000 0.442 617 H N 0.617 119.741 119.070 0.091 0.000 2.428 617 H HA -0.033 4.524 4.556 0.003 0.000 0.296 617 H C 2.079 177.382 175.328 -0.042 0.000 1.062 617 H CA 0.981 57.109 56.048 0.134 0.000 1.350 617 H CB 0.094 30.005 29.762 0.249 0.000 1.403 617 H HN 0.111 nan 8.280 nan 0.000 0.533 618 L N 0.911 121.955 121.223 -0.297 0.000 2.056 618 L HA -0.027 4.315 4.340 0.003 0.000 0.207 618 L C 2.318 178.995 176.870 -0.321 0.000 1.078 618 L CA 1.724 55.971 54.840 -0.988 0.000 0.749 618 L CB -0.818 40.720 42.059 -0.868 0.000 0.901 618 L HN 0.196 nan 8.230 nan 0.000 0.433 619 A N -0.639 122.110 122.820 -0.118 0.000 1.898 619 A HA -0.186 4.135 4.320 0.003 0.000 0.216 619 A C 1.993 179.655 177.584 0.130 0.000 1.181 619 A CA 1.779 53.819 52.037 0.005 0.000 0.620 619 A CB -0.824 18.213 19.000 0.061 0.000 0.819 619 A HN 0.543 nan 8.150 nan 0.000 0.442 620 D N -1.565 118.930 120.400 0.157 0.000 2.144 620 D HA -0.160 4.482 4.640 0.003 0.000 0.200 620 D C 1.573 177.955 176.300 0.136 0.000 0.978 620 D CA 1.131 55.263 54.000 0.220 0.000 0.833 620 D CB -0.427 40.512 40.800 0.232 0.000 0.961 620 D HN 0.739 nan 8.370 nan 0.000 0.470 621 W N 1.674 122.949 121.300 -0.042 0.000 2.363 621 W HA -0.070 4.592 4.660 0.002 0.000 0.296 621 W C 1.849 178.302 176.519 -0.110 0.000 1.212 621 W CA 0.886 58.206 57.345 -0.042 0.000 1.260 621 W CB -0.391 29.090 29.460 0.034 0.000 1.131 621 W HN -0.106 nan 8.180 nan 0.000 0.530 622 L N 0.538 121.668 121.223 -0.155 0.000 2.447 622 L HA -0.087 4.255 4.340 0.003 0.000 0.225 622 L C 2.290 178.939 176.870 -0.368 0.000 1.148 622 L CA 1.150 55.814 54.840 -0.294 0.000 0.808 622 L CB -1.147 40.750 42.059 -0.271 0.000 0.928 622 L HN 0.241 nan 8.230 nan 0.000 0.448 623 G N -1.521 106.812 108.800 -0.778 0.000 3.042 623 G HA2 -0.077 3.884 3.960 0.003 0.000 0.212 623 G HA3 -0.077 3.884 3.960 0.003 0.000 0.212 623 G C 1.373 175.838 174.900 -0.724 0.000 1.166 623 G CA 0.773 44.957 45.100 -1.526 0.000 0.767 623 G HN 0.404 nan 8.290 nan 0.000 0.546 624 T N -2.109 112.138 114.554 -0.511 0.000 3.044 624 T HA 0.376 4.727 4.350 0.003 0.000 0.260 624 T C 0.444 174.947 174.700 -0.327 0.000 1.019 624 T CA 0.433 62.326 62.100 -0.345 0.000 0.921 624 T CB 0.248 68.956 68.868 -0.267 0.000 1.053 624 T HN 0.395 nan 8.240 nan 0.000 0.533 625 V N -2.408 117.264 119.914 -0.405 0.000 2.914 625 V HA 0.949 5.070 4.120 0.003 0.000 0.314 625 V C 0.847 176.905 176.094 -0.060 0.000 1.084 625 V CA -0.364 61.775 62.300 -0.270 0.000 0.963 625 V CB 1.568 33.088 31.823 -0.505 0.000 1.025 625 V HN 0.086 nan 8.190 nan 0.000 0.432 626 G N 1.389 110.199 108.800 0.017 0.000 2.833 626 G HA2 0.159 4.120 3.960 0.003 0.000 0.214 626 G HA3 0.159 4.120 3.960 0.003 0.000 0.214 626 G C 0.613 175.490 174.900 -0.038 0.000 1.075 626 G CA -0.537 44.596 45.100 0.055 0.000 0.799 626 G HN 0.632 nan 8.290 nan 0.000 0.541 627 R N 1.092 121.579 120.500 -0.022 0.000 2.484 627 R HA 0.146 4.487 4.340 0.003 0.000 0.293 627 R C 1.442 177.637 176.300 -0.174 0.000 1.023 627 R CA -0.432 55.596 56.100 -0.120 0.000 1.037 627 R CB 0.641 30.860 30.300 -0.135 0.000 0.951 627 R HN 0.067 nan 8.270 nan 0.000 0.418 628 M N 2.764 122.236 119.600 -0.213 0.000 2.089 628 M HA -0.307 4.175 4.480 0.003 0.000 0.257 628 M C 2.008 178.190 176.300 -0.196 0.000 1.071 628 M CA 1.955 57.149 55.300 -0.176 0.000 1.096 628 M CB -0.789 31.720 32.600 -0.152 0.000 1.330 628 M HN 0.562 nan 8.290 nan 0.000 0.403 629 K N -0.573 119.636 120.400 -0.319 0.000 2.173 629 K HA -0.220 4.101 4.320 0.003 0.000 0.207 629 K C 1.478 177.766 176.600 -0.521 0.000 1.046 629 K CA 1.755 57.757 56.287 -0.475 0.000 0.929 629 K CB -0.013 32.074 32.500 -0.690 0.000 0.720 629 K HN 0.172 nan 8.250 nan 0.000 0.453 630 F N -0.803 119.041 119.950 -0.177 0.000 2.490 630 F HA 0.084 4.613 4.527 0.003 0.000 0.280 630 F C 2.167 177.980 175.800 0.023 0.000 1.030 630 F CA -0.152 57.764 58.000 -0.139 0.000 1.367 630 F CB -0.701 38.348 39.000 0.081 0.000 1.131 630 F HN -0.258 nan 8.300 nan 0.000 0.632 631 V N 0.930 120.925 119.914 0.135 0.000 2.255 631 V HA -0.298 3.824 4.120 0.003 0.000 0.247 631 V C 2.638 178.829 176.094 0.163 0.000 1.051 631 V CA 2.313 64.650 62.300 0.061 0.000 1.018 631 V CB -0.611 31.117 31.823 -0.158 0.000 0.641 631 V HN 0.230 nan 8.190 nan 0.000 0.445 632 R N 0.142 120.688 120.500 0.075 0.000 2.070 632 R HA -0.134 4.208 4.340 0.003 0.000 0.233 632 R C 0.045 176.440 176.300 0.158 0.000 1.137 632 R CA 2.049 58.203 56.100 0.090 0.000 0.945 632 R CB -1.336 28.965 30.300 0.003 0.000 0.845 632 R HN 0.449 nan 8.270 nan 0.000 0.430 633 P HA -0.041 nan 4.420 nan 0.000 0.218 633 P C 1.067 178.600 177.300 0.388 0.000 1.149 633 P CA 1.573 64.828 63.100 0.259 0.000 0.817 633 P CB -0.322 31.530 31.700 0.254 0.000 0.785 634 G N -0.685 108.393 108.800 0.464 0.000 2.529 634 G HA2 -0.312 3.649 3.960 0.003 0.000 0.219 634 G HA3 -0.312 3.649 3.960 0.003 0.000 0.219 634 G C 1.265 176.223 174.900 0.097 0.000 1.177 634 G CA 0.904 46.218 45.100 0.357 0.000 0.773 634 G HN 0.245 nan 8.290 nan 0.000 0.573 635 Y N 0.193 120.571 120.300 0.130 0.000 2.293 635 Y HA 0.059 4.610 4.550 0.003 0.000 0.291 635 Y C 3.061 178.982 175.900 0.035 0.000 1.137 635 Y CA 1.169 59.308 58.100 0.065 0.000 1.202 635 Y CB -0.084 38.389 38.460 0.022 0.000 0.990 635 Y HN 0.046 nan 8.280 nan 0.000 0.537 636 R N 0.073 120.688 120.500 0.191 0.000 2.073 636 R HA -0.163 4.178 4.340 0.003 0.000 0.234 636 R C 2.111 178.463 176.300 0.087 0.000 1.134 636 R CA 1.337 57.509 56.100 0.121 0.000 0.952 636 R CB -0.555 29.817 30.300 0.120 0.000 0.850 636 R HN 0.342 nan 8.270 nan 0.000 0.433 637 L N 0.464 121.752 121.223 0.107 0.000 1.951 637 L HA -0.301 4.040 4.340 0.003 0.000 0.222 637 L C 2.478 179.316 176.870 -0.052 0.000 1.078 637 L CA 1.280 56.153 54.840 0.054 0.000 0.778 637 L CB -0.708 41.374 42.059 0.038 0.000 0.893 637 L HN 0.256 nan 8.230 nan 0.000 0.436 638 L N 0.716 121.892 121.223 -0.079 0.000 1.991 638 L HA -0.325 4.016 4.340 0.003 0.000 0.221 638 L C 2.238 179.037 176.870 -0.118 0.000 1.079 638 L CA 2.456 57.208 54.840 -0.147 0.000 0.778 638 L CB -1.060 40.938 42.059 -0.101 0.000 0.893 638 L HN 0.364 nan 8.230 nan 0.000 0.437 639 N N -0.984 117.704 118.700 -0.019 0.000 2.258 639 N HA -0.216 4.525 4.740 0.003 0.000 0.187 639 N C 1.843 177.321 175.510 -0.054 0.000 1.012 639 N CA 1.462 54.505 53.050 -0.012 0.000 0.870 639 N CB -0.243 38.258 38.487 0.024 0.000 0.977 639 N HN 0.636 nan 8.380 nan 0.000 0.434 640 S N -1.341 114.313 115.700 -0.078 0.000 2.522 640 S HA -0.024 4.448 4.470 0.003 0.000 0.227 640 S C 1.544 176.062 174.600 -0.138 0.000 0.986 640 S CA 0.933 59.077 58.200 -0.094 0.000 0.929 640 S CB -0.148 62.998 63.200 -0.090 0.000 0.769 640 S HN 0.256 nan 8.310 nan 0.000 0.529 641 V N -3.380 116.408 119.914 -0.209 0.000 3.497 641 V HA 0.489 4.611 4.120 0.003 0.000 0.272 641 V C -0.150 175.831 176.094 -0.189 0.000 1.474 641 V CA 0.232 62.377 62.300 -0.258 0.000 1.025 641 V CB 0.378 31.870 31.823 -0.552 0.000 0.820 641 V HN 0.308 nan 8.190 nan 0.000 0.437 642 D N 0.578 120.878 120.400 -0.167 0.000 2.752 642 D HA 0.241 4.883 4.640 0.003 0.000 0.242 642 D C 1.010 177.295 176.300 -0.025 0.000 1.295 642 D CA -0.159 53.809 54.000 -0.054 0.000 0.846 642 D CB 1.259 42.051 40.800 -0.013 0.000 1.454 642 D HN 0.154 nan 8.370 nan 0.000 0.535 643 R N 1.609 122.102 120.500 -0.012 0.000 2.105 643 R HA -0.105 4.236 4.340 0.003 0.000 0.239 643 R C 2.040 178.358 176.300 0.031 0.000 1.135 643 R CA 1.366 57.470 56.100 0.007 0.000 0.967 643 R CB 0.176 30.477 30.300 0.002 0.000 0.861 643 R HN 0.246 nan 8.270 nan 0.000 0.442 644 R N 0.274 120.791 120.500 0.030 0.000 2.070 644 R HA -0.156 4.186 4.340 0.003 0.000 0.233 644 R C 2.199 178.532 176.300 0.055 0.000 1.137 644 R CA 1.599 57.722 56.100 0.039 0.000 0.945 644 R CB -0.459 29.859 30.300 0.030 0.000 0.845 644 R HN 0.289 nan 8.270 nan 0.000 0.430 645 L N 1.085 122.342 121.223 0.057 0.000 2.079 645 L HA -0.062 4.279 4.340 0.003 0.000 0.210 645 L C 2.256 179.192 176.870 0.110 0.000 1.081 645 L CA 2.061 56.944 54.840 0.073 0.000 0.752 645 L CB -0.902 41.200 42.059 0.072 0.000 0.896 645 L HN 0.321 nan 8.230 nan 0.000 0.433 646 A N -0.403 122.484 122.820 0.111 0.000 1.858 646 A HA -0.191 4.131 4.320 0.003 0.000 0.216 646 A C 2.267 180.009 177.584 0.264 0.000 1.190 646 A CA 2.081 54.240 52.037 0.204 0.000 0.617 646 A CB -0.954 18.138 19.000 0.154 0.000 0.827 646 A HN 0.485 nan 8.150 nan 0.000 0.443 647 L N -0.826 120.495 121.223 0.162 0.000 2.131 647 L HA -0.181 4.160 4.340 0.003 0.000 0.210 647 L C 3.025 179.999 176.870 0.173 0.000 1.092 647 L CA 1.010 55.944 54.840 0.157 0.000 0.759 647 L CB -0.490 41.622 42.059 0.089 0.000 0.903 647 L HN 0.453 nan 8.230 nan 0.000 0.435 648 A N -0.594 122.304 122.820 0.129 0.000 1.897 648 A HA -0.143 4.178 4.320 0.003 0.000 0.215 648 A C 2.374 180.012 177.584 0.089 0.000 1.181 648 A CA 2.007 54.091 52.037 0.078 0.000 0.620 648 A CB -0.766 18.260 19.000 0.044 0.000 0.821 648 A HN 0.339 nan 8.150 nan 0.000 0.443 649 T N -0.648 114.021 114.554 0.193 0.000 2.708 649 T HA -0.119 4.232 4.350 0.003 0.000 0.266 649 T C 1.627 176.578 174.700 0.420 0.000 1.037 649 T CA 1.565 63.834 62.100 0.282 0.000 1.146 649 T CB -0.401 68.705 68.868 0.398 0.000 0.865 649 T HN 0.429 nan 8.240 nan 0.000 0.435 650 F N 2.274 122.432 119.950 0.346 0.000 2.095 650 F HA -0.130 4.398 4.527 0.003 0.000 0.298 650 F C 2.102 177.949 175.800 0.078 0.000 1.104 650 F CA 1.629 59.734 58.000 0.176 0.000 1.232 650 F CB -0.686 38.262 39.000 -0.088 0.000 0.987 650 F HN 0.166 nan 8.300 nan 0.000 0.475 651 D N -0.132 120.271 120.400 0.005 0.000 2.123 651 D HA -0.266 4.376 4.640 0.003 0.000 0.196 651 D C 2.292 178.448 176.300 -0.240 0.000 0.992 651 D CA 1.743 55.658 54.000 -0.141 0.000 0.833 651 D CB -0.303 40.475 40.800 -0.036 0.000 0.954 651 D HN 0.331 nan 8.370 nan 0.000 0.455 652 K N -1.219 119.018 120.400 -0.271 0.000 2.063 652 K HA -0.135 4.186 4.320 0.003 0.000 0.208 652 K C 1.243 177.499 176.600 -0.574 0.000 1.048 652 K CA 1.299 57.286 56.287 -0.500 0.000 0.928 652 K CB -0.153 31.882 32.500 -0.775 0.000 0.713 652 K HN 0.291 nan 8.250 nan 0.000 0.442 653 F N 0.390 120.219 119.950 -0.202 0.000 2.724 653 F HA 0.147 4.676 4.527 0.003 0.000 0.306 653 F C 1.667 177.092 175.800 -0.624 0.000 1.100 653 F CA -0.489 57.295 58.000 -0.360 0.000 1.255 653 F CB 0.372 39.214 39.000 -0.264 0.000 1.072 653 F HN -0.055 nan 8.300 nan 0.000 0.589 654 K N 0.126 120.235 120.400 -0.485 0.000 2.189 654 K HA -0.242 4.079 4.320 0.003 0.000 0.207 654 K C 0.415 176.837 176.600 -0.297 0.000 1.046 654 K CA 2.247 58.150 56.287 -0.640 0.000 0.928 654 K CB -0.385 31.406 32.500 -1.182 0.000 0.720 654 K HN 0.141 nan 8.250 nan 0.000 0.458 655 D N 0.753 120.994 120.400 -0.266 0.000 2.339 655 D HA -0.006 4.636 4.640 0.003 0.000 0.217 655 D C 0.797 177.016 176.300 -0.136 0.000 1.050 655 D CA 0.998 54.908 54.000 -0.150 0.000 0.856 655 D CB 0.622 41.348 40.800 -0.122 0.000 0.922 655 D HN 0.518 nan 8.370 nan 0.000 0.518 656 T N -2.346 112.057 114.554 -0.253 0.000 3.122 656 T HA 0.085 4.436 4.350 0.003 0.000 0.250 656 T C 0.404 175.013 174.700 -0.150 0.000 1.067 656 T CA -0.236 61.735 62.100 -0.215 0.000 0.966 656 T CB -0.083 68.641 68.868 -0.240 0.000 1.002 656 T HN -0.155 nan 8.240 nan 0.000 0.542 657 Y N 1.366 121.691 120.300 0.043 0.000 2.496 657 Y HA 0.428 4.979 4.550 0.002 0.000 0.331 657 Y C 0.779 176.731 175.900 0.086 0.000 1.140 657 Y CA -2.680 55.463 58.100 0.072 0.000 1.166 657 Y CB 0.445 38.964 38.460 0.098 0.000 1.249 657 Y HN 0.184 nan 8.280 nan 0.000 0.479 658 H N 4.281 123.472 119.070 0.201 0.000 3.034 658 H HA -0.004 4.554 4.556 0.002 0.000 0.324 658 H C -1.822 173.567 175.328 0.102 0.000 1.015 658 H CA -0.913 55.200 56.048 0.108 0.000 1.429 658 H CB 1.251 31.019 29.762 0.009 0.000 1.429 658 H HN 0.373 nan 8.280 nan 0.000 0.585 659 P HA -0.227 nan 4.420 nan 0.000 0.218 659 P C 1.643 178.992 177.300 0.082 0.000 1.152 659 P CA 1.032 64.090 63.100 -0.071 0.000 0.857 659 P CB 0.259 31.853 31.700 -0.177 0.000 0.787 660 I N -1.454 119.265 120.570 0.248 0.000 2.394 660 I HA -0.168 4.003 4.170 0.003 0.000 0.251 660 I C 2.539 178.743 176.117 0.144 0.000 1.136 660 I CA 0.721 62.156 61.300 0.225 0.000 1.425 660 I CB -1.833 36.328 38.000 0.269 0.000 1.079 660 I HN 0.113 nan 8.210 nan 0.000 0.425 661 C N 1.001 120.400 119.300 0.166 0.000 2.457 661 C HA -0.141 4.321 4.460 0.003 0.000 0.278 661 C C 2.972 178.014 174.990 0.087 0.000 1.309 661 C CA 0.873 59.919 59.018 0.047 0.000 1.735 661 C CB -0.836 26.893 27.740 -0.018 0.000 1.992 661 C HN 0.469 nan 8.230 nan 0.000 0.493 662 K N 0.562 121.084 120.400 0.204 0.000 2.057 662 K HA -0.076 4.246 4.320 0.003 0.000 0.206 662 K C 2.137 178.882 176.600 0.241 0.000 1.050 662 K CA 1.606 58.090 56.287 0.330 0.000 0.935 662 K CB -0.347 32.322 32.500 0.281 0.000 0.715 662 K HN 0.489 nan 8.250 nan 0.000 0.439 663 A N 1.445 124.344 122.820 0.132 0.000 1.873 663 A HA -0.094 4.227 4.320 0.003 0.000 0.215 663 A C 2.147 179.741 177.584 0.015 0.000 1.186 663 A CA 1.184 53.267 52.037 0.076 0.000 0.616 663 A CB -0.570 18.463 19.000 0.055 0.000 0.823 663 A HN 0.301 nan 8.150 nan 0.000 0.442 664 L N -0.648 120.575 121.223 0.000 0.000 1.976 664 L HA -0.161 4.181 4.340 0.003 0.000 0.209 664 L C 2.578 179.380 176.870 -0.114 0.000 1.071 664 L CA 1.268 56.083 54.840 -0.042 0.000 0.746 664 L CB -0.728 41.313 42.059 -0.030 0.000 0.890 664 L HN 0.237 nan 8.230 nan 0.000 0.432 665 V N 0.328 120.145 119.914 -0.162 0.000 2.282 665 V HA -0.371 3.750 4.120 0.003 0.000 0.249 665 V C 2.600 178.325 176.094 -0.614 0.000 1.057 665 V CA 2.254 64.334 62.300 -0.367 0.000 1.032 665 V CB -0.669 30.881 31.823 -0.456 0.000 0.645 665 V HN 0.494 nan 8.190 nan 0.000 0.447 666 K N 0.441 120.475 120.400 -0.609 0.000 2.089 666 K HA -0.333 3.988 4.320 0.003 0.000 0.210 666 K C 2.241 178.679 176.600 -0.271 0.000 1.048 666 K CA 2.469 58.454 56.287 -0.503 0.000 0.926 666 K CB -0.185 32.317 32.500 0.004 0.000 0.714 666 K HN 0.760 nan 8.250 nan 0.000 0.448 667 Q N -0.594 119.105 119.800 -0.169 0.000 2.302 667 Q HA -0.080 4.261 4.340 0.003 0.000 0.202 667 Q C 1.201 177.134 176.000 -0.111 0.000 0.936 667 Q CA 1.162 56.902 55.803 -0.105 0.000 0.886 667 Q CB 0.114 28.818 28.738 -0.057 0.000 0.986 667 Q HN 0.189 nan 8.270 nan 0.000 0.487 668 D N 1.661 121.979 120.400 -0.137 0.000 2.133 668 D HA -0.135 4.506 4.640 0.003 0.000 0.195 668 D C 1.352 177.583 176.300 -0.116 0.000 0.997 668 D CA 1.116 55.051 54.000 -0.109 0.000 0.840 668 D CB -0.040 40.696 40.800 -0.106 0.000 0.947 668 D HN 0.317 nan 8.370 nan 0.000 0.452 669 L N -0.286 120.824 121.223 -0.188 0.000 2.682 669 L HA 0.193 4.535 4.340 0.003 0.000 0.240 669 L C 1.383 178.192 176.870 -0.102 0.000 1.178 669 L CA 0.073 54.820 54.840 -0.156 0.000 0.970 669 L CB -0.460 41.449 42.059 -0.251 0.000 1.179 669 L HN 0.077 nan 8.230 nan 0.000 0.435 670 G N 0.320 109.072 108.800 -0.081 0.000 2.233 670 G HA2 -0.302 3.659 3.960 0.003 0.000 0.270 670 G HA3 -0.302 3.659 3.960 0.003 0.000 0.270 670 G C 0.382 175.256 174.900 -0.042 0.000 1.011 670 G CA 0.413 45.482 45.100 -0.051 0.000 0.762 670 G HN 0.336 nan 8.290 nan 0.000 0.511 671 L N 0.000 121.188 121.223 -0.059 0.000 2.949 671 L HA 0.000 4.342 4.340 0.003 0.000 0.249 671 L CA 0.000 54.825 54.840 -0.026 0.000 0.813 671 L CB 0.000 42.051 42.059 -0.013 0.000 0.961 671 L HN 0.000 nan 8.230 nan 0.000 0.502