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 2gjx_1_H DATA FIRST_RESID 23 DATA SEQUENCE LWPWPQNFQT SDQRYVLYPN NFQFQYDVSS AAQPGcSVLD EAFQRYRDLL DATA SEQUENCE FGXXXXXXXX XXXXXXTLEK NVLVVSVVTP GcNQLPTLES VENYTLTIND DATA SEQUENCE DQCLLLSETV WGALRGLETF SQLVWKSAEG TFFINKTEIE DFPRFPHRGL DATA SEQUENCE LLDTSRHYLP LSSILDTLDV MAYNKLNVFH WHLVDDPSFP YESFTFPELM DATA SEQUENCE RKGSYNPVTH IYTAQDVKEV IEYARLRGIR VLAEFDTPGH TLSWGPGIPG DATA SEQUENCE LLTPcYSGSE PSGTFGPVNP SLNNTYEFMS TFFLEVSSVF PDFYLHLGGD DATA SEQUENCE EVDFTcWKSN PEIQDFMRKK GFGEDFKQLE SFYIQTLLDI VSSYGKGYVV DATA SEQUENCE WQEVFDNKVK IQPDTIIQVW REDIPVNYMK ELELVTKAGF RALLSAPWYL DATA SEQUENCE NRISYGPDWK DFYVVEPLAF EGTPEQKALV IGGEACMWGE YVDNTNLVPR DATA SEQUENCE LWPRAGAVAE RLWSNKLTSD LTFAYERLSH FRcELLRRGV QAQPLNVGFc DATA SEQUENCE EQEFEQ 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 23 L HA 0.000 nan 4.340 nan 0.000 0.249 23 L C 0.000 176.927 176.870 0.096 0.000 1.165 23 L CA 0.000 54.892 54.840 0.086 0.000 0.813 23 L CB 0.000 42.033 42.059 -0.044 0.000 0.961 24 W N 7.546 128.642 121.300 -0.341 0.000 3.042 24 W HA 0.473 5.133 4.660 -0.000 0.000 0.337 24 W C -2.829 173.351 176.519 -0.565 0.000 1.086 24 W CA -1.065 55.964 57.345 -0.527 0.000 1.236 24 W CB 2.586 31.447 29.460 -0.997 0.000 1.381 24 W HN 0.243 nan 8.180 nan 0.000 0.472 25 P HA 0.070 nan 4.420 nan 0.000 0.279 25 P C -0.323 176.754 177.300 -0.372 0.000 1.282 25 P CA -0.106 62.490 63.100 -0.840 0.000 0.788 25 P CB 1.225 32.554 31.700 -0.618 0.000 1.139 26 W N 1.374 122.404 121.300 -0.451 0.000 2.311 26 W HA 0.211 4.871 4.660 -0.000 0.000 0.310 26 W C -2.421 174.080 176.519 -0.029 0.000 1.274 26 W CA -1.914 55.302 57.345 -0.214 0.000 1.215 26 W CB 0.544 29.934 29.460 -0.116 0.000 1.227 26 W HN 0.294 nan 8.180 nan 0.000 0.523 27 P HA -0.098 nan 4.420 nan 0.000 0.271 27 P C 0.733 177.900 177.300 -0.222 0.000 1.244 27 P CA 0.360 63.323 63.100 -0.227 0.000 0.793 27 P CB 0.733 32.278 31.700 -0.258 0.000 0.984 28 Q N 0.108 119.773 119.800 -0.225 0.000 2.083 28 Q HA -0.015 4.325 4.340 -0.000 0.000 0.198 28 Q C -0.092 175.853 176.000 -0.092 0.000 0.969 28 Q CA 1.661 57.304 55.803 -0.267 0.000 0.838 28 Q CB -0.243 28.085 28.738 -0.684 0.000 0.900 28 Q HN 0.498 nan 8.270 nan 0.000 0.436 29 N N -0.338 118.316 118.700 -0.077 0.000 2.491 29 N HA 0.279 5.019 4.740 -0.000 0.000 0.274 29 N C -1.704 173.815 175.510 0.014 0.000 1.023 29 N CA -0.233 52.820 53.050 0.005 0.000 0.902 29 N CB 1.228 39.722 38.487 0.011 0.000 1.267 29 N HN -0.022 nan 8.380 nan 0.000 0.503 30 F N 1.739 121.620 119.950 -0.115 0.000 2.507 30 F HA 0.361 4.888 4.527 -0.000 0.000 0.328 30 F C -0.851 174.948 175.800 -0.003 0.000 1.136 30 F CA -0.462 57.444 58.000 -0.157 0.000 0.930 30 F CB 1.343 40.062 39.000 -0.467 0.000 1.166 30 F HN 0.117 nan 8.300 nan 0.000 0.436 31 Q N 4.601 124.082 119.800 -0.532 0.000 2.320 31 Q HA 0.268 4.608 4.340 -0.000 0.000 0.268 31 Q C -0.769 174.941 176.000 -0.482 0.000 1.023 31 Q CA -0.377 55.239 55.803 -0.312 0.000 0.744 31 Q CB 2.125 30.768 28.738 -0.159 0.000 1.246 31 Q HN 0.716 nan 8.270 nan 0.000 0.462 32 T N 0.703 115.114 114.554 -0.238 0.000 2.888 32 T HA 0.631 4.981 4.350 -0.000 0.000 0.284 32 T C -0.639 174.060 174.700 -0.001 0.000 1.017 32 T CA -0.236 61.794 62.100 -0.117 0.000 1.022 32 T CB 1.461 70.432 68.868 0.171 0.000 1.013 32 T HN 0.458 nan 8.240 nan 0.000 0.465 33 S N 1.682 117.391 115.700 0.015 0.000 2.671 33 S HA 0.472 4.942 4.470 -0.000 0.000 0.299 33 S C -0.088 174.529 174.600 0.029 0.000 1.116 33 S CA -0.636 57.580 58.200 0.026 0.000 0.912 33 S CB 1.505 64.725 63.200 0.033 0.000 1.130 33 S HN 0.735 nan 8.310 nan 0.000 0.501 34 D N 1.059 121.461 120.400 0.005 0.000 2.339 34 D HA 0.153 4.793 4.640 -0.000 0.000 0.217 34 D C 0.096 176.377 176.300 -0.031 0.000 1.050 34 D CA 0.395 54.383 54.000 -0.020 0.000 0.856 34 D CB 0.122 40.900 40.800 -0.038 0.000 0.922 34 D HN 0.484 nan 8.370 nan 0.000 0.518 35 Q N 0.911 120.695 119.800 -0.027 0.000 2.274 35 Q HA 0.187 4.527 4.340 -0.000 0.000 0.280 35 Q C 0.062 175.973 176.000 -0.147 0.000 1.047 35 Q CA 0.555 56.290 55.803 -0.114 0.000 0.907 35 Q CB 0.995 29.670 28.738 -0.105 0.000 1.171 35 Q HN 0.010 nan 8.270 nan 0.000 0.381 36 R N 1.795 122.125 120.500 -0.282 0.000 2.668 36 R HA 0.496 4.836 4.340 -0.000 0.000 0.279 36 R C -1.241 174.862 176.300 -0.328 0.000 0.976 36 R CA -0.418 55.550 56.100 -0.219 0.000 0.978 36 R CB 1.168 31.160 30.300 -0.514 0.000 1.133 36 R HN 0.489 nan 8.270 nan 0.000 0.484 37 Y N 0.050 120.523 120.300 0.288 0.000 2.373 37 Y HA 0.280 4.830 4.550 -0.000 0.000 0.336 37 Y C -0.321 175.752 175.900 0.289 0.000 0.979 37 Y CA -1.059 57.199 58.100 0.264 0.000 1.080 37 Y CB 1.762 40.330 38.460 0.181 0.000 1.190 37 Y HN 0.184 nan 8.280 nan 0.000 0.446 38 V N 5.159 125.232 119.914 0.265 0.000 2.637 38 V HA 0.172 4.292 4.120 -0.000 0.000 0.296 38 V C 0.125 176.090 176.094 -0.214 0.000 1.046 38 V CA -0.263 61.942 62.300 -0.159 0.000 1.066 38 V CB 0.647 32.344 31.823 -0.210 0.000 0.968 38 V HN 0.598 nan 8.190 nan 0.000 0.483 39 L N 4.459 125.423 121.223 -0.432 0.000 2.330 39 L HA 0.546 4.886 4.340 -0.000 0.000 0.271 39 L C -1.238 175.211 176.870 -0.702 0.000 1.013 39 L CA -0.711 53.909 54.840 -0.366 0.000 0.816 39 L CB 1.861 43.743 42.059 -0.295 0.000 1.287 39 L HN 0.557 nan 8.230 nan 0.000 0.435 40 Y N 1.626 121.745 120.300 -0.302 0.000 2.646 40 Y HA 0.259 4.809 4.550 -0.000 0.000 0.334 40 Y C -1.789 173.757 175.900 -0.589 0.000 1.004 40 Y CA -1.661 56.225 58.100 -0.357 0.000 1.301 40 Y CB 0.844 39.185 38.460 -0.199 0.000 1.093 40 Y HN 0.407 nan 8.280 nan 0.000 0.530 41 P HA -0.266 nan 4.420 nan 0.000 0.219 41 P C 0.960 177.837 177.300 -0.705 0.000 1.161 41 P CA 1.828 64.078 63.100 -1.416 0.000 0.909 41 P CB 0.429 31.550 31.700 -0.965 0.000 0.793 42 N N -1.526 116.975 118.700 -0.331 0.000 2.459 42 N HA -0.050 4.690 4.740 -0.000 0.000 0.181 42 N C 1.038 176.484 175.510 -0.107 0.000 1.046 42 N CA 0.922 53.882 53.050 -0.151 0.000 0.904 42 N CB -0.666 37.768 38.487 -0.089 0.000 0.964 42 N HN 0.361 nan 8.380 nan 0.000 0.444 43 N N -0.954 117.675 118.700 -0.119 0.000 2.227 43 N HA 0.094 4.834 4.740 -0.000 0.000 0.196 43 N C -0.402 175.051 175.510 -0.095 0.000 1.142 43 N CA -0.367 52.628 53.050 -0.092 0.000 0.887 43 N CB 0.496 38.919 38.487 -0.106 0.000 1.022 43 N HN 0.013 nan 8.380 nan 0.000 0.500 44 F N 3.672 123.453 119.950 -0.281 0.000 2.578 44 F HA -0.000 4.527 4.527 -0.000 0.000 0.381 44 F C 0.276 175.912 175.800 -0.272 0.000 1.069 44 F CA -0.027 57.792 58.000 -0.302 0.000 1.231 44 F CB 0.282 39.018 39.000 -0.441 0.000 1.086 44 F HN 0.059 nan 8.300 nan 0.000 0.564 45 Q N 5.180 124.457 119.800 -0.871 0.000 2.397 45 Q HA 0.501 4.841 4.340 -0.000 0.000 0.275 45 Q C -1.870 173.563 176.000 -0.946 0.000 1.090 45 Q CA -0.950 54.477 55.803 -0.628 0.000 0.809 45 Q CB 1.944 30.516 28.738 -0.276 0.000 1.362 45 Q HN 0.522 nan 8.270 nan 0.000 0.431 46 F N 1.384 121.015 119.950 -0.532 0.000 2.404 46 F HA 0.369 4.896 4.527 -0.000 0.000 0.339 46 F C 0.272 175.798 175.800 -0.457 0.000 1.105 46 F CA -0.294 57.260 58.000 -0.743 0.000 1.087 46 F CB 1.661 39.797 39.000 -1.441 0.000 1.143 46 F HN 0.609 nan 8.300 nan 0.000 0.491 47 Q N 1.674 121.343 119.800 -0.219 0.000 2.421 47 Q HA 0.521 4.861 4.340 -0.000 0.000 0.280 47 Q C -2.062 173.898 176.000 -0.066 0.000 1.085 47 Q CA -1.067 54.704 55.803 -0.054 0.000 0.807 47 Q CB 1.862 30.581 28.738 -0.033 0.000 1.405 47 Q HN 0.586 nan 8.270 nan 0.000 0.419 48 Y N 0.488 120.880 120.300 0.153 0.000 2.307 48 Y HA 0.235 4.785 4.550 -0.000 0.000 0.324 48 Y C 0.481 176.404 175.900 0.038 0.000 1.238 48 Y CA -0.332 57.828 58.100 0.101 0.000 1.280 48 Y CB 0.870 39.370 38.460 0.067 0.000 1.248 48 Y HN 0.656 nan 8.280 nan 0.000 0.508 49 D N 0.927 121.436 120.400 0.182 0.000 2.341 49 D HA -0.027 4.613 4.640 -0.000 0.000 0.245 49 D C 0.911 177.261 176.300 0.084 0.000 1.106 49 D CA 0.121 54.178 54.000 0.095 0.000 0.905 49 D CB 1.936 42.774 40.800 0.063 0.000 1.202 49 D HN 0.502 nan 8.370 nan 0.000 0.426 50 V N 3.049 122.993 119.914 0.049 0.000 2.490 50 V HA -0.169 3.951 4.120 -0.000 0.000 0.250 50 V C 1.293 177.396 176.094 0.016 0.000 1.061 50 V CA 2.361 64.677 62.300 0.028 0.000 1.064 50 V CB -0.256 31.576 31.823 0.016 0.000 0.670 50 V HN 0.626 nan 8.190 nan 0.000 0.461 51 S N 0.036 115.747 115.700 0.019 0.000 2.979 51 S HA 0.473 4.943 4.470 -0.000 0.000 0.210 51 S C -0.006 174.605 174.600 0.017 0.000 1.364 51 S CA 0.122 58.328 58.200 0.011 0.000 1.208 51 S CB 0.373 63.578 63.200 0.009 0.000 1.167 51 S HN 0.496 nan 8.310 nan 0.000 0.519 52 S N 0.432 116.143 115.700 0.019 0.000 2.542 52 S HA 0.738 5.208 4.470 -0.000 0.000 0.293 52 S C 0.997 175.593 174.600 -0.007 0.000 1.089 52 S CA -0.160 58.057 58.200 0.027 0.000 0.961 52 S CB 1.442 64.691 63.200 0.081 0.000 1.062 52 S HN 0.587 nan 8.310 nan 0.000 0.483 53 A N 3.216 126.030 122.820 -0.011 0.000 1.898 53 A HA 0.422 4.742 4.320 -0.000 0.000 0.216 53 A C 1.253 178.791 177.584 -0.078 0.000 1.181 53 A CA 1.242 53.254 52.037 -0.041 0.000 0.620 53 A CB -1.078 17.901 19.000 -0.035 0.000 0.819 53 A HN 1.292 nan 8.150 nan 0.000 0.442 54 A N -0.529 122.258 122.820 -0.054 0.000 2.409 54 A HA 0.561 4.881 4.320 -0.000 0.000 0.267 54 A C -0.113 177.278 177.584 -0.323 0.000 1.127 54 A CA 0.026 51.995 52.037 -0.113 0.000 0.795 54 A CB 0.345 19.379 19.000 0.058 0.000 1.061 54 A HN 0.468 nan 8.150 nan 0.000 0.502 55 Q N 1.674 121.098 119.800 -0.627 0.000 2.462 55 Q HA 0.531 4.871 4.340 -0.000 0.000 0.285 55 Q C -2.881 172.548 176.000 -0.952 0.000 1.035 55 Q CA -1.815 53.476 55.803 -0.853 0.000 0.799 55 Q CB 2.217 30.732 28.738 -0.372 0.000 1.452 55 Q HN 0.435 nan 8.270 nan 0.000 0.404 56 P HA 0.045 nan 4.420 nan 0.000 0.263 56 P C 0.061 177.192 177.300 -0.281 0.000 1.162 56 P CA 2.050 64.911 63.100 -0.398 0.000 0.758 56 P CB 0.320 31.922 31.700 -0.164 0.000 0.773 57 G N 1.589 110.268 108.800 -0.202 0.000 2.134 57 G HA2 -0.219 3.741 3.960 -0.000 0.000 0.209 57 G HA3 -0.219 3.741 3.960 -0.000 0.000 0.209 57 G C 0.147 174.944 174.900 -0.171 0.000 0.993 57 G CA -0.231 44.778 45.100 -0.151 0.000 0.669 57 G HN 0.752 nan 8.290 nan 0.000 0.519 58 c N 2.972 121.441 118.600 -0.219 0.000 2.138 58 c HA 0.635 5.205 4.570 -0.000 0.000 0.398 58 c C 2.419 176.416 174.090 -0.154 0.000 1.029 58 c CA 0.459 56.664 56.329 -0.206 0.000 1.426 58 c CB -1.397 40.953 42.510 -0.267 0.000 1.652 58 c HN 1.010 nan 8.230 nan 0.000 0.486 59 S N 3.350 118.981 115.700 -0.115 0.000 2.401 59 S HA -0.213 4.257 4.470 -0.000 0.000 0.236 59 S C 1.702 176.252 174.600 -0.083 0.000 1.058 59 S CA 2.411 60.561 58.200 -0.082 0.000 1.151 59 S CB -0.834 62.337 63.200 -0.048 0.000 1.049 59 S HN 0.598 nan 8.310 nan 0.000 0.432 60 V N 2.044 121.908 119.914 -0.083 0.000 2.231 60 V HA -0.182 3.938 4.120 -0.000 0.000 0.248 60 V C 2.710 178.757 176.094 -0.079 0.000 1.054 60 V CA 2.209 64.472 62.300 -0.062 0.000 1.015 60 V CB -1.044 30.711 31.823 -0.113 0.000 0.638 60 V HN 0.362 nan 8.190 nan 0.000 0.444 61 L N 0.971 122.114 121.223 -0.132 0.000 1.994 61 L HA -0.187 4.153 4.340 -0.000 0.000 0.208 61 L C 2.262 178.876 176.870 -0.427 0.000 1.071 61 L CA 2.451 57.169 54.840 -0.204 0.000 0.745 61 L CB -1.327 40.618 42.059 -0.189 0.000 0.892 61 L HN 0.607 nan 8.230 nan 0.000 0.431 62 D N -1.664 118.493 120.400 -0.406 0.000 2.315 62 D HA -0.191 4.449 4.640 -0.000 0.000 0.211 62 D C 1.679 177.909 176.300 -0.117 0.000 0.977 62 D CA 0.812 54.602 54.000 -0.349 0.000 0.894 62 D CB -0.113 40.584 40.800 -0.172 0.000 0.910 62 D HN 0.319 nan 8.370 nan 0.000 0.490 63 E N 0.592 120.745 120.200 -0.078 0.000 2.075 63 E HA 0.054 4.404 4.350 -0.000 0.000 0.190 63 E C 2.375 178.990 176.600 0.024 0.000 0.969 63 E CA 0.884 57.270 56.400 -0.023 0.000 0.815 63 E CB -0.592 29.078 29.700 -0.050 0.000 0.776 63 E HN 0.337 nan 8.360 nan 0.000 0.457 64 A N 1.358 124.209 122.820 0.052 0.000 1.917 64 A HA -0.214 4.106 4.320 -0.000 0.000 0.219 64 A C 2.057 179.751 177.584 0.184 0.000 1.182 64 A CA 1.418 53.551 52.037 0.160 0.000 0.633 64 A CB -0.917 18.209 19.000 0.209 0.000 0.819 64 A HN 0.132 nan 8.150 nan 0.000 0.448 65 F N 0.118 119.935 119.950 -0.222 0.000 2.063 65 F HA -0.256 4.271 4.527 -0.000 0.000 0.298 65 F C 2.819 178.550 175.800 -0.115 0.000 1.109 65 F CA 1.893 59.648 58.000 -0.407 0.000 1.212 65 F CB -0.798 38.075 39.000 -0.213 0.000 0.973 65 F HN 0.257 nan 8.300 nan 0.000 0.480 66 Q N -0.384 119.539 119.800 0.204 0.000 2.123 66 Q HA -0.140 4.200 4.340 -0.000 0.000 0.199 66 Q C 2.427 178.493 176.000 0.109 0.000 0.966 66 Q CA 1.082 56.986 55.803 0.168 0.000 0.845 66 Q CB -0.504 28.306 28.738 0.121 0.000 0.907 66 Q HN 0.440 nan 8.270 nan 0.000 0.439 67 R N -0.411 120.116 120.500 0.044 0.000 2.073 67 R HA -0.164 4.176 4.340 -0.000 0.000 0.234 67 R C 1.793 178.035 176.300 -0.096 0.000 1.134 67 R CA 1.357 57.420 56.100 -0.061 0.000 0.952 67 R CB -0.164 30.040 30.300 -0.160 0.000 0.850 67 R HN 0.174 nan 8.270 nan 0.000 0.433 68 Y N 0.598 120.900 120.300 0.003 0.000 2.395 68 Y HA -0.060 4.490 4.550 -0.000 0.000 0.293 68 Y C 2.344 178.304 175.900 0.100 0.000 1.123 68 Y CA 1.553 59.667 58.100 0.023 0.000 1.227 68 Y CB -0.027 38.412 38.460 -0.035 0.000 1.012 68 Y HN 0.197 nan 8.280 nan 0.000 0.552 69 R N -0.266 120.448 120.500 0.358 0.000 2.235 69 R HA -0.103 4.237 4.340 -0.000 0.000 0.213 69 R C 1.335 177.756 176.300 0.202 0.000 1.059 69 R CA 1.676 58.032 56.100 0.427 0.000 0.997 69 R CB -0.307 30.351 30.300 0.597 0.000 0.884 69 R HN 0.172 nan 8.270 nan 0.000 0.462 70 D N 0.510 120.978 120.400 0.113 0.000 2.162 70 D HA -0.054 4.586 4.640 -0.000 0.000 0.205 70 D C 1.677 177.962 176.300 -0.025 0.000 0.964 70 D CA 0.612 54.644 54.000 0.053 0.000 0.847 70 D CB 0.146 40.967 40.800 0.036 0.000 0.988 70 D HN 0.159 nan 8.370 nan 0.000 0.480 71 L N 0.109 121.293 121.223 -0.066 0.000 2.083 71 L HA -0.088 4.252 4.340 -0.000 0.000 0.209 71 L C 2.175 178.937 176.870 -0.179 0.000 1.083 71 L CA 1.005 55.775 54.840 -0.117 0.000 0.752 71 L CB -0.670 41.308 42.059 -0.135 0.000 0.899 71 L HN 0.156 nan 8.230 nan 0.000 0.433 72 L N -2.060 118.970 121.223 -0.322 0.000 2.102 72 L HA -0.015 4.325 4.340 -0.000 0.000 0.202 72 L C 0.338 176.764 176.870 -0.741 0.000 1.076 72 L CA 1.309 55.717 54.840 -0.720 0.000 0.761 72 L CB -0.372 40.863 42.059 -1.374 0.000 0.921 72 L HN 0.051 nan 8.230 nan 0.000 0.444 73 F N -0.646 119.298 119.950 -0.011 0.000 2.550 73 F HA 0.706 5.233 4.527 -0.000 0.000 0.348 73 F C 0.479 176.273 175.800 -0.011 0.000 1.219 73 F CA -0.880 57.080 58.000 -0.067 0.000 1.203 73 F CB 0.329 39.225 39.000 -0.173 0.000 1.436 73 F HN -0.061 nan 8.300 nan 0.000 0.541 90 L N -1.221 120.181 121.223 0.298 0.000 2.422 90 L HA 0.969 5.309 4.340 -0.000 0.000 0.264 90 L C -1.085 175.942 176.870 0.262 0.000 0.984 90 L CA -0.927 54.095 54.840 0.303 0.000 0.819 90 L CB 2.231 44.487 42.059 0.329 0.000 1.330 90 L HN 0.393 nan 8.230 nan 0.000 0.410 91 E N 2.235 122.581 120.200 0.243 0.000 2.186 91 E HA 0.209 4.559 4.350 -0.000 0.000 0.255 91 E C -0.667 176.066 176.600 0.222 0.000 0.881 91 E CA -0.243 56.256 56.400 0.165 0.000 0.752 91 E CB 2.423 32.193 29.700 0.116 0.000 1.176 91 E HN 0.672 nan 8.360 nan 0.000 0.421 92 K N 2.142 122.615 120.400 0.122 0.000 2.372 92 K HA 0.093 4.413 4.320 -0.000 0.000 0.200 92 K C 0.023 176.495 176.600 -0.213 0.000 1.022 92 K CA 0.079 56.409 56.287 0.071 0.000 1.125 92 K CB 0.446 32.947 32.500 0.001 0.000 0.855 92 K HN 0.196 nan 8.250 nan 0.000 0.524 93 N N -0.307 118.235 118.700 -0.263 0.000 2.598 93 N HA 0.136 4.876 4.740 -0.000 0.000 0.263 93 N C -2.222 173.048 175.510 -0.399 0.000 1.254 93 N CA -0.511 52.218 53.050 -0.534 0.000 0.863 93 N CB 2.299 40.585 38.487 -0.336 0.000 1.586 93 N HN -0.138 nan 8.380 nan 0.000 0.491 94 V N 3.871 123.452 119.914 -0.554 0.000 2.443 94 V HA 0.519 4.639 4.120 -0.000 0.000 0.293 94 V C -0.676 175.239 176.094 -0.298 0.000 1.021 94 V CA -0.618 61.467 62.300 -0.359 0.000 0.848 94 V CB 0.933 32.471 31.823 -0.475 0.000 0.998 94 V HN 0.575 nan 8.190 nan 0.000 0.424 95 L N 6.664 127.779 121.223 -0.180 0.000 2.397 95 L HA 0.563 4.903 4.340 -0.000 0.000 0.271 95 L C -0.476 176.336 176.870 -0.097 0.000 1.148 95 L CA -0.336 54.433 54.840 -0.118 0.000 0.825 95 L CB 1.396 43.417 42.059 -0.063 0.000 1.117 95 L HN 0.398 nan 8.230 nan 0.000 0.456 96 V N 3.928 123.805 119.914 -0.061 0.000 2.525 96 V HA 0.381 4.501 4.120 -0.000 0.000 0.299 96 V C -0.545 175.592 176.094 0.073 0.000 1.034 96 V CA -0.593 61.698 62.300 -0.015 0.000 0.863 96 V CB 2.273 34.070 31.823 -0.042 0.000 0.999 96 V HN 0.471 nan 8.190 nan 0.000 0.423 97 V N 4.740 124.695 119.914 0.070 0.000 2.447 97 V HA 0.622 4.742 4.120 -0.000 0.000 0.292 97 V C -0.112 176.026 176.094 0.072 0.000 1.021 97 V CA 0.012 62.362 62.300 0.084 0.000 0.850 97 V CB 2.072 33.929 31.823 0.058 0.000 1.005 97 V HN 0.895 nan 8.190 nan 0.000 0.426 98 S N 4.548 120.291 115.700 0.072 0.000 2.475 98 S HA 0.363 4.833 4.470 -0.000 0.000 0.281 98 S C 1.013 175.628 174.600 0.025 0.000 1.198 98 S CA -0.033 58.192 58.200 0.041 0.000 1.063 98 S CB 1.477 64.686 63.200 0.014 0.000 0.972 98 S HN 1.408 nan 8.310 nan 0.000 0.486 99 V N 4.863 124.792 119.914 0.025 0.000 2.346 99 V HA 0.178 4.298 4.120 -0.000 0.000 0.244 99 V C 0.807 176.904 176.094 0.004 0.000 1.037 99 V CA 0.841 63.150 62.300 0.016 0.000 1.029 99 V CB -0.823 31.013 31.823 0.021 0.000 0.663 99 V HN 0.593 nan 8.190 nan 0.000 0.454 100 V N 2.599 122.515 119.914 0.003 0.000 2.485 100 V HA 0.070 4.190 4.120 -0.000 0.000 0.287 100 V C 1.879 177.956 176.094 -0.027 0.000 1.022 100 V CA 1.118 63.415 62.300 -0.005 0.000 1.067 100 V CB 0.036 31.862 31.823 0.005 0.000 0.967 100 V HN 0.642 nan 8.190 nan 0.000 0.479 101 T N 6.857 121.396 114.554 -0.026 0.000 2.635 101 T HA -0.124 4.226 4.350 -0.000 0.000 0.267 101 T C -0.199 174.465 174.700 -0.060 0.000 1.040 101 T CA 2.066 64.143 62.100 -0.039 0.000 1.156 101 T CB -0.862 67.989 68.868 -0.030 0.000 0.863 101 T HN 0.729 nan 8.240 nan 0.000 0.430 102 P HA 0.186 nan 4.420 nan 0.000 0.200 102 P C 1.350 178.580 177.300 -0.117 0.000 1.048 102 P CA 1.132 64.193 63.100 -0.065 0.000 0.734 102 P CB -0.740 30.944 31.700 -0.028 0.000 0.648 103 G N -0.525 108.191 108.800 -0.140 0.000 2.574 103 G HA2 -0.353 3.607 3.960 -0.000 0.000 0.282 103 G HA3 -0.353 3.607 3.960 -0.000 0.000 0.282 103 G C 0.701 175.468 174.900 -0.223 0.000 1.257 103 G CA 0.373 45.296 45.100 -0.295 0.000 0.956 103 G HN 0.628 nan 8.290 nan 0.000 0.560 104 c N -0.222 118.196 118.600 -0.303 0.000 3.962 104 c HA -0.233 4.337 4.570 -0.000 0.000 0.292 104 c C 1.564 175.605 174.090 -0.081 0.000 1.539 104 c CA 2.671 58.890 56.329 -0.183 0.000 2.104 104 c CB -2.386 40.023 42.510 -0.168 0.000 1.306 104 c HN 1.927 nan 8.230 nan 0.000 0.764 105 N N -5.109 113.575 118.700 -0.025 0.000 2.034 105 N HA -0.026 4.714 4.740 -0.000 0.000 0.286 105 N C -0.158 175.417 175.510 0.108 0.000 1.316 105 N CA -0.512 52.563 53.050 0.042 0.000 0.854 105 N CB -0.246 38.247 38.487 0.011 0.000 1.582 105 N HN 0.334 nan 8.380 nan 0.000 0.719 106 Q N 0.715 120.595 119.800 0.133 0.000 2.584 106 Q HA 0.146 4.486 4.340 -0.000 0.000 0.235 106 Q C -0.418 175.809 176.000 0.378 0.000 1.079 106 Q CA 0.191 56.132 55.803 0.229 0.000 0.977 106 Q CB 0.910 29.801 28.738 0.255 0.000 1.293 106 Q HN 0.252 nan 8.270 nan 0.000 0.553 107 L N 3.029 124.432 121.223 0.300 0.000 2.317 107 L HA 0.386 4.726 4.340 -0.000 0.000 0.281 107 L C -2.021 174.918 176.870 0.114 0.000 1.024 107 L CA -1.770 53.196 54.840 0.210 0.000 0.810 107 L CB 1.138 43.277 42.059 0.133 0.000 1.240 107 L HN 0.389 nan 8.230 nan 0.000 0.427 108 P HA 0.170 nan 4.420 nan 0.000 0.268 108 P C -0.390 176.788 177.300 -0.204 0.000 1.205 108 P CA 0.019 62.741 63.100 -0.629 0.000 0.771 108 P CB 0.824 31.852 31.700 -1.121 0.000 0.858 109 T N -0.830 113.659 114.554 -0.109 0.000 2.773 109 T HA 0.281 4.630 4.350 -0.000 0.000 0.278 109 T C 0.829 175.562 174.700 0.054 0.000 1.011 109 T CA -0.773 61.345 62.100 0.031 0.000 1.014 109 T CB 0.635 69.545 68.868 0.070 0.000 1.293 109 T HN 0.133 nan 8.240 nan 0.000 0.554 110 L N 0.254 121.562 121.223 0.142 0.000 2.156 110 L HA 0.265 4.605 4.340 -0.000 0.000 0.208 110 L C 1.533 178.470 176.870 0.112 0.000 1.095 110 L CA 1.830 56.759 54.840 0.147 0.000 0.770 110 L CB -0.932 41.258 42.059 0.218 0.000 0.914 110 L HN 0.753 nan 8.230 nan 0.000 0.439 111 E N -0.871 119.386 120.200 0.095 0.000 2.370 111 E HA 0.176 4.526 4.350 -0.000 0.000 0.194 111 E C 0.089 176.738 176.600 0.081 0.000 1.057 111 E CA -0.023 56.422 56.400 0.074 0.000 1.011 111 E CB 0.059 29.787 29.700 0.046 0.000 1.132 111 E HN 0.182 nan 8.360 nan 0.000 0.450 112 S N 0.583 116.339 115.700 0.094 0.000 2.430 112 S HA 0.206 4.676 4.470 -0.000 0.000 0.289 112 S C 0.078 174.778 174.600 0.167 0.000 1.143 112 S CA -0.672 57.616 58.200 0.147 0.000 1.067 112 S CB 0.305 63.579 63.200 0.124 0.000 0.964 112 S HN 0.006 nan 8.310 nan 0.000 0.485 113 V N 6.261 126.277 119.914 0.170 0.000 2.485 113 V HA 0.105 4.225 4.120 -0.000 0.000 0.287 113 V C 0.928 177.154 176.094 0.219 0.000 1.022 113 V CA 0.492 62.882 62.300 0.149 0.000 1.067 113 V CB 0.696 32.580 31.823 0.101 0.000 0.967 113 V HN 0.926 nan 8.190 nan 0.000 0.479 114 E N 2.928 123.257 120.200 0.216 0.000 2.496 114 E HA 0.151 4.501 4.350 -0.000 0.000 0.200 114 E C -0.146 176.666 176.600 0.352 0.000 1.016 114 E CA -0.380 56.208 56.400 0.314 0.000 0.962 114 E CB 0.195 30.107 29.700 0.355 0.000 1.071 114 E HN 0.684 nan 8.360 nan 0.000 0.457 115 N N 1.845 120.693 118.700 0.248 0.000 2.454 115 N HA 0.060 4.800 4.740 -0.000 0.000 0.254 115 N C -0.717 174.992 175.510 0.332 0.000 1.228 115 N CA 0.535 53.726 53.050 0.234 0.000 0.900 115 N CB 0.176 38.725 38.487 0.103 0.000 1.089 115 N HN 0.167 nan 8.380 nan 0.000 0.449 116 Y N -2.661 117.747 120.300 0.179 0.000 2.604 116 Y HA 0.598 5.148 4.550 -0.000 0.000 0.331 116 Y C -1.255 174.726 175.900 0.135 0.000 1.158 116 Y CA -1.269 56.919 58.100 0.146 0.000 1.056 116 Y CB 0.731 39.287 38.460 0.160 0.000 1.330 116 Y HN 0.458 nan 8.280 nan 0.000 0.457 117 T N 1.745 116.380 114.554 0.135 0.000 2.881 117 T HA 0.624 4.974 4.350 -0.000 0.000 0.290 117 T C -1.879 172.925 174.700 0.173 0.000 1.000 117 T CA -0.622 61.498 62.100 0.033 0.000 0.978 117 T CB 1.705 70.586 68.868 0.022 0.000 0.997 117 T HN 0.905 nan 8.240 nan 0.000 0.443 118 L N 3.163 124.478 121.223 0.154 0.000 2.318 118 L HA 0.659 4.999 4.340 -0.000 0.000 0.277 118 L C -0.069 176.857 176.870 0.094 0.000 1.008 118 L CA -0.023 54.929 54.840 0.188 0.000 0.846 118 L CB 1.379 43.614 42.059 0.295 0.000 1.220 118 L HN 1.016 nan 8.230 nan 0.000 0.423 119 T N 6.403 121.001 114.554 0.073 0.000 2.791 119 T HA 0.673 5.023 4.350 -0.000 0.000 0.288 119 T C -0.592 174.128 174.700 0.034 0.000 0.999 119 T CA -0.313 61.807 62.100 0.034 0.000 0.952 119 T CB 0.128 69.007 68.868 0.018 0.000 0.938 119 T HN 0.447 nan 8.240 nan 0.000 0.444 120 I N 7.169 127.752 120.570 0.022 0.000 2.439 120 I HA 0.468 4.638 4.170 -0.000 0.000 0.285 120 I C 0.118 176.208 176.117 -0.046 0.000 1.021 120 I CA -0.822 60.469 61.300 -0.014 0.000 1.091 120 I CB 1.373 39.392 38.000 0.031 0.000 1.242 120 I HN 0.751 nan 8.210 nan 0.000 0.439 121 N N 2.931 121.571 118.700 -0.100 0.000 3.418 121 N HA 0.286 5.026 4.740 -0.000 0.000 0.316 121 N C -0.415 175.070 175.510 -0.042 0.000 1.601 121 N CA -0.670 52.373 53.050 -0.011 0.000 0.805 121 N CB 0.833 39.347 38.487 0.045 0.000 1.873 121 N HN 0.189 nan 8.380 nan 0.000 0.615 122 D N 0.078 120.564 120.400 0.144 0.000 2.149 122 D HA -0.099 4.541 4.640 -0.000 0.000 0.198 122 D C 0.431 176.776 176.300 0.074 0.000 0.990 122 D CA 1.692 55.803 54.000 0.184 0.000 0.839 122 D CB -0.082 40.818 40.800 0.167 0.000 0.948 122 D HN 0.417 nan 8.370 nan 0.000 0.460 123 D N -0.788 119.631 120.400 0.032 0.000 2.422 123 D HA 0.078 4.718 4.640 -0.000 0.000 0.218 123 D C 0.385 176.678 176.300 -0.012 0.000 1.047 123 D CA 0.239 54.248 54.000 0.015 0.000 0.885 123 D CB 0.383 41.195 40.800 0.019 0.000 1.035 123 D HN 0.239 nan 8.370 nan 0.000 0.502 124 Q N -0.338 119.446 119.800 -0.027 0.000 2.377 124 Q HA 0.554 4.894 4.340 -0.000 0.000 0.271 124 Q C -0.931 175.034 176.000 -0.058 0.000 1.077 124 Q CA -0.515 55.269 55.803 -0.033 0.000 0.820 124 Q CB 3.255 31.985 28.738 -0.014 0.000 1.347 124 Q HN 0.015 nan 8.270 nan 0.000 0.444 125 C N 2.998 122.271 119.300 -0.044 0.000 3.421 125 C HA 0.446 4.906 4.460 -0.000 0.000 0.194 125 C C -1.570 173.405 174.990 -0.027 0.000 1.418 125 C CA -0.285 58.717 59.018 -0.027 0.000 1.226 125 C CB -0.604 27.117 27.740 -0.031 0.000 1.875 125 C HN 0.743 nan 8.230 nan 0.000 0.561 126 L N 3.201 124.420 121.223 -0.007 0.000 2.307 126 L HA 0.643 4.983 4.340 -0.000 0.000 0.284 126 L C -0.593 176.288 176.870 0.019 0.000 1.023 126 L CA -0.296 54.538 54.840 -0.009 0.000 0.810 126 L CB 1.377 43.437 42.059 0.002 0.000 1.231 126 L HN 0.435 nan 8.230 nan 0.000 0.423 127 L N 6.968 128.189 121.223 -0.004 0.000 2.314 127 L HA 0.349 4.689 4.340 -0.000 0.000 0.275 127 L C -1.198 175.709 176.870 0.062 0.000 1.068 127 L CA -0.588 54.273 54.840 0.036 0.000 0.894 127 L CB 0.980 43.014 42.059 -0.041 0.000 1.275 127 L HN 0.675 nan 8.230 nan 0.000 0.432 128 L N 5.628 126.909 121.223 0.097 0.000 2.261 128 L HA 0.404 4.744 4.340 -0.000 0.000 0.289 128 L C 0.055 177.009 176.870 0.139 0.000 1.059 128 L CA 0.218 55.113 54.840 0.092 0.000 0.816 128 L CB 1.178 43.278 42.059 0.068 0.000 1.191 128 L HN 0.681 nan 8.230 nan 0.000 0.431 129 S N 2.013 117.788 115.700 0.126 0.000 2.566 129 S HA 0.527 4.997 4.470 -0.000 0.000 0.298 129 S C 0.561 175.228 174.600 0.110 0.000 1.083 129 S CA -0.538 57.758 58.200 0.161 0.000 0.978 129 S CB 1.804 65.094 63.200 0.149 0.000 1.073 129 S HN 0.619 nan 8.310 nan 0.000 0.491 130 E N 1.650 121.923 120.200 0.122 0.000 2.033 130 E HA 0.121 4.471 4.350 -0.000 0.000 0.189 130 E C 0.363 177.001 176.600 0.063 0.000 0.979 130 E CA 1.401 57.851 56.400 0.084 0.000 0.802 130 E CB -0.129 29.624 29.700 0.089 0.000 0.763 130 E HN 0.812 nan 8.360 nan 0.000 0.449 131 T N -0.930 113.672 114.554 0.081 0.000 2.927 131 T HA 0.262 4.612 4.350 -0.000 0.000 0.286 131 T C 1.114 175.773 174.700 -0.069 0.000 1.040 131 T CA -0.365 61.742 62.100 0.012 0.000 1.010 131 T CB 1.655 70.576 68.868 0.088 0.000 1.177 131 T HN -0.174 nan 8.240 nan 0.000 0.546 132 V N -0.371 119.365 119.914 -0.298 0.000 2.490 132 V HA -0.142 3.978 4.120 -0.000 0.000 0.250 132 V C 1.726 177.629 176.094 -0.318 0.000 1.061 132 V CA 1.679 63.736 62.300 -0.406 0.000 1.064 132 V CB -0.800 30.600 31.823 -0.706 0.000 0.670 132 V HN 0.852 nan 8.190 nan 0.000 0.461 133 W N 0.224 121.568 121.300 0.073 0.000 2.467 133 W HA 0.135 4.795 4.660 -0.000 0.000 0.275 133 W C 2.414 178.991 176.519 0.098 0.000 1.239 133 W CA 0.477 57.871 57.345 0.081 0.000 1.266 133 W CB -0.632 28.887 29.460 0.098 0.000 1.112 133 W HN 0.241 nan 8.180 nan 0.000 0.576 134 G N 0.491 109.457 108.800 0.277 0.000 2.484 134 G HA2 -0.053 3.907 3.960 -0.000 0.000 0.218 134 G HA3 -0.053 3.907 3.960 -0.000 0.000 0.218 134 G C 1.641 176.598 174.900 0.095 0.000 1.130 134 G CA 0.883 46.139 45.100 0.260 0.000 0.784 134 G HN 0.269 nan 8.290 nan 0.000 0.543 135 A N 0.704 123.553 122.820 0.048 0.000 1.897 135 A HA 0.174 4.494 4.320 -0.000 0.000 0.215 135 A C 2.368 179.897 177.584 -0.092 0.000 1.181 135 A CA 0.876 52.898 52.037 -0.025 0.000 0.620 135 A CB -0.326 18.674 19.000 0.000 0.000 0.821 135 A HN 0.330 nan 8.150 nan 0.000 0.443 136 L N -0.826 120.391 121.223 -0.009 0.000 2.046 136 L HA -0.195 4.145 4.340 -0.000 0.000 0.208 136 L C 2.823 179.630 176.870 -0.104 0.000 1.077 136 L CA 1.135 55.977 54.840 0.003 0.000 0.747 136 L CB -0.543 41.607 42.059 0.152 0.000 0.896 136 L HN 0.282 nan 8.230 nan 0.000 0.432 137 R N 0.265 120.694 120.500 -0.119 0.000 2.096 137 R HA -0.084 4.256 4.340 -0.000 0.000 0.235 137 R C 2.262 178.176 176.300 -0.644 0.000 1.127 137 R CA 1.405 57.337 56.100 -0.279 0.000 0.968 137 R CB -1.268 28.993 30.300 -0.064 0.000 0.861 137 R HN 0.430 nan 8.270 nan 0.000 0.440 138 G N 1.035 109.328 108.800 -0.846 0.000 2.402 138 G HA2 -0.165 3.795 3.960 -0.000 0.000 0.216 138 G HA3 -0.165 3.795 3.960 -0.000 0.000 0.216 138 G C 1.644 176.335 174.900 -0.347 0.000 1.162 138 G CA 0.150 44.751 45.100 -0.832 0.000 0.777 138 G HN 0.170 nan 8.290 nan 0.000 0.539 139 L N 0.198 121.197 121.223 -0.374 0.000 2.079 139 L HA -0.083 4.257 4.340 -0.000 0.000 0.210 139 L C 2.781 179.291 176.870 -0.599 0.000 1.081 139 L CA 1.488 56.025 54.840 -0.505 0.000 0.752 139 L CB -0.267 41.334 42.059 -0.763 0.000 0.896 139 L HN 0.256 nan 8.230 nan 0.000 0.433 140 E N 0.086 119.999 120.200 -0.479 0.000 2.051 140 E HA -0.175 4.175 4.350 -0.000 0.000 0.192 140 E C 2.023 178.599 176.600 -0.040 0.000 0.991 140 E CA 2.027 58.336 56.400 -0.151 0.000 0.799 140 E CB -0.201 29.508 29.700 0.016 0.000 0.748 140 E HN 0.271 nan 8.360 nan 0.000 0.449 141 T N 0.299 114.809 114.554 -0.074 0.000 2.746 141 T HA -0.138 4.212 4.350 -0.000 0.000 0.267 141 T C 1.508 176.271 174.700 0.105 0.000 1.039 141 T CA 1.305 63.422 62.100 0.027 0.000 1.142 141 T CB -0.584 68.344 68.868 0.100 0.000 0.866 141 T HN 0.277 nan 8.240 nan 0.000 0.444 142 F N 2.600 122.533 119.950 -0.027 0.000 2.134 142 F HA -0.178 4.349 4.527 -0.000 0.000 0.299 142 F C 2.621 178.441 175.800 0.034 0.000 1.097 142 F CA 1.602 59.618 58.000 0.027 0.000 1.264 142 F CB -0.438 38.573 39.000 0.018 0.000 1.001 142 F HN 0.216 nan 8.300 nan 0.000 0.479 143 S N -0.368 115.403 115.700 0.119 0.000 2.399 143 S HA -0.240 4.230 4.470 -0.000 0.000 0.231 143 S C 1.696 176.299 174.600 0.005 0.000 1.022 143 S CA 1.283 59.526 58.200 0.072 0.000 0.983 143 S CB -0.770 62.561 63.200 0.218 0.000 0.803 143 S HN 0.674 nan 8.310 nan 0.000 0.480 144 Q N 0.229 120.055 119.800 0.043 0.000 2.444 144 Q HA 0.313 4.653 4.340 -0.000 0.000 0.206 144 Q C 1.493 177.547 176.000 0.089 0.000 0.948 144 Q CA 0.339 56.191 55.803 0.082 0.000 0.946 144 Q CB -0.143 28.669 28.738 0.123 0.000 1.027 144 Q HN 0.564 nan 8.270 nan 0.000 0.513 145 L N -0.067 121.167 121.223 0.018 0.000 2.585 145 L HA 0.147 4.487 4.340 -0.000 0.000 0.226 145 L C 0.239 177.177 176.870 0.113 0.000 1.113 145 L CA -0.163 54.717 54.840 0.067 0.000 0.876 145 L CB 0.743 42.824 42.059 0.037 0.000 1.072 145 L HN -0.056 nan 8.230 nan 0.000 0.468 146 V N 1.552 121.463 119.914 -0.005 0.000 2.530 146 V HA 0.120 4.240 4.120 -0.000 0.000 0.282 146 V C -0.291 175.935 176.094 0.220 0.000 1.048 146 V CA -0.305 62.017 62.300 0.037 0.000 0.997 146 V CB 0.611 32.378 31.823 -0.093 0.000 0.987 146 V HN 0.287 nan 8.190 nan 0.000 0.477 147 W N 3.292 124.616 121.300 0.039 0.000 3.083 147 W HA 0.695 5.355 4.660 -0.000 0.000 0.333 147 W C -1.436 175.051 176.519 -0.052 0.000 1.217 147 W CA -1.347 56.005 57.345 0.013 0.000 1.170 147 W CB 1.526 31.018 29.460 0.054 0.000 1.437 147 W HN 0.350 nan 8.180 nan 0.000 0.557 148 K N 2.011 122.406 120.400 -0.009 0.000 2.221 148 K HA 0.423 4.743 4.320 -0.000 0.000 0.258 148 K C 0.433 177.077 176.600 0.074 0.000 0.944 148 K CA -0.521 55.589 56.287 -0.295 0.000 0.823 148 K CB 2.640 34.858 32.500 -0.470 0.000 1.113 148 K HN 0.525 nan 8.250 nan 0.000 0.431 149 S N 0.756 116.451 115.700 -0.007 0.000 2.640 149 S HA 0.226 4.696 4.470 -0.000 0.000 0.262 149 S C 1.347 176.015 174.600 0.113 0.000 1.232 149 S CA -0.148 58.195 58.200 0.238 0.000 0.988 149 S CB 1.009 64.362 63.200 0.255 0.000 1.034 149 S HN 0.667 nan 8.310 nan 0.000 0.569 150 A N 0.126 123.021 122.820 0.125 0.000 2.019 150 A HA -0.036 4.284 4.320 -0.000 0.000 0.219 150 A C 1.875 179.478 177.584 0.033 0.000 1.164 150 A CA 1.638 53.717 52.037 0.070 0.000 0.644 150 A CB -1.070 17.972 19.000 0.070 0.000 0.805 150 A HN 0.863 nan 8.150 nan 0.000 0.449 151 E N -1.563 118.656 120.200 0.031 0.000 2.358 151 E HA 0.267 4.617 4.350 -0.000 0.000 0.195 151 E C 1.334 177.907 176.600 -0.045 0.000 1.010 151 E CA 0.837 57.238 56.400 0.002 0.000 0.856 151 E CB -0.126 29.583 29.700 0.014 0.000 0.795 151 E HN 0.770 nan 8.360 nan 0.000 0.504 152 G N 0.215 108.961 108.800 -0.089 0.000 2.159 152 G HA2 -0.245 3.715 3.960 -0.000 0.000 0.227 152 G HA3 -0.245 3.715 3.960 -0.000 0.000 0.227 152 G C 0.322 175.016 174.900 -0.344 0.000 0.986 152 G CA 0.122 45.105 45.100 -0.194 0.000 0.651 152 G HN 0.236 nan 8.290 nan 0.000 0.523 153 T N 1.526 115.901 114.554 -0.297 0.000 2.870 153 T HA 0.476 4.826 4.350 -0.000 0.000 0.300 153 T C 0.290 174.521 174.700 -0.781 0.000 0.989 153 T CA 0.197 62.020 62.100 -0.462 0.000 1.139 153 T CB 0.676 69.280 68.868 -0.440 0.000 0.920 153 T HN 0.196 nan 8.240 nan 0.000 0.537 154 F N 2.816 122.312 119.950 -0.758 0.000 2.412 154 F HA 0.536 5.063 4.527 -0.000 0.000 0.348 154 F C 0.118 175.266 175.800 -1.085 0.000 1.102 154 F CA -0.284 57.289 58.000 -0.712 0.000 1.196 154 F CB 0.455 39.196 39.000 -0.431 0.000 1.144 154 F HN 0.433 nan 8.300 nan 0.000 0.541 155 F N 2.401 122.006 119.950 -0.574 0.000 2.626 155 F HA 0.687 5.214 4.527 -0.000 0.000 0.311 155 F C -1.009 174.595 175.800 -0.326 0.000 1.088 155 F CA -1.303 56.358 58.000 -0.565 0.000 0.949 155 F CB 1.743 40.151 39.000 -0.986 0.000 1.322 155 F HN 0.031 nan 8.300 nan 0.000 0.461 156 I N 1.064 121.797 120.570 0.271 0.000 2.569 156 I HA 0.448 4.618 4.170 -0.000 0.000 0.290 156 I C -0.853 175.555 176.117 0.485 0.000 1.088 156 I CA -0.820 60.671 61.300 0.318 0.000 1.047 156 I CB 1.459 39.538 38.000 0.132 0.000 1.237 156 I HN 0.304 nan 8.210 nan 0.000 0.421 157 N N 3.146 122.120 118.700 0.457 0.000 2.493 157 N HA 0.237 4.977 4.740 -0.000 0.000 0.275 157 N C -0.266 175.439 175.510 0.325 0.000 1.186 157 N CA -0.742 52.532 53.050 0.374 0.000 0.978 157 N CB 0.814 39.452 38.487 0.251 0.000 1.184 157 N HN 0.576 nan 8.380 nan 0.000 0.487 158 K N 0.856 121.460 120.400 0.340 0.000 2.402 158 K HA 0.026 4.346 4.320 -0.000 0.000 0.279 158 K C -0.732 175.917 176.600 0.082 0.000 1.082 158 K CA 0.233 56.679 56.287 0.264 0.000 1.080 158 K CB -0.453 32.197 32.500 0.250 0.000 0.899 158 K HN 0.706 nan 8.250 nan 0.000 0.469 159 T N 1.124 115.692 114.554 0.024 0.000 2.893 159 T HA 0.350 4.700 4.350 -0.000 0.000 0.291 159 T C -0.980 173.648 174.700 -0.120 0.000 1.028 159 T CA -1.035 60.995 62.100 -0.117 0.000 0.995 159 T CB 1.871 70.672 68.868 -0.111 0.000 1.051 159 T HN 0.519 nan 8.240 nan 0.000 0.470 160 E N 1.445 121.508 120.200 -0.228 0.000 2.279 160 E HA 0.591 4.941 4.350 -0.000 0.000 0.252 160 E C -1.767 174.716 176.600 -0.195 0.000 0.894 160 E CA -0.541 55.769 56.400 -0.150 0.000 0.785 160 E CB 0.530 30.163 29.700 -0.110 0.000 1.237 160 E HN 0.643 nan 8.360 nan 0.000 0.418 161 I N 2.912 123.416 120.570 -0.109 0.000 2.465 161 I HA 0.372 4.542 4.170 -0.000 0.000 0.291 161 I C -0.510 175.553 176.117 -0.090 0.000 1.014 161 I CA -0.474 60.773 61.300 -0.088 0.000 1.093 161 I CB 2.122 40.125 38.000 0.006 0.000 1.267 161 I HN 0.439 nan 8.210 nan 0.000 0.431 162 E N 4.869 125.007 120.200 -0.104 0.000 2.325 162 E HA 0.366 4.716 4.350 -0.000 0.000 0.248 162 E C -1.775 174.743 176.600 -0.137 0.000 0.912 162 E CA -0.459 55.879 56.400 -0.103 0.000 0.782 162 E CB 1.121 30.817 29.700 -0.007 0.000 1.264 162 E HN 0.541 nan 8.360 nan 0.000 0.417 163 D N 3.562 123.756 120.400 -0.344 0.000 2.433 163 D HA 0.557 5.197 4.640 -0.000 0.000 0.236 163 D C -1.429 174.798 176.300 -0.121 0.000 1.026 163 D CA -0.370 53.432 54.000 -0.329 0.000 0.884 163 D CB 1.038 41.640 40.800 -0.330 0.000 1.384 163 D HN 0.350 nan 8.370 nan 0.000 0.477 164 F N -0.455 119.356 119.950 -0.232 0.000 2.672 164 F HA 0.553 5.080 4.527 -0.000 0.000 0.311 164 F C -2.926 172.338 175.800 -0.892 0.000 1.113 164 F CA -2.040 55.729 58.000 -0.384 0.000 0.996 164 F CB 0.943 39.795 39.000 -0.247 0.000 1.286 164 F HN -0.022 nan 8.300 nan 0.000 0.441 165 P HA 0.144 nan 4.420 nan 0.000 0.271 165 P C 0.039 177.031 177.300 -0.513 0.000 1.216 165 P CA -0.130 62.215 63.100 -1.258 0.000 0.771 165 P CB 1.877 33.145 31.700 -0.719 0.000 0.864 166 R N 2.391 122.595 120.500 -0.494 0.000 2.062 166 R HA 0.016 4.356 4.340 -0.000 0.000 0.229 166 R C 0.083 176.094 176.300 -0.481 0.000 1.128 166 R CA 1.124 56.959 56.100 -0.442 0.000 0.960 166 R CB -0.064 29.923 30.300 -0.523 0.000 0.855 166 R HN 0.366 nan 8.270 nan 0.000 0.432 167 F N 0.341 120.300 119.950 0.014 0.000 2.469 167 F HA 0.372 4.899 4.527 -0.000 0.000 0.332 167 F C -1.432 174.414 175.800 0.078 0.000 1.103 167 F CA -2.954 55.093 58.000 0.077 0.000 0.979 167 F CB 1.887 40.968 39.000 0.136 0.000 1.137 167 F HN -0.040 nan 8.300 nan 0.000 0.463 168 P HA -0.151 nan 4.420 nan 0.000 0.225 168 P C 0.059 177.488 177.300 0.215 0.000 1.156 168 P CA 1.332 64.547 63.100 0.191 0.000 0.787 168 P CB 0.356 32.151 31.700 0.160 0.000 0.802 169 H N 1.380 120.548 119.070 0.162 0.000 2.673 169 H HA 0.379 4.935 4.556 -0.000 0.000 0.293 169 H C -0.547 174.862 175.328 0.135 0.000 1.065 169 H CA -0.512 55.602 56.048 0.110 0.000 1.236 169 H CB 0.491 30.282 29.762 0.047 0.000 1.389 169 H HN -0.037 nan 8.280 nan 0.000 0.481 170 R N 3.619 124.108 120.500 -0.017 0.000 2.467 170 R HA 0.428 4.767 4.340 -0.000 0.000 0.299 170 R C -0.209 176.072 176.300 -0.032 0.000 1.120 170 R CA -0.760 55.382 56.100 0.070 0.000 0.940 170 R CB 1.898 32.300 30.300 0.169 0.000 1.161 170 R HN 0.592 nan 8.270 nan 0.000 0.506 171 G N 1.727 110.525 108.800 -0.004 0.000 2.816 171 G HA2 0.734 4.694 3.960 -0.000 0.000 0.288 171 G HA3 0.734 4.694 3.960 -0.000 0.000 0.288 171 G C -1.540 173.381 174.900 0.035 0.000 1.334 171 G CA -0.655 44.446 45.100 0.000 0.000 0.978 171 G HN 0.324 nan 8.290 nan 0.000 0.493 172 L N 0.315 121.560 121.223 0.037 0.000 2.470 172 L HA 0.590 4.930 4.340 -0.000 0.000 0.268 172 L C -1.330 175.488 176.870 -0.088 0.000 0.964 172 L CA -0.853 53.969 54.840 -0.030 0.000 0.839 172 L CB 1.999 44.071 42.059 0.021 0.000 1.276 172 L HN 0.512 nan 8.230 nan 0.000 0.403 173 L N 4.862 125.920 121.223 -0.275 0.000 2.275 173 L HA 0.512 4.852 4.340 -0.000 0.000 0.288 173 L C -1.485 175.097 176.870 -0.479 0.000 1.046 173 L CA -0.574 53.983 54.840 -0.472 0.000 0.805 173 L CB 1.285 42.828 42.059 -0.860 0.000 1.193 173 L HN 0.533 nan 8.230 nan 0.000 0.426 174 L N 4.974 125.974 121.223 -0.372 0.000 2.325 174 L HA 0.416 4.756 4.340 -0.000 0.000 0.281 174 L C -0.532 176.241 176.870 -0.162 0.000 1.004 174 L CA -0.221 54.470 54.840 -0.248 0.000 0.823 174 L CB 1.518 43.532 42.059 -0.075 0.000 1.236 174 L HN 0.489 nan 8.230 nan 0.000 0.415 175 D N 1.453 121.766 120.400 -0.146 0.000 2.313 175 D HA 0.221 4.861 4.640 -0.000 0.000 0.239 175 D C 0.554 176.989 176.300 0.226 0.000 1.142 175 D CA -0.076 53.971 54.000 0.078 0.000 0.847 175 D CB 1.229 42.091 40.800 0.103 0.000 1.082 175 D HN 0.593 nan 8.370 nan 0.000 0.480 176 T N -0.029 114.747 114.554 0.370 0.000 3.266 176 T HA 0.159 4.509 4.350 -0.000 0.000 0.278 176 T C 1.084 176.050 174.700 0.443 0.000 1.010 176 T CA -0.281 62.081 62.100 0.437 0.000 0.909 176 T CB 0.239 69.488 68.868 0.636 0.000 1.122 176 T HN 0.147 nan 8.240 nan 0.000 0.536 177 S N 0.702 116.617 115.700 0.358 0.000 2.591 177 S HA 0.182 4.652 4.470 -0.000 0.000 0.235 177 S C 1.972 176.736 174.600 0.274 0.000 1.074 177 S CA -0.134 58.230 58.200 0.274 0.000 0.925 177 S CB -0.000 63.329 63.200 0.216 0.000 0.818 177 S HN 0.311 nan 8.310 nan 0.000 0.535 178 R N 0.627 121.270 120.500 0.239 0.000 2.115 178 R HA 0.223 4.563 4.340 -0.000 0.000 0.230 178 R C -0.073 176.210 176.300 -0.027 0.000 1.111 178 R CA 1.105 57.279 56.100 0.123 0.000 0.976 178 R CB -0.353 30.005 30.300 0.098 0.000 0.870 178 R HN 0.511 nan 8.270 nan 0.000 0.445 179 H N -2.574 116.663 119.070 0.279 0.000 2.966 179 H HA 0.182 4.738 4.556 -0.000 0.000 0.347 179 H C -1.630 173.902 175.328 0.340 0.000 1.048 179 H CA -0.914 55.276 56.048 0.236 0.000 1.295 179 H CB 1.139 30.973 29.762 0.120 0.000 1.744 179 H HN -0.012 nan 8.280 nan 0.000 0.513 180 Y N 3.933 124.465 120.300 0.386 0.000 2.425 180 Y HA 0.294 4.844 4.550 -0.000 0.000 0.331 180 Y C -0.977 175.114 175.900 0.317 0.000 1.157 180 Y CA -0.183 58.151 58.100 0.390 0.000 1.372 180 Y CB 0.412 39.134 38.460 0.436 0.000 1.253 180 Y HN 0.469 nan 8.280 nan 0.000 0.536 181 L N 9.232 130.265 121.223 -0.315 0.000 2.313 181 L HA 0.445 4.785 4.340 -0.000 0.000 0.283 181 L C -2.262 174.328 176.870 -0.466 0.000 1.013 181 L CA -2.329 52.376 54.840 -0.225 0.000 0.816 181 L CB 1.561 43.595 42.059 -0.042 0.000 1.236 181 L HN 0.556 nan 8.230 nan 0.000 0.419 182 P HA -0.041 nan 4.420 nan 0.000 0.269 182 P C 0.586 177.881 177.300 -0.009 0.000 1.217 182 P CA -0.385 62.681 63.100 -0.057 0.000 0.783 182 P CB 0.771 32.483 31.700 0.021 0.000 0.898 183 L N 2.633 123.899 121.223 0.072 0.000 2.012 183 L HA -0.216 4.124 4.340 -0.000 0.000 0.210 183 L C 2.228 179.057 176.870 -0.069 0.000 1.073 183 L CA 2.562 57.437 54.840 0.059 0.000 0.748 183 L CB -1.609 40.504 42.059 0.090 0.000 0.891 183 L HN 0.458 nan 8.230 nan 0.000 0.431 184 S N -2.082 113.580 115.700 -0.063 0.000 2.370 184 S HA -0.202 4.268 4.470 -0.000 0.000 0.226 184 S C 2.030 176.555 174.600 -0.124 0.000 1.033 184 S CA 1.427 59.565 58.200 -0.104 0.000 1.011 184 S CB -0.977 62.191 63.200 -0.054 0.000 0.852 184 S HN 0.501 nan 8.310 nan 0.000 0.457 185 S N 2.217 117.863 115.700 -0.090 0.000 2.383 185 S HA 0.043 4.513 4.470 -0.000 0.000 0.229 185 S C 1.814 176.324 174.600 -0.151 0.000 1.030 185 S CA 1.565 59.711 58.200 -0.091 0.000 1.002 185 S CB -0.566 62.595 63.200 -0.064 0.000 0.829 185 S HN 0.568 nan 8.310 nan 0.000 0.467 186 I N 1.223 121.667 120.570 -0.209 0.000 2.286 186 I HA -0.123 4.047 4.170 -0.000 0.000 0.245 186 I C 2.032 177.893 176.117 -0.427 0.000 1.104 186 I CA 0.936 62.024 61.300 -0.354 0.000 1.397 186 I CB -0.471 37.281 38.000 -0.415 0.000 1.072 186 I HN 0.212 nan 8.210 nan 0.000 0.417 187 L N 0.514 121.481 121.223 -0.427 0.000 2.042 187 L HA -0.244 4.096 4.340 -0.000 0.000 0.210 187 L C 2.154 178.797 176.870 -0.380 0.000 1.076 187 L CA 1.298 55.759 54.840 -0.631 0.000 0.749 187 L CB -0.792 40.736 42.059 -0.885 0.000 0.893 187 L HN 0.265 nan 8.230 nan 0.000 0.432 188 D N -0.537 119.716 120.400 -0.244 0.000 2.144 188 D HA -0.141 4.499 4.640 -0.000 0.000 0.199 188 D C 2.205 178.431 176.300 -0.123 0.000 0.984 188 D CA 1.582 55.502 54.000 -0.134 0.000 0.834 188 D CB -0.250 40.504 40.800 -0.078 0.000 0.955 188 D HN 0.260 nan 8.370 nan 0.000 0.465 189 T N 1.144 115.624 114.554 -0.123 0.000 2.746 189 T HA -0.079 4.271 4.350 -0.000 0.000 0.267 189 T C 2.218 176.853 174.700 -0.108 0.000 1.039 189 T CA 0.556 62.637 62.100 -0.032 0.000 1.142 189 T CB -0.249 68.563 68.868 -0.093 0.000 0.866 189 T HN 0.140 nan 8.240 nan 0.000 0.444 190 L N 0.904 121.991 121.223 -0.228 0.000 2.046 190 L HA -0.129 4.211 4.340 -0.000 0.000 0.208 190 L C 2.542 179.294 176.870 -0.196 0.000 1.077 190 L CA 1.158 55.883 54.840 -0.192 0.000 0.747 190 L CB -0.630 41.356 42.059 -0.121 0.000 0.896 190 L HN 0.173 nan 8.230 nan 0.000 0.432 191 D N -0.122 120.151 120.400 -0.212 0.000 2.104 191 D HA -0.156 4.484 4.640 -0.000 0.000 0.194 191 D C 2.276 178.001 176.300 -0.960 0.000 0.994 191 D CA 1.376 55.083 54.000 -0.488 0.000 0.830 191 D CB -0.158 40.437 40.800 -0.341 0.000 0.959 191 D HN 0.162 nan 8.370 nan 0.000 0.452 192 V N 0.856 120.365 119.914 -0.674 0.000 2.548 192 V HA -0.172 3.948 4.120 -0.000 0.000 0.249 192 V C 2.507 178.215 176.094 -0.644 0.000 1.055 192 V CA 0.993 62.830 62.300 -0.771 0.000 1.065 192 V CB -0.425 30.760 31.823 -1.064 0.000 0.681 192 V HN 0.167 nan 8.190 nan 0.000 0.462 193 M N 0.310 119.715 119.600 -0.325 0.000 2.159 193 M HA -0.146 4.334 4.480 -0.000 0.000 0.263 193 M C 2.301 178.534 176.300 -0.112 0.000 1.063 193 M CA 2.072 57.330 55.300 -0.069 0.000 1.110 193 M CB -0.478 32.145 32.600 0.037 0.000 1.374 193 M HN 0.415 nan 8.290 nan 0.000 0.411 194 A N -0.749 121.931 122.820 -0.233 0.000 2.014 194 A HA -0.117 4.203 4.320 -0.000 0.000 0.218 194 A C 1.663 179.211 177.584 -0.060 0.000 1.163 194 A CA 1.030 52.969 52.037 -0.164 0.000 0.652 194 A CB -0.690 18.180 19.000 -0.217 0.000 0.808 194 A HN 0.419 nan 8.150 nan 0.000 0.449 195 Y N 1.022 121.286 120.300 -0.060 0.000 2.163 195 Y HA -0.086 4.464 4.550 -0.000 0.000 0.288 195 Y C 1.812 177.759 175.900 0.079 0.000 1.136 195 Y CA 0.198 58.315 58.100 0.028 0.000 1.147 195 Y CB -0.981 37.459 38.460 -0.034 0.000 0.987 195 Y HN 0.365 nan 8.280 nan 0.000 0.509 196 N N 0.426 119.233 118.700 0.179 0.000 2.327 196 N HA 0.066 4.806 4.740 -0.000 0.000 0.285 196 N C 0.029 175.520 175.510 -0.032 0.000 1.299 196 N CA -0.111 52.992 53.050 0.088 0.000 0.944 196 N CB 0.193 38.787 38.487 0.178 0.000 1.067 196 N HN 0.045 nan 8.380 nan 0.000 0.514 197 K N 0.744 121.108 120.400 -0.059 0.000 2.934 197 K HA 0.298 4.618 4.320 -0.000 0.000 0.210 197 K C -0.978 175.667 176.600 0.075 0.000 1.122 197 K CA -0.265 55.964 56.287 -0.097 0.000 1.033 197 K CB 0.382 32.599 32.500 -0.472 0.000 0.779 197 K HN 0.218 nan 8.250 nan 0.000 0.459 198 L N 2.260 123.535 121.223 0.087 0.000 2.367 198 L HA 0.111 4.451 4.340 -0.000 0.000 0.275 198 L C 0.941 177.847 176.870 0.060 0.000 1.129 198 L CA 0.442 55.340 54.840 0.097 0.000 0.839 198 L CB 0.299 42.430 42.059 0.120 0.000 1.133 198 L HN 0.394 nan 8.230 nan 0.000 0.453 199 N N 1.163 119.884 118.700 0.035 0.000 2.170 199 N HA 0.060 4.800 4.740 -0.000 0.000 0.222 199 N C -0.564 174.912 175.510 -0.058 0.000 1.218 199 N CA -0.109 52.936 53.050 -0.008 0.000 0.889 199 N CB 0.700 39.191 38.487 0.006 0.000 1.083 199 N HN 0.210 nan 8.380 nan 0.000 0.520 200 V N 1.804 121.674 119.914 -0.074 0.000 2.409 200 V HA 0.371 4.491 4.120 -0.000 0.000 0.290 200 V C -1.396 174.726 176.094 0.046 0.000 1.017 200 V CA -0.919 61.323 62.300 -0.097 0.000 0.841 200 V CB 1.268 32.852 31.823 -0.398 0.000 1.003 200 V HN 0.166 nan 8.190 nan 0.000 0.426 201 F N 4.928 124.838 119.950 -0.065 0.000 2.334 201 F HA 0.421 4.948 4.527 -0.000 0.000 0.365 201 F C 0.560 176.343 175.800 -0.028 0.000 1.124 201 F CA -0.750 57.207 58.000 -0.071 0.000 1.166 201 F CB 0.125 39.054 39.000 -0.118 0.000 1.355 201 F HN 0.689 nan 8.300 nan 0.000 0.532 202 H N 6.510 125.308 119.070 -0.453 0.000 3.513 202 H HA 0.015 4.571 4.556 -0.000 0.000 0.253 202 H C -0.298 174.585 175.328 -0.742 0.000 1.514 202 H CA -0.012 55.759 56.048 -0.462 0.000 1.565 202 H CB -0.096 29.485 29.762 -0.302 0.000 1.776 202 H HN 0.811 nan 8.280 nan 0.000 0.562 203 W N 5.712 126.440 121.300 -0.954 0.000 2.381 203 W HA -0.026 4.634 4.660 -0.000 0.000 0.321 203 W C 0.236 176.487 176.519 -0.446 0.000 1.407 203 W CA -0.321 56.493 57.345 -0.884 0.000 1.274 203 W CB 0.341 29.409 29.460 -0.653 0.000 1.310 203 W HN 0.626 nan 8.180 nan 0.000 0.551 204 H N 7.335 126.554 119.070 0.248 0.000 2.360 204 H HA 0.082 4.638 4.556 -0.000 0.000 0.233 204 H C 0.815 176.140 175.328 -0.006 0.000 1.473 204 H CA -0.304 55.765 56.048 0.034 0.000 1.352 204 H CB 0.271 30.030 29.762 -0.004 0.000 1.493 204 H HN 0.449 nan 8.280 nan 0.000 0.533 205 L N 2.211 123.089 121.223 -0.576 0.000 1.990 205 L HA -0.192 4.148 4.340 -0.000 0.000 0.213 205 L C 1.306 177.924 176.870 -0.420 0.000 1.072 205 L CA 1.632 55.999 54.840 -0.788 0.000 0.755 205 L CB -0.670 40.592 42.059 -1.330 0.000 0.889 205 L HN 0.340 nan 8.230 nan 0.000 0.432 206 V N -4.808 114.754 119.914 -0.587 0.000 3.046 206 V HA 0.792 4.912 4.120 -0.000 0.000 0.316 206 V C -0.699 175.366 176.094 -0.049 0.000 1.104 206 V CA -0.812 61.284 62.300 -0.341 0.000 1.006 206 V CB 2.339 33.759 31.823 -0.672 0.000 1.058 206 V HN 0.216 nan 8.190 nan 0.000 0.440 207 D N -0.591 119.912 120.400 0.171 0.000 2.827 207 D HA 0.124 4.764 4.640 -0.000 0.000 0.336 207 D C 0.117 176.582 176.300 0.275 0.000 1.374 207 D CA -0.050 54.129 54.000 0.299 0.000 0.794 207 D CB 1.844 42.843 40.800 0.333 0.000 1.364 207 D HN 0.602 nan 8.370 nan 0.000 0.464 208 D N 0.304 120.849 120.400 0.243 0.000 2.230 208 D HA -0.153 4.487 4.640 -0.000 0.000 0.189 208 D C -0.951 175.403 176.300 0.089 0.000 1.006 208 D CA 2.066 56.157 54.000 0.151 0.000 0.853 208 D CB -1.095 39.756 40.800 0.086 0.000 0.959 208 D HN 0.357 nan 8.370 nan 0.000 0.449 209 P HA -0.058 nan 4.420 nan 0.000 0.215 209 P C 0.535 177.709 177.300 -0.209 0.000 1.157 209 P CA 1.554 64.632 63.100 -0.038 0.000 0.863 209 P CB 0.154 31.866 31.700 0.020 0.000 0.787 210 S N -2.135 113.433 115.700 -0.218 0.000 2.618 210 S HA 0.600 5.070 4.470 -0.000 0.000 0.277 210 S C -1.375 173.201 174.600 -0.040 0.000 1.138 210 S CA -0.786 57.213 58.200 -0.336 0.000 0.844 210 S CB 1.450 64.110 63.200 -0.900 0.000 1.127 210 S HN -0.017 nan 8.310 nan 0.000 0.474 211 F N 2.830 122.688 119.950 -0.153 0.000 2.686 211 F HA 0.481 5.008 4.527 -0.000 0.000 0.365 211 F C -2.175 173.622 175.800 -0.004 0.000 1.196 211 F CA -2.032 55.916 58.000 -0.088 0.000 1.198 211 F CB 2.112 40.994 39.000 -0.196 0.000 1.454 211 F HN 0.458 nan 8.300 nan 0.000 0.539 212 P HA -0.123 nan 4.420 nan 0.000 0.231 212 P C 0.033 177.534 177.300 0.335 0.000 1.168 212 P CA 0.647 63.889 63.100 0.237 0.000 0.779 212 P CB -0.084 31.840 31.700 0.374 0.000 0.844 213 Y N 2.372 122.764 120.300 0.153 0.000 2.442 213 Y HA 0.164 4.714 4.550 -0.000 0.000 0.330 213 Y C 0.486 176.585 175.900 0.331 0.000 1.129 213 Y CA -0.839 57.385 58.100 0.207 0.000 1.365 213 Y CB 0.196 38.681 38.460 0.042 0.000 1.233 213 Y HN -0.140 nan 8.280 nan 0.000 0.529 214 E N 4.413 124.351 120.200 -0.437 0.000 2.167 214 E HA 0.304 4.654 4.350 -0.000 0.000 0.284 214 E C -1.133 175.000 176.600 -0.780 0.000 1.016 214 E CA -0.438 55.724 56.400 -0.396 0.000 0.817 214 E CB 0.763 30.374 29.700 -0.147 0.000 1.080 214 E HN 0.619 nan 8.360 nan 0.000 0.397 215 S N 3.676 119.139 115.700 -0.395 0.000 2.501 215 S HA 0.294 4.764 4.470 -0.000 0.000 0.301 215 S C 0.277 174.790 174.600 -0.146 0.000 1.096 215 S CA -0.772 57.246 58.200 -0.305 0.000 1.063 215 S CB 0.440 63.657 63.200 0.028 0.000 1.042 215 S HN 0.565 nan 8.310 nan 0.000 0.494 216 F N 1.982 121.879 119.950 -0.088 0.000 2.698 216 F HA 0.207 4.734 4.527 -0.000 0.000 0.295 216 F C 2.080 177.806 175.800 -0.123 0.000 1.124 216 F CA 0.540 58.486 58.000 -0.091 0.000 1.426 216 F CB -1.257 37.690 39.000 -0.088 0.000 1.120 216 F HN 0.589 nan 8.300 nan 0.000 0.583 217 T N -2.440 111.914 114.554 -0.333 0.000 2.978 217 T HA 0.103 4.453 4.350 -0.000 0.000 0.262 217 T C 0.121 174.418 174.700 -0.672 0.000 1.063 217 T CA 0.630 62.472 62.100 -0.429 0.000 1.140 217 T CB -0.612 67.954 68.868 -0.503 0.000 0.886 217 T HN 0.135 nan 8.240 nan 0.000 0.470 218 F N 1.549 121.480 119.950 -0.032 0.000 2.824 218 F HA 0.440 4.967 4.527 -0.000 0.000 0.375 218 F C -2.440 173.325 175.800 -0.059 0.000 1.190 218 F CA -2.584 55.411 58.000 -0.008 0.000 1.180 218 F CB 2.084 41.110 39.000 0.044 0.000 1.477 218 F HN -0.081 nan 8.300 nan 0.000 0.542 219 P HA -0.070 nan 4.420 nan 0.000 0.233 219 P C 1.139 178.433 177.300 -0.009 0.000 1.167 219 P CA 1.020 64.131 63.100 0.019 0.000 0.770 219 P CB 0.417 32.128 31.700 0.017 0.000 0.837 220 E N -0.719 119.484 120.200 0.004 0.000 2.435 220 E HA 0.059 4.409 4.350 -0.000 0.000 0.195 220 E C 1.876 178.381 176.600 -0.157 0.000 1.029 220 E CA 0.276 56.645 56.400 -0.053 0.000 0.865 220 E CB -0.430 29.253 29.700 -0.028 0.000 0.833 220 E HN 0.350 nan 8.360 nan 0.000 0.510 221 L N 0.352 121.429 121.223 -0.243 0.000 2.027 221 L HA -0.102 4.238 4.340 -0.000 0.000 0.206 221 L C 2.565 179.149 176.870 -0.477 0.000 1.074 221 L CA 1.017 55.501 54.840 -0.594 0.000 0.745 221 L CB -0.369 41.096 42.059 -0.991 0.000 0.898 221 L HN 0.177 nan 8.230 nan 0.000 0.433 222 M N -0.700 118.781 119.600 -0.198 0.000 2.236 222 M HA -0.106 4.374 4.480 -0.000 0.000 0.266 222 M C 2.374 178.653 176.300 -0.035 0.000 1.070 222 M CA 1.462 56.761 55.300 -0.001 0.000 1.137 222 M CB -0.559 32.065 32.600 0.040 0.000 1.378 222 M HN 0.121 nan 8.290 nan 0.000 0.426 223 R N 0.750 121.213 120.500 -0.062 0.000 2.105 223 R HA -0.126 4.214 4.340 -0.000 0.000 0.239 223 R C 1.600 177.864 176.300 -0.059 0.000 1.135 223 R CA 1.370 57.441 56.100 -0.049 0.000 0.967 223 R CB -0.324 29.950 30.300 -0.043 0.000 0.861 223 R HN 0.309 nan 8.270 nan 0.000 0.442 224 K N -1.981 118.363 120.400 -0.093 0.000 2.367 224 K HA 0.175 4.495 4.320 -0.000 0.000 0.195 224 K C 1.468 178.007 176.600 -0.101 0.000 1.060 224 K CA 0.637 56.867 56.287 -0.094 0.000 1.022 224 K CB 0.592 33.025 32.500 -0.112 0.000 0.894 224 K HN 0.210 nan 8.250 nan 0.000 0.540 225 G N 0.071 108.804 108.800 -0.113 0.000 2.796 225 G HA2 -0.034 3.926 3.960 -0.000 0.000 0.210 225 G HA3 -0.034 3.926 3.960 -0.000 0.000 0.210 225 G C 0.302 175.170 174.900 -0.053 0.000 1.146 225 G CA 0.030 45.084 45.100 -0.077 0.000 0.779 225 G HN 0.288 nan 8.290 nan 0.000 0.535 226 S N -0.824 114.851 115.700 -0.041 0.000 2.632 226 S HA 0.380 4.850 4.470 -0.000 0.000 0.271 226 S C 0.904 175.437 174.600 -0.111 0.000 1.260 226 S CA -0.656 57.500 58.200 -0.072 0.000 1.010 226 S CB 1.077 64.279 63.200 0.003 0.000 0.965 226 S HN 0.150 nan 8.310 nan 0.000 0.534 227 Y N 1.826 122.080 120.300 -0.076 0.000 2.128 227 Y HA -0.002 4.548 4.550 -0.000 0.000 0.284 227 Y C 1.492 177.305 175.900 -0.145 0.000 1.154 227 Y CA 1.648 59.651 58.100 -0.163 0.000 1.149 227 Y CB -0.268 37.980 38.460 -0.354 0.000 0.976 227 Y HN 0.825 nan 8.280 nan 0.000 0.505 228 N N -0.437 118.294 118.700 0.051 0.000 2.519 228 N HA 0.183 4.923 4.740 -0.000 0.000 0.291 228 N C -2.722 172.805 175.510 0.029 0.000 1.107 228 N CA -1.561 51.523 53.050 0.057 0.000 0.904 228 N CB 1.625 40.200 38.487 0.146 0.000 1.500 228 N HN -0.300 nan 8.380 nan 0.000 0.510 229 P HA 0.000 nan 4.420 nan 0.000 0.263 229 P C 0.170 177.462 177.300 -0.014 0.000 1.386 229 P CA 0.531 63.626 63.100 -0.008 0.000 0.797 229 P CB 0.516 32.211 31.700 -0.009 0.000 1.381 230 V N -1.036 118.866 119.914 -0.019 0.000 3.193 230 V HA -0.017 4.103 4.120 -0.000 0.000 0.237 230 V C 2.110 178.165 176.094 -0.066 0.000 1.447 230 V CA 1.623 63.905 62.300 -0.029 0.000 1.227 230 V CB 0.295 32.109 31.823 -0.014 0.000 1.040 230 V HN 0.175 nan 8.190 nan 0.000 0.458 231 T N -1.918 112.583 114.554 -0.089 0.000 2.904 231 T HA 0.041 4.391 4.350 -0.000 0.000 0.243 231 T C 0.970 175.382 174.700 -0.480 0.000 1.024 231 T CA 1.117 63.088 62.100 -0.215 0.000 1.158 231 T CB -0.584 68.151 68.868 -0.221 0.000 0.867 231 T HN 0.519 nan 8.240 nan 0.000 0.429 232 H N 2.160 120.899 119.070 -0.551 0.000 2.970 232 H HA 0.481 5.037 4.556 -0.000 0.000 0.226 232 H C -0.597 174.107 175.328 -1.041 0.000 1.909 232 H CA -0.436 54.793 56.048 -1.365 0.000 1.388 232 H CB -0.820 28.457 29.762 -0.808 0.000 1.773 232 H HN 0.267 nan 8.280 nan 0.000 0.559 233 I N 1.092 121.292 120.570 -0.617 0.000 2.647 233 I HA 0.167 4.337 4.170 -0.000 0.000 0.295 233 I C -0.523 175.569 176.117 -0.041 0.000 1.078 233 I CA -1.116 60.070 61.300 -0.190 0.000 1.048 233 I CB 1.624 39.584 38.000 -0.067 0.000 1.239 233 I HN 0.307 nan 8.210 nan 0.000 0.421 234 Y N 3.378 123.863 120.300 0.308 0.000 2.491 234 Y HA 0.297 4.847 4.550 -0.000 0.000 0.334 234 Y C 1.232 177.242 175.900 0.183 0.000 0.969 234 Y CA -0.761 57.520 58.100 0.302 0.000 1.241 234 Y CB 1.350 40.023 38.460 0.354 0.000 1.105 234 Y HN 0.587 nan 8.280 nan 0.000 0.503 235 T N -1.536 113.181 114.554 0.270 0.000 2.754 235 T HA 0.386 4.736 4.350 -0.000 0.000 0.286 235 T C 1.474 176.274 174.700 0.167 0.000 0.997 235 T CA -0.173 62.020 62.100 0.155 0.000 0.982 235 T CB 1.345 70.280 68.868 0.111 0.000 1.027 235 T HN 0.639 nan 8.240 nan 0.000 0.529 236 A N 0.223 123.110 122.820 0.111 0.000 1.883 236 A HA -0.134 4.186 4.320 -0.000 0.000 0.217 236 A C 2.442 180.089 177.584 0.105 0.000 1.186 236 A CA 2.220 54.325 52.037 0.115 0.000 0.624 236 A CB -1.425 17.630 19.000 0.091 0.000 0.822 236 A HN 0.968 nan 8.150 nan 0.000 0.444 237 Q N 0.244 120.099 119.800 0.092 0.000 2.045 237 Q HA -0.244 4.096 4.340 -0.000 0.000 0.206 237 Q C 1.448 177.518 176.000 0.117 0.000 0.991 237 Q CA 2.434 58.289 55.803 0.086 0.000 0.851 237 Q CB -0.398 28.384 28.738 0.073 0.000 0.911 237 Q HN 0.620 nan 8.270 nan 0.000 0.418 238 D N -0.697 119.800 120.400 0.162 0.000 2.104 238 D HA -0.153 4.487 4.640 -0.000 0.000 0.194 238 D C 1.960 178.393 176.300 0.220 0.000 0.994 238 D CA 1.687 55.815 54.000 0.213 0.000 0.830 238 D CB -0.396 40.603 40.800 0.331 0.000 0.959 238 D HN 0.222 nan 8.370 nan 0.000 0.452 239 V N 1.458 121.506 119.914 0.224 0.000 2.343 239 V HA -0.218 3.902 4.120 -0.000 0.000 0.247 239 V C 2.387 178.554 176.094 0.122 0.000 1.051 239 V CA 1.422 63.836 62.300 0.190 0.000 1.036 239 V CB -0.345 31.542 31.823 0.106 0.000 0.654 239 V HN 0.133 nan 8.190 nan 0.000 0.451 240 K N 0.162 120.614 120.400 0.086 0.000 2.032 240 K HA -0.226 4.094 4.320 -0.000 0.000 0.209 240 K C 2.143 178.802 176.600 0.099 0.000 1.048 240 K CA 1.817 58.144 56.287 0.068 0.000 0.927 240 K CB -0.406 32.127 32.500 0.054 0.000 0.712 240 K HN 0.622 nan 8.250 nan 0.000 0.441 241 E N 0.778 121.043 120.200 0.109 0.000 2.077 241 E HA -0.136 4.214 4.350 -0.000 0.000 0.193 241 E C 1.972 178.653 176.600 0.135 0.000 0.989 241 E CA 0.881 57.350 56.400 0.116 0.000 0.800 241 E CB 0.185 29.941 29.700 0.093 0.000 0.746 241 E HN -0.032 nan 8.360 nan 0.000 0.452 242 V N 1.248 121.240 119.914 0.130 0.000 2.343 242 V HA -0.279 3.841 4.120 -0.000 0.000 0.247 242 V C 2.315 178.509 176.094 0.166 0.000 1.051 242 V CA 1.750 64.118 62.300 0.114 0.000 1.036 242 V CB -0.398 31.540 31.823 0.192 0.000 0.654 242 V HN 0.361 nan 8.190 nan 0.000 0.451 243 I N -0.086 120.604 120.570 0.199 0.000 2.394 243 I HA -0.183 3.987 4.170 -0.000 0.000 0.251 243 I C 2.553 178.761 176.117 0.151 0.000 1.136 243 I CA 1.503 62.920 61.300 0.196 0.000 1.425 243 I CB -0.274 37.832 38.000 0.176 0.000 1.079 243 I HN 0.340 nan 8.210 nan 0.000 0.425 244 E N 0.667 120.952 120.200 0.141 0.000 2.076 244 E HA -0.225 4.125 4.350 -0.000 0.000 0.190 244 E C 2.111 178.786 176.600 0.124 0.000 0.979 244 E CA 1.196 57.669 56.400 0.121 0.000 0.807 244 E CB -0.376 29.387 29.700 0.105 0.000 0.761 244 E HN 0.455 nan 8.360 nan 0.000 0.454 245 Y N 0.244 120.554 120.300 0.017 0.000 2.181 245 Y HA -0.176 4.374 4.550 -0.000 0.000 0.288 245 Y C 2.075 177.956 175.900 -0.033 0.000 1.146 245 Y CA 1.972 60.062 58.100 -0.017 0.000 1.164 245 Y CB -0.357 38.074 38.460 -0.048 0.000 0.982 245 Y HN 0.163 nan 8.280 nan 0.000 0.515 246 A N 0.180 123.092 122.820 0.154 0.000 1.929 246 A HA -0.152 4.168 4.320 -0.000 0.000 0.216 246 A C 2.319 179.916 177.584 0.021 0.000 1.176 246 A CA 1.450 53.522 52.037 0.058 0.000 0.628 246 A CB -0.718 18.317 19.000 0.059 0.000 0.816 246 A HN 0.499 nan 8.150 nan 0.000 0.444 247 R N -0.174 120.358 120.500 0.054 0.000 2.091 247 R HA -0.092 4.248 4.340 -0.000 0.000 0.238 247 R C 1.824 178.214 176.300 0.150 0.000 1.136 247 R CA 1.618 57.760 56.100 0.070 0.000 0.959 247 R CB -0.436 29.936 30.300 0.120 0.000 0.856 247 R HN 0.534 nan 8.270 nan 0.000 0.437 248 L N -0.062 121.209 121.223 0.079 0.000 2.265 248 L HA -0.120 4.220 4.340 -0.000 0.000 0.215 248 L C 1.763 178.675 176.870 0.070 0.000 1.117 248 L CA 1.206 56.083 54.840 0.062 0.000 0.782 248 L CB -0.126 41.882 42.059 -0.085 0.000 0.914 248 L HN 0.154 nan 8.230 nan 0.000 0.441 249 R N -0.430 120.081 120.500 0.019 0.000 2.468 249 R HA 0.216 4.556 4.340 -0.000 0.000 0.280 249 R C 0.889 177.234 176.300 0.075 0.000 0.963 249 R CA 0.432 56.543 56.100 0.019 0.000 1.083 249 R CB 0.703 30.943 30.300 -0.101 0.000 1.200 249 R HN 0.254 nan 8.270 nan 0.000 0.541 250 G N 1.770 110.635 108.800 0.108 0.000 2.246 250 G HA2 -0.265 3.695 3.960 -0.000 0.000 0.273 250 G HA3 -0.265 3.695 3.960 -0.000 0.000 0.273 250 G C -0.064 174.728 174.900 -0.181 0.000 1.055 250 G CA -0.025 45.017 45.100 -0.096 0.000 0.851 250 G HN 0.274 nan 8.290 nan 0.000 0.500 251 I N 0.232 120.724 120.570 -0.130 0.000 2.406 251 I HA 0.433 4.603 4.170 -0.000 0.000 0.290 251 I C 0.746 176.834 176.117 -0.048 0.000 0.999 251 I CA -1.039 60.219 61.300 -0.071 0.000 1.124 251 I CB 1.412 39.401 38.000 -0.018 0.000 1.289 251 I HN 0.047 nan 8.210 nan 0.000 0.441 252 R N 4.792 125.272 120.500 -0.033 0.000 2.459 252 R HA 0.524 4.864 4.340 -0.000 0.000 0.281 252 R C -0.879 175.495 176.300 0.124 0.000 1.050 252 R CA -0.803 55.312 56.100 0.026 0.000 1.055 252 R CB 1.472 31.780 30.300 0.012 0.000 1.045 252 R HN 0.310 nan 8.270 nan 0.000 0.495 253 V N 4.616 124.645 119.914 0.192 0.000 2.318 253 V HA 0.186 4.306 4.120 -0.000 0.000 0.271 253 V C -0.014 176.175 176.094 0.159 0.000 1.030 253 V CA -0.451 62.021 62.300 0.288 0.000 0.844 253 V CB 0.968 33.073 31.823 0.470 0.000 1.015 253 V HN 0.548 nan 8.190 nan 0.000 0.460 254 L N 5.492 126.714 121.223 -0.002 0.000 2.272 254 L HA 0.734 5.074 4.340 -0.000 0.000 0.284 254 L C 0.637 177.308 176.870 -0.332 0.000 1.045 254 L CA -0.248 54.507 54.840 -0.141 0.000 0.842 254 L CB 0.850 42.820 42.059 -0.150 0.000 1.224 254 L HN 0.705 nan 8.230 nan 0.000 0.430 255 A N 4.559 127.076 122.820 -0.505 0.000 2.322 255 A HA 0.416 4.736 4.320 -0.000 0.000 0.269 255 A C -0.292 177.045 177.584 -0.412 0.000 1.094 255 A CA -0.334 51.264 52.037 -0.732 0.000 0.807 255 A CB 0.693 18.714 19.000 -1.632 0.000 1.047 255 A HN 0.759 nan 8.150 nan 0.000 0.487 256 E N 1.287 121.222 120.200 -0.442 0.000 2.283 256 E HA 0.491 4.841 4.350 -0.000 0.000 0.258 256 E C -2.038 174.374 176.600 -0.313 0.000 0.893 256 E CA -0.278 56.028 56.400 -0.156 0.000 0.798 256 E CB 0.767 30.458 29.700 -0.015 0.000 1.242 256 E HN 0.482 nan 8.360 nan 0.000 0.414 257 F N 3.240 123.290 119.950 0.167 0.000 2.310 257 F HA 0.241 4.768 4.527 -0.000 0.000 0.365 257 F C 0.094 176.181 175.800 0.479 0.000 1.080 257 F CA -0.836 57.382 58.000 0.363 0.000 1.187 257 F CB 0.787 40.093 39.000 0.510 0.000 1.465 257 F HN 0.373 nan 8.300 nan 0.000 0.496 258 D N 2.163 122.821 120.400 0.431 0.000 2.583 258 D HA 0.133 4.773 4.640 -0.000 0.000 0.232 258 D C 0.235 176.626 176.300 0.152 0.000 1.128 258 D CA 1.042 55.251 54.000 0.349 0.000 0.859 258 D CB 0.687 41.670 40.800 0.304 0.000 1.169 258 D HN 0.519 nan 8.370 nan 0.000 0.481 259 T N -0.154 114.512 114.554 0.188 0.000 3.012 259 T HA 0.433 4.783 4.350 -0.000 0.000 0.330 259 T C -2.517 172.317 174.700 0.223 0.000 1.321 259 T CA -1.193 60.961 62.100 0.089 0.000 1.067 259 T CB 2.456 71.443 68.868 0.198 0.000 1.235 259 T HN 0.020 nan 8.240 nan 0.000 0.479 260 P HA 0.226 nan 4.420 nan 0.000 0.251 260 P C 0.893 178.106 177.300 -0.145 0.000 1.223 260 P CA 0.252 63.296 63.100 -0.094 0.000 0.796 260 P CB -0.050 31.519 31.700 -0.219 0.000 1.068 261 G N -0.362 108.386 108.800 -0.087 0.000 2.562 261 G HA2 0.172 4.132 3.960 -0.000 0.000 0.275 261 G HA3 0.172 4.132 3.960 -0.000 0.000 0.275 261 G C -0.183 174.688 174.900 -0.048 0.000 1.196 261 G CA -0.188 44.806 45.100 -0.176 0.000 0.908 261 G HN 0.284 nan 8.290 nan 0.000 0.524 262 H N -1.256 117.746 119.070 -0.112 0.000 2.839 262 H HA -0.181 4.375 4.556 -0.000 0.000 0.298 262 H C 0.902 176.232 175.328 0.003 0.000 1.224 262 H CA 1.266 57.292 56.048 -0.036 0.000 1.144 262 H CB -2.108 27.666 29.762 0.020 0.000 1.372 262 H HN 0.717 nan 8.280 nan 0.000 0.408 263 T N -2.478 112.063 114.554 -0.022 0.000 3.355 263 T HA 0.439 4.789 4.350 -0.000 0.000 0.276 263 T C 1.581 176.352 174.700 0.117 0.000 1.003 263 T CA -0.423 61.635 62.100 -0.070 0.000 0.943 263 T CB 0.068 68.617 68.868 -0.531 0.000 1.158 263 T HN 0.203 nan 8.240 nan 0.000 0.513 264 L N 1.286 122.586 121.223 0.128 0.000 2.093 264 L HA -0.045 4.295 4.340 -0.000 0.000 0.208 264 L C 2.987 179.920 176.870 0.106 0.000 1.085 264 L CA 1.564 56.451 54.840 0.079 0.000 0.755 264 L CB -0.478 41.610 42.059 0.048 0.000 0.904 264 L HN 0.538 nan 8.230 nan 0.000 0.435 265 S N -1.263 114.564 115.700 0.211 0.000 2.423 265 S HA -0.172 4.298 4.470 -0.000 0.000 0.231 265 S C 1.549 176.218 174.600 0.116 0.000 1.014 265 S CA 0.452 58.745 58.200 0.154 0.000 0.965 265 S CB -0.682 62.639 63.200 0.202 0.000 0.785 265 S HN 0.433 nan 8.310 nan 0.000 0.495 266 W N 2.757 124.043 121.300 -0.023 0.000 2.363 266 W HA 0.236 4.896 4.660 -0.000 0.000 0.296 266 W C 2.640 178.965 176.519 -0.324 0.000 1.212 266 W CA 0.207 57.434 57.345 -0.196 0.000 1.260 266 W CB -1.308 28.085 29.460 -0.112 0.000 1.131 266 W HN 0.410 nan 8.180 nan 0.000 0.530 267 G N 1.273 110.046 108.800 -0.045 0.000 2.812 267 G HA2 -0.268 3.692 3.960 -0.000 0.000 0.218 267 G HA3 -0.268 3.692 3.960 -0.000 0.000 0.218 267 G C -1.642 173.081 174.900 -0.295 0.000 1.287 267 G CA 0.667 45.618 45.100 -0.247 0.000 0.796 267 G HN 0.081 nan 8.290 nan 0.000 0.649 268 P HA 0.290 nan 4.420 nan 0.000 0.270 268 P C 0.952 178.117 177.300 -0.225 0.000 1.223 268 P CA 1.142 64.111 63.100 -0.218 0.000 0.785 268 P CB 0.681 32.285 31.700 -0.160 0.000 0.923 269 G N 1.596 110.285 108.800 -0.185 0.000 2.812 269 G HA2 -0.228 3.732 3.960 -0.000 0.000 0.219 269 G HA3 -0.228 3.732 3.960 -0.000 0.000 0.219 269 G C -0.008 174.789 174.900 -0.172 0.000 1.275 269 G CA -0.008 44.990 45.100 -0.170 0.000 0.769 269 G HN 0.629 nan 8.290 nan 0.000 0.527 270 I N 4.237 124.646 120.570 -0.269 0.000 2.388 270 I HA 0.420 4.590 4.170 -0.000 0.000 0.281 270 I C -2.110 173.815 176.117 -0.320 0.000 1.046 270 I CA -2.545 58.561 61.300 -0.322 0.000 1.187 270 I CB 1.078 38.717 38.000 -0.602 0.000 1.351 270 I HN 0.113 nan 8.210 nan 0.000 0.472 271 P HA 0.265 nan 4.420 nan 0.000 0.274 271 P C 0.656 177.850 177.300 -0.177 0.000 1.231 271 P CA 0.524 63.511 63.100 -0.189 0.000 0.790 271 P CB 1.036 32.668 31.700 -0.114 0.000 0.951 272 G N 0.782 109.490 108.800 -0.153 0.000 2.234 272 G HA2 -0.333 3.627 3.960 -0.000 0.000 0.260 272 G HA3 -0.333 3.627 3.960 -0.000 0.000 0.260 272 G C 0.658 175.476 174.900 -0.138 0.000 0.987 272 G CA 0.391 45.431 45.100 -0.100 0.000 0.625 272 G HN 0.553 nan 8.290 nan 0.000 0.532 273 L N 0.514 121.594 121.223 -0.239 0.000 2.027 273 L HA 0.391 4.731 4.340 -0.000 0.000 0.206 273 L C 1.661 178.419 176.870 -0.187 0.000 1.074 273 L CA 1.499 56.166 54.840 -0.288 0.000 0.745 273 L CB -0.222 41.546 42.059 -0.484 0.000 0.898 273 L HN 0.399 nan 8.230 nan 0.000 0.433 274 L N -0.160 120.957 121.223 -0.176 0.000 2.418 274 L HA 0.186 4.526 4.340 -0.000 0.000 0.265 274 L C 0.172 177.100 176.870 0.096 0.000 1.143 274 L CA -0.428 54.371 54.840 -0.068 0.000 0.809 274 L CB 0.757 42.733 42.059 -0.138 0.000 1.124 274 L HN -0.021 nan 8.230 nan 0.000 0.456 275 T N 3.448 118.111 114.554 0.181 0.000 2.729 275 T HA 0.234 4.584 4.350 -0.000 0.000 0.296 275 T C -2.344 172.529 174.700 0.288 0.000 0.928 275 T CA -1.036 61.214 62.100 0.249 0.000 1.045 275 T CB 0.719 69.777 68.868 0.317 0.000 0.902 275 T HN 0.339 nan 8.240 nan 0.000 0.500 276 P HA 0.241 nan 4.420 nan 0.000 0.276 276 P C -0.236 177.088 177.300 0.040 0.000 1.243 276 P CA -0.463 62.662 63.100 0.042 0.000 0.768 276 P CB 0.193 31.917 31.700 0.039 0.000 0.856 277 c N 4.102 122.635 118.600 -0.112 0.000 2.580 277 c HA 0.380 4.950 4.570 -0.000 0.000 0.371 277 c C 0.284 174.354 174.090 -0.033 0.000 1.308 277 c CA 0.118 56.451 56.329 0.006 0.000 2.428 277 c CB -0.813 41.649 42.510 -0.080 0.000 2.529 277 c HN 0.494 nan 8.230 nan 0.000 0.657 278 Y N -0.217 120.046 120.300 -0.061 0.000 2.462 278 Y HA 0.294 4.844 4.550 -0.000 0.000 0.346 278 Y C 1.171 177.044 175.900 -0.045 0.000 0.976 278 Y CA -0.314 57.758 58.100 -0.046 0.000 1.044 278 Y CB 1.790 40.242 38.460 -0.014 0.000 1.230 278 Y HN 0.697 nan 8.280 nan 0.000 0.455 279 S N 1.006 116.746 115.700 0.067 0.000 2.345 279 S HA 0.007 4.477 4.470 -0.000 0.000 0.219 279 S C 1.495 176.133 174.600 0.063 0.000 1.031 279 S CA 1.552 59.771 58.200 0.032 0.000 0.984 279 S CB -0.057 63.140 63.200 -0.005 0.000 0.874 279 S HN 1.039 nan 8.310 nan 0.000 0.451 280 G N -1.036 107.823 108.800 0.098 0.000 2.803 280 G HA2 0.261 4.221 3.960 -0.000 0.000 0.212 280 G HA3 0.261 4.221 3.960 -0.000 0.000 0.212 280 G C 0.468 175.434 174.900 0.110 0.000 1.407 280 G CA 0.225 45.374 45.100 0.082 0.000 0.624 280 G HN 0.365 nan 8.290 nan 0.000 1.024 281 S N 0.607 116.397 115.700 0.149 0.000 3.078 281 S HA 0.382 4.852 4.470 -0.000 0.000 0.248 281 S C -0.840 173.920 174.600 0.266 0.000 0.857 281 S CA -0.052 58.250 58.200 0.170 0.000 1.139 281 S CB 1.047 64.295 63.200 0.079 0.000 1.186 281 S HN 0.468 nan 8.310 nan 0.000 0.567 282 E N 2.307 122.690 120.200 0.305 0.000 4.101 282 E HA 0.103 4.453 4.350 -0.000 0.000 0.390 282 E C -3.396 173.146 176.600 -0.096 0.000 1.063 282 E CA -0.448 56.018 56.400 0.109 0.000 0.740 282 E CB 0.957 30.705 29.700 0.080 0.000 1.257 282 E HN 0.143 nan 8.360 nan 0.000 0.535 283 P HA 0.142 nan 4.420 nan 0.000 0.402 283 P C 0.539 177.481 177.300 -0.596 0.000 1.304 283 P CA 0.488 63.025 63.100 -0.938 0.000 1.440 283 P CB 0.429 31.663 31.700 -0.778 0.000 2.331 284 S N 0.967 116.450 115.700 -0.361 0.000 3.510 284 S HA -0.271 4.199 4.470 -0.000 0.000 0.538 284 S C 1.460 175.881 174.600 -0.297 0.000 0.917 284 S CA 2.329 60.372 58.200 -0.262 0.000 3.392 284 S CB -1.740 61.333 63.200 -0.212 0.000 2.355 284 S HN 0.774 nan 8.310 nan 0.000 0.519 285 G N -0.541 108.034 108.800 -0.375 0.000 4.044 285 G HA2 0.228 4.188 3.960 -0.000 0.000 0.189 285 G HA3 0.228 4.188 3.960 -0.000 0.000 0.189 285 G C 0.237 174.749 174.900 -0.647 0.000 0.838 285 G CA 0.610 45.444 45.100 -0.444 0.000 0.876 285 G HN 1.651 nan 8.290 nan 0.000 0.419 286 T N 0.104 114.386 114.554 -0.453 0.000 2.919 286 T HA 0.641 4.991 4.350 -0.000 0.000 0.302 286 T C -0.332 174.071 174.700 -0.495 0.000 1.031 286 T CA -0.179 61.707 62.100 -0.358 0.000 1.127 286 T CB 1.222 69.983 68.868 -0.178 0.000 0.952 286 T HN 0.066 nan 8.240 nan 0.000 0.540 287 F N 0.936 120.844 119.950 -0.071 0.000 2.450 287 F HA 0.645 5.172 4.527 -0.000 0.000 0.332 287 F C 1.160 176.899 175.800 -0.101 0.000 1.093 287 F CA -0.616 57.342 58.000 -0.071 0.000 1.003 287 F CB 1.524 40.486 39.000 -0.063 0.000 1.151 287 F HN 0.951 nan 8.300 nan 0.000 0.474 288 G N 1.622 110.455 108.800 0.055 0.000 2.829 288 G HA2 0.505 4.465 3.960 -0.000 0.000 0.173 288 G HA3 0.505 4.465 3.960 -0.000 0.000 0.173 288 G C -2.454 172.373 174.900 -0.121 0.000 1.476 288 G CA -0.937 44.100 45.100 -0.106 0.000 1.072 288 G HN 0.381 nan 8.290 nan 0.000 0.577 289 P HA 0.248 nan 4.420 nan 0.000 0.307 289 P C -0.229 177.039 177.300 -0.052 0.000 1.306 289 P CA -0.401 62.568 63.100 -0.218 0.000 0.742 289 P CB 0.395 31.854 31.700 -0.401 0.000 1.349 290 V N 1.271 121.145 119.914 -0.067 0.000 2.555 290 V HA 0.047 4.167 4.120 -0.000 0.000 0.286 290 V C 1.116 177.229 176.094 0.031 0.000 1.044 290 V CA -0.251 61.994 62.300 -0.092 0.000 1.026 290 V CB -0.573 31.108 31.823 -0.237 0.000 0.981 290 V HN 0.508 nan 8.190 nan 0.000 0.480 291 N N 7.684 126.383 118.700 -0.002 0.000 2.427 291 N HA 0.092 4.832 4.740 -0.000 0.000 0.269 291 N C -1.704 173.698 175.510 -0.181 0.000 1.235 291 N CA -1.455 51.584 53.050 -0.018 0.000 0.934 291 N CB 1.333 39.813 38.487 -0.013 0.000 1.121 291 N HN 0.382 nan 8.380 nan 0.000 0.480 292 P HA 0.115 nan 4.420 nan 0.000 0.261 292 P C 0.312 177.591 177.300 -0.034 0.000 1.352 292 P CA 0.173 63.153 63.100 -0.199 0.000 0.891 292 P CB 0.118 31.593 31.700 -0.376 0.000 1.383 293 S N -1.749 113.813 115.700 -0.229 0.000 2.520 293 S HA 0.191 4.660 4.470 -0.000 0.000 0.219 293 S C 0.716 175.137 174.600 -0.298 0.000 1.028 293 S CA -0.270 57.593 58.200 -0.562 0.000 0.921 293 S CB -0.514 62.268 63.200 -0.697 0.000 0.844 293 S HN -0.017 nan 8.310 nan 0.000 0.495 294 L N 2.187 123.355 121.223 -0.092 0.000 2.439 294 L HA 0.404 4.744 4.340 -0.000 0.000 0.261 294 L C 1.285 178.241 176.870 0.144 0.000 1.153 294 L CA -0.377 54.462 54.840 -0.002 0.000 0.808 294 L CB 0.414 42.463 42.059 -0.017 0.000 1.126 294 L HN 0.204 nan 8.230 nan 0.000 0.460 295 N N 0.596 119.385 118.700 0.149 0.000 2.250 295 N HA -0.130 4.610 4.740 -0.000 0.000 0.181 295 N C 1.406 177.051 175.510 0.225 0.000 1.017 295 N CA 0.499 53.688 53.050 0.233 0.000 0.866 295 N CB 0.083 38.664 38.487 0.157 0.000 0.985 295 N HN 0.645 nan 8.380 nan 0.000 0.429 296 N N 0.624 119.406 118.700 0.136 0.000 2.364 296 N HA -0.106 4.634 4.740 -0.000 0.000 0.183 296 N C 0.975 176.552 175.510 0.112 0.000 1.022 296 N CA 0.857 53.982 53.050 0.125 0.000 0.883 296 N CB 0.194 38.722 38.487 0.069 0.000 0.965 296 N HN 0.119 nan 8.380 nan 0.000 0.438 297 T N -0.364 114.208 114.554 0.029 0.000 2.788 297 T HA -0.127 4.223 4.350 -0.000 0.000 0.268 297 T C 1.018 175.684 174.700 -0.057 0.000 1.044 297 T CA 1.248 63.288 62.100 -0.101 0.000 1.139 297 T CB -0.259 68.419 68.868 -0.317 0.000 0.867 297 T HN 0.380 nan 8.240 nan 0.000 0.454 298 Y N 0.778 121.197 120.300 0.199 0.000 2.490 298 Y HA 0.177 4.727 4.550 -0.000 0.000 0.285 298 Y C 2.432 178.452 175.900 0.201 0.000 1.117 298 Y CA 0.169 58.377 58.100 0.178 0.000 1.262 298 Y CB -0.116 38.406 38.460 0.102 0.000 1.043 298 Y HN 0.117 nan 8.280 nan 0.000 0.553 299 E N 0.095 120.496 120.200 0.336 0.000 2.047 299 E HA -0.180 4.170 4.350 -0.000 0.000 0.191 299 E C 1.871 178.693 176.600 0.371 0.000 0.987 299 E CA 1.284 57.869 56.400 0.307 0.000 0.799 299 E CB -0.611 29.252 29.700 0.271 0.000 0.752 299 E HN 0.437 nan 8.360 nan 0.000 0.449 300 F N 0.153 120.225 119.950 0.203 0.000 2.126 300 F HA -0.203 4.324 4.527 -0.000 0.000 0.299 300 F C 2.101 178.062 175.800 0.268 0.000 1.096 300 F CA 1.356 59.434 58.000 0.129 0.000 1.255 300 F CB -0.107 38.770 39.000 -0.206 0.000 0.997 300 F HN 0.044 nan 8.300 nan 0.000 0.479 301 M N -0.456 119.341 119.600 0.328 0.000 2.557 301 M HA -0.066 4.414 4.480 -0.000 0.000 0.259 301 M C 2.215 178.747 176.300 0.385 0.000 1.086 301 M CA 1.173 56.696 55.300 0.372 0.000 1.096 301 M CB -0.490 32.323 32.600 0.355 0.000 1.424 301 M HN 0.242 nan 8.290 nan 0.000 0.488 302 S N -1.746 114.142 115.700 0.313 0.000 2.427 302 S HA -0.017 4.453 4.470 -0.000 0.000 0.224 302 S C 1.731 176.491 174.600 0.267 0.000 1.047 302 S CA 1.280 59.663 58.200 0.305 0.000 0.953 302 S CB -0.125 63.230 63.200 0.258 0.000 0.824 302 S HN 0.501 nan 8.310 nan 0.000 0.502 303 T N 1.333 116.035 114.554 0.248 0.000 2.904 303 T HA 0.060 4.410 4.350 -0.000 0.000 0.267 303 T C 1.300 176.061 174.700 0.102 0.000 1.059 303 T CA 1.088 63.291 62.100 0.171 0.000 1.137 303 T CB -0.353 68.634 68.868 0.199 0.000 0.879 303 T HN 0.491 nan 8.240 nan 0.000 0.467 304 F N 0.859 120.788 119.950 -0.034 0.000 2.149 304 F HA 0.162 4.689 4.527 -0.000 0.000 0.294 304 F C 1.542 177.149 175.800 -0.322 0.000 1.095 304 F CA 0.707 58.552 58.000 -0.258 0.000 1.276 304 F CB -0.356 38.254 39.000 -0.650 0.000 1.023 304 F HN 0.055 nan 8.300 nan 0.000 0.480 305 F N 0.125 119.976 119.950 -0.166 0.000 2.502 305 F HA -0.068 4.459 4.527 -0.000 0.000 0.298 305 F C 2.163 177.771 175.800 -0.320 0.000 1.111 305 F CA 0.772 58.631 58.000 -0.235 0.000 1.445 305 F CB -0.471 38.553 39.000 0.040 0.000 1.081 305 F HN 0.044 nan 8.300 nan 0.000 0.558 306 L N -0.213 120.888 121.223 -0.204 0.000 2.072 306 L HA -0.170 4.170 4.340 -0.000 0.000 0.205 306 L C 2.520 179.162 176.870 -0.379 0.000 1.079 306 L CA 1.392 55.932 54.840 -0.499 0.000 0.752 306 L CB -0.332 41.541 42.059 -0.309 0.000 0.906 306 L HN 0.149 nan 8.230 nan 0.000 0.436 307 E N -0.494 119.480 120.200 -0.377 0.000 2.051 307 E HA -0.215 4.135 4.350 -0.000 0.000 0.192 307 E C 2.097 178.463 176.600 -0.390 0.000 0.991 307 E CA 1.822 57.974 56.400 -0.413 0.000 0.799 307 E CB 0.033 29.325 29.700 -0.680 0.000 0.748 307 E HN 0.364 nan 8.360 nan 0.000 0.449 308 V N 1.490 121.067 119.914 -0.561 0.000 2.332 308 V HA -0.284 3.836 4.120 -0.000 0.000 0.248 308 V C 2.558 178.632 176.094 -0.034 0.000 1.055 308 V CA 2.097 64.172 62.300 -0.374 0.000 1.038 308 V CB -0.659 30.752 31.823 -0.686 0.000 0.651 308 V HN 0.441 nan 8.190 nan 0.000 0.450 309 S N -1.122 114.516 115.700 -0.104 0.000 2.481 309 S HA -0.073 4.397 4.470 -0.000 0.000 0.231 309 S C 1.823 176.393 174.600 -0.049 0.000 0.996 309 S CA 1.193 59.368 58.200 -0.041 0.000 0.942 309 S CB -0.083 63.037 63.200 -0.133 0.000 0.768 309 S HN 0.493 nan 8.310 nan 0.000 0.520 310 S N 0.550 116.195 115.700 -0.092 0.000 2.503 310 S HA 0.227 4.697 4.470 -0.000 0.000 0.217 310 S C 1.604 176.190 174.600 -0.023 0.000 0.999 310 S CA 0.374 58.548 58.200 -0.044 0.000 0.914 310 S CB 0.134 63.317 63.200 -0.029 0.000 0.782 310 S HN 0.427 nan 8.310 nan 0.000 0.520 311 V N 0.253 120.122 119.914 -0.075 0.000 2.492 311 V HA 0.203 4.323 4.120 -0.000 0.000 0.241 311 V C 0.141 176.059 176.094 -0.292 0.000 1.041 311 V CA 0.798 62.979 62.300 -0.198 0.000 1.057 311 V CB -0.328 31.294 31.823 -0.335 0.000 0.711 311 V HN 0.369 nan 8.190 nan 0.000 0.468 312 F N 2.381 122.332 119.950 0.002 0.000 2.390 312 F HA 0.346 4.873 4.527 -0.000 0.000 0.361 312 F C -1.094 174.732 175.800 0.043 0.000 1.124 312 F CA -1.989 56.031 58.000 0.033 0.000 1.149 312 F CB 0.740 39.754 39.000 0.024 0.000 1.160 312 F HN 0.073 nan 8.300 nan 0.000 0.501 313 P HA -0.101 nan 4.420 nan 0.000 0.229 313 P C 0.126 177.528 177.300 0.170 0.000 1.160 313 P CA 0.516 63.705 63.100 0.149 0.000 0.777 313 P CB 0.140 31.914 31.700 0.123 0.000 0.814 314 D N -0.507 120.014 120.400 0.201 0.000 2.472 314 D HA -0.085 4.555 4.640 -0.000 0.000 0.237 314 D C 0.828 177.240 176.300 0.188 0.000 1.141 314 D CA -0.139 53.982 54.000 0.201 0.000 0.875 314 D CB 0.123 41.043 40.800 0.201 0.000 1.192 314 D HN -0.085 nan 8.370 nan 0.000 0.450 315 F N 2.522 122.501 119.950 0.049 0.000 2.269 315 F HA -0.020 4.507 4.527 -0.000 0.000 0.301 315 F C -0.016 175.640 175.800 -0.240 0.000 1.082 315 F CA 0.904 58.842 58.000 -0.104 0.000 1.360 315 F CB 0.096 38.989 39.000 -0.180 0.000 1.041 315 F HN 0.343 nan 8.300 nan 0.000 0.512 316 Y N 0.517 120.803 120.300 -0.022 0.000 2.457 316 Y HA 0.611 5.161 4.550 -0.000 0.000 0.333 316 Y C -0.414 175.442 175.900 -0.074 0.000 1.119 316 Y CA -0.960 57.068 58.100 -0.120 0.000 1.143 316 Y CB 1.334 39.790 38.460 -0.006 0.000 1.230 316 Y HN -0.328 nan 8.280 nan 0.000 0.469 317 L N 2.238 123.519 121.223 0.097 0.000 2.455 317 L HA 0.326 4.666 4.340 -0.000 0.000 0.264 317 L C -1.049 175.871 176.870 0.084 0.000 0.968 317 L CA -0.874 54.011 54.840 0.075 0.000 0.827 317 L CB 2.123 44.244 42.059 0.103 0.000 1.317 317 L HN 0.586 nan 8.230 nan 0.000 0.407 318 H N 3.725 122.772 119.070 -0.038 0.000 2.604 318 H HA 0.339 4.895 4.556 -0.000 0.000 0.306 318 H C 0.121 175.500 175.328 0.085 0.000 1.075 318 H CA -0.052 55.961 56.048 -0.059 0.000 1.357 318 H CB 1.719 31.340 29.762 -0.234 0.000 1.426 318 H HN 0.584 nan 8.280 nan 0.000 0.470 319 L N 3.672 124.940 121.223 0.075 0.000 2.513 319 L HA 0.171 4.511 4.340 -0.000 0.000 0.222 319 L C 1.668 178.745 176.870 0.344 0.000 1.096 319 L CA 0.643 55.609 54.840 0.211 0.000 0.857 319 L CB 0.198 42.270 42.059 0.022 0.000 1.026 319 L HN 0.933 nan 8.230 nan 0.000 0.469 320 G N 0.369 109.410 108.800 0.402 0.000 2.947 320 G HA2 -0.169 3.791 3.960 -0.000 0.000 0.251 320 G HA3 -0.169 3.791 3.960 -0.000 0.000 0.251 320 G C 0.772 176.054 174.900 0.636 0.000 1.481 320 G CA -0.197 45.318 45.100 0.692 0.000 1.006 320 G HN 0.701 nan 8.290 nan 0.000 0.561 321 G N 0.268 109.362 108.800 0.490 0.000 2.143 321 G HA2 0.031 3.991 3.960 -0.000 0.000 0.248 321 G HA3 0.031 3.991 3.960 -0.000 0.000 0.248 321 G C 0.153 175.284 174.900 0.385 0.000 0.991 321 G CA 1.382 46.709 45.100 0.379 0.000 0.689 321 G HN 2.115 nan 8.290 nan 0.000 0.522 322 D N 0.703 121.343 120.400 0.400 0.000 2.304 322 D HA 0.380 5.020 4.640 -0.000 0.000 0.247 322 D C 0.888 177.273 176.300 0.142 0.000 1.089 322 D CA 0.035 54.157 54.000 0.203 0.000 0.910 322 D CB 0.408 40.971 40.800 -0.395 0.000 1.199 322 D HN 0.941 nan 8.370 nan 0.000 0.426 323 E N -0.848 119.432 120.200 0.133 0.000 1.961 323 E HA -0.173 4.177 4.350 -0.000 0.000 0.192 323 E C -1.039 175.450 176.600 -0.187 0.000 1.520 323 E CA 0.008 56.409 56.400 0.001 0.000 0.629 323 E CB -1.571 28.136 29.700 0.013 0.000 1.008 323 E HN 0.242 nan 8.360 nan 0.000 0.294 324 V N 2.271 122.020 119.914 -0.274 0.000 2.439 324 V HA 0.179 4.299 4.120 -0.000 0.000 0.282 324 V C 0.355 175.970 176.094 -0.797 0.000 1.039 324 V CA -0.423 61.581 62.300 -0.494 0.000 0.913 324 V CB 1.640 33.206 31.823 -0.428 0.000 0.983 324 V HN 0.520 nan 8.190 nan 0.000 0.460 325 D N 2.661 122.601 120.400 -0.767 0.000 2.295 325 D HA 0.316 4.956 4.640 -0.000 0.000 0.248 325 D C 0.216 175.970 176.300 -0.911 0.000 1.154 325 D CA -0.146 53.425 54.000 -0.716 0.000 0.857 325 D CB 0.940 41.439 40.800 -0.502 0.000 1.117 325 D HN 0.344 nan 8.370 nan 0.000 0.468 326 F N 1.393 121.079 119.950 -0.439 0.000 2.776 326 F HA 0.067 4.594 4.527 -0.000 0.000 0.300 326 F C 2.367 177.875 175.800 -0.486 0.000 1.116 326 F CA 0.072 57.796 58.000 -0.459 0.000 1.375 326 F CB -0.291 38.557 39.000 -0.253 0.000 1.109 326 F HN 0.336 nan 8.300 nan 0.000 0.585 327 T N -1.263 113.148 114.554 -0.239 0.000 2.746 327 T HA -0.241 4.109 4.350 -0.000 0.000 0.267 327 T C 2.258 176.853 174.700 -0.176 0.000 1.039 327 T CA 1.629 63.616 62.100 -0.188 0.000 1.142 327 T CB -0.803 67.975 68.868 -0.150 0.000 0.866 327 T HN 0.490 nan 8.240 nan 0.000 0.444 328 c N 0.242 118.703 118.600 -0.232 0.000 2.457 328 c HA -0.006 4.564 4.570 -0.000 0.000 0.278 328 c C 2.415 176.525 174.090 0.033 0.000 1.309 328 c CA -0.020 56.234 56.329 -0.125 0.000 1.735 328 c CB -1.540 40.863 42.510 -0.178 0.000 1.992 328 c HN 0.642 nan 8.230 nan 0.000 0.493 329 W N 1.128 122.375 121.300 -0.089 0.000 2.381 329 W HA -0.010 4.650 4.660 -0.000 0.000 0.301 329 W C 2.561 179.050 176.519 -0.049 0.000 1.205 329 W CA 1.183 58.513 57.345 -0.025 0.000 1.285 329 W CB -1.298 28.192 29.460 0.051 0.000 1.133 329 W HN 0.414 nan 8.180 nan 0.000 0.521 330 K N 0.931 121.263 120.400 -0.113 0.000 2.097 330 K HA -0.171 4.149 4.320 -0.000 0.000 0.206 330 K C 2.210 178.850 176.600 0.066 0.000 1.049 330 K CA 2.108 58.351 56.287 -0.072 0.000 0.933 330 K CB -0.219 32.112 32.500 -0.280 0.000 0.717 330 K HN 0.063 nan 8.250 nan 0.000 0.442 331 S N 0.537 116.259 115.700 0.036 0.000 2.406 331 S HA -0.096 4.374 4.470 -0.000 0.000 0.228 331 S C 0.934 175.528 174.600 -0.009 0.000 1.020 331 S CA 0.230 58.461 58.200 0.050 0.000 0.965 331 S CB -0.400 62.851 63.200 0.084 0.000 0.798 331 S HN 0.247 nan 8.310 nan 0.000 0.488 332 N N 3.560 122.275 118.700 0.025 0.000 2.431 332 N HA 0.170 4.910 4.740 -0.000 0.000 0.265 332 N C -1.592 173.805 175.510 -0.189 0.000 1.184 332 N CA -1.705 51.258 53.050 -0.146 0.000 0.943 332 N CB 1.444 40.002 38.487 0.118 0.000 1.080 332 N HN 0.140 nan 8.380 nan 0.000 0.477 333 P HA -0.106 nan 4.420 nan 0.000 0.217 333 P C 0.929 178.172 177.300 -0.095 0.000 1.154 333 P CA 0.759 63.727 63.100 -0.221 0.000 0.841 333 P CB 0.392 31.914 31.700 -0.297 0.000 0.788 334 E N 0.226 120.368 120.200 -0.097 0.000 2.267 334 E HA -0.134 4.216 4.350 -0.000 0.000 0.197 334 E C 1.949 178.577 176.600 0.047 0.000 0.998 334 E CA 0.844 57.244 56.400 -0.000 0.000 0.830 334 E CB -0.309 29.408 29.700 0.028 0.000 0.751 334 E HN 0.298 nan 8.360 nan 0.000 0.491 335 I N 0.179 120.786 120.570 0.062 0.000 2.494 335 I HA -0.173 3.997 4.170 -0.000 0.000 0.250 335 I C 2.509 178.723 176.117 0.162 0.000 1.112 335 I CA 0.313 61.687 61.300 0.123 0.000 1.438 335 I CB -0.271 37.821 38.000 0.154 0.000 1.111 335 I HN -0.022 nan 8.210 nan 0.000 0.431 336 Q N 0.688 120.564 119.800 0.127 0.000 2.248 336 Q HA -0.276 4.064 4.340 -0.000 0.000 0.208 336 Q C 1.570 177.603 176.000 0.055 0.000 0.984 336 Q CA 1.755 57.619 55.803 0.101 0.000 0.875 336 Q CB -0.401 28.383 28.738 0.077 0.000 0.910 336 Q HN 0.499 nan 8.270 nan 0.000 0.433 337 D N -0.425 120.013 120.400 0.063 0.000 2.097 337 D HA -0.170 4.470 4.640 -0.000 0.000 0.195 337 D C 1.533 177.870 176.300 0.062 0.000 0.989 337 D CA 0.821 54.850 54.000 0.048 0.000 0.827 337 D CB -0.312 40.523 40.800 0.059 0.000 0.966 337 D HN 0.204 nan 8.370 nan 0.000 0.456 338 F N 0.202 120.132 119.950 -0.035 0.000 2.365 338 F HA -0.033 4.494 4.527 -0.000 0.000 0.300 338 F C 2.079 177.843 175.800 -0.060 0.000 1.090 338 F CA 0.729 58.698 58.000 -0.052 0.000 1.408 338 F CB -0.074 38.909 39.000 -0.027 0.000 1.060 338 F HN -0.070 nan 8.300 nan 0.000 0.534 339 M N 0.094 119.702 119.600 0.014 0.000 2.067 339 M HA -0.183 4.297 4.480 -0.000 0.000 0.260 339 M C 2.188 178.368 176.300 -0.200 0.000 1.069 339 M CA 1.775 57.043 55.300 -0.054 0.000 1.117 339 M CB -1.244 31.296 32.600 -0.100 0.000 1.334 339 M HN 0.111 nan 8.290 nan 0.000 0.407 340 R N -0.345 120.043 120.500 -0.186 0.000 2.236 340 R HA -0.017 4.323 4.340 -0.000 0.000 0.208 340 R C 2.163 178.287 176.300 -0.294 0.000 1.036 340 R CA 0.491 56.465 56.100 -0.211 0.000 1.001 340 R CB 0.005 30.225 30.300 -0.133 0.000 0.896 340 R HN 0.419 nan 8.270 nan 0.000 0.464 341 K N 0.719 120.903 120.400 -0.360 0.000 2.002 341 K HA -0.087 4.233 4.320 -0.000 0.000 0.209 341 K C 1.617 177.879 176.600 -0.564 0.000 1.048 341 K CA 1.066 57.103 56.287 -0.416 0.000 0.930 341 K CB 0.095 32.327 32.500 -0.447 0.000 0.714 341 K HN -0.066 nan 8.250 nan 0.000 0.438 342 K N -0.465 119.412 120.400 -0.872 0.000 2.487 342 K HA 0.031 4.351 4.320 -0.000 0.000 0.192 342 K C 0.887 176.895 176.600 -0.986 0.000 1.027 342 K CA 0.782 56.430 56.287 -1.064 0.000 1.054 342 K CB 0.677 32.175 32.500 -1.670 0.000 0.824 342 K HN 0.481 nan 8.250 nan 0.000 0.510 343 G N 1.355 109.735 108.800 -0.700 0.000 2.137 343 G HA2 -0.258 3.702 3.960 -0.000 0.000 0.237 343 G HA3 -0.258 3.702 3.960 -0.000 0.000 0.237 343 G C 0.580 175.261 174.900 -0.365 0.000 1.002 343 G CA 0.051 44.882 45.100 -0.448 0.000 0.702 343 G HN 0.186 nan 8.290 nan 0.000 0.515 344 F N 0.600 120.398 119.950 -0.254 0.000 2.128 344 F HA 0.307 4.834 4.527 -0.000 0.000 0.295 344 F C 2.631 178.284 175.800 -0.245 0.000 1.100 344 F CA 1.867 59.719 58.000 -0.247 0.000 1.260 344 F CB -0.925 37.897 39.000 -0.297 0.000 1.009 344 F HN 0.932 nan 8.300 nan 0.000 0.476 345 G N 0.156 108.908 108.800 -0.080 0.000 2.687 345 G HA2 -0.349 3.611 3.960 -0.000 0.000 0.303 345 G HA3 -0.349 3.611 3.960 -0.000 0.000 0.303 345 G C 1.339 176.135 174.900 -0.173 0.000 1.209 345 G CA 0.569 45.598 45.100 -0.117 0.000 0.968 345 G HN 0.242 nan 8.290 nan 0.000 0.549 346 E N 1.218 121.345 120.200 -0.122 0.000 2.042 346 E HA 0.042 4.392 4.350 -0.000 0.000 0.189 346 E C 0.915 177.425 176.600 -0.150 0.000 0.974 346 E CA 0.657 57.002 56.400 -0.093 0.000 0.806 346 E CB -0.403 29.283 29.700 -0.023 0.000 0.769 346 E HN 0.478 nan 8.360 nan 0.000 0.451 347 D N -0.125 120.194 120.400 -0.136 0.000 2.412 347 D HA -0.052 4.588 4.640 -0.000 0.000 0.257 347 D C 0.081 176.209 176.300 -0.288 0.000 1.217 347 D CA 0.178 54.094 54.000 -0.141 0.000 0.897 347 D CB 0.099 40.842 40.800 -0.095 0.000 1.132 347 D HN -0.112 nan 8.370 nan 0.000 0.493 348 F N 2.302 122.061 119.950 -0.318 0.000 2.664 348 F HA 0.133 4.660 4.527 -0.000 0.000 0.296 348 F C 2.144 177.621 175.800 -0.540 0.000 1.125 348 F CA 0.133 57.888 58.000 -0.408 0.000 1.444 348 F CB 0.190 38.922 39.000 -0.447 0.000 1.114 348 F HN 0.324 nan 8.300 nan 0.000 0.576 349 K N 0.469 120.627 120.400 -0.403 0.000 2.209 349 K HA -0.205 4.115 4.320 -0.000 0.000 0.204 349 K C 1.793 178.366 176.600 -0.045 0.000 1.048 349 K CA 1.486 57.673 56.287 -0.167 0.000 0.940 349 K CB -0.205 32.246 32.500 -0.082 0.000 0.729 349 K HN 0.474 nan 8.250 nan 0.000 0.451 350 Q N 0.163 119.862 119.800 -0.168 0.000 2.356 350 Q HA 0.029 4.369 4.340 -0.000 0.000 0.205 350 Q C 1.826 177.486 176.000 -0.566 0.000 0.901 350 Q CA 0.165 55.833 55.803 -0.226 0.000 0.938 350 Q CB 0.067 28.718 28.738 -0.145 0.000 1.081 350 Q HN 0.129 nan 8.270 nan 0.000 0.517 351 L N 2.207 123.104 121.223 -0.544 0.000 2.044 351 L HA -0.106 4.234 4.340 -0.000 0.000 0.205 351 L C 2.276 179.069 176.870 -0.127 0.000 1.075 351 L CA 2.333 56.813 54.840 -0.600 0.000 0.747 351 L CB -0.259 41.603 42.059 -0.327 0.000 0.903 351 L HN 0.384 nan 8.230 nan 0.000 0.435 352 E N -1.616 118.655 120.200 0.118 0.000 2.274 352 E HA -0.168 4.182 4.350 -0.000 0.000 0.194 352 E C 2.120 178.880 176.600 0.267 0.000 0.996 352 E CA 1.013 57.591 56.400 0.296 0.000 0.840 352 E CB -0.504 29.532 29.700 0.561 0.000 0.772 352 E HN 0.451 nan 8.360 nan 0.000 0.491 353 S N 0.238 116.030 115.700 0.155 0.000 2.370 353 S HA -0.224 4.246 4.470 -0.000 0.000 0.226 353 S C 1.631 176.321 174.600 0.150 0.000 1.033 353 S CA 1.283 59.556 58.200 0.122 0.000 1.011 353 S CB -0.553 62.685 63.200 0.064 0.000 0.852 353 S HN 0.544 nan 8.310 nan 0.000 0.457 354 F N 1.021 120.991 119.950 0.032 0.000 2.134 354 F HA -0.058 4.469 4.527 -0.000 0.000 0.299 354 F C 1.972 177.870 175.800 0.163 0.000 1.097 354 F CA 1.710 59.780 58.000 0.116 0.000 1.264 354 F CB -0.899 38.224 39.000 0.204 0.000 1.001 354 F HN 0.414 nan 8.300 nan 0.000 0.479 355 Y N 0.785 121.054 120.300 -0.051 0.000 2.163 355 Y HA -0.132 4.418 4.550 -0.000 0.000 0.288 355 Y C 2.172 178.037 175.900 -0.058 0.000 1.136 355 Y CA 2.085 60.148 58.100 -0.062 0.000 1.147 355 Y CB -0.569 37.945 38.460 0.091 0.000 0.987 355 Y HN 0.114 nan 8.280 nan 0.000 0.509 356 I N 0.324 120.908 120.570 0.022 0.000 2.226 356 I HA -0.354 3.816 4.170 -0.000 0.000 0.245 356 I C 2.350 178.347 176.117 -0.200 0.000 1.100 356 I CA 1.666 62.916 61.300 -0.083 0.000 1.374 356 I CB -0.537 37.509 38.000 0.076 0.000 1.057 356 I HN 0.362 nan 8.210 nan 0.000 0.413 357 Q N 0.088 119.794 119.800 -0.158 0.000 2.124 357 Q HA -0.165 4.175 4.340 -0.000 0.000 0.202 357 Q C 2.242 178.086 176.000 -0.260 0.000 0.977 357 Q CA 2.086 57.785 55.803 -0.174 0.000 0.850 357 Q CB -0.212 28.472 28.738 -0.089 0.000 0.901 357 Q HN 0.514 nan 8.270 nan 0.000 0.429 358 T N 1.497 115.831 114.554 -0.367 0.000 2.737 358 T HA -0.142 4.208 4.350 -0.000 0.000 0.265 358 T C 1.746 176.254 174.700 -0.319 0.000 1.038 358 T CA 1.015 62.879 62.100 -0.394 0.000 1.144 358 T CB -0.292 68.227 68.868 -0.582 0.000 0.866 358 T HN 0.133 nan 8.240 nan 0.000 0.434 359 L N 1.052 122.034 121.223 -0.402 0.000 2.042 359 L HA 0.044 4.384 4.340 -0.000 0.000 0.210 359 L C 2.121 178.775 176.870 -0.359 0.000 1.076 359 L CA 1.593 56.190 54.840 -0.405 0.000 0.749 359 L CB -0.795 40.929 42.059 -0.557 0.000 0.893 359 L HN 0.240 nan 8.230 nan 0.000 0.432 360 L N -0.684 120.316 121.223 -0.371 0.000 2.201 360 L HA -0.172 4.168 4.340 -0.000 0.000 0.212 360 L C 2.115 178.774 176.870 -0.353 0.000 1.105 360 L CA 0.885 55.454 54.840 -0.452 0.000 0.775 360 L CB -0.714 41.019 42.059 -0.545 0.000 0.913 360 L HN 0.299 nan 8.230 nan 0.000 0.440 361 D N 0.313 120.555 120.400 -0.264 0.000 2.084 361 D HA -0.133 4.507 4.640 -0.000 0.000 0.196 361 D C 2.289 178.465 176.300 -0.206 0.000 0.985 361 D CA 1.220 55.102 54.000 -0.196 0.000 0.826 361 D CB -0.115 40.582 40.800 -0.172 0.000 0.978 361 D HN 0.249 nan 8.370 nan 0.000 0.456 362 I N 0.610 121.053 120.570 -0.212 0.000 2.151 362 I HA -0.258 3.912 4.170 -0.000 0.000 0.243 362 I C 2.395 178.310 176.117 -0.337 0.000 1.080 362 I CA 0.807 61.963 61.300 -0.239 0.000 1.339 362 I CB -0.314 37.639 38.000 -0.079 0.000 1.039 362 I HN -0.091 nan 8.210 nan 0.000 0.409 363 V N -0.166 119.665 119.914 -0.138 0.000 2.358 363 V HA -0.261 3.859 4.120 -0.000 0.000 0.246 363 V C 2.582 178.698 176.094 0.037 0.000 1.047 363 V CA 2.074 64.403 62.300 0.050 0.000 1.035 363 V CB -0.509 31.337 31.823 0.038 0.000 0.658 363 V HN 0.464 nan 8.190 nan 0.000 0.452 364 S N 0.920 116.634 115.700 0.024 0.000 2.420 364 S HA -0.186 4.284 4.470 -0.000 0.000 0.237 364 S C 1.991 176.582 174.600 -0.016 0.000 1.023 364 S CA 1.897 60.169 58.200 0.120 0.000 0.991 364 S CB -0.347 62.906 63.200 0.087 0.000 0.792 364 S HN 0.812 nan 8.310 nan 0.000 0.488 365 S N -1.020 114.574 115.700 -0.177 0.000 2.575 365 S HA 0.194 4.664 4.470 -0.000 0.000 0.215 365 S C 0.915 175.391 174.600 -0.207 0.000 0.966 365 S CA -0.337 57.732 58.200 -0.218 0.000 0.911 365 S CB -0.592 62.428 63.200 -0.301 0.000 0.780 365 S HN 0.718 nan 8.310 nan 0.000 0.514 366 Y N 1.645 121.956 120.300 0.018 0.000 2.485 366 Y HA 0.395 4.945 4.550 -0.000 0.000 0.260 366 Y C 1.640 177.540 175.900 -0.001 0.000 1.173 366 Y CA -0.321 57.787 58.100 0.014 0.000 1.252 366 Y CB 0.165 38.635 38.460 0.016 0.000 1.123 366 Y HN 0.413 nan 8.280 nan 0.000 0.524 367 G N 1.364 110.224 108.800 0.100 0.000 2.273 367 G HA2 -0.254 3.706 3.960 -0.000 0.000 0.280 367 G HA3 -0.254 3.706 3.960 -0.000 0.000 0.280 367 G C -0.377 174.446 174.900 -0.128 0.000 1.047 367 G CA -0.116 45.025 45.100 0.069 0.000 0.869 367 G HN 0.123 nan 8.290 nan 0.000 0.502 368 K N 0.137 120.365 120.400 -0.288 0.000 2.292 368 K HA 0.635 4.955 4.320 -0.000 0.000 0.257 368 K C 0.790 176.820 176.600 -0.951 0.000 0.940 368 K CA -0.106 55.804 56.287 -0.627 0.000 0.811 368 K CB 1.927 34.312 32.500 -0.191 0.000 1.120 368 K HN 0.355 nan 8.250 nan 0.000 0.428 369 G N 1.533 109.335 108.800 -1.664 0.000 2.599 369 G HA2 0.398 4.358 3.960 -0.000 0.000 0.264 369 G HA3 0.398 4.358 3.960 -0.000 0.000 0.264 369 G C -0.976 173.524 174.900 -0.666 0.000 1.200 369 G CA -0.286 43.940 45.100 -1.457 0.000 0.896 369 G HN 0.535 nan 8.290 nan 0.000 0.536 370 Y N -1.590 118.739 120.300 0.049 0.000 2.396 370 Y HA 0.575 5.125 4.550 -0.000 0.000 0.332 370 Y C -0.599 175.313 175.900 0.019 0.000 1.034 370 Y CA -1.510 56.605 58.100 0.026 0.000 1.057 370 Y CB 1.390 39.817 38.460 -0.056 0.000 1.220 370 Y HN 0.331 nan 8.280 nan 0.000 0.440 371 V N 4.238 124.158 119.914 0.010 0.000 2.513 371 V HA 0.722 4.842 4.120 -0.000 0.000 0.299 371 V C -0.670 175.054 176.094 -0.616 0.000 1.035 371 V CA -0.845 61.306 62.300 -0.249 0.000 0.889 371 V CB 1.680 33.329 31.823 -0.289 0.000 0.988 371 V HN 0.754 nan 8.190 nan 0.000 0.440 372 V N 3.911 123.540 119.914 -0.475 0.000 3.049 372 V HA 0.580 4.700 4.120 -0.000 0.000 0.309 372 V C -1.142 174.864 176.094 -0.147 0.000 1.148 372 V CA -0.843 61.220 62.300 -0.394 0.000 0.990 372 V CB 2.256 34.026 31.823 -0.089 0.000 1.039 372 V HN 0.932 nan 8.190 nan 0.000 0.430 373 W N 2.469 123.899 121.300 0.217 0.000 2.042 373 W HA 0.187 4.847 4.660 -0.000 0.000 0.358 373 W C 1.751 178.446 176.519 0.293 0.000 1.325 373 W CA 0.804 58.368 57.345 0.365 0.000 1.311 373 W CB 0.358 30.075 29.460 0.429 0.000 1.210 373 W HN 0.755 nan 8.180 nan 0.000 0.620 374 Q N -0.402 119.790 119.800 0.653 0.000 2.369 374 Q HA -0.175 4.165 4.340 -0.000 0.000 0.206 374 Q C 1.256 177.442 176.000 0.310 0.000 0.963 374 Q CA 1.608 57.624 55.803 0.355 0.000 0.894 374 Q CB -0.141 28.716 28.738 0.198 0.000 0.965 374 Q HN 0.533 nan 8.270 nan 0.000 0.475 375 E N 0.960 121.379 120.200 0.365 0.000 2.118 375 E HA -0.153 4.197 4.350 -0.000 0.000 0.195 375 E C 1.992 178.728 176.600 0.228 0.000 0.992 375 E CA 1.518 58.079 56.400 0.267 0.000 0.804 375 E CB -0.214 29.660 29.700 0.289 0.000 0.741 375 E HN 0.204 nan 8.360 nan 0.000 0.458 376 V N 0.436 120.499 119.914 0.249 0.000 2.255 376 V HA -0.263 3.857 4.120 -0.000 0.000 0.247 376 V C 1.978 178.150 176.094 0.131 0.000 1.051 376 V CA 2.023 64.432 62.300 0.182 0.000 1.018 376 V CB -0.494 31.425 31.823 0.160 0.000 0.641 376 V HN 0.299 nan 8.190 nan 0.000 0.445 377 F N 1.057 121.003 119.950 -0.007 0.000 2.234 377 F HA -0.164 4.363 4.527 -0.000 0.000 0.299 377 F C 2.145 177.930 175.800 -0.025 0.000 1.087 377 F CA 1.779 59.729 58.000 -0.083 0.000 1.340 377 F CB -0.186 38.727 39.000 -0.147 0.000 1.031 377 F HN 0.222 nan 8.300 nan 0.000 0.500 378 D N 0.165 120.598 120.400 0.056 0.000 2.117 378 D HA -0.145 4.495 4.640 -0.000 0.000 0.198 378 D C 1.409 177.672 176.300 -0.062 0.000 0.982 378 D CA 1.048 55.036 54.000 -0.020 0.000 0.828 378 D CB -0.541 40.303 40.800 0.074 0.000 0.967 378 D HN 0.283 nan 8.370 nan 0.000 0.464 379 N N 1.399 120.106 118.700 0.011 0.000 2.515 379 N HA -0.058 4.682 4.740 -0.000 0.000 0.191 379 N C -0.119 175.371 175.510 -0.034 0.000 1.182 379 N CA 0.139 53.208 53.050 0.032 0.000 0.879 379 N CB -0.287 38.282 38.487 0.136 0.000 0.984 379 N HN 0.358 nan 8.380 nan 0.000 0.453 380 K N -1.300 119.012 120.400 -0.147 0.000 3.213 380 K HA -0.203 4.117 4.320 -0.000 0.000 0.266 380 K C -0.245 176.309 176.600 -0.078 0.000 0.911 380 K CA 0.184 56.349 56.287 -0.203 0.000 0.684 380 K CB -2.260 30.102 32.500 -0.229 0.000 1.402 380 K HN 0.070 nan 8.250 nan 0.000 0.465 381 V N 2.121 122.020 119.914 -0.026 0.000 2.415 381 V HA 0.107 4.227 4.120 -0.000 0.000 0.267 381 V C 0.478 176.586 176.094 0.024 0.000 1.042 381 V CA -0.358 61.954 62.300 0.020 0.000 1.000 381 V CB 0.048 31.903 31.823 0.053 0.000 1.015 381 V HN 0.523 nan 8.190 nan 0.000 0.478 382 K N 6.288 126.714 120.400 0.044 0.000 2.448 382 K HA 0.515 4.835 4.320 -0.000 0.000 0.278 382 K C -0.668 175.987 176.600 0.090 0.000 1.009 382 K CA 0.100 56.438 56.287 0.086 0.000 0.995 382 K CB 0.825 33.377 32.500 0.087 0.000 0.917 382 K HN 0.616 nan 8.250 nan 0.000 0.481 383 I N 0.125 120.787 120.570 0.153 0.000 3.176 383 I HA 0.100 4.270 4.170 -0.000 0.000 0.311 383 I C -1.412 174.846 176.117 0.235 0.000 1.373 383 I CA -0.645 60.730 61.300 0.126 0.000 0.938 383 I CB 1.855 39.879 38.000 0.039 0.000 1.322 383 I HN 0.751 nan 8.210 nan 0.000 0.499 384 Q N 4.646 124.556 119.800 0.184 0.000 2.485 384 Q HA 0.038 4.378 4.340 -0.000 0.000 0.348 384 Q C -1.832 174.367 176.000 0.331 0.000 1.097 384 Q CA -0.004 55.943 55.803 0.241 0.000 1.079 384 Q CB -0.063 28.860 28.738 0.307 0.000 1.108 384 Q HN 0.303 nan 8.270 nan 0.000 0.400 385 P HA -0.086 nan 4.420 nan 0.000 0.244 385 P C -0.535 176.752 177.300 -0.022 0.000 1.211 385 P CA 0.715 63.727 63.100 -0.147 0.000 0.760 385 P CB 0.512 32.100 31.700 -0.188 0.000 0.961 386 D N -1.212 119.308 120.400 0.199 0.000 2.366 386 D HA 0.005 4.645 4.640 -0.000 0.000 0.205 386 D C 0.488 176.981 176.300 0.321 0.000 1.022 386 D CA 0.557 54.684 54.000 0.210 0.000 0.868 386 D CB -0.580 40.312 40.800 0.153 0.000 0.953 386 D HN 0.059 nan 8.370 nan 0.000 0.514 387 T N 1.756 116.608 114.554 0.497 0.000 2.905 387 T HA 0.069 4.419 4.350 -0.000 0.000 0.299 387 T C 0.832 175.739 174.700 0.345 0.000 1.024 387 T CA 0.266 62.659 62.100 0.487 0.000 1.151 387 T CB 0.596 69.718 68.868 0.423 0.000 0.987 387 T HN -0.011 nan 8.240 nan 0.000 0.535 388 I N 4.482 125.159 120.570 0.178 0.000 2.315 388 I HA 0.261 4.431 4.170 -0.000 0.000 0.291 388 I C 0.077 176.170 176.117 -0.039 0.000 1.006 388 I CA -0.769 60.553 61.300 0.037 0.000 1.265 388 I CB 0.873 38.812 38.000 -0.103 0.000 1.387 388 I HN 0.355 nan 8.210 nan 0.000 0.475 389 I N 6.374 126.904 120.570 -0.066 0.000 2.315 389 I HA 0.206 4.376 4.170 -0.000 0.000 0.291 389 I C 0.160 176.249 176.117 -0.047 0.000 1.006 389 I CA -0.235 61.010 61.300 -0.092 0.000 1.265 389 I CB 1.059 38.919 38.000 -0.233 0.000 1.387 389 I HN 0.671 nan 8.210 nan 0.000 0.475 390 Q N 5.745 125.563 119.800 0.031 0.000 2.360 390 Q HA 0.372 4.712 4.340 -0.000 0.000 0.254 390 Q C -1.117 175.084 176.000 0.336 0.000 0.975 390 Q CA -0.477 55.405 55.803 0.131 0.000 0.912 390 Q CB 1.296 30.066 28.738 0.052 0.000 1.212 390 Q HN 0.501 nan 8.270 nan 0.000 0.452 391 V N 6.850 126.896 119.914 0.220 0.000 2.455 391 V HA 0.094 4.214 4.120 -0.000 0.000 0.273 391 V C 0.552 176.832 176.094 0.311 0.000 1.045 391 V CA 0.061 62.474 62.300 0.188 0.000 0.976 391 V CB 0.197 32.042 31.823 0.036 0.000 0.993 391 V HN 0.970 nan 8.190 nan 0.000 0.475 392 W N 4.366 125.769 121.300 0.170 0.000 3.231 392 W HA 0.324 4.984 4.660 -0.000 0.000 0.234 392 W C 0.470 176.894 176.519 -0.158 0.000 1.099 392 W CA -0.645 56.740 57.345 0.067 0.000 1.467 392 W CB 0.109 29.696 29.460 0.213 0.000 0.800 392 W HN 0.310 nan 8.180 nan 0.000 0.739 393 R N 2.565 122.419 120.500 -1.076 0.000 2.590 393 R HA 0.056 4.396 4.340 -0.000 0.000 0.274 393 R C 1.173 177.216 176.300 -0.428 0.000 1.061 393 R CA 0.545 56.024 56.100 -1.036 0.000 1.081 393 R CB 1.253 30.926 30.300 -1.045 0.000 0.984 393 R HN 0.132 nan 8.270 nan 0.000 0.448 394 E N 1.142 121.158 120.200 -0.308 0.000 2.057 394 E HA -0.102 4.248 4.350 -0.000 0.000 0.190 394 E C 0.329 176.937 176.600 0.013 0.000 0.969 394 E CA 0.835 57.190 56.400 -0.075 0.000 0.812 394 E CB 0.299 29.952 29.700 -0.078 0.000 0.777 394 E HN 0.560 nan 8.360 nan 0.000 0.455 395 D N -0.234 120.122 120.400 -0.073 0.000 2.473 395 D HA 0.148 4.788 4.640 -0.000 0.000 0.242 395 D C 0.551 176.804 176.300 -0.079 0.000 1.106 395 D CA 0.136 54.103 54.000 -0.055 0.000 0.854 395 D CB 1.113 41.890 40.800 -0.038 0.000 1.192 395 D HN 0.169 nan 8.370 nan 0.000 0.503 396 I N -1.905 118.593 120.570 -0.119 0.000 2.509 396 I HA 0.429 4.599 4.170 -0.000 0.000 0.293 396 I C -2.230 173.798 176.117 -0.147 0.000 1.020 396 I CA -2.311 58.925 61.300 -0.108 0.000 1.088 396 I CB 2.632 40.580 38.000 -0.087 0.000 1.267 396 I HN -0.402 nan 8.210 nan 0.000 0.430 397 P HA -0.021 nan 4.420 nan 0.000 0.218 397 P C 0.294 177.567 177.300 -0.044 0.000 1.149 397 P CA 0.751 63.821 63.100 -0.049 0.000 0.817 397 P CB 0.366 32.052 31.700 -0.022 0.000 0.785 398 V N -1.311 118.573 119.914 -0.050 0.000 3.181 398 V HA 0.337 4.457 4.120 -0.000 0.000 0.308 398 V C -0.802 175.256 176.094 -0.061 0.000 1.214 398 V CA -1.315 60.958 62.300 -0.045 0.000 1.053 398 V CB 2.167 33.975 31.823 -0.026 0.000 1.069 398 V HN -0.156 nan 8.190 nan 0.000 0.441 399 N N 1.533 120.189 118.700 -0.073 0.000 2.407 399 N HA -0.031 4.709 4.740 -0.000 0.000 0.250 399 N C 0.859 176.293 175.510 -0.127 0.000 1.236 399 N CA 1.015 54.000 53.050 -0.108 0.000 0.879 399 N CB 0.728 39.118 38.487 -0.162 0.000 1.088 399 N HN 0.801 nan 8.380 nan 0.000 0.450 400 Y N 2.321 122.544 120.300 -0.129 0.000 2.333 400 Y HA -0.094 4.456 4.550 -0.000 0.000 0.290 400 Y C 1.880 177.685 175.900 -0.159 0.000 1.144 400 Y CA 0.871 58.879 58.100 -0.154 0.000 1.228 400 Y CB -0.118 38.239 38.460 -0.171 0.000 0.985 400 Y HN 0.355 nan 8.280 nan 0.000 0.542 401 M N 0.741 120.002 119.600 -0.565 0.000 2.288 401 M HA -0.056 4.423 4.480 -0.000 0.000 0.266 401 M C 1.767 177.914 176.300 -0.255 0.000 1.072 401 M CA 1.159 56.232 55.300 -0.379 0.000 1.132 401 M CB -0.669 31.706 32.600 -0.374 0.000 1.386 401 M HN 0.285 nan 8.290 nan 0.000 0.432 402 K N 0.100 120.381 120.400 -0.199 0.000 2.155 402 K HA -0.127 4.193 4.320 -0.000 0.000 0.203 402 K C 1.893 178.423 176.600 -0.116 0.000 1.052 402 K CA 0.913 57.130 56.287 -0.116 0.000 0.948 402 K CB -0.083 32.371 32.500 -0.077 0.000 0.728 402 K HN 0.239 nan 8.250 nan 0.000 0.448 403 E N 1.485 121.611 120.200 -0.124 0.000 2.072 403 E HA -0.076 4.274 4.350 -0.000 0.000 0.191 403 E C 1.924 178.406 176.600 -0.197 0.000 0.985 403 E CA 0.887 57.231 56.400 -0.094 0.000 0.801 403 E CB -0.209 29.455 29.700 -0.061 0.000 0.750 403 E HN 0.152 nan 8.360 nan 0.000 0.452 404 L N 0.422 121.459 121.223 -0.310 0.000 2.131 404 L HA -0.131 4.209 4.340 -0.000 0.000 0.210 404 L C 2.586 179.054 176.870 -0.670 0.000 1.092 404 L CA 1.579 56.115 54.840 -0.507 0.000 0.759 404 L CB -0.349 41.311 42.059 -0.665 0.000 0.903 404 L HN 0.286 nan 8.230 nan 0.000 0.435 405 E N 0.105 119.962 120.200 -0.572 0.000 2.152 405 E HA -0.202 4.148 4.350 -0.000 0.000 0.192 405 E C 2.169 178.745 176.600 -0.039 0.000 0.983 405 E CA 0.747 56.993 56.400 -0.256 0.000 0.818 405 E CB 0.201 29.907 29.700 0.009 0.000 0.758 405 E HN 0.268 nan 8.360 nan 0.000 0.467 406 L N -0.033 121.171 121.223 -0.031 0.000 2.068 406 L HA -0.112 4.228 4.340 -0.000 0.000 0.204 406 L C 2.346 179.265 176.870 0.081 0.000 1.076 406 L CA 0.897 55.806 54.840 0.114 0.000 0.753 406 L CB -0.661 41.538 42.059 0.234 0.000 0.910 406 L HN 0.058 nan 8.230 nan 0.000 0.439 407 V N -0.350 119.411 119.914 -0.257 0.000 2.332 407 V HA -0.301 3.819 4.120 -0.000 0.000 0.248 407 V C 2.524 178.558 176.094 -0.101 0.000 1.055 407 V CA 2.241 64.199 62.300 -0.571 0.000 1.038 407 V CB -1.235 30.187 31.823 -0.669 0.000 0.651 407 V HN 0.700 nan 8.190 nan 0.000 0.450 408 T N -2.229 112.298 114.554 -0.045 0.000 3.055 408 T HA -0.104 4.246 4.350 -0.000 0.000 0.265 408 T C 1.709 176.488 174.700 0.132 0.000 1.111 408 T CA 1.058 63.205 62.100 0.078 0.000 1.118 408 T CB -0.120 68.829 68.868 0.134 0.000 0.909 408 T HN 0.305 nan 8.240 nan 0.000 0.501 409 K N 1.878 122.361 120.400 0.139 0.000 2.228 409 K HA 0.387 4.707 4.320 -0.000 0.000 0.202 409 K C 2.123 178.830 176.600 0.177 0.000 1.051 409 K CA 0.867 57.247 56.287 0.155 0.000 0.960 409 K CB -0.700 31.892 32.500 0.153 0.000 0.743 409 K HN 0.402 nan 8.250 nan 0.000 0.458 410 A N -0.574 122.402 122.820 0.261 0.000 2.208 410 A HA 0.311 4.631 4.320 -0.000 0.000 0.209 410 A C 1.243 178.938 177.584 0.185 0.000 1.161 410 A CA 0.657 52.903 52.037 0.348 0.000 0.782 410 A CB -0.421 18.999 19.000 0.701 0.000 0.816 410 A HN 0.438 nan 8.150 nan 0.000 0.477 411 G N -2.003 106.863 108.800 0.109 0.000 2.130 411 G HA2 -0.212 3.748 3.960 -0.000 0.000 0.216 411 G HA3 -0.212 3.748 3.960 -0.000 0.000 0.216 411 G C -0.144 174.642 174.900 -0.189 0.000 0.999 411 G CA 0.044 45.111 45.100 -0.056 0.000 0.686 411 G HN 0.294 nan 8.290 nan 0.000 0.515 412 F N 0.083 120.053 119.950 0.034 0.000 2.440 412 F HA 0.680 5.207 4.527 -0.000 0.000 0.328 412 F C 1.245 177.035 175.800 -0.015 0.000 1.070 412 F CA -0.956 57.051 58.000 0.012 0.000 1.011 412 F CB 1.057 40.040 39.000 -0.027 0.000 1.226 412 F HN -0.094 nan 8.300 nan 0.000 0.491 413 R N 1.428 122.045 120.500 0.195 0.000 2.267 413 R HA 0.591 4.931 4.340 -0.000 0.000 0.319 413 R C -0.426 175.894 176.300 0.034 0.000 1.067 413 R CA -0.493 55.663 56.100 0.093 0.000 0.936 413 R CB 0.778 31.118 30.300 0.067 0.000 1.006 413 R HN 0.695 nan 8.270 nan 0.000 0.452 414 A N 3.175 125.994 122.820 -0.001 0.000 2.279 414 A HA 0.537 4.857 4.320 -0.000 0.000 0.303 414 A C -0.937 176.605 177.584 -0.069 0.000 1.108 414 A CA -0.538 51.463 52.037 -0.059 0.000 0.830 414 A CB 0.852 19.799 19.000 -0.089 0.000 1.106 414 A HN 0.512 nan 8.150 nan 0.000 0.493 415 L N 2.081 123.260 121.223 -0.074 0.000 2.485 415 L HA 0.407 4.747 4.340 -0.000 0.000 0.260 415 L C -0.971 175.906 176.870 0.012 0.000 0.998 415 L CA -0.364 54.436 54.840 -0.067 0.000 0.883 415 L CB 1.268 43.245 42.059 -0.137 0.000 1.196 415 L HN 0.698 nan 8.230 nan 0.000 0.443 416 L N 3.035 124.260 121.223 0.005 0.000 2.416 416 L HA 0.474 4.814 4.340 -0.000 0.000 0.272 416 L C 0.759 177.683 176.870 0.090 0.000 1.161 416 L CA 1.222 56.056 54.840 -0.010 0.000 0.845 416 L CB 1.277 43.267 42.059 -0.115 0.000 1.119 416 L HN 0.712 nan 8.230 nan 0.000 0.464 417 S N 2.083 117.823 115.700 0.067 0.000 2.857 417 S HA 0.310 4.780 4.470 -0.000 0.000 0.238 417 S C 1.031 175.749 174.600 0.197 0.000 0.875 417 S CA 0.269 58.623 58.200 0.256 0.000 1.368 417 S CB -0.210 63.242 63.200 0.420 0.000 1.238 417 S HN 0.885 nan 8.310 nan 0.000 0.635 418 A N 3.230 125.957 122.820 -0.155 0.000 1.840 418 A HA 0.218 4.538 4.320 -0.000 0.000 0.214 418 A C -0.225 177.084 177.584 -0.459 0.000 1.198 418 A CA 1.428 53.254 52.037 -0.353 0.000 0.608 418 A CB -1.332 17.325 19.000 -0.572 0.000 0.839 418 A HN 0.554 nan 8.150 nan 0.000 0.443 419 P HA -0.051 nan 4.420 nan 0.000 0.236 419 P C -0.122 177.257 177.300 0.132 0.000 1.177 419 P CA 0.439 63.297 63.100 -0.403 0.000 0.773 419 P CB -0.104 31.245 31.700 -0.585 0.000 0.878 420 W N 0.202 121.622 121.300 0.200 0.000 2.237 420 W HA 0.243 4.903 4.660 -0.000 0.000 0.420 420 W C -0.374 176.209 176.519 0.108 0.000 0.635 420 W CA -0.752 56.630 57.345 0.062 0.000 2.255 420 W CB -1.294 28.150 29.460 -0.027 0.000 1.432 420 W HN -0.056 nan 8.180 nan 0.000 0.643 421 Y N 1.219 121.636 120.300 0.194 0.000 2.535 421 Y HA 0.153 4.703 4.550 -0.000 0.000 0.349 421 Y C 1.356 177.322 175.900 0.111 0.000 0.992 421 Y CA -0.438 57.757 58.100 0.157 0.000 1.248 421 Y CB 0.467 39.064 38.460 0.228 0.000 1.124 421 Y HN -0.037 nan 8.280 nan 0.000 0.520 422 L N 2.363 123.561 121.223 -0.042 0.000 2.313 422 L HA -0.153 4.187 4.340 -0.000 0.000 0.214 422 L C 1.892 178.786 176.870 0.040 0.000 1.119 422 L CA 0.580 55.383 54.840 -0.062 0.000 0.809 422 L CB -0.120 41.796 42.059 -0.239 0.000 0.933 422 L HN 0.609 nan 8.230 nan 0.000 0.449 423 N N 1.042 119.773 118.700 0.052 0.000 2.289 423 N HA -0.219 4.521 4.740 -0.000 0.000 0.184 423 N C 0.956 176.589 175.510 0.205 0.000 1.016 423 N CA 0.821 53.954 53.050 0.138 0.000 0.872 423 N CB -0.367 38.242 38.487 0.204 0.000 0.973 423 N HN 0.255 nan 8.380 nan 0.000 0.433 424 R N 1.478 122.133 120.500 0.259 0.000 2.441 424 R HA 0.204 4.544 4.340 -0.000 0.000 0.300 424 R C 0.218 176.651 176.300 0.223 0.000 1.284 424 R CA -0.219 56.030 56.100 0.248 0.000 1.069 424 R CB -0.116 30.361 30.300 0.295 0.000 1.087 424 R HN 0.444 nan 8.270 nan 0.000 0.519 425 I N -0.472 120.192 120.570 0.157 0.000 2.577 425 I HA 0.531 4.701 4.170 -0.000 0.000 0.300 425 I C -0.061 176.123 176.117 0.112 0.000 0.990 425 I CA -0.441 60.940 61.300 0.136 0.000 1.283 425 I CB 1.915 39.971 38.000 0.093 0.000 1.411 425 I HN 0.378 nan 8.210 nan 0.000 0.515 426 S N 3.163 118.929 115.700 0.109 0.000 2.570 426 S HA 0.371 4.841 4.470 -0.000 0.000 0.270 426 S C -0.923 173.747 174.600 0.117 0.000 1.149 426 S CA -0.815 57.447 58.200 0.104 0.000 0.837 426 S CB 0.977 64.226 63.200 0.081 0.000 1.124 426 S HN 0.775 nan 8.310 nan 0.000 0.465 427 Y N 2.372 122.685 120.300 0.021 0.000 2.597 427 Y HA 0.432 4.982 4.550 -0.000 0.000 0.336 427 Y C 0.958 176.870 175.900 0.020 0.000 1.216 427 Y CA 2.101 60.214 58.100 0.021 0.000 1.463 427 Y CB -0.230 38.237 38.460 0.011 0.000 1.303 427 Y HN 1.725 nan 8.280 nan 0.000 0.576 428 G N 5.020 113.365 108.800 -0.758 0.000 2.698 428 G HA2 -0.179 3.781 3.960 -0.000 0.000 0.225 428 G HA3 -0.179 3.781 3.960 -0.000 0.000 0.225 428 G C -2.810 171.978 174.900 -0.186 0.000 1.345 428 G CA -0.651 44.126 45.100 -0.539 0.000 0.871 428 G HN 0.764 nan 8.290 nan 0.000 0.540 429 P HA 0.247 nan 4.420 nan 0.000 0.252 429 P C 0.089 177.275 177.300 -0.189 0.000 1.727 429 P CA 0.277 63.378 63.100 0.002 0.000 1.134 429 P CB 0.234 31.934 31.700 0.000 0.000 1.876 430 D N 1.144 121.499 120.400 -0.075 0.000 2.363 430 D HA -0.138 4.502 4.640 -0.000 0.000 0.226 430 D C 1.492 177.614 176.300 -0.297 0.000 1.020 430 D CA -0.006 53.867 54.000 -0.211 0.000 0.892 430 D CB -0.651 40.062 40.800 -0.145 0.000 0.900 430 D HN 0.461 nan 8.370 nan 0.000 0.531 431 W N 1.777 123.072 121.300 -0.008 0.000 2.465 431 W HA 0.034 4.694 4.660 -0.000 0.000 0.268 431 W C 0.920 177.536 176.519 0.162 0.000 1.242 431 W CA 0.109 57.570 57.345 0.194 0.000 1.248 431 W CB -0.509 29.068 29.460 0.195 0.000 1.118 431 W HN -0.064 nan 8.180 nan 0.000 0.587 432 K N 0.694 120.609 120.400 -0.807 0.000 2.211 432 K HA -0.130 4.190 4.320 -0.000 0.000 0.203 432 K C 1.429 177.909 176.600 -0.201 0.000 1.050 432 K CA 1.739 57.599 56.287 -0.713 0.000 0.945 432 K CB -0.141 31.877 32.500 -0.803 0.000 0.732 432 K HN -0.044 nan 8.250 nan 0.000 0.451 433 D N 0.340 120.582 120.400 -0.265 0.000 2.149 433 D HA -0.092 4.548 4.640 -0.000 0.000 0.201 433 D C 1.596 177.929 176.300 0.054 0.000 0.972 433 D CA 1.042 54.930 54.000 -0.186 0.000 0.835 433 D CB -0.154 40.420 40.800 -0.376 0.000 0.966 433 D HN 0.097 nan 8.370 nan 0.000 0.476 434 F N -0.469 119.699 119.950 0.362 0.000 2.259 434 F HA -0.038 4.489 4.527 -0.000 0.000 0.298 434 F C 2.213 178.368 175.800 0.592 0.000 1.088 434 F CA 0.196 58.546 58.000 0.583 0.000 1.358 434 F CB -0.977 38.305 39.000 0.470 0.000 1.040 434 F HN -0.004 nan 8.300 nan 0.000 0.505 435 Y N -0.434 120.174 120.300 0.513 0.000 2.395 435 Y HA 0.002 4.552 4.550 -0.000 0.000 0.293 435 Y C 2.235 178.348 175.900 0.354 0.000 1.123 435 Y CA 0.733 59.106 58.100 0.454 0.000 1.227 435 Y CB -0.125 38.650 38.460 0.526 0.000 1.012 435 Y HN -0.119 nan 8.280 nan 0.000 0.552 436 V N 0.111 120.223 119.914 0.330 0.000 3.461 436 V HA 0.065 4.185 4.120 -0.000 0.000 0.267 436 V C 0.484 176.696 176.094 0.197 0.000 1.186 436 V CA 0.097 62.518 62.300 0.202 0.000 1.154 436 V CB -0.454 31.466 31.823 0.161 0.000 0.802 436 V HN 0.030 nan 8.190 nan 0.000 0.474 437 V N 2.156 122.253 119.914 0.306 0.000 2.599 437 V HA 0.121 4.241 4.120 -0.000 0.000 0.300 437 V C 0.242 176.504 176.094 0.281 0.000 1.034 437 V CA 0.219 62.703 62.300 0.308 0.000 1.115 437 V CB 1.019 33.080 31.823 0.395 0.000 0.934 437 V HN 0.590 nan 8.190 nan 0.000 0.485 438 E N 7.764 128.093 120.200 0.215 0.000 2.141 438 E HA 0.411 4.761 4.350 -0.000 0.000 0.259 438 E C -2.055 174.679 176.600 0.225 0.000 0.883 438 E CA -2.263 54.264 56.400 0.212 0.000 0.744 438 E CB 1.826 31.619 29.700 0.154 0.000 1.150 438 E HN 0.306 nan 8.360 nan 0.000 0.420 439 P HA -0.088 nan 4.420 nan 0.000 0.218 439 P C 0.369 177.881 177.300 0.353 0.000 1.148 439 P CA 1.045 64.285 63.100 0.233 0.000 0.822 439 P CB 0.233 32.032 31.700 0.166 0.000 0.784 440 L N -1.665 119.761 121.223 0.338 0.000 2.791 440 L HA 0.317 4.657 4.340 -0.000 0.000 0.239 440 L C 1.012 177.933 176.870 0.086 0.000 1.203 440 L CA -0.373 54.622 54.840 0.259 0.000 1.002 440 L CB -0.285 41.867 42.059 0.155 0.000 1.295 440 L HN -0.146 nan 8.230 nan 0.000 0.504 441 A N 1.099 124.043 122.820 0.206 0.000 3.019 441 A HA 0.365 4.685 4.320 -0.000 0.000 0.262 441 A C -0.123 177.562 177.584 0.168 0.000 1.509 441 A CA -0.204 51.903 52.037 0.116 0.000 1.159 441 A CB -0.989 18.073 19.000 0.104 0.000 1.042 441 A HN 0.370 nan 8.150 nan 0.000 0.641 442 F N -2.518 117.436 119.950 0.007 0.000 2.599 442 F HA 0.618 5.145 4.527 -0.000 0.000 0.311 442 F C -0.348 175.457 175.800 0.008 0.000 1.076 442 F CA -1.599 56.397 58.000 -0.007 0.000 0.937 442 F CB 1.020 40.010 39.000 -0.017 0.000 1.282 442 F HN 0.086 nan 8.300 nan 0.000 0.460 443 E N 1.347 121.590 120.200 0.072 0.000 2.159 443 E HA 0.505 4.855 4.350 -0.000 0.000 0.272 443 E C -0.194 176.407 176.600 0.002 0.000 1.138 443 E CA 0.106 56.498 56.400 -0.013 0.000 0.915 443 E CB 0.062 29.785 29.700 0.039 0.000 1.028 443 E HN 1.014 nan 8.360 nan 0.000 0.423 444 G N 2.327 111.033 108.800 -0.156 0.000 2.608 444 G HA2 0.306 4.266 3.960 -0.000 0.000 0.291 444 G HA3 0.306 4.266 3.960 -0.000 0.000 0.291 444 G C -0.592 174.254 174.900 -0.089 0.000 1.425 444 G CA -0.512 44.544 45.100 -0.073 0.000 0.787 444 G HN 0.441 nan 8.290 nan 0.000 0.484 445 T N -0.739 113.805 114.554 -0.016 0.000 2.899 445 T HA 0.549 4.899 4.350 -0.000 0.000 0.284 445 T C -1.494 173.196 174.700 -0.017 0.000 1.004 445 T CA -1.244 60.848 62.100 -0.013 0.000 1.043 445 T CB 2.029 70.906 68.868 0.015 0.000 1.013 445 T HN 0.132 nan 8.240 nan 0.000 0.518 446 P HA -0.221 nan 4.420 nan 0.000 0.214 446 P C 1.621 178.932 177.300 0.018 0.000 1.172 446 P CA 1.413 64.508 63.100 -0.007 0.000 0.925 446 P CB -0.008 31.690 31.700 -0.004 0.000 0.793 447 E N -0.047 120.168 120.200 0.025 0.000 2.409 447 E HA -0.213 4.137 4.350 -0.000 0.000 0.198 447 E C 1.983 178.620 176.600 0.062 0.000 1.024 447 E CA 0.828 57.252 56.400 0.039 0.000 0.861 447 E CB -0.768 28.950 29.700 0.030 0.000 0.788 447 E HN 0.474 nan 8.360 nan 0.000 0.521 448 Q N 1.410 121.253 119.800 0.071 0.000 2.123 448 Q HA -0.039 4.301 4.340 -0.000 0.000 0.196 448 Q C 1.747 177.854 176.000 0.179 0.000 0.958 448 Q CA 0.791 56.665 55.803 0.118 0.000 0.841 448 Q CB 0.191 29.004 28.738 0.125 0.000 0.915 448 Q HN 0.146 nan 8.270 nan 0.000 0.455 449 K N -0.086 120.396 120.400 0.137 0.000 2.365 449 K HA 0.025 4.345 4.320 -0.000 0.000 0.199 449 K C 1.805 178.524 176.600 0.199 0.000 1.045 449 K CA 0.646 57.047 56.287 0.191 0.000 0.962 449 K CB 0.107 32.601 32.500 -0.009 0.000 0.759 449 K HN 0.181 nan 8.250 nan 0.000 0.469 450 A N 1.213 124.114 122.820 0.136 0.000 2.121 450 A HA -0.055 4.265 4.320 -0.000 0.000 0.218 450 A C 1.917 179.587 177.584 0.144 0.000 1.154 450 A CA 0.861 52.974 52.037 0.127 0.000 0.679 450 A CB -0.446 18.602 19.000 0.079 0.000 0.795 450 A HN 0.167 nan 8.150 nan 0.000 0.458 451 L N -0.190 121.119 121.223 0.145 0.000 2.275 451 L HA -0.039 4.301 4.340 -0.000 0.000 0.215 451 L C 0.254 177.202 176.870 0.130 0.000 1.119 451 L CA 0.041 54.956 54.840 0.124 0.000 0.790 451 L CB -0.339 41.788 42.059 0.113 0.000 0.919 451 L HN 0.096 nan 8.230 nan 0.000 0.443 452 V N 2.485 122.508 119.914 0.181 0.000 2.439 452 V HA -0.021 4.099 4.120 -0.000 0.000 0.271 452 V C 1.057 177.281 176.094 0.217 0.000 1.040 452 V CA 0.176 62.572 62.300 0.161 0.000 1.002 452 V CB 0.845 32.798 31.823 0.217 0.000 1.000 452 V HN 0.248 nan 8.190 nan 0.000 0.477 453 I N 2.208 122.854 120.570 0.127 0.000 3.914 453 I HA 0.710 4.880 4.170 -0.000 0.000 0.333 453 I C 0.818 177.048 176.117 0.189 0.000 1.449 453 I CA 0.276 61.697 61.300 0.202 0.000 1.135 453 I CB -0.095 37.969 38.000 0.106 0.000 1.073 453 I HN 0.732 nan 8.210 nan 0.000 0.401 454 G N 0.811 109.541 108.800 -0.116 0.000 2.341 454 G HA2 0.299 4.259 3.960 -0.000 0.000 0.196 454 G HA3 0.299 4.259 3.960 -0.000 0.000 0.196 454 G C -0.366 174.492 174.900 -0.071 0.000 1.231 454 G CA -0.357 44.562 45.100 -0.303 0.000 1.155 454 G HN 0.936 nan 8.290 nan 0.000 0.529 455 G N -1.500 107.401 108.800 0.168 0.000 2.490 455 G HA2 0.687 4.647 3.960 -0.000 0.000 0.308 455 G HA3 0.687 4.647 3.960 -0.000 0.000 0.308 455 G C -1.605 173.511 174.900 0.360 0.000 1.286 455 G CA 0.373 45.652 45.100 0.299 0.000 0.825 455 G HN 0.924 nan 8.290 nan 0.000 0.479 456 E N -1.217 119.207 120.200 0.373 0.000 2.408 456 E HA 0.621 4.971 4.350 -0.000 0.000 0.275 456 E C -0.658 176.088 176.600 0.244 0.000 0.935 456 E CA -0.950 55.596 56.400 0.244 0.000 0.775 456 E CB 2.624 32.445 29.700 0.202 0.000 1.277 456 E HN 0.772 nan 8.360 nan 0.000 0.455 457 A N 1.083 123.925 122.820 0.037 0.000 2.305 457 A HA 0.557 4.877 4.320 -0.000 0.000 0.322 457 A C -0.643 176.812 177.584 -0.214 0.000 1.187 457 A CA -0.505 51.501 52.037 -0.053 0.000 0.825 457 A CB 0.433 19.302 19.000 -0.219 0.000 1.164 457 A HN 0.647 nan 8.150 nan 0.000 0.498 458 C N 2.118 121.230 119.300 -0.313 0.000 2.376 458 C HA 0.696 5.156 4.460 -0.000 0.000 0.335 458 C C 0.247 174.833 174.990 -0.673 0.000 1.229 458 C CA -0.262 58.350 59.018 -0.677 0.000 1.867 458 C CB 0.575 27.706 27.740 -1.015 0.000 2.319 458 C HN 0.878 nan 8.230 nan 0.000 0.515 459 M N 3.534 122.688 119.600 -0.744 0.000 2.126 459 M HA 0.365 4.845 4.480 -0.000 0.000 0.217 459 M C -1.257 174.761 176.300 -0.470 0.000 0.873 459 M CA -0.336 54.673 55.300 -0.486 0.000 0.707 459 M CB 0.054 32.436 32.600 -0.363 0.000 1.515 459 M HN 0.747 nan 8.290 nan 0.000 0.369 460 W N 1.483 122.615 121.300 -0.281 0.000 2.181 460 W HA 0.470 5.130 4.660 -0.000 0.000 0.335 460 W C 1.406 177.856 176.519 -0.115 0.000 1.310 460 W CA -0.225 56.975 57.345 -0.242 0.000 1.226 460 W CB 0.711 29.996 29.460 -0.291 0.000 1.155 460 W HN 0.771 nan 8.180 nan 0.000 0.565 461 G N 1.156 110.073 108.800 0.195 0.000 3.233 461 G HA2 -0.052 3.908 3.960 -0.000 0.000 0.227 461 G HA3 -0.052 3.908 3.960 -0.000 0.000 0.227 461 G C 1.028 176.060 174.900 0.220 0.000 1.175 461 G CA -0.128 45.089 45.100 0.194 0.000 0.781 461 G HN 0.483 nan 8.290 nan 0.000 0.542 462 E N 0.380 120.597 120.200 0.028 0.000 2.086 462 E HA -0.178 4.172 4.350 -0.000 0.000 0.200 462 E C 0.539 176.893 176.600 -0.410 0.000 1.012 462 E CA 1.479 57.690 56.400 -0.316 0.000 0.812 462 E CB -0.192 29.124 29.700 -0.639 0.000 0.743 462 E HN 0.669 nan 8.360 nan 0.000 0.453 463 Y N -1.765 118.631 120.300 0.161 0.000 2.715 463 Y HA 0.397 4.947 4.550 -0.000 0.000 0.255 463 Y C -0.711 175.163 175.900 -0.043 0.000 1.139 463 Y CA -0.504 57.644 58.100 0.080 0.000 1.151 463 Y CB 0.889 39.385 38.460 0.061 0.000 1.201 463 Y HN -0.256 nan 8.280 nan 0.000 0.556 464 V N 1.569 121.481 119.914 -0.003 0.000 2.638 464 V HA 0.524 4.644 4.120 -0.000 0.000 0.306 464 V C -0.842 175.121 176.094 -0.218 0.000 1.052 464 V CA -0.678 61.571 62.300 -0.084 0.000 0.885 464 V CB 2.050 33.867 31.823 -0.009 0.000 0.999 464 V HN 0.377 nan 8.190 nan 0.000 0.424 465 D N 1.811 122.072 120.400 -0.232 0.000 3.009 465 D HA 0.141 4.781 4.640 -0.000 0.000 0.318 465 D C 0.797 177.059 176.300 -0.062 0.000 1.273 465 D CA -0.492 53.419 54.000 -0.147 0.000 1.001 465 D CB 0.453 41.103 40.800 -0.250 0.000 1.411 465 D HN 0.237 nan 8.370 nan 0.000 0.577 466 N N -1.495 117.198 118.700 -0.012 0.000 2.417 466 N HA -0.206 4.534 4.740 -0.000 0.000 0.187 466 N C 0.964 176.470 175.510 -0.007 0.000 1.027 466 N CA 1.419 54.469 53.050 0.000 0.000 0.891 466 N CB 0.111 38.616 38.487 0.031 0.000 0.956 466 N HN 0.437 nan 8.380 nan 0.000 0.442 467 T N -0.015 114.526 114.554 -0.022 0.000 3.009 467 T HA 0.011 4.361 4.350 -0.000 0.000 0.258 467 T C 0.979 175.667 174.700 -0.021 0.000 1.063 467 T CA 1.018 63.110 62.100 -0.014 0.000 1.139 467 T CB 0.001 68.861 68.868 -0.014 0.000 0.890 467 T HN 0.505 nan 8.240 nan 0.000 0.471 468 N N 0.490 119.166 118.700 -0.040 0.000 2.184 468 N HA 0.111 4.851 4.740 -0.000 0.000 0.234 468 N C 1.204 176.681 175.510 -0.056 0.000 1.282 468 N CA -0.147 52.879 53.050 -0.040 0.000 0.877 468 N CB -0.505 37.964 38.487 -0.030 0.000 1.184 468 N HN 0.285 nan 8.380 nan 0.000 0.510 469 L N 0.940 122.127 121.223 -0.060 0.000 1.976 469 L HA 0.001 4.341 4.340 -0.000 0.000 0.209 469 L C 1.784 178.595 176.870 -0.099 0.000 1.071 469 L CA 1.588 56.379 54.840 -0.081 0.000 0.746 469 L CB -0.685 41.333 42.059 -0.068 0.000 0.890 469 L HN -0.029 nan 8.230 nan 0.000 0.432 470 V N 1.247 121.130 119.914 -0.051 0.000 2.252 470 V HA -0.215 3.905 4.120 -0.000 0.000 0.249 470 V C -0.195 175.878 176.094 -0.034 0.000 1.056 470 V CA 2.456 64.758 62.300 0.003 0.000 1.022 470 V CB -2.374 29.463 31.823 0.023 0.000 0.641 470 V HN 0.449 nan 8.190 nan 0.000 0.445 471 P HA -0.181 nan 4.420 nan 0.000 0.218 471 P C 1.609 178.857 177.300 -0.087 0.000 1.149 471 P CA 1.513 64.560 63.100 -0.087 0.000 0.817 471 P CB -0.056 31.589 31.700 -0.091 0.000 0.785 472 R N -0.512 119.925 120.500 -0.106 0.000 2.119 472 R HA 0.061 4.401 4.340 -0.000 0.000 0.222 472 R C 2.495 178.667 176.300 -0.213 0.000 1.088 472 R CA 0.546 56.580 56.100 -0.110 0.000 0.984 472 R CB -0.581 29.669 30.300 -0.084 0.000 0.884 472 R HN 0.131 nan 8.270 nan 0.000 0.447 473 L N -0.706 120.292 121.223 -0.376 0.000 2.007 473 L HA -0.028 4.312 4.340 -0.000 0.000 0.205 473 L C 0.259 176.647 176.870 -0.803 0.000 1.073 473 L CA 0.920 55.290 54.840 -0.783 0.000 0.744 473 L CB -0.150 41.162 42.059 -1.245 0.000 0.898 473 L HN 0.144 nan 8.230 nan 0.000 0.435 474 W N -0.590 120.654 121.300 -0.094 0.000 2.570 474 W HA 0.332 4.992 4.660 -0.000 0.000 0.337 474 W C -1.881 174.550 176.519 -0.146 0.000 1.067 474 W CA -1.734 55.541 57.345 -0.116 0.000 1.229 474 W CB 0.070 29.449 29.460 -0.135 0.000 1.355 474 W HN -0.171 nan 8.180 nan 0.000 0.555 475 P HA 0.184 nan 4.420 nan 0.000 0.248 475 P C 0.690 177.994 177.300 0.006 0.000 1.708 475 P CA -0.073 63.066 63.100 0.065 0.000 1.062 475 P CB 0.295 31.890 31.700 -0.175 0.000 1.562 476 R N 0.459 120.974 120.500 0.025 0.000 2.073 476 R HA 0.042 4.382 4.340 -0.000 0.000 0.229 476 R C 2.085 178.423 176.300 0.063 0.000 1.120 476 R CA 1.484 57.657 56.100 0.120 0.000 0.967 476 R CB -0.853 29.541 30.300 0.156 0.000 0.862 476 R HN 0.159 nan 8.270 nan 0.000 0.436 477 A N 0.889 123.635 122.820 -0.123 0.000 2.125 477 A HA -0.053 4.267 4.320 -0.000 0.000 0.219 477 A C 2.223 179.890 177.584 0.138 0.000 1.156 477 A CA 1.471 53.402 52.037 -0.176 0.000 0.671 477 A CB -0.763 17.893 19.000 -0.574 0.000 0.794 477 A HN 0.464 nan 8.150 nan 0.000 0.459 478 G N -0.501 108.472 108.800 0.288 0.000 2.443 478 G HA2 0.039 3.999 3.960 -0.000 0.000 0.219 478 G HA3 0.039 3.999 3.960 -0.000 0.000 0.219 478 G C 1.632 176.864 174.900 0.553 0.000 1.131 478 G CA 1.133 46.463 45.100 0.384 0.000 0.775 478 G HN 0.716 nan 8.290 nan 0.000 0.547 479 A N 0.228 123.311 122.820 0.438 0.000 1.930 479 A HA 0.100 4.420 4.320 -0.000 0.000 0.217 479 A C 2.557 180.392 177.584 0.418 0.000 1.175 479 A CA 1.726 54.173 52.037 0.684 0.000 0.627 479 A CB -0.466 19.008 19.000 0.790 0.000 0.815 479 A HN 0.245 nan 8.150 nan 0.000 0.443 480 V N -0.190 119.747 119.914 0.038 0.000 2.453 480 V HA -0.180 3.940 4.120 -0.000 0.000 0.247 480 V C 3.012 179.006 176.094 -0.168 0.000 1.048 480 V CA 1.625 63.662 62.300 -0.439 0.000 1.049 480 V CB -1.256 30.117 31.823 -0.749 0.000 0.672 480 V HN 0.598 nan 8.190 nan 0.000 0.457 481 A N 0.269 123.139 122.820 0.084 0.000 1.883 481 A HA -0.313 4.007 4.320 -0.000 0.000 0.217 481 A C 2.291 179.960 177.584 0.143 0.000 1.186 481 A CA 2.260 54.393 52.037 0.160 0.000 0.624 481 A CB -0.535 18.634 19.000 0.282 0.000 0.822 481 A HN 0.642 nan 8.150 nan 0.000 0.444 482 E N -0.971 119.316 120.200 0.146 0.000 2.152 482 E HA -0.209 4.141 4.350 -0.000 0.000 0.192 482 E C 2.132 178.774 176.600 0.070 0.000 0.983 482 E CA 1.063 57.426 56.400 -0.061 0.000 0.818 482 E CB -0.050 29.369 29.700 -0.469 0.000 0.758 482 E HN 0.370 nan 8.360 nan 0.000 0.467 483 R N 0.405 120.961 120.500 0.093 0.000 2.148 483 R HA 0.016 4.355 4.340 -0.000 0.000 0.227 483 R C 1.804 178.260 176.300 0.261 0.000 1.103 483 R CA 1.093 57.254 56.100 0.101 0.000 0.983 483 R CB -0.243 30.117 30.300 0.100 0.000 0.874 483 R HN 0.302 nan 8.270 nan 0.000 0.451 484 L N -1.257 120.119 121.223 0.256 0.000 2.477 484 L HA 0.081 4.421 4.340 -0.000 0.000 0.220 484 L C 1.884 179.024 176.870 0.450 0.000 1.106 484 L CA 0.093 55.206 54.840 0.456 0.000 0.851 484 L CB -0.196 42.029 42.059 0.277 0.000 0.994 484 L HN 0.310 nan 8.230 nan 0.000 0.462 485 W N 0.277 121.644 121.300 0.113 0.000 2.922 485 W HA 0.201 4.861 4.660 -0.000 0.000 0.260 485 W C 0.911 177.396 176.519 -0.058 0.000 1.088 485 W CA 0.104 57.467 57.345 0.030 0.000 1.694 485 W CB 0.075 29.535 29.460 -0.001 0.000 1.064 485 W HN -0.142 nan 8.180 nan 0.000 0.611 486 S N 2.167 118.042 115.700 0.292 0.000 2.587 486 S HA -0.033 4.437 4.470 -0.000 0.000 0.260 486 S C 0.173 174.770 174.600 -0.005 0.000 1.353 486 S CA -0.393 57.898 58.200 0.152 0.000 0.995 486 S CB 0.191 63.483 63.200 0.152 0.000 0.912 486 S HN 0.158 nan 8.310 nan 0.000 0.568 487 N N 1.335 120.025 118.700 -0.017 0.000 2.415 487 N HA -0.008 4.732 4.740 -0.000 0.000 0.248 487 N C 1.099 176.615 175.510 0.010 0.000 1.271 487 N CA -0.087 52.938 53.050 -0.042 0.000 0.913 487 N CB 0.464 38.944 38.487 -0.012 0.000 1.129 487 N HN 0.504 nan 8.380 nan 0.000 0.444 488 K N 2.514 122.915 120.400 0.002 0.000 2.097 488 K HA -0.063 4.257 4.320 -0.000 0.000 0.206 488 K C 1.505 178.132 176.600 0.045 0.000 1.049 488 K CA 1.069 57.378 56.287 0.037 0.000 0.933 488 K CB -0.241 32.280 32.500 0.035 0.000 0.717 488 K HN 0.615 nan 8.250 nan 0.000 0.442 489 L N 1.061 122.310 121.223 0.043 0.000 2.465 489 L HA -0.028 4.312 4.340 -0.000 0.000 0.224 489 L C 0.573 177.481 176.870 0.063 0.000 1.145 489 L CA 0.415 55.283 54.840 0.048 0.000 0.834 489 L CB -0.213 41.870 42.059 0.040 0.000 0.944 489 L HN -0.059 nan 8.230 nan 0.000 0.451 490 T N 0.314 114.918 114.554 0.083 0.000 2.978 490 T HA 0.139 4.489 4.350 -0.000 0.000 0.278 490 T C 0.831 175.612 174.700 0.135 0.000 0.945 490 T CA 0.234 62.410 62.100 0.126 0.000 1.070 490 T CB 0.047 69.021 68.868 0.177 0.000 0.948 490 T HN 0.358 nan 8.240 nan 0.000 0.617 491 S N 0.643 116.454 115.700 0.185 0.000 3.051 491 S HA 0.134 4.604 4.470 -0.000 0.000 0.250 491 S C -0.480 174.336 174.600 0.361 0.000 0.906 491 S CA -0.771 57.578 58.200 0.248 0.000 1.234 491 S CB -0.024 63.237 63.200 0.101 0.000 1.175 491 S HN 0.487 nan 8.310 nan 0.000 0.635 492 D N 1.784 122.375 120.400 0.318 0.000 2.339 492 D HA 0.359 4.999 4.640 -0.000 0.000 0.256 492 D C 1.083 177.573 176.300 0.317 0.000 1.214 492 D CA -0.428 53.726 54.000 0.256 0.000 0.877 492 D CB 0.676 41.577 40.800 0.169 0.000 1.111 492 D HN 0.032 nan 8.370 nan 0.000 0.478 493 L N 3.220 124.593 121.223 0.250 0.000 2.046 493 L HA -0.139 4.201 4.340 -0.000 0.000 0.208 493 L C 2.401 179.409 176.870 0.230 0.000 1.077 493 L CA 1.563 56.527 54.840 0.207 0.000 0.747 493 L CB -0.946 41.171 42.059 0.097 0.000 0.896 493 L HN 0.504 nan 8.230 nan 0.000 0.432 494 T N -1.059 113.611 114.554 0.193 0.000 2.701 494 T HA -0.234 4.116 4.350 -0.000 0.000 0.263 494 T C 1.778 176.627 174.700 0.249 0.000 1.040 494 T CA 1.507 63.727 62.100 0.199 0.000 1.147 494 T CB -0.563 68.386 68.868 0.136 0.000 0.865 494 T HN 0.260 nan 8.240 nan 0.000 0.426 495 F N 1.760 121.744 119.950 0.058 0.000 2.202 495 F HA -0.063 4.464 4.527 -0.000 0.000 0.301 495 F C 2.357 178.163 175.800 0.010 0.000 1.082 495 F CA 0.902 58.888 58.000 -0.025 0.000 1.313 495 F CB -0.189 38.739 39.000 -0.121 0.000 1.024 495 F HN 0.149 nan 8.300 nan 0.000 0.495 496 A N -0.375 122.483 122.820 0.062 0.000 1.872 496 A HA -0.209 4.111 4.320 -0.000 0.000 0.214 496 A C 1.971 179.567 177.584 0.021 0.000 1.187 496 A CA 1.383 53.447 52.037 0.044 0.000 0.614 496 A CB -1.583 17.371 19.000 -0.076 0.000 0.826 496 A HN 0.625 nan 8.150 nan 0.000 0.442 497 Y N 1.193 121.522 120.300 0.048 0.000 2.128 497 Y HA -0.257 4.293 4.550 -0.000 0.000 0.284 497 Y C 2.180 177.998 175.900 -0.137 0.000 1.154 497 Y CA 2.398 60.481 58.100 -0.028 0.000 1.149 497 Y CB -0.358 38.205 38.460 0.170 0.000 0.976 497 Y HN 0.485 nan 8.280 nan 0.000 0.505 498 E N -0.128 119.996 120.200 -0.128 0.000 2.085 498 E HA -0.229 4.121 4.350 -0.000 0.000 0.194 498 E C 2.264 178.680 176.600 -0.307 0.000 0.994 498 E CA 1.539 57.801 56.400 -0.231 0.000 0.801 498 E CB -0.165 29.490 29.700 -0.075 0.000 0.743 498 E HN 0.539 nan 8.360 nan 0.000 0.453 499 R N -0.031 120.289 120.500 -0.299 0.000 2.127 499 R HA -0.015 4.325 4.340 -0.000 0.000 0.217 499 R C 2.301 178.505 176.300 -0.160 0.000 1.074 499 R CA 0.349 56.344 56.100 -0.175 0.000 0.991 499 R CB -0.139 30.063 30.300 -0.163 0.000 0.895 499 R HN 0.081 nan 8.270 nan 0.000 0.450 500 L N 1.032 121.980 121.223 -0.458 0.000 2.109 500 L HA -0.090 4.250 4.340 -0.000 0.000 0.207 500 L C 2.172 178.673 176.870 -0.615 0.000 1.086 500 L CA 1.809 56.124 54.840 -0.875 0.000 0.760 500 L CB -0.371 40.837 42.059 -1.418 0.000 0.910 500 L HN 0.125 nan 8.230 nan 0.000 0.437 501 S N -2.289 113.026 115.700 -0.641 0.000 2.406 501 S HA -0.246 4.224 4.470 -0.000 0.000 0.228 501 S C 2.087 176.472 174.600 -0.359 0.000 1.020 501 S CA 1.074 58.935 58.200 -0.566 0.000 0.965 501 S CB -0.880 61.834 63.200 -0.810 0.000 0.798 501 S HN 0.689 nan 8.310 nan 0.000 0.488 502 H N 0.566 119.425 119.070 -0.352 0.000 2.428 502 H HA 0.115 4.671 4.556 -0.000 0.000 0.296 502 H C 1.626 176.854 175.328 -0.167 0.000 1.062 502 H CA 1.522 57.430 56.048 -0.233 0.000 1.350 502 H CB -0.458 29.199 29.762 -0.176 0.000 1.403 502 H HN 0.507 nan 8.280 nan 0.000 0.533 503 F N 0.422 120.195 119.950 -0.296 0.000 2.325 503 F HA -0.027 4.500 4.527 -0.000 0.000 0.299 503 F C 2.587 178.157 175.800 -0.383 0.000 1.090 503 F CA 0.561 58.367 58.000 -0.325 0.000 1.392 503 F CB -0.032 38.771 39.000 -0.328 0.000 1.053 503 F HN 0.035 nan 8.300 nan 0.000 0.521 504 R N 0.169 120.397 120.500 -0.452 0.000 2.075 504 R HA -0.146 4.194 4.340 -0.000 0.000 0.232 504 R C 2.136 178.174 176.300 -0.436 0.000 1.126 504 R CA 1.869 57.685 56.100 -0.474 0.000 0.963 504 R CB -1.295 28.778 30.300 -0.378 0.000 0.858 504 R HN 0.401 nan 8.270 nan 0.000 0.435 505 c N 0.788 119.146 118.600 -0.403 0.000 2.435 505 c HA -0.040 4.530 4.570 -0.000 0.000 0.279 505 c C 2.540 176.401 174.090 -0.382 0.000 1.321 505 c CA 0.922 57.038 56.329 -0.355 0.000 1.752 505 c CB -0.652 41.646 42.510 -0.355 0.000 1.959 505 c HN 0.558 nan 8.230 nan 0.000 0.500 506 E N 1.067 120.977 120.200 -0.484 0.000 2.106 506 E HA -0.101 4.249 4.350 -0.000 0.000 0.192 506 E C 1.974 178.268 176.600 -0.510 0.000 0.984 506 E CA 1.172 57.293 56.400 -0.465 0.000 0.806 506 E CB -0.454 28.977 29.700 -0.450 0.000 0.750 506 E HN 0.582 nan 8.360 nan 0.000 0.458 507 L N -0.265 120.570 121.223 -0.647 0.000 2.046 507 L HA -0.169 4.171 4.340 -0.000 0.000 0.208 507 L C 2.202 178.854 176.870 -0.364 0.000 1.077 507 L CA 0.600 55.075 54.840 -0.608 0.000 0.747 507 L CB -0.403 41.246 42.059 -0.683 0.000 0.896 507 L HN 0.223 nan 8.230 nan 0.000 0.432 508 L N -0.390 120.662 121.223 -0.285 0.000 2.046 508 L HA -0.179 4.161 4.340 -0.000 0.000 0.208 508 L C 2.687 179.508 176.870 -0.082 0.000 1.077 508 L CA 1.574 56.341 54.840 -0.123 0.000 0.747 508 L CB -0.728 41.281 42.059 -0.083 0.000 0.896 508 L HN 0.151 nan 8.230 nan 0.000 0.432 509 R N -0.356 120.049 120.500 -0.158 0.000 2.120 509 R HA -0.109 4.231 4.340 -0.000 0.000 0.234 509 R C 2.030 178.248 176.300 -0.136 0.000 1.123 509 R CA 1.103 57.123 56.100 -0.134 0.000 0.975 509 R CB -0.006 30.195 30.300 -0.164 0.000 0.866 509 R HN 0.295 nan 8.270 nan 0.000 0.446 510 R N -1.248 119.132 120.500 -0.201 0.000 2.313 510 R HA 0.082 4.422 4.340 -0.000 0.000 0.199 510 R C 0.867 177.111 176.300 -0.094 0.000 0.958 510 R CA 0.593 56.573 56.100 -0.201 0.000 1.047 510 R CB 0.602 30.664 30.300 -0.397 0.000 0.955 510 R HN 0.480 nan 8.270 nan 0.000 0.481 511 G N 0.376 109.153 108.800 -0.038 0.000 2.176 511 G HA2 -0.227 3.733 3.960 -0.000 0.000 0.232 511 G HA3 -0.227 3.733 3.960 -0.000 0.000 0.232 511 G C 0.081 175.046 174.900 0.108 0.000 0.986 511 G CA -0.228 44.916 45.100 0.072 0.000 0.643 511 G HN 0.112 nan 8.290 nan 0.000 0.522 512 V N 1.361 121.257 119.914 -0.031 0.000 2.488 512 V HA 0.320 4.440 4.120 -0.000 0.000 0.277 512 V C 1.188 177.137 176.094 -0.242 0.000 1.046 512 V CA 0.416 62.648 62.300 -0.113 0.000 0.986 512 V CB 1.694 33.387 31.823 -0.215 0.000 0.989 512 V HN 0.433 nan 8.190 nan 0.000 0.475 513 Q N 3.663 123.240 119.800 -0.372 0.000 3.179 513 Q HA 0.338 4.678 4.340 -0.000 0.000 0.328 513 Q C 0.394 176.145 176.000 -0.416 0.000 1.336 513 Q CA -0.404 54.907 55.803 -0.818 0.000 0.939 513 Q CB -0.055 28.196 28.738 -0.811 0.000 1.658 513 Q HN 0.916 nan 8.270 nan 0.000 0.486 514 A N 2.336 124.980 122.820 -0.293 0.000 2.409 514 A HA 0.196 4.516 4.320 -0.000 0.000 0.262 514 A C 0.009 177.488 177.584 -0.176 0.000 1.113 514 A CA -0.598 51.348 52.037 -0.152 0.000 0.790 514 A CB 0.357 19.270 19.000 -0.145 0.000 1.046 514 A HN 0.751 nan 8.150 nan 0.000 0.496 515 Q N 3.097 122.827 119.800 -0.118 0.000 2.417 515 Q HA 0.455 4.795 4.340 -0.000 0.000 0.241 515 Q C -2.415 173.527 176.000 -0.097 0.000 1.008 515 Q CA -1.668 54.076 55.803 -0.099 0.000 0.901 515 Q CB 0.230 28.931 28.738 -0.061 0.000 1.259 515 Q HN 0.483 nan 8.270 nan 0.000 0.489 516 P HA -0.037 nan 4.420 nan 0.000 0.272 516 P C -0.087 177.184 177.300 -0.050 0.000 1.223 516 P CA -0.301 62.761 63.100 -0.064 0.000 0.784 516 P CB 0.741 32.429 31.700 -0.020 0.000 0.923 517 L N 1.067 122.255 121.223 -0.058 0.000 2.162 517 L HA 0.155 4.495 4.340 -0.000 0.000 0.205 517 L C 1.230 178.182 176.870 0.136 0.000 1.086 517 L CA 1.930 56.778 54.840 0.013 0.000 0.778 517 L CB -0.897 41.131 42.059 -0.052 0.000 0.928 517 L HN 0.541 nan 8.230 nan 0.000 0.446 518 N N -3.466 115.307 118.700 0.123 0.000 3.496 518 N HA 0.095 4.835 4.740 -0.000 0.000 0.331 518 N C -1.393 174.176 175.510 0.097 0.000 1.532 518 N CA -0.320 52.800 53.050 0.117 0.000 0.863 518 N CB 0.656 39.248 38.487 0.176 0.000 1.927 518 N HN -0.277 nan 8.380 nan 0.000 0.529 519 V N 0.094 120.064 119.914 0.094 0.000 2.811 519 V HA 0.661 4.781 4.120 -0.000 0.000 0.302 519 V C 0.949 177.120 176.094 0.130 0.000 1.063 519 V CA 1.693 64.050 62.300 0.096 0.000 1.088 519 V CB 0.121 31.992 31.823 0.080 0.000 0.982 519 V HN 0.959 nan 8.190 nan 0.000 0.485 520 G N 4.553 113.445 108.800 0.154 0.000 2.403 520 G HA2 0.347 4.307 3.960 -0.000 0.000 0.223 520 G HA3 0.347 4.307 3.960 -0.000 0.000 0.223 520 G C -1.099 174.008 174.900 0.345 0.000 1.287 520 G CA -0.050 45.194 45.100 0.239 0.000 0.982 520 G HN 1.918 nan 8.290 nan 0.000 0.471 521 F N -2.130 117.816 119.950 -0.006 0.000 2.842 521 F HA 0.710 5.237 4.527 -0.000 0.000 0.319 521 F C -1.029 174.750 175.800 -0.035 0.000 1.159 521 F CA -1.717 56.273 58.000 -0.017 0.000 0.902 521 F CB 0.489 39.484 39.000 -0.007 0.000 1.311 521 F HN 0.837 nan 8.300 nan 0.000 0.453 522 c N 2.274 120.812 118.600 -0.104 0.000 2.455 522 c HA 0.441 5.011 4.570 -0.000 0.000 0.320 522 c C 1.454 175.558 174.090 0.023 0.000 1.226 522 c CA -0.480 55.712 56.329 -0.228 0.000 1.569 522 c CB 1.496 43.915 42.510 -0.151 0.000 2.200 522 c HN 0.921 nan 8.230 nan 0.000 0.491 523 E N 0.624 120.815 120.200 -0.015 0.000 2.253 523 E HA -0.228 4.122 4.350 -0.000 0.000 0.202 523 E C 0.656 177.313 176.600 0.096 0.000 1.014 523 E CA 1.427 57.914 56.400 0.145 0.000 0.823 523 E CB 0.100 29.841 29.700 0.068 0.000 0.736 523 E HN 0.754 nan 8.360 nan 0.000 0.478 524 Q N 0.814 120.634 119.800 0.033 0.000 2.347 524 Q HA 0.097 4.437 4.340 -0.000 0.000 0.265 524 Q C -0.579 175.433 176.000 0.021 0.000 1.024 524 Q CA -0.466 55.348 55.803 0.018 0.000 0.731 524 Q CB 1.091 29.820 28.738 -0.014 0.000 1.245 524 Q HN -0.158 nan 8.270 nan 0.000 0.472 525 E N 1.785 122.012 120.200 0.045 0.000 2.605 525 E HA 0.121 4.471 4.350 -0.000 0.000 0.255 525 E C -0.695 175.956 176.600 0.085 0.000 1.369 525 E CA -0.143 56.298 56.400 0.070 0.000 1.017 525 E CB 0.507 30.254 29.700 0.078 0.000 1.086 525 E HN 0.513 nan 8.360 nan 0.000 0.605 526 F N 0.326 120.256 119.950 -0.033 0.000 2.404 526 F HA 0.285 4.812 4.527 -0.000 0.000 0.339 526 F C -0.093 175.692 175.800 -0.025 0.000 1.105 526 F CA -0.198 57.779 58.000 -0.038 0.000 1.087 526 F CB 0.903 39.876 39.000 -0.045 0.000 1.143 526 F HN 0.192 nan 8.300 nan 0.000 0.491 527 E N 4.634 124.267 120.200 -0.944 0.000 2.343 527 E HA 0.357 4.707 4.350 -0.000 0.000 0.278 527 E C -1.363 174.736 176.600 -0.835 0.000 0.910 527 E CA -0.903 55.086 56.400 -0.686 0.000 0.757 527 E CB 2.639 32.156 29.700 -0.305 0.000 1.218 527 E HN 0.675 nan 8.360 nan 0.000 0.435 528 Q N 0.000 119.515 119.800 -0.474 0.000 2.315 528 Q HA 0.000 4.340 4.340 -0.000 0.000 0.214 528 Q CA 0.000 55.643 55.803 -0.267 0.000 1.022 528 Q CB 0.000 28.644 28.738 -0.157 0.000 1.108 528 Q HN 0.000 nan 8.270 nan 0.000 0.481