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 3dpn_1_B DATA FIRST_RESID 33 DATA SEQUENCE SLVCKNALQD LSFLEHLLQV KYAPKTWKEQ YLGWDLVQSS VSAQQKLRTQ DATA SEQUENCE ENPSTSFCQQ VLADFIGGLN DFHAGVTFFA IESAYLPYTV QKSSDGRFYF DATA SEQUENCE VDIMTFSSEI RVGDELLEVD GAPVQDVLAT LYGSNHKGTA AEESAALRTL DATA SEQUENCE FSRMASLGHK VPSGRTTLKI RRPFGTTREV RVKWRYVPEG XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXSLFYS PMVPHFWAEL RNHYATSGLK DATA SEQUENCE SGYNIGSTDG FLPVIGPVIW ESEGLFRAYI SSVTDGDGKS HKVGFLRIPT DATA SEQUENCE YSWQDMEDFD PSGPPPWEEF AKIIQVFSSN TEALIIDQTN NPGGSVLYLY DATA SEQUENCE ALLSMLTDRP LELPKHRMIL TQDEVVDALD WLTLLENVDT NVESRLALGD DATA SEQUENCE NMEGYTVDLQ VAEYLKSFGR QVLNCWSKGD IELSTPIPLF GFEKIHPHPR DATA SEQUENCE VQYSKPICVL INEQDFACAD FFPVVLKDND RALIVGTRTA GAGGFVFNVQ DATA SEQUENCE FPNRTGIKTC SLTGSLAVRE HGAFIENIGV EPHIDLPFTA NDIRYKGYSE DATA SEQUENCE YLDKVKKLVC QLINNDGTII LA 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 33 S HA 0.000 nan 4.470 nan 0.000 0.327 33 S C 0.000 174.618 174.600 0.030 0.000 1.055 33 S CA 0.000 58.217 58.200 0.028 0.000 1.107 33 S CB 0.000 63.222 63.200 0.037 0.000 0.593 34 L N 6.011 127.251 121.223 0.027 0.000 2.167 34 L HA -0.209 4.130 4.340 -0.001 0.000 0.241 34 L C 1.977 178.866 176.870 0.032 0.000 1.123 34 L CA 3.156 58.012 54.840 0.028 0.000 0.849 34 L CB -1.234 40.841 42.059 0.027 0.000 0.947 34 L HN 0.691 nan 8.230 nan 0.000 0.449 35 V N -1.449 118.488 119.914 0.037 0.000 2.548 35 V HA -0.276 3.844 4.120 -0.001 0.000 0.249 35 V C 2.731 178.849 176.094 0.040 0.000 1.055 35 V CA 1.555 63.880 62.300 0.042 0.000 1.065 35 V CB -0.772 31.080 31.823 0.049 0.000 0.681 35 V HN 0.846 nan 8.190 nan 0.000 0.462 36 C N -0.006 119.319 119.300 0.042 0.000 2.422 36 C HA -0.156 4.303 4.460 -0.001 0.000 0.279 36 C C 2.803 177.806 174.990 0.022 0.000 1.305 36 C CA 1.288 60.327 59.018 0.036 0.000 1.757 36 C CB -0.927 26.839 27.740 0.044 0.000 1.962 36 C HN 0.540 nan 8.230 nan 0.000 0.499 37 K N 0.453 120.868 120.400 0.025 0.000 1.985 37 K HA -0.111 4.209 4.320 -0.001 0.000 0.210 37 K C 1.995 178.611 176.600 0.026 0.000 1.047 37 K CA 1.754 58.054 56.287 0.022 0.000 0.932 37 K CB -0.333 32.181 32.500 0.023 0.000 0.716 37 K HN 0.554 nan 8.250 nan 0.000 0.439 38 N N 0.999 119.719 118.700 0.033 0.000 2.007 38 N HA -0.236 4.504 4.740 -0.001 0.000 0.197 38 N C 1.886 177.422 175.510 0.044 0.000 1.050 38 N CA 1.572 54.648 53.050 0.043 0.000 0.856 38 N CB -0.621 37.894 38.487 0.046 0.000 1.050 38 N HN 0.200 nan 8.380 nan 0.000 0.423 39 A N 2.073 124.913 122.820 0.034 0.000 1.906 39 A HA -0.242 4.078 4.320 -0.001 0.000 0.222 39 A C 2.495 180.089 177.584 0.016 0.000 1.282 39 A CA 1.929 53.979 52.037 0.021 0.000 0.675 39 A CB -1.257 17.733 19.000 -0.015 0.000 0.838 39 A HN 0.293 nan 8.150 nan 0.000 0.469 40 L N -1.552 119.672 121.223 0.002 0.000 1.970 40 L HA -0.285 4.054 4.340 -0.001 0.000 0.212 40 L C 2.992 179.874 176.870 0.020 0.000 1.071 40 L CA 1.920 56.755 54.840 -0.008 0.000 0.751 40 L CB -0.709 41.343 42.059 -0.011 0.000 0.889 40 L HN 0.481 nan 8.230 nan 0.000 0.432 41 Q N 0.123 119.945 119.800 0.037 0.000 2.047 41 Q HA -0.278 4.061 4.340 -0.001 0.000 0.211 41 Q C 1.931 177.996 176.000 0.108 0.000 1.005 41 Q CA 2.291 58.130 55.803 0.061 0.000 0.866 41 Q CB -0.421 28.355 28.738 0.062 0.000 0.938 41 Q HN 0.554 nan 8.270 nan 0.000 0.414 42 D N 0.433 120.905 120.400 0.120 0.000 2.144 42 D HA -0.125 4.514 4.640 -0.001 0.000 0.200 42 D C 2.018 178.430 176.300 0.187 0.000 0.978 42 D CA 0.315 54.421 54.000 0.178 0.000 0.833 42 D CB -0.305 40.581 40.800 0.143 0.000 0.961 42 D HN 0.218 nan 8.370 nan 0.000 0.470 43 L N 1.435 122.728 121.223 0.117 0.000 1.925 43 L HA -0.342 3.998 4.340 -0.001 0.000 0.232 43 L C 2.545 179.499 176.870 0.141 0.000 1.089 43 L CA 2.623 57.521 54.840 0.096 0.000 0.806 43 L CB -0.778 41.266 42.059 -0.025 0.000 0.899 43 L HN 0.155 nan 8.230 nan 0.000 0.435 44 S N -0.393 115.352 115.700 0.075 0.000 2.565 44 S HA -0.452 4.018 4.470 -0.001 0.000 0.310 44 S C 1.832 176.519 174.600 0.145 0.000 1.244 44 S CA 2.544 60.791 58.200 0.079 0.000 1.170 44 S CB -1.983 61.239 63.200 0.038 0.000 1.179 44 S HN 0.618 nan 8.310 nan 0.000 0.441 45 F N 2.233 122.161 119.950 -0.037 0.000 2.115 45 F HA -0.152 4.375 4.527 -0.001 0.000 0.300 45 F C 2.292 178.022 175.800 -0.116 0.000 1.092 45 F CA 1.971 59.868 58.000 -0.171 0.000 1.245 45 F CB -0.205 38.601 39.000 -0.324 0.000 0.995 45 F HN 0.219 nan 8.300 nan 0.000 0.481 46 L N -0.051 121.370 121.223 0.329 0.000 2.056 46 L HA -0.221 4.118 4.340 -0.001 0.000 0.207 46 L C 2.410 179.474 176.870 0.322 0.000 1.078 46 L CA 1.780 56.789 54.840 0.282 0.000 0.749 46 L CB -0.918 41.330 42.059 0.315 0.000 0.901 46 L HN 0.202 nan 8.230 nan 0.000 0.433 47 E N -0.577 119.853 120.200 0.383 0.000 2.267 47 E HA -0.295 4.055 4.350 -0.001 0.000 0.197 47 E C 2.121 178.862 176.600 0.234 0.000 0.998 47 E CA 1.049 57.675 56.400 0.377 0.000 0.830 47 E CB 0.011 29.846 29.700 0.226 0.000 0.751 47 E HN 0.526 nan 8.360 nan 0.000 0.491 48 H N 0.867 119.977 119.070 0.065 0.000 2.306 48 H HA -0.042 4.513 4.556 -0.001 0.000 0.307 48 H C 2.237 177.558 175.328 -0.011 0.000 1.061 48 H CA 1.344 57.371 56.048 -0.035 0.000 1.359 48 H CB -0.475 29.158 29.762 -0.215 0.000 1.407 48 H HN 0.204 nan 8.280 nan 0.000 0.517 49 L N 0.664 122.105 121.223 0.363 0.000 2.034 49 L HA -0.275 4.064 4.340 -0.001 0.000 0.217 49 L C 3.115 180.031 176.870 0.076 0.000 1.077 49 L CA 1.405 56.379 54.840 0.223 0.000 0.769 49 L CB -0.674 41.481 42.059 0.162 0.000 0.890 49 L HN 0.242 nan 8.230 nan 0.000 0.435 50 L N -0.913 120.353 121.223 0.073 0.000 2.021 50 L HA -0.330 4.010 4.340 -0.001 0.000 0.215 50 L C 2.787 179.754 176.870 0.163 0.000 1.074 50 L CA 1.647 56.530 54.840 0.071 0.000 0.760 50 L CB -0.610 41.507 42.059 0.098 0.000 0.889 50 L HN 0.417 nan 8.230 nan 0.000 0.433 51 Q N -0.975 118.867 119.800 0.070 0.000 2.124 51 Q HA -0.153 4.187 4.340 -0.001 0.000 0.202 51 Q C 2.078 178.059 176.000 -0.032 0.000 0.977 51 Q CA 1.419 57.233 55.803 0.019 0.000 0.850 51 Q CB -0.053 28.636 28.738 -0.082 0.000 0.901 51 Q HN 0.407 nan 8.270 nan 0.000 0.429 52 V N 1.109 120.948 119.914 -0.125 0.000 2.355 52 V HA -0.137 3.982 4.120 -0.001 0.000 0.224 52 V C 0.656 176.735 176.094 -0.024 0.000 1.073 52 V CA 1.076 63.313 62.300 -0.104 0.000 1.059 52 V CB -0.257 31.477 31.823 -0.149 0.000 0.678 52 V HN 0.211 nan 8.190 nan 0.000 0.479 53 K N 1.295 121.637 120.400 -0.096 0.000 2.278 53 K HA 0.193 4.513 4.320 -0.001 0.000 0.237 53 K C -1.170 175.507 176.600 0.128 0.000 1.229 53 K CA 0.249 56.414 56.287 -0.203 0.000 1.155 53 K CB -0.367 31.603 32.500 -0.884 0.000 1.590 53 K HN 0.503 nan 8.250 nan 0.000 0.290 54 Y N 0.520 120.874 120.300 0.091 0.000 2.412 54 Y HA 0.242 4.792 4.550 -0.001 0.000 0.339 54 Y C 0.689 176.672 175.900 0.138 0.000 1.151 54 Y CA -0.991 57.182 58.100 0.122 0.000 1.355 54 Y CB -0.072 38.414 38.460 0.044 0.000 1.120 54 Y HN 0.364 nan 8.280 nan 0.000 0.529 55 A N 5.829 128.529 122.820 -0.200 0.000 1.891 55 A HA -0.234 4.086 4.320 -0.001 0.000 0.221 55 A C -0.493 176.909 177.584 -0.303 0.000 1.394 55 A CA 2.466 54.394 52.037 -0.182 0.000 0.730 55 A CB -1.916 17.025 19.000 -0.099 0.000 0.845 55 A HN 0.604 nan 8.150 nan 0.000 0.471 56 P HA -0.313 nan 4.420 nan 0.000 0.219 56 P C 1.247 178.519 177.300 -0.046 0.000 1.158 56 P CA 2.181 65.098 63.100 -0.306 0.000 0.895 56 P CB -0.306 31.180 31.700 -0.356 0.000 0.792 57 K N -0.591 119.723 120.400 -0.143 0.000 2.200 57 K HA -0.320 4.000 4.320 -0.001 0.000 0.206 57 K C 1.966 178.740 176.600 0.291 0.000 0.782 57 K CA 3.560 60.011 56.287 0.272 0.000 1.047 57 K CB -1.687 31.004 32.500 0.318 0.000 0.989 57 K HN 0.077 nan 8.250 nan 0.000 0.595 58 T N 0.183 114.902 114.554 0.275 0.000 2.594 58 T HA -0.264 4.086 4.350 -0.001 0.000 0.266 58 T C 1.261 176.169 174.700 0.348 0.000 1.070 58 T CA 1.941 64.233 62.100 0.319 0.000 1.166 58 T CB -0.706 68.390 68.868 0.381 0.000 0.862 58 T HN 0.589 nan 8.240 nan 0.000 0.436 59 W N 2.167 123.534 121.300 0.112 0.000 2.379 59 W HA -0.076 4.583 4.660 -0.001 0.000 0.307 59 W C 1.576 178.063 176.519 -0.054 0.000 1.200 59 W CA 0.891 58.120 57.345 -0.193 0.000 1.297 59 W CB -0.451 28.495 29.460 -0.857 0.000 1.140 59 W HN 0.067 nan 8.180 nan 0.000 0.507 60 K N 1.196 121.606 120.400 0.016 0.000 2.286 60 K HA -0.176 4.144 4.320 -0.001 0.000 0.203 60 K C 0.424 177.008 176.600 -0.026 0.000 1.045 60 K CA 1.272 57.518 56.287 -0.069 0.000 0.935 60 K CB -0.608 31.953 32.500 0.102 0.000 0.737 60 K HN 0.447 nan 8.250 nan 0.000 0.460 61 E N 0.934 121.169 120.200 0.057 0.000 2.201 61 E HA 0.047 4.397 4.350 -0.001 0.000 0.272 61 E C 0.801 177.377 176.600 -0.040 0.000 1.228 61 E CA -0.206 56.241 56.400 0.079 0.000 1.305 61 E CB 0.460 30.256 29.700 0.161 0.000 1.381 61 E HN 0.191 nan 8.360 nan 0.000 0.475 62 Q N 0.194 119.885 119.800 -0.182 0.000 1.539 62 Q HA -0.127 4.212 4.340 -0.001 0.000 0.144 62 Q C 0.792 176.622 176.000 -0.284 0.000 0.491 62 Q CA -0.225 55.444 55.803 -0.223 0.000 0.823 62 Q CB -0.454 28.107 28.738 -0.295 0.000 0.867 62 Q HN 0.380 nan 8.270 nan 0.000 0.182 63 Y N 2.483 122.337 120.300 -0.743 0.000 2.014 63 Y HA -0.226 4.324 4.550 -0.001 0.000 0.272 63 Y C 2.143 177.849 175.900 -0.322 0.000 1.164 63 Y CA 2.665 60.406 58.100 -0.598 0.000 1.114 63 Y CB -0.653 37.266 38.460 -0.902 0.000 0.961 63 Y HN 0.303 nan 8.280 nan 0.000 0.489 64 L N -1.448 119.596 121.223 -0.298 0.000 1.960 64 L HA 0.052 4.392 4.340 -0.001 0.000 0.209 64 L C 1.960 178.757 176.870 -0.121 0.000 1.090 64 L CA 1.474 56.180 54.840 -0.224 0.000 0.759 64 L CB -0.778 41.245 42.059 -0.061 0.000 0.892 64 L HN 0.529 nan 8.230 nan 0.000 0.436 65 G N -2.427 106.357 108.800 -0.027 0.000 2.164 65 G HA2 -0.226 3.734 3.960 -0.001 0.000 0.154 65 G HA3 -0.226 3.734 3.960 -0.001 0.000 0.154 65 G C -0.280 174.672 174.900 0.087 0.000 1.014 65 G CA -0.302 44.799 45.100 0.002 0.000 0.683 65 G HN 0.222 nan 8.290 nan 0.000 0.500 66 W N 1.597 122.862 121.300 -0.058 0.000 2.470 66 W HA 0.378 5.037 4.660 -0.001 0.000 0.341 66 W C 0.071 176.593 176.519 0.006 0.000 1.199 66 W CA 1.397 58.733 57.345 -0.016 0.000 1.339 66 W CB 0.612 30.072 29.460 -0.001 0.000 1.178 66 W HN 0.207 nan 8.180 nan 0.000 0.578 67 D N 5.375 125.351 120.400 -0.707 0.000 2.429 67 D HA 0.005 4.645 4.640 -0.001 0.000 0.255 67 D C 0.768 176.496 176.300 -0.952 0.000 1.257 67 D CA -0.457 53.150 54.000 -0.655 0.000 0.890 67 D CB 0.075 40.696 40.800 -0.299 0.000 1.267 67 D HN 0.303 nan 8.370 nan 0.000 0.521 68 L N 2.856 123.127 121.223 -1.586 0.000 2.113 68 L HA -0.263 4.077 4.340 -0.001 0.000 0.221 68 L C 1.253 177.904 176.870 -0.365 0.000 1.084 68 L CA 2.098 56.328 54.840 -1.016 0.000 0.787 68 L CB -0.821 40.872 42.059 -0.609 0.000 0.893 68 L HN 0.346 nan 8.230 nan 0.000 0.440 69 V N 0.138 119.868 119.914 -0.306 0.000 2.218 69 V HA -0.386 3.733 4.120 -0.001 0.000 0.251 69 V C 2.654 178.656 176.094 -0.154 0.000 1.057 69 V CA 2.562 64.758 62.300 -0.172 0.000 1.022 69 V CB -1.199 30.538 31.823 -0.143 0.000 0.645 69 V HN 0.816 nan 8.190 nan 0.000 0.451 70 Q N -0.238 119.462 119.800 -0.167 0.000 2.389 70 Q HA -0.053 4.286 4.340 -0.001 0.000 0.204 70 Q C 2.060 177.992 176.000 -0.114 0.000 0.944 70 Q CA 1.715 57.444 55.803 -0.123 0.000 0.908 70 Q CB -0.164 28.514 28.738 -0.100 0.000 1.002 70 Q HN 0.620 nan 8.270 nan 0.000 0.493 71 S N 0.753 116.366 115.700 -0.144 0.000 2.383 71 S HA -0.118 4.352 4.470 -0.001 0.000 0.227 71 S C 1.895 176.468 174.600 -0.046 0.000 1.026 71 S CA 1.207 59.399 58.200 -0.014 0.000 0.981 71 S CB -0.249 62.985 63.200 0.057 0.000 0.818 71 S HN 0.582 nan 8.310 nan 0.000 0.472 72 S N 1.048 116.668 115.700 -0.134 0.000 2.368 72 S HA -0.103 4.367 4.470 -0.001 0.000 0.225 72 S C 1.902 176.345 174.600 -0.263 0.000 1.030 72 S CA 1.350 59.344 58.200 -0.342 0.000 0.999 72 S CB -0.464 62.621 63.200 -0.192 0.000 0.844 72 S HN 0.283 nan 8.310 nan 0.000 0.459 73 V N 1.223 121.044 119.914 -0.155 0.000 2.220 73 V HA -0.173 3.946 4.120 -0.001 0.000 0.246 73 V C 2.712 178.745 176.094 -0.101 0.000 1.049 73 V CA 2.269 64.502 62.300 -0.112 0.000 1.003 73 V CB -1.378 30.398 31.823 -0.080 0.000 0.634 73 V HN 0.680 nan 8.190 nan 0.000 0.444 74 S N -0.401 115.254 115.700 -0.075 0.000 2.406 74 S HA -0.374 4.095 4.470 -0.001 0.000 0.242 74 S C 2.051 176.616 174.600 -0.058 0.000 1.079 74 S CA 2.507 60.682 58.200 -0.041 0.000 1.133 74 S CB -0.558 62.640 63.200 -0.003 0.000 1.005 74 S HN 0.701 nan 8.310 nan 0.000 0.443 75 A N 0.410 123.160 122.820 -0.117 0.000 1.902 75 A HA -0.126 4.193 4.320 -0.001 0.000 0.217 75 A C 2.139 179.640 177.584 -0.140 0.000 1.181 75 A CA 1.694 53.642 52.037 -0.147 0.000 0.623 75 A CB -0.839 17.995 19.000 -0.276 0.000 0.818 75 A HN 0.737 nan 8.150 nan 0.000 0.443 76 Q N -0.687 119.023 119.800 -0.149 0.000 2.045 76 Q HA -0.250 4.090 4.340 -0.001 0.000 0.206 76 Q C 2.316 178.278 176.000 -0.063 0.000 0.991 76 Q CA 1.664 57.404 55.803 -0.105 0.000 0.851 76 Q CB -0.268 28.412 28.738 -0.096 0.000 0.911 76 Q HN 0.659 nan 8.270 nan 0.000 0.418 77 Q N 1.052 120.822 119.800 -0.050 0.000 1.800 77 Q HA -0.235 4.105 4.340 -0.001 0.000 0.292 77 Q C 1.929 177.931 176.000 0.003 0.000 1.027 77 Q CA 1.616 57.409 55.803 -0.017 0.000 0.890 77 Q CB -0.685 28.047 28.738 -0.009 0.000 0.968 77 Q HN 0.348 nan 8.270 nan 0.000 0.415 78 K N 0.292 120.699 120.400 0.012 0.000 2.206 78 K HA -0.228 4.091 4.320 -0.001 0.000 0.211 78 K C 2.257 178.888 176.600 0.052 0.000 1.047 78 K CA 1.688 58.009 56.287 0.056 0.000 0.933 78 K CB -0.442 32.072 32.500 0.022 0.000 0.721 78 K HN 0.158 nan 8.250 nan 0.000 0.471 79 L N 0.003 121.203 121.223 -0.037 0.000 2.068 79 L HA -0.097 4.242 4.340 -0.001 0.000 0.204 79 L C 2.446 179.340 176.870 0.041 0.000 1.076 79 L CA 1.096 55.913 54.840 -0.039 0.000 0.753 79 L CB -0.211 41.792 42.059 -0.093 0.000 0.910 79 L HN 0.078 nan 8.230 nan 0.000 0.439 80 R N -0.861 119.653 120.500 0.023 0.000 2.153 80 R HA -0.041 4.299 4.340 -0.001 0.000 0.218 80 R C 2.121 178.451 176.300 0.051 0.000 1.072 80 R CA 1.311 57.430 56.100 0.032 0.000 0.990 80 R CB -0.563 29.744 30.300 0.011 0.000 0.889 80 R HN 0.274 nan 8.270 nan 0.000 0.452 81 T N 1.229 115.820 114.554 0.062 0.000 2.869 81 T HA -0.119 4.230 4.350 -0.001 0.000 0.270 81 T C 0.882 175.629 174.700 0.079 0.000 1.082 81 T CA 1.151 63.291 62.100 0.067 0.000 1.123 81 T CB -0.055 68.860 68.868 0.078 0.000 0.856 81 T HN 0.135 nan 8.240 nan 0.000 0.499 82 Q N 0.717 120.590 119.800 0.122 0.000 2.299 82 Q HA 0.255 4.595 4.340 -0.001 0.000 0.246 82 Q C 1.141 177.177 176.000 0.059 0.000 0.935 82 Q CA 0.039 55.902 55.803 0.100 0.000 0.887 82 Q CB 1.162 30.015 28.738 0.191 0.000 1.223 82 Q HN 0.436 nan 8.270 nan 0.000 0.439 83 E N 1.140 121.355 120.200 0.025 0.000 2.042 83 E HA -0.031 4.319 4.350 -0.001 0.000 0.189 83 E C 0.122 176.734 176.600 0.022 0.000 0.974 83 E CA 0.456 56.866 56.400 0.017 0.000 0.806 83 E CB 0.367 30.068 29.700 0.001 0.000 0.769 83 E HN 0.501 nan 8.360 nan 0.000 0.451 84 N N 1.046 119.754 118.700 0.014 0.000 2.685 84 N HA 0.155 4.894 4.740 -0.001 0.000 0.252 84 N C -2.724 172.800 175.510 0.023 0.000 1.261 84 N CA -0.994 52.068 53.050 0.021 0.000 0.768 84 N CB 1.167 39.658 38.487 0.007 0.000 1.304 84 N HN -0.037 nan 8.380 nan 0.000 0.536 85 P HA 0.190 nan 4.420 nan 0.000 0.281 85 P C -0.645 176.729 177.300 0.123 0.000 1.249 85 P CA -0.272 62.914 63.100 0.143 0.000 0.810 85 P CB 1.880 33.798 31.700 0.364 0.000 1.008 86 S N -0.306 115.471 115.700 0.129 0.000 2.608 86 S HA 0.285 4.754 4.470 -0.001 0.000 0.291 86 S C 1.425 176.101 174.600 0.126 0.000 1.146 86 S CA -0.319 57.938 58.200 0.094 0.000 1.043 86 S CB 0.436 63.669 63.200 0.054 0.000 1.037 86 S HN 0.511 nan 8.310 nan 0.000 0.520 87 T N 3.006 117.605 114.554 0.075 0.000 2.592 87 T HA -0.227 4.123 4.350 -0.001 0.000 0.267 87 T C 2.159 176.873 174.700 0.023 0.000 1.060 87 T CA 2.294 64.424 62.100 0.050 0.000 1.167 87 T CB -1.157 67.732 68.868 0.036 0.000 0.863 87 T HN 0.897 nan 8.240 nan 0.000 0.431 88 S N 1.696 117.403 115.700 0.012 0.000 2.413 88 S HA -0.222 4.248 4.470 -0.001 0.000 0.237 88 S C 1.757 176.375 174.600 0.030 0.000 1.044 88 S CA 1.385 59.563 58.200 -0.036 0.000 1.024 88 S CB -0.994 62.204 63.200 -0.004 0.000 0.829 88 S HN 0.416 nan 8.310 nan 0.000 0.475 89 F N 2.353 122.264 119.950 -0.066 0.000 2.084 89 F HA -0.034 4.492 4.527 -0.001 0.000 0.296 89 F C 2.581 178.358 175.800 -0.038 0.000 1.111 89 F CA 0.319 58.292 58.000 -0.045 0.000 1.224 89 F CB -1.257 37.731 39.000 -0.020 0.000 0.991 89 F HN 0.327 nan 8.300 nan 0.000 0.471 90 C N 0.936 120.133 119.300 -0.171 0.000 2.413 90 C HA -0.239 4.221 4.460 -0.001 0.000 0.276 90 C C 2.717 177.617 174.990 -0.149 0.000 1.236 90 C CA 1.224 60.095 59.018 -0.245 0.000 1.735 90 C CB -1.494 26.200 27.740 -0.077 0.000 2.031 90 C HN 0.544 nan 8.230 nan 0.000 0.474 91 Q N 0.541 120.256 119.800 -0.141 0.000 2.062 91 Q HA -0.329 4.011 4.340 -0.001 0.000 0.209 91 Q C 2.258 178.101 176.000 -0.261 0.000 0.996 91 Q CA 2.043 57.647 55.803 -0.332 0.000 0.859 91 Q CB -0.380 27.741 28.738 -1.030 0.000 0.920 91 Q HN 0.735 nan 8.270 nan 0.000 0.415 92 Q N -0.085 119.575 119.800 -0.234 0.000 2.014 92 Q HA -0.185 4.154 4.340 -0.001 0.000 0.207 92 Q C 2.309 178.286 176.000 -0.039 0.000 0.993 92 Q CA 2.124 57.867 55.803 -0.099 0.000 0.850 92 Q CB -0.272 28.472 28.738 0.011 0.000 0.916 92 Q HN 0.262 nan 8.270 nan 0.000 0.417 93 V N 1.203 121.018 119.914 -0.166 0.000 2.252 93 V HA -0.326 3.794 4.120 -0.001 0.000 0.249 93 V C 2.279 178.398 176.094 0.042 0.000 1.056 93 V CA 1.940 64.158 62.300 -0.136 0.000 1.022 93 V CB -1.013 30.619 31.823 -0.320 0.000 0.641 93 V HN 0.342 nan 8.190 nan 0.000 0.445 94 L N 0.402 121.679 121.223 0.090 0.000 1.956 94 L HA -0.257 4.082 4.340 -0.001 0.000 0.216 94 L C 2.897 179.940 176.870 0.288 0.000 1.073 94 L CA 2.069 57.046 54.840 0.228 0.000 0.762 94 L CB -1.144 41.081 42.059 0.276 0.000 0.889 94 L HN 0.389 nan 8.230 nan 0.000 0.433 95 A N -0.037 122.979 122.820 0.327 0.000 1.903 95 A HA -0.315 4.004 4.320 -0.001 0.000 0.219 95 A C 1.876 179.567 177.584 0.179 0.000 1.191 95 A CA 2.499 54.694 52.037 0.263 0.000 0.638 95 A CB -0.912 18.279 19.000 0.319 0.000 0.823 95 A HN 0.460 nan 8.150 nan 0.000 0.451 96 D N -1.696 118.806 120.400 0.170 0.000 2.221 96 D HA -0.128 4.512 4.640 -0.001 0.000 0.204 96 D C 1.470 177.902 176.300 0.219 0.000 0.982 96 D CA 1.255 55.351 54.000 0.160 0.000 0.857 96 D CB -0.218 40.662 40.800 0.133 0.000 0.934 96 D HN 0.469 nan 8.370 nan 0.000 0.475 97 F N 1.213 121.205 119.950 0.070 0.000 2.031 97 F HA -0.144 4.383 4.527 -0.001 0.000 0.295 97 F C 1.943 177.794 175.800 0.085 0.000 1.133 97 F CA 1.038 59.092 58.000 0.089 0.000 1.188 97 F CB -0.532 38.516 39.000 0.079 0.000 0.974 97 F HN -0.121 nan 8.300 nan 0.000 0.473 98 I N 1.055 121.495 120.570 -0.218 0.000 2.208 98 I HA -0.225 3.944 4.170 -0.001 0.000 0.245 98 I C 2.754 178.683 176.117 -0.313 0.000 1.097 98 I CA 1.585 62.628 61.300 -0.429 0.000 1.363 98 I CB -2.430 35.403 38.000 -0.278 0.000 1.051 98 I HN 0.339 nan 8.210 nan 0.000 0.413 99 G N 0.532 109.257 108.800 -0.125 0.000 2.509 99 G HA2 -0.125 3.834 3.960 -0.001 0.000 0.218 99 G HA3 -0.125 3.834 3.960 -0.001 0.000 0.218 99 G C 1.672 176.523 174.900 -0.081 0.000 1.124 99 G CA 0.683 45.733 45.100 -0.085 0.000 0.776 99 G HN 0.504 nan 8.290 nan 0.000 0.547 100 G N 0.614 109.387 108.800 -0.044 0.000 2.535 100 G HA2 -0.086 3.873 3.960 -0.001 0.000 0.218 100 G HA3 -0.086 3.873 3.960 -0.001 0.000 0.218 100 G C 1.562 176.372 174.900 -0.150 0.000 1.122 100 G CA 0.166 45.288 45.100 0.038 0.000 0.769 100 G HN 0.458 nan 8.290 nan 0.000 0.549 101 L N -0.541 120.447 121.223 -0.391 0.000 2.478 101 L HA 0.094 4.434 4.340 -0.001 0.000 0.223 101 L C 1.395 178.104 176.870 -0.268 0.000 1.140 101 L CA 0.186 54.686 54.840 -0.568 0.000 0.842 101 L CB -0.240 41.394 42.059 -0.707 0.000 0.953 101 L HN 0.343 nan 8.230 nan 0.000 0.452 102 N N 0.381 118.963 118.700 -0.197 0.000 2.714 102 N HA -0.221 4.518 4.740 -0.001 0.000 0.250 102 N C -0.259 175.112 175.510 -0.233 0.000 1.117 102 N CA 0.492 53.438 53.050 -0.173 0.000 0.719 102 N CB -0.548 37.901 38.487 -0.063 0.000 1.081 102 N HN 0.340 nan 8.380 nan 0.000 0.557 103 D N -0.558 119.712 120.400 -0.216 0.000 2.408 103 D HA 0.149 4.789 4.640 -0.001 0.000 0.243 103 D C 0.818 177.048 176.300 -0.116 0.000 1.075 103 D CA -0.520 53.416 54.000 -0.106 0.000 0.832 103 D CB 0.504 41.341 40.800 0.062 0.000 1.162 103 D HN -0.002 nan 8.370 nan 0.000 0.515 104 F N 1.754 121.785 119.950 0.136 0.000 2.373 104 F HA -0.149 4.377 4.527 -0.001 0.000 0.300 104 F C 1.760 177.613 175.800 0.088 0.000 1.080 104 F CA 0.996 59.052 58.000 0.093 0.000 1.417 104 F CB 0.036 39.120 39.000 0.139 0.000 1.070 104 F HN 0.535 nan 8.300 nan 0.000 0.546 105 H N -0.987 118.182 119.070 0.164 0.000 2.520 105 H HA 0.352 4.907 4.556 -0.001 0.000 0.279 105 H C 1.062 176.351 175.328 -0.065 0.000 0.990 105 H CA 0.269 56.381 56.048 0.108 0.000 1.288 105 H CB -0.188 29.653 29.762 0.130 0.000 1.446 105 H HN 0.033 nan 8.280 nan 0.000 0.538 106 A N 0.983 123.797 122.820 -0.011 0.000 2.354 106 A HA 0.602 4.922 4.320 -0.001 0.000 0.281 106 A C 0.654 177.923 177.584 -0.526 0.000 1.174 106 A CA 0.551 52.461 52.037 -0.212 0.000 0.828 106 A CB -0.234 18.622 19.000 -0.239 0.000 1.099 106 A HN 0.473 nan 8.150 nan 0.000 0.516 107 G N 0.388 108.821 108.800 -0.613 0.000 2.451 107 G HA2 0.531 4.491 3.960 -0.001 0.000 0.292 107 G HA3 0.531 4.491 3.960 -0.001 0.000 0.292 107 G C -1.341 173.390 174.900 -0.282 0.000 1.427 107 G CA -0.200 44.481 45.100 -0.698 0.000 0.792 107 G HN 0.988 nan 8.290 nan 0.000 0.498 108 V N -0.297 119.593 119.914 -0.040 0.000 3.166 108 V HA 0.957 5.077 4.120 -0.001 0.000 0.317 108 V C 0.263 176.333 176.094 -0.039 0.000 1.136 108 V CA -0.164 62.064 62.300 -0.120 0.000 1.035 108 V CB 2.010 33.691 31.823 -0.237 0.000 1.110 108 V HN 1.500 nan 8.190 nan 0.000 0.450 109 T N -0.750 113.609 114.554 -0.326 0.000 3.097 109 T HA 0.740 5.089 4.350 -0.001 0.000 0.332 109 T C -1.398 173.057 174.700 -0.407 0.000 1.269 109 T CA -0.424 61.595 62.100 -0.136 0.000 1.076 109 T CB 1.200 70.039 68.868 -0.049 0.000 1.209 109 T HN 0.231 nan 8.240 nan 0.000 0.474 110 F N 0.764 120.617 119.950 -0.163 0.000 2.579 110 F HA 0.641 5.167 4.527 -0.001 0.000 0.324 110 F C -0.091 175.626 175.800 -0.137 0.000 1.058 110 F CA -2.270 55.575 58.000 -0.257 0.000 0.944 110 F CB 1.170 40.073 39.000 -0.162 0.000 1.245 110 F HN 0.609 nan 8.300 nan 0.000 0.477 111 F N 2.053 122.083 119.950 0.133 0.000 2.487 111 F HA 0.485 5.011 4.527 -0.001 0.000 0.364 111 F C 0.447 176.283 175.800 0.060 0.000 1.126 111 F CA -0.069 57.964 58.000 0.054 0.000 1.135 111 F CB -0.133 38.875 39.000 0.015 0.000 1.127 111 F HN 0.549 nan 8.300 nan 0.000 0.559 112 A N 4.066 127.015 122.820 0.214 0.000 2.560 112 A HA 0.483 4.802 4.320 -0.001 0.000 0.300 112 A C -0.086 177.530 177.584 0.054 0.000 1.062 112 A CA -0.786 51.315 52.037 0.105 0.000 0.767 112 A CB 0.774 19.814 19.000 0.066 0.000 1.288 112 A HN 0.423 nan 8.150 nan 0.000 0.396 113 I N 0.626 121.203 120.570 0.011 0.000 2.641 113 I HA 0.121 4.291 4.170 -0.001 0.000 0.232 113 I C 1.167 177.242 176.117 -0.070 0.000 1.060 113 I CA 0.779 62.063 61.300 -0.027 0.000 1.417 113 I CB -1.624 36.346 38.000 -0.049 0.000 1.227 113 I HN 1.012 nan 8.210 nan 0.000 0.434 114 E N 2.698 122.819 120.200 -0.132 0.000 1.268 114 E HA -0.211 4.139 4.350 -0.001 0.000 0.362 114 E C -0.676 175.798 176.600 -0.209 0.000 0.598 114 E CA 0.466 56.714 56.400 -0.252 0.000 1.365 114 E CB 0.083 29.698 29.700 -0.141 0.000 0.354 114 E HN 0.591 nan 8.360 nan 0.000 0.382 115 S N 2.261 117.776 115.700 -0.310 0.000 2.533 115 S HA 0.741 5.210 4.470 -0.001 0.000 0.271 115 S C -0.689 173.857 174.600 -0.091 0.000 1.143 115 S CA -0.585 57.541 58.200 -0.122 0.000 0.891 115 S CB 1.991 65.199 63.200 0.014 0.000 1.105 115 S HN 0.747 nan 8.310 nan 0.000 0.468 116 A N 1.943 124.737 122.820 -0.044 0.000 2.306 116 A HA 0.816 5.136 4.320 -0.001 0.000 0.314 116 A C -1.111 176.673 177.584 0.333 0.000 1.164 116 A CA -0.625 51.379 52.037 -0.055 0.000 0.822 116 A CB 0.620 19.206 19.000 -0.691 0.000 1.130 116 A HN 1.517 nan 8.150 nan 0.000 0.496 117 Y N 1.415 121.999 120.300 0.474 0.000 2.441 117 Y HA 0.621 5.171 4.550 -0.001 0.000 0.334 117 Y C -1.947 174.313 175.900 0.600 0.000 1.061 117 Y CA -1.400 57.008 58.100 0.514 0.000 1.032 117 Y CB 1.448 40.079 38.460 0.285 0.000 1.266 117 Y HN 0.559 nan 8.280 nan 0.000 0.441 118 L N 8.753 130.187 121.223 0.351 0.000 2.504 118 L HA 0.376 4.716 4.340 -0.001 0.000 0.265 118 L C -2.167 174.684 176.870 -0.032 0.000 0.975 118 L CA -1.843 53.007 54.840 0.016 0.000 0.864 118 L CB 2.933 44.984 42.059 -0.012 0.000 1.212 118 L HN 0.526 nan 8.230 nan 0.000 0.416 119 P HA -0.099 nan 4.420 nan 0.000 0.314 119 P C -0.929 175.975 177.300 -0.660 0.000 1.521 119 P CA 0.845 63.663 63.100 -0.470 0.000 0.754 119 P CB -0.553 30.772 31.700 -0.625 0.000 1.692 120 Y N -1.113 118.988 120.300 -0.332 0.000 2.630 120 Y HA 0.638 5.188 4.550 -0.001 0.000 0.337 120 Y C 0.758 176.497 175.900 -0.269 0.000 1.051 120 Y CA -0.945 56.971 58.100 -0.307 0.000 1.121 120 Y CB 1.367 39.527 38.460 -0.500 0.000 1.299 120 Y HN -0.323 nan 8.280 nan 0.000 0.498 121 T N 1.234 115.761 114.554 -0.045 0.000 3.548 121 T HA 0.466 4.815 4.350 -0.001 0.000 0.329 121 T C -1.078 173.537 174.700 -0.141 0.000 0.960 121 T CA -0.621 61.440 62.100 -0.065 0.000 1.041 121 T CB 0.721 69.543 68.868 -0.076 0.000 1.065 121 T HN 0.361 nan 8.240 nan 0.000 0.459 122 V N 2.630 122.472 119.914 -0.122 0.000 3.109 122 V HA 0.705 4.824 4.120 -0.001 0.000 0.317 122 V C -0.025 176.041 176.094 -0.047 0.000 1.074 122 V CA -0.783 61.428 62.300 -0.149 0.000 1.033 122 V CB 1.905 33.645 31.823 -0.138 0.000 1.111 122 V HN 0.873 nan 8.190 nan 0.000 0.458 123 Q N 1.598 121.394 119.800 -0.006 0.000 2.334 123 Q HA 0.298 4.638 4.340 -0.001 0.000 0.249 123 Q C -0.848 175.144 176.000 -0.014 0.000 0.909 123 Q CA -0.616 55.205 55.803 0.030 0.000 0.823 123 Q CB 1.525 30.294 28.738 0.052 0.000 1.353 123 Q HN 0.762 nan 8.270 nan 0.000 0.433 124 K N 2.283 122.600 120.400 -0.138 0.000 2.489 124 K HA 0.112 4.431 4.320 -0.001 0.000 0.278 124 K C -0.009 176.475 176.600 -0.193 0.000 1.000 124 K CA 0.400 56.402 56.287 -0.474 0.000 1.012 124 K CB 0.590 32.726 32.500 -0.606 0.000 0.903 124 K HN 0.725 nan 8.250 nan 0.000 0.485 125 S N 2.056 117.621 115.700 -0.225 0.000 2.632 125 S HA 0.041 4.510 4.470 -0.001 0.000 0.267 125 S C 1.183 175.767 174.600 -0.027 0.000 1.193 125 S CA -0.126 58.062 58.200 -0.020 0.000 1.003 125 S CB 1.267 64.484 63.200 0.028 0.000 1.073 125 S HN 0.692 nan 8.310 nan 0.000 0.553 126 S N 0.725 116.448 115.700 0.040 0.000 2.362 126 S HA -0.082 4.387 4.470 -0.001 0.000 0.221 126 S C 1.045 175.651 174.600 0.010 0.000 1.032 126 S CA 1.221 59.442 58.200 0.036 0.000 0.973 126 S CB -1.228 62.013 63.200 0.068 0.000 0.849 126 S HN 0.842 nan 8.310 nan 0.000 0.465 127 D N 0.154 120.561 120.400 0.012 0.000 2.332 127 D HA 0.264 4.903 4.640 -0.001 0.000 0.244 127 D C 1.134 177.420 176.300 -0.023 0.000 1.136 127 D CA 0.678 54.683 54.000 0.008 0.000 0.884 127 D CB -0.952 39.864 40.800 0.027 0.000 0.906 127 D HN 0.506 nan 8.370 nan 0.000 0.520 128 G N 0.184 108.937 108.800 -0.080 0.000 2.137 128 G HA2 -0.331 3.628 3.960 -0.001 0.000 0.237 128 G HA3 -0.331 3.628 3.960 -0.001 0.000 0.237 128 G C 0.051 174.824 174.900 -0.211 0.000 1.002 128 G CA -0.352 44.668 45.100 -0.133 0.000 0.702 128 G HN 0.452 nan 8.290 nan 0.000 0.515 129 R N -0.855 119.460 120.500 -0.307 0.000 2.346 129 R HA 0.582 4.922 4.340 -0.001 0.000 0.311 129 R C -0.570 175.355 176.300 -0.624 0.000 0.983 129 R CA -0.733 55.133 56.100 -0.390 0.000 0.880 129 R CB 0.583 30.574 30.300 -0.515 0.000 1.100 129 R HN 0.072 nan 8.270 nan 0.000 0.453 130 F N 3.704 123.437 119.950 -0.362 0.000 2.375 130 F HA 0.280 4.807 4.527 -0.001 0.000 0.362 130 F C -0.179 175.440 175.800 -0.302 0.000 1.129 130 F CA -0.375 57.469 58.000 -0.261 0.000 1.154 130 F CB 0.331 39.228 39.000 -0.171 0.000 1.205 130 F HN 0.356 nan 8.300 nan 0.000 0.513 131 Y N 2.247 122.571 120.300 0.041 0.000 2.361 131 Y HA 0.431 4.981 4.550 -0.001 0.000 0.332 131 Y C -0.086 175.821 175.900 0.012 0.000 1.101 131 Y CA -1.212 56.923 58.100 0.059 0.000 1.137 131 Y CB 1.060 39.524 38.460 0.007 0.000 1.207 131 Y HN 0.304 nan 8.280 nan 0.000 0.463 132 F N 1.967 122.027 119.950 0.184 0.000 2.495 132 F HA 0.181 4.708 4.527 -0.001 0.000 0.365 132 F C 0.892 176.680 175.800 -0.020 0.000 1.090 132 F CA -0.191 57.847 58.000 0.063 0.000 1.235 132 F CB 0.694 39.731 39.000 0.061 0.000 1.119 132 F HN 0.319 nan 8.300 nan 0.000 0.562 133 V N -1.389 118.512 119.914 -0.021 0.000 3.330 133 V HA 0.423 4.542 4.120 -0.001 0.000 0.309 133 V C -0.832 175.119 176.094 -0.238 0.000 1.481 133 V CA -0.272 61.900 62.300 -0.215 0.000 1.068 133 V CB 0.073 31.526 31.823 -0.617 0.000 0.935 133 V HN 0.738 nan 8.190 nan 0.000 0.453 134 D N 0.114 120.461 120.400 -0.089 0.000 2.625 134 D HA 0.418 5.057 4.640 -0.001 0.000 0.203 134 D C -1.563 174.718 176.300 -0.031 0.000 1.230 134 D CA -0.264 53.714 54.000 -0.037 0.000 0.784 134 D CB 1.552 42.332 40.800 -0.033 0.000 1.936 134 D HN 0.021 nan 8.370 nan 0.000 0.522 135 I N 4.256 124.794 120.570 -0.053 0.000 2.441 135 I HA 0.403 4.573 4.170 -0.001 0.000 0.295 135 I C 0.733 176.757 176.117 -0.156 0.000 0.994 135 I CA -0.520 60.681 61.300 -0.165 0.000 1.144 135 I CB 1.539 39.452 38.000 -0.145 0.000 1.314 135 I HN 0.660 nan 8.210 nan 0.000 0.445 136 M N 2.148 121.601 119.600 -0.243 0.000 2.363 136 M HA 0.085 4.564 4.480 -0.001 0.000 0.243 136 M C 1.454 177.680 176.300 -0.123 0.000 1.364 136 M CA 0.409 55.624 55.300 -0.142 0.000 1.104 136 M CB 0.173 32.716 32.600 -0.095 0.000 1.570 136 M HN 0.484 nan 8.290 nan 0.000 0.564 137 T N 0.649 115.058 114.554 -0.242 0.000 3.129 137 T HA 0.182 4.532 4.350 -0.001 0.000 0.251 137 T C -0.101 174.569 174.700 -0.049 0.000 1.117 137 T CA 0.661 62.627 62.100 -0.223 0.000 1.034 137 T CB 0.073 68.645 68.868 -0.493 0.000 0.968 137 T HN -0.017 nan 8.240 nan 0.000 0.526 138 F N -0.281 119.548 119.950 -0.201 0.000 3.124 138 F HA 0.605 5.132 4.527 -0.001 0.000 0.280 138 F C 1.365 177.102 175.800 -0.106 0.000 1.519 138 F CA -1.377 56.531 58.000 -0.154 0.000 0.994 138 F CB 1.014 39.899 39.000 -0.192 0.000 1.823 138 F HN -0.132 nan 8.300 nan 0.000 0.390 139 S N -1.172 114.410 115.700 -0.197 0.000 5.436 139 S HA 0.128 4.597 4.470 -0.001 0.000 0.141 139 S C 0.088 174.436 174.600 -0.420 0.000 1.082 139 S CA 0.388 58.333 58.200 -0.425 0.000 1.393 139 S CB -0.349 62.433 63.200 -0.697 0.000 2.010 139 S HN 0.674 nan 8.310 nan 0.000 0.610 140 S N 1.347 116.594 115.700 -0.755 0.000 3.341 140 S HA -0.265 4.204 4.470 -0.001 0.000 0.710 140 S C 0.417 174.930 174.600 -0.146 0.000 2.488 140 S CA 1.448 59.488 58.200 -0.267 0.000 2.591 140 S CB -0.425 62.890 63.200 0.191 0.000 0.307 140 S HN 0.580 nan 8.310 nan 0.000 1.457 141 E N 0.107 120.264 120.200 -0.070 0.000 2.479 141 E HA 0.271 4.620 4.350 -0.001 0.000 0.193 141 E C 0.259 176.802 176.600 -0.096 0.000 1.049 141 E CA 0.225 56.578 56.400 -0.079 0.000 0.870 141 E CB 0.141 29.804 29.700 -0.061 0.000 0.944 141 E HN 0.426 nan 8.360 nan 0.000 0.492 142 I N 1.952 122.469 120.570 -0.087 0.000 2.525 142 I HA 0.368 4.537 4.170 -0.001 0.000 0.301 142 I C -0.114 175.897 176.117 -0.175 0.000 0.992 142 I CA -0.817 60.360 61.300 -0.205 0.000 1.162 142 I CB 1.501 39.342 38.000 -0.266 0.000 1.332 142 I HN -0.047 nan 8.210 nan 0.000 0.458 143 R N 3.121 123.485 120.500 -0.227 0.000 2.764 143 R HA 0.590 4.929 4.340 -0.001 0.000 0.270 143 R C -1.012 175.227 176.300 -0.102 0.000 1.014 143 R CA -0.851 55.170 56.100 -0.131 0.000 0.904 143 R CB 0.556 30.802 30.300 -0.090 0.000 1.236 143 R HN 0.177 nan 8.270 nan 0.000 0.466 144 V N 1.029 120.932 119.914 -0.017 0.000 3.549 144 V HA 0.105 4.224 4.120 -0.001 0.000 0.300 144 V C 1.799 177.925 176.094 0.053 0.000 1.154 144 V CA 1.820 64.153 62.300 0.055 0.000 1.268 144 V CB 0.513 32.371 31.823 0.058 0.000 1.054 144 V HN 1.073 nan 8.190 nan 0.000 0.501 145 G N 0.804 109.648 108.800 0.075 0.000 2.353 145 G HA2 -0.256 3.703 3.960 -0.001 0.000 0.258 145 G HA3 -0.256 3.703 3.960 -0.001 0.000 0.258 145 G C 0.064 174.992 174.900 0.048 0.000 1.013 145 G CA 0.469 45.572 45.100 0.006 0.000 0.622 145 G HN 0.739 nan 8.290 nan 0.000 0.535 146 D N 0.949 121.410 120.400 0.103 0.000 2.382 146 D HA 0.480 5.120 4.640 -0.001 0.000 0.240 146 D C 0.476 177.036 176.300 0.434 0.000 1.146 146 D CA 0.194 54.270 54.000 0.127 0.000 0.897 146 D CB 0.924 41.647 40.800 -0.128 0.000 1.197 146 D HN 0.529 nan 8.370 nan 0.000 0.432 147 E N 0.882 121.314 120.200 0.386 0.000 2.183 147 E HA 0.369 4.718 4.350 -0.001 0.000 0.271 147 E C -1.199 175.610 176.600 0.348 0.000 0.919 147 E CA -0.873 55.760 56.400 0.389 0.000 0.781 147 E CB 1.368 31.193 29.700 0.208 0.000 1.140 147 E HN 0.159 nan 8.360 nan 0.000 0.402 148 L N 5.069 126.477 121.223 0.307 0.000 2.334 148 L HA 0.304 4.644 4.340 -0.001 0.000 0.277 148 L C -0.467 176.452 176.870 0.083 0.000 1.075 148 L CA 0.349 55.331 54.840 0.237 0.000 0.804 148 L CB 0.996 43.088 42.059 0.056 0.000 1.174 148 L HN 0.832 nan 8.230 nan 0.000 0.438 149 L N 1.958 123.212 121.223 0.052 0.000 2.664 149 L HA 0.422 4.762 4.340 -0.001 0.000 0.198 149 L C 0.209 177.057 176.870 -0.038 0.000 1.057 149 L CA -0.092 54.751 54.840 0.005 0.000 0.871 149 L CB 0.321 42.397 42.059 0.028 0.000 1.364 149 L HN 0.588 nan 8.230 nan 0.000 0.483 150 E N -0.323 119.862 120.200 -0.024 0.000 2.445 150 E HA 0.573 4.923 4.350 -0.001 0.000 0.273 150 E C -1.416 175.158 176.600 -0.045 0.000 0.961 150 E CA -0.709 55.665 56.400 -0.044 0.000 0.807 150 E CB 3.268 32.953 29.700 -0.024 0.000 1.362 150 E HN -0.251 nan 8.360 nan 0.000 0.453 151 V N 1.257 121.137 119.914 -0.056 0.000 2.595 151 V HA 0.209 4.328 4.120 -0.001 0.000 0.269 151 V C -1.068 175.005 176.094 -0.035 0.000 0.982 151 V CA -0.868 61.398 62.300 -0.056 0.000 0.873 151 V CB 0.756 32.521 31.823 -0.097 0.000 1.051 151 V HN 0.801 nan 8.190 nan 0.000 0.466 152 D N 3.404 123.790 120.400 -0.023 0.000 3.092 152 D HA -0.140 4.499 4.640 -0.001 0.000 0.253 152 D C 1.303 177.596 176.300 -0.011 0.000 1.063 152 D CA 1.100 55.094 54.000 -0.010 0.000 0.886 152 D CB -0.821 39.980 40.800 0.002 0.000 1.021 152 D HN 1.368 nan 8.370 nan 0.000 0.425 153 G N -0.138 108.655 108.800 -0.011 0.000 2.256 153 G HA2 -0.174 3.785 3.960 -0.001 0.000 0.279 153 G HA3 -0.174 3.785 3.960 -0.001 0.000 0.279 153 G C 0.449 175.341 174.900 -0.013 0.000 0.998 153 G CA 1.070 46.165 45.100 -0.009 0.000 0.720 153 G HN 1.209 nan 8.290 nan 0.000 0.521 154 A N 0.819 123.625 122.820 -0.022 0.000 2.258 154 A HA 0.752 5.072 4.320 -0.001 0.000 0.316 154 A C -1.854 175.701 177.584 -0.049 0.000 1.279 154 A CA -1.591 50.428 52.037 -0.031 0.000 0.876 154 A CB 1.532 20.513 19.000 -0.033 0.000 1.170 154 A HN 0.150 nan 8.150 nan 0.000 0.520 155 P HA 0.064 nan 4.420 nan 0.000 0.267 155 P C 1.377 178.608 177.300 -0.116 0.000 1.209 155 P CA 0.127 63.189 63.100 -0.063 0.000 0.763 155 P CB 0.918 32.598 31.700 -0.034 0.000 0.816 156 V N 4.039 123.841 119.914 -0.188 0.000 2.255 156 V HA -0.387 3.733 4.120 -0.001 0.000 0.258 156 V C 2.541 178.448 176.094 -0.310 0.000 1.069 156 V CA 2.746 64.844 62.300 -0.336 0.000 1.082 156 V CB -1.696 29.760 31.823 -0.611 0.000 0.707 156 V HN 0.532 nan 8.190 nan 0.000 0.466 157 Q N -0.337 119.307 119.800 -0.259 0.000 2.182 157 Q HA -0.285 4.055 4.340 -0.001 0.000 0.213 157 Q C 1.821 177.801 176.000 -0.032 0.000 1.000 157 Q CA 2.504 58.248 55.803 -0.099 0.000 0.889 157 Q CB -0.588 28.161 28.738 0.018 0.000 0.932 157 Q HN 0.761 nan 8.270 nan 0.000 0.415 158 D N -1.165 119.209 120.400 -0.044 0.000 2.149 158 D HA -0.061 4.579 4.640 -0.001 0.000 0.201 158 D C 1.774 178.050 176.300 -0.040 0.000 0.972 158 D CA 0.743 54.735 54.000 -0.013 0.000 0.835 158 D CB 0.034 40.825 40.800 -0.015 0.000 0.966 158 D HN 0.081 nan 8.370 nan 0.000 0.476 159 V N 0.680 120.534 119.914 -0.100 0.000 2.307 159 V HA -0.166 3.953 4.120 -0.001 0.000 0.245 159 V C 2.460 178.461 176.094 -0.154 0.000 1.045 159 V CA 1.054 63.282 62.300 -0.120 0.000 1.024 159 V CB -0.491 31.234 31.823 -0.164 0.000 0.651 159 V HN 0.234 nan 8.190 nan 0.000 0.449 160 L N 0.177 121.268 121.223 -0.219 0.000 2.265 160 L HA -0.155 4.184 4.340 -0.001 0.000 0.215 160 L C 2.662 179.309 176.870 -0.373 0.000 1.117 160 L CA 1.159 55.806 54.840 -0.323 0.000 0.782 160 L CB -0.728 41.120 42.059 -0.350 0.000 0.914 160 L HN 0.386 nan 8.230 nan 0.000 0.441 161 A N 0.090 122.876 122.820 -0.057 0.000 1.873 161 A HA -0.184 4.135 4.320 -0.001 0.000 0.215 161 A C 2.070 179.749 177.584 0.158 0.000 1.186 161 A CA 1.920 54.111 52.037 0.256 0.000 0.616 161 A CB -0.938 18.177 19.000 0.192 0.000 0.823 161 A HN 0.461 nan 8.150 nan 0.000 0.442 162 T N -2.443 112.132 114.554 0.035 0.000 3.722 162 T HA 0.440 4.789 4.350 -0.001 0.000 0.247 162 T C 0.578 175.278 174.700 0.001 0.000 1.004 162 T CA 0.507 62.625 62.100 0.030 0.000 0.947 162 T CB -0.373 68.500 68.868 0.009 0.000 1.114 162 T HN 0.305 nan 8.240 nan 0.000 0.633 163 L N -1.812 119.393 121.223 -0.030 0.000 3.679 163 L HA 0.364 4.704 4.340 -0.001 0.000 0.342 163 L C -0.064 176.788 176.870 -0.030 0.000 1.170 163 L CA -0.583 54.222 54.840 -0.058 0.000 1.221 163 L CB 0.469 42.438 42.059 -0.149 0.000 1.654 163 L HN 0.247 nan 8.230 nan 0.000 0.628 164 Y N 0.960 121.235 120.300 -0.041 0.000 2.223 164 Y HA 0.298 4.848 4.550 -0.001 0.000 0.352 164 Y C 1.474 177.388 175.900 0.024 0.000 1.293 164 Y CA 0.748 58.801 58.100 -0.079 0.000 1.601 164 Y CB 0.171 38.458 38.460 -0.289 0.000 1.407 164 Y HN -0.083 nan 8.280 nan 0.000 0.639 165 G N -0.493 108.486 108.800 0.297 0.000 2.504 165 G HA2 0.300 4.260 3.960 -0.001 0.000 0.288 165 G HA3 0.300 4.260 3.960 -0.001 0.000 0.288 165 G C 0.533 175.542 174.900 0.182 0.000 1.182 165 G CA -0.324 44.902 45.100 0.209 0.000 0.894 165 G HN 0.633 nan 8.290 nan 0.000 0.521 166 S N 0.399 116.185 115.700 0.144 0.000 2.359 166 S HA -0.148 4.322 4.470 -0.001 0.000 0.223 166 S C 1.225 175.896 174.600 0.118 0.000 1.039 166 S CA 1.386 59.664 58.200 0.130 0.000 1.042 166 S CB -0.193 63.092 63.200 0.142 0.000 0.915 166 S HN 0.589 nan 8.310 nan 0.000 0.439 167 N N 1.257 120.023 118.700 0.110 0.000 3.228 167 N HA 0.125 4.865 4.740 -0.001 0.000 0.289 167 N C -0.545 175.006 175.510 0.068 0.000 1.419 167 N CA -0.053 53.039 53.050 0.070 0.000 1.088 167 N CB 0.180 38.700 38.487 0.055 0.000 1.357 167 N HN 0.396 nan 8.380 nan 0.000 0.504 168 H N 1.999 121.065 119.070 -0.008 0.000 2.878 168 H HA 0.082 4.637 4.556 -0.001 0.000 0.290 168 H C 0.438 175.733 175.328 -0.055 0.000 1.065 168 H CA 0.185 56.222 56.048 -0.018 0.000 1.477 168 H CB 0.824 30.532 29.762 -0.090 0.000 1.484 168 H HN 0.179 nan 8.280 nan 0.000 0.504 169 K N 3.573 123.706 120.400 -0.444 0.000 2.167 169 K HA 0.008 4.327 4.320 -0.001 0.000 0.203 169 K C 1.200 177.463 176.600 -0.562 0.000 1.052 169 K CA 0.979 57.033 56.287 -0.388 0.000 0.956 169 K CB 0.161 32.573 32.500 -0.147 0.000 0.735 169 K HN 0.984 nan 8.250 nan 0.000 0.451 170 G N 2.418 110.624 108.800 -0.989 0.000 2.173 170 G HA2 -0.211 3.748 3.960 -0.001 0.000 0.174 170 G HA3 -0.211 3.748 3.960 -0.001 0.000 0.174 170 G C 0.123 175.005 174.900 -0.029 0.000 1.025 170 G CA 0.326 45.134 45.100 -0.487 0.000 0.706 170 G HN 0.338 nan 8.290 nan 0.000 0.499 171 T N -2.224 112.357 114.554 0.044 0.000 2.909 171 T HA 0.747 5.097 4.350 -0.001 0.000 0.289 171 T C 1.801 176.624 174.700 0.206 0.000 1.005 171 T CA 0.435 62.615 62.100 0.133 0.000 1.084 171 T CB 1.930 70.891 68.868 0.155 0.000 0.975 171 T HN 1.468 nan 8.240 nan 0.000 0.509 172 A N 2.753 125.666 122.820 0.154 0.000 1.881 172 A HA -0.048 4.271 4.320 -0.001 0.000 0.219 172 A C 2.682 180.378 177.584 0.187 0.000 1.215 172 A CA 2.668 54.794 52.037 0.148 0.000 0.648 172 A CB -1.697 17.355 19.000 0.087 0.000 0.832 172 A HN 1.422 nan 8.150 nan 0.000 0.455 173 A N -0.405 122.519 122.820 0.172 0.000 1.881 173 A HA -0.322 3.997 4.320 -0.001 0.000 0.219 173 A C 1.919 179.713 177.584 0.350 0.000 1.215 173 A CA 2.224 54.383 52.037 0.203 0.000 0.648 173 A CB -0.951 18.169 19.000 0.200 0.000 0.832 173 A HN 0.704 nan 8.150 nan 0.000 0.455 174 E N -1.211 119.238 120.200 0.415 0.000 2.023 174 E HA -0.272 4.077 4.350 -0.001 0.000 0.196 174 E C 2.091 178.928 176.600 0.395 0.000 1.003 174 E CA 1.401 58.084 56.400 0.472 0.000 0.809 174 E CB -0.262 29.785 29.700 0.578 0.000 0.755 174 E HN 0.718 nan 8.360 nan 0.000 0.449 175 E N 1.059 121.506 120.200 0.411 0.000 2.086 175 E HA -0.212 4.137 4.350 -0.001 0.000 0.200 175 E C 2.042 178.769 176.600 0.211 0.000 1.012 175 E CA 2.023 58.612 56.400 0.314 0.000 0.812 175 E CB -0.168 29.725 29.700 0.322 0.000 0.743 175 E HN 0.046 nan 8.360 nan 0.000 0.453 176 S N -0.113 115.721 115.700 0.223 0.000 2.338 176 S HA -0.078 4.391 4.470 -0.001 0.000 0.218 176 S C 2.079 176.802 174.600 0.206 0.000 1.032 176 S CA 1.031 59.348 58.200 0.196 0.000 0.999 176 S CB -0.710 62.603 63.200 0.187 0.000 0.905 176 S HN 0.540 nan 8.310 nan 0.000 0.439 177 A N 1.768 124.767 122.820 0.299 0.000 1.948 177 A HA -0.065 4.254 4.320 -0.001 0.000 0.220 177 A C 2.326 180.053 177.584 0.239 0.000 1.177 177 A CA 1.931 54.196 52.037 0.380 0.000 0.636 177 A CB -1.145 18.270 19.000 0.692 0.000 0.815 177 A HN 0.535 nan 8.150 nan 0.000 0.449 178 A N -0.490 122.415 122.820 0.141 0.000 1.940 178 A HA -0.067 4.252 4.320 -0.001 0.000 0.219 178 A C 2.196 179.752 177.584 -0.047 0.000 1.176 178 A CA 1.524 53.536 52.037 -0.042 0.000 0.631 178 A CB -0.543 18.264 19.000 -0.322 0.000 0.814 178 A HN 0.497 nan 8.150 nan 0.000 0.446 179 L N -1.076 120.156 121.223 0.017 0.000 1.976 179 L HA -0.243 4.096 4.340 -0.001 0.000 0.209 179 L C 2.845 179.730 176.870 0.025 0.000 1.071 179 L CA 1.767 56.621 54.840 0.023 0.000 0.746 179 L CB -0.522 41.602 42.059 0.109 0.000 0.890 179 L HN 0.389 nan 8.230 nan 0.000 0.432 180 R N -0.330 120.198 120.500 0.046 0.000 2.189 180 R HA -0.262 4.078 4.340 -0.001 0.000 0.252 180 R C 2.102 178.392 176.300 -0.017 0.000 1.134 180 R CA 2.453 58.562 56.100 0.015 0.000 0.954 180 R CB -1.377 28.874 30.300 -0.082 0.000 0.890 180 R HN 0.543 nan 8.270 nan 0.000 0.443 181 T N -0.360 114.158 114.554 -0.059 0.000 3.035 181 T HA -0.012 4.338 4.350 -0.001 0.000 0.268 181 T C 1.820 176.442 174.700 -0.130 0.000 1.109 181 T CA 0.584 62.600 62.100 -0.140 0.000 1.119 181 T CB -0.187 68.590 68.868 -0.153 0.000 0.900 181 T HN 0.175 nan 8.240 nan 0.000 0.503 182 L N -0.570 120.583 121.223 -0.117 0.000 1.990 182 L HA -0.038 4.302 4.340 -0.001 0.000 0.213 182 L C 1.735 178.456 176.870 -0.249 0.000 1.072 182 L CA 1.873 56.565 54.840 -0.245 0.000 0.755 182 L CB -0.241 41.611 42.059 -0.344 0.000 0.889 182 L HN 0.289 nan 8.230 nan 0.000 0.432 183 F N -1.687 118.351 119.950 0.148 0.000 2.695 183 F HA 0.179 4.706 4.527 -0.001 0.000 0.303 183 F C 0.715 176.762 175.800 0.412 0.000 1.091 183 F CA -0.306 57.875 58.000 0.302 0.000 1.300 183 F CB 0.678 39.772 39.000 0.156 0.000 1.071 183 F HN -0.132 nan 8.300 nan 0.000 0.578 184 S N 0.834 116.715 115.700 0.303 0.000 2.532 184 S HA 0.635 5.105 4.470 -0.001 0.000 0.299 184 S C -0.747 173.789 174.600 -0.108 0.000 1.105 184 S CA -0.699 57.586 58.200 0.141 0.000 1.018 184 S CB 1.263 64.430 63.200 -0.054 0.000 1.021 184 S HN -0.018 nan 8.310 nan 0.000 0.483 185 R N 2.733 123.161 120.500 -0.120 0.000 2.532 185 R HA 0.508 4.848 4.340 -0.001 0.000 0.297 185 R C -1.281 175.000 176.300 -0.031 0.000 0.984 185 R CA -0.361 55.600 56.100 -0.232 0.000 0.884 185 R CB 1.288 31.414 30.300 -0.288 0.000 1.182 185 R HN 0.624 nan 8.270 nan 0.000 0.442 186 M N 1.614 121.333 119.600 0.198 0.000 2.190 186 M HA 0.429 4.908 4.480 -0.001 0.000 0.312 186 M C 0.918 177.320 176.300 0.170 0.000 0.990 186 M CA -0.719 54.711 55.300 0.217 0.000 0.927 186 M CB 2.323 35.056 32.600 0.221 0.000 1.571 186 M HN 0.691 nan 8.290 nan 0.000 0.427 187 A N 1.350 124.199 122.820 0.048 0.000 1.930 187 A HA -0.076 4.244 4.320 -0.001 0.000 0.217 187 A C 1.913 179.464 177.584 -0.054 0.000 1.175 187 A CA 1.856 53.875 52.037 -0.030 0.000 0.627 187 A CB -0.600 18.370 19.000 -0.049 0.000 0.815 187 A HN 0.898 nan 8.150 nan 0.000 0.443 188 S N -1.212 114.506 115.700 0.030 0.000 2.711 188 S HA 0.177 4.646 4.470 -0.001 0.000 0.237 188 S C 0.808 175.489 174.600 0.135 0.000 0.971 188 S CA 1.027 59.288 58.200 0.102 0.000 0.964 188 S CB -0.229 63.031 63.200 0.100 0.000 0.775 188 S HN 0.482 nan 8.310 nan 0.000 0.540 189 L N -0.395 120.850 121.223 0.036 0.000 3.664 189 L HA 0.370 4.710 4.340 -0.001 0.000 0.341 189 L C 0.876 177.627 176.870 -0.198 0.000 1.247 189 L CA 0.333 55.148 54.840 -0.042 0.000 1.133 189 L CB 0.449 42.418 42.059 -0.151 0.000 1.498 189 L HN 0.478 nan 8.230 nan 0.000 0.628 190 G N 0.656 109.328 108.800 -0.214 0.000 2.204 190 G HA2 -0.212 3.748 3.960 -0.001 0.000 0.244 190 G HA3 -0.212 3.748 3.960 -0.001 0.000 0.244 190 G C -0.230 174.540 174.900 -0.217 0.000 1.062 190 G CA -0.074 44.867 45.100 -0.265 0.000 0.798 190 G HN 0.390 nan 8.290 nan 0.000 0.496 191 H N -0.265 118.783 119.070 -0.036 0.000 2.525 191 H HA 0.447 5.003 4.556 -0.001 0.000 0.340 191 H C 0.347 175.646 175.328 -0.049 0.000 1.168 191 H CA -0.564 55.469 56.048 -0.026 0.000 1.247 191 H CB 1.276 31.020 29.762 -0.030 0.000 1.568 191 H HN 0.144 nan 8.280 nan 0.000 0.536 192 K N 1.690 122.151 120.400 0.102 0.000 2.250 192 K HA 0.204 4.524 4.320 -0.001 0.000 0.285 192 K C -0.572 176.007 176.600 -0.035 0.000 1.097 192 K CA -0.364 55.938 56.287 0.024 0.000 0.913 192 K CB 0.518 33.026 32.500 0.014 0.000 1.179 192 K HN 0.193 nan 8.250 nan 0.000 0.462 193 V N 7.428 127.324 119.914 -0.031 0.000 2.397 193 V HA 0.063 4.183 4.120 -0.001 0.000 0.262 193 V C -1.480 174.554 176.094 -0.099 0.000 1.047 193 V CA -1.152 61.097 62.300 -0.084 0.000 1.003 193 V CB 0.033 31.835 31.823 -0.035 0.000 1.037 193 V HN 0.694 nan 8.190 nan 0.000 0.480 194 P HA 0.426 nan 4.420 nan 0.000 0.279 194 P C -0.607 176.487 177.300 -0.342 0.000 1.252 194 P CA -0.227 62.668 63.100 -0.342 0.000 0.811 194 P CB 1.817 33.205 31.700 -0.521 0.000 1.035 195 S N -0.680 114.926 115.700 -0.157 0.000 2.685 195 S HA 0.835 5.305 4.470 -0.001 0.000 0.282 195 S C 0.090 174.756 174.600 0.110 0.000 1.159 195 S CA 0.061 58.240 58.200 -0.034 0.000 0.833 195 S CB 1.154 64.206 63.200 -0.248 0.000 1.151 195 S HN 0.970 nan 8.310 nan 0.000 0.485 196 G N 0.898 109.787 108.800 0.148 0.000 2.587 196 G HA2 -0.035 3.925 3.960 -0.001 0.000 0.212 196 G HA3 -0.035 3.925 3.960 -0.001 0.000 0.212 196 G C -0.846 174.191 174.900 0.228 0.000 1.327 196 G CA -0.509 44.680 45.100 0.148 0.000 0.898 196 G HN 0.890 nan 8.290 nan 0.000 0.551 197 R N -0.937 119.644 120.500 0.135 0.000 2.608 197 R HA 0.811 5.151 4.340 -0.001 0.000 0.255 197 R C -0.313 176.022 176.300 0.058 0.000 1.086 197 R CA 0.057 56.202 56.100 0.075 0.000 1.125 197 R CB 1.650 31.971 30.300 0.036 0.000 1.193 197 R HN 0.884 nan 8.270 nan 0.000 0.553 198 T N 0.099 114.634 114.554 -0.030 0.000 3.486 198 T HA 0.126 4.475 4.350 -0.001 0.000 0.375 198 T C -0.964 173.689 174.700 -0.078 0.000 1.459 198 T CA -0.577 61.498 62.100 -0.041 0.000 1.151 198 T CB 1.167 70.008 68.868 -0.046 0.000 1.336 198 T HN 0.557 nan 8.240 nan 0.000 0.477 199 T N 4.779 119.306 114.554 -0.044 0.000 2.903 199 T HA 0.464 4.813 4.350 -0.001 0.000 0.314 199 T C 0.001 174.668 174.700 -0.055 0.000 1.078 199 T CA -0.327 61.747 62.100 -0.044 0.000 1.114 199 T CB 0.169 69.023 68.868 -0.023 0.000 0.987 199 T HN 0.499 nan 8.240 nan 0.000 0.548 200 L N 2.310 123.504 121.223 -0.049 0.000 2.529 200 L HA 0.333 4.672 4.340 -0.001 0.000 0.258 200 L C 0.006 176.875 176.870 -0.002 0.000 1.032 200 L CA -0.656 54.167 54.840 -0.028 0.000 0.899 200 L CB 1.450 43.474 42.059 -0.058 0.000 1.174 200 L HN 0.603 nan 8.230 nan 0.000 0.458 201 K N 4.861 125.266 120.400 0.009 0.000 2.412 201 K HA 0.378 4.698 4.320 -0.001 0.000 0.284 201 K C -0.450 176.180 176.600 0.051 0.000 1.046 201 K CA -0.012 56.286 56.287 0.019 0.000 0.999 201 K CB 0.493 33.001 32.500 0.013 0.000 0.941 201 K HN 0.587 nan 8.250 nan 0.000 0.474 202 I N 0.565 121.162 120.570 0.045 0.000 2.785 202 I HA 0.534 4.703 4.170 -0.001 0.000 0.302 202 I C -1.017 175.136 176.117 0.061 0.000 1.069 202 I CA -1.364 59.980 61.300 0.074 0.000 1.045 202 I CB 2.128 40.141 38.000 0.022 0.000 1.236 202 I HN 0.476 nan 8.210 nan 0.000 0.429 203 R N 3.931 124.485 120.500 0.090 0.000 2.272 203 R HA 0.412 4.751 4.340 -0.001 0.000 0.323 203 R C -0.415 175.935 176.300 0.083 0.000 1.002 203 R CA -0.546 55.605 56.100 0.086 0.000 0.900 203 R CB 0.630 30.990 30.300 0.099 0.000 1.151 203 R HN 0.617 nan 8.270 nan 0.000 0.507 204 R N 4.229 124.763 120.500 0.057 0.000 2.802 204 R HA -0.022 4.317 4.340 -0.001 0.000 0.264 204 R C -1.576 174.739 176.300 0.025 0.000 0.996 204 R CA -1.112 55.009 56.100 0.035 0.000 1.123 204 R CB 0.075 30.410 30.300 0.060 0.000 0.996 204 R HN 0.584 nan 8.270 nan 0.000 0.444 205 P HA -0.134 nan 4.420 nan 0.000 0.226 205 P C 0.061 177.241 177.300 -0.199 0.000 1.146 205 P CA 1.316 64.300 63.100 -0.193 0.000 0.773 205 P CB 0.131 31.623 31.700 -0.346 0.000 0.772 206 F N 0.358 120.345 119.950 0.061 0.000 2.366 206 F HA 0.411 4.937 4.527 -0.001 0.000 0.328 206 F C 1.312 177.138 175.800 0.043 0.000 1.180 206 F CA -0.909 57.120 58.000 0.050 0.000 1.232 206 F CB 0.087 39.111 39.000 0.040 0.000 1.513 206 F HN -0.091 nan 8.300 nan 0.000 0.540 207 G N 1.927 110.863 108.800 0.227 0.000 2.447 207 G HA2 -0.308 3.652 3.960 -0.001 0.000 0.293 207 G HA3 -0.308 3.652 3.960 -0.001 0.000 0.293 207 G C 0.126 175.093 174.900 0.113 0.000 0.894 207 G CA 1.051 46.238 45.100 0.145 0.000 1.066 207 G HN 0.521 nan 8.290 nan 0.000 0.503 208 T N -0.516 114.103 114.554 0.109 0.000 2.841 208 T HA 0.569 4.918 4.350 -0.001 0.000 0.285 208 T C 0.383 175.119 174.700 0.059 0.000 0.991 208 T CA 0.001 62.148 62.100 0.079 0.000 0.966 208 T CB 1.130 70.049 68.868 0.084 0.000 0.962 208 T HN 0.157 nan 8.240 nan 0.000 0.438 209 T N 6.488 121.069 114.554 0.045 0.000 2.834 209 T HA 0.440 4.789 4.350 -0.001 0.000 0.298 209 T C -0.180 174.534 174.700 0.024 0.000 0.966 209 T CA -0.406 61.714 62.100 0.034 0.000 1.141 209 T CB 0.080 68.965 68.868 0.028 0.000 0.905 209 T HN 0.382 nan 8.240 nan 0.000 0.535 210 R N 3.017 123.527 120.500 0.017 0.000 2.512 210 R HA 0.208 4.547 4.340 -0.001 0.000 0.291 210 R C -0.804 175.493 176.300 -0.005 0.000 1.097 210 R CA -0.532 55.571 56.100 0.004 0.000 0.940 210 R CB 1.637 31.935 30.300 -0.003 0.000 1.198 210 R HN 0.701 nan 8.270 nan 0.000 0.429 211 E N 2.361 122.557 120.200 -0.007 0.000 2.152 211 E HA 0.245 4.595 4.350 -0.001 0.000 0.285 211 E C -0.272 176.313 176.600 -0.025 0.000 1.043 211 E CA -0.444 55.948 56.400 -0.013 0.000 0.839 211 E CB 1.657 31.352 29.700 -0.009 0.000 1.069 211 E HN 0.140 nan 8.360 nan 0.000 0.399 212 V N 3.772 123.663 119.914 -0.038 0.000 2.370 212 V HA 0.282 4.402 4.120 -0.001 0.000 0.279 212 V C 0.121 176.180 176.094 -0.057 0.000 1.029 212 V CA -0.893 61.376 62.300 -0.053 0.000 0.870 212 V CB 1.143 32.916 31.823 -0.084 0.000 0.984 212 V HN 0.511 nan 8.190 nan 0.000 0.451 213 R N 3.780 124.257 120.500 -0.039 0.000 2.216 213 R HA 0.583 4.922 4.340 -0.001 0.000 0.332 213 R C -0.952 175.326 176.300 -0.037 0.000 1.056 213 R CA 0.047 56.127 56.100 -0.034 0.000 0.901 213 R CB 0.786 31.078 30.300 -0.013 0.000 1.039 213 R HN 0.582 nan 8.270 nan 0.000 0.456 214 V N 4.461 124.328 119.914 -0.079 0.000 2.864 214 V HA 0.463 4.582 4.120 -0.001 0.000 0.314 214 V C -0.605 175.431 176.094 -0.097 0.000 1.073 214 V CA -0.923 61.317 62.300 -0.101 0.000 0.956 214 V CB 2.203 33.879 31.823 -0.245 0.000 1.023 214 V HN 0.679 nan 8.190 nan 0.000 0.435 215 K N 3.243 123.611 120.400 -0.053 0.000 2.425 215 K HA 0.316 4.636 4.320 -0.001 0.000 0.259 215 K C -1.022 175.617 176.600 0.065 0.000 0.978 215 K CA -0.507 55.788 56.287 0.012 0.000 0.883 215 K CB 0.721 33.253 32.500 0.053 0.000 1.110 215 K HN 0.619 nan 8.250 nan 0.000 0.436 216 W N 3.593 124.928 121.300 0.058 0.000 2.409 216 W HA -0.031 4.629 4.660 -0.001 0.000 0.338 216 W C 0.412 177.000 176.519 0.115 0.000 1.273 216 W CA -0.256 57.146 57.345 0.095 0.000 1.299 216 W CB 0.410 29.948 29.460 0.129 0.000 1.192 216 W HN 0.385 nan 8.180 nan 0.000 0.565 217 R N 3.879 124.636 120.500 0.428 0.000 2.210 217 R HA 0.182 4.521 4.340 -0.001 0.000 0.338 217 R C -0.721 175.847 176.300 0.448 0.000 1.062 217 R CA -0.419 55.898 56.100 0.363 0.000 0.902 217 R CB -0.077 30.430 30.300 0.345 0.000 1.050 217 R HN 0.420 nan 8.270 nan 0.000 0.461 218 Y N 1.810 122.235 120.300 0.208 0.000 2.453 218 Y HA 0.592 5.141 4.550 -0.001 0.000 0.326 218 Y C -0.643 175.312 175.900 0.091 0.000 1.186 218 Y CA -0.879 57.301 58.100 0.132 0.000 1.200 218 Y CB 1.332 39.843 38.460 0.086 0.000 1.247 218 Y HN 0.215 nan 8.280 nan 0.000 0.482 219 V N 6.822 126.342 119.914 -0.655 0.000 2.447 219 V HA 0.324 4.443 4.120 -0.001 0.000 0.292 219 V C -2.328 173.342 176.094 -0.706 0.000 1.021 219 V CA -1.998 60.031 62.300 -0.451 0.000 0.850 219 V CB 1.386 33.031 31.823 -0.297 0.000 1.005 219 V HN 0.692 nan 8.190 nan 0.000 0.426 220 P HA 0.036 nan 4.420 nan 0.000 0.267 220 P C -0.469 176.826 177.300 -0.008 0.000 1.200 220 P CA -0.019 63.166 63.100 0.141 0.000 0.772 220 P CB 1.082 32.890 31.700 0.180 0.000 0.855 221 E N 2.214 122.446 120.200 0.052 0.000 2.070 221 E HA 0.352 4.701 4.350 -0.001 0.000 0.282 221 E C 0.628 177.244 176.600 0.027 0.000 1.104 221 E CA -0.159 56.252 56.400 0.019 0.000 0.876 221 E CB -0.366 29.361 29.700 0.044 0.000 1.055 221 E HN 0.542 nan 8.360 nan 0.000 0.401 259 L N -1.139 120.054 121.223 -0.050 0.000 5.005 259 L HA -0.318 4.022 4.340 -0.001 0.000 0.455 259 L C 1.921 178.691 176.870 -0.165 0.000 1.013 259 L CA 3.243 57.953 54.840 -0.216 0.000 0.839 259 L CB -2.706 39.020 42.059 -0.555 0.000 1.483 259 L HN 0.925 nan 8.230 nan 0.000 0.991 260 F N -3.154 116.668 119.950 -0.214 0.000 2.622 260 F HA 0.332 4.859 4.527 -0.001 0.000 0.288 260 F C 1.838 177.855 175.800 0.361 0.000 1.120 260 F CA 0.393 58.300 58.000 -0.155 0.000 1.423 260 F CB -0.024 38.985 39.000 0.015 0.000 1.127 260 F HN 0.439 nan 8.300 nan 0.000 0.588 261 Y N -0.720 119.799 120.300 0.365 0.000 2.507 261 Y HA 0.291 4.841 4.550 -0.001 0.000 0.254 261 Y C 0.768 176.811 175.900 0.238 0.000 1.171 261 Y CA -0.518 57.775 58.100 0.322 0.000 1.238 261 Y CB -0.082 38.512 38.460 0.224 0.000 1.148 261 Y HN -0.294 nan 8.280 nan 0.000 0.525 262 S N 3.452 119.377 115.700 0.375 0.000 2.525 262 S HA 0.273 4.742 4.470 -0.001 0.000 0.278 262 S C -2.435 172.301 174.600 0.227 0.000 1.234 262 S CA -1.244 57.111 58.200 0.260 0.000 1.058 262 S CB 0.637 63.966 63.200 0.215 0.000 0.983 262 S HN 0.052 nan 8.310 nan 0.000 0.495 263 P HA 0.077 nan 4.420 nan 0.000 0.267 263 P C -0.868 176.473 177.300 0.068 0.000 1.209 263 P CA -0.023 63.127 63.100 0.083 0.000 0.763 263 P CB 0.270 32.018 31.700 0.080 0.000 0.816 264 M N 3.585 123.176 119.600 -0.016 0.000 2.685 264 M HA 0.168 4.647 4.480 -0.001 0.000 0.316 264 M C -0.444 175.860 176.300 0.007 0.000 1.523 264 M CA 0.401 55.694 55.300 -0.012 0.000 1.472 264 M CB -0.169 32.323 32.600 -0.180 0.000 1.525 264 M HN 0.116 nan 8.290 nan 0.000 0.471 265 V N 4.602 124.522 119.914 0.010 0.000 2.969 265 V HA 0.483 4.602 4.120 -0.001 0.000 0.304 265 V C -2.175 173.858 176.094 -0.101 0.000 1.192 265 V CA -1.454 60.822 62.300 -0.041 0.000 0.962 265 V CB 2.265 34.136 31.823 0.080 0.000 1.045 265 V HN 0.553 nan 8.190 nan 0.000 0.428 266 P HA 0.109 nan 4.420 nan 0.000 0.271 266 P C 0.381 177.816 177.300 0.225 0.000 1.233 266 P CA 0.160 63.263 63.100 0.006 0.000 0.789 266 P CB 0.430 32.249 31.700 0.199 0.000 0.951 267 H N -0.358 118.744 119.070 0.053 0.000 2.457 267 H HA -0.093 4.462 4.556 -0.001 0.000 0.294 267 H C 1.541 176.998 175.328 0.215 0.000 1.064 267 H CA 0.598 56.707 56.048 0.102 0.000 1.330 267 H CB -1.293 28.502 29.762 0.056 0.000 1.395 267 H HN 0.129 nan 8.280 nan 0.000 0.541 268 F N 1.076 120.913 119.950 -0.188 0.000 2.153 268 F HA -0.334 4.193 4.527 -0.001 0.000 0.300 268 F C 2.322 178.116 175.800 -0.010 0.000 1.214 268 F CA 1.583 59.490 58.000 -0.156 0.000 1.248 268 F CB -1.507 37.483 39.000 -0.017 0.000 0.924 268 F HN 0.251 nan 8.300 nan 0.000 0.553 269 W N 0.264 121.596 121.300 0.053 0.000 2.288 269 W HA -0.403 4.257 4.660 -0.001 0.000 0.346 269 W C 2.658 179.110 176.519 -0.111 0.000 1.402 269 W CA 3.132 60.404 57.345 -0.121 0.000 1.311 269 W CB -1.424 27.954 29.460 -0.136 0.000 1.100 269 W HN 0.292 nan 8.180 nan 0.000 0.468 270 A N -0.460 122.394 122.820 0.057 0.000 1.916 270 A HA -0.376 3.943 4.320 -0.001 0.000 0.224 270 A C 1.952 179.438 177.584 -0.164 0.000 1.366 270 A CA 2.936 54.914 52.037 -0.098 0.000 0.692 270 A CB -1.221 17.793 19.000 0.023 0.000 0.841 270 A HN 0.468 nan 8.150 nan 0.000 0.480 271 E N -0.599 119.560 120.200 -0.069 0.000 2.028 271 E HA -0.088 4.261 4.350 -0.001 0.000 0.190 271 E C 2.221 178.757 176.600 -0.106 0.000 0.984 271 E CA 0.813 57.182 56.400 -0.052 0.000 0.800 271 E CB -0.551 29.159 29.700 0.017 0.000 0.758 271 E HN 0.659 nan 8.360 nan 0.000 0.448 272 L N 0.682 121.803 121.223 -0.169 0.000 1.991 272 L HA -0.315 4.024 4.340 -0.001 0.000 0.221 272 L C 2.762 179.355 176.870 -0.462 0.000 1.079 272 L CA 1.782 56.429 54.840 -0.322 0.000 0.778 272 L CB -0.448 41.336 42.059 -0.457 0.000 0.893 272 L HN 0.146 nan 8.230 nan 0.000 0.437 273 R N -0.322 119.784 120.500 -0.657 0.000 2.143 273 R HA -0.258 4.082 4.340 -0.001 0.000 0.239 273 R C 2.014 178.132 176.300 -0.303 0.000 1.126 273 R CA 2.079 57.800 56.100 -0.633 0.000 0.927 273 R CB -0.600 29.182 30.300 -0.864 0.000 0.860 273 R HN 0.369 nan 8.270 nan 0.000 0.433 274 N N -0.155 118.404 118.700 -0.234 0.000 2.635 274 N HA -0.171 4.568 4.740 -0.001 0.000 0.191 274 N C 1.265 176.743 175.510 -0.052 0.000 1.155 274 N CA 0.943 53.917 53.050 -0.126 0.000 0.927 274 N CB -0.008 38.421 38.487 -0.097 0.000 0.976 274 N HN 0.418 nan 8.380 nan 0.000 0.448 275 H N -0.987 118.017 119.070 -0.109 0.000 2.422 275 H HA 0.032 4.588 4.556 -0.001 0.000 0.303 275 H C 1.408 176.784 175.328 0.079 0.000 1.033 275 H CA 0.410 56.444 56.048 -0.025 0.000 1.335 275 H CB -0.100 29.670 29.762 0.014 0.000 1.458 275 H HN 0.233 nan 8.280 nan 0.000 0.556 276 Y N 1.020 121.351 120.300 0.052 0.000 2.049 276 Y HA -0.247 4.303 4.550 -0.001 0.000 0.277 276 Y C 3.081 178.920 175.900 -0.101 0.000 1.143 276 Y CA 0.711 58.817 58.100 0.009 0.000 1.115 276 Y CB -0.285 38.194 38.460 0.031 0.000 0.975 276 Y HN 0.283 nan 8.280 nan 0.000 0.487 277 A N 0.047 122.919 122.820 0.086 0.000 1.915 277 A HA -0.276 4.043 4.320 -0.001 0.000 0.220 277 A C 2.176 179.715 177.584 -0.075 0.000 1.198 277 A CA 2.636 54.664 52.037 -0.014 0.000 0.647 277 A CB -1.366 17.600 19.000 -0.056 0.000 0.825 277 A HN 0.470 nan 8.150 nan 0.000 0.456 278 T N -0.034 114.444 114.554 -0.128 0.000 2.612 278 T HA 0.003 4.353 4.350 -0.001 0.000 0.259 278 T C 1.005 175.558 174.700 -0.246 0.000 1.065 278 T CA 1.304 63.296 62.100 -0.179 0.000 1.167 278 T CB -0.276 68.465 68.868 -0.211 0.000 0.863 278 T HN 0.391 nan 8.240 nan 0.000 0.407 279 S N 1.546 116.996 115.700 -0.417 0.000 2.416 279 S HA 0.484 4.953 4.470 -0.001 0.000 0.287 279 S C 0.628 175.028 174.600 -0.335 0.000 1.139 279 S CA -0.825 57.040 58.200 -0.558 0.000 1.058 279 S CB 0.858 63.378 63.200 -1.133 0.000 0.967 279 S HN 0.606 nan 8.310 nan 0.000 0.495 280 G N 2.360 111.068 108.800 -0.155 0.000 2.115 280 G HA2 0.224 4.184 3.960 -0.001 0.000 0.244 280 G HA3 0.224 4.184 3.960 -0.001 0.000 0.244 280 G C -0.176 174.741 174.900 0.027 0.000 1.105 280 G CA 0.076 45.157 45.100 -0.032 0.000 0.893 280 G HN 0.797 nan 8.290 nan 0.000 0.443 281 L N 1.789 123.002 121.223 -0.016 0.000 2.342 281 L HA 0.135 4.474 4.340 -0.001 0.000 0.272 281 L C 1.182 177.960 176.870 -0.153 0.000 1.398 281 L CA -0.359 54.454 54.840 -0.044 0.000 0.651 281 L CB 0.041 42.084 42.059 -0.027 0.000 0.902 281 L HN 0.683 nan 8.230 nan 0.000 0.525 282 K N -0.446 119.914 120.400 -0.066 0.000 2.296 282 K HA 0.047 4.366 4.320 -0.001 0.000 0.200 282 K C 1.118 177.706 176.600 -0.019 0.000 1.048 282 K CA 0.640 56.905 56.287 -0.037 0.000 0.966 282 K CB 0.087 32.587 32.500 0.000 0.000 0.754 282 K HN 0.519 nan 8.250 nan 0.000 0.466 283 S N 0.971 116.665 115.700 -0.010 0.000 3.116 283 S HA -0.141 4.329 4.470 -0.001 0.000 0.373 283 S C 1.233 175.895 174.600 0.102 0.000 1.193 283 S CA 0.206 58.448 58.200 0.070 0.000 0.972 283 S CB 0.556 63.816 63.200 0.099 0.000 0.671 283 S HN 0.411 nan 8.310 nan 0.000 0.488 284 G N 2.628 111.506 108.800 0.130 0.000 2.708 284 G HA2 -0.063 3.896 3.960 -0.001 0.000 0.210 284 G HA3 -0.063 3.896 3.960 -0.001 0.000 0.210 284 G C 0.675 175.604 174.900 0.050 0.000 1.141 284 G CA 0.276 45.429 45.100 0.089 0.000 0.788 284 G HN 0.886 nan 8.290 nan 0.000 0.531 285 Y N 0.536 120.857 120.300 0.034 0.000 2.544 285 Y HA 0.122 4.672 4.550 -0.001 0.000 0.286 285 Y C 1.450 177.338 175.900 -0.020 0.000 1.141 285 Y CA -0.468 57.595 58.100 -0.062 0.000 1.299 285 Y CB -0.013 38.385 38.460 -0.104 0.000 1.030 285 Y HN 0.059 nan 8.280 nan 0.000 0.543 286 N N 0.428 119.215 118.700 0.145 0.000 2.267 286 N HA -0.034 4.705 4.740 -0.001 0.000 0.226 286 N C -0.503 175.163 175.510 0.261 0.000 1.314 286 N CA 0.057 53.228 53.050 0.202 0.000 0.887 286 N CB 0.323 38.932 38.487 0.203 0.000 1.120 286 N HN -0.060 nan 8.380 nan 0.000 0.440 287 I N 0.322 121.112 120.570 0.368 0.000 2.496 287 I HA 0.155 4.325 4.170 -0.001 0.000 0.285 287 I C 1.365 177.620 176.117 0.230 0.000 1.080 287 I CA 0.539 61.948 61.300 0.181 0.000 1.404 287 I CB 0.221 38.239 38.000 0.030 0.000 1.403 287 I HN 0.713 nan 8.210 nan 0.000 0.539 288 G N 3.833 112.688 108.800 0.092 0.000 2.249 288 G HA2 -0.263 3.697 3.960 -0.001 0.000 0.273 288 G HA3 -0.263 3.697 3.960 -0.001 0.000 0.273 288 G C 0.432 175.438 174.900 0.178 0.000 1.036 288 G CA 0.405 45.574 45.100 0.115 0.000 0.824 288 G HN 0.729 nan 8.290 nan 0.000 0.504 289 S N -0.120 115.680 115.700 0.165 0.000 2.499 289 S HA 0.492 4.962 4.470 -0.001 0.000 0.275 289 S C 2.147 176.810 174.600 0.105 0.000 1.257 289 S CA 0.761 59.047 58.200 0.144 0.000 1.050 289 S CB 0.538 63.819 63.200 0.134 0.000 0.937 289 S HN 0.924 nan 8.310 nan 0.000 0.490 290 T N 3.017 117.618 114.554 0.079 0.000 2.597 290 T HA -0.190 4.160 4.350 -0.001 0.000 0.267 290 T C 0.187 174.928 174.700 0.068 0.000 1.053 290 T CA 1.543 63.675 62.100 0.053 0.000 1.165 290 T CB -0.979 67.900 68.868 0.018 0.000 0.863 290 T HN 0.693 nan 8.240 nan 0.000 0.427 291 D N 1.419 121.852 120.400 0.056 0.000 2.304 291 D HA 0.537 5.176 4.640 -0.001 0.000 0.247 291 D C 1.044 177.384 176.300 0.066 0.000 1.089 291 D CA 0.124 54.149 54.000 0.042 0.000 0.910 291 D CB 0.812 41.627 40.800 0.025 0.000 1.199 291 D HN 0.394 nan 8.370 nan 0.000 0.426 292 G N 0.258 109.095 108.800 0.062 0.000 3.022 292 G HA2 0.248 4.207 3.960 -0.001 0.000 0.157 292 G HA3 0.248 4.207 3.960 -0.001 0.000 0.157 292 G C 0.171 175.120 174.900 0.083 0.000 1.691 292 G CA -0.192 44.972 45.100 0.107 0.000 1.079 292 G HN 0.685 nan 8.290 nan 0.000 0.549 293 F N -2.206 117.613 119.950 -0.218 0.000 2.925 293 F HA 0.518 5.044 4.527 -0.001 0.000 0.359 293 F C 0.262 175.855 175.800 -0.346 0.000 1.038 293 F CA -0.684 57.045 58.000 -0.451 0.000 1.130 293 F CB 0.245 38.613 39.000 -1.054 0.000 1.093 293 F HN -0.055 nan 8.300 nan 0.000 0.561 294 L N 5.218 125.981 121.223 -0.767 0.000 2.361 294 L HA 0.337 4.677 4.340 -0.001 0.000 0.278 294 L C -1.852 174.979 176.870 -0.066 0.000 1.113 294 L CA -1.802 52.739 54.840 -0.498 0.000 0.849 294 L CB 0.551 42.440 42.059 -0.283 0.000 1.155 294 L HN -0.065 nan 8.230 nan 0.000 0.452 295 P HA 0.082 nan 4.420 nan 0.000 0.274 295 P C -0.554 176.840 177.300 0.157 0.000 1.256 295 P CA -0.477 62.672 63.100 0.082 0.000 0.795 295 P CB 0.828 32.589 31.700 0.102 0.000 1.038 296 V N -0.456 119.500 119.914 0.069 0.000 2.752 296 V HA -0.126 3.993 4.120 -0.001 0.000 0.306 296 V C 1.498 177.701 176.094 0.182 0.000 1.099 296 V CA 0.195 62.530 62.300 0.057 0.000 1.240 296 V CB -1.140 30.549 31.823 -0.224 0.000 0.887 296 V HN 0.436 nan 8.190 nan 0.000 0.499 297 I N 2.131 122.915 120.570 0.357 0.000 3.291 297 I HA 0.619 4.788 4.170 -0.001 0.000 0.279 297 I C 1.050 177.249 176.117 0.137 0.000 1.294 297 I CA 0.879 62.322 61.300 0.237 0.000 1.428 297 I CB -1.356 36.786 38.000 0.237 0.000 1.070 297 I HN 1.134 nan 8.210 nan 0.000 0.478 298 G N 0.196 109.054 108.800 0.097 0.000 2.340 298 G HA2 0.379 4.338 3.960 -0.001 0.000 0.299 298 G HA3 0.379 4.338 3.960 -0.001 0.000 0.299 298 G C -3.190 171.710 174.900 0.000 0.000 1.291 298 G CA -0.723 44.406 45.100 0.048 0.000 0.841 298 G HN -0.062 nan 8.290 nan 0.000 0.500 299 P HA 0.254 nan 4.420 nan 0.000 0.260 299 P C 0.329 177.621 177.300 -0.014 0.000 1.185 299 P CA 0.192 63.283 63.100 -0.014 0.000 0.763 299 P CB 0.734 32.435 31.700 0.001 0.000 0.776 300 V N 4.866 124.742 119.914 -0.064 0.000 2.555 300 V HA 0.075 4.194 4.120 -0.001 0.000 0.286 300 V C 1.784 177.894 176.094 0.027 0.000 1.044 300 V CA 0.105 62.366 62.300 -0.065 0.000 1.026 300 V CB 0.293 32.016 31.823 -0.167 0.000 0.981 300 V HN 0.619 nan 8.190 nan 0.000 0.480 301 I N -0.283 120.358 120.570 0.119 0.000 4.403 301 I HA 0.535 4.705 4.170 -0.001 0.000 0.331 301 I C 0.053 176.333 176.117 0.273 0.000 1.327 301 I CA -0.112 61.279 61.300 0.152 0.000 1.175 301 I CB 0.663 38.749 38.000 0.143 0.000 1.165 301 I HN 0.631 nan 8.210 nan 0.000 0.413 302 W N 2.087 123.444 121.300 0.094 0.000 3.439 302 W HA 0.565 5.225 4.660 -0.001 0.000 0.323 302 W C -1.487 175.134 176.519 0.170 0.000 1.174 302 W CA -0.322 57.094 57.345 0.120 0.000 1.224 302 W CB 1.347 30.896 29.460 0.149 0.000 1.348 302 W HN -0.011 nan 8.180 nan 0.000 0.498 303 E N 2.767 122.603 120.200 -0.608 0.000 2.336 303 E HA 0.606 4.955 4.350 -0.001 0.000 0.267 303 E C -1.372 174.453 176.600 -1.292 0.000 0.906 303 E CA -0.803 55.272 56.400 -0.542 0.000 0.781 303 E CB 2.294 31.813 29.700 -0.303 0.000 1.261 303 E HN 0.185 nan 8.360 nan 0.000 0.436 304 S N 1.722 116.949 115.700 -0.789 0.000 2.454 304 S HA 0.260 4.729 4.470 -0.001 0.000 0.306 304 S C -1.099 173.332 174.600 -0.281 0.000 1.100 304 S CA -0.625 57.185 58.200 -0.651 0.000 1.087 304 S CB 0.875 63.935 63.200 -0.234 0.000 1.019 304 S HN 0.439 nan 8.310 nan 0.000 0.480 305 E N 3.347 123.417 120.200 -0.218 0.000 1.986 305 E HA 0.528 4.878 4.350 -0.001 0.000 0.264 305 E C 0.471 177.045 176.600 -0.043 0.000 1.023 305 E CA -0.479 55.852 56.400 -0.114 0.000 0.834 305 E CB 0.868 30.504 29.700 -0.107 0.000 1.111 305 E HN 0.741 nan 8.360 nan 0.000 0.417 306 G N 0.980 109.773 108.800 -0.012 0.000 2.604 306 G HA2 0.096 4.056 3.960 -0.001 0.000 0.242 306 G HA3 0.096 4.056 3.960 -0.001 0.000 0.242 306 G C -0.215 174.705 174.900 0.034 0.000 1.208 306 G CA -0.657 44.461 45.100 0.030 0.000 0.912 306 G HN 0.333 nan 8.290 nan 0.000 0.502 307 L N -0.544 120.707 121.223 0.047 0.000 2.162 307 L HA 0.524 4.864 4.340 -0.001 0.000 0.205 307 L C 0.623 177.424 176.870 -0.115 0.000 1.086 307 L CA 0.802 55.613 54.840 -0.048 0.000 0.778 307 L CB -0.307 41.689 42.059 -0.104 0.000 0.928 307 L HN 0.317 nan 8.230 nan 0.000 0.446 308 F N -0.674 119.301 119.950 0.042 0.000 2.380 308 F HA 0.377 4.904 4.527 -0.001 0.000 0.319 308 F C 0.785 176.593 175.800 0.013 0.000 1.113 308 F CA -0.521 57.505 58.000 0.044 0.000 1.056 308 F CB 0.566 39.603 39.000 0.062 0.000 1.289 308 F HN -0.280 nan 8.300 nan 0.000 0.515 309 R N 1.627 122.274 120.500 0.244 0.000 2.247 309 R HA 0.736 5.075 4.340 -0.001 0.000 0.329 309 R C -1.616 174.718 176.300 0.056 0.000 1.014 309 R CA -0.249 55.909 56.100 0.096 0.000 0.907 309 R CB 0.404 30.718 30.300 0.023 0.000 1.146 309 R HN 0.762 nan 8.270 nan 0.000 0.499 310 A N 3.741 126.607 122.820 0.076 0.000 2.556 310 A HA 0.747 5.066 4.320 -0.001 0.000 0.294 310 A C -1.811 175.939 177.584 0.278 0.000 1.091 310 A CA -0.685 51.424 52.037 0.120 0.000 0.704 310 A CB 1.258 20.343 19.000 0.141 0.000 1.300 310 A HN 0.782 nan 8.150 nan 0.000 0.406 311 Y N -1.797 118.815 120.300 0.520 0.000 2.852 311 Y HA 0.745 5.295 4.550 -0.001 0.000 0.350 311 Y C -1.781 174.436 175.900 0.528 0.000 1.272 311 Y CA -1.810 56.605 58.100 0.525 0.000 1.086 311 Y CB 0.419 38.972 38.460 0.154 0.000 1.408 311 Y HN 0.620 nan 8.280 nan 0.000 0.447 312 I N 1.799 122.887 120.570 0.864 0.000 2.582 312 I HA 0.692 4.862 4.170 -0.001 0.000 0.292 312 I C -1.005 175.362 176.117 0.416 0.000 1.066 312 I CA -0.870 60.727 61.300 0.495 0.000 1.053 312 I CB 2.354 40.543 38.000 0.315 0.000 1.241 312 I HN 0.653 nan 8.210 nan 0.000 0.421 313 S N 2.394 118.279 115.700 0.308 0.000 2.548 313 S HA 0.485 4.954 4.470 -0.001 0.000 0.286 313 S C -0.443 174.231 174.600 0.124 0.000 1.098 313 S CA -0.818 57.495 58.200 0.189 0.000 0.930 313 S CB 2.075 65.389 63.200 0.189 0.000 1.070 313 S HN 0.712 nan 8.310 nan 0.000 0.480 314 S N 0.975 116.723 115.700 0.080 0.000 2.489 314 S HA 0.602 5.072 4.470 -0.001 0.000 0.277 314 S C -0.316 174.306 174.600 0.037 0.000 1.230 314 S CA -0.624 57.606 58.200 0.049 0.000 1.053 314 S CB 0.369 63.584 63.200 0.024 0.000 0.955 314 S HN 0.453 nan 8.310 nan 0.000 0.488 315 V N 3.402 123.337 119.914 0.035 0.000 2.459 315 V HA 0.546 4.665 4.120 -0.001 0.000 0.295 315 V C 0.504 176.581 176.094 -0.028 0.000 1.029 315 V CA -0.763 61.554 62.300 0.029 0.000 0.874 315 V CB 1.606 33.468 31.823 0.065 0.000 0.985 315 V HN 1.063 nan 8.190 nan 0.000 0.438 316 T N 0.482 115.017 114.554 -0.032 0.000 2.744 316 T HA 0.506 4.855 4.350 -0.001 0.000 0.291 316 T C -0.317 174.367 174.700 -0.026 0.000 0.957 316 T CA -0.855 61.202 62.100 -0.071 0.000 1.002 316 T CB 1.099 69.936 68.868 -0.051 0.000 0.919 316 T HN 0.747 nan 8.240 nan 0.000 0.468 317 D N 2.819 123.200 120.400 -0.031 0.000 2.469 317 D HA 0.282 4.922 4.640 -0.001 0.000 0.278 317 D C 1.782 178.094 176.300 0.020 0.000 1.231 317 D CA -0.375 53.649 54.000 0.039 0.000 1.075 317 D CB -0.355 40.527 40.800 0.137 0.000 1.121 317 D HN 0.536 nan 8.370 nan 0.000 0.571 318 G N -1.119 107.701 108.800 0.033 0.000 2.475 318 G HA2 -0.227 3.733 3.960 -0.001 0.000 0.220 318 G HA3 -0.227 3.733 3.960 -0.001 0.000 0.220 318 G C 0.477 175.385 174.900 0.014 0.000 1.125 318 G CA 0.818 45.931 45.100 0.022 0.000 0.755 318 G HN 0.491 nan 8.290 nan 0.000 0.565 319 D N -0.187 120.222 120.400 0.016 0.000 2.491 319 D HA 0.335 4.974 4.640 -0.001 0.000 0.228 319 D C 1.611 177.904 176.300 -0.011 0.000 1.183 319 D CA 0.342 54.346 54.000 0.006 0.000 0.827 319 D CB -0.229 40.580 40.800 0.015 0.000 0.989 319 D HN 0.268 nan 8.370 nan 0.000 0.494 320 G N 1.385 110.172 108.800 -0.022 0.000 2.258 320 G HA2 -0.367 3.592 3.960 -0.001 0.000 0.274 320 G HA3 -0.367 3.592 3.960 -0.001 0.000 0.274 320 G C 0.397 175.252 174.900 -0.075 0.000 1.021 320 G CA 0.363 45.439 45.100 -0.041 0.000 0.798 320 G HN 0.390 nan 8.290 nan 0.000 0.507 321 K N 0.551 120.884 120.400 -0.112 0.000 2.211 321 K HA 0.530 4.850 4.320 -0.001 0.000 0.275 321 K C 0.157 176.480 176.600 -0.461 0.000 1.024 321 K CA -0.439 55.733 56.287 -0.192 0.000 0.887 321 K CB 0.598 33.039 32.500 -0.099 0.000 1.084 321 K HN 0.082 nan 8.250 nan 0.000 0.463 322 S N 3.402 118.876 115.700 -0.377 0.000 2.537 322 S HA 0.295 4.765 4.470 -0.001 0.000 0.275 322 S C -0.813 173.520 174.600 -0.446 0.000 1.272 322 S CA -0.727 57.242 58.200 -0.384 0.000 1.050 322 S CB 0.379 63.489 63.200 -0.149 0.000 0.961 322 S HN 0.494 nan 8.310 nan 0.000 0.496 323 H N 1.436 120.507 119.070 0.001 0.000 2.747 323 H HA 0.437 4.992 4.556 -0.001 0.000 0.371 323 H C -0.610 174.717 175.328 -0.001 0.000 1.161 323 H CA -0.914 55.131 56.048 -0.005 0.000 1.167 323 H CB 1.163 30.919 29.762 -0.012 0.000 1.732 323 H HN 0.450 nan 8.280 nan 0.000 0.544 324 K N 1.686 122.159 120.400 0.122 0.000 2.240 324 K HA 0.492 4.811 4.320 -0.001 0.000 0.271 324 K C -0.614 175.998 176.600 0.019 0.000 1.018 324 K CA -0.612 55.711 56.287 0.060 0.000 0.874 324 K CB 1.946 34.468 32.500 0.038 0.000 1.098 324 K HN 0.133 nan 8.250 nan 0.000 0.458 325 V N 1.524 121.441 119.914 0.004 0.000 2.715 325 V HA 0.510 4.630 4.120 -0.001 0.000 0.310 325 V C 0.257 176.238 176.094 -0.188 0.000 1.054 325 V CA -0.852 61.402 62.300 -0.076 0.000 0.928 325 V CB 2.077 33.884 31.823 -0.027 0.000 1.007 325 V HN 0.934 nan 8.190 nan 0.000 0.437 326 G N 2.205 110.723 108.800 -0.471 0.000 2.379 326 G HA2 0.628 4.588 3.960 -0.001 0.000 0.327 326 G HA3 0.628 4.588 3.960 -0.001 0.000 0.327 326 G C -1.336 173.231 174.900 -0.555 0.000 1.145 326 G CA -0.385 44.152 45.100 -0.938 0.000 0.905 326 G HN 0.590 nan 8.290 nan 0.000 0.466 327 F N 4.567 124.155 119.950 -0.602 0.000 2.427 327 F HA 0.625 5.152 4.527 -0.001 0.000 0.348 327 F C -0.829 174.798 175.800 -0.288 0.000 1.125 327 F CA -1.315 56.373 58.000 -0.520 0.000 0.989 327 F CB 1.255 39.695 39.000 -0.934 0.000 1.165 327 F HN 0.267 nan 8.300 nan 0.000 0.442 328 L N 8.012 129.492 121.223 0.427 0.000 2.410 328 L HA 0.573 4.912 4.340 -0.001 0.000 0.270 328 L C -1.660 175.403 176.870 0.322 0.000 0.983 328 L CA -0.633 54.388 54.840 0.302 0.000 0.822 328 L CB 1.950 44.113 42.059 0.173 0.000 1.285 328 L HN 0.823 nan 8.230 nan 0.000 0.409 329 R N 5.746 126.421 120.500 0.291 0.000 2.360 329 R HA 0.541 4.881 4.340 -0.001 0.000 0.318 329 R C -1.207 175.246 176.300 0.255 0.000 0.950 329 R CA -0.626 55.643 56.100 0.281 0.000 0.837 329 R CB 1.244 31.721 30.300 0.294 0.000 1.165 329 R HN 0.738 nan 8.270 nan 0.000 0.458 330 I N 8.610 129.266 120.570 0.143 0.000 2.281 330 I HA 0.194 4.363 4.170 -0.001 0.000 0.293 330 I C -1.323 174.778 176.117 -0.026 0.000 1.085 330 I CA -2.001 59.334 61.300 0.059 0.000 1.257 330 I CB 1.636 39.467 38.000 -0.282 0.000 1.430 330 I HN 0.515 nan 8.210 nan 0.000 0.489 331 P HA -0.046 nan 4.420 nan 0.000 0.214 331 P C 0.624 177.856 177.300 -0.113 0.000 1.162 331 P CA 1.068 64.165 63.100 -0.005 0.000 0.871 331 P CB 0.446 32.167 31.700 0.036 0.000 0.783 332 T N -2.601 111.862 114.554 -0.151 0.000 2.900 332 T HA 0.413 4.762 4.350 -0.001 0.000 0.303 332 T C -0.814 173.788 174.700 -0.163 0.000 1.142 332 T CA -0.488 61.502 62.100 -0.185 0.000 1.007 332 T CB 0.875 69.697 68.868 -0.076 0.000 1.156 332 T HN -0.182 nan 8.240 nan 0.000 0.490 333 Y N 1.868 122.218 120.300 0.083 0.000 2.493 333 Y HA 0.254 4.803 4.550 -0.001 0.000 0.275 333 Y C 1.709 177.719 175.900 0.183 0.000 1.183 333 Y CA -0.366 57.904 58.100 0.284 0.000 1.258 333 Y CB 0.581 39.140 38.460 0.165 0.000 1.108 333 Y HN 0.627 nan 8.280 nan 0.000 0.521 334 S N -0.397 115.354 115.700 0.085 0.000 2.460 334 S HA 0.004 4.474 4.470 -0.001 0.000 0.211 334 S C 1.195 175.562 174.600 -0.388 0.000 1.312 334 S CA -1.037 57.090 58.200 -0.122 0.000 1.256 334 S CB -1.065 62.136 63.200 0.002 0.000 1.086 334 S HN 0.582 nan 8.310 nan 0.000 0.507 335 W N 1.777 122.777 121.300 -0.500 0.000 2.200 335 W HA -0.399 4.261 4.660 -0.001 0.000 0.328 335 W C 1.040 177.251 176.519 -0.513 0.000 1.343 335 W CA 1.907 58.865 57.345 -0.645 0.000 1.379 335 W CB -1.430 27.431 29.460 -0.998 0.000 1.102 335 W HN 0.532 nan 8.180 nan 0.000 0.501 336 Q N 0.480 119.646 119.800 -1.057 0.000 2.152 336 Q HA -0.192 4.147 4.340 -0.001 0.000 0.206 336 Q C 1.659 177.573 176.000 -0.143 0.000 0.985 336 Q CA 2.204 57.643 55.803 -0.606 0.000 0.863 336 Q CB -0.417 27.904 28.738 -0.694 0.000 0.904 336 Q HN 0.408 nan 8.270 nan 0.000 0.422 337 D N -0.120 120.180 120.400 -0.168 0.000 2.355 337 D HA -0.007 4.633 4.640 -0.001 0.000 0.218 337 D C 0.508 176.805 176.300 -0.006 0.000 1.004 337 D CA 0.039 54.007 54.000 -0.053 0.000 0.880 337 D CB 0.011 40.797 40.800 -0.023 0.000 0.911 337 D HN 0.189 nan 8.370 nan 0.000 0.528 338 M N 1.759 121.320 119.600 -0.066 0.000 2.219 338 M HA -0.116 4.363 4.480 -0.001 0.000 0.340 338 M C 0.432 176.733 176.300 0.002 0.000 1.135 338 M CA 0.471 55.721 55.300 -0.084 0.000 0.976 338 M CB 0.522 32.971 32.600 -0.251 0.000 1.713 338 M HN -0.151 nan 8.290 nan 0.000 0.457 339 E N 3.545 123.741 120.200 -0.005 0.000 2.415 339 E HA -0.105 4.245 4.350 -0.001 0.000 0.263 339 E C -0.479 176.141 176.600 0.035 0.000 0.995 339 E CA 0.164 56.577 56.400 0.020 0.000 0.915 339 E CB 0.270 29.980 29.700 0.016 0.000 0.951 339 E HN 0.730 nan 8.360 nan 0.000 0.449 340 D N 2.529 122.956 120.400 0.045 0.000 2.723 340 D HA -0.255 4.385 4.640 -0.001 0.000 0.236 340 D C -0.895 175.467 176.300 0.104 0.000 1.138 340 D CA 0.746 54.773 54.000 0.043 0.000 0.676 340 D CB -1.248 39.564 40.800 0.021 0.000 1.069 340 D HN 0.259 nan 8.370 nan 0.000 0.430 341 F N 1.832 121.752 119.950 -0.049 0.000 2.411 341 F HA 0.343 4.869 4.527 -0.001 0.000 0.355 341 F C 0.079 175.863 175.800 -0.028 0.000 1.117 341 F CA -1.240 56.736 58.000 -0.041 0.000 1.139 341 F CB 0.891 39.871 39.000 -0.032 0.000 1.120 341 F HN -0.200 nan 8.300 nan 0.000 0.493 342 D N 9.019 129.161 120.400 -0.430 0.000 2.280 342 D HA 0.243 4.883 4.640 -0.001 0.000 0.236 342 D C -1.704 174.116 176.300 -0.800 0.000 1.082 342 D CA -1.950 51.750 54.000 -0.500 0.000 0.834 342 D CB 2.395 43.066 40.800 -0.216 0.000 1.100 342 D HN 0.317 nan 8.370 nan 0.000 0.486 343 P HA -0.180 nan 4.420 nan 0.000 0.214 343 P C 1.251 178.416 177.300 -0.226 0.000 1.163 343 P CA 1.114 63.908 63.100 -0.510 0.000 0.883 343 P CB 0.025 31.552 31.700 -0.289 0.000 0.788 344 S N -0.946 114.654 115.700 -0.166 0.000 2.493 344 S HA 0.014 4.484 4.470 -0.001 0.000 0.243 344 S C 1.454 176.013 174.600 -0.068 0.000 0.991 344 S CA 0.667 58.816 58.200 -0.086 0.000 0.957 344 S CB -1.347 61.810 63.200 -0.071 0.000 0.756 344 S HN 0.317 nan 8.310 nan 0.000 0.521 345 G N 2.102 110.845 108.800 -0.095 0.000 2.641 345 G HA2 0.570 4.529 3.960 -0.001 0.000 0.239 345 G HA3 0.570 4.529 3.960 -0.001 0.000 0.239 345 G C -2.707 172.181 174.900 -0.020 0.000 1.402 345 G CA -1.501 43.571 45.100 -0.048 0.000 1.046 345 G HN 0.358 nan 8.290 nan 0.000 0.565 346 P HA 0.294 nan 4.420 nan 0.000 0.284 346 P C -2.639 174.623 177.300 -0.063 0.000 1.253 346 P CA -1.190 61.884 63.100 -0.044 0.000 0.800 346 P CB 1.183 32.862 31.700 -0.036 0.000 0.961 347 P HA 0.067 nan 4.420 nan 0.000 0.267 347 P C -1.657 175.220 177.300 -0.705 0.000 1.205 347 P CA -1.243 61.405 63.100 -0.754 0.000 0.765 347 P CB -0.049 30.521 31.700 -1.883 0.000 0.828 348 P HA -0.191 nan 4.420 nan 0.000 0.218 348 P C 1.181 178.605 177.300 0.207 0.000 1.150 348 P CA 1.856 64.872 63.100 -0.139 0.000 0.841 348 P CB -0.466 31.066 31.700 -0.279 0.000 0.784 349 W N 0.680 122.061 121.300 0.136 0.000 2.595 349 W HA 0.123 4.783 4.660 -0.001 0.000 0.257 349 W C 1.765 178.387 176.519 0.173 0.000 1.267 349 W CA 0.475 57.941 57.345 0.201 0.000 1.300 349 W CB -1.494 28.008 29.460 0.071 0.000 1.120 349 W HN -0.016 nan 8.180 nan 0.000 0.618 350 E N 0.773 120.948 120.200 -0.042 0.000 2.076 350 E HA -0.193 4.157 4.350 -0.001 0.000 0.190 350 E C 2.016 178.682 176.600 0.109 0.000 0.979 350 E CA 1.271 57.703 56.400 0.054 0.000 0.807 350 E CB -0.191 29.460 29.700 -0.081 0.000 0.761 350 E HN 0.434 nan 8.360 nan 0.000 0.454 351 E N -0.024 120.257 120.200 0.135 0.000 2.153 351 E HA -0.204 4.145 4.350 -0.001 0.000 0.194 351 E C 1.703 178.405 176.600 0.170 0.000 0.988 351 E CA 0.671 57.175 56.400 0.174 0.000 0.811 351 E CB -0.061 29.789 29.700 0.250 0.000 0.746 351 E HN 0.190 nan 8.360 nan 0.000 0.466 352 F N 0.983 120.976 119.950 0.071 0.000 2.134 352 F HA -0.194 4.333 4.527 -0.001 0.000 0.299 352 F C 2.011 177.705 175.800 -0.175 0.000 1.097 352 F CA 1.482 59.344 58.000 -0.230 0.000 1.264 352 F CB -0.485 38.396 39.000 -0.197 0.000 1.001 352 F HN 0.072 nan 8.300 nan 0.000 0.479 353 A N 1.225 124.140 122.820 0.159 0.000 1.852 353 A HA -0.292 4.027 4.320 -0.001 0.000 0.217 353 A C 2.307 179.817 177.584 -0.123 0.000 1.215 353 A CA 2.364 54.407 52.037 0.009 0.000 0.641 353 A CB -1.000 18.018 19.000 0.029 0.000 0.838 353 A HN 0.359 nan 8.150 nan 0.000 0.450 354 K N -0.375 119.982 120.400 -0.071 0.000 2.049 354 K HA -0.236 4.083 4.320 -0.001 0.000 0.219 354 K C 1.902 178.380 176.600 -0.204 0.000 1.056 354 K CA 1.994 58.231 56.287 -0.083 0.000 0.946 354 K CB -1.008 31.486 32.500 -0.011 0.000 0.723 354 K HN 0.660 nan 8.250 nan 0.000 0.453 355 I N 1.169 121.554 120.570 -0.308 0.000 2.248 355 I HA -0.302 3.867 4.170 -0.001 0.000 0.248 355 I C 2.223 177.817 176.117 -0.872 0.000 1.107 355 I CA 1.018 61.963 61.300 -0.593 0.000 1.373 355 I CB -0.343 37.234 38.000 -0.704 0.000 1.055 355 I HN 0.100 nan 8.210 nan 0.000 0.418 356 I N 0.137 120.325 120.570 -0.636 0.000 2.233 356 I HA -0.232 3.937 4.170 -0.001 0.000 0.243 356 I C 2.516 178.520 176.117 -0.188 0.000 1.093 356 I CA 1.407 62.466 61.300 -0.403 0.000 1.380 356 I CB -1.589 36.267 38.000 -0.240 0.000 1.067 356 I HN 0.367 nan 8.210 nan 0.000 0.413 357 Q N 0.757 120.452 119.800 -0.175 0.000 2.029 357 Q HA -0.204 4.136 4.340 -0.001 0.000 0.209 357 Q C 2.481 178.408 176.000 -0.122 0.000 0.999 357 Q CA 2.228 57.970 55.803 -0.102 0.000 0.857 357 Q CB -0.318 28.369 28.738 -0.084 0.000 0.926 357 Q HN 0.370 nan 8.270 nan 0.000 0.415 358 V N 0.429 120.203 119.914 -0.233 0.000 2.332 358 V HA -0.257 3.863 4.120 -0.001 0.000 0.248 358 V C 1.982 177.966 176.094 -0.183 0.000 1.055 358 V CA 1.804 63.909 62.300 -0.325 0.000 1.038 358 V CB -0.739 30.680 31.823 -0.674 0.000 0.651 358 V HN 0.364 nan 8.190 nan 0.000 0.450 359 F N 0.315 120.089 119.950 -0.292 0.000 2.171 359 F HA -0.174 4.352 4.527 -0.001 0.000 0.300 359 F C 2.629 178.447 175.800 0.030 0.000 1.090 359 F CA 1.010 58.917 58.000 -0.155 0.000 1.293 359 F CB -0.165 38.741 39.000 -0.158 0.000 1.013 359 F HN 0.173 nan 8.300 nan 0.000 0.486 360 S N -0.787 115.046 115.700 0.223 0.000 2.423 360 S HA -0.124 4.345 4.470 -0.001 0.000 0.231 360 S C 1.773 176.374 174.600 0.002 0.000 1.014 360 S CA 1.124 59.385 58.200 0.101 0.000 0.965 360 S CB -0.095 63.138 63.200 0.054 0.000 0.785 360 S HN 0.178 nan 8.310 nan 0.000 0.495 361 S N 1.205 116.899 115.700 -0.011 0.000 2.523 361 S HA 0.232 4.702 4.470 -0.001 0.000 0.217 361 S C 0.529 175.105 174.600 -0.041 0.000 0.996 361 S CA -0.329 57.850 58.200 -0.035 0.000 0.921 361 S CB 0.155 63.329 63.200 -0.043 0.000 0.829 361 S HN 0.476 nan 8.310 nan 0.000 0.495 362 N N 1.381 120.055 118.700 -0.043 0.000 2.610 362 N HA 0.202 4.941 4.740 -0.001 0.000 0.307 362 N C -1.042 174.445 175.510 -0.037 0.000 1.813 362 N CA 0.112 53.129 53.050 -0.055 0.000 0.901 362 N CB 1.558 39.968 38.487 -0.128 0.000 1.354 362 N HN 0.010 nan 8.380 nan 0.000 0.491 363 T N -0.474 114.072 114.554 -0.013 0.000 2.957 363 T HA 0.205 4.554 4.350 -0.001 0.000 0.336 363 T C -0.185 174.512 174.700 -0.006 0.000 1.462 363 T CA -0.283 61.807 62.100 -0.017 0.000 1.073 363 T CB 2.172 71.030 68.868 -0.016 0.000 1.319 363 T HN 0.064 nan 8.240 nan 0.000 0.485 364 E N 0.547 120.740 120.200 -0.012 0.000 2.490 364 E HA 0.545 4.895 4.350 -0.001 0.000 0.209 364 E C 0.037 176.625 176.600 -0.019 0.000 0.971 364 E CA -0.220 56.157 56.400 -0.038 0.000 0.988 364 E CB 1.172 30.837 29.700 -0.058 0.000 1.029 364 E HN 0.646 nan 8.360 nan 0.000 0.496 365 A N 1.019 123.862 122.820 0.038 0.000 2.590 365 A HA 0.493 4.812 4.320 -0.001 0.000 0.294 365 A C -2.029 175.546 177.584 -0.015 0.000 1.046 365 A CA -0.647 51.430 52.037 0.067 0.000 0.684 365 A CB 1.023 20.011 19.000 -0.019 0.000 1.279 365 A HN 0.098 nan 8.150 nan 0.000 0.415 366 L N 2.812 124.003 121.223 -0.053 0.000 2.341 366 L HA 0.600 4.939 4.340 -0.001 0.000 0.278 366 L C -1.174 175.566 176.870 -0.218 0.000 1.005 366 L CA -0.893 53.767 54.840 -0.300 0.000 0.818 366 L CB 1.199 42.883 42.059 -0.625 0.000 1.259 366 L HN 0.653 nan 8.230 nan 0.000 0.418 367 I N 5.383 125.790 120.570 -0.271 0.000 2.359 367 I HA 0.300 4.470 4.170 -0.001 0.000 0.294 367 I C -0.336 175.610 176.117 -0.285 0.000 0.987 367 I CA -0.429 60.689 61.300 -0.304 0.000 1.225 367 I CB 1.669 39.383 38.000 -0.476 0.000 1.366 367 I HN 0.433 nan 8.210 nan 0.000 0.466 368 I N 5.354 125.822 120.570 -0.169 0.000 2.437 368 I HA 0.170 4.340 4.170 -0.001 0.000 0.279 368 I C -0.007 176.103 176.117 -0.012 0.000 1.028 368 I CA -0.490 60.795 61.300 -0.024 0.000 1.142 368 I CB 1.014 39.106 38.000 0.153 0.000 1.266 368 I HN 0.351 nan 8.210 nan 0.000 0.461 369 D N 5.262 125.658 120.400 -0.007 0.000 2.339 369 D HA 0.059 4.699 4.640 -0.001 0.000 0.256 369 D C 0.272 176.658 176.300 0.144 0.000 1.214 369 D CA 0.511 54.560 54.000 0.081 0.000 0.877 369 D CB 1.001 41.947 40.800 0.244 0.000 1.111 369 D HN 0.479 nan 8.370 nan 0.000 0.478 370 Q N 2.813 122.700 119.800 0.145 0.000 2.139 370 Q HA 0.066 4.405 4.340 -0.001 0.000 0.219 370 Q C -0.184 175.910 176.000 0.157 0.000 0.805 370 Q CA -0.229 55.657 55.803 0.139 0.000 1.024 370 Q CB 0.485 29.346 28.738 0.205 0.000 1.163 370 Q HN 0.675 nan 8.270 nan 0.000 0.485 371 T N -0.862 113.803 114.554 0.185 0.000 2.802 371 T HA 0.101 4.450 4.350 -0.001 0.000 0.305 371 T C 0.611 175.428 174.700 0.196 0.000 1.053 371 T CA -0.172 62.059 62.100 0.218 0.000 1.058 371 T CB 0.339 69.404 68.868 0.329 0.000 0.988 371 T HN 0.275 nan 8.240 nan 0.000 0.539 372 N N 0.484 119.299 118.700 0.192 0.000 2.710 372 N HA -0.175 4.564 4.740 -0.001 0.000 0.249 372 N C -0.757 174.779 175.510 0.044 0.000 1.059 372 N CA 0.644 53.777 53.050 0.138 0.000 0.720 372 N CB -1.554 37.019 38.487 0.144 0.000 0.983 372 N HN 0.722 nan 8.380 nan 0.000 0.544 373 N N 0.762 119.493 118.700 0.053 0.000 2.422 373 N HA 0.209 4.949 4.740 -0.001 0.000 0.266 373 N C -1.223 174.182 175.510 -0.175 0.000 1.007 373 N CA -1.777 51.242 53.050 -0.052 0.000 0.941 373 N CB 1.414 39.923 38.487 0.038 0.000 1.115 373 N HN 0.023 nan 8.380 nan 0.000 0.492 374 P HA 0.082 nan 4.420 nan 0.000 0.218 374 P C 0.539 177.560 177.300 -0.465 0.000 1.152 374 P CA 1.114 63.670 63.100 -0.907 0.000 0.826 374 P CB 0.769 31.215 31.700 -2.091 0.000 0.790 375 G N -1.698 106.942 108.800 -0.267 0.000 2.225 375 G HA2 0.357 4.316 3.960 -0.001 0.000 0.203 375 G HA3 0.357 4.316 3.960 -0.001 0.000 0.203 375 G C -0.212 174.724 174.900 0.060 0.000 1.335 375 G CA 0.138 45.232 45.100 -0.009 0.000 1.183 375 G HN 0.582 nan 8.290 nan 0.000 0.488 376 G N -1.329 107.495 108.800 0.041 0.000 2.384 376 G HA2 0.512 4.471 3.960 -0.001 0.000 0.150 376 G HA3 0.512 4.471 3.960 -0.001 0.000 0.150 376 G C -0.178 174.734 174.900 0.021 0.000 1.269 376 G CA 0.900 46.052 45.100 0.086 0.000 1.094 376 G HN 2.137 nan 8.290 nan 0.000 0.467 377 S N 0.127 115.878 115.700 0.084 0.000 2.452 377 S HA 0.461 4.931 4.470 -0.001 0.000 0.284 377 S C 1.798 176.272 174.600 -0.209 0.000 1.171 377 S CA 0.229 58.411 58.200 -0.029 0.000 1.064 377 S CB 1.107 64.370 63.200 0.106 0.000 0.967 377 S HN 1.282 nan 8.310 nan 0.000 0.484 378 V N 7.238 126.862 119.914 -0.484 0.000 2.250 378 V HA -0.278 3.842 4.120 -0.001 0.000 0.250 378 V C 2.305 177.791 176.094 -1.012 0.000 1.060 378 V CA 2.254 64.064 62.300 -0.817 0.000 1.030 378 V CB -1.274 29.912 31.823 -1.062 0.000 0.643 378 V HN 0.857 nan 8.190 nan 0.000 0.445 379 L N -1.242 119.377 121.223 -1.007 0.000 1.955 379 L HA -0.239 4.100 4.340 -0.001 0.000 0.213 379 L C 2.558 179.187 176.870 -0.402 0.000 1.072 379 L CA 2.527 56.826 54.840 -0.903 0.000 0.755 379 L CB -1.096 40.514 42.059 -0.749 0.000 0.888 379 L HN 0.370 nan 8.230 nan 0.000 0.432 380 Y N 0.939 121.057 120.300 -0.304 0.000 2.096 380 Y HA -0.340 4.210 4.550 -0.001 0.000 0.276 380 Y C 2.499 178.362 175.900 -0.061 0.000 1.209 380 Y CA 1.925 59.935 58.100 -0.151 0.000 1.137 380 Y CB -0.460 38.081 38.460 0.135 0.000 0.956 380 Y HN 0.106 nan 8.280 nan 0.000 0.506 381 L N -0.737 120.382 121.223 -0.174 0.000 2.079 381 L HA -0.276 4.063 4.340 -0.001 0.000 0.210 381 L C 1.935 178.769 176.870 -0.060 0.000 1.081 381 L CA 2.132 56.797 54.840 -0.293 0.000 0.752 381 L CB -1.322 40.435 42.059 -0.503 0.000 0.896 381 L HN 0.306 nan 8.230 nan 0.000 0.433 382 Y N 0.668 120.797 120.300 -0.285 0.000 2.109 382 Y HA -0.105 4.445 4.550 -0.001 0.000 0.285 382 Y C 2.882 178.753 175.900 -0.048 0.000 1.131 382 Y CA 0.825 58.804 58.100 -0.201 0.000 1.121 382 Y CB -1.465 36.731 38.460 -0.440 0.000 0.987 382 Y HN 0.276 nan 8.280 nan 0.000 0.495 383 A N 0.863 123.750 122.820 0.113 0.000 1.883 383 A HA -0.288 4.032 4.320 -0.001 0.000 0.222 383 A C 2.433 179.962 177.584 -0.092 0.000 1.339 383 A CA 2.657 54.711 52.037 0.028 0.000 0.692 383 A CB -1.409 17.449 19.000 -0.237 0.000 0.845 383 A HN 0.465 nan 8.150 nan 0.000 0.467 384 L N -1.098 119.903 121.223 -0.370 0.000 2.013 384 L HA -0.256 4.084 4.340 -0.001 0.000 0.212 384 L C 2.732 179.582 176.870 -0.033 0.000 1.073 384 L CA 1.616 56.149 54.840 -0.512 0.000 0.753 384 L CB -0.809 40.724 42.059 -0.877 0.000 0.890 384 L HN 0.432 nan 8.230 nan 0.000 0.432 385 L N -0.026 121.257 121.223 0.100 0.000 1.990 385 L HA -0.287 4.053 4.340 -0.001 0.000 0.213 385 L C 3.006 179.946 176.870 0.118 0.000 1.072 385 L CA 1.915 56.851 54.840 0.160 0.000 0.755 385 L CB -0.642 41.467 42.059 0.083 0.000 0.889 385 L HN 0.459 nan 8.230 nan 0.000 0.432 386 S N -0.120 115.657 115.700 0.127 0.000 2.380 386 S HA -0.300 4.169 4.470 -0.001 0.000 0.229 386 S C 1.898 176.593 174.600 0.158 0.000 1.043 386 S CA 1.813 60.098 58.200 0.142 0.000 1.038 386 S CB -0.534 62.757 63.200 0.153 0.000 0.872 386 S HN 0.412 nan 8.310 nan 0.000 0.456 387 M N 0.393 120.094 119.600 0.169 0.000 2.630 387 M HA 0.209 4.688 4.480 -0.001 0.000 0.254 387 M C 1.174 177.607 176.300 0.221 0.000 1.092 387 M CA 0.759 56.171 55.300 0.186 0.000 1.087 387 M CB -0.335 32.385 32.600 0.200 0.000 1.453 387 M HN 0.330 nan 8.290 nan 0.000 0.509 388 L N -0.917 120.438 121.223 0.219 0.000 2.640 388 L HA 0.156 4.496 4.340 -0.001 0.000 0.230 388 L C 0.755 177.725 176.870 0.166 0.000 1.123 388 L CA -0.001 54.975 54.840 0.227 0.000 0.900 388 L CB 0.308 42.507 42.059 0.233 0.000 1.146 388 L HN 0.055 nan 8.230 nan 0.000 0.484 389 T N -1.525 113.098 114.554 0.115 0.000 2.933 389 T HA 0.150 4.500 4.350 -0.001 0.000 0.305 389 T C 0.151 174.881 174.700 0.049 0.000 1.092 389 T CA -0.631 61.506 62.100 0.062 0.000 1.008 389 T CB 1.605 70.484 68.868 0.018 0.000 1.102 389 T HN 0.255 nan 8.240 nan 0.000 0.469 390 D N 3.003 123.416 120.400 0.022 0.000 2.354 390 D HA 0.028 4.667 4.640 -0.001 0.000 0.209 390 D C 0.612 176.917 176.300 0.009 0.000 1.015 390 D CA -0.105 53.903 54.000 0.013 0.000 0.867 390 D CB 0.448 41.242 40.800 -0.010 0.000 0.933 390 D HN 0.684 nan 8.370 nan 0.000 0.520 391 R N 0.631 121.129 120.500 -0.002 0.000 2.740 391 R HA 0.534 4.873 4.340 -0.001 0.000 0.282 391 R C -2.990 173.292 176.300 -0.029 0.000 0.969 391 R CA -1.898 54.195 56.100 -0.011 0.000 0.918 391 R CB 1.157 31.442 30.300 -0.025 0.000 1.175 391 R HN -0.246 nan 8.270 nan 0.000 0.464 392 P HA 0.002 nan 4.420 nan 0.000 0.267 392 P C -0.774 176.442 177.300 -0.139 0.000 1.200 392 P CA 0.022 63.044 63.100 -0.130 0.000 0.772 392 P CB 0.708 32.292 31.700 -0.193 0.000 0.855 393 L N 1.812 122.928 121.223 -0.178 0.000 2.333 393 L HA 0.340 4.680 4.340 -0.001 0.000 0.280 393 L C 0.861 177.614 176.870 -0.195 0.000 1.004 393 L CA -0.855 53.883 54.840 -0.171 0.000 0.820 393 L CB 1.477 43.432 42.059 -0.173 0.000 1.247 393 L HN 0.289 nan 8.230 nan 0.000 0.416 394 E N 4.023 124.125 120.200 -0.162 0.000 2.351 394 E HA 0.231 4.580 4.350 -0.001 0.000 0.266 394 E C -0.886 175.607 176.600 -0.179 0.000 1.031 394 E CA 0.127 56.437 56.400 -0.150 0.000 0.911 394 E CB 0.736 30.365 29.700 -0.120 0.000 0.986 394 E HN 0.437 nan 8.360 nan 0.000 0.446 395 L N 6.343 127.462 121.223 -0.174 0.000 2.344 395 L HA 0.497 4.836 4.340 -0.001 0.000 0.272 395 L C -1.756 175.031 176.870 -0.138 0.000 1.035 395 L CA -1.713 53.017 54.840 -0.184 0.000 0.807 395 L CB 1.579 43.526 42.059 -0.186 0.000 1.237 395 L HN 0.417 nan 8.230 nan 0.000 0.442 396 P HA 0.409 nan 4.420 nan 0.000 0.304 396 P C -1.678 175.556 177.300 -0.111 0.000 1.310 396 P CA -0.767 62.236 63.100 -0.161 0.000 0.796 396 P CB 1.429 32.979 31.700 -0.250 0.000 1.297 397 K N -0.803 119.516 120.400 -0.135 0.000 2.221 397 K HA 0.562 4.882 4.320 -0.001 0.000 0.243 397 K C -0.138 176.363 176.600 -0.165 0.000 0.968 397 K CA -0.720 55.529 56.287 -0.063 0.000 0.846 397 K CB 1.307 33.804 32.500 -0.004 0.000 1.141 397 K HN 0.504 nan 8.250 nan 0.000 0.434 398 H N 0.972 120.108 119.070 0.111 0.000 2.690 398 H HA 0.336 4.892 4.556 -0.001 0.000 0.368 398 H C -0.564 174.826 175.328 0.103 0.000 1.150 398 H CA -0.839 55.275 56.048 0.110 0.000 1.174 398 H CB 1.703 31.556 29.762 0.152 0.000 1.684 398 H HN 0.250 nan 8.280 nan 0.000 0.538 399 R N 2.790 123.424 120.500 0.223 0.000 2.207 399 R HA 0.337 4.677 4.340 -0.001 0.000 0.334 399 R C -0.178 176.214 176.300 0.154 0.000 1.013 399 R CA -0.522 55.667 56.100 0.148 0.000 0.858 399 R CB 0.849 31.212 30.300 0.104 0.000 1.094 399 R HN 0.503 nan 8.270 nan 0.000 0.457 400 M N 2.026 121.707 119.600 0.135 0.000 2.613 400 M HA 0.416 4.895 4.480 -0.001 0.000 0.301 400 M C -0.061 176.315 176.300 0.127 0.000 1.205 400 M CA -0.770 54.598 55.300 0.114 0.000 0.950 400 M CB 0.965 33.616 32.600 0.085 0.000 1.585 400 M HN 0.217 nan 8.290 nan 0.000 0.490 401 I N 2.397 123.060 120.570 0.155 0.000 2.412 401 I HA 0.304 4.474 4.170 -0.001 0.000 0.279 401 I C -1.010 175.272 176.117 0.274 0.000 1.063 401 I CA -0.065 61.378 61.300 0.239 0.000 1.193 401 I CB 0.105 38.327 38.000 0.370 0.000 1.370 401 I HN 0.436 nan 8.210 nan 0.000 0.479 402 L N 5.437 126.794 121.223 0.223 0.000 2.331 402 L HA 0.559 4.898 4.340 -0.001 0.000 0.278 402 L C 0.801 177.843 176.870 0.287 0.000 1.106 402 L CA -0.319 54.644 54.840 0.206 0.000 0.824 402 L CB 0.524 42.696 42.059 0.187 0.000 1.142 402 L HN 0.567 nan 8.230 nan 0.000 0.443 403 T N -2.014 112.651 114.554 0.185 0.000 2.910 403 T HA 0.188 4.538 4.350 -0.001 0.000 0.287 403 T C 0.729 175.424 174.700 -0.008 0.000 1.050 403 T CA -0.867 61.359 62.100 0.210 0.000 1.011 403 T CB 1.479 70.460 68.868 0.189 0.000 1.195 403 T HN 0.640 nan 8.240 nan 0.000 0.540 404 Q N 0.787 120.632 119.800 0.075 0.000 2.592 404 Q HA -0.175 4.164 4.340 -0.001 0.000 0.219 404 Q C 0.038 175.912 176.000 -0.209 0.000 0.984 404 Q CA 1.946 57.699 55.803 -0.083 0.000 0.911 404 Q CB -0.683 28.091 28.738 0.060 0.000 0.962 404 Q HN 0.884 nan 8.270 nan 0.000 0.532 405 D N -0.594 119.682 120.400 -0.207 0.000 2.474 405 D HA 0.064 4.703 4.640 -0.001 0.000 0.213 405 D C 0.876 176.931 176.300 -0.409 0.000 1.120 405 D CA -0.025 53.817 54.000 -0.264 0.000 0.836 405 D CB -0.005 40.687 40.800 -0.181 0.000 1.019 405 D HN 0.088 nan 8.370 nan 0.000 0.507 406 E N 0.917 120.821 120.200 -0.492 0.000 2.112 406 E HA -0.029 4.321 4.350 -0.001 0.000 0.190 406 E C 2.206 178.418 176.600 -0.647 0.000 0.979 406 E CA 0.447 56.361 56.400 -0.810 0.000 0.814 406 E CB -0.193 29.002 29.700 -0.843 0.000 0.762 406 E HN 0.084 nan 8.360 nan 0.000 0.460 407 V N 0.546 120.085 119.914 -0.624 0.000 2.220 407 V HA -0.333 3.787 4.120 -0.001 0.000 0.250 407 V C 2.234 178.045 176.094 -0.472 0.000 1.056 407 V CA 1.916 63.799 62.300 -0.695 0.000 1.016 407 V CB -1.043 30.153 31.823 -1.045 0.000 0.639 407 V HN 0.110 nan 8.190 nan 0.000 0.446 408 V N 0.585 120.247 119.914 -0.419 0.000 2.215 408 V HA -0.395 3.725 4.120 -0.001 0.000 0.249 408 V C 2.252 178.151 176.094 -0.325 0.000 1.054 408 V CA 2.700 64.813 62.300 -0.312 0.000 1.012 408 V CB -1.118 30.544 31.823 -0.270 0.000 0.639 408 V HN 0.542 nan 8.190 nan 0.000 0.448 409 D N 0.119 120.274 120.400 -0.407 0.000 2.172 409 D HA -0.195 4.444 4.640 -0.001 0.000 0.196 409 D C 2.070 178.055 176.300 -0.525 0.000 0.999 409 D CA 1.746 55.446 54.000 -0.500 0.000 0.856 409 D CB -0.390 40.094 40.800 -0.527 0.000 0.934 409 D HN 0.505 nan 8.370 nan 0.000 0.453 410 A N 0.341 122.969 122.820 -0.321 0.000 1.845 410 A HA -0.122 4.197 4.320 -0.001 0.000 0.215 410 A C 2.203 179.775 177.584 -0.019 0.000 1.195 410 A CA 1.045 53.056 52.037 -0.044 0.000 0.616 410 A CB -0.942 18.037 19.000 -0.035 0.000 0.832 410 A HN 0.242 nan 8.150 nan 0.000 0.443 411 L N -0.254 120.910 121.223 -0.098 0.000 2.270 411 L HA -0.236 4.104 4.340 -0.001 0.000 0.217 411 L C 1.715 178.570 176.870 -0.024 0.000 1.107 411 L CA 1.370 56.179 54.840 -0.052 0.000 0.772 411 L CB -0.715 41.283 42.059 -0.100 0.000 0.902 411 L HN 0.381 nan 8.230 nan 0.000 0.439 412 D N -0.930 119.410 120.400 -0.100 0.000 2.249 412 D HA -0.117 4.523 4.640 -0.001 0.000 0.205 412 D C 2.041 178.390 176.300 0.083 0.000 0.962 412 D CA 0.873 54.824 54.000 -0.082 0.000 0.860 412 D CB -0.012 40.652 40.800 -0.227 0.000 0.955 412 D HN 0.442 nan 8.370 nan 0.000 0.505 413 W N 1.138 122.517 121.300 0.130 0.000 2.381 413 W HA -0.045 4.614 4.660 -0.001 0.000 0.301 413 W C 2.273 178.866 176.519 0.123 0.000 1.205 413 W CA -0.010 57.434 57.345 0.165 0.000 1.285 413 W CB -0.171 29.424 29.460 0.226 0.000 1.133 413 W HN -0.058 nan 8.180 nan 0.000 0.521 414 L N -0.134 121.286 121.223 0.328 0.000 1.988 414 L HA -0.168 4.171 4.340 -0.001 0.000 0.207 414 L C 2.446 179.401 176.870 0.142 0.000 1.071 414 L CA 1.746 56.707 54.840 0.202 0.000 0.744 414 L CB -1.563 40.584 42.059 0.147 0.000 0.893 414 L HN -0.033 nan 8.230 nan 0.000 0.433 415 T N -2.094 112.523 114.554 0.105 0.000 3.440 415 T HA -0.081 4.268 4.350 -0.001 0.000 0.260 415 T C 1.035 175.791 174.700 0.094 0.000 1.188 415 T CA 0.710 62.856 62.100 0.076 0.000 1.020 415 T CB -0.218 68.675 68.868 0.042 0.000 0.963 415 T HN 0.294 nan 8.240 nan 0.000 0.556 416 L N -1.401 119.902 121.223 0.134 0.000 3.500 416 L HA 0.483 4.823 4.340 -0.001 0.000 0.320 416 L C 1.043 177.999 176.870 0.143 0.000 1.205 416 L CA 0.072 54.997 54.840 0.142 0.000 1.117 416 L CB 0.618 42.788 42.059 0.185 0.000 1.542 416 L HN 0.193 nan 8.230 nan 0.000 0.622 417 L N -0.730 120.580 121.223 0.145 0.000 2.966 417 L HA 0.227 4.567 4.340 -0.001 0.000 0.262 417 L C 1.522 178.445 176.870 0.088 0.000 1.165 417 L CA 0.145 55.056 54.840 0.118 0.000 0.978 417 L CB 0.685 42.825 42.059 0.135 0.000 1.337 417 L HN 0.210 nan 8.230 nan 0.000 0.563 418 E N 1.490 121.741 120.200 0.085 0.000 2.160 418 E HA -0.161 4.189 4.350 -0.001 0.000 0.195 418 E C 0.686 177.315 176.600 0.050 0.000 0.991 418 E CA 1.074 57.512 56.400 0.064 0.000 0.810 418 E CB 0.230 29.966 29.700 0.060 0.000 0.742 418 E HN 0.457 nan 8.360 nan 0.000 0.466 419 N N -0.019 118.711 118.700 0.050 0.000 2.914 419 N HA 0.172 4.911 4.740 -0.001 0.000 0.304 419 N C -1.803 173.730 175.510 0.038 0.000 1.727 419 N CA -0.366 52.707 53.050 0.039 0.000 0.986 419 N CB 1.645 40.154 38.487 0.037 0.000 1.297 419 N HN -0.140 nan 8.380 nan 0.000 0.490 420 V N 1.136 121.071 119.914 0.035 0.000 2.409 420 V HA 0.234 4.354 4.120 -0.001 0.000 0.290 420 V C -0.225 175.877 176.094 0.013 0.000 1.017 420 V CA -0.553 61.764 62.300 0.028 0.000 0.841 420 V CB 1.684 33.529 31.823 0.036 0.000 1.003 420 V HN 0.363 nan 8.190 nan 0.000 0.426 421 D N 1.841 122.245 120.400 0.008 0.000 2.716 421 D HA 0.078 4.718 4.640 -0.001 0.000 0.273 421 D C 1.043 177.336 176.300 -0.011 0.000 1.024 421 D CA 0.688 54.686 54.000 -0.003 0.000 0.944 421 D CB 0.847 41.647 40.800 -0.000 0.000 1.186 421 D HN 0.635 nan 8.370 nan 0.000 0.485 422 T N -0.572 113.978 114.554 -0.006 0.000 2.902 422 T HA 0.230 4.580 4.350 -0.001 0.000 0.283 422 T C 1.148 175.840 174.700 -0.013 0.000 1.009 422 T CA -0.712 61.380 62.100 -0.012 0.000 1.051 422 T CB 2.139 71.003 68.868 -0.007 0.000 0.999 422 T HN -0.221 nan 8.240 nan 0.000 0.474 423 N N 1.334 120.020 118.700 -0.023 0.000 2.064 423 N HA -0.198 4.541 4.740 -0.001 0.000 0.200 423 N C 2.080 177.583 175.510 -0.010 0.000 1.028 423 N CA 1.734 54.768 53.050 -0.026 0.000 0.880 423 N CB -1.086 37.379 38.487 -0.036 0.000 1.062 423 N HN 0.572 nan 8.380 nan 0.000 0.454 424 V N 1.502 121.413 119.914 -0.005 0.000 2.277 424 V HA -0.268 3.851 4.120 -0.001 0.000 0.253 424 V C 2.301 178.405 176.094 0.016 0.000 1.067 424 V CA 1.931 64.234 62.300 0.006 0.000 1.047 424 V CB -0.776 31.052 31.823 0.007 0.000 0.649 424 V HN 0.341 nan 8.190 nan 0.000 0.447 425 E N 0.189 120.398 120.200 0.015 0.000 2.097 425 E HA -0.197 4.152 4.350 -0.001 0.000 0.196 425 E C 2.365 178.984 176.600 0.033 0.000 1.000 425 E CA 1.699 58.114 56.400 0.025 0.000 0.804 425 E CB -0.164 29.549 29.700 0.022 0.000 0.740 425 E HN 0.697 nan 8.360 nan 0.000 0.454 426 S N 0.579 116.293 115.700 0.024 0.000 2.363 426 S HA -0.161 4.309 4.470 -0.001 0.000 0.218 426 S C 1.702 176.328 174.600 0.042 0.000 1.035 426 S CA 1.042 59.260 58.200 0.030 0.000 1.043 426 S CB -0.353 62.853 63.200 0.010 0.000 0.986 426 S HN 0.224 nan 8.310 nan 0.000 0.423 427 R N 0.621 121.140 120.500 0.031 0.000 2.397 427 R HA 0.030 4.370 4.340 -0.001 0.000 0.213 427 R C 1.253 177.584 176.300 0.050 0.000 1.102 427 R CA 0.345 56.468 56.100 0.039 0.000 1.040 427 R CB -0.237 30.077 30.300 0.024 0.000 0.844 427 R HN 0.211 nan 8.270 nan 0.000 0.478 428 L N -1.728 119.526 121.223 0.051 0.000 2.664 428 L HA 0.307 4.647 4.340 -0.001 0.000 0.233 428 L C 1.256 178.168 176.870 0.069 0.000 1.113 428 L CA 0.682 55.555 54.840 0.055 0.000 0.896 428 L CB 0.615 42.700 42.059 0.044 0.000 1.163 428 L HN -0.004 nan 8.230 nan 0.000 0.497 429 A N -0.972 121.895 122.820 0.078 0.000 2.042 429 A HA 0.241 4.560 4.320 -0.001 0.000 0.207 429 A C 1.809 179.468 177.584 0.125 0.000 1.598 429 A CA 0.414 52.511 52.037 0.100 0.000 0.818 429 A CB -0.326 18.734 19.000 0.101 0.000 1.169 429 A HN 0.219 nan 8.150 nan 0.000 0.548 430 L N -0.396 120.898 121.223 0.117 0.000 2.291 430 L HA 0.274 4.614 4.340 -0.001 0.000 0.214 430 L C 1.381 178.325 176.870 0.122 0.000 1.120 430 L CA 0.671 55.590 54.840 0.131 0.000 0.799 430 L CB -0.783 41.334 42.059 0.098 0.000 0.925 430 L HN 0.710 nan 8.230 nan 0.000 0.446 431 G N -0.235 108.625 108.800 0.100 0.000 2.566 431 G HA2 -0.205 3.754 3.960 -0.001 0.000 0.599 431 G HA3 -0.205 3.754 3.960 -0.001 0.000 0.599 431 G C -0.208 174.739 174.900 0.078 0.000 1.292 431 G CA -0.161 44.998 45.100 0.097 0.000 0.922 431 G HN 0.041 nan 8.290 nan 0.000 0.514 432 D N 0.598 121.047 120.400 0.081 0.000 2.117 432 D HA -0.029 4.611 4.640 -0.001 0.000 0.198 432 D C 1.199 177.529 176.300 0.050 0.000 0.982 432 D CA 1.992 56.029 54.000 0.063 0.000 0.828 432 D CB -0.017 40.831 40.800 0.079 0.000 0.967 432 D HN 0.723 nan 8.370 nan 0.000 0.464 433 N N -0.398 118.344 118.700 0.070 0.000 2.591 433 N HA 0.183 4.923 4.740 -0.001 0.000 0.263 433 N C -1.466 174.049 175.510 0.008 0.000 1.308 433 N CA -0.506 52.558 53.050 0.024 0.000 0.837 433 N CB 1.528 40.016 38.487 0.001 0.000 1.548 433 N HN -0.208 nan 8.380 nan 0.000 0.493 434 M N 0.927 120.500 119.600 -0.045 0.000 2.114 434 M HA 0.276 4.756 4.480 -0.001 0.000 0.332 434 M C -0.170 175.951 176.300 -0.298 0.000 1.014 434 M CA -0.303 54.951 55.300 -0.077 0.000 0.956 434 M CB 1.007 33.586 32.600 -0.034 0.000 1.551 434 M HN 0.594 nan 8.290 nan 0.000 0.427 435 E N 2.192 122.183 120.200 -0.348 0.000 2.162 435 E HA -0.294 4.056 4.350 -0.001 0.000 0.209 435 E C 0.974 176.743 176.600 -1.386 0.000 1.328 435 E CA 0.734 56.728 56.400 -0.677 0.000 0.712 435 E CB -1.280 28.367 29.700 -0.088 0.000 1.107 435 E HN 1.234 nan 8.360 nan 0.000 0.347 436 G N -0.406 107.142 108.800 -2.086 0.000 2.308 436 G HA2 -0.377 3.582 3.960 -0.001 0.000 0.221 436 G HA3 -0.377 3.582 3.960 -0.001 0.000 0.221 436 G C -0.054 174.441 174.900 -0.675 0.000 1.032 436 G CA 0.067 43.945 45.100 -2.037 0.000 0.623 436 G HN 0.382 nan 8.290 nan 0.000 0.506 437 Y N 3.817 123.831 120.300 -0.477 0.000 2.377 437 Y HA 0.465 5.014 4.550 -0.001 0.000 0.330 437 Y C 1.352 177.178 175.900 -0.124 0.000 1.108 437 Y CA 0.470 58.456 58.100 -0.190 0.000 1.308 437 Y CB 0.832 39.237 38.460 -0.091 0.000 1.216 437 Y HN 0.390 nan 8.280 nan 0.000 0.518 438 T N 3.358 117.660 114.554 -0.420 0.000 2.799 438 T HA 0.261 4.610 4.350 -0.001 0.000 0.296 438 T C -0.238 174.367 174.700 -0.160 0.000 0.947 438 T CA -0.894 61.033 62.100 -0.289 0.000 1.141 438 T CB 0.053 68.665 68.868 -0.425 0.000 0.891 438 T HN 0.427 nan 8.240 nan 0.000 0.533 439 V N 4.475 124.368 119.914 -0.035 0.000 2.421 439 V HA 0.200 4.319 4.120 -0.001 0.000 0.271 439 V C 0.623 176.699 176.094 -0.030 0.000 1.031 439 V CA -0.118 62.193 62.300 0.018 0.000 1.032 439 V CB -0.007 31.840 31.823 0.039 0.000 1.009 439 V HN 0.964 nan 8.190 nan 0.000 0.477 440 D N 2.793 123.173 120.400 -0.033 0.000 2.616 440 D HA 0.332 4.971 4.640 -0.001 0.000 0.260 440 D C 0.765 177.031 176.300 -0.056 0.000 1.158 440 D CA -0.657 53.301 54.000 -0.071 0.000 1.085 440 D CB 1.624 42.355 40.800 -0.116 0.000 1.222 440 D HN 0.285 nan 8.370 nan 0.000 0.626 441 L N 0.421 121.597 121.223 -0.078 0.000 2.127 441 L HA -0.027 4.312 4.340 -0.001 0.000 0.203 441 L C 2.019 178.828 176.870 -0.101 0.000 1.080 441 L CA 1.058 55.855 54.840 -0.072 0.000 0.768 441 L CB -0.297 41.716 42.059 -0.076 0.000 0.924 441 L HN 0.375 nan 8.230 nan 0.000 0.444 442 Q N -0.031 119.684 119.800 -0.142 0.000 2.217 442 Q HA -0.206 4.133 4.340 -0.001 0.000 0.209 442 Q C 1.842 177.765 176.000 -0.128 0.000 0.988 442 Q CA 2.540 58.222 55.803 -0.202 0.000 0.878 442 Q CB -0.544 28.051 28.738 -0.237 0.000 0.909 442 Q HN 0.519 nan 8.270 nan 0.000 0.424 443 V N 0.168 120.048 119.914 -0.058 0.000 2.244 443 V HA -0.262 3.857 4.120 -0.001 0.000 0.244 443 V C 2.260 178.322 176.094 -0.054 0.000 1.042 443 V CA 1.802 64.050 62.300 -0.088 0.000 1.006 443 V CB -1.437 30.375 31.823 -0.018 0.000 0.641 443 V HN 0.527 nan 8.190 nan 0.000 0.446 444 A N -0.319 122.478 122.820 -0.037 0.000 1.892 444 A HA -0.262 4.057 4.320 -0.001 0.000 0.218 444 A C 2.126 179.698 177.584 -0.020 0.000 1.188 444 A CA 1.938 53.966 52.037 -0.015 0.000 0.631 444 A CB -0.575 18.424 19.000 -0.001 0.000 0.822 444 A HN 0.536 nan 8.150 nan 0.000 0.447 445 E N -1.371 118.783 120.200 -0.077 0.000 2.333 445 E HA -0.168 4.182 4.350 -0.001 0.000 0.198 445 E C 1.547 178.072 176.600 -0.125 0.000 1.007 445 E CA 0.926 57.256 56.400 -0.116 0.000 0.845 445 E CB -0.279 29.302 29.700 -0.197 0.000 0.766 445 E HN 0.882 nan 8.360 nan 0.000 0.507 446 Y N 0.121 120.357 120.300 -0.107 0.000 2.205 446 Y HA -0.011 4.538 4.550 -0.001 0.000 0.292 446 Y C 2.449 178.352 175.900 0.005 0.000 1.119 446 Y CA 0.317 58.358 58.100 -0.098 0.000 1.117 446 Y CB -0.018 38.228 38.460 -0.357 0.000 1.037 446 Y HN -0.069 nan 8.280 nan 0.000 0.510 447 L N 0.373 121.672 121.223 0.127 0.000 2.081 447 L HA -0.305 4.034 4.340 -0.001 0.000 0.212 447 L C 2.014 178.980 176.870 0.160 0.000 1.080 447 L CA 1.819 56.660 54.840 0.002 0.000 0.754 447 L CB -0.570 41.336 42.059 -0.255 0.000 0.893 447 L HN 0.354 nan 8.230 nan 0.000 0.433 448 K N -0.785 119.704 120.400 0.149 0.000 2.031 448 K HA -0.130 4.189 4.320 -0.001 0.000 0.205 448 K C 2.186 178.904 176.600 0.195 0.000 1.049 448 K CA 1.375 57.766 56.287 0.174 0.000 0.939 448 K CB -0.273 32.291 32.500 0.105 0.000 0.717 448 K HN 0.035 nan 8.250 nan 0.000 0.438 449 S N 0.055 115.861 115.700 0.177 0.000 2.493 449 S HA -0.143 4.326 4.470 -0.001 0.000 0.243 449 S C 1.423 176.185 174.600 0.271 0.000 0.991 449 S CA 0.879 59.189 58.200 0.183 0.000 0.957 449 S CB -0.197 63.101 63.200 0.164 0.000 0.756 449 S HN 0.267 nan 8.310 nan 0.000 0.521 450 F N 1.519 121.552 119.950 0.139 0.000 2.208 450 F HA 0.292 4.819 4.527 -0.001 0.000 0.282 450 F C 2.379 178.294 175.800 0.190 0.000 1.071 450 F CA 1.070 59.155 58.000 0.142 0.000 1.228 450 F CB -1.106 37.957 39.000 0.105 0.000 1.088 450 F HN 0.188 nan 8.300 nan 0.000 0.512 451 G N 0.454 109.484 108.800 0.383 0.000 2.581 451 G HA2 -0.283 3.677 3.960 -0.001 0.000 0.223 451 G HA3 -0.283 3.677 3.960 -0.001 0.000 0.223 451 G C 1.732 176.698 174.900 0.110 0.000 1.094 451 G CA 1.091 46.364 45.100 0.287 0.000 0.736 451 G HN 0.297 nan 8.290 nan 0.000 0.588 452 R N -0.653 119.906 120.500 0.099 0.000 2.009 452 R HA 0.122 4.462 4.340 -0.001 0.000 0.213 452 R C 2.717 179.029 176.300 0.020 0.000 1.297 452 R CA 0.754 56.891 56.100 0.062 0.000 1.008 452 R CB -0.653 29.694 30.300 0.079 0.000 0.852 452 R HN 0.246 nan 8.270 nan 0.000 0.475 453 Q N 0.488 120.300 119.800 0.021 0.000 2.362 453 Q HA -0.269 4.071 4.340 -0.001 0.000 0.216 453 Q C 1.992 177.967 176.000 -0.040 0.000 1.002 453 Q CA 1.798 57.602 55.803 0.003 0.000 0.937 453 Q CB -0.478 28.272 28.738 0.020 0.000 0.937 453 Q HN 0.203 nan 8.270 nan 0.000 0.424 454 V N 0.781 120.626 119.914 -0.115 0.000 2.221 454 V HA -0.286 3.834 4.120 -0.001 0.000 0.240 454 V C 2.213 178.324 176.094 0.029 0.000 1.041 454 V CA 1.932 64.171 62.300 -0.103 0.000 0.991 454 V CB -0.719 31.011 31.823 -0.156 0.000 0.634 454 V HN 0.349 nan 8.190 nan 0.000 0.450 455 L N 0.539 121.776 121.223 0.023 0.000 2.051 455 L HA -0.282 4.057 4.340 -0.001 0.000 0.214 455 L C 2.468 179.453 176.870 0.193 0.000 1.076 455 L CA 2.316 57.224 54.840 0.114 0.000 0.758 455 L CB -1.072 41.021 42.059 0.057 0.000 0.890 455 L HN 0.494 nan 8.230 nan 0.000 0.433 456 N N 0.099 118.866 118.700 0.111 0.000 2.061 456 N HA -0.199 4.541 4.740 -0.001 0.000 0.193 456 N C 1.518 177.088 175.510 0.101 0.000 1.030 456 N CA 1.882 54.988 53.050 0.094 0.000 0.856 456 N CB -0.323 38.201 38.487 0.063 0.000 1.023 456 N HN 0.303 nan 8.380 nan 0.000 0.424 457 C N 0.014 119.377 119.300 0.105 0.000 2.551 457 C HA 0.148 4.607 4.460 -0.001 0.000 0.284 457 C C 1.512 176.599 174.990 0.161 0.000 1.329 457 C CA -0.604 58.474 59.018 0.100 0.000 1.683 457 C CB -2.094 25.693 27.740 0.078 0.000 1.730 457 C HN 0.669 nan 8.230 nan 0.000 0.591 458 W N -0.140 121.155 121.300 -0.009 0.000 3.008 458 W HA 0.222 4.881 4.660 -0.001 0.000 0.355 458 W C 1.038 177.553 176.519 -0.007 0.000 1.095 458 W CA 0.065 57.405 57.345 -0.009 0.000 1.738 458 W CB -0.163 29.286 29.460 -0.018 0.000 1.091 458 W HN 0.172 nan 8.180 nan 0.000 0.574 459 S N 0.665 116.335 115.700 -0.051 0.000 2.545 459 S HA 0.053 4.523 4.470 -0.001 0.000 0.232 459 S C 1.343 175.868 174.600 -0.124 0.000 1.070 459 S CA 0.201 58.315 58.200 -0.143 0.000 0.923 459 S CB 0.064 63.271 63.200 0.012 0.000 0.806 459 S HN 0.080 nan 8.310 nan 0.000 0.506 460 K N 1.621 121.987 120.400 -0.058 0.000 2.585 460 K HA 0.052 4.371 4.320 -0.001 0.000 0.194 460 K C 0.823 177.380 176.600 -0.073 0.000 1.037 460 K CA 0.411 56.669 56.287 -0.049 0.000 0.964 460 K CB -0.486 32.005 32.500 -0.016 0.000 0.787 460 K HN 0.444 nan 8.250 nan 0.000 0.488 461 G N 2.814 111.540 108.800 -0.124 0.000 2.350 461 G HA2 -0.256 3.704 3.960 -0.001 0.000 0.298 461 G HA3 -0.256 3.704 3.960 -0.001 0.000 0.298 461 G C -0.202 174.652 174.900 -0.077 0.000 1.037 461 G CA 0.679 45.700 45.100 -0.130 0.000 1.074 461 G HN 0.463 nan 8.290 nan 0.000 0.511 462 D N -0.840 119.528 120.400 -0.053 0.000 2.760 462 D HA 0.189 4.828 4.640 -0.001 0.000 0.314 462 D C 2.245 178.551 176.300 0.009 0.000 1.464 462 D CA 0.110 54.099 54.000 -0.018 0.000 0.797 462 D CB -0.240 40.555 40.800 -0.008 0.000 1.149 462 D HN 0.508 nan 8.370 nan 0.000 0.455 463 I N -1.691 118.881 120.570 0.004 0.000 2.236 463 I HA -0.217 3.952 4.170 -0.001 0.000 0.249 463 I C 1.585 177.745 176.117 0.070 0.000 1.102 463 I CA 1.235 62.568 61.300 0.055 0.000 1.365 463 I CB -0.138 37.892 38.000 0.050 0.000 1.051 463 I HN -0.061 nan 8.210 nan 0.000 0.420 464 E N 0.834 121.061 120.200 0.046 0.000 2.444 464 E HA -0.120 4.229 4.350 -0.001 0.000 0.204 464 E C 0.032 176.674 176.600 0.071 0.000 1.049 464 E CA 0.826 57.261 56.400 0.058 0.000 0.872 464 E CB -0.003 29.722 29.700 0.042 0.000 0.791 464 E HN 0.503 nan 8.360 nan 0.000 0.548 465 L N -0.253 121.009 121.223 0.065 0.000 3.566 465 L HA -0.047 4.293 4.340 -0.001 0.000 0.216 465 L C -0.552 176.350 176.870 0.054 0.000 1.010 465 L CA -0.027 54.852 54.840 0.064 0.000 1.341 465 L CB -0.154 41.929 42.059 0.041 0.000 1.688 465 L HN -0.074 nan 8.230 nan 0.000 0.708 466 S N 0.312 116.056 115.700 0.074 0.000 2.558 466 S HA 0.193 4.663 4.470 -0.001 0.000 0.291 466 S C 0.682 175.316 174.600 0.058 0.000 1.306 466 S CA 0.665 58.906 58.200 0.069 0.000 1.056 466 S CB 0.623 63.873 63.200 0.083 0.000 0.836 466 S HN 0.724 nan 8.310 nan 0.000 0.504 467 T N 4.233 118.817 114.554 0.049 0.000 2.906 467 T HA 0.135 4.485 4.350 -0.001 0.000 0.329 467 T C -2.194 172.543 174.700 0.061 0.000 1.091 467 T CA -1.016 61.114 62.100 0.049 0.000 1.127 467 T CB -0.316 68.585 68.868 0.054 0.000 1.035 467 T HN 0.711 nan 8.240 nan 0.000 0.547 468 P HA 0.145 nan 4.420 nan 0.000 0.263 468 P C -0.748 176.601 177.300 0.082 0.000 1.175 468 P CA 0.505 63.642 63.100 0.060 0.000 0.761 468 P CB 0.226 31.941 31.700 0.025 0.000 0.794 469 I N 3.818 124.461 120.570 0.122 0.000 2.802 469 I HA 0.326 4.496 4.170 -0.001 0.000 0.298 469 I C -2.491 173.766 176.117 0.233 0.000 1.176 469 I CA -2.871 58.530 61.300 0.169 0.000 1.025 469 I CB 3.199 41.298 38.000 0.166 0.000 1.243 469 I HN 0.132 nan 8.210 nan 0.000 0.424 470 P HA 0.233 nan 4.420 nan 0.000 0.285 470 P C -0.711 176.775 177.300 0.309 0.000 1.259 470 P CA -0.348 62.900 63.100 0.246 0.000 0.794 470 P CB 0.928 32.751 31.700 0.206 0.000 0.940 471 L N 4.738 126.124 121.223 0.271 0.000 2.615 471 L HA -0.027 4.312 4.340 -0.001 0.000 0.271 471 L C 0.615 177.452 176.870 -0.055 0.000 1.183 471 L CA 0.345 55.300 54.840 0.192 0.000 0.933 471 L CB -1.144 41.048 42.059 0.222 0.000 1.199 471 L HN 0.465 nan 8.230 nan 0.000 0.487 472 F N 1.992 121.128 119.950 -1.357 0.000 2.953 472 F HA -0.276 4.250 4.527 -0.001 0.000 0.292 472 F C 1.558 176.938 175.800 -0.701 0.000 0.747 472 F CA 1.000 57.995 58.000 -1.674 0.000 1.222 472 F CB -2.104 36.319 39.000 -0.962 0.000 1.457 472 F HN 0.787 nan 8.300 nan 0.000 0.383 473 G N -1.552 107.176 108.800 -0.119 0.000 2.396 473 G HA2 -0.384 3.575 3.960 -0.001 0.000 0.242 473 G HA3 -0.384 3.575 3.960 -0.001 0.000 0.242 473 G C 0.327 175.391 174.900 0.273 0.000 1.069 473 G CA -0.054 45.267 45.100 0.369 0.000 0.633 473 G HN 0.391 nan 8.290 nan 0.000 0.517 474 F N 2.407 122.119 119.950 -0.397 0.000 2.549 474 F HA 0.231 4.758 4.527 -0.001 0.000 0.400 474 F C 1.643 177.137 175.800 -0.510 0.000 1.011 474 F CA 1.082 58.447 58.000 -1.058 0.000 1.148 474 F CB 0.349 38.969 39.000 -0.632 0.000 0.993 474 F HN 0.305 nan 8.300 nan 0.000 0.540 475 E N 1.960 122.029 120.200 -0.219 0.000 2.400 475 E HA 0.000 4.350 4.350 -0.001 0.000 0.195 475 E C 0.160 176.738 176.600 -0.035 0.000 1.012 475 E CA 0.382 56.834 56.400 0.086 0.000 0.875 475 E CB 0.408 30.283 29.700 0.293 0.000 0.859 475 E HN 0.627 nan 8.360 nan 0.000 0.498 476 K N -0.278 120.044 120.400 -0.130 0.000 2.575 476 K HA 0.420 4.740 4.320 -0.001 0.000 0.279 476 K C -1.039 175.377 176.600 -0.306 0.000 0.969 476 K CA -0.680 55.476 56.287 -0.218 0.000 0.868 476 K CB 1.292 33.664 32.500 -0.213 0.000 1.457 476 K HN -0.177 nan 8.250 nan 0.000 0.426 477 I N 2.969 123.353 120.570 -0.310 0.000 2.325 477 I HA 0.175 4.344 4.170 -0.001 0.000 0.291 477 I C -0.179 175.852 176.117 -0.144 0.000 1.019 477 I CA -0.733 60.447 61.300 -0.200 0.000 1.302 477 I CB 0.604 38.448 38.000 -0.260 0.000 1.401 477 I HN 0.474 nan 8.210 nan 0.000 0.485 478 H N 7.718 126.871 119.070 0.137 0.000 2.527 478 H HA 0.255 4.811 4.556 -0.001 0.000 0.321 478 H C -2.049 173.286 175.328 0.011 0.000 1.087 478 H CA -1.710 54.377 56.048 0.064 0.000 1.337 478 H CB 1.131 30.929 29.762 0.060 0.000 1.440 478 H HN 0.325 nan 8.280 nan 0.000 0.490 479 P HA -0.135 nan 4.420 nan 0.000 0.263 479 P C 0.205 177.526 177.300 0.035 0.000 1.175 479 P CA 0.367 63.513 63.100 0.077 0.000 0.761 479 P CB 0.600 32.340 31.700 0.066 0.000 0.794 480 H N 6.724 125.779 119.070 -0.024 0.000 2.975 480 H HA 0.031 4.586 4.556 -0.001 0.000 0.303 480 H C -1.097 174.213 175.328 -0.029 0.000 1.023 480 H CA -1.323 54.690 56.048 -0.058 0.000 1.473 480 H CB 0.677 30.430 29.762 -0.016 0.000 1.498 480 H HN 0.303 nan 8.280 nan 0.000 0.549 481 P HA -0.138 nan 4.420 nan 0.000 0.221 481 P C 0.709 178.057 177.300 0.080 0.000 1.145 481 P CA 1.252 64.317 63.100 -0.059 0.000 0.795 481 P CB 0.533 32.140 31.700 -0.156 0.000 0.775 482 R N -0.199 120.487 120.500 0.311 0.000 2.076 482 R HA 0.151 4.491 4.340 -0.001 0.000 0.203 482 R C 0.670 177.078 176.300 0.180 0.000 1.229 482 R CA 0.388 56.639 56.100 0.252 0.000 1.094 482 R CB -0.338 30.134 30.300 0.288 0.000 0.991 482 R HN 0.028 nan 8.270 nan 0.000 0.471 483 V N 0.962 120.958 119.914 0.135 0.000 2.350 483 V HA 0.436 4.555 4.120 -0.001 0.000 0.276 483 V C -1.109 175.018 176.094 0.056 0.000 1.028 483 V CA -0.684 61.614 62.300 -0.004 0.000 0.860 483 V CB 1.216 32.956 31.823 -0.138 0.000 0.990 483 V HN 0.206 nan 8.190 nan 0.000 0.453 484 Q N 4.225 124.072 119.800 0.078 0.000 2.274 484 Q HA 0.379 4.718 4.340 -0.001 0.000 0.268 484 Q C -1.651 174.416 176.000 0.112 0.000 1.015 484 Q CA -0.585 55.280 55.803 0.104 0.000 0.775 484 Q CB 2.822 31.607 28.738 0.077 0.000 1.256 484 Q HN 0.882 nan 8.270 nan 0.000 0.442 485 Y N 2.462 122.781 120.300 0.030 0.000 2.600 485 Y HA 0.087 4.637 4.550 -0.001 0.000 0.351 485 Y C 0.828 176.734 175.900 0.009 0.000 1.042 485 Y CA -0.056 58.057 58.100 0.021 0.000 1.333 485 Y CB 0.524 39.009 38.460 0.042 0.000 1.172 485 Y HN 0.758 nan 8.280 nan 0.000 0.517 486 S N 2.654 118.177 115.700 -0.295 0.000 2.562 486 S HA 0.109 4.578 4.470 -0.001 0.000 0.221 486 S C 0.409 174.802 174.600 -0.345 0.000 0.975 486 S CA -0.011 58.045 58.200 -0.239 0.000 0.918 486 S CB -0.106 62.994 63.200 -0.168 0.000 0.772 486 S HN 0.532 nan 8.310 nan 0.000 0.531 487 K N 2.352 122.303 120.400 -0.748 0.000 2.090 487 K HA 0.374 4.693 4.320 -0.001 0.000 0.249 487 K C -2.777 173.734 176.600 -0.148 0.000 0.995 487 K CA -2.555 53.417 56.287 -0.525 0.000 0.914 487 K CB 0.043 32.144 32.500 -0.666 0.000 1.057 487 K HN 0.037 nan 8.250 nan 0.000 0.462 488 P HA -0.018 nan 4.420 nan 0.000 0.261 488 P C -0.708 176.689 177.300 0.162 0.000 1.183 488 P CA 0.789 63.918 63.100 0.049 0.000 0.761 488 P CB 0.364 32.055 31.700 -0.015 0.000 0.785 489 I N 2.897 123.539 120.570 0.119 0.000 2.693 489 I HA 0.415 4.584 4.170 -0.001 0.000 0.303 489 I C 0.001 176.125 176.117 0.012 0.000 1.025 489 I CA -0.840 60.504 61.300 0.074 0.000 1.086 489 I CB 2.319 40.367 38.000 0.080 0.000 1.268 489 I HN 0.377 nan 8.210 nan 0.000 0.440 490 C N 6.030 125.316 119.300 -0.023 0.000 2.432 490 C HA 0.672 5.131 4.460 -0.001 0.000 0.334 490 C C -0.531 174.442 174.990 -0.028 0.000 1.155 490 C CA -0.285 58.717 59.018 -0.027 0.000 1.335 490 C CB 0.417 28.123 27.740 -0.056 0.000 1.964 490 C HN 0.524 nan 8.230 nan 0.000 0.444 491 V N 6.989 126.906 119.914 0.006 0.000 2.539 491 V HA 0.502 4.622 4.120 -0.001 0.000 0.292 491 V C 0.008 176.122 176.094 0.033 0.000 1.045 491 V CA -0.412 61.915 62.300 0.046 0.000 0.945 491 V CB 1.678 33.552 31.823 0.085 0.000 0.993 491 V HN 0.777 nan 8.190 nan 0.000 0.464 492 L N 5.905 127.159 121.223 0.053 0.000 2.307 492 L HA 0.711 5.051 4.340 -0.001 0.000 0.284 492 L C -0.429 176.513 176.870 0.120 0.000 1.023 492 L CA -0.340 54.548 54.840 0.079 0.000 0.810 492 L CB 1.406 43.506 42.059 0.068 0.000 1.231 492 L HN 0.634 nan 8.230 nan 0.000 0.423 493 I N 0.581 121.213 120.570 0.103 0.000 2.865 493 I HA 0.618 4.787 4.170 -0.001 0.000 0.302 493 I C -1.165 174.980 176.117 0.048 0.000 1.140 493 I CA -0.655 60.701 61.300 0.093 0.000 1.021 493 I CB 2.349 40.392 38.000 0.071 0.000 1.233 493 I HN 0.750 nan 8.210 nan 0.000 0.427 494 N N 1.669 120.402 118.700 0.056 0.000 3.229 494 N HA 0.279 5.019 4.740 -0.001 0.000 0.315 494 N C -0.031 175.487 175.510 0.014 0.000 1.520 494 N CA -0.689 52.367 53.050 0.009 0.000 0.769 494 N CB 1.115 39.629 38.487 0.045 0.000 1.766 494 N HN 0.730 nan 8.380 nan 0.000 0.618 495 E N -0.354 119.851 120.200 0.007 0.000 2.526 495 E HA -0.140 4.209 4.350 -0.001 0.000 0.198 495 E C -0.161 176.435 176.600 -0.008 0.000 1.091 495 E CA 0.920 57.318 56.400 -0.004 0.000 0.880 495 E CB -0.290 29.430 29.700 0.033 0.000 0.873 495 E HN 0.630 nan 8.360 nan 0.000 0.527 496 Q N 0.916 120.771 119.800 0.092 0.000 2.318 496 Q HA 0.186 4.526 4.340 -0.001 0.000 0.371 496 Q C -1.065 175.189 176.000 0.423 0.000 0.896 496 Q CA -0.254 55.741 55.803 0.320 0.000 1.134 496 Q CB 0.750 29.704 28.738 0.360 0.000 1.329 496 Q HN 0.065 nan 8.270 nan 0.000 0.413 497 D N 0.544 121.046 120.400 0.169 0.000 2.440 497 D HA 0.300 4.940 4.640 -0.001 0.000 0.239 497 D C -0.763 175.629 176.300 0.154 0.000 1.084 497 D CA -0.143 54.003 54.000 0.243 0.000 0.843 497 D CB 0.811 41.697 40.800 0.144 0.000 1.097 497 D HN 0.025 nan 8.370 nan 0.000 0.531 498 F N 1.066 120.973 119.950 -0.072 0.000 2.470 498 F HA 0.598 5.125 4.527 -0.001 0.000 0.329 498 F C 1.446 177.238 175.800 -0.013 0.000 1.072 498 F CA -0.882 57.067 58.000 -0.085 0.000 0.989 498 F CB 0.769 39.672 39.000 -0.161 0.000 1.193 498 F HN 0.459 nan 8.300 nan 0.000 0.481 499 A N 0.741 123.695 122.820 0.223 0.000 5.328 499 A HA -0.375 3.944 4.320 -0.001 0.000 0.346 499 A C 2.151 179.762 177.584 0.045 0.000 1.675 499 A CA 2.201 54.327 52.037 0.147 0.000 0.717 499 A CB -1.997 17.083 19.000 0.135 0.000 1.467 499 A HN 0.945 nan 8.150 nan 0.000 0.409 500 C N -0.649 118.584 119.300 -0.112 0.000 2.381 500 C HA -0.098 4.362 4.460 -0.001 0.000 0.273 500 C C 3.240 178.200 174.990 -0.050 0.000 1.160 500 C CA 2.430 61.309 59.018 -0.231 0.000 1.817 500 C CB -2.158 25.381 27.740 -0.335 0.000 2.123 500 C HN 1.416 nan 8.230 nan 0.000 0.464 501 A N -0.402 122.497 122.820 0.131 0.000 2.019 501 A HA -0.234 4.086 4.320 -0.001 0.000 0.219 501 A C 2.104 179.837 177.584 0.250 0.000 1.164 501 A CA 2.062 54.273 52.037 0.290 0.000 0.644 501 A CB -0.560 18.609 19.000 0.280 0.000 0.805 501 A HN 0.741 nan 8.150 nan 0.000 0.449 502 D N -1.624 118.899 120.400 0.204 0.000 2.213 502 D HA -0.056 4.583 4.640 -0.001 0.000 0.205 502 D C 1.648 178.076 176.300 0.213 0.000 0.961 502 D CA 0.500 54.603 54.000 0.171 0.000 0.853 502 D CB -0.082 40.802 40.800 0.141 0.000 0.967 502 D HN 0.484 nan 8.370 nan 0.000 0.496 503 F N 0.109 120.059 119.950 0.000 0.000 2.084 503 F HA -0.159 4.368 4.527 -0.001 0.000 0.296 503 F C 2.217 178.014 175.800 -0.003 0.000 1.111 503 F CA 0.743 58.726 58.000 -0.028 0.000 1.224 503 F CB -0.344 38.619 39.000 -0.062 0.000 0.991 503 F HN -0.096 nan 8.300 nan 0.000 0.471 504 F N 2.100 122.084 119.950 0.058 0.000 2.039 504 F HA -0.276 4.251 4.527 -0.001 0.000 0.296 504 F C -0.544 175.257 175.800 0.003 0.000 1.119 504 F CA 2.067 60.075 58.000 0.012 0.000 1.211 504 F CB -2.014 37.049 39.000 0.105 0.000 0.956 504 F HN -0.113 nan 8.300 nan 0.000 0.496 505 P HA -0.204 nan 4.420 nan 0.000 0.208 505 P C 2.134 179.321 177.300 -0.189 0.000 1.195 505 P CA 2.411 65.436 63.100 -0.125 0.000 0.927 505 P CB -0.784 30.908 31.700 -0.013 0.000 0.778 506 V N 0.553 120.372 119.914 -0.158 0.000 2.242 506 V HA -0.291 3.829 4.120 -0.001 0.000 0.257 506 V C 2.539 178.480 176.094 -0.254 0.000 1.073 506 V CA 2.856 65.026 62.300 -0.216 0.000 1.058 506 V CB -1.316 30.341 31.823 -0.276 0.000 0.664 506 V HN -0.075 nan 8.190 nan 0.000 0.451 507 V N 0.003 119.740 119.914 -0.295 0.000 2.255 507 V HA -0.288 3.832 4.120 -0.001 0.000 0.247 507 V C 2.442 178.388 176.094 -0.245 0.000 1.051 507 V CA 2.613 64.743 62.300 -0.285 0.000 1.018 507 V CB -0.652 31.009 31.823 -0.269 0.000 0.641 507 V HN 0.621 nan 8.190 nan 0.000 0.445 508 L N -0.436 120.611 121.223 -0.293 0.000 2.353 508 L HA -0.175 4.165 4.340 -0.001 0.000 0.220 508 L C 2.418 179.194 176.870 -0.157 0.000 1.133 508 L CA 1.478 56.160 54.840 -0.262 0.000 0.798 508 L CB -0.480 41.342 42.059 -0.396 0.000 0.922 508 L HN 0.359 nan 8.230 nan 0.000 0.445 509 K N -0.154 120.155 120.400 -0.151 0.000 2.172 509 K HA -0.052 4.267 4.320 -0.001 0.000 0.203 509 K C 0.961 177.523 176.600 -0.063 0.000 1.040 509 K CA 0.506 56.748 56.287 -0.075 0.000 0.974 509 K CB 0.305 32.727 32.500 -0.129 0.000 0.857 509 K HN 0.084 nan 8.250 nan 0.000 0.464 510 D N 1.481 121.811 120.400 -0.116 0.000 2.370 510 D HA -0.043 4.596 4.640 -0.001 0.000 0.256 510 D C 0.282 176.519 176.300 -0.105 0.000 1.197 510 D CA 0.520 54.455 54.000 -0.110 0.000 0.922 510 D CB 0.093 40.804 40.800 -0.148 0.000 0.911 510 D HN 0.215 nan 8.370 nan 0.000 0.517 511 N N 0.059 118.703 118.700 -0.095 0.000 2.082 511 N HA -0.048 4.692 4.740 -0.001 0.000 0.228 511 N C -0.324 175.145 175.510 -0.069 0.000 1.341 511 N CA -0.063 52.933 53.050 -0.091 0.000 0.873 511 N CB 1.275 39.696 38.487 -0.111 0.000 1.137 511 N HN -0.139 nan 8.380 nan 0.000 0.505 512 D N -0.118 120.251 120.400 -0.051 0.000 3.079 512 D HA -0.192 4.448 4.640 -0.001 0.000 0.214 512 D C 1.517 177.789 176.300 -0.047 0.000 1.145 512 D CA 0.497 54.469 54.000 -0.046 0.000 0.958 512 D CB -0.445 40.320 40.800 -0.058 0.000 1.117 512 D HN 0.169 nan 8.370 nan 0.000 0.416 513 R N 0.386 120.854 120.500 -0.052 0.000 2.082 513 R HA 0.070 4.409 4.340 -0.001 0.000 0.234 513 R C 0.900 177.182 176.300 -0.029 0.000 1.136 513 R CA 2.143 58.214 56.100 -0.049 0.000 0.935 513 R CB -0.302 29.952 30.300 -0.077 0.000 0.842 513 R HN 0.359 nan 8.270 nan 0.000 0.430 514 A N -0.383 122.423 122.820 -0.022 0.000 2.437 514 A HA 0.549 4.869 4.320 -0.001 0.000 0.288 514 A C -1.167 176.468 177.584 0.085 0.000 1.201 514 A CA -0.685 51.355 52.037 0.005 0.000 0.795 514 A CB 1.199 20.183 19.000 -0.026 0.000 1.359 514 A HN 0.246 nan 8.150 nan 0.000 0.435 515 L N 1.185 122.461 121.223 0.089 0.000 2.272 515 L HA 0.513 4.853 4.340 -0.001 0.000 0.289 515 L C -1.548 175.441 176.870 0.198 0.000 1.032 515 L CA -0.697 54.276 54.840 0.222 0.000 0.810 515 L CB 0.742 42.850 42.059 0.081 0.000 1.205 515 L HN 0.579 nan 8.230 nan 0.000 0.422 516 I N 6.204 126.888 120.570 0.190 0.000 2.287 516 I HA 0.238 4.407 4.170 -0.001 0.000 0.290 516 I C 0.060 176.147 176.117 -0.050 0.000 1.069 516 I CA -0.033 61.209 61.300 -0.096 0.000 1.237 516 I CB 1.242 39.037 38.000 -0.342 0.000 1.418 516 I HN 0.185 nan 8.210 nan 0.000 0.481 517 V N 5.647 125.568 119.914 0.011 0.000 2.630 517 V HA 1.007 5.126 4.120 -0.001 0.000 0.305 517 V C 0.660 176.787 176.094 0.055 0.000 1.046 517 V CA 0.025 62.346 62.300 0.036 0.000 0.934 517 V CB 1.035 32.879 31.823 0.034 0.000 1.003 517 V HN 0.955 nan 8.190 nan 0.000 0.451 518 G N 3.146 111.985 108.800 0.065 0.000 2.249 518 G HA2 0.325 4.285 3.960 -0.001 0.000 0.089 518 G HA3 0.325 4.285 3.960 -0.001 0.000 0.089 518 G C -0.252 174.630 174.900 -0.030 0.000 1.206 518 G CA 0.399 45.524 45.100 0.041 0.000 1.190 518 G HN 1.339 nan 8.290 nan 0.000 0.454 519 T N -2.076 112.445 114.554 -0.054 0.000 2.843 519 T HA 0.678 5.027 4.350 -0.001 0.000 0.302 519 T C -0.091 174.588 174.700 -0.036 0.000 1.232 519 T CA 0.116 62.184 62.100 -0.054 0.000 1.009 519 T CB 2.192 71.006 68.868 -0.090 0.000 1.254 519 T HN 1.011 nan 8.240 nan 0.000 0.504 520 R N 1.516 122.001 120.500 -0.025 0.000 2.523 520 R HA 0.169 4.508 4.340 -0.001 0.000 0.281 520 R C 0.629 176.912 176.300 -0.028 0.000 0.969 520 R CA 0.532 56.619 56.100 -0.021 0.000 1.093 520 R CB -0.136 30.163 30.300 -0.001 0.000 0.917 520 R HN 0.918 nan 8.270 nan 0.000 0.408 521 T N 1.551 116.083 114.554 -0.038 0.000 2.828 521 T HA 0.283 4.633 4.350 -0.001 0.000 0.290 521 T C 1.566 176.191 174.700 -0.124 0.000 1.019 521 T CA -0.304 61.759 62.100 -0.061 0.000 1.031 521 T CB 1.465 70.312 68.868 -0.034 0.000 1.001 521 T HN 0.660 nan 8.240 nan 0.000 0.531 522 A N 1.753 124.403 122.820 -0.283 0.000 1.903 522 A HA 0.343 4.662 4.320 -0.001 0.000 0.219 522 A C 1.510 178.917 177.584 -0.296 0.000 1.191 522 A CA 2.003 53.697 52.037 -0.573 0.000 0.638 522 A CB -1.365 16.766 19.000 -1.449 0.000 0.823 522 A HN 1.722 nan 8.150 nan 0.000 0.451 523 G N -3.328 105.377 108.800 -0.158 0.000 2.609 523 G HA2 0.572 4.531 3.960 -0.001 0.000 0.082 523 G HA3 0.572 4.531 3.960 -0.001 0.000 0.082 523 G C -0.495 174.420 174.900 0.024 0.000 1.075 523 G CA 0.139 45.243 45.100 0.006 0.000 1.172 523 G HN 1.280 nan 8.290 nan 0.000 0.532 524 A N -0.704 122.151 122.820 0.059 0.000 2.346 524 A HA 0.909 5.229 4.320 -0.001 0.000 0.313 524 A C 0.869 178.514 177.584 0.101 0.000 1.140 524 A CA 0.624 52.697 52.037 0.060 0.000 0.826 524 A CB 0.974 19.953 19.000 -0.033 0.000 1.332 524 A HN 1.928 nan 8.150 nan 0.000 0.457 525 G N -0.782 108.123 108.800 0.175 0.000 2.529 525 G HA2 0.579 4.538 3.960 -0.001 0.000 0.234 525 G HA3 0.579 4.538 3.960 -0.001 0.000 0.234 525 G C 0.547 175.323 174.900 -0.207 0.000 1.527 525 G CA 0.013 45.111 45.100 -0.003 0.000 1.062 525 G HN 2.271 nan 8.290 nan 0.000 0.558 526 G N -2.488 106.082 108.800 -0.383 0.000 2.634 526 G HA2 0.226 4.186 3.960 -0.001 0.000 0.568 526 G HA3 0.226 4.186 3.960 -0.001 0.000 0.568 526 G C -0.756 173.980 174.900 -0.274 0.000 1.495 526 G CA -0.892 43.955 45.100 -0.422 0.000 0.903 526 G HN 0.496 nan 8.290 nan 0.000 0.646 527 F N 1.172 120.957 119.950 -0.274 0.000 2.484 527 F HA 0.457 4.983 4.527 -0.001 0.000 0.360 527 F C 1.501 177.253 175.800 -0.080 0.000 1.101 527 F CA 0.011 57.913 58.000 -0.163 0.000 1.251 527 F CB 1.403 40.285 39.000 -0.196 0.000 1.132 527 F HN 0.503 nan 8.300 nan 0.000 0.570 528 V N 1.541 121.597 119.914 0.237 0.000 2.713 528 V HA 0.406 4.525 4.120 -0.001 0.000 0.307 528 V C -0.652 175.524 176.094 0.137 0.000 1.052 528 V CA -0.943 61.486 62.300 0.216 0.000 0.967 528 V CB 1.723 33.701 31.823 0.258 0.000 1.019 528 V HN 0.633 nan 8.190 nan 0.000 0.459 529 F N 2.661 122.714 119.950 0.172 0.000 2.318 529 F HA 0.430 4.957 4.527 -0.001 0.000 0.356 529 F C 0.851 176.720 175.800 0.115 0.000 1.109 529 F CA -0.720 57.361 58.000 0.136 0.000 1.234 529 F CB 0.522 39.603 39.000 0.134 0.000 1.545 529 F HN 0.571 nan 8.300 nan 0.000 0.534 530 N N 3.314 122.194 118.700 0.300 0.000 2.410 530 N HA 0.025 4.764 4.740 -0.001 0.000 0.281 530 N C -0.485 175.133 175.510 0.181 0.000 1.241 530 N CA 0.174 53.344 53.050 0.199 0.000 0.998 530 N CB 1.063 39.642 38.487 0.152 0.000 1.376 530 N HN 0.137 nan 8.380 nan 0.000 0.490 531 V N 2.842 122.852 119.914 0.160 0.000 2.364 531 V HA 0.134 4.254 4.120 -0.001 0.000 0.272 531 V C 0.441 176.610 176.094 0.125 0.000 1.036 531 V CA -0.507 61.880 62.300 0.145 0.000 0.880 531 V CB 1.238 33.145 31.823 0.140 0.000 0.991 531 V HN 0.476 nan 8.190 nan 0.000 0.460 532 Q N 4.005 123.861 119.800 0.094 0.000 2.180 532 Q HA 0.878 5.218 4.340 -0.001 0.000 0.241 532 Q C -0.881 175.181 176.000 0.104 0.000 0.970 532 Q CA -0.329 55.470 55.803 -0.008 0.000 0.919 532 Q CB 2.112 30.846 28.738 -0.007 0.000 1.222 532 Q HN 0.736 nan 8.270 nan 0.000 0.482 533 F N -2.311 117.539 119.950 -0.167 0.000 2.735 533 F HA 0.351 4.877 4.527 -0.001 0.000 0.316 533 F C -3.049 172.615 175.800 -0.226 0.000 1.093 533 F CA -1.870 56.000 58.000 -0.216 0.000 0.989 533 F CB 0.070 38.812 39.000 -0.430 0.000 1.246 533 F HN 0.344 nan 8.300 nan 0.000 0.463 534 P HA 0.339 nan 4.420 nan 0.000 0.268 534 P C -1.350 175.947 177.300 -0.006 0.000 1.204 534 P CA 0.162 63.246 63.100 -0.028 0.000 0.768 534 P CB 1.276 33.017 31.700 0.069 0.000 0.842 535 N N 1.144 119.791 118.700 -0.089 0.000 2.927 535 N HA 0.274 5.013 4.740 -0.001 0.000 0.248 535 N C 0.107 175.611 175.510 -0.011 0.000 1.443 535 N CA -0.945 52.089 53.050 -0.027 0.000 0.870 535 N CB 0.934 39.347 38.487 -0.123 0.000 1.444 535 N HN -0.008 nan 8.380 nan 0.000 0.519 536 R N -0.678 119.839 120.500 0.028 0.000 2.359 536 R HA 0.275 4.615 4.340 -0.001 0.000 0.231 536 R C -0.187 176.136 176.300 0.038 0.000 0.913 536 R CA 0.204 56.326 56.100 0.036 0.000 1.075 536 R CB -0.267 30.061 30.300 0.047 0.000 1.087 536 R HN 0.765 nan 8.270 nan 0.000 0.515 537 T N -0.233 114.337 114.554 0.026 0.000 3.293 537 T HA 0.152 4.501 4.350 -0.001 0.000 0.276 537 T C 0.464 175.207 174.700 0.071 0.000 1.003 537 T CA 0.299 62.435 62.100 0.059 0.000 0.916 537 T CB 0.625 69.544 68.868 0.085 0.000 1.134 537 T HN 0.432 nan 8.240 nan 0.000 0.530 538 G N 2.502 111.315 108.800 0.020 0.000 2.412 538 G HA2 -0.247 3.712 3.960 -0.001 0.000 0.297 538 G HA3 -0.247 3.712 3.960 -0.001 0.000 0.297 538 G C 0.004 174.761 174.900 -0.239 0.000 0.965 538 G CA -0.010 45.084 45.100 -0.010 0.000 1.134 538 G HN 0.672 nan 8.290 nan 0.000 0.511 539 I N 0.030 120.306 120.570 -0.490 0.000 2.306 539 I HA 0.192 4.362 4.170 -0.001 0.000 0.288 539 I C 1.471 176.970 176.117 -1.031 0.000 1.036 539 I CA -0.543 60.274 61.300 -0.806 0.000 1.221 539 I CB 1.356 38.878 38.000 -0.796 0.000 1.385 539 I HN 0.286 nan 8.210 nan 0.000 0.472 540 K N 4.085 123.757 120.400 -1.213 0.000 2.097 540 K HA -0.024 4.295 4.320 -0.001 0.000 0.206 540 K C 0.010 176.284 176.600 -0.544 0.000 1.049 540 K CA 1.243 56.861 56.287 -1.115 0.000 0.933 540 K CB 0.324 32.399 32.500 -0.709 0.000 0.717 540 K HN 0.671 nan 8.250 nan 0.000 0.442 541 T N -1.154 113.097 114.554 -0.506 0.000 2.893 541 T HA 0.204 4.553 4.350 -0.001 0.000 0.337 541 T C -2.030 172.524 174.700 -0.243 0.000 1.587 541 T CA -0.816 61.107 62.100 -0.296 0.000 1.066 541 T CB 1.436 70.226 68.868 -0.130 0.000 1.414 541 T HN 0.233 nan 8.240 nan 0.000 0.488 542 C N 3.039 122.286 119.300 -0.089 0.000 2.481 542 C HA 0.868 5.328 4.460 -0.001 0.000 0.324 542 C C -0.881 174.121 174.990 0.021 0.000 1.170 542 C CA -0.236 58.757 59.018 -0.041 0.000 1.361 542 C CB -0.117 27.657 27.740 0.056 0.000 1.977 542 C HN 0.952 nan 8.230 nan 0.000 0.459 543 S N 6.409 122.109 115.700 -0.001 0.000 2.557 543 S HA 0.805 5.275 4.470 -0.001 0.000 0.291 543 S C -1.101 173.546 174.600 0.078 0.000 1.116 543 S CA -0.706 57.545 58.200 0.085 0.000 0.992 543 S CB 1.187 64.451 63.200 0.106 0.000 1.028 543 S HN 0.799 nan 8.310 nan 0.000 0.484 544 L N 1.645 122.996 121.223 0.214 0.000 2.354 544 L HA 0.563 4.902 4.340 -0.001 0.000 0.269 544 L C 0.053 177.186 176.870 0.439 0.000 1.005 544 L CA -1.049 53.972 54.840 0.302 0.000 0.819 544 L CB 1.821 44.069 42.059 0.316 0.000 1.311 544 L HN 0.599 nan 8.230 nan 0.000 0.423 545 T N 0.915 115.744 114.554 0.459 0.000 2.933 545 T HA 0.063 4.412 4.350 -0.001 0.000 0.306 545 T C 1.002 175.809 174.700 0.179 0.000 1.045 545 T CA 0.373 62.604 62.100 0.219 0.000 1.143 545 T CB 1.226 70.118 68.868 0.040 0.000 1.003 545 T HN 0.915 nan 8.240 nan 0.000 0.540 546 G N 1.986 110.841 108.800 0.091 0.000 2.662 546 G HA2 0.253 4.212 3.960 -0.001 0.000 0.207 546 G HA3 0.253 4.212 3.960 -0.001 0.000 0.207 546 G C 0.464 175.381 174.900 0.029 0.000 1.154 546 G CA 0.088 45.208 45.100 0.033 0.000 0.837 546 G HN 0.819 nan 8.290 nan 0.000 0.580 547 S N -0.746 114.965 115.700 0.019 0.000 2.638 547 S HA 0.789 5.259 4.470 -0.001 0.000 0.302 547 S C -1.063 173.571 174.600 0.055 0.000 1.096 547 S CA -0.795 57.440 58.200 0.057 0.000 0.953 547 S CB 2.159 65.420 63.200 0.102 0.000 1.107 547 S HN 0.089 nan 8.310 nan 0.000 0.503 548 L N 1.458 122.798 121.223 0.195 0.000 2.341 548 L HA 0.730 5.070 4.340 -0.001 0.000 0.278 548 L C 0.296 177.337 176.870 0.284 0.000 1.005 548 L CA -1.046 53.902 54.840 0.179 0.000 0.818 548 L CB 1.824 43.947 42.059 0.107 0.000 1.259 548 L HN 0.971 nan 8.230 nan 0.000 0.418 549 A N 3.107 126.007 122.820 0.134 0.000 2.388 549 A HA 0.645 4.965 4.320 -0.001 0.000 0.257 549 A C -0.226 177.280 177.584 -0.131 0.000 1.095 549 A CA -0.236 51.675 52.037 -0.209 0.000 0.791 549 A CB 0.888 19.807 19.000 -0.135 0.000 1.029 549 A HN 0.660 nan 8.150 nan 0.000 0.489 550 V N 0.800 120.623 119.914 -0.152 0.000 3.202 550 V HA 0.748 4.868 4.120 -0.001 0.000 0.306 550 V C -0.007 176.035 176.094 -0.087 0.000 1.283 550 V CA -0.963 61.297 62.300 -0.066 0.000 1.065 550 V CB 1.564 33.378 31.823 -0.015 0.000 1.079 550 V HN 1.132 nan 8.190 nan 0.000 0.448 551 R N -0.699 119.773 120.500 -0.046 0.000 2.722 551 R HA 0.448 4.788 4.340 -0.001 0.000 0.210 551 R C 1.549 177.814 176.300 -0.060 0.000 1.453 551 R CA 0.319 56.386 56.100 -0.055 0.000 0.964 551 R CB 0.372 30.656 30.300 -0.027 0.000 2.311 551 R HN 0.988 nan 8.270 nan 0.000 0.517 552 E N 0.530 120.701 120.200 -0.048 0.000 2.517 552 E HA -0.289 4.060 4.350 -0.001 0.000 0.251 552 E C 0.409 176.925 176.600 -0.140 0.000 0.990 552 E CA 1.833 58.196 56.400 -0.061 0.000 1.133 552 E CB -0.375 29.333 29.700 0.013 0.000 1.088 552 E HN 0.377 nan 8.360 nan 0.000 0.516 553 H N -0.748 118.308 119.070 -0.023 0.000 2.380 553 H HA 0.298 4.853 4.556 -0.001 0.000 0.231 553 H C 0.486 175.786 175.328 -0.047 0.000 1.415 553 H CA 0.424 56.455 56.048 -0.029 0.000 1.433 553 H CB 0.671 30.419 29.762 -0.024 0.000 1.544 553 H HN 0.538 nan 8.280 nan 0.000 0.503 554 G N 1.546 110.367 108.800 0.034 0.000 2.212 554 G HA2 -0.381 3.579 3.960 -0.001 0.000 0.266 554 G HA3 -0.381 3.579 3.960 -0.001 0.000 0.266 554 G C 1.243 176.127 174.900 -0.026 0.000 0.978 554 G CA 0.315 45.400 45.100 -0.025 0.000 0.632 554 G HN 0.722 nan 8.290 nan 0.000 0.537 555 A N 0.216 123.052 122.820 0.027 0.000 2.003 555 A HA 0.173 4.493 4.320 -0.001 0.000 0.206 555 A C 1.284 178.973 177.584 0.176 0.000 1.663 555 A CA 1.382 53.465 52.037 0.077 0.000 1.889 555 A CB -1.641 17.396 19.000 0.061 0.000 0.639 555 A HN 1.487 nan 8.150 nan 0.000 0.701 556 F N -1.332 118.626 119.950 0.012 0.000 2.868 556 F HA -0.272 4.255 4.527 -0.001 0.000 0.228 556 F C 0.563 176.288 175.800 -0.125 0.000 1.030 556 F CA 0.013 58.005 58.000 -0.013 0.000 0.775 556 F CB -0.823 38.274 39.000 0.161 0.000 0.682 556 F HN 0.453 nan 8.300 nan 0.000 0.742 557 I N 0.447 121.017 120.570 0.001 0.000 3.614 557 I HA -0.327 3.842 4.170 -0.001 0.000 0.126 557 I C 1.529 177.535 176.117 -0.186 0.000 0.995 557 I CA 1.515 62.710 61.300 -0.174 0.000 2.744 557 I CB -0.742 37.053 38.000 -0.342 0.000 1.219 557 I HN 0.438 nan 8.210 nan 0.000 0.343 558 E N 6.483 126.742 120.200 0.099 0.000 2.015 558 E HA -0.102 4.248 4.350 -0.001 0.000 0.191 558 E C 0.706 177.353 176.600 0.079 0.000 0.991 558 E CA 1.479 58.041 56.400 0.269 0.000 0.802 558 E CB 0.131 29.943 29.700 0.188 0.000 0.759 558 E HN 0.632 nan 8.360 nan 0.000 0.447 559 N N 0.957 119.652 118.700 -0.009 0.000 2.497 559 N HA 0.114 4.853 4.740 -0.001 0.000 0.268 559 N C -0.483 174.954 175.510 -0.122 0.000 1.171 559 N CA 0.205 53.223 53.050 -0.055 0.000 0.948 559 N CB 0.909 39.384 38.487 -0.020 0.000 1.069 559 N HN 0.234 nan 8.380 nan 0.000 0.460 560 I N 1.509 122.000 120.570 -0.131 0.000 2.355 560 I HA 0.454 4.623 4.170 -0.001 0.000 0.288 560 I C 0.824 176.916 176.117 -0.042 0.000 0.999 560 I CA -0.200 61.031 61.300 -0.116 0.000 1.163 560 I CB 1.177 39.108 38.000 -0.117 0.000 1.316 560 I HN 0.636 nan 8.210 nan 0.000 0.454 561 G N 4.539 113.310 108.800 -0.049 0.000 2.334 561 G HA2 0.119 4.078 3.960 -0.001 0.000 0.315 561 G HA3 0.119 4.078 3.960 -0.001 0.000 0.315 561 G C -1.740 173.131 174.900 -0.049 0.000 1.284 561 G CA -0.871 44.209 45.100 -0.034 0.000 0.985 561 G HN 0.339 nan 8.290 nan 0.000 0.504 562 V N 1.684 121.569 119.914 -0.048 0.000 2.488 562 V HA 0.463 4.583 4.120 -0.001 0.000 0.293 562 V C 0.066 176.118 176.094 -0.070 0.000 1.027 562 V CA -0.559 61.700 62.300 -0.068 0.000 0.862 562 V CB 1.436 33.216 31.823 -0.072 0.000 1.008 562 V HN 0.969 nan 8.190 nan 0.000 0.428 563 E N 6.776 126.933 120.200 -0.072 0.000 2.316 563 E HA 0.329 4.678 4.350 -0.001 0.000 0.275 563 E C -2.632 173.895 176.600 -0.122 0.000 1.029 563 E CA -1.600 54.760 56.400 -0.067 0.000 0.871 563 E CB 1.673 31.349 29.700 -0.039 0.000 1.022 563 E HN 0.397 nan 8.360 nan 0.000 0.418 564 P HA 0.104 nan 4.420 nan 0.000 0.285 564 P C 0.512 177.737 177.300 -0.125 0.000 1.259 564 P CA -0.410 62.583 63.100 -0.178 0.000 0.794 564 P CB 0.788 32.439 31.700 -0.082 0.000 0.940 565 H N 2.233 121.295 119.070 -0.015 0.000 2.325 565 H HA -0.113 4.443 4.556 -0.001 0.000 0.293 565 H C 0.855 176.180 175.328 -0.004 0.000 1.106 565 H CA 1.360 57.400 56.048 -0.014 0.000 1.247 565 H CB -0.166 29.583 29.762 -0.021 0.000 1.359 565 H HN 0.312 nan 8.280 nan 0.000 0.488 566 I N 2.337 122.981 120.570 0.124 0.000 2.359 566 I HA 0.076 4.245 4.170 -0.001 0.000 0.284 566 I C 0.377 176.526 176.117 0.054 0.000 1.018 566 I CA -1.007 60.341 61.300 0.079 0.000 1.173 566 I CB 1.047 39.093 38.000 0.076 0.000 1.326 566 I HN 0.010 nan 8.210 nan 0.000 0.462 567 D N 7.321 127.747 120.400 0.044 0.000 2.348 567 D HA 0.255 4.894 4.640 -0.001 0.000 0.253 567 D C -0.774 175.557 176.300 0.051 0.000 1.161 567 D CA 0.119 54.139 54.000 0.033 0.000 0.876 567 D CB 1.458 42.273 40.800 0.025 0.000 1.160 567 D HN 0.446 nan 8.370 nan 0.000 0.459 568 L N 6.731 127.985 121.223 0.052 0.000 2.563 568 L HA 0.338 4.677 4.340 -0.001 0.000 0.259 568 L C -2.506 174.371 176.870 0.012 0.000 1.034 568 L CA -1.355 53.543 54.840 0.096 0.000 0.899 568 L CB 2.220 44.398 42.059 0.197 0.000 1.159 568 L HN 0.255 nan 8.230 nan 0.000 0.456 569 P HA 0.184 nan 4.420 nan 0.000 0.277 569 P C -0.809 176.495 177.300 0.007 0.000 1.271 569 P CA -0.270 62.779 63.100 -0.085 0.000 0.795 569 P CB 0.780 32.479 31.700 -0.002 0.000 1.101 570 F N 0.010 119.968 119.950 0.014 0.000 2.375 570 F HA 0.141 4.668 4.527 -0.001 0.000 0.362 570 F C 1.778 177.608 175.800 0.051 0.000 1.129 570 F CA -0.677 57.345 58.000 0.036 0.000 1.154 570 F CB 1.020 40.085 39.000 0.109 0.000 1.205 570 F HN 0.231 nan 8.300 nan 0.000 0.513 571 T N 1.680 116.385 114.554 0.252 0.000 2.828 571 T HA 0.309 4.658 4.350 -0.001 0.000 0.290 571 T C 1.267 176.016 174.700 0.080 0.000 1.019 571 T CA -0.070 62.113 62.100 0.138 0.000 1.031 571 T CB 1.615 70.549 68.868 0.110 0.000 1.001 571 T HN 0.660 nan 8.240 nan 0.000 0.531 572 A N 2.716 125.585 122.820 0.081 0.000 1.908 572 A HA -0.117 4.203 4.320 -0.001 0.000 0.218 572 A C 2.340 179.861 177.584 -0.105 0.000 1.181 572 A CA 1.729 53.816 52.037 0.083 0.000 0.627 572 A CB -0.996 18.108 19.000 0.173 0.000 0.818 572 A HN 0.921 nan 8.150 nan 0.000 0.445 573 N N 0.332 118.986 118.700 -0.076 0.000 2.364 573 N HA -0.129 4.610 4.740 -0.001 0.000 0.183 573 N C 0.884 176.293 175.510 -0.167 0.000 1.022 573 N CA 1.414 54.389 53.050 -0.124 0.000 0.883 573 N CB -0.292 38.172 38.487 -0.038 0.000 0.965 573 N HN 0.512 nan 8.380 nan 0.000 0.438 574 D N 1.132 121.434 120.400 -0.163 0.000 2.107 574 D HA 0.015 4.655 4.640 -0.001 0.000 0.204 574 D C 2.235 178.148 176.300 -0.646 0.000 0.978 574 D CA 0.557 54.369 54.000 -0.313 0.000 0.852 574 D CB -0.132 40.551 40.800 -0.196 0.000 1.008 574 D HN 0.232 nan 8.370 nan 0.000 0.458 575 I N 0.801 121.062 120.570 -0.515 0.000 2.142 575 I HA -0.226 3.944 4.170 -0.001 0.000 0.240 575 I C 2.682 178.535 176.117 -0.439 0.000 1.078 575 I CA 0.826 61.853 61.300 -0.455 0.000 1.343 575 I CB -0.449 37.493 38.000 -0.097 0.000 1.046 575 I HN -0.085 nan 8.210 nan 0.000 0.405 576 R N 0.699 120.823 120.500 -0.626 0.000 2.159 576 R HA -0.222 4.118 4.340 -0.001 0.000 0.249 576 R C 0.925 176.894 176.300 -0.552 0.000 1.136 576 R CA 2.167 57.733 56.100 -0.889 0.000 0.951 576 R CB -0.313 29.305 30.300 -1.137 0.000 0.876 576 R HN 0.448 nan 8.270 nan 0.000 0.440 577 Y N -0.288 119.859 120.300 -0.254 0.000 2.722 577 Y HA 0.208 4.758 4.550 -0.001 0.000 0.314 577 Y C 0.010 175.847 175.900 -0.105 0.000 1.008 577 Y CA -0.799 57.208 58.100 -0.155 0.000 1.294 577 Y CB 0.636 39.021 38.460 -0.125 0.000 1.231 577 Y HN 0.020 nan 8.280 nan 0.000 0.558 578 K N 0.057 120.469 120.400 0.021 0.000 2.945 578 K HA -0.272 4.047 4.320 -0.001 0.000 0.248 578 K C 1.354 178.042 176.600 0.147 0.000 0.911 578 K CA 0.595 56.959 56.287 0.129 0.000 0.672 578 K CB -1.074 31.602 32.500 0.294 0.000 1.291 578 K HN 0.813 nan 8.250 nan 0.000 0.483 579 G N -0.819 107.955 108.800 -0.044 0.000 2.656 579 G HA2 -0.064 3.895 3.960 -0.001 0.000 0.211 579 G HA3 -0.064 3.895 3.960 -0.001 0.000 0.211 579 G C -0.016 174.976 174.900 0.153 0.000 1.137 579 G CA 0.042 45.190 45.100 0.080 0.000 0.802 579 G HN 0.447 nan 8.290 nan 0.000 0.527 580 Y N 1.331 121.656 120.300 0.042 0.000 3.001 580 Y HA -0.263 4.286 4.550 -0.001 0.000 0.207 580 Y C 2.026 178.007 175.900 0.134 0.000 1.231 580 Y CA 0.175 58.306 58.100 0.052 0.000 1.024 580 Y CB -2.386 36.068 38.460 -0.010 0.000 1.267 580 Y HN 0.190 nan 8.280 nan 0.000 0.501 581 S N -0.576 115.210 115.700 0.144 0.000 2.325 581 S HA -0.177 4.292 4.470 -0.001 0.000 0.213 581 S C 1.816 176.510 174.600 0.156 0.000 1.031 581 S CA 1.107 59.386 58.200 0.132 0.000 0.984 581 S CB -0.174 63.075 63.200 0.081 0.000 0.939 581 S HN 0.697 nan 8.310 nan 0.000 0.438 582 E N 0.251 120.539 120.200 0.146 0.000 2.086 582 E HA -0.280 4.069 4.350 -0.001 0.000 0.205 582 E C 1.912 178.652 176.600 0.234 0.000 1.027 582 E CA 1.888 58.385 56.400 0.161 0.000 0.830 582 E CB -0.409 29.381 29.700 0.150 0.000 0.751 582 E HN 0.526 nan 8.360 nan 0.000 0.456 583 Y N 1.481 121.888 120.300 0.178 0.000 2.014 583 Y HA -0.283 4.266 4.550 -0.001 0.000 0.272 583 Y C 2.071 178.068 175.900 0.161 0.000 1.164 583 Y CA 1.839 60.079 58.100 0.233 0.000 1.114 583 Y CB -0.658 38.048 38.460 0.410 0.000 0.961 583 Y HN -0.027 nan 8.280 nan 0.000 0.489 584 L N -0.170 121.078 121.223 0.042 0.000 2.127 584 L HA -0.249 4.091 4.340 -0.001 0.000 0.211 584 L C 2.330 179.167 176.870 -0.056 0.000 1.089 584 L CA 1.504 56.273 54.840 -0.118 0.000 0.757 584 L CB -0.770 41.301 42.059 0.020 0.000 0.899 584 L HN 0.294 nan 8.230 nan 0.000 0.434 585 D N 0.475 120.890 120.400 0.023 0.000 2.106 585 D HA -0.233 4.407 4.640 -0.001 0.000 0.191 585 D C 2.131 178.432 176.300 0.002 0.000 0.997 585 D CA 1.535 55.550 54.000 0.025 0.000 0.834 585 D CB 0.076 40.907 40.800 0.052 0.000 0.956 585 D HN 0.108 nan 8.370 nan 0.000 0.448 586 K N 1.016 121.420 120.400 0.007 0.000 2.032 586 K HA -0.114 4.205 4.320 -0.001 0.000 0.209 586 K C 2.046 178.613 176.600 -0.054 0.000 1.048 586 K CA 0.930 57.216 56.287 -0.002 0.000 0.927 586 K CB -0.625 31.898 32.500 0.038 0.000 0.712 586 K HN -0.034 nan 8.250 nan 0.000 0.441 587 V N 1.464 121.294 119.914 -0.141 0.000 2.231 587 V HA -0.331 3.788 4.120 -0.001 0.000 0.248 587 V C 2.285 178.313 176.094 -0.110 0.000 1.054 587 V CA 2.349 64.538 62.300 -0.185 0.000 1.015 587 V CB -0.526 31.092 31.823 -0.342 0.000 0.638 587 V HN 0.373 nan 8.190 nan 0.000 0.444 588 K N 0.001 120.350 120.400 -0.084 0.000 2.020 588 K HA -0.245 4.075 4.320 -0.001 0.000 0.212 588 K C 2.271 178.862 176.600 -0.015 0.000 1.050 588 K CA 1.872 58.137 56.287 -0.037 0.000 0.929 588 K CB -0.344 32.151 32.500 -0.009 0.000 0.714 588 K HN 0.428 nan 8.250 nan 0.000 0.443 589 K N 0.950 121.345 120.400 -0.009 0.000 2.001 589 K HA -0.176 4.144 4.320 -0.001 0.000 0.214 589 K C 2.240 178.836 176.600 -0.006 0.000 1.050 589 K CA 1.600 57.889 56.287 0.003 0.000 0.934 589 K CB -0.401 32.104 32.500 0.008 0.000 0.718 589 K HN 0.092 nan 8.250 nan 0.000 0.443 590 L N 0.803 122.015 121.223 -0.018 0.000 2.013 590 L HA -0.262 4.077 4.340 -0.001 0.000 0.212 590 L C 2.463 179.314 176.870 -0.031 0.000 1.073 590 L CA 1.184 56.010 54.840 -0.023 0.000 0.753 590 L CB -0.699 41.344 42.059 -0.027 0.000 0.890 590 L HN 0.055 nan 8.230 nan 0.000 0.432 591 V N -0.738 119.152 119.914 -0.039 0.000 2.255 591 V HA -0.354 3.766 4.120 -0.001 0.000 0.247 591 V C 2.675 178.745 176.094 -0.040 0.000 1.051 591 V CA 2.074 64.348 62.300 -0.043 0.000 1.018 591 V CB -0.661 31.133 31.823 -0.048 0.000 0.641 591 V HN 0.571 nan 8.190 nan 0.000 0.445 592 C N -0.521 118.772 119.300 -0.012 0.000 2.359 592 C HA -0.279 4.180 4.460 -0.001 0.000 0.277 592 C C 2.825 177.792 174.990 -0.038 0.000 1.192 592 C CA 1.423 60.440 59.018 -0.002 0.000 1.759 592 C CB -1.380 26.399 27.740 0.067 0.000 2.038 592 C HN 0.599 nan 8.230 nan 0.000 0.448 593 Q N -0.035 119.753 119.800 -0.020 0.000 2.156 593 Q HA -0.249 4.091 4.340 -0.001 0.000 0.211 593 Q C 2.219 178.190 176.000 -0.048 0.000 0.995 593 Q CA 1.612 57.398 55.803 -0.028 0.000 0.877 593 Q CB -0.366 28.360 28.738 -0.021 0.000 0.920 593 Q HN 0.704 nan 8.270 nan 0.000 0.416 594 L N 0.046 121.237 121.223 -0.053 0.000 2.027 594 L HA -0.206 4.134 4.340 -0.001 0.000 0.206 594 L C 2.301 179.121 176.870 -0.083 0.000 1.074 594 L CA 0.961 55.763 54.840 -0.063 0.000 0.745 594 L CB -0.350 41.677 42.059 -0.054 0.000 0.898 594 L HN 0.280 nan 8.230 nan 0.000 0.433 595 I N -0.278 120.225 120.570 -0.112 0.000 2.264 595 I HA -0.323 3.847 4.170 -0.001 0.000 0.248 595 I C 1.830 177.850 176.117 -0.162 0.000 1.111 595 I CA 1.351 62.550 61.300 -0.169 0.000 1.382 595 I CB -0.618 37.201 38.000 -0.301 0.000 1.060 595 I HN 0.390 nan 8.210 nan 0.000 0.418 596 N N 0.630 119.251 118.700 -0.133 0.000 2.057 596 N HA -0.117 4.623 4.740 -0.001 0.000 0.184 596 N C 0.696 176.160 175.510 -0.077 0.000 1.093 596 N CA 0.733 53.726 53.050 -0.095 0.000 0.902 596 N CB -0.142 38.309 38.487 -0.061 0.000 1.040 596 N HN 0.135 nan 8.380 nan 0.000 0.435 597 N N 0.368 119.032 118.700 -0.060 0.000 2.372 597 N HA 0.086 4.825 4.740 -0.001 0.000 0.291 597 N C -0.404 175.071 175.510 -0.058 0.000 1.024 597 N CA -0.251 52.765 53.050 -0.056 0.000 0.873 597 N CB 1.363 39.822 38.487 -0.045 0.000 1.206 597 N HN 0.119 nan 8.380 nan 0.000 0.486 598 D N 1.795 122.158 120.400 -0.061 0.000 2.612 598 D HA -0.181 4.458 4.640 -0.001 0.000 0.191 598 D C 0.091 176.350 176.300 -0.069 0.000 1.061 598 D CA 1.647 55.609 54.000 -0.064 0.000 0.912 598 D CB -0.214 40.549 40.800 -0.062 0.000 0.891 598 D HN 0.623 nan 8.370 nan 0.000 0.463 599 G N -1.257 107.504 108.800 -0.065 0.000 2.343 599 G HA2 0.437 4.397 3.960 -0.001 0.000 0.319 599 G HA3 0.437 4.397 3.960 -0.001 0.000 0.319 599 G C -0.608 174.253 174.900 -0.064 0.000 1.126 599 G CA -0.390 44.666 45.100 -0.073 0.000 0.889 599 G HN -0.012 nan 8.290 nan 0.000 0.457 600 T N 3.945 118.456 114.554 -0.072 0.000 2.723 600 T HA 0.162 4.512 4.350 -0.001 0.000 0.297 600 T C 1.482 176.155 174.700 -0.045 0.000 0.925 600 T CA -0.298 61.771 62.100 -0.053 0.000 1.030 600 T CB 0.910 69.748 68.868 -0.049 0.000 0.905 600 T HN 0.288 nan 8.240 nan 0.000 0.502 601 I N 3.579 124.129 120.570 -0.033 0.000 2.040 601 I HA -0.013 4.157 4.170 -0.001 0.000 0.224 601 I C 1.140 177.247 176.117 -0.017 0.000 1.038 601 I CA 1.354 62.639 61.300 -0.025 0.000 1.330 601 I CB -0.194 37.794 38.000 -0.018 0.000 1.076 601 I HN 0.561 nan 8.210 nan 0.000 0.388 602 I N 0.369 120.934 120.570 -0.008 0.000 2.693 602 I HA 0.246 4.415 4.170 -0.001 0.000 0.303 602 I C -0.438 175.682 176.117 0.006 0.000 1.025 602 I CA -0.975 60.325 61.300 0.000 0.000 1.086 602 I CB 2.021 40.023 38.000 0.003 0.000 1.268 602 I HN 0.057 nan 8.210 nan 0.000 0.440 603 L N 5.485 126.716 121.223 0.013 0.000 2.456 603 L HA 0.503 4.843 4.340 -0.001 0.000 0.277 603 L C -0.114 176.769 176.870 0.023 0.000 1.124 603 L CA 0.394 55.247 54.840 0.021 0.000 0.880 603 L CB -0.169 41.907 42.059 0.029 0.000 1.192 603 L HN 0.846 nan 8.230 nan 0.000 0.463 604 A N 0.000 122.833 122.820 0.022 0.000 2.254 604 A HA 0.000 4.320 4.320 -0.001 0.000 0.244 604 A CA 0.000 52.051 52.037 0.023 0.000 0.836 604 A CB 0.000 19.011 19.000 0.018 0.000 0.831 604 A HN 0.000 nan 8.150 nan 0.000 0.486