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 1nh6_1_A DATA FIRST_RESID 24 DATA SEQUENCE AAPGKPTIAW GNTKFAIVEV DQAATAYNNL VKVKNAADVS VSWNLWNGDT DATA SEQUENCE GTTAKVLLNG KEAWSGPSTG SSGTANFKVN KGGRYQMQVA LcNADGcTAS DATA SEQUENCE DATEIVVADT DGSHLAPLKE PLLEKNKPYK QNSGKVVGSY FVEWGVYGRN DATA SEQUENCE FTVDKIPAQN LTHLLYGFIP IcGGNGINDS LKEIEGSFQA LQRScQGRED DATA SEQUENCE FKVSIHDPFA ALQKAQKGVT AWDDPYKGNF GQLMALKQAH PDLKILPSIG DATA SEQUENCE GWTLSDPFFF MGDKVKRDRF VGSVKEFLQT WKFFDGVDID WLFPGGKGAN DATA SEQUENCE PNLGSPQDGE TYVLLMKELR AMLDQLSVET GRKYELTSAI SAGKDKIDKV DATA SEQUENCE AYNVAQNSMD HIFLMSYDFY GAFDLKNLGH QTALNAPAWK PDTAYTTVNG DATA SEQUENCE VNALLAQGVK PGKIVVGTAM YGRGWTGVNG YQNNIPFTGT ATGPVKGTWE DATA SEQUENCE NGIVDYRQIA SQFMSGEWQY TYDATAEAPY VFKPSTGDLI TFDDARSVQA DATA SEQUENCE KGKYVLDKQL GGLFSWEIDA DNGDILNSMN ASLGNSAGVQ 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 24 A HA 0.000 nan 4.320 nan 0.000 0.244 24 A C 0.000 177.583 177.584 -0.002 0.000 1.274 24 A CA 0.000 52.037 52.037 0.000 0.000 0.836 24 A CB 0.000 19.002 19.000 0.004 0.000 0.831 25 A N 1.635 124.453 122.820 -0.004 0.000 2.429 25 A HA 0.646 4.967 4.320 0.001 0.000 0.242 25 A C -2.219 175.362 177.584 -0.004 0.000 1.088 25 A CA -0.567 51.465 52.037 -0.008 0.000 0.784 25 A CB -0.840 18.154 19.000 -0.011 0.000 1.038 25 A HN 0.575 nan 8.150 nan 0.000 0.501 26 P HA 0.297 nan 4.420 nan 0.000 0.273 26 P C 0.530 177.830 177.300 -0.000 0.000 1.250 26 P CA 0.211 63.309 63.100 -0.004 0.000 0.793 26 P CB 0.369 32.062 31.700 -0.013 0.000 1.011 27 G N 0.282 109.087 108.800 0.009 0.000 2.651 27 G HA2 0.201 4.161 3.960 0.001 0.000 0.260 27 G HA3 0.201 4.161 3.960 0.001 0.000 0.260 27 G C -0.684 174.221 174.900 0.010 0.000 1.216 27 G CA -0.426 44.685 45.100 0.018 0.000 0.913 27 G HN 0.440 nan 8.290 nan 0.000 0.535 28 K N 1.473 121.885 120.400 0.020 0.000 2.285 28 K HA 0.296 4.617 4.320 0.001 0.000 0.286 28 K C -1.978 174.640 176.600 0.030 0.000 1.072 28 K CA -1.453 54.843 56.287 0.015 0.000 0.913 28 K CB 1.079 33.594 32.500 0.024 0.000 1.067 28 K HN 0.268 nan 8.250 nan 0.000 0.479 29 P HA 0.156 nan 4.420 nan 0.000 0.278 29 P C -1.006 176.336 177.300 0.070 0.000 1.266 29 P CA -0.431 62.693 63.100 0.039 0.000 0.807 29 P CB 1.240 32.944 31.700 0.007 0.000 1.094 30 T N -1.791 112.833 114.554 0.116 0.000 2.887 30 T HA 0.522 4.872 4.350 0.001 0.000 0.288 30 T C 0.313 175.117 174.700 0.174 0.000 1.021 30 T CA -0.918 61.267 62.100 0.141 0.000 1.000 30 T CB 0.716 69.695 68.868 0.185 0.000 1.034 30 T HN 0.129 nan 8.240 nan 0.000 0.467 31 I N 2.133 122.796 120.570 0.155 0.000 2.441 31 I HA 0.457 4.628 4.170 0.001 0.000 0.287 31 I C 1.043 177.260 176.117 0.166 0.000 1.049 31 I CA -0.614 60.785 61.300 0.166 0.000 1.381 31 I CB 0.443 38.515 38.000 0.121 0.000 1.409 31 I HN 0.993 nan 8.210 nan 0.000 0.523 32 A N 6.487 129.404 122.820 0.162 0.000 2.302 32 A HA 0.249 4.570 4.320 0.001 0.000 0.285 32 A C -0.471 177.220 177.584 0.178 0.000 1.105 32 A CA -0.528 51.616 52.037 0.178 0.000 0.816 32 A CB 0.218 19.303 19.000 0.142 0.000 1.067 32 A HN 0.770 nan 8.150 nan 0.000 0.489 33 W N 1.544 122.884 121.300 0.067 0.000 2.364 33 W HA 0.391 5.051 4.660 0.001 0.000 0.343 33 W C 0.455 177.001 176.519 0.045 0.000 1.237 33 W CA 1.806 59.183 57.345 0.054 0.000 1.319 33 W CB 0.154 29.643 29.460 0.048 0.000 1.179 33 W HN 1.240 nan 8.180 nan 0.000 0.578 34 G N 3.916 111.985 108.800 -1.218 0.000 2.376 34 G HA2 0.087 4.048 3.960 0.001 0.000 0.302 34 G HA3 0.087 4.048 3.960 0.001 0.000 0.302 34 G C -1.459 172.973 174.900 -0.780 0.000 1.586 34 G CA -1.186 43.191 45.100 -1.203 0.000 0.907 34 G HN 0.821 nan 8.290 nan 0.000 0.655 35 N N -0.466 117.842 118.700 -0.653 0.000 2.407 35 N HA 0.300 5.040 4.740 0.001 0.000 0.250 35 N C 1.445 176.694 175.510 -0.436 0.000 1.236 35 N CA 1.162 53.926 53.050 -0.477 0.000 0.879 35 N CB 0.922 39.141 38.487 -0.448 0.000 1.088 35 N HN 0.793 nan 8.380 nan 0.000 0.450 36 T N -1.052 113.242 114.554 -0.433 0.000 3.084 36 T HA 0.267 4.617 4.350 0.001 0.000 0.270 36 T C -0.112 174.305 174.700 -0.471 0.000 1.008 36 T CA -0.249 61.672 62.100 -0.298 0.000 0.900 36 T CB -0.126 68.670 68.868 -0.119 0.000 1.084 36 T HN 0.385 nan 8.240 nan 0.000 0.538 37 K N 1.270 121.193 120.400 -0.794 0.000 2.265 37 K HA 0.653 4.973 4.320 0.001 0.000 0.267 37 K C -1.458 174.572 176.600 -0.951 0.000 0.994 37 K CA -0.608 55.289 56.287 -0.650 0.000 0.860 37 K CB 1.177 33.403 32.500 -0.456 0.000 1.099 37 K HN 0.129 nan 8.250 nan 0.000 0.448 38 F N 0.726 120.573 119.950 -0.172 0.000 2.664 38 F HA 0.761 5.288 4.527 0.001 0.000 0.329 38 F C -0.257 175.426 175.800 -0.195 0.000 1.090 38 F CA -1.121 56.773 58.000 -0.178 0.000 0.978 38 F CB 1.856 40.755 39.000 -0.168 0.000 1.378 38 F HN 0.436 nan 8.300 nan 0.000 0.495 39 A N 0.490 123.333 122.820 0.038 0.000 2.520 39 A HA 0.665 4.986 4.320 0.001 0.000 0.298 39 A C -0.145 177.437 177.584 -0.003 0.000 1.051 39 A CA -0.515 51.491 52.037 -0.052 0.000 0.690 39 A CB 0.891 19.806 19.000 -0.143 0.000 1.281 39 A HN 0.761 nan 8.150 nan 0.000 0.402 40 I N 0.749 121.325 120.570 0.010 0.000 2.406 40 I HA -0.027 4.143 4.170 0.001 0.000 0.249 40 I C 0.083 176.203 176.117 0.005 0.000 1.122 40 I CA 1.128 62.432 61.300 0.007 0.000 1.431 40 I CB 0.232 38.242 38.000 0.016 0.000 1.087 40 I HN 0.346 nan 8.210 nan 0.000 0.424 41 V N 2.033 121.977 119.914 0.051 0.000 2.357 41 V HA 0.215 4.335 4.120 0.001 0.000 0.284 41 V C -0.246 175.916 176.094 0.114 0.000 1.018 41 V CA -0.714 61.599 62.300 0.020 0.000 0.841 41 V CB 1.264 33.043 31.823 -0.074 0.000 0.991 41 V HN 0.149 nan 8.190 nan 0.000 0.437 42 E N 3.082 123.306 120.200 0.040 0.000 2.301 42 E HA 0.580 4.931 4.350 0.001 0.000 0.275 42 E C -1.117 175.537 176.600 0.092 0.000 1.030 42 E CA -0.401 56.032 56.400 0.055 0.000 0.852 42 E CB 2.189 31.894 29.700 0.009 0.000 1.060 42 E HN 0.433 nan 8.360 nan 0.000 0.401 43 V N 2.903 122.897 119.914 0.134 0.000 2.531 43 V HA 0.087 4.208 4.120 0.001 0.000 0.301 43 V C -0.612 175.540 176.094 0.097 0.000 1.034 43 V CA -0.878 61.521 62.300 0.166 0.000 0.865 43 V CB 1.962 33.979 31.823 0.324 0.000 0.995 43 V HN 0.643 nan 8.190 nan 0.000 0.424 44 D N 3.854 124.303 120.400 0.082 0.000 2.365 44 D HA 0.139 4.780 4.640 0.001 0.000 0.237 44 D C 0.967 177.321 176.300 0.090 0.000 1.190 44 D CA -0.108 53.933 54.000 0.068 0.000 0.867 44 D CB 1.463 42.296 40.800 0.056 0.000 1.050 44 D HN 0.435 nan 8.370 nan 0.000 0.491 45 Q N 2.471 122.323 119.800 0.087 0.000 2.541 45 Q HA -0.045 4.295 4.340 0.001 0.000 0.215 45 Q C 0.833 176.915 176.000 0.136 0.000 0.977 45 Q CA 0.501 56.367 55.803 0.105 0.000 0.934 45 Q CB 0.381 29.173 28.738 0.090 0.000 0.988 45 Q HN 0.609 nan 8.270 nan 0.000 0.521 46 A N -0.618 122.273 122.820 0.118 0.000 2.469 46 A HA 0.485 4.806 4.320 0.001 0.000 0.245 46 A C 0.854 178.503 177.584 0.107 0.000 1.221 46 A CA 0.232 52.341 52.037 0.119 0.000 0.946 46 A CB 0.352 19.409 19.000 0.096 0.000 1.049 46 A HN 0.189 nan 8.150 nan 0.000 0.529 47 A N 0.199 123.081 122.820 0.103 0.000 2.445 47 A HA 0.465 4.785 4.320 0.001 0.000 0.242 47 A C 1.304 178.957 177.584 0.114 0.000 1.075 47 A CA 0.764 52.857 52.037 0.093 0.000 0.777 47 A CB 0.102 19.149 19.000 0.079 0.000 1.013 47 A HN 0.730 nan 8.150 nan 0.000 0.493 48 T N -1.364 113.251 114.554 0.102 0.000 2.955 48 T HA 0.491 4.841 4.350 0.001 0.000 0.251 48 T C 0.653 175.426 174.700 0.123 0.000 1.002 48 T CA 0.621 62.788 62.100 0.112 0.000 0.970 48 T CB -0.102 68.816 68.868 0.083 0.000 1.091 48 T HN 1.259 nan 8.240 nan 0.000 0.495 49 A N 0.816 123.701 122.820 0.109 0.000 2.301 49 A HA 0.608 4.929 4.320 0.001 0.000 0.298 49 A C 0.618 178.299 177.584 0.161 0.000 1.185 49 A CA -0.735 51.377 52.037 0.125 0.000 0.830 49 A CB 0.251 19.304 19.000 0.088 0.000 1.112 49 A HN 0.329 nan 8.150 nan 0.000 0.508 50 Y N 3.023 123.384 120.300 0.103 0.000 2.193 50 Y HA -0.258 4.293 4.550 0.001 0.000 0.285 50 Y C 1.754 177.733 175.900 0.131 0.000 1.166 50 Y CA 2.684 60.869 58.100 0.142 0.000 1.181 50 Y CB -0.017 38.539 38.460 0.159 0.000 0.976 50 Y HN 0.768 nan 8.280 nan 0.000 0.520 51 N N 0.257 119.028 118.700 0.118 0.000 2.453 51 N HA -0.135 4.606 4.740 0.001 0.000 0.183 51 N C 0.747 176.243 175.510 -0.023 0.000 1.041 51 N CA 1.497 54.569 53.050 0.036 0.000 0.900 51 N CB -0.391 38.148 38.487 0.087 0.000 0.961 51 N HN 0.603 nan 8.380 nan 0.000 0.443 52 N N -0.771 117.924 118.700 -0.008 0.000 2.220 52 N HA 0.087 4.827 4.740 0.001 0.000 0.195 52 N C 1.176 176.678 175.510 -0.013 0.000 1.123 52 N CA -0.184 52.864 53.050 -0.002 0.000 0.874 52 N CB 0.494 38.997 38.487 0.027 0.000 0.995 52 N HN 0.006 nan 8.380 nan 0.000 0.498 53 L N 0.484 121.679 121.223 -0.046 0.000 2.109 53 L HA 0.187 4.528 4.340 0.001 0.000 0.207 53 L C 0.384 177.245 176.870 -0.014 0.000 1.086 53 L CA 1.192 56.024 54.840 -0.014 0.000 0.760 53 L CB 0.253 42.313 42.059 0.001 0.000 0.910 53 L HN -0.116 nan 8.230 nan 0.000 0.437 54 V N -0.196 119.645 119.914 -0.122 0.000 2.925 54 V HA 0.617 4.737 4.120 0.001 0.000 0.311 54 V C -1.396 174.613 176.094 -0.141 0.000 1.104 54 V CA -0.758 61.477 62.300 -0.108 0.000 0.954 54 V CB 1.976 33.701 31.823 -0.163 0.000 1.022 54 V HN 0.265 nan 8.190 nan 0.000 0.427 55 K N 4.454 124.786 120.400 -0.113 0.000 2.601 55 K HA 0.616 4.936 4.320 0.001 0.000 0.249 55 K C -1.693 174.842 176.600 -0.108 0.000 0.966 55 K CA -0.343 55.886 56.287 -0.098 0.000 0.827 55 K CB 1.819 34.286 32.500 -0.054 0.000 1.178 55 K HN 0.512 nan 8.250 nan 0.000 0.437 56 V N 4.920 124.757 119.914 -0.129 0.000 2.498 56 V HA 0.425 4.546 4.120 0.001 0.000 0.279 56 V C -0.030 176.019 176.094 -0.076 0.000 1.048 56 V CA -0.341 61.884 62.300 -0.124 0.000 0.967 56 V CB 1.101 32.834 31.823 -0.151 0.000 0.988 56 V HN 0.695 nan 8.190 nan 0.000 0.473 57 K N 2.995 123.360 120.400 -0.060 0.000 2.352 57 K HA 0.494 4.814 4.320 0.001 0.000 0.240 57 K C 0.612 177.190 176.600 -0.036 0.000 1.017 57 K CA -0.871 55.391 56.287 -0.043 0.000 0.851 57 K CB 1.144 33.622 32.500 -0.036 0.000 1.261 57 K HN 0.377 nan 8.250 nan 0.000 0.451 58 N N 0.105 118.788 118.700 -0.029 0.000 2.416 58 N HA 0.043 4.784 4.740 0.001 0.000 0.177 58 N C -0.382 175.118 175.510 -0.017 0.000 1.036 58 N CA 0.479 53.517 53.050 -0.020 0.000 0.901 58 N CB 0.445 38.923 38.487 -0.015 0.000 0.976 58 N HN 0.542 nan 8.380 nan 0.000 0.444 59 A N -0.533 122.272 122.820 -0.025 0.000 2.601 59 A HA 0.735 5.055 4.320 0.001 0.000 0.291 59 A C -1.523 176.029 177.584 -0.053 0.000 1.075 59 A CA -0.566 51.452 52.037 -0.031 0.000 0.671 59 A CB 0.707 19.689 19.000 -0.029 0.000 1.277 59 A HN 0.070 nan 8.150 nan 0.000 0.417 60 A N 0.409 123.185 122.820 -0.074 0.000 2.306 60 A HA 0.625 4.945 4.320 0.001 0.000 0.314 60 A C -0.811 176.633 177.584 -0.234 0.000 1.164 60 A CA -0.431 51.538 52.037 -0.113 0.000 0.822 60 A CB 0.297 19.250 19.000 -0.079 0.000 1.130 60 A HN 0.616 nan 8.150 nan 0.000 0.496 61 D N 2.254 122.493 120.400 -0.267 0.000 2.428 61 D HA 0.354 4.994 4.640 0.001 0.000 0.221 61 D C -0.409 175.444 176.300 -0.746 0.000 1.123 61 D CA 0.245 54.015 54.000 -0.383 0.000 0.869 61 D CB 1.348 42.011 40.800 -0.227 0.000 1.032 61 D HN 0.172 nan 8.370 nan 0.000 0.506 62 V N 1.536 120.798 119.914 -1.087 0.000 2.617 62 V HA 0.433 4.553 4.120 0.001 0.000 0.298 62 V C 0.467 175.801 176.094 -1.267 0.000 1.048 62 V CA -0.389 60.909 62.300 -1.671 0.000 0.964 62 V CB 1.886 32.696 31.823 -1.689 0.000 1.004 62 V HN 0.419 nan 8.190 nan 0.000 0.466 63 S N 2.551 117.723 115.700 -0.880 0.000 2.536 63 S HA 0.852 5.323 4.470 0.001 0.000 0.287 63 S C -1.296 173.201 174.600 -0.172 0.000 1.101 63 S CA -0.436 57.514 58.200 -0.416 0.000 0.950 63 S CB 1.732 64.794 63.200 -0.230 0.000 1.056 63 S HN 0.510 nan 8.310 nan 0.000 0.481 64 V N 2.937 122.814 119.914 -0.062 0.000 2.808 64 V HA 0.672 4.792 4.120 0.001 0.000 0.308 64 V C -0.509 175.633 176.094 0.079 0.000 1.099 64 V CA -0.693 61.647 62.300 0.067 0.000 0.920 64 V CB 2.191 34.124 31.823 0.184 0.000 1.014 64 V HN 0.864 nan 8.190 nan 0.000 0.425 65 S N 2.516 118.260 115.700 0.072 0.000 2.568 65 S HA 0.870 5.341 4.470 0.001 0.000 0.293 65 S C -1.310 173.366 174.600 0.128 0.000 1.089 65 S CA -0.650 57.513 58.200 -0.062 0.000 0.945 65 S CB 1.928 65.046 63.200 -0.137 0.000 1.077 65 S HN 0.861 nan 8.310 nan 0.000 0.485 66 W N 0.837 122.107 121.300 -0.050 0.000 3.047 66 W HA 0.747 5.407 4.660 0.001 0.000 0.341 66 W C -1.341 175.113 176.519 -0.108 0.000 1.225 66 W CA -0.623 56.690 57.345 -0.053 0.000 1.150 66 W CB 0.762 30.190 29.460 -0.054 0.000 1.470 66 W HN 0.367 nan 8.180 nan 0.000 0.578 67 N N 1.041 119.789 118.700 0.080 0.000 2.242 67 N HA 0.573 5.314 4.740 0.001 0.000 0.292 67 N C -2.293 173.079 175.510 -0.230 0.000 1.125 67 N CA -0.674 52.219 53.050 -0.262 0.000 0.783 67 N CB 2.560 40.779 38.487 -0.446 0.000 1.558 67 N HN 0.613 nan 8.380 nan 0.000 0.472 68 L N 1.630 122.600 121.223 -0.421 0.000 2.427 68 L HA 0.443 4.783 4.340 0.001 0.000 0.264 68 L C -0.563 176.102 176.870 -0.342 0.000 0.989 68 L CA -0.378 54.324 54.840 -0.230 0.000 0.865 68 L CB 0.698 42.730 42.059 -0.045 0.000 1.209 68 L HN 0.656 nan 8.230 nan 0.000 0.430 69 W N 2.327 123.669 121.300 0.071 0.000 2.523 69 W HA 0.183 4.843 4.660 0.001 0.000 0.278 69 W C 0.503 177.048 176.519 0.043 0.000 1.236 69 W CA -0.034 57.342 57.345 0.051 0.000 1.306 69 W CB 0.307 29.793 29.460 0.043 0.000 1.101 69 W HN 0.455 nan 8.180 nan 0.000 0.577 70 N N -1.093 117.737 118.700 0.215 0.000 2.295 70 N HA 0.552 5.293 4.740 0.001 0.000 0.293 70 N C -0.248 175.313 175.510 0.085 0.000 1.040 70 N CA 0.622 53.757 53.050 0.141 0.000 0.840 70 N CB 1.975 40.542 38.487 0.134 0.000 1.468 70 N HN 0.082 nan 8.380 nan 0.000 0.478 71 G N 1.093 109.933 108.800 0.066 0.000 2.541 71 G HA2 -0.117 3.844 3.960 0.001 0.000 0.686 71 G HA3 -0.117 3.844 3.960 0.001 0.000 0.686 71 G C -1.390 173.531 174.900 0.035 0.000 1.286 71 G CA -0.968 44.159 45.100 0.045 0.000 0.894 71 G HN 0.590 nan 8.290 nan 0.000 0.575 72 D N -0.703 119.713 120.400 0.027 0.000 2.424 72 D HA 0.352 4.992 4.640 0.001 0.000 0.244 72 D C 1.407 177.720 176.300 0.022 0.000 1.134 72 D CA 0.848 54.862 54.000 0.022 0.000 0.881 72 D CB 1.417 42.227 40.800 0.016 0.000 1.191 72 D HN 0.465 nan 8.370 nan 0.000 0.445 73 T N 1.850 116.420 114.554 0.027 0.000 3.107 73 T HA 0.323 4.673 4.350 0.001 0.000 0.249 73 T C 0.804 175.523 174.700 0.032 0.000 1.096 73 T CA 0.872 62.995 62.100 0.038 0.000 1.012 73 T CB -0.581 68.321 68.868 0.057 0.000 0.977 73 T HN 0.776 nan 8.240 nan 0.000 0.527 74 G N 0.630 109.440 108.800 0.017 0.000 2.698 74 G HA2 -0.267 3.694 3.960 0.001 0.000 0.233 74 G HA3 -0.267 3.694 3.960 0.001 0.000 0.233 74 G C 0.617 175.525 174.900 0.014 0.000 1.352 74 G CA 0.433 45.537 45.100 0.007 0.000 0.879 74 G HN 0.703 nan 8.290 nan 0.000 0.567 75 T N -4.352 110.204 114.554 0.003 0.000 2.954 75 T HA 0.514 4.865 4.350 0.001 0.000 0.252 75 T C 0.765 175.464 174.700 -0.001 0.000 0.983 75 T CA 1.445 63.548 62.100 0.004 0.000 0.941 75 T CB 0.739 69.603 68.868 -0.007 0.000 1.141 75 T HN 1.092 nan 8.240 nan 0.000 0.500 76 T N 2.068 116.611 114.554 -0.017 0.000 2.886 76 T HA 0.772 5.123 4.350 0.001 0.000 0.292 76 T C -1.015 173.662 174.700 -0.038 0.000 1.012 76 T CA -0.577 61.500 62.100 -0.038 0.000 0.982 76 T CB 1.748 70.572 68.868 -0.074 0.000 1.018 76 T HN 0.485 nan 8.240 nan 0.000 0.451 77 A N 3.409 126.224 122.820 -0.009 0.000 2.330 77 A HA 0.842 5.162 4.320 0.001 0.000 0.327 77 A C -0.467 177.119 177.584 0.003 0.000 1.155 77 A CA -0.737 51.283 52.037 -0.027 0.000 0.803 77 A CB 0.841 19.905 19.000 0.106 0.000 1.208 77 A HN 0.757 nan 8.150 nan 0.000 0.477 78 K N 0.910 121.260 120.400 -0.083 0.000 2.426 78 K HA 0.618 4.938 4.320 0.001 0.000 0.251 78 K C -1.504 175.048 176.600 -0.081 0.000 0.941 78 K CA -0.746 55.528 56.287 -0.022 0.000 0.808 78 K CB 2.690 35.132 32.500 -0.097 0.000 1.265 78 K HN 0.379 nan 8.250 nan 0.000 0.432 79 V N 3.813 123.707 119.914 -0.033 0.000 2.398 79 V HA 0.412 4.532 4.120 0.001 0.000 0.286 79 V C -0.523 175.443 176.094 -0.213 0.000 1.026 79 V CA -0.794 61.384 62.300 -0.203 0.000 0.868 79 V CB 1.066 32.631 31.823 -0.430 0.000 0.982 79 V HN 0.528 nan 8.190 nan 0.000 0.443 80 L N 5.970 127.096 121.223 -0.162 0.000 2.329 80 L HA 0.629 4.970 4.340 0.001 0.000 0.279 80 L C -0.783 176.038 176.870 -0.083 0.000 1.014 80 L CA -0.565 54.205 54.840 -0.116 0.000 0.814 80 L CB 1.851 43.864 42.059 -0.077 0.000 1.257 80 L HN 0.392 nan 8.230 nan 0.000 0.424 81 L N 3.996 125.181 121.223 -0.063 0.000 2.316 81 L HA 0.411 4.752 4.340 0.001 0.000 0.280 81 L C -0.228 176.700 176.870 0.097 0.000 1.006 81 L CA -0.655 54.192 54.840 0.011 0.000 0.836 81 L CB 1.296 43.286 42.059 -0.114 0.000 1.221 81 L HN 0.668 nan 8.230 nan 0.000 0.418 82 N N 2.973 121.748 118.700 0.126 0.000 2.721 82 N HA -0.216 4.524 4.740 0.001 0.000 0.249 82 N C 1.013 176.551 175.510 0.047 0.000 1.072 82 N CA 1.328 54.436 53.050 0.096 0.000 0.710 82 N CB -0.929 37.636 38.487 0.131 0.000 0.993 82 N HN 1.113 nan 8.380 nan 0.000 0.547 83 G N -1.681 107.131 108.800 0.021 0.000 2.179 83 G HA2 -0.362 3.599 3.960 0.001 0.000 0.260 83 G HA3 -0.362 3.599 3.960 0.001 0.000 0.260 83 G C -0.032 174.859 174.900 -0.015 0.000 0.977 83 G CA 0.812 45.910 45.100 -0.003 0.000 0.641 83 G HN 0.533 nan 8.290 nan 0.000 0.533 84 K N 0.808 121.201 120.400 -0.011 0.000 2.185 84 K HA 0.446 4.766 4.320 0.001 0.000 0.269 84 K C 0.115 176.677 176.600 -0.063 0.000 0.987 84 K CA -0.651 55.620 56.287 -0.027 0.000 0.865 84 K CB 1.871 34.369 32.500 -0.004 0.000 1.090 84 K HN 0.318 nan 8.250 nan 0.000 0.450 85 E N 1.603 121.759 120.200 -0.074 0.000 2.417 85 E HA -0.006 4.345 4.350 0.001 0.000 0.261 85 E C -0.108 176.418 176.600 -0.125 0.000 1.000 85 E CA -0.011 56.327 56.400 -0.104 0.000 0.919 85 E CB 0.688 30.331 29.700 -0.096 0.000 0.955 85 E HN 0.760 nan 8.360 nan 0.000 0.455 86 A N 4.915 127.618 122.820 -0.194 0.000 2.358 86 A HA 0.175 4.495 4.320 0.001 0.000 0.223 86 A C -0.545 176.919 177.584 -0.200 0.000 1.218 86 A CA -0.270 51.620 52.037 -0.245 0.000 0.942 86 A CB 0.244 18.984 19.000 -0.434 0.000 1.005 86 A HN 0.742 nan 8.150 nan 0.000 0.514 87 W N -0.446 120.610 121.300 -0.406 0.000 3.298 87 W HA 0.482 5.142 4.660 0.001 0.000 0.302 87 W C -1.271 175.123 176.519 -0.208 0.000 1.255 87 W CA 0.284 57.453 57.345 -0.294 0.000 1.196 87 W CB 0.975 30.199 29.460 -0.394 0.000 1.364 87 W HN 0.381 nan 8.180 nan 0.000 0.566 88 S N 3.091 118.216 115.700 -0.958 0.000 2.547 88 S HA 0.948 5.418 4.470 0.001 0.000 0.270 88 S C -0.836 172.897 174.600 -1.444 0.000 1.150 88 S CA -0.232 57.427 58.200 -0.902 0.000 0.850 88 S CB 1.619 64.555 63.200 -0.440 0.000 1.118 88 S HN 1.545 nan 8.310 nan 0.000 0.461 89 G N 0.472 108.706 108.800 -0.943 0.000 2.523 89 G HA2 0.654 4.614 3.960 0.001 0.000 0.291 89 G HA3 0.654 4.614 3.960 0.001 0.000 0.291 89 G C -3.712 171.094 174.900 -0.156 0.000 1.450 89 G CA -1.009 43.747 45.100 -0.573 0.000 0.790 89 G HN 0.615 nan 8.290 nan 0.000 0.496 90 P HA 0.293 nan 4.420 nan 0.000 0.268 90 P C -0.174 177.199 177.300 0.121 0.000 1.204 90 P CA 0.040 63.155 63.100 0.024 0.000 0.768 90 P CB 1.312 33.025 31.700 0.021 0.000 0.842 91 S N 1.623 117.389 115.700 0.110 0.000 2.399 91 S HA 0.232 4.703 4.470 0.001 0.000 0.301 91 S C 1.045 175.718 174.600 0.122 0.000 1.093 91 S CA -0.213 58.090 58.200 0.171 0.000 1.077 91 S CB -0.534 62.743 63.200 0.128 0.000 0.980 91 S HN 0.529 nan 8.310 nan 0.000 0.494 92 T N 1.591 116.222 114.554 0.128 0.000 3.069 92 T HA 0.534 4.884 4.350 0.001 0.000 0.252 92 T C 0.844 175.574 174.700 0.049 0.000 1.053 92 T CA 0.213 62.357 62.100 0.073 0.000 0.964 92 T CB 0.266 69.169 68.868 0.058 0.000 1.005 92 T HN 0.763 nan 8.240 nan 0.000 0.532 93 G N 0.918 109.753 108.800 0.059 0.000 2.490 93 G HA2 0.393 4.354 3.960 0.001 0.000 0.308 93 G HA3 0.393 4.354 3.960 0.001 0.000 0.308 93 G C 0.265 175.170 174.900 0.007 0.000 1.286 93 G CA -0.017 45.093 45.100 0.017 0.000 0.825 93 G HN 0.266 nan 8.290 nan 0.000 0.479 94 S N -1.147 114.519 115.700 -0.058 0.000 2.607 94 S HA 0.378 4.848 4.470 0.001 0.000 0.224 94 S C 0.855 175.314 174.600 -0.235 0.000 0.969 94 S CA 1.055 59.175 58.200 -0.134 0.000 0.927 94 S CB -0.575 62.511 63.200 -0.191 0.000 0.772 94 S HN 1.920 nan 8.310 nan 0.000 0.533 95 S N -1.374 114.192 115.700 -0.223 0.000 2.550 95 S HA 0.845 5.316 4.470 0.001 0.000 0.270 95 S C -0.465 173.789 174.600 -0.576 0.000 1.145 95 S CA -0.368 57.583 58.200 -0.416 0.000 0.852 95 S CB 1.406 64.389 63.200 -0.362 0.000 1.119 95 S HN 0.868 nan 8.310 nan 0.000 0.465 96 G N 0.048 108.107 108.800 -1.234 0.000 2.623 96 G HA2 0.677 4.637 3.960 0.001 0.000 0.290 96 G HA3 0.677 4.637 3.960 0.001 0.000 0.290 96 G C -1.602 172.293 174.900 -1.675 0.000 1.437 96 G CA -0.606 43.663 45.100 -1.385 0.000 0.798 96 G HN 0.872 nan 8.290 nan 0.000 0.488 97 T N -0.344 113.606 114.554 -1.007 0.000 2.933 97 T HA 0.760 5.110 4.350 0.001 0.000 0.305 97 T C -0.562 173.929 174.700 -0.348 0.000 1.092 97 T CA 0.054 61.808 62.100 -0.577 0.000 1.008 97 T CB 1.760 70.439 68.868 -0.315 0.000 1.102 97 T HN 1.452 nan 8.240 nan 0.000 0.469 98 A N 3.141 125.777 122.820 -0.306 0.000 2.374 98 A HA 0.810 5.130 4.320 0.001 0.000 0.305 98 A C -0.900 176.449 177.584 -0.390 0.000 1.053 98 A CA -0.889 50.720 52.037 -0.714 0.000 0.726 98 A CB 0.966 19.141 19.000 -1.375 0.000 1.229 98 A HN 0.701 nan 8.150 nan 0.000 0.431 99 N N 1.686 120.204 118.700 -0.304 0.000 2.372 99 N HA 0.750 5.491 4.740 0.001 0.000 0.285 99 N C -1.225 174.285 175.510 -0.001 0.000 1.008 99 N CA 0.053 52.987 53.050 -0.193 0.000 0.880 99 N CB 1.768 40.189 38.487 -0.111 0.000 1.239 99 N HN 0.649 nan 8.380 nan 0.000 0.484 100 F N -1.263 118.573 119.950 -0.190 0.000 2.686 100 F HA 0.589 5.116 4.527 0.001 0.000 0.311 100 F C -0.779 174.941 175.800 -0.134 0.000 1.128 100 F CA -1.209 56.749 58.000 -0.070 0.000 0.946 100 F CB 1.426 40.429 39.000 0.004 0.000 1.336 100 F HN -0.075 nan 8.300 nan 0.000 0.457 101 K N 1.375 121.828 120.400 0.088 0.000 2.138 101 K HA 0.751 5.072 4.320 0.001 0.000 0.263 101 K C -1.527 175.094 176.600 0.035 0.000 0.965 101 K CA -1.112 55.154 56.287 -0.035 0.000 0.868 101 K CB 2.440 34.935 32.500 -0.007 0.000 1.083 101 K HN 0.533 nan 8.250 nan 0.000 0.443 102 V N 3.311 123.187 119.914 -0.064 0.000 2.443 102 V HA 0.070 4.191 4.120 0.001 0.000 0.293 102 V C -0.106 175.978 176.094 -0.018 0.000 1.021 102 V CA -0.885 61.390 62.300 -0.043 0.000 0.848 102 V CB 1.233 32.983 31.823 -0.123 0.000 0.998 102 V HN 0.864 nan 8.190 nan 0.000 0.424 103 N N 2.708 121.416 118.700 0.014 0.000 2.268 103 N HA 0.115 4.856 4.740 0.001 0.000 0.204 103 N C -0.063 175.481 175.510 0.057 0.000 1.124 103 N CA -0.222 52.843 53.050 0.026 0.000 0.838 103 N CB 0.441 38.940 38.487 0.020 0.000 0.994 103 N HN 0.635 nan 8.380 nan 0.000 0.489 104 K N 0.079 120.540 120.400 0.102 0.000 2.471 104 K HA 0.535 4.855 4.320 0.001 0.000 0.252 104 K C -0.157 176.577 176.600 0.223 0.000 0.938 104 K CA -0.845 55.531 56.287 0.147 0.000 0.796 104 K CB 1.562 34.162 32.500 0.165 0.000 1.161 104 K HN 0.127 nan 8.250 nan 0.000 0.425 105 G N 1.420 110.316 108.800 0.160 0.000 2.594 105 G HA2 0.501 4.462 3.960 0.001 0.000 0.243 105 G HA3 0.501 4.462 3.960 0.001 0.000 0.243 105 G C -0.023 174.954 174.900 0.130 0.000 1.229 105 G CA 0.354 45.556 45.100 0.168 0.000 0.843 105 G HN 0.877 nan 8.290 nan 0.000 0.578 106 G N -0.190 108.671 108.800 0.103 0.000 2.368 106 G HA2 0.343 4.303 3.960 0.001 0.000 0.302 106 G HA3 0.343 4.303 3.960 0.001 0.000 0.302 106 G C -1.116 173.700 174.900 -0.142 0.000 1.329 106 G CA -1.093 43.927 45.100 -0.134 0.000 0.935 106 G HN 0.700 nan 8.290 nan 0.000 0.590 107 R N 0.023 120.367 120.500 -0.260 0.000 2.310 107 R HA 0.555 4.895 4.340 0.001 0.000 0.324 107 R C -1.253 174.919 176.300 -0.213 0.000 0.955 107 R CA -0.462 55.575 56.100 -0.106 0.000 0.830 107 R CB 1.222 31.486 30.300 -0.060 0.000 1.154 107 R HN 0.485 nan 8.270 nan 0.000 0.458 108 Y N 0.766 121.093 120.300 0.046 0.000 2.446 108 Y HA 0.218 4.768 4.550 0.001 0.000 0.338 108 Y C 0.361 176.283 175.900 0.037 0.000 1.055 108 Y CA -0.999 57.126 58.100 0.043 0.000 1.101 108 Y CB 1.562 40.058 38.460 0.060 0.000 1.221 108 Y HN 0.187 nan 8.280 nan 0.000 0.460 109 Q N 3.631 123.544 119.800 0.187 0.000 2.406 109 Q HA 0.209 4.550 4.340 0.001 0.000 0.242 109 Q C -0.540 175.526 176.000 0.110 0.000 1.036 109 Q CA -0.160 55.710 55.803 0.111 0.000 0.904 109 Q CB 1.289 30.066 28.738 0.065 0.000 1.244 109 Q HN 0.595 nan 8.270 nan 0.000 0.478 110 M N 2.896 122.557 119.600 0.101 0.000 2.264 110 M HA 0.306 4.787 4.480 0.001 0.000 0.352 110 M C -1.052 175.268 176.300 0.033 0.000 1.173 110 M CA 0.008 55.349 55.300 0.068 0.000 1.075 110 M CB 1.007 33.666 32.600 0.099 0.000 1.621 110 M HN 0.561 nan 8.290 nan 0.000 0.457 111 Q N 2.460 122.254 119.800 -0.008 0.000 2.421 111 Q HA 0.650 4.991 4.340 0.001 0.000 0.280 111 Q C -1.532 174.410 176.000 -0.096 0.000 1.085 111 Q CA -0.963 54.819 55.803 -0.036 0.000 0.807 111 Q CB 3.146 31.862 28.738 -0.038 0.000 1.405 111 Q HN 0.569 nan 8.270 nan 0.000 0.419 112 V N 1.175 121.007 119.914 -0.137 0.000 2.417 112 V HA 0.759 4.879 4.120 0.001 0.000 0.291 112 V C -0.758 175.172 176.094 -0.274 0.000 1.024 112 V CA -0.454 61.669 62.300 -0.294 0.000 0.861 112 V CB 1.357 32.916 31.823 -0.440 0.000 0.985 112 V HN 0.820 nan 8.190 nan 0.000 0.436 113 A N 6.214 128.870 122.820 -0.274 0.000 2.342 113 A HA 0.895 5.215 4.320 0.001 0.000 0.323 113 A C -0.972 176.479 177.584 -0.221 0.000 1.125 113 A CA -0.578 51.340 52.037 -0.198 0.000 0.785 113 A CB 1.010 19.930 19.000 -0.133 0.000 1.221 113 A HN 0.780 nan 8.150 nan 0.000 0.463 114 L N 1.680 122.804 121.223 -0.166 0.000 2.313 114 L HA 0.534 4.874 4.340 0.001 0.000 0.283 114 L C -0.776 176.047 176.870 -0.078 0.000 1.013 114 L CA -0.511 54.253 54.840 -0.126 0.000 0.816 114 L CB 1.482 43.484 42.059 -0.096 0.000 1.236 114 L HN 0.745 nan 8.230 nan 0.000 0.419 115 c N 2.137 120.699 118.600 -0.064 0.000 2.779 115 c HA 0.779 5.349 4.570 0.001 0.000 0.314 115 c C -0.237 173.832 174.090 -0.035 0.000 1.231 115 c CA -0.776 55.523 56.329 -0.050 0.000 1.652 115 c CB 1.645 44.120 42.510 -0.058 0.000 2.198 115 c HN 0.956 nan 8.230 nan 0.000 0.483 116 N N -0.287 118.395 118.700 -0.029 0.000 3.039 116 N HA 0.518 5.259 4.740 0.001 0.000 0.257 116 N C 0.206 175.702 175.510 -0.022 0.000 1.497 116 N CA -0.166 52.871 53.050 -0.022 0.000 0.861 116 N CB 0.444 38.923 38.487 -0.013 0.000 1.479 116 N HN 0.595 nan 8.380 nan 0.000 0.547 117 A N -0.501 122.308 122.820 -0.019 0.000 1.986 117 A HA -0.190 4.131 4.320 0.001 0.000 0.220 117 A C 0.937 178.511 177.584 -0.017 0.000 1.171 117 A CA 2.011 54.037 52.037 -0.018 0.000 0.640 117 A CB -0.869 18.122 19.000 -0.015 0.000 0.811 117 A HN 0.689 nan 8.150 nan 0.000 0.451 118 D N -1.133 119.258 120.400 -0.014 0.000 2.349 118 D HA 0.358 4.999 4.640 0.001 0.000 0.224 118 D C 1.007 177.298 176.300 -0.015 0.000 1.029 118 D CA 1.326 55.319 54.000 -0.013 0.000 0.879 118 D CB 0.319 41.114 40.800 -0.009 0.000 0.906 118 D HN 0.624 nan 8.370 nan 0.000 0.528 119 G N -1.127 107.661 108.800 -0.020 0.000 2.359 119 G HA2 0.044 4.005 3.960 0.001 0.000 0.303 119 G HA3 0.044 4.005 3.960 0.001 0.000 0.303 119 G C -1.321 173.562 174.900 -0.029 0.000 1.293 119 G CA -0.773 44.313 45.100 -0.023 0.000 0.964 119 G HN 0.163 nan 8.290 nan 0.000 0.531 120 c N -0.211 118.369 118.600 -0.033 0.000 2.493 120 c HA 0.911 5.482 4.570 0.001 0.000 0.326 120 c C 0.222 174.288 174.090 -0.040 0.000 1.200 120 c CA -0.368 55.935 56.329 -0.043 0.000 1.739 120 c CB 1.383 43.862 42.510 -0.051 0.000 2.300 120 c HN 0.884 nan 8.230 nan 0.000 0.500 121 T N 2.246 116.772 114.554 -0.047 0.000 2.847 121 T HA 0.634 4.984 4.350 0.001 0.000 0.291 121 T C -0.253 174.412 174.700 -0.058 0.000 0.998 121 T CA -0.079 61.997 62.100 -0.041 0.000 0.967 121 T CB 1.293 70.144 68.868 -0.029 0.000 0.954 121 T HN 0.905 nan 8.240 nan 0.000 0.441 122 A N 2.959 125.749 122.820 -0.050 0.000 2.306 122 A HA 0.781 5.101 4.320 0.001 0.000 0.314 122 A C 0.773 178.333 177.584 -0.040 0.000 1.164 122 A CA -0.741 51.260 52.037 -0.059 0.000 0.822 122 A CB 0.467 19.436 19.000 -0.051 0.000 1.130 122 A HN 0.885 nan 8.150 nan 0.000 0.496 123 S N 1.965 117.636 115.700 -0.048 0.000 2.617 123 S HA 0.251 4.722 4.470 0.001 0.000 0.259 123 S C -0.116 174.485 174.600 0.000 0.000 1.301 123 S CA -0.493 57.698 58.200 -0.015 0.000 0.984 123 S CB 0.219 63.413 63.200 -0.011 0.000 0.954 123 S HN 0.645 nan 8.310 nan 0.000 0.572 124 D N 0.757 121.170 120.400 0.020 0.000 2.360 124 D HA 0.508 5.148 4.640 0.001 0.000 0.242 124 D C 0.211 176.526 176.300 0.026 0.000 1.184 124 D CA 0.179 54.193 54.000 0.024 0.000 0.930 124 D CB 0.808 41.629 40.800 0.035 0.000 1.161 124 D HN 0.829 nan 8.370 nan 0.000 0.447 125 A N 0.710 123.545 122.820 0.026 0.000 2.327 125 A HA 0.500 4.821 4.320 0.001 0.000 0.283 125 A C 0.054 177.664 177.584 0.042 0.000 1.127 125 A CA -0.230 51.826 52.037 0.032 0.000 0.810 125 A CB 0.600 19.619 19.000 0.031 0.000 1.066 125 A HN 0.382 nan 8.150 nan 0.000 0.492 126 T N 1.706 116.291 114.554 0.051 0.000 2.807 126 T HA 0.333 4.684 4.350 0.001 0.000 0.279 126 T C -0.288 174.451 174.700 0.065 0.000 0.993 126 T CA -0.348 61.785 62.100 0.054 0.000 0.970 126 T CB 1.067 69.971 68.868 0.059 0.000 0.950 126 T HN 0.753 nan 8.240 nan 0.000 0.441 127 E N 3.809 124.042 120.200 0.056 0.000 2.316 127 E HA 0.395 4.745 4.350 0.001 0.000 0.275 127 E C -0.425 176.224 176.600 0.082 0.000 1.029 127 E CA -0.487 55.954 56.400 0.069 0.000 0.871 127 E CB 0.443 30.168 29.700 0.041 0.000 1.022 127 E HN 0.631 nan 8.360 nan 0.000 0.418 128 I N 1.105 121.759 120.570 0.141 0.000 2.603 128 I HA 0.552 4.723 4.170 0.001 0.000 0.300 128 I C -1.173 175.065 176.117 0.202 0.000 1.017 128 I CA -1.128 60.273 61.300 0.168 0.000 1.098 128 I CB 2.012 40.151 38.000 0.232 0.000 1.279 128 I HN 0.139 nan 8.210 nan 0.000 0.437 129 V N 5.851 125.854 119.914 0.148 0.000 2.448 129 V HA 0.426 4.546 4.120 0.001 0.000 0.295 129 V C -0.129 176.057 176.094 0.154 0.000 1.025 129 V CA -0.643 61.737 62.300 0.134 0.000 0.859 129 V CB 1.619 33.463 31.823 0.036 0.000 0.988 129 V HN 0.595 nan 8.190 nan 0.000 0.431 130 V N 4.447 124.480 119.914 0.198 0.000 2.304 130 V HA 0.659 4.780 4.120 0.001 0.000 0.278 130 V C 0.575 176.676 176.094 0.011 0.000 1.018 130 V CA -0.516 61.871 62.300 0.146 0.000 0.814 130 V CB 1.362 33.327 31.823 0.236 0.000 1.021 130 V HN 0.986 nan 8.190 nan 0.000 0.440 131 A N 3.678 126.363 122.820 -0.225 0.000 2.340 131 A HA 0.699 5.019 4.320 0.001 0.000 0.268 131 A C -0.351 177.136 177.584 -0.163 0.000 1.100 131 A CA -0.047 51.602 52.037 -0.647 0.000 0.803 131 A CB 0.741 19.058 19.000 -1.138 0.000 1.043 131 A HN 0.754 nan 8.150 nan 0.000 0.488 132 D N -0.496 119.925 120.400 0.036 0.000 2.661 132 D HA 0.338 4.979 4.640 0.001 0.000 0.228 132 D C 0.931 177.382 176.300 0.252 0.000 1.210 132 D CA 0.396 54.502 54.000 0.177 0.000 0.826 132 D CB 1.624 42.494 40.800 0.116 0.000 1.542 132 D HN 0.477 nan 8.370 nan 0.000 0.447 133 T N -1.186 113.400 114.554 0.054 0.000 3.228 133 T HA -0.071 4.279 4.350 0.001 0.000 0.261 133 T C 0.736 175.530 174.700 0.158 0.000 1.171 133 T CA 0.710 62.812 62.100 0.004 0.000 1.056 133 T CB -0.210 68.615 68.868 -0.072 0.000 0.938 133 T HN 0.407 nan 8.240 nan 0.000 0.539 134 D N 0.341 120.829 120.400 0.146 0.000 2.350 134 D HA 0.183 4.824 4.640 0.001 0.000 0.213 134 D C 1.626 177.986 176.300 0.101 0.000 1.031 134 D CA 0.452 54.527 54.000 0.126 0.000 0.861 134 D CB -0.717 40.134 40.800 0.084 0.000 0.926 134 D HN 0.532 nan 8.370 nan 0.000 0.520 135 G N 0.837 109.730 108.800 0.154 0.000 2.136 135 G HA2 -0.357 3.604 3.960 0.001 0.000 0.242 135 G HA3 -0.357 3.604 3.960 0.001 0.000 0.242 135 G C 1.092 175.992 174.900 -0.001 0.000 0.989 135 G CA 0.825 45.950 45.100 0.042 0.000 0.682 135 G HN 0.580 nan 8.290 nan 0.000 0.522 136 S N 0.357 116.136 115.700 0.132 0.000 2.469 136 S HA -0.129 4.341 4.470 0.001 0.000 0.238 136 S C 1.839 176.478 174.600 0.065 0.000 0.998 136 S CA 1.615 59.859 58.200 0.073 0.000 0.957 136 S CB -0.537 62.715 63.200 0.086 0.000 0.764 136 S HN 1.070 nan 8.310 nan 0.000 0.514 137 H N 0.469 119.537 119.070 -0.003 0.000 2.575 137 H HA 0.447 5.004 4.556 0.001 0.000 0.267 137 H C 0.335 175.637 175.328 -0.044 0.000 0.966 137 H CA -0.469 55.565 56.048 -0.024 0.000 1.165 137 H CB -0.410 29.352 29.762 -0.000 0.000 1.433 137 H HN 0.365 nan 8.280 nan 0.000 0.544 138 L N 1.476 122.393 121.223 -0.509 0.000 2.334 138 L HA 0.596 4.936 4.340 0.001 0.000 0.275 138 L C 0.481 177.217 176.870 -0.224 0.000 1.036 138 L CA -1.118 53.478 54.840 -0.407 0.000 0.807 138 L CB 1.644 43.417 42.059 -0.477 0.000 1.231 138 L HN 0.099 nan 8.230 nan 0.000 0.438 139 A N 3.237 125.952 122.820 -0.176 0.000 2.407 139 A HA 0.519 4.840 4.320 0.001 0.000 0.248 139 A C -2.309 175.189 177.584 -0.144 0.000 1.082 139 A CA -1.134 50.822 52.037 -0.135 0.000 0.785 139 A CB -0.440 18.495 19.000 -0.109 0.000 1.020 139 A HN 0.465 nan 8.150 nan 0.000 0.489 140 P HA 0.131 nan 4.420 nan 0.000 0.265 140 P C -0.607 176.612 177.300 -0.136 0.000 1.193 140 P CA -0.076 62.937 63.100 -0.145 0.000 0.765 140 P CB 0.310 31.919 31.700 -0.152 0.000 0.823 141 L N 4.424 125.565 121.223 -0.137 0.000 2.328 141 L HA 0.252 4.592 4.340 0.001 0.000 0.280 141 L C 0.150 176.966 176.870 -0.091 0.000 1.111 141 L CA 0.207 54.979 54.840 -0.114 0.000 0.909 141 L CB -0.703 41.282 42.059 -0.123 0.000 1.277 141 L HN 0.155 nan 8.230 nan 0.000 0.433 142 K N 3.830 124.177 120.400 -0.088 0.000 2.414 142 K HA 0.336 4.656 4.320 0.001 0.000 0.251 142 K C -0.793 175.785 176.600 -0.037 0.000 1.037 142 K CA -0.453 55.795 56.287 -0.065 0.000 0.980 142 K CB 0.544 32.984 32.500 -0.100 0.000 1.280 142 K HN 0.448 nan 8.250 nan 0.000 0.451 143 E N 3.075 123.266 120.200 -0.015 0.000 2.214 143 E HA 0.331 4.681 4.350 0.001 0.000 0.274 143 E C -2.263 174.335 176.600 -0.004 0.000 0.977 143 E CA -2.149 54.238 56.400 -0.022 0.000 0.827 143 E CB 1.103 30.778 29.700 -0.041 0.000 1.130 143 E HN 0.469 nan 8.360 nan 0.000 0.394 144 P HA 0.142 nan 4.420 nan 0.000 0.272 144 P C -0.237 177.067 177.300 0.006 0.000 1.223 144 P CA -0.221 62.879 63.100 -0.002 0.000 0.784 144 P CB 0.494 32.189 31.700 -0.008 0.000 0.923 145 L N 2.055 123.288 121.223 0.017 0.000 2.456 145 L HA 0.165 4.506 4.340 0.001 0.000 0.272 145 L C 0.456 177.343 176.870 0.028 0.000 1.189 145 L CA 0.031 54.889 54.840 0.030 0.000 0.846 145 L CB -0.182 41.900 42.059 0.039 0.000 1.111 145 L HN 0.227 nan 8.230 nan 0.000 0.475 146 L N 2.152 123.399 121.223 0.040 0.000 2.335 146 L HA 0.446 4.786 4.340 0.001 0.000 0.268 146 L C 0.684 177.590 176.870 0.061 0.000 1.016 146 L CA -0.666 54.199 54.840 0.041 0.000 0.805 146 L CB 1.276 43.355 42.059 0.033 0.000 1.311 146 L HN 0.742 nan 8.230 nan 0.000 0.456 147 E N -0.006 120.228 120.200 0.055 0.000 3.374 147 E HA -0.353 3.997 4.350 0.001 0.000 0.375 147 E C 0.503 177.138 176.600 0.058 0.000 1.535 147 E CA 1.827 58.263 56.400 0.060 0.000 1.664 147 E CB -0.539 29.212 29.700 0.085 0.000 1.707 147 E HN 0.578 nan 8.360 nan 0.000 0.469 148 K N 1.341 121.785 120.400 0.074 0.000 2.404 148 K HA 0.161 4.482 4.320 0.001 0.000 0.194 148 K C -0.013 176.639 176.600 0.087 0.000 1.023 148 K CA -0.167 56.164 56.287 0.074 0.000 1.094 148 K CB -0.044 32.507 32.500 0.085 0.000 0.841 148 K HN 0.210 nan 8.250 nan 0.000 0.523 149 N N 2.616 121.372 118.700 0.093 0.000 2.454 149 N HA 0.004 4.745 4.740 0.001 0.000 0.260 149 N C -0.330 175.235 175.510 0.092 0.000 1.218 149 N CA 0.770 53.884 53.050 0.108 0.000 0.904 149 N CB 0.663 39.212 38.487 0.105 0.000 1.065 149 N HN -0.079 nan 8.380 nan 0.000 0.462 150 K N 2.377 122.851 120.400 0.124 0.000 2.318 150 K HA 0.473 4.793 4.320 0.001 0.000 0.249 150 K C -2.395 174.201 176.600 -0.006 0.000 0.942 150 K CA -1.826 54.478 56.287 0.029 0.000 0.808 150 K CB 2.062 34.550 32.500 -0.020 0.000 1.189 150 K HN 0.334 nan 8.250 nan 0.000 0.428 151 P HA 0.143 nan 4.420 nan 0.000 0.271 151 P C -1.161 175.959 177.300 -0.299 0.000 1.216 151 P CA 0.106 63.148 63.100 -0.096 0.000 0.771 151 P CB 0.344 32.000 31.700 -0.074 0.000 0.864 152 Y N 0.740 121.052 120.300 0.021 0.000 2.524 152 Y HA 0.370 4.920 4.550 0.001 0.000 0.347 152 Y C 0.710 176.623 175.900 0.022 0.000 1.005 152 Y CA -0.778 57.335 58.100 0.021 0.000 1.025 152 Y CB 2.522 40.996 38.460 0.022 0.000 1.275 152 Y HN 0.169 nan 8.280 nan 0.000 0.460 153 K N 2.072 122.579 120.400 0.179 0.000 2.172 153 K HA 0.295 4.616 4.320 0.001 0.000 0.276 153 K C -0.637 176.035 176.600 0.120 0.000 1.013 153 K CA -0.969 55.387 56.287 0.115 0.000 0.913 153 K CB 0.870 33.417 32.500 0.077 0.000 1.055 153 K HN 0.457 nan 8.250 nan 0.000 0.461 154 Q N 2.987 122.841 119.800 0.090 0.000 3.027 154 Q HA 0.033 4.374 4.340 0.001 0.000 0.260 154 Q C -0.223 175.817 176.000 0.067 0.000 1.379 154 Q CA 0.010 55.859 55.803 0.076 0.000 1.038 154 Q CB -0.245 28.531 28.738 0.063 0.000 1.578 154 Q HN 0.556 nan 8.270 nan 0.000 0.571 155 N N -1.948 116.793 118.700 0.068 0.000 2.200 155 N HA -0.060 4.681 4.740 0.001 0.000 0.224 155 N C 0.857 176.399 175.510 0.053 0.000 1.179 155 N CA 0.144 53.228 53.050 0.057 0.000 0.877 155 N CB 0.295 38.814 38.487 0.053 0.000 1.072 155 N HN 0.099 nan 8.380 nan 0.000 0.519 156 S N -0.861 114.872 115.700 0.056 0.000 2.446 156 S HA 0.238 4.708 4.470 0.001 0.000 0.225 156 S C 1.707 176.336 174.600 0.049 0.000 1.016 156 S CA 0.576 58.805 58.200 0.049 0.000 0.943 156 S CB -0.691 62.536 63.200 0.044 0.000 0.786 156 S HN 0.574 nan 8.310 nan 0.000 0.508 157 G N 0.932 109.766 108.800 0.058 0.000 2.159 157 G HA2 -0.201 3.759 3.960 0.001 0.000 0.256 157 G HA3 -0.201 3.759 3.960 0.001 0.000 0.256 157 G C -0.024 174.920 174.900 0.074 0.000 0.977 157 G CA 0.351 45.490 45.100 0.064 0.000 0.652 157 G HN 0.515 nan 8.290 nan 0.000 0.531 158 K N 0.213 120.654 120.400 0.069 0.000 2.118 158 K HA 0.651 4.972 4.320 0.001 0.000 0.254 158 K C 0.557 177.205 176.600 0.081 0.000 0.961 158 K CA -0.804 55.524 56.287 0.069 0.000 0.876 158 K CB 2.108 34.639 32.500 0.052 0.000 1.077 158 K HN 0.079 nan 8.250 nan 0.000 0.440 159 V N 1.866 121.815 119.914 0.059 0.000 2.637 159 V HA 0.110 4.231 4.120 0.001 0.000 0.296 159 V C 0.037 176.180 176.094 0.083 0.000 1.046 159 V CA -0.360 61.959 62.300 0.032 0.000 1.066 159 V CB 1.116 32.824 31.823 -0.191 0.000 0.968 159 V HN 0.365 nan 8.190 nan 0.000 0.483 160 V N 4.677 124.668 119.914 0.129 0.000 2.439 160 V HA 0.707 4.827 4.120 0.001 0.000 0.277 160 V C 0.417 176.597 176.094 0.144 0.000 1.008 160 V CA -0.126 62.242 62.300 0.113 0.000 0.846 160 V CB 1.213 33.075 31.823 0.066 0.000 1.031 160 V HN 0.997 nan 8.190 nan 0.000 0.441 161 G N 1.911 110.810 108.800 0.164 0.000 2.600 161 G HA2 0.802 4.762 3.960 0.001 0.000 0.303 161 G HA3 0.802 4.762 3.960 0.001 0.000 0.303 161 G C -1.067 173.916 174.900 0.137 0.000 1.253 161 G CA -0.683 44.498 45.100 0.134 0.000 0.974 161 G HN 0.650 nan 8.290 nan 0.000 0.483 162 S N -1.629 114.107 115.700 0.059 0.000 2.547 162 S HA 0.588 5.058 4.470 0.001 0.000 0.270 162 S C -2.012 172.584 174.600 -0.006 0.000 1.150 162 S CA -0.581 57.679 58.200 0.101 0.000 0.850 162 S CB 1.037 64.269 63.200 0.053 0.000 1.118 162 S HN 0.429 nan 8.310 nan 0.000 0.461 163 Y N 2.055 122.327 120.300 -0.047 0.000 2.330 163 Y HA 0.582 5.133 4.550 0.001 0.000 0.336 163 Y C -0.306 175.388 175.900 -0.343 0.000 1.036 163 Y CA -0.482 57.517 58.100 -0.168 0.000 1.125 163 Y CB 1.175 39.507 38.460 -0.214 0.000 1.194 163 Y HN 0.598 nan 8.280 nan 0.000 0.469 164 F N 4.876 124.665 119.950 -0.268 0.000 2.436 164 F HA 0.638 5.166 4.527 0.001 0.000 0.340 164 F C -0.759 174.700 175.800 -0.568 0.000 1.113 164 F CA -1.227 56.573 58.000 -0.333 0.000 1.022 164 F CB 0.827 39.764 39.000 -0.104 0.000 1.128 164 F HN 0.236 nan 8.300 nan 0.000 0.466 165 V N 3.798 122.862 119.914 -1.418 0.000 2.427 165 V HA 0.392 4.513 4.120 0.001 0.000 0.286 165 V C 1.019 176.181 176.094 -1.553 0.000 1.034 165 V CA -0.418 60.901 62.300 -1.635 0.000 0.893 165 V CB 1.530 32.085 31.823 -2.114 0.000 0.982 165 V HN 1.038 nan 8.190 nan 0.000 0.452 166 E N 3.760 123.285 120.200 -1.125 0.000 2.097 166 E HA -0.225 4.125 4.350 0.001 0.000 0.196 166 E C 1.466 177.915 176.600 -0.252 0.000 1.000 166 E CA 2.512 58.655 56.400 -0.429 0.000 0.804 166 E CB -0.119 29.522 29.700 -0.098 0.000 0.740 166 E HN 1.010 nan 8.360 nan 0.000 0.454 167 W N -0.396 120.848 121.300 -0.094 0.000 3.077 167 W HA 0.331 4.991 4.660 0.001 0.000 0.245 167 W C 1.571 178.047 176.519 -0.071 0.000 1.316 167 W CA 0.224 57.592 57.345 0.039 0.000 1.537 167 W CB -0.646 28.854 29.460 0.066 0.000 1.131 167 W HN -0.011 nan 8.180 nan 0.000 0.695 168 G N 1.645 110.057 108.800 -0.646 0.000 2.625 168 G HA2 -0.152 3.809 3.960 0.001 0.000 0.214 168 G HA3 -0.152 3.809 3.960 0.001 0.000 0.214 168 G C 1.261 175.982 174.900 -0.299 0.000 1.132 168 G CA 1.281 46.068 45.100 -0.522 0.000 0.782 168 G HN 0.494 nan 8.290 nan 0.000 0.538 169 V N -3.150 116.583 119.914 -0.302 0.000 3.380 169 V HA 0.194 4.315 4.120 0.001 0.000 0.268 169 V C 1.647 177.561 176.094 -0.300 0.000 1.168 169 V CA 0.229 62.361 62.300 -0.281 0.000 1.156 169 V CB -0.990 30.637 31.823 -0.326 0.000 0.785 169 V HN 0.249 nan 8.190 nan 0.000 0.487 170 Y N 2.038 122.331 120.300 -0.012 0.000 2.858 170 Y HA 0.595 5.146 4.550 0.001 0.000 0.196 170 Y C 2.681 178.548 175.900 -0.056 0.000 0.925 170 Y CA 0.973 59.079 58.100 0.009 0.000 1.172 170 Y CB -1.129 37.359 38.460 0.047 0.000 1.050 170 Y HN 0.066 nan 8.280 nan 0.000 0.460 171 G N 0.255 109.129 108.800 0.124 0.000 2.513 171 G HA2 -0.276 3.685 3.960 0.001 0.000 0.219 171 G HA3 -0.276 3.685 3.960 0.001 0.000 0.219 171 G C 1.522 176.156 174.900 -0.443 0.000 1.160 171 G CA 1.295 46.351 45.100 -0.074 0.000 0.767 171 G HN 0.321 nan 8.290 nan 0.000 0.571 172 R N -0.322 119.765 120.500 -0.689 0.000 2.280 172 R HA 0.032 4.372 4.340 0.001 0.000 0.207 172 R C 1.073 177.225 176.300 -0.247 0.000 1.043 172 R CA 0.419 55.986 56.100 -0.890 0.000 1.006 172 R CB -0.202 29.606 30.300 -0.819 0.000 0.885 172 R HN 0.374 nan 8.270 nan 0.000 0.467 173 N N -0.055 118.571 118.700 -0.124 0.000 2.714 173 N HA -0.255 4.486 4.740 0.001 0.000 0.252 173 N C -1.534 174.006 175.510 0.049 0.000 1.014 173 N CA 0.539 53.583 53.050 -0.011 0.000 0.735 173 N CB -0.939 37.574 38.487 0.044 0.000 0.924 173 N HN 0.227 nan 8.380 nan 0.000 0.540 174 F N 0.594 120.462 119.950 -0.138 0.000 2.460 174 F HA 0.489 5.016 4.527 0.001 0.000 0.341 174 F C 0.520 176.321 175.800 0.002 0.000 1.130 174 F CA -0.125 57.827 58.000 -0.079 0.000 0.962 174 F CB 0.913 39.832 39.000 -0.135 0.000 1.171 174 F HN 0.126 nan 8.300 nan 0.000 0.436 175 T N 1.442 115.884 114.554 -0.187 0.000 2.948 175 T HA 0.350 4.701 4.350 0.001 0.000 0.285 175 T C 1.025 175.684 174.700 -0.067 0.000 1.019 175 T CA -0.739 61.365 62.100 0.006 0.000 1.013 175 T CB 1.485 70.295 68.868 -0.097 0.000 1.117 175 T HN 0.287 nan 8.240 nan 0.000 0.533 176 V N 1.813 121.637 119.914 -0.150 0.000 2.453 176 V HA -0.205 3.916 4.120 0.001 0.000 0.252 176 V C 2.581 178.526 176.094 -0.248 0.000 1.068 176 V CA 2.357 64.435 62.300 -0.369 0.000 1.070 176 V CB -0.996 30.556 31.823 -0.452 0.000 0.664 176 V HN 1.046 nan 8.190 nan 0.000 0.461 177 D N 0.113 120.383 120.400 -0.218 0.000 2.310 177 D HA -0.202 4.439 4.640 0.001 0.000 0.212 177 D C 1.647 177.825 176.300 -0.202 0.000 0.965 177 D CA 0.832 54.723 54.000 -0.180 0.000 0.879 177 D CB -0.186 40.523 40.800 -0.152 0.000 0.921 177 D HN 0.435 nan 8.370 nan 0.000 0.510 178 K N 0.164 120.358 120.400 -0.344 0.000 2.404 178 K HA 0.215 4.536 4.320 0.001 0.000 0.194 178 K C 0.753 177.239 176.600 -0.190 0.000 1.023 178 K CA -0.164 55.858 56.287 -0.442 0.000 1.094 178 K CB 0.741 32.615 32.500 -1.044 0.000 0.841 178 K HN 0.197 nan 8.250 nan 0.000 0.523 179 I N 4.145 124.684 120.570 -0.051 0.000 2.496 179 I HA 0.027 4.197 4.170 0.001 0.000 0.285 179 I C -1.831 174.323 176.117 0.062 0.000 1.080 179 I CA -1.797 59.587 61.300 0.140 0.000 1.404 179 I CB 0.674 38.717 38.000 0.071 0.000 1.403 179 I HN -0.151 nan 8.210 nan 0.000 0.539 180 P HA 0.133 nan 4.420 nan 0.000 0.225 180 P C 0.560 177.856 177.300 -0.006 0.000 1.813 180 P CA -0.128 63.003 63.100 0.052 0.000 1.013 180 P CB 0.621 32.373 31.700 0.086 0.000 1.961 181 A N 3.097 125.875 122.820 -0.070 0.000 1.986 181 A HA -0.248 4.072 4.320 0.001 0.000 0.220 181 A C 2.208 179.564 177.584 -0.380 0.000 1.171 181 A CA 1.803 53.704 52.037 -0.227 0.000 0.640 181 A CB -0.926 17.896 19.000 -0.297 0.000 0.811 181 A HN 0.536 nan 8.150 nan 0.000 0.451 182 Q N -0.998 118.635 119.800 -0.278 0.000 2.364 182 Q HA -0.096 4.245 4.340 0.001 0.000 0.207 182 Q C 0.217 176.192 176.000 -0.042 0.000 0.970 182 Q CA 1.299 57.002 55.803 -0.168 0.000 0.888 182 Q CB -0.336 28.433 28.738 0.051 0.000 0.951 182 Q HN 0.520 nan 8.270 nan 0.000 0.469 183 N N 0.592 119.286 118.700 -0.010 0.000 2.295 183 N HA 0.306 5.046 4.740 0.001 0.000 0.221 183 N C -0.858 174.660 175.510 0.013 0.000 1.129 183 N CA 0.224 53.303 53.050 0.048 0.000 0.836 183 N CB 0.504 39.050 38.487 0.098 0.000 1.040 183 N HN 0.234 nan 8.380 nan 0.000 0.494 184 L N -1.171 120.040 121.223 -0.021 0.000 2.376 184 L HA 0.417 4.757 4.340 0.001 0.000 0.258 184 L C 1.183 178.055 176.870 0.004 0.000 1.013 184 L CA -0.532 54.310 54.840 0.003 0.000 0.822 184 L CB 2.238 44.292 42.059 -0.009 0.000 1.388 184 L HN -0.079 nan 8.230 nan 0.000 0.413 185 T N -4.293 110.306 114.554 0.076 0.000 2.978 185 T HA 0.230 4.580 4.350 0.001 0.000 0.248 185 T C 0.205 174.863 174.700 -0.071 0.000 1.018 185 T CA 0.243 62.378 62.100 0.058 0.000 1.026 185 T CB 0.050 69.040 68.868 0.204 0.000 1.032 185 T HN 0.522 nan 8.240 nan 0.000 0.485 186 H N 0.250 119.326 119.070 0.011 0.000 2.667 186 H HA 0.722 5.278 4.556 0.001 0.000 0.353 186 H C -1.628 173.678 175.328 -0.037 0.000 1.072 186 H CA -0.966 55.088 56.048 0.010 0.000 1.214 186 H CB 1.900 31.683 29.762 0.035 0.000 1.600 186 H HN 0.148 nan 8.280 nan 0.000 0.527 187 L N 3.986 125.238 121.223 0.049 0.000 2.343 187 L HA 0.494 4.834 4.340 0.001 0.000 0.278 187 L C -1.754 175.114 176.870 -0.004 0.000 0.996 187 L CA -0.497 54.344 54.840 0.001 0.000 0.831 187 L CB 0.684 42.743 42.059 -0.001 0.000 1.232 187 L HN 0.502 nan 8.230 nan 0.000 0.413 188 L N 5.380 126.501 121.223 -0.170 0.000 2.309 188 L HA 0.417 4.758 4.340 0.001 0.000 0.282 188 L C -1.012 175.868 176.870 0.015 0.000 1.036 188 L CA -0.340 54.367 54.840 -0.221 0.000 0.806 188 L CB 1.311 42.822 42.059 -0.912 0.000 1.220 188 L HN 0.509 nan 8.230 nan 0.000 0.429 189 Y N 1.962 122.321 120.300 0.098 0.000 2.454 189 Y HA 0.644 5.195 4.550 0.001 0.000 0.345 189 Y C 0.445 176.445 175.900 0.166 0.000 0.970 189 Y CA -0.642 57.586 58.100 0.212 0.000 1.204 189 Y CB 1.098 39.792 38.460 0.391 0.000 1.122 189 Y HN 0.581 nan 8.280 nan 0.000 0.514 190 G N 5.648 114.243 108.800 -0.342 0.000 2.372 190 G HA2 0.561 4.522 3.960 0.001 0.000 0.323 190 G HA3 0.561 4.522 3.960 0.001 0.000 0.323 190 G C -1.803 172.791 174.900 -0.510 0.000 1.152 190 G CA -0.345 44.367 45.100 -0.647 0.000 0.906 190 G HN 0.452 nan 8.290 nan 0.000 0.460 191 F N 1.054 121.189 119.950 0.309 0.000 2.599 191 F HA 0.486 5.013 4.527 0.001 0.000 0.311 191 F C -0.129 175.875 175.800 0.341 0.000 1.076 191 F CA -1.205 57.018 58.000 0.372 0.000 0.937 191 F CB 2.142 41.399 39.000 0.428 0.000 1.282 191 F HN 0.148 nan 8.300 nan 0.000 0.460 192 I N 4.875 125.739 120.570 0.490 0.000 2.342 192 I HA 0.285 4.455 4.170 0.001 0.000 0.291 192 I C -2.207 173.997 176.117 0.146 0.000 1.010 192 I CA -2.388 59.070 61.300 0.265 0.000 1.308 192 I CB 1.000 39.032 38.000 0.053 0.000 1.400 192 I HN 0.259 nan 8.210 nan 0.000 0.488 193 P HA 0.478 nan 4.420 nan 0.000 0.283 193 P C -0.823 176.378 177.300 -0.166 0.000 1.278 193 P CA -0.579 62.454 63.100 -0.113 0.000 0.834 193 P CB 1.922 33.472 31.700 -0.249 0.000 1.150 194 I N 0.339 120.765 120.570 -0.240 0.000 2.389 194 I HA 0.227 4.397 4.170 0.001 0.000 0.288 194 I C 0.431 176.362 176.117 -0.309 0.000 0.999 194 I CA -0.888 60.262 61.300 -0.249 0.000 1.129 194 I CB 1.314 39.091 38.000 -0.372 0.000 1.288 194 I HN 0.254 nan 8.210 nan 0.000 0.444 195 c N 4.743 123.181 118.600 -0.269 0.000 2.634 195 c HA 0.530 5.100 4.570 0.001 0.000 0.417 195 c C 0.917 174.742 174.090 -0.441 0.000 1.334 195 c CA 0.276 56.427 56.329 -0.296 0.000 1.829 195 c CB -0.816 41.574 42.510 -0.201 0.000 2.665 195 c HN 1.031 nan 8.230 nan 0.000 0.614 196 G N 2.046 110.609 108.800 -0.395 0.000 2.308 196 G HA2 0.506 4.467 3.960 0.001 0.000 0.288 196 G HA3 0.506 4.467 3.960 0.001 0.000 0.288 196 G C -0.453 174.277 174.900 -0.284 0.000 1.722 196 G CA -0.026 44.816 45.100 -0.431 0.000 0.924 196 G HN 1.069 nan 8.290 nan 0.000 0.732 197 G N 0.284 108.980 108.800 -0.174 0.000 3.022 197 G HA2 0.482 4.443 3.960 0.001 0.000 0.157 197 G HA3 0.482 4.443 3.960 0.001 0.000 0.157 197 G C 0.143 175.179 174.900 0.227 0.000 1.468 197 G CA -0.623 44.501 45.100 0.040 0.000 1.058 197 G HN 0.714 nan 8.290 nan 0.000 0.581 198 N N 0.741 119.579 118.700 0.229 0.000 2.357 198 N HA 0.231 4.972 4.740 0.001 0.000 0.257 198 N C 1.276 176.792 175.510 0.011 0.000 1.250 198 N CA 1.407 54.500 53.050 0.072 0.000 0.862 198 N CB 0.859 39.354 38.487 0.015 0.000 1.066 198 N HN 1.079 nan 8.380 nan 0.000 0.468 199 G N 1.500 110.300 108.800 0.001 0.000 2.234 199 G HA2 -0.285 3.676 3.960 0.001 0.000 0.260 199 G HA3 -0.285 3.676 3.960 0.001 0.000 0.260 199 G C 0.831 175.760 174.900 0.049 0.000 0.987 199 G CA 0.470 45.588 45.100 0.029 0.000 0.625 199 G HN 0.576 nan 8.290 nan 0.000 0.532 200 I N -0.656 119.895 120.570 -0.031 0.000 3.616 200 I HA 0.222 4.392 4.170 0.001 0.000 0.296 200 I C 1.160 177.262 176.117 -0.025 0.000 1.226 200 I CA 0.369 61.599 61.300 -0.116 0.000 1.394 200 I CB 0.218 37.980 38.000 -0.397 0.000 1.171 200 I HN 0.061 nan 8.210 nan 0.000 0.442 201 N N 0.655 119.379 118.700 0.041 0.000 2.517 201 N HA 0.066 4.806 4.740 0.001 0.000 0.285 201 N C 0.023 175.620 175.510 0.144 0.000 1.528 201 N CA 0.061 53.152 53.050 0.067 0.000 0.892 201 N CB 0.596 39.094 38.487 0.018 0.000 1.356 201 N HN 0.077 nan 8.380 nan 0.000 0.495 202 D N 0.397 120.821 120.400 0.041 0.000 2.190 202 D HA -0.094 4.547 4.640 0.001 0.000 0.200 202 D C 1.477 177.738 176.300 -0.067 0.000 0.992 202 D CA 1.206 55.161 54.000 -0.074 0.000 0.854 202 D CB 0.141 40.889 40.800 -0.087 0.000 0.936 202 D HN 0.090 nan 8.370 nan 0.000 0.462 203 S N 0.182 115.850 115.700 -0.054 0.000 2.440 203 S HA -0.075 4.395 4.470 0.001 0.000 0.238 203 S C 2.039 176.618 174.600 -0.035 0.000 1.010 203 S CA 0.327 58.476 58.200 -0.086 0.000 0.972 203 S CB -0.096 63.002 63.200 -0.171 0.000 0.774 203 S HN 0.316 nan 8.310 nan 0.000 0.501 204 L N 0.794 122.038 121.223 0.035 0.000 2.291 204 L HA -0.010 4.330 4.340 0.001 0.000 0.214 204 L C 1.964 178.896 176.870 0.104 0.000 1.120 204 L CA 0.880 55.778 54.840 0.098 0.000 0.799 204 L CB -0.330 41.844 42.059 0.191 0.000 0.925 204 L HN 0.232 nan 8.230 nan 0.000 0.446 205 K N -0.130 120.289 120.400 0.031 0.000 2.519 205 K HA -0.127 4.193 4.320 0.001 0.000 0.196 205 K C 1.404 177.994 176.600 -0.016 0.000 1.041 205 K CA 0.539 56.803 56.287 -0.039 0.000 0.954 205 K CB 0.069 32.441 32.500 -0.213 0.000 0.774 205 K HN 0.225 nan 8.250 nan 0.000 0.480 206 E N 0.237 120.439 120.200 0.004 0.000 2.442 206 E HA 0.018 4.368 4.350 0.001 0.000 0.195 206 E C -0.047 176.566 176.600 0.023 0.000 1.030 206 E CA 0.445 56.854 56.400 0.016 0.000 0.869 206 E CB 0.183 29.904 29.700 0.035 0.000 0.857 206 E HN 0.156 nan 8.360 nan 0.000 0.505 207 I N 1.561 122.145 120.570 0.023 0.000 2.404 207 I HA 0.059 4.230 4.170 0.001 0.000 0.293 207 I C 0.280 176.405 176.117 0.013 0.000 0.992 207 I CA -0.915 60.389 61.300 0.006 0.000 1.149 207 I CB 1.394 39.378 38.000 -0.027 0.000 1.315 207 I HN -0.222 nan 8.210 nan 0.000 0.446 208 E N 4.801 125.001 120.200 0.002 0.000 2.729 208 E HA 0.152 4.502 4.350 0.001 0.000 0.246 208 E C 1.186 177.786 176.600 0.001 0.000 0.984 208 E CA 0.908 57.310 56.400 0.003 0.000 0.951 208 E CB 0.016 29.713 29.700 -0.006 0.000 0.914 208 E HN 0.959 nan 8.360 nan 0.000 0.509 209 G N 3.045 111.862 108.800 0.028 0.000 2.186 209 G HA2 -0.426 3.534 3.960 0.001 0.000 0.266 209 G HA3 -0.426 3.534 3.960 0.001 0.000 0.266 209 G C 1.103 176.037 174.900 0.056 0.000 0.982 209 G CA 0.836 45.958 45.100 0.036 0.000 0.670 209 G HN 0.552 nan 8.290 nan 0.000 0.533 210 S N -1.031 114.715 115.700 0.077 0.000 2.357 210 S HA 0.046 4.516 4.470 0.001 0.000 0.221 210 S C 1.978 176.720 174.600 0.237 0.000 1.031 210 S CA 1.650 59.928 58.200 0.130 0.000 0.982 210 S CB -0.262 63.003 63.200 0.108 0.000 0.853 210 S HN 0.823 nan 8.310 nan 0.000 0.458 211 F N 2.173 122.160 119.950 0.060 0.000 2.134 211 F HA -0.108 4.420 4.527 0.001 0.000 0.299 211 F C 2.252 178.072 175.800 0.033 0.000 1.097 211 F CA 1.992 60.008 58.000 0.027 0.000 1.264 211 F CB -0.592 38.403 39.000 -0.008 0.000 1.001 211 F HN 0.242 nan 8.300 nan 0.000 0.479 212 Q N 0.584 120.470 119.800 0.144 0.000 2.124 212 Q HA -0.116 4.225 4.340 0.001 0.000 0.202 212 Q C 2.421 178.410 176.000 -0.018 0.000 0.977 212 Q CA 1.813 57.642 55.803 0.044 0.000 0.850 212 Q CB -0.817 27.979 28.738 0.097 0.000 0.901 212 Q HN 0.515 nan 8.270 nan 0.000 0.429 213 A N 0.395 123.238 122.820 0.039 0.000 1.902 213 A HA -0.157 4.164 4.320 0.001 0.000 0.217 213 A C 2.014 179.651 177.584 0.087 0.000 1.181 213 A CA 1.314 53.395 52.037 0.074 0.000 0.623 213 A CB -0.666 18.387 19.000 0.088 0.000 0.818 213 A HN 0.370 nan 8.150 nan 0.000 0.443 214 L N -0.546 120.701 121.223 0.040 0.000 2.056 214 L HA -0.166 4.175 4.340 0.001 0.000 0.207 214 L C 2.357 179.115 176.870 -0.187 0.000 1.078 214 L CA 2.078 56.854 54.840 -0.106 0.000 0.749 214 L CB -0.614 41.248 42.059 -0.328 0.000 0.901 214 L HN 0.338 nan 8.230 nan 0.000 0.433 215 Q N -0.311 119.314 119.800 -0.292 0.000 2.124 215 Q HA -0.229 4.112 4.340 0.001 0.000 0.202 215 Q C 2.401 178.340 176.000 -0.101 0.000 0.977 215 Q CA 1.650 57.303 55.803 -0.251 0.000 0.850 215 Q CB -0.566 27.997 28.738 -0.291 0.000 0.901 215 Q HN 0.548 nan 8.270 nan 0.000 0.429 216 R N 0.198 120.668 120.500 -0.051 0.000 2.073 216 R HA -0.111 4.230 4.340 0.001 0.000 0.234 216 R C 2.452 178.775 176.300 0.039 0.000 1.134 216 R CA 1.594 57.698 56.100 0.006 0.000 0.952 216 R CB -0.221 30.095 30.300 0.027 0.000 0.850 216 R HN 0.212 nan 8.270 nan 0.000 0.433 217 S N -0.655 115.078 115.700 0.055 0.000 2.383 217 S HA -0.117 4.353 4.470 0.001 0.000 0.227 217 S C 1.590 176.248 174.600 0.097 0.000 1.026 217 S CA 1.246 59.511 58.200 0.109 0.000 0.981 217 S CB -0.138 63.139 63.200 0.129 0.000 0.818 217 S HN 0.593 nan 8.310 nan 0.000 0.472 218 c N 2.059 120.668 118.600 0.014 0.000 2.625 218 c HA 0.380 4.950 4.570 0.001 0.000 0.285 218 c C 0.740 174.832 174.090 0.004 0.000 1.279 218 c CA -0.684 55.643 56.329 -0.003 0.000 1.698 218 c CB -1.841 40.614 42.510 -0.091 0.000 1.821 218 c HN 0.607 nan 8.230 nan 0.000 0.600 219 Q N 0.916 120.728 119.800 0.019 0.000 2.239 219 Q HA 0.373 4.713 4.340 0.001 0.000 0.286 219 Q C 1.236 177.256 176.000 0.033 0.000 1.102 219 Q CA 1.438 57.251 55.803 0.017 0.000 0.936 219 Q CB -0.202 28.551 28.738 0.025 0.000 1.127 219 Q HN 0.657 nan 8.270 nan 0.000 0.380 220 G N 3.585 112.397 108.800 0.020 0.000 2.179 220 G HA2 -0.342 3.619 3.960 0.001 0.000 0.260 220 G HA3 -0.342 3.619 3.960 0.001 0.000 0.260 220 G C 0.131 175.054 174.900 0.037 0.000 0.977 220 G CA 0.340 45.457 45.100 0.028 0.000 0.641 220 G HN 0.662 nan 8.290 nan 0.000 0.533 221 R N 0.902 121.424 120.500 0.037 0.000 2.474 221 R HA 0.515 4.856 4.340 0.001 0.000 0.295 221 R C 0.135 176.444 176.300 0.014 0.000 0.980 221 R CA -0.660 55.469 56.100 0.049 0.000 0.934 221 R CB 0.679 31.026 30.300 0.080 0.000 1.101 221 R HN 0.394 nan 8.270 nan 0.000 0.469 222 E N 2.046 122.262 120.200 0.026 0.000 2.392 222 E HA -0.019 4.331 4.350 0.001 0.000 0.264 222 E C -0.664 175.929 176.600 -0.012 0.000 1.024 222 E CA -0.131 56.280 56.400 0.019 0.000 0.903 222 E CB 0.572 30.301 29.700 0.048 0.000 0.963 222 E HN 0.435 nan 8.360 nan 0.000 0.432 223 D N 1.082 121.456 120.400 -0.043 0.000 2.400 223 D HA -0.035 4.606 4.640 0.001 0.000 0.238 223 D C 0.246 176.516 176.300 -0.051 0.000 1.157 223 D CA 0.439 54.322 54.000 -0.194 0.000 0.889 223 D CB 0.217 40.843 40.800 -0.291 0.000 1.199 223 D HN 0.443 nan 8.370 nan 0.000 0.436 224 F N -1.746 118.141 119.950 -0.106 0.000 2.699 224 F HA -0.277 4.251 4.527 0.001 0.000 0.343 224 F C 0.900 176.714 175.800 0.023 0.000 0.633 224 F CA 0.701 58.650 58.000 -0.085 0.000 1.365 224 F CB -1.404 37.545 39.000 -0.086 0.000 1.795 224 F HN 0.200 nan 8.300 nan 0.000 0.304 225 K N 0.833 121.286 120.400 0.088 0.000 2.098 225 K HA 0.672 4.992 4.320 0.001 0.000 0.258 225 K C 0.397 176.993 176.600 -0.008 0.000 0.973 225 K CA -0.445 55.885 56.287 0.072 0.000 0.898 225 K CB 2.067 34.593 32.500 0.043 0.000 1.057 225 K HN 0.016 nan 8.250 nan 0.000 0.447 226 V N -1.249 118.629 119.914 -0.061 0.000 3.264 226 V HA 0.519 4.639 4.120 0.001 0.000 0.304 226 V C 0.276 176.207 176.094 -0.272 0.000 1.086 226 V CA -0.312 61.885 62.300 -0.172 0.000 1.090 226 V CB 1.444 33.076 31.823 -0.319 0.000 1.112 226 V HN 0.815 nan 8.190 nan 0.000 0.472 227 S N 0.265 115.765 115.700 -0.332 0.000 2.873 227 S HA 0.674 5.144 4.470 0.001 0.000 0.303 227 S C -1.388 173.067 174.600 -0.242 0.000 1.222 227 S CA -0.797 57.107 58.200 -0.493 0.000 0.923 227 S CB 1.234 64.266 63.200 -0.280 0.000 1.286 227 S HN 0.760 nan 8.310 nan 0.000 0.571 228 I N 1.962 122.484 120.570 -0.080 0.000 2.418 228 I HA 0.370 4.541 4.170 0.001 0.000 0.287 228 I C 1.134 177.387 176.117 0.226 0.000 1.008 228 I CA -0.441 60.962 61.300 0.171 0.000 1.104 228 I CB 1.749 39.890 38.000 0.236 0.000 1.264 228 I HN 0.881 nan 8.210 nan 0.000 0.438 229 H N 3.978 123.144 119.070 0.161 0.000 2.321 229 H HA -0.119 4.437 4.556 0.001 0.000 0.300 229 H C 0.320 175.749 175.328 0.168 0.000 1.087 229 H CA 1.104 57.243 56.048 0.152 0.000 1.319 229 H CB 0.568 30.453 29.762 0.206 0.000 1.379 229 H HN 0.495 nan 8.280 nan 0.000 0.501 230 D N -1.128 119.457 120.400 0.309 0.000 2.404 230 D HA 0.133 4.773 4.640 0.001 0.000 0.267 230 D C -2.057 174.372 176.300 0.216 0.000 1.194 230 D CA -2.188 51.957 54.000 0.240 0.000 0.910 230 D CB 1.250 42.203 40.800 0.256 0.000 1.090 230 D HN 0.116 nan 8.370 nan 0.000 0.511 231 P HA -0.123 nan 4.420 nan 0.000 0.216 231 P C 1.332 178.712 177.300 0.135 0.000 1.150 231 P CA 0.655 63.839 63.100 0.141 0.000 0.843 231 P CB 0.097 31.909 31.700 0.187 0.000 0.787 232 F N 0.732 120.738 119.950 0.094 0.000 2.075 232 F HA -0.154 4.374 4.527 0.001 0.000 0.297 232 F C 2.240 178.087 175.800 0.079 0.000 1.113 232 F CA 1.690 59.749 58.000 0.099 0.000 1.218 232 F CB -0.979 38.107 39.000 0.144 0.000 0.984 232 F HN -0.142 nan 8.300 nan 0.000 0.472 233 A N 0.133 123.038 122.820 0.143 0.000 1.933 233 A HA -0.032 4.289 4.320 0.001 0.000 0.218 233 A C 2.348 179.888 177.584 -0.073 0.000 1.175 233 A CA 1.782 53.806 52.037 -0.022 0.000 0.628 233 A CB -1.514 17.552 19.000 0.109 0.000 0.814 233 A HN 0.499 nan 8.150 nan 0.000 0.444 234 A N -1.389 121.390 122.820 -0.067 0.000 1.929 234 A HA 0.272 4.593 4.320 0.001 0.000 0.216 234 A C 1.839 179.180 177.584 -0.405 0.000 1.176 234 A CA 1.478 53.351 52.037 -0.273 0.000 0.628 234 A CB -0.193 18.474 19.000 -0.556 0.000 0.816 234 A HN 0.459 nan 8.150 nan 0.000 0.444 235 L N -2.615 118.435 121.223 -0.289 0.000 3.128 235 L HA 0.147 4.488 4.340 0.001 0.000 0.277 235 L C 1.768 178.569 176.870 -0.115 0.000 1.171 235 L CA 0.239 54.971 54.840 -0.180 0.000 1.008 235 L CB 0.447 42.426 42.059 -0.134 0.000 1.442 235 L HN 0.311 nan 8.230 nan 0.000 0.584 236 Q N -0.576 119.085 119.800 -0.232 0.000 2.322 236 Q HA 0.131 4.471 4.340 0.001 0.000 0.250 236 Q C 0.525 176.224 176.000 -0.502 0.000 0.853 236 Q CA -0.118 55.532 55.803 -0.255 0.000 0.951 236 Q CB 1.068 29.765 28.738 -0.068 0.000 1.114 236 Q HN 0.087 nan 8.270 nan 0.000 0.523 237 K N 1.885 121.758 120.400 -0.879 0.000 2.368 237 K HA 0.344 4.665 4.320 0.001 0.000 0.282 237 K C -0.569 175.858 176.600 -0.289 0.000 1.035 237 K CA -0.198 55.629 56.287 -0.767 0.000 0.973 237 K CB 0.649 32.687 32.500 -0.771 0.000 0.957 237 K HN 0.095 nan 8.250 nan 0.000 0.474 238 A N 4.691 127.433 122.820 -0.131 0.000 2.520 238 A HA 0.079 4.399 4.320 0.001 0.000 0.245 238 A C -0.533 177.007 177.584 -0.073 0.000 1.072 238 A CA 0.149 52.148 52.037 -0.064 0.000 0.761 238 A CB 0.326 19.328 19.000 0.003 0.000 1.004 238 A HN 0.708 nan 8.150 nan 0.000 0.499 239 Q N 0.850 120.603 119.800 -0.078 0.000 2.456 239 Q HA 0.291 4.632 4.340 0.001 0.000 0.284 239 Q C -0.760 175.194 176.000 -0.077 0.000 1.061 239 Q CA -0.918 54.836 55.803 -0.082 0.000 0.799 239 Q CB 1.710 30.386 28.738 -0.104 0.000 1.445 239 Q HN 0.832 nan 8.270 nan 0.000 0.411 240 K N 0.035 120.387 120.400 -0.080 0.000 2.504 240 K HA 0.089 4.409 4.320 0.001 0.000 0.278 240 K C 0.851 177.398 176.600 -0.089 0.000 1.025 240 K CA 1.714 57.955 56.287 -0.077 0.000 1.093 240 K CB -0.258 32.192 32.500 -0.082 0.000 0.873 240 K HN 0.822 nan 8.250 nan 0.000 0.483 241 G N 1.945 110.697 108.800 -0.080 0.000 2.284 241 G HA2 -0.282 3.679 3.960 0.001 0.000 0.230 241 G HA3 -0.282 3.679 3.960 0.001 0.000 0.230 241 G C 0.008 174.852 174.900 -0.092 0.000 1.021 241 G CA 0.115 45.160 45.100 -0.092 0.000 0.619 241 G HN 1.058 nan 8.290 nan 0.000 0.510 242 V N -2.250 117.614 119.914 -0.084 0.000 2.502 242 V HA 0.808 4.928 4.120 0.001 0.000 0.261 242 V C 0.441 176.497 176.094 -0.063 0.000 0.996 242 V CA 0.765 63.020 62.300 -0.075 0.000 1.095 242 V CB 0.375 32.157 31.823 -0.069 0.000 1.325 242 V HN 0.396 nan 8.190 nan 0.000 0.574 243 T N 1.083 115.606 114.554 -0.051 0.000 3.010 243 T HA 0.483 4.834 4.350 0.001 0.000 0.257 243 T C 1.037 175.737 174.700 -0.001 0.000 1.020 243 T CA 0.763 62.848 62.100 -0.024 0.000 0.938 243 T CB 0.018 68.877 68.868 -0.016 0.000 1.049 243 T HN 1.083 nan 8.240 nan 0.000 0.522 244 A N 1.941 124.740 122.820 -0.035 0.000 2.462 244 A HA 0.311 4.631 4.320 0.001 0.000 0.243 244 A C 1.458 179.016 177.584 -0.044 0.000 1.076 244 A CA -0.285 51.725 52.037 -0.045 0.000 0.773 244 A CB -0.064 18.847 19.000 -0.148 0.000 1.010 244 A HN 0.759 nan 8.150 nan 0.000 0.493 245 W N 2.424 123.713 121.300 -0.018 0.000 2.364 245 W HA -0.139 4.522 4.660 0.001 0.000 0.281 245 W C -0.114 176.392 176.519 -0.021 0.000 1.219 245 W CA 1.425 58.765 57.345 -0.009 0.000 1.220 245 W CB -0.432 29.028 29.460 0.000 0.000 1.127 245 W HN 0.743 nan 8.180 nan 0.000 0.556 246 D N 0.057 119.834 120.400 -1.037 0.000 2.424 246 D HA 0.022 4.663 4.640 0.001 0.000 0.220 246 D C -0.506 175.456 176.300 -0.563 0.000 1.150 246 D CA -0.296 53.071 54.000 -1.055 0.000 0.831 246 D CB -0.753 38.980 40.800 -1.778 0.000 0.981 246 D HN -0.197 nan 8.370 nan 0.000 0.500 247 D N 2.368 122.549 120.400 -0.364 0.000 2.389 247 D HA 0.060 4.701 4.640 0.001 0.000 0.247 247 D C -0.909 175.236 176.300 -0.258 0.000 1.128 247 D CA -1.369 52.471 54.000 -0.267 0.000 0.884 247 D CB 1.805 42.508 40.800 -0.163 0.000 1.194 247 D HN 0.060 nan 8.370 nan 0.000 0.441 248 P HA -0.127 nan 4.420 nan 0.000 0.217 248 P C -0.340 176.786 177.300 -0.290 0.000 1.151 248 P CA 1.045 63.870 63.100 -0.459 0.000 0.828 248 P CB 0.256 31.461 31.700 -0.825 0.000 0.788 249 Y N 0.046 120.369 120.300 0.038 0.000 2.326 249 Y HA 0.472 5.022 4.550 0.001 0.000 0.331 249 Y C 1.040 176.936 175.900 -0.007 0.000 0.962 249 Y CA -1.237 56.899 58.100 0.061 0.000 1.167 249 Y CB 1.389 39.932 38.460 0.140 0.000 1.148 249 Y HN -0.196 nan 8.280 nan 0.000 0.463 250 K N 0.867 121.318 120.400 0.086 0.000 2.092 250 K HA 0.776 5.096 4.320 0.001 0.000 0.256 250 K C 0.521 177.077 176.600 -0.073 0.000 1.041 250 K CA -0.670 55.602 56.287 -0.025 0.000 1.070 250 K CB 0.885 33.341 32.500 -0.073 0.000 1.707 250 K HN 0.724 nan 8.250 nan 0.000 0.750 251 G N 1.201 109.916 108.800 -0.141 0.000 2.598 251 G HA2 -0.319 3.642 3.960 0.001 0.000 0.269 251 G HA3 -0.319 3.642 3.960 0.001 0.000 0.269 251 G C 0.408 175.251 174.900 -0.094 0.000 1.289 251 G CA 0.513 45.517 45.100 -0.160 0.000 0.926 251 G HN 0.619 nan 8.290 nan 0.000 0.567 252 N N -0.586 118.100 118.700 -0.023 0.000 2.084 252 N HA -0.069 4.671 4.740 0.001 0.000 0.190 252 N C 2.102 177.588 175.510 -0.040 0.000 1.030 252 N CA 1.960 55.035 53.050 0.040 0.000 0.849 252 N CB -0.418 38.278 38.487 0.349 0.000 1.012 252 N HN 0.411 nan 8.380 nan 0.000 0.423 253 F N 1.240 120.975 119.950 -0.358 0.000 2.134 253 F HA 0.010 4.538 4.527 0.001 0.000 0.299 253 F C 2.588 178.025 175.800 -0.604 0.000 1.097 253 F CA 0.806 58.453 58.000 -0.588 0.000 1.264 253 F CB -1.274 37.446 39.000 -0.468 0.000 1.001 253 F HN 0.073 nan 8.300 nan 0.000 0.479 254 G N -0.887 107.848 108.800 -0.108 0.000 2.440 254 G HA2 -0.237 3.723 3.960 0.001 0.000 0.218 254 G HA3 -0.237 3.723 3.960 0.001 0.000 0.218 254 G C 1.581 176.351 174.900 -0.217 0.000 1.154 254 G CA 0.581 45.630 45.100 -0.084 0.000 0.767 254 G HN 0.354 nan 8.290 nan 0.000 0.552 255 Q N -0.349 119.307 119.800 -0.239 0.000 2.119 255 Q HA 0.106 4.446 4.340 0.001 0.000 0.201 255 Q C 2.691 178.474 176.000 -0.361 0.000 0.972 255 Q CA 0.605 56.251 55.803 -0.262 0.000 0.847 255 Q CB -0.200 28.399 28.738 -0.233 0.000 0.903 255 Q HN 0.438 nan 8.270 nan 0.000 0.433 256 L N 0.011 120.921 121.223 -0.522 0.000 2.131 256 L HA -0.195 4.146 4.340 0.001 0.000 0.210 256 L C 2.430 178.887 176.870 -0.688 0.000 1.092 256 L CA 0.952 55.403 54.840 -0.649 0.000 0.759 256 L CB -0.295 41.211 42.059 -0.921 0.000 0.903 256 L HN 0.323 nan 8.230 nan 0.000 0.435 257 M N -0.793 118.330 119.600 -0.794 0.000 2.117 257 M HA -0.186 4.294 4.480 0.001 0.000 0.262 257 M C 2.484 178.609 176.300 -0.291 0.000 1.065 257 M CA 1.937 56.925 55.300 -0.519 0.000 1.114 257 M CB -0.431 31.952 32.600 -0.361 0.000 1.361 257 M HN 0.312 nan 8.290 nan 0.000 0.408 258 A N -0.115 122.539 122.820 -0.276 0.000 1.969 258 A HA -0.113 4.207 4.320 0.001 0.000 0.218 258 A C 2.038 179.515 177.584 -0.177 0.000 1.169 258 A CA 1.077 52.984 52.037 -0.215 0.000 0.635 258 A CB -0.648 18.231 19.000 -0.202 0.000 0.810 258 A HN 0.418 nan 8.150 nan 0.000 0.445 259 L N -0.482 120.630 121.223 -0.185 0.000 2.093 259 L HA -0.093 4.247 4.340 0.001 0.000 0.208 259 L C 2.120 178.961 176.870 -0.048 0.000 1.085 259 L CA 1.764 56.546 54.840 -0.097 0.000 0.755 259 L CB -0.311 41.673 42.059 -0.124 0.000 0.904 259 L HN 0.130 nan 8.230 nan 0.000 0.435 260 K N -0.554 119.788 120.400 -0.097 0.000 2.097 260 K HA -0.129 4.192 4.320 0.001 0.000 0.206 260 K C 2.037 178.601 176.600 -0.060 0.000 1.049 260 K CA 0.985 57.243 56.287 -0.048 0.000 0.933 260 K CB -0.294 32.180 32.500 -0.043 0.000 0.717 260 K HN 0.438 nan 8.250 nan 0.000 0.442 261 Q N -0.104 119.636 119.800 -0.100 0.000 2.170 261 Q HA -0.040 4.300 4.340 0.001 0.000 0.203 261 Q C 1.957 177.869 176.000 -0.147 0.000 0.976 261 Q CA 1.358 57.094 55.803 -0.111 0.000 0.858 261 Q CB -0.235 28.425 28.738 -0.129 0.000 0.907 261 Q HN 0.295 nan 8.270 nan 0.000 0.433 262 A N 0.169 122.872 122.820 -0.195 0.000 2.021 262 A HA -0.051 4.270 4.320 0.001 0.000 0.216 262 A C 0.493 177.711 177.584 -0.609 0.000 1.163 262 A CA 0.554 52.364 52.037 -0.379 0.000 0.676 262 A CB 0.067 18.823 19.000 -0.408 0.000 0.818 262 A HN 0.262 nan 8.150 nan 0.000 0.453 263 H N -1.455 117.578 119.070 -0.062 0.000 2.488 263 H HA 0.212 4.768 4.556 0.001 0.000 0.237 263 H C -2.338 172.961 175.328 -0.048 0.000 1.395 263 H CA -1.458 54.560 56.048 -0.049 0.000 1.491 263 H CB 0.765 30.498 29.762 -0.048 0.000 1.567 263 H HN 0.189 nan 8.280 nan 0.000 0.508 264 P HA -0.137 nan 4.420 nan 0.000 0.218 264 P C 0.988 178.293 177.300 0.008 0.000 1.148 264 P CA 1.208 64.309 63.100 0.003 0.000 0.822 264 P CB 0.510 32.200 31.700 -0.016 0.000 0.784 265 D N -1.396 119.018 120.400 0.023 0.000 2.349 265 D HA 0.024 4.665 4.640 0.001 0.000 0.215 265 D C 0.707 176.994 176.300 -0.023 0.000 1.016 265 D CA 0.084 54.086 54.000 0.002 0.000 0.870 265 D CB -0.192 40.615 40.800 0.013 0.000 0.917 265 D HN 0.144 nan 8.370 nan 0.000 0.524 266 L N 1.879 123.098 121.223 -0.006 0.000 2.410 266 L HA 0.086 4.427 4.340 0.001 0.000 0.273 266 L C 0.015 176.840 176.870 -0.076 0.000 1.152 266 L CA -0.108 54.699 54.840 -0.055 0.000 0.855 266 L CB 0.459 42.495 42.059 -0.038 0.000 1.129 266 L HN -0.359 nan 8.230 nan 0.000 0.463 267 K N 7.321 127.621 120.400 -0.167 0.000 2.276 267 K HA 0.385 4.706 4.320 0.001 0.000 0.285 267 K C -0.695 175.900 176.600 -0.009 0.000 1.062 267 K CA 0.013 56.225 56.287 -0.125 0.000 0.918 267 K CB 0.806 33.119 32.500 -0.313 0.000 1.055 267 K HN 0.607 nan 8.250 nan 0.000 0.477 268 I N 5.352 125.969 120.570 0.079 0.000 2.355 268 I HA 0.297 4.467 4.170 0.001 0.000 0.288 268 I C -0.230 176.080 176.117 0.322 0.000 0.999 268 I CA -0.675 60.721 61.300 0.160 0.000 1.163 268 I CB 0.780 38.855 38.000 0.125 0.000 1.316 268 I HN 0.233 nan 8.210 nan 0.000 0.454 269 L N 8.324 129.734 121.223 0.311 0.000 2.346 269 L HA 0.586 4.926 4.340 0.001 0.000 0.274 269 L C -2.475 174.524 176.870 0.215 0.000 1.007 269 L CA -1.914 53.096 54.840 0.284 0.000 0.818 269 L CB 2.346 44.540 42.059 0.225 0.000 1.284 269 L HN 0.311 nan 8.230 nan 0.000 0.424 270 P HA 0.185 nan 4.420 nan 0.000 0.293 270 P C -1.026 176.320 177.300 0.077 0.000 1.300 270 P CA -0.436 62.525 63.100 -0.232 0.000 0.792 270 P CB 1.519 32.675 31.700 -0.907 0.000 0.925 271 S N 4.019 119.888 115.700 0.281 0.000 2.422 271 S HA 0.438 4.909 4.470 0.001 0.000 0.308 271 S C 0.458 175.366 174.600 0.513 0.000 1.097 271 S CA -0.572 57.890 58.200 0.438 0.000 1.099 271 S CB 0.127 63.712 63.200 0.641 0.000 0.976 271 S HN 0.327 nan 8.310 nan 0.000 0.471 272 I N 3.434 124.256 120.570 0.419 0.000 2.331 272 I HA 0.615 4.785 4.170 0.001 0.000 0.292 272 I C 1.031 177.404 176.117 0.426 0.000 0.998 272 I CA 0.121 61.650 61.300 0.382 0.000 1.267 272 I CB 0.779 39.001 38.000 0.370 0.000 1.386 272 I HN 0.896 nan 8.210 nan 0.000 0.476 273 G N 4.179 113.121 108.800 0.236 0.000 2.659 273 G HA2 0.325 4.286 3.960 0.001 0.000 0.214 273 G HA3 0.325 4.286 3.960 0.001 0.000 0.214 273 G C 0.012 174.603 174.900 -0.515 0.000 1.191 273 G CA -0.026 45.122 45.100 0.079 0.000 1.141 273 G HN 1.525 nan 8.290 nan 0.000 0.581 274 G N -2.138 106.317 108.800 -0.575 0.000 2.631 274 G HA2 0.067 4.027 3.960 0.001 0.000 0.504 274 G HA3 0.067 4.027 3.960 0.001 0.000 0.504 274 G C 0.790 175.454 174.900 -0.394 0.000 1.306 274 G CA 0.502 44.989 45.100 -1.022 0.000 0.897 274 G HN 1.896 nan 8.290 nan 0.000 0.520 275 W N 0.159 121.202 121.300 -0.428 0.000 2.335 275 W HA -0.183 4.477 4.660 0.001 0.000 0.311 275 W C 2.462 178.867 176.519 -0.191 0.000 1.213 275 W CA 3.245 60.426 57.345 -0.273 0.000 1.274 275 W CB -0.363 28.978 29.460 -0.199 0.000 1.148 275 W HN 0.996 nan 8.180 nan 0.000 0.498 276 T N -1.748 112.734 114.554 -0.121 0.000 3.107 276 T HA 0.121 4.472 4.350 0.001 0.000 0.249 276 T C 1.261 175.868 174.700 -0.156 0.000 1.096 276 T CA 0.225 62.230 62.100 -0.159 0.000 1.012 276 T CB -0.398 68.457 68.868 -0.022 0.000 0.977 276 T HN 0.128 nan 8.240 nan 0.000 0.527 277 L N 0.588 121.697 121.223 -0.190 0.000 3.168 277 L HA 0.421 4.761 4.340 0.001 0.000 0.277 277 L C 1.629 178.392 176.870 -0.178 0.000 1.245 277 L CA -0.196 54.537 54.840 -0.178 0.000 1.035 277 L CB 0.489 42.454 42.059 -0.157 0.000 1.399 277 L HN 0.134 nan 8.230 nan 0.000 0.580 278 S N -0.532 115.093 115.700 -0.126 0.000 2.503 278 S HA -0.054 4.416 4.470 0.001 0.000 0.217 278 S C 1.179 175.784 174.600 0.007 0.000 0.999 278 S CA 0.200 58.407 58.200 0.013 0.000 0.914 278 S CB 0.094 63.328 63.200 0.058 0.000 0.782 278 S HN 0.396 nan 8.310 nan 0.000 0.520 279 D N 2.293 122.726 120.400 0.055 0.000 2.149 279 D HA -0.105 4.535 4.640 0.001 0.000 0.194 279 D C -0.886 175.572 176.300 0.263 0.000 1.001 279 D CA 1.400 55.548 54.000 0.246 0.000 0.849 279 D CB -1.609 39.265 40.800 0.124 0.000 0.939 279 D HN 0.328 nan 8.370 nan 0.000 0.449 280 P HA -0.108 nan 4.420 nan 0.000 0.218 280 P C 1.185 178.434 177.300 -0.085 0.000 1.148 280 P CA 0.778 63.896 63.100 0.031 0.000 0.822 280 P CB -0.116 31.377 31.700 -0.345 0.000 0.784 281 F N -1.976 117.651 119.950 -0.538 0.000 2.202 281 F HA -0.131 4.396 4.527 0.001 0.000 0.301 281 F C 1.842 176.999 175.800 -1.072 0.000 1.082 281 F CA 1.158 58.450 58.000 -1.181 0.000 1.313 281 F CB -1.529 36.080 39.000 -2.319 0.000 1.024 281 F HN -0.124 nan 8.300 nan 0.000 0.495 282 F N -1.709 118.033 119.950 -0.347 0.000 2.494 282 F HA -0.139 4.388 4.527 0.001 0.000 0.298 282 F C 1.629 177.199 175.800 -0.384 0.000 1.106 282 F CA 0.920 58.778 58.000 -0.236 0.000 1.452 282 F CB -1.021 37.816 39.000 -0.271 0.000 1.085 282 F HN -0.079 nan 8.300 nan 0.000 0.569 283 F N -1.716 118.249 119.950 0.024 0.000 2.721 283 F HA 0.152 4.679 4.527 0.001 0.000 0.301 283 F C 1.760 177.425 175.800 -0.226 0.000 1.096 283 F CA 0.135 58.090 58.000 -0.075 0.000 1.308 283 F CB -0.548 38.393 39.000 -0.098 0.000 1.086 283 F HN -0.142 nan 8.300 nan 0.000 0.587 284 M N 0.116 119.655 119.600 -0.103 0.000 2.740 284 M HA 0.048 4.529 4.480 0.001 0.000 0.230 284 M C 2.093 178.361 176.300 -0.054 0.000 1.100 284 M CA 0.564 55.776 55.300 -0.148 0.000 1.047 284 M CB -0.729 31.748 32.600 -0.204 0.000 1.652 284 M HN 0.263 nan 8.290 nan 0.000 0.528 285 G N 0.188 108.983 108.800 -0.009 0.000 2.484 285 G HA2 -0.154 3.806 3.960 0.001 0.000 0.218 285 G HA3 -0.154 3.806 3.960 0.001 0.000 0.218 285 G C 0.319 175.218 174.900 -0.002 0.000 1.130 285 G CA 0.147 45.262 45.100 0.025 0.000 0.784 285 G HN 0.383 nan 8.290 nan 0.000 0.543 286 D N 0.049 120.429 120.400 -0.034 0.000 2.352 286 D HA 0.173 4.813 4.640 0.001 0.000 0.245 286 D C 1.496 177.759 176.300 -0.061 0.000 1.224 286 D CA -0.403 53.567 54.000 -0.050 0.000 0.879 286 D CB 1.236 41.987 40.800 -0.082 0.000 1.057 286 D HN -0.042 nan 8.370 nan 0.000 0.491 287 K N 2.770 123.152 120.400 -0.029 0.000 2.160 287 K HA -0.135 4.185 4.320 0.001 0.000 0.206 287 K C 1.603 178.187 176.600 -0.025 0.000 1.047 287 K CA 1.256 57.532 56.287 -0.017 0.000 0.930 287 K CB -0.262 32.236 32.500 -0.003 0.000 0.720 287 K HN 0.372 nan 8.250 nan 0.000 0.450 288 V N 0.896 120.787 119.914 -0.040 0.000 2.295 288 V HA -0.284 3.837 4.120 0.001 0.000 0.246 288 V C 2.110 178.169 176.094 -0.058 0.000 1.049 288 V CA 2.146 64.423 62.300 -0.039 0.000 1.024 288 V CB -0.403 31.395 31.823 -0.041 0.000 0.648 288 V HN 0.360 nan 8.190 nan 0.000 0.447 289 K N -0.288 120.028 120.400 -0.140 0.000 2.057 289 K HA -0.149 4.172 4.320 0.001 0.000 0.206 289 K C 2.406 178.955 176.600 -0.086 0.000 1.050 289 K CA 1.280 57.427 56.287 -0.232 0.000 0.935 289 K CB -0.229 31.886 32.500 -0.642 0.000 0.715 289 K HN 0.267 nan 8.250 nan 0.000 0.439 290 R N 1.199 121.662 120.500 -0.061 0.000 2.081 290 R HA -0.152 4.188 4.340 0.001 0.000 0.235 290 R C 1.486 177.857 176.300 0.117 0.000 1.131 290 R CA 1.804 57.931 56.100 0.044 0.000 0.960 290 R CB 0.002 30.316 30.300 0.023 0.000 0.856 290 R HN 0.130 nan 8.270 nan 0.000 0.436 291 D N -0.327 120.108 120.400 0.058 0.000 2.117 291 D HA -0.173 4.468 4.640 0.001 0.000 0.198 291 D C 1.837 178.173 176.300 0.061 0.000 0.982 291 D CA 0.978 55.009 54.000 0.052 0.000 0.828 291 D CB -0.196 40.619 40.800 0.025 0.000 0.967 291 D HN 0.234 nan 8.370 nan 0.000 0.464 292 R N -0.389 120.154 120.500 0.071 0.000 2.081 292 R HA -0.160 4.180 4.340 0.001 0.000 0.235 292 R C 2.263 178.633 176.300 0.118 0.000 1.131 292 R CA 0.906 57.056 56.100 0.083 0.000 0.960 292 R CB -0.451 29.906 30.300 0.095 0.000 0.856 292 R HN 0.146 nan 8.270 nan 0.000 0.436 293 F N 0.879 120.832 119.950 0.005 0.000 2.051 293 F HA -0.192 4.335 4.527 0.001 0.000 0.296 293 F C 1.964 177.758 175.800 -0.009 0.000 1.122 293 F CA 1.625 59.622 58.000 -0.004 0.000 1.201 293 F CB -0.641 38.352 39.000 -0.012 0.000 0.978 293 F HN -0.197 nan 8.300 nan 0.000 0.472 294 V N 0.738 120.612 119.914 -0.067 0.000 2.392 294 V HA -0.271 3.849 4.120 0.001 0.000 0.249 294 V C 2.742 178.734 176.094 -0.168 0.000 1.059 294 V CA 1.961 64.152 62.300 -0.182 0.000 1.051 294 V CB -1.746 30.071 31.823 -0.009 0.000 0.658 294 V HN 0.597 nan 8.190 nan 0.000 0.455 295 G N 0.121 108.872 108.800 -0.081 0.000 2.418 295 G HA2 -0.266 3.695 3.960 0.001 0.000 0.217 295 G HA3 -0.266 3.695 3.960 0.001 0.000 0.217 295 G C 1.857 176.719 174.900 -0.064 0.000 1.158 295 G CA 1.283 46.351 45.100 -0.054 0.000 0.771 295 G HN 0.655 nan 8.290 nan 0.000 0.545 296 S N 0.202 115.850 115.700 -0.085 0.000 2.402 296 S HA -0.052 4.419 4.470 0.001 0.000 0.229 296 S C 2.258 176.806 174.600 -0.086 0.000 1.021 296 S CA 1.278 59.445 58.200 -0.054 0.000 0.974 296 S CB -0.291 62.880 63.200 -0.048 0.000 0.800 296 S HN 0.098 nan 8.310 nan 0.000 0.484 297 V N 2.344 122.103 119.914 -0.260 0.000 2.358 297 V HA -0.128 3.992 4.120 0.001 0.000 0.246 297 V C 2.763 178.820 176.094 -0.061 0.000 1.047 297 V CA 2.085 64.238 62.300 -0.245 0.000 1.035 297 V CB -0.777 30.784 31.823 -0.438 0.000 0.658 297 V HN 0.564 nan 8.190 nan 0.000 0.452 298 K N 0.315 120.660 120.400 -0.092 0.000 2.032 298 K HA -0.274 4.047 4.320 0.001 0.000 0.209 298 K C 2.259 178.849 176.600 -0.017 0.000 1.048 298 K CA 2.142 58.385 56.287 -0.074 0.000 0.927 298 K CB -0.182 32.269 32.500 -0.081 0.000 0.712 298 K HN 0.575 nan 8.250 nan 0.000 0.441 299 E N -0.448 119.763 120.200 0.020 0.000 2.153 299 E HA -0.211 4.140 4.350 0.001 0.000 0.194 299 E C 1.856 178.513 176.600 0.095 0.000 0.988 299 E CA 0.959 57.384 56.400 0.042 0.000 0.811 299 E CB -0.179 29.559 29.700 0.063 0.000 0.746 299 E HN 0.375 nan 8.360 nan 0.000 0.466 300 F N 1.073 121.037 119.950 0.022 0.000 2.102 300 F HA -0.136 4.392 4.527 0.001 0.000 0.298 300 F C 1.889 177.762 175.800 0.122 0.000 1.105 300 F CA 1.358 59.442 58.000 0.140 0.000 1.239 300 F CB -0.074 38.997 39.000 0.117 0.000 0.991 300 F HN -0.003 nan 8.300 nan 0.000 0.474 301 L N -0.242 121.100 121.223 0.198 0.000 2.141 301 L HA -0.206 4.134 4.340 0.001 0.000 0.209 301 L C 2.326 179.182 176.870 -0.023 0.000 1.094 301 L CA 1.190 56.076 54.840 0.076 0.000 0.763 301 L CB -0.728 41.328 42.059 -0.006 0.000 0.908 301 L HN 0.245 nan 8.230 nan 0.000 0.437 302 Q N -0.953 118.813 119.800 -0.057 0.000 2.230 302 Q HA -0.111 4.230 4.340 0.001 0.000 0.202 302 Q C 2.045 177.945 176.000 -0.167 0.000 0.963 302 Q CA 1.587 57.342 55.803 -0.079 0.000 0.866 302 Q CB 0.027 28.725 28.738 -0.067 0.000 0.931 302 Q HN 0.468 nan 8.270 nan 0.000 0.452 303 T N -0.595 113.783 114.554 -0.293 0.000 2.852 303 T HA -0.063 4.288 4.350 0.001 0.000 0.256 303 T C -0.150 174.083 174.700 -0.779 0.000 1.038 303 T CA 0.643 62.379 62.100 -0.606 0.000 1.141 303 T CB -0.030 68.332 68.868 -0.842 0.000 0.869 303 T HN 0.300 nan 8.240 nan 0.000 0.439 304 W N 2.738 123.873 121.300 -0.276 0.000 2.296 304 W HA 0.473 5.133 4.660 0.001 0.000 0.333 304 W C 0.889 177.184 176.519 -0.374 0.000 0.931 304 W CA -1.056 56.078 57.345 -0.352 0.000 1.538 304 W CB 0.246 29.384 29.460 -0.536 0.000 1.417 304 W HN 0.025 nan 8.180 nan 0.000 0.380 305 K N 1.126 121.493 120.400 -0.054 0.000 2.280 305 K HA -0.176 4.144 4.320 0.001 0.000 0.202 305 K C 1.528 178.111 176.600 -0.029 0.000 1.047 305 K CA 1.296 57.575 56.287 -0.014 0.000 0.942 305 K CB -0.230 32.286 32.500 0.027 0.000 0.739 305 K HN 0.572 nan 8.250 nan 0.000 0.457 306 F N -0.389 119.495 119.950 -0.110 0.000 2.604 306 F HA 0.115 4.643 4.527 0.001 0.000 0.298 306 F C 0.365 176.043 175.800 -0.203 0.000 1.131 306 F CA -0.328 57.546 58.000 -0.209 0.000 1.457 306 F CB -0.478 38.306 39.000 -0.360 0.000 1.095 306 F HN -0.288 nan 8.300 nan 0.000 0.574 307 F N 2.257 121.823 119.950 -0.640 0.000 2.399 307 F HA 0.204 4.731 4.527 0.001 0.000 0.342 307 F C 1.059 176.836 175.800 -0.039 0.000 1.106 307 F CA -0.970 56.813 58.000 -0.362 0.000 1.196 307 F CB 0.412 39.172 39.000 -0.401 0.000 1.163 307 F HN 0.019 nan 8.300 nan 0.000 0.547 308 D N 2.022 122.585 120.400 0.272 0.000 2.463 308 D HA 0.335 4.975 4.640 0.001 0.000 0.224 308 D C 0.972 177.470 176.300 0.331 0.000 1.174 308 D CA 0.403 54.541 54.000 0.232 0.000 0.829 308 D CB 0.549 41.421 40.800 0.120 0.000 0.993 308 D HN 0.751 nan 8.370 nan 0.000 0.497 309 G N -0.250 108.754 108.800 0.340 0.000 2.366 309 G HA2 0.157 4.117 3.960 0.001 0.000 0.190 309 G HA3 0.157 4.117 3.960 0.001 0.000 0.190 309 G C -1.823 173.159 174.900 0.137 0.000 1.299 309 G CA -0.106 45.155 45.100 0.268 0.000 1.056 309 G HN 0.184 nan 8.290 nan 0.000 0.468 310 V N 0.343 120.333 119.914 0.128 0.000 2.969 310 V HA 0.687 4.808 4.120 0.001 0.000 0.304 310 V C -2.041 174.152 176.094 0.164 0.000 1.192 310 V CA -0.065 62.289 62.300 0.090 0.000 0.962 310 V CB 2.138 33.980 31.823 0.031 0.000 1.045 310 V HN 1.169 nan 8.190 nan 0.000 0.428 311 D N 5.150 125.670 120.400 0.200 0.000 2.391 311 D HA 0.497 5.138 4.640 0.001 0.000 0.245 311 D C -0.876 175.608 176.300 0.307 0.000 1.069 311 D CA -0.397 53.777 54.000 0.289 0.000 0.831 311 D CB 1.348 42.355 40.800 0.345 0.000 1.204 311 D HN 0.405 nan 8.370 nan 0.000 0.503 312 I N 3.571 124.310 120.570 0.281 0.000 2.307 312 I HA 0.235 4.405 4.170 0.001 0.000 0.289 312 I C -0.532 175.732 176.117 0.245 0.000 1.021 312 I CA -0.571 60.879 61.300 0.249 0.000 1.224 312 I CB 1.201 39.272 38.000 0.119 0.000 1.376 312 I HN 0.369 nan 8.210 nan 0.000 0.470 313 D N 6.623 127.181 120.400 0.262 0.000 2.514 313 D HA 0.069 4.709 4.640 0.001 0.000 0.267 313 D C -0.409 175.957 176.300 0.110 0.000 1.165 313 D CA -0.185 53.954 54.000 0.232 0.000 0.958 313 D CB 0.472 41.461 40.800 0.315 0.000 0.992 313 D HN 0.360 nan 8.370 nan 0.000 0.506 314 W N 3.073 124.191 121.300 -0.303 0.000 2.387 314 W HA 0.350 5.010 4.660 0.001 0.000 0.310 314 W C -1.485 174.883 176.519 -0.253 0.000 1.181 314 W CA -1.138 55.895 57.345 -0.521 0.000 1.333 314 W CB 0.206 29.147 29.460 -0.866 0.000 1.286 314 W HN 0.020 nan 8.180 nan 0.000 0.455 315 L N 9.073 130.330 121.223 0.057 0.000 2.313 315 L HA 0.433 4.774 4.340 0.001 0.000 0.273 315 L C -0.952 175.610 176.870 -0.513 0.000 1.028 315 L CA -0.317 54.153 54.840 -0.617 0.000 0.871 315 L CB -0.279 41.270 42.059 -0.850 0.000 1.242 315 L HN 0.111 nan 8.230 nan 0.000 0.434 316 F N 1.919 121.987 119.950 0.197 0.000 2.626 316 F HA 0.598 5.125 4.527 0.001 0.000 0.311 316 F C -2.343 173.163 175.800 -0.489 0.000 1.088 316 F CA -2.558 55.338 58.000 -0.174 0.000 0.949 316 F CB 1.311 40.261 39.000 -0.083 0.000 1.322 316 F HN 0.146 nan 8.300 nan 0.000 0.461 317 P HA 0.245 nan 4.420 nan 0.000 0.267 317 P C 0.616 177.766 177.300 -0.250 0.000 1.205 317 P CA 1.260 63.761 63.100 -0.999 0.000 0.765 317 P CB 0.575 31.587 31.700 -1.146 0.000 0.828 318 G N 1.963 110.782 108.800 0.032 0.000 2.213 318 G HA2 0.077 4.037 3.960 0.001 0.000 0.236 318 G HA3 0.077 4.037 3.960 0.001 0.000 0.236 318 G C 0.509 175.511 174.900 0.169 0.000 0.991 318 G CA 0.109 45.258 45.100 0.082 0.000 0.629 318 G HN 1.018 nan 8.290 nan 0.000 0.517 319 G N -0.479 108.529 108.800 0.347 0.000 2.500 319 G HA2 0.358 4.319 3.960 0.001 0.000 0.209 319 G HA3 0.358 4.319 3.960 0.001 0.000 0.209 319 G C 0.421 175.483 174.900 0.271 0.000 1.283 319 G CA 0.547 45.781 45.100 0.223 0.000 0.960 319 G HN 1.453 nan 8.290 nan 0.000 0.528 320 K N -2.031 118.466 120.400 0.162 0.000 3.446 320 K HA -0.134 4.186 4.320 0.001 0.000 0.312 320 K C 1.226 178.042 176.600 0.360 0.000 1.329 320 K CA 2.428 58.849 56.287 0.223 0.000 0.935 320 K CB -1.980 30.641 32.500 0.202 0.000 1.281 320 K HN 1.897 nan 8.250 nan 0.000 0.457 321 G N 0.063 108.964 108.800 0.168 0.000 2.546 321 G HA2 0.467 4.428 3.960 0.001 0.000 0.239 321 G HA3 0.467 4.428 3.960 0.001 0.000 0.239 321 G C 1.235 175.776 174.900 -0.598 0.000 1.476 321 G CA 0.332 45.263 45.100 -0.282 0.000 1.064 321 G HN 0.187 nan 8.290 nan 0.000 0.561 322 A N -0.842 121.221 122.820 -1.260 0.000 1.969 322 A HA 0.038 4.358 4.320 0.001 0.000 0.218 322 A C 1.456 178.829 177.584 -0.351 0.000 1.169 322 A CA 0.889 52.385 52.037 -0.901 0.000 0.635 322 A CB -0.355 17.926 19.000 -1.198 0.000 0.810 322 A HN 0.436 nan 8.150 nan 0.000 0.445 323 N N 0.451 118.961 118.700 -0.317 0.000 2.420 323 N HA 0.191 4.931 4.740 0.001 0.000 0.249 323 N C -2.023 173.371 175.510 -0.193 0.000 1.033 323 N CA -1.788 51.133 53.050 -0.215 0.000 0.944 323 N CB 1.456 39.812 38.487 -0.219 0.000 1.113 323 N HN 0.113 nan 8.380 nan 0.000 0.502 324 P HA -0.001 nan 4.420 nan 0.000 0.234 324 P C -0.075 177.155 177.300 -0.115 0.000 1.167 324 P CA 0.706 63.753 63.100 -0.088 0.000 0.763 324 P CB 0.542 32.219 31.700 -0.040 0.000 0.835 325 N N -0.309 118.302 118.700 -0.150 0.000 2.235 325 N HA 0.194 4.934 4.740 0.001 0.000 0.209 325 N C 0.393 175.759 175.510 -0.239 0.000 1.122 325 N CA 0.186 53.147 53.050 -0.150 0.000 0.845 325 N CB 0.788 39.214 38.487 -0.102 0.000 1.004 325 N HN 0.283 nan 8.380 nan 0.000 0.499 326 L N -0.651 120.336 121.223 -0.393 0.000 2.333 326 L HA 0.750 5.090 4.340 0.001 0.000 0.263 326 L C 0.224 176.668 176.870 -0.710 0.000 1.014 326 L CA -0.927 53.502 54.840 -0.685 0.000 0.820 326 L CB 2.256 43.610 42.059 -1.174 0.000 1.352 326 L HN 0.039 nan 8.230 nan 0.000 0.421 327 G N 0.933 109.387 108.800 -0.576 0.000 3.014 327 G HA2 0.260 4.221 3.960 0.001 0.000 0.683 327 G HA3 0.260 4.221 3.960 0.001 0.000 0.683 327 G C -0.930 173.982 174.900 0.020 0.000 1.271 327 G CA -0.224 44.834 45.100 -0.069 0.000 0.843 327 G HN 0.911 nan 8.290 nan 0.000 0.612 328 S N 1.799 117.571 115.700 0.121 0.000 2.638 328 S HA 0.864 5.335 4.470 0.001 0.000 0.274 328 S C -2.356 172.275 174.600 0.052 0.000 1.157 328 S CA -0.998 57.236 58.200 0.058 0.000 0.826 328 S CB 2.553 65.781 63.200 0.047 0.000 1.139 328 S HN 0.301 nan 8.310 nan 0.000 0.474 329 P HA 0.007 nan 4.420 nan 0.000 0.225 329 P C 0.873 178.176 177.300 0.005 0.000 1.148 329 P CA 0.982 64.082 63.100 0.001 0.000 0.779 329 P CB -0.056 31.641 31.700 -0.005 0.000 0.780 330 Q N -0.974 118.845 119.800 0.031 0.000 2.311 330 Q HA -0.096 4.245 4.340 0.001 0.000 0.203 330 Q C 1.343 177.381 176.000 0.064 0.000 0.954 330 Q CA 0.693 56.521 55.803 0.042 0.000 0.885 330 Q CB -0.454 28.317 28.738 0.055 0.000 0.963 330 Q HN 0.270 nan 8.270 nan 0.000 0.471 331 D N 1.008 121.456 120.400 0.080 0.000 2.133 331 D HA -0.169 4.471 4.640 0.001 0.000 0.195 331 D C 1.953 178.205 176.300 -0.080 0.000 0.997 331 D CA 1.604 55.645 54.000 0.069 0.000 0.840 331 D CB -0.549 40.241 40.800 -0.016 0.000 0.947 331 D HN 0.427 nan 8.370 nan 0.000 0.452 332 G N 0.661 109.385 108.800 -0.126 0.000 2.446 332 G HA2 -0.326 3.634 3.960 0.001 0.000 0.217 332 G HA3 -0.326 3.634 3.960 0.001 0.000 0.217 332 G C 1.450 176.316 174.900 -0.057 0.000 1.168 332 G CA 0.999 45.996 45.100 -0.171 0.000 0.771 332 G HN 0.391 nan 8.290 nan 0.000 0.551 333 E N -0.134 120.061 120.200 -0.008 0.000 2.072 333 E HA -0.123 4.228 4.350 0.001 0.000 0.191 333 E C 2.502 179.149 176.600 0.077 0.000 0.985 333 E CA 1.491 57.906 56.400 0.026 0.000 0.801 333 E CB -0.225 29.488 29.700 0.021 0.000 0.750 333 E HN 0.354 nan 8.360 nan 0.000 0.452 334 T N 0.212 114.840 114.554 0.123 0.000 2.720 334 T HA -0.212 4.138 4.350 0.001 0.000 0.268 334 T C 1.444 176.290 174.700 0.242 0.000 1.037 334 T CA 1.530 63.742 62.100 0.187 0.000 1.144 334 T CB -0.553 68.484 68.868 0.282 0.000 0.864 334 T HN 0.352 nan 8.240 nan 0.000 0.444 335 Y N 1.796 122.170 120.300 0.124 0.000 2.114 335 Y HA -0.179 4.371 4.550 0.001 0.000 0.284 335 Y C 2.355 178.275 175.900 0.033 0.000 1.143 335 Y CA 0.988 59.140 58.100 0.086 0.000 1.135 335 Y CB -0.641 37.711 38.460 -0.180 0.000 0.980 335 Y HN -0.033 nan 8.280 nan 0.000 0.499 336 V N 0.493 120.529 119.914 0.203 0.000 2.343 336 V HA -0.335 3.786 4.120 0.001 0.000 0.247 336 V C 2.472 178.585 176.094 0.032 0.000 1.051 336 V CA 2.042 64.405 62.300 0.104 0.000 1.036 336 V CB -0.811 31.055 31.823 0.072 0.000 0.654 336 V HN 0.455 nan 8.190 nan 0.000 0.451 337 L N -0.929 120.320 121.223 0.044 0.000 2.017 337 L HA -0.195 4.145 4.340 0.001 0.000 0.208 337 L C 2.456 179.338 176.870 0.021 0.000 1.073 337 L CA 1.395 56.255 54.840 0.034 0.000 0.745 337 L CB -0.570 41.516 42.059 0.046 0.000 0.894 337 L HN 0.345 nan 8.230 nan 0.000 0.432 338 L N -0.621 120.611 121.223 0.015 0.000 1.989 338 L HA -0.251 4.090 4.340 0.001 0.000 0.211 338 L C 2.515 179.370 176.870 -0.025 0.000 1.071 338 L CA 1.928 56.776 54.840 0.013 0.000 0.749 338 L CB -0.411 41.651 42.059 0.005 0.000 0.890 338 L HN 0.167 nan 8.230 nan 0.000 0.431 339 M N -0.587 118.940 119.600 -0.120 0.000 2.159 339 M HA -0.196 4.285 4.480 0.001 0.000 0.263 339 M C 2.217 178.503 176.300 -0.023 0.000 1.063 339 M CA 1.598 56.840 55.300 -0.097 0.000 1.110 339 M CB -1.200 31.312 32.600 -0.146 0.000 1.374 339 M HN 0.293 nan 8.290 nan 0.000 0.411 340 K N 0.188 120.583 120.400 -0.008 0.000 2.057 340 K HA -0.155 4.165 4.320 0.001 0.000 0.207 340 K C 1.975 178.581 176.600 0.011 0.000 1.049 340 K CA 1.301 57.593 56.287 0.008 0.000 0.931 340 K CB -0.136 32.372 32.500 0.013 0.000 0.714 340 K HN 0.431 nan 8.250 nan 0.000 0.440 341 E N 0.843 121.052 120.200 0.015 0.000 2.106 341 E HA -0.122 4.228 4.350 0.001 0.000 0.192 341 E C 2.007 178.615 176.600 0.014 0.000 0.984 341 E CA 0.753 57.165 56.400 0.020 0.000 0.806 341 E CB 0.020 29.740 29.700 0.034 0.000 0.750 341 E HN 0.191 nan 8.360 nan 0.000 0.458 342 L N 0.331 121.564 121.223 0.017 0.000 2.093 342 L HA -0.148 4.193 4.340 0.001 0.000 0.208 342 L C 2.575 179.443 176.870 -0.003 0.000 1.085 342 L CA 0.808 55.651 54.840 0.004 0.000 0.755 342 L CB -0.179 41.893 42.059 0.022 0.000 0.904 342 L HN 0.025 nan 8.230 nan 0.000 0.435 343 R N 0.655 121.160 120.500 0.008 0.000 2.096 343 R HA -0.103 4.237 4.340 0.001 0.000 0.235 343 R C 2.153 178.460 176.300 0.012 0.000 1.127 343 R CA 1.587 57.697 56.100 0.016 0.000 0.968 343 R CB -0.555 29.757 30.300 0.019 0.000 0.861 343 R HN 0.313 nan 8.270 nan 0.000 0.440 344 A N 0.537 123.361 122.820 0.007 0.000 1.898 344 A HA -0.127 4.193 4.320 0.001 0.000 0.216 344 A C 2.169 179.750 177.584 -0.005 0.000 1.181 344 A CA 1.563 53.603 52.037 0.005 0.000 0.620 344 A CB -0.594 18.410 19.000 0.006 0.000 0.819 344 A HN 0.443 nan 8.150 nan 0.000 0.442 345 M N -0.077 119.512 119.600 -0.019 0.000 2.117 345 M HA -0.063 4.417 4.480 0.001 0.000 0.262 345 M C 1.855 178.115 176.300 -0.068 0.000 1.065 345 M CA 1.700 56.975 55.300 -0.043 0.000 1.114 345 M CB -0.815 31.750 32.600 -0.059 0.000 1.361 345 M HN 0.418 nan 8.290 nan 0.000 0.408 346 L N -0.006 121.178 121.223 -0.064 0.000 2.141 346 L HA -0.212 4.128 4.340 0.001 0.000 0.209 346 L C 2.009 178.887 176.870 0.012 0.000 1.094 346 L CA 0.917 55.705 54.840 -0.086 0.000 0.763 346 L CB -0.840 41.208 42.059 -0.018 0.000 0.908 346 L HN 0.244 nan 8.230 nan 0.000 0.437 347 D N -0.324 120.095 120.400 0.031 0.000 2.117 347 D HA -0.225 4.416 4.640 0.001 0.000 0.198 347 D C 2.103 178.429 176.300 0.044 0.000 0.982 347 D CA 1.049 55.081 54.000 0.054 0.000 0.828 347 D CB -0.037 40.785 40.800 0.037 0.000 0.967 347 D HN 0.358 nan 8.370 nan 0.000 0.464 348 Q N -0.035 119.773 119.800 0.014 0.000 2.124 348 Q HA -0.144 4.197 4.340 0.001 0.000 0.202 348 Q C 2.181 178.187 176.000 0.010 0.000 0.977 348 Q CA 0.733 56.541 55.803 0.008 0.000 0.850 348 Q CB -0.070 28.663 28.738 -0.008 0.000 0.901 348 Q HN 0.137 nan 8.270 nan 0.000 0.429 349 L N 0.222 121.432 121.223 -0.021 0.000 2.056 349 L HA -0.112 4.229 4.340 0.001 0.000 0.207 349 L C 2.180 179.126 176.870 0.127 0.000 1.078 349 L CA 1.776 56.595 54.840 -0.034 0.000 0.749 349 L CB -0.519 41.379 42.059 -0.269 0.000 0.901 349 L HN 0.081 nan 8.230 nan 0.000 0.433 350 S N -1.332 114.494 115.700 0.210 0.000 2.382 350 S HA -0.184 4.287 4.470 0.001 0.000 0.228 350 S C 1.947 176.626 174.600 0.131 0.000 1.027 350 S CA 1.384 59.742 58.200 0.262 0.000 0.991 350 S CB -0.524 62.805 63.200 0.216 0.000 0.823 350 S HN 0.406 nan 8.310 nan 0.000 0.469 351 V N 1.417 121.383 119.914 0.086 0.000 2.809 351 V HA -0.097 4.024 4.120 0.001 0.000 0.256 351 V C 1.878 178.002 176.094 0.050 0.000 1.080 351 V CA 1.572 63.904 62.300 0.055 0.000 1.102 351 V CB -0.353 31.493 31.823 0.038 0.000 0.705 351 V HN 0.452 nan 8.190 nan 0.000 0.475 352 E N -0.118 120.118 120.200 0.059 0.000 2.086 352 E HA -0.096 4.254 4.350 0.001 0.000 0.190 352 E C 2.147 178.783 176.600 0.059 0.000 0.975 352 E CA 1.540 57.968 56.400 0.048 0.000 0.813 352 E CB -0.050 29.671 29.700 0.036 0.000 0.768 352 E HN 0.784 nan 8.360 nan 0.000 0.457 353 T N -3.626 110.986 114.554 0.097 0.000 3.015 353 T HA 0.248 4.598 4.350 0.001 0.000 0.250 353 T C 1.594 176.332 174.700 0.063 0.000 1.057 353 T CA 0.552 62.708 62.100 0.094 0.000 1.066 353 T CB 0.791 69.756 68.868 0.162 0.000 0.959 353 T HN 0.267 nan 8.240 nan 0.000 0.488 354 G N 1.766 110.604 108.800 0.063 0.000 2.179 354 G HA2 -0.253 3.707 3.960 0.001 0.000 0.260 354 G HA3 -0.253 3.707 3.960 0.001 0.000 0.260 354 G C 0.194 175.083 174.900 -0.018 0.000 0.977 354 G CA 0.124 45.239 45.100 0.025 0.000 0.641 354 G HN 0.717 nan 8.290 nan 0.000 0.533 355 R N -0.271 120.197 120.500 -0.054 0.000 2.553 355 R HA 0.647 4.988 4.340 0.001 0.000 0.263 355 R C -0.147 175.934 176.300 -0.365 0.000 1.066 355 R CA -0.687 55.267 56.100 -0.243 0.000 1.135 355 R CB 0.597 30.657 30.300 -0.400 0.000 1.148 355 R HN -0.047 nan 8.270 nan 0.000 0.558 356 K N 1.702 121.848 120.400 -0.423 0.000 2.206 356 K HA 0.321 4.642 4.320 0.001 0.000 0.264 356 K C -1.126 175.198 176.600 -0.461 0.000 0.967 356 K CA -0.418 55.692 56.287 -0.295 0.000 0.844 356 K CB 1.323 33.749 32.500 -0.123 0.000 1.099 356 K HN 0.438 nan 8.250 nan 0.000 0.441 357 Y N 0.329 120.654 120.300 0.040 0.000 2.446 357 Y HA 0.307 4.858 4.550 0.001 0.000 0.345 357 Y C 0.614 176.551 175.900 0.061 0.000 0.984 357 Y CA -0.786 57.346 58.100 0.053 0.000 1.058 357 Y CB 1.858 40.346 38.460 0.046 0.000 1.220 357 Y HN 0.420 nan 8.280 nan 0.000 0.455 358 E N 2.190 122.534 120.200 0.239 0.000 2.248 358 E HA 0.511 4.861 4.350 0.001 0.000 0.272 358 E C -1.580 175.129 176.600 0.181 0.000 1.008 358 E CA -1.083 55.431 56.400 0.191 0.000 0.856 358 E CB 2.241 32.088 29.700 0.245 0.000 1.120 358 E HN 0.360 nan 8.360 nan 0.000 0.397 359 L N 2.029 123.329 121.223 0.130 0.000 2.404 359 L HA 0.379 4.720 4.340 0.001 0.000 0.272 359 L C -0.681 176.251 176.870 0.103 0.000 0.980 359 L CA -0.023 54.884 54.840 0.112 0.000 0.836 359 L CB 1.522 43.623 42.059 0.070 0.000 1.238 359 L HN 0.680 nan 8.230 nan 0.000 0.408 360 T N 0.696 115.346 114.554 0.160 0.000 2.831 360 T HA 0.892 5.242 4.350 0.001 0.000 0.287 360 T C -0.600 174.227 174.700 0.211 0.000 1.070 360 T CA -0.667 61.523 62.100 0.148 0.000 1.010 360 T CB 1.710 70.729 68.868 0.250 0.000 1.264 360 T HN 0.697 nan 8.240 nan 0.000 0.532 361 S N -0.840 114.990 115.700 0.216 0.000 2.535 361 S HA 0.658 5.129 4.470 0.001 0.000 0.272 361 S C -1.395 173.399 174.600 0.323 0.000 1.149 361 S CA -0.414 57.965 58.200 0.298 0.000 0.888 361 S CB 1.036 64.421 63.200 0.309 0.000 1.110 361 S HN 1.384 nan 8.310 nan 0.000 0.463 362 A N 4.113 127.155 122.820 0.370 0.000 2.290 362 A HA 0.822 5.142 4.320 0.001 0.000 0.310 362 A C -0.050 177.668 177.584 0.224 0.000 1.202 362 A CA -0.711 51.511 52.037 0.309 0.000 0.837 362 A CB -0.070 19.132 19.000 0.337 0.000 1.139 362 A HN 1.197 nan 8.150 nan 0.000 0.509 363 I N -0.302 120.352 120.570 0.139 0.000 3.042 363 I HA 0.712 4.882 4.170 0.001 0.000 0.310 363 I C 0.068 176.225 176.117 0.066 0.000 1.117 363 I CA -0.793 60.567 61.300 0.101 0.000 1.003 363 I CB 1.969 39.934 38.000 -0.058 0.000 1.228 363 I HN 0.464 nan 8.210 nan 0.000 0.443 364 S N 1.712 117.441 115.700 0.049 0.000 2.568 364 S HA 0.446 4.916 4.470 0.001 0.000 0.282 364 S C 0.854 175.380 174.600 -0.123 0.000 1.338 364 S CA 0.247 58.368 58.200 -0.131 0.000 1.045 364 S CB 1.089 63.965 63.200 -0.541 0.000 0.873 364 S HN 0.866 nan 8.310 nan 0.000 0.516 365 A N 3.736 126.496 122.820 -0.099 0.000 2.308 365 A HA 0.439 4.759 4.320 0.001 0.000 0.217 365 A C 1.018 178.621 177.584 0.031 0.000 1.216 365 A CA 0.232 52.279 52.037 0.017 0.000 0.864 365 A CB -0.474 18.621 19.000 0.159 0.000 0.902 365 A HN 0.936 nan 8.150 nan 0.000 0.499 366 G N -0.207 108.539 108.800 -0.090 0.000 2.355 366 G HA2 0.325 4.285 3.960 0.001 0.000 0.276 366 G HA3 0.325 4.285 3.960 0.001 0.000 0.276 366 G C 0.657 175.566 174.900 0.015 0.000 1.198 366 G CA -0.109 44.969 45.100 -0.035 0.000 0.876 366 G HN 0.375 nan 8.290 nan 0.000 0.478 367 K N 1.632 122.080 120.400 0.080 0.000 2.063 367 K HA -0.180 4.140 4.320 0.001 0.000 0.208 367 K C 2.034 178.636 176.600 0.004 0.000 1.048 367 K CA 1.971 58.273 56.287 0.024 0.000 0.928 367 K CB 0.013 32.517 32.500 0.006 0.000 0.713 367 K HN 0.689 nan 8.250 nan 0.000 0.442 368 D N 0.407 120.821 120.400 0.023 0.000 2.221 368 D HA -0.208 4.433 4.640 0.001 0.000 0.204 368 D C 1.194 177.461 176.300 -0.055 0.000 0.982 368 D CA 1.315 55.310 54.000 -0.009 0.000 0.857 368 D CB -0.036 40.775 40.800 0.019 0.000 0.934 368 D HN 0.343 nan 8.370 nan 0.000 0.475 369 K N -0.058 120.284 120.400 -0.097 0.000 2.202 369 K HA 0.194 4.514 4.320 0.001 0.000 0.201 369 K C 2.505 179.041 176.600 -0.108 0.000 1.051 369 K CA 0.041 56.233 56.287 -0.159 0.000 0.977 369 K CB 0.335 32.636 32.500 -0.332 0.000 0.792 369 K HN 0.101 nan 8.250 nan 0.000 0.469 370 I N 2.071 122.616 120.570 -0.043 0.000 2.264 370 I HA -0.273 3.898 4.170 0.001 0.000 0.248 370 I C 1.266 177.405 176.117 0.036 0.000 1.111 370 I CA 1.251 62.602 61.300 0.086 0.000 1.382 370 I CB -0.226 37.815 38.000 0.068 0.000 1.060 370 I HN 0.138 nan 8.210 nan 0.000 0.418 371 D N 0.871 121.256 120.400 -0.025 0.000 2.371 371 D HA -0.089 4.552 4.640 0.001 0.000 0.221 371 D C 1.749 177.984 176.300 -0.108 0.000 0.986 371 D CA 0.739 54.707 54.000 -0.053 0.000 0.899 371 D CB -0.020 40.756 40.800 -0.039 0.000 0.902 371 D HN 0.373 nan 8.370 nan 0.000 0.530 372 K N -0.040 120.273 120.400 -0.145 0.000 2.459 372 K HA 0.088 4.408 4.320 0.001 0.000 0.193 372 K C 0.180 176.611 176.600 -0.281 0.000 1.030 372 K CA 0.200 56.379 56.287 -0.180 0.000 1.026 372 K CB 1.060 33.457 32.500 -0.172 0.000 0.809 372 K HN -0.081 nan 8.250 nan 0.000 0.504 373 V N 0.468 120.148 119.914 -0.391 0.000 2.789 373 V HA 0.380 4.501 4.120 0.001 0.000 0.311 373 V C -0.724 175.034 176.094 -0.560 0.000 1.073 373 V CA -1.242 60.677 62.300 -0.634 0.000 0.921 373 V CB 1.771 32.834 31.823 -1.266 0.000 1.009 373 V HN 0.003 nan 8.190 nan 0.000 0.426 374 A N 2.633 125.206 122.820 -0.411 0.000 3.015 374 A HA 0.434 4.755 4.320 0.001 0.000 0.293 374 A C 0.339 177.808 177.584 -0.191 0.000 1.572 374 A CA -0.151 51.754 52.037 -0.221 0.000 1.274 374 A CB -0.610 18.322 19.000 -0.114 0.000 1.156 374 A HN 0.823 nan 8.150 nan 0.000 0.562 375 Y N 1.404 121.673 120.300 -0.052 0.000 2.333 375 Y HA -0.236 4.315 4.550 0.001 0.000 0.290 375 Y C 2.386 178.286 175.900 -0.001 0.000 1.144 375 Y CA 1.667 59.754 58.100 -0.022 0.000 1.228 375 Y CB -0.254 38.176 38.460 -0.049 0.000 0.985 375 Y HN 0.791 nan 8.280 nan 0.000 0.542 376 N N -0.211 118.561 118.700 0.119 0.000 2.364 376 N HA -0.120 4.621 4.740 0.001 0.000 0.183 376 N C 1.480 177.021 175.510 0.053 0.000 1.022 376 N CA 1.560 54.653 53.050 0.071 0.000 0.883 376 N CB -0.712 37.799 38.487 0.041 0.000 0.965 376 N HN 0.298 nan 8.380 nan 0.000 0.438 377 V N 0.967 120.909 119.914 0.046 0.000 2.521 377 V HA 0.146 4.266 4.120 0.001 0.000 0.239 377 V C 2.735 178.864 176.094 0.059 0.000 1.053 377 V CA 1.111 63.433 62.300 0.037 0.000 1.073 377 V CB -0.806 31.027 31.823 0.016 0.000 0.746 377 V HN 0.384 nan 8.190 nan 0.000 0.476 378 A N 0.976 123.852 122.820 0.092 0.000 1.978 378 A HA -0.302 4.018 4.320 0.001 0.000 0.220 378 A C 2.198 179.860 177.584 0.129 0.000 1.170 378 A CA 2.060 54.181 52.037 0.139 0.000 0.636 378 A CB -0.630 18.536 19.000 0.277 0.000 0.810 378 A HN 0.776 nan 8.150 nan 0.000 0.448 379 Q N -0.257 119.619 119.800 0.127 0.000 2.297 379 Q HA -0.203 4.138 4.340 0.001 0.000 0.208 379 Q C 1.069 177.091 176.000 0.036 0.000 0.981 379 Q CA 1.542 57.392 55.803 0.078 0.000 0.876 379 Q CB -0.545 28.230 28.738 0.061 0.000 0.921 379 Q HN 0.600 nan 8.270 nan 0.000 0.446 380 N N 0.929 119.651 118.700 0.037 0.000 2.453 380 N HA -0.071 4.670 4.740 0.001 0.000 0.183 380 N C 0.920 176.439 175.510 0.015 0.000 1.041 380 N CA 1.447 54.509 53.050 0.020 0.000 0.900 380 N CB 0.167 38.666 38.487 0.021 0.000 0.961 380 N HN 0.496 nan 8.380 nan 0.000 0.443 381 S N -1.092 114.621 115.700 0.021 0.000 2.559 381 S HA 0.330 4.800 4.470 0.001 0.000 0.226 381 S C 0.624 175.232 174.600 0.012 0.000 1.000 381 S CA -0.365 57.845 58.200 0.016 0.000 0.948 381 S CB 0.467 63.678 63.200 0.018 0.000 0.870 381 S HN 0.030 nan 8.310 nan 0.000 0.497 382 M N 1.733 121.336 119.600 0.005 0.000 2.537 382 M HA 0.459 4.940 4.480 0.001 0.000 0.324 382 M C 0.056 176.301 176.300 -0.091 0.000 1.187 382 M CA -0.552 54.738 55.300 -0.017 0.000 0.993 382 M CB 1.409 34.016 32.600 0.012 0.000 1.666 382 M HN -0.071 nan 8.290 nan 0.000 0.461 383 D N -0.303 120.002 120.400 -0.159 0.000 2.259 383 D HA 0.084 4.725 4.640 0.001 0.000 0.216 383 D C 0.053 175.919 176.300 -0.724 0.000 0.961 383 D CA 1.156 54.915 54.000 -0.401 0.000 0.878 383 D CB 0.581 41.163 40.800 -0.363 0.000 1.009 383 D HN 0.497 nan 8.370 nan 0.000 0.490 384 H N -0.697 118.254 119.070 -0.199 0.000 2.961 384 H HA 0.461 5.018 4.556 0.001 0.000 0.371 384 H C -0.593 174.430 175.328 -0.510 0.000 1.190 384 H CA -0.522 55.272 56.048 -0.423 0.000 1.138 384 H CB 2.260 31.579 29.762 -0.737 0.000 1.816 384 H HN -0.154 nan 8.280 nan 0.000 0.551 385 I N 2.545 122.886 120.570 -0.382 0.000 2.411 385 I HA 0.129 4.300 4.170 0.001 0.000 0.284 385 I C -0.750 175.129 176.117 -0.396 0.000 1.012 385 I CA -0.553 60.553 61.300 -0.324 0.000 1.119 385 I CB 0.821 38.694 38.000 -0.212 0.000 1.261 385 I HN 0.256 nan 8.210 nan 0.000 0.448 386 F N 6.809 126.666 119.950 -0.155 0.000 2.462 386 F HA 0.212 4.739 4.527 0.001 0.000 0.354 386 F C 0.236 175.948 175.800 -0.147 0.000 1.192 386 F CA -0.639 57.105 58.000 -0.427 0.000 1.173 386 F CB 0.417 38.900 39.000 -0.862 0.000 1.402 386 F HN 0.302 nan 8.300 nan 0.000 0.595 387 L N 5.176 126.541 121.223 0.237 0.000 2.485 387 L HA 0.191 4.531 4.340 0.001 0.000 0.279 387 L C 0.281 177.342 176.870 0.319 0.000 1.124 387 L CA 0.263 55.225 54.840 0.204 0.000 0.888 387 L CB 0.064 42.209 42.059 0.144 0.000 1.217 387 L HN 0.491 nan 8.230 nan 0.000 0.464 388 M N 4.694 124.352 119.600 0.096 0.000 3.442 388 M HA 0.064 4.545 4.480 0.001 0.000 0.232 388 M C 0.708 176.613 176.300 -0.659 0.000 1.508 388 M CA 0.087 55.164 55.300 -0.371 0.000 1.647 388 M CB -0.570 31.758 32.600 -0.452 0.000 1.126 388 M HN 0.748 nan 8.290 nan 0.000 0.557 389 S N 1.749 117.209 115.700 -0.400 0.000 4.085 389 S HA 0.255 4.725 4.470 0.001 0.000 0.189 389 S C -0.557 173.647 174.600 -0.660 0.000 1.392 389 S CA -0.502 57.515 58.200 -0.304 0.000 0.972 389 S CB -1.064 62.176 63.200 0.067 0.000 1.482 389 S HN 0.580 nan 8.310 nan 0.000 0.446 390 Y N -3.074 116.744 120.300 -0.803 0.000 2.764 390 Y HA 0.602 5.152 4.550 0.001 0.000 0.331 390 Y C -0.398 175.133 175.900 -0.616 0.000 1.280 390 Y CA -1.772 55.888 58.100 -0.733 0.000 1.065 390 Y CB -0.223 38.052 38.460 -0.309 0.000 1.319 390 Y HN 0.141 nan 8.280 nan 0.000 0.453 391 D N -0.294 120.137 120.400 0.052 0.000 2.945 391 D HA -0.190 4.450 4.640 0.001 0.000 0.225 391 D C 0.360 176.768 176.300 0.181 0.000 1.158 391 D CA 1.117 55.230 54.000 0.189 0.000 0.805 391 D CB -1.292 39.621 40.800 0.189 0.000 1.098 391 D HN 0.513 nan 8.370 nan 0.000 0.426 392 F N -0.681 119.394 119.950 0.209 0.000 2.234 392 F HA 0.035 4.562 4.527 0.001 0.000 0.299 392 F C 1.059 176.871 175.800 0.020 0.000 1.087 392 F CA 0.877 58.914 58.000 0.063 0.000 1.340 392 F CB -0.168 38.962 39.000 0.218 0.000 1.031 392 F HN 0.070 nan 8.300 nan 0.000 0.500 393 Y N -1.757 118.858 120.300 0.525 0.000 2.644 393 Y HA 0.658 5.208 4.550 0.001 0.000 0.338 393 Y C 0.451 176.343 175.900 -0.013 0.000 1.119 393 Y CA -1.105 57.229 58.100 0.389 0.000 1.060 393 Y CB 1.801 40.529 38.460 0.448 0.000 1.294 393 Y HN -0.112 nan 8.280 nan 0.000 0.472 394 G N -0.639 107.961 108.800 -0.333 0.000 2.313 394 G HA2 0.415 4.375 3.960 0.001 0.000 0.296 394 G HA3 0.415 4.375 3.960 0.001 0.000 0.296 394 G C -0.305 174.062 174.900 -0.889 0.000 1.356 394 G CA -0.237 44.323 45.100 -0.900 0.000 0.833 394 G HN 0.907 nan 8.290 nan 0.000 0.552 395 A N -0.618 121.721 122.820 -0.801 0.000 2.186 395 A HA 0.185 4.506 4.320 0.001 0.000 0.219 395 A C 1.922 179.470 177.584 -0.061 0.000 1.159 395 A CA 2.276 54.114 52.037 -0.330 0.000 0.680 395 A CB -0.981 17.873 19.000 -0.242 0.000 0.787 395 A HN 1.421 nan 8.150 nan 0.000 0.467 396 F N -0.955 119.067 119.950 0.119 0.000 2.546 396 F HA 0.190 4.718 4.527 0.001 0.000 0.298 396 F C 0.388 176.297 175.800 0.182 0.000 1.120 396 F CA -0.008 58.066 58.000 0.123 0.000 1.456 396 F CB -0.256 38.787 39.000 0.071 0.000 1.088 396 F HN 0.157 nan 8.300 nan 0.000 0.572 397 D N 0.758 121.269 120.400 0.184 0.000 2.476 397 D HA 0.244 4.885 4.640 0.001 0.000 0.251 397 D C 0.251 176.712 176.300 0.268 0.000 1.291 397 D CA -0.316 53.847 54.000 0.271 0.000 0.939 397 D CB 1.076 42.076 40.800 0.333 0.000 1.221 397 D HN 0.186 nan 8.370 nan 0.000 0.567 398 L N 2.632 123.979 121.223 0.206 0.000 2.591 398 L HA 0.154 4.494 4.340 0.001 0.000 0.228 398 L C 1.951 178.826 176.870 0.008 0.000 1.133 398 L CA 0.360 55.285 54.840 0.142 0.000 0.880 398 L CB 0.209 42.354 42.059 0.143 0.000 1.033 398 L HN 0.154 nan 8.230 nan 0.000 0.450 399 K N -0.273 120.150 120.400 0.040 0.000 2.287 399 K HA 0.143 4.464 4.320 0.001 0.000 0.199 399 K C 0.217 176.811 176.600 -0.010 0.000 1.061 399 K CA 0.231 56.521 56.287 0.004 0.000 0.976 399 K CB 0.470 32.994 32.500 0.040 0.000 0.898 399 K HN 0.193 nan 8.250 nan 0.000 0.492 400 N N 2.338 121.077 118.700 0.065 0.000 2.707 400 N HA 0.217 4.957 4.740 0.001 0.000 0.235 400 N C -0.638 174.974 175.510 0.171 0.000 1.028 400 N CA -0.048 53.074 53.050 0.120 0.000 0.906 400 N CB 1.095 39.710 38.487 0.213 0.000 1.131 400 N HN 0.031 nan 8.380 nan 0.000 0.509 401 L N 0.414 121.567 121.223 -0.118 0.000 2.421 401 L HA 0.783 5.124 4.340 0.001 0.000 0.263 401 L C 1.163 177.760 176.870 -0.454 0.000 1.122 401 L CA -0.577 54.050 54.840 -0.355 0.000 0.804 401 L CB 1.014 42.584 42.059 -0.814 0.000 1.150 401 L HN 0.430 nan 8.230 nan 0.000 0.457 402 G N -1.216 107.239 108.800 -0.574 0.000 2.322 402 G HA2 0.183 4.143 3.960 0.001 0.000 0.295 402 G HA3 0.183 4.143 3.960 0.001 0.000 0.295 402 G C -1.522 172.908 174.900 -0.783 0.000 1.369 402 G CA -0.831 43.511 45.100 -1.264 0.000 0.821 402 G HN 0.480 nan 8.290 nan 0.000 0.536 403 H N 0.953 119.610 119.070 -0.687 0.000 2.899 403 H HA 0.115 4.671 4.556 0.001 0.000 0.303 403 H C 1.566 177.054 175.328 0.268 0.000 1.042 403 H CA 0.867 56.789 56.048 -0.209 0.000 1.479 403 H CB 1.753 31.363 29.762 -0.253 0.000 1.493 403 H HN 0.745 nan 8.280 nan 0.000 0.534 404 Q N 1.707 121.766 119.800 0.432 0.000 2.297 404 Q HA -0.058 4.283 4.340 0.001 0.000 0.204 404 Q C 0.943 177.077 176.000 0.223 0.000 0.962 404 Q CA 1.523 57.577 55.803 0.419 0.000 0.879 404 Q CB 0.545 29.432 28.738 0.248 0.000 0.947 404 Q HN 0.470 nan 8.270 nan 0.000 0.462 405 T N -0.771 113.903 114.554 0.199 0.000 3.541 405 T HA 0.545 4.896 4.350 0.001 0.000 0.309 405 T C -0.271 174.523 174.700 0.156 0.000 0.973 405 T CA 0.051 62.180 62.100 0.049 0.000 0.993 405 T CB -0.029 68.801 68.868 -0.062 0.000 1.206 405 T HN 0.458 nan 8.240 nan 0.000 0.489 406 A N 0.859 123.813 122.820 0.223 0.000 2.448 406 A HA 0.543 4.864 4.320 0.001 0.000 0.239 406 A C 1.354 178.963 177.584 0.041 0.000 1.080 406 A CA -0.213 51.831 52.037 0.013 0.000 0.779 406 A CB 0.087 19.015 19.000 -0.120 0.000 1.026 406 A HN 0.487 nan 8.150 nan 0.000 0.499 407 L N 0.847 122.013 121.223 -0.095 0.000 2.102 407 L HA 0.120 4.460 4.340 0.001 0.000 0.202 407 L C 0.601 177.355 176.870 -0.195 0.000 1.076 407 L CA 1.438 56.182 54.840 -0.160 0.000 0.761 407 L CB -0.392 41.538 42.059 -0.214 0.000 0.921 407 L HN 0.763 nan 8.230 nan 0.000 0.444 408 N N -0.912 117.673 118.700 -0.191 0.000 2.545 408 N HA 0.511 5.251 4.740 0.001 0.000 0.289 408 N C -0.737 174.646 175.510 -0.212 0.000 1.279 408 N CA -0.054 52.880 53.050 -0.193 0.000 0.824 408 N CB 1.124 39.505 38.487 -0.175 0.000 1.395 408 N HN 0.137 nan 8.380 nan 0.000 0.526 409 A N 1.010 123.696 122.820 -0.223 0.000 2.332 409 A HA 0.459 4.779 4.320 0.001 0.000 0.258 409 A C -2.124 175.232 177.584 -0.380 0.000 1.087 409 A CA -0.884 50.983 52.037 -0.283 0.000 0.802 409 A CB -0.331 18.514 19.000 -0.257 0.000 1.042 409 A HN 0.441 nan 8.150 nan 0.000 0.489 410 P HA 0.273 nan 4.420 nan 0.000 0.279 410 P C 0.488 177.342 177.300 -0.743 0.000 1.252 410 P CA 0.227 62.770 63.100 -0.929 0.000 0.811 410 P CB 1.368 31.812 31.700 -2.094 0.000 1.035 411 A N 1.619 124.156 122.820 -0.470 0.000 2.019 411 A HA -0.147 4.174 4.320 0.001 0.000 0.219 411 A C 1.622 179.149 177.584 -0.094 0.000 1.164 411 A CA 1.269 53.198 52.037 -0.179 0.000 0.644 411 A CB -1.522 17.477 19.000 -0.001 0.000 0.805 411 A HN 0.815 nan 8.150 nan 0.000 0.449 412 W N -1.275 119.993 121.300 -0.054 0.000 3.256 412 W HA 0.426 5.086 4.660 0.001 0.000 0.269 412 W C 0.426 176.902 176.519 -0.071 0.000 1.310 412 W CA 0.437 57.748 57.345 -0.058 0.000 1.673 412 W CB 0.133 29.555 29.460 -0.064 0.000 1.115 412 W HN 0.129 nan 8.180 nan 0.000 0.686 413 K N 1.579 121.763 120.400 -0.360 0.000 3.009 413 K HA 0.072 4.392 4.320 0.001 0.000 0.228 413 K C -2.109 174.320 176.600 -0.284 0.000 1.307 413 K CA -0.667 55.474 56.287 -0.243 0.000 0.882 413 K CB 0.668 33.047 32.500 -0.201 0.000 1.275 413 K HN -0.299 nan 8.250 nan 0.000 0.551 414 P HA -0.168 nan 4.420 nan 0.000 0.226 414 P C 0.080 177.286 177.300 -0.156 0.000 1.146 414 P CA 1.122 64.112 63.100 -0.183 0.000 0.773 414 P CB 0.163 31.788 31.700 -0.126 0.000 0.772 415 D N -1.568 118.749 120.400 -0.139 0.000 2.358 415 D HA 0.008 4.649 4.640 0.001 0.000 0.224 415 D C -0.103 176.112 176.300 -0.142 0.000 1.123 415 D CA -0.126 53.801 54.000 -0.123 0.000 0.833 415 D CB -0.877 39.867 40.800 -0.094 0.000 0.946 415 D HN -0.053 nan 8.370 nan 0.000 0.505 416 T N 1.054 115.508 114.554 -0.165 0.000 2.866 416 T HA 0.207 4.557 4.350 0.001 0.000 0.293 416 T C 1.436 176.017 174.700 -0.198 0.000 1.005 416 T CA 0.361 62.370 62.100 -0.153 0.000 1.162 416 T CB 1.479 70.251 68.868 -0.161 0.000 0.968 416 T HN 0.269 nan 8.240 nan 0.000 0.530 417 A N 3.942 126.597 122.820 -0.275 0.000 1.897 417 A HA 0.035 4.356 4.320 0.001 0.000 0.215 417 A C 0.355 177.675 177.584 -0.439 0.000 1.181 417 A CA 0.922 52.704 52.037 -0.426 0.000 0.620 417 A CB -0.265 18.335 19.000 -0.668 0.000 0.821 417 A HN 0.767 nan 8.150 nan 0.000 0.443 418 Y N 1.495 121.624 120.300 -0.285 0.000 2.594 418 Y HA 0.469 5.019 4.550 0.001 0.000 0.342 418 Y C 0.741 176.013 175.900 -1.046 0.000 1.010 418 Y CA -0.469 57.263 58.100 -0.613 0.000 1.270 418 Y CB 0.108 38.261 38.460 -0.512 0.000 1.125 418 Y HN 0.294 nan 8.280 nan 0.000 0.513 419 T N -2.706 111.345 114.554 -0.840 0.000 2.841 419 T HA 0.308 4.659 4.350 0.001 0.000 0.296 419 T C 0.871 175.341 174.700 -0.383 0.000 1.166 419 T CA -0.703 60.996 62.100 -0.669 0.000 1.007 419 T CB 1.588 70.278 68.868 -0.296 0.000 1.253 419 T HN 0.261 nan 8.240 nan 0.000 0.511 420 T N 0.877 115.421 114.554 -0.017 0.000 2.708 420 T HA -0.083 4.268 4.350 0.001 0.000 0.266 420 T C 2.104 176.799 174.700 -0.007 0.000 1.037 420 T CA 1.510 63.679 62.100 0.115 0.000 1.146 420 T CB -0.413 68.487 68.868 0.054 0.000 0.865 420 T HN 0.487 nan 8.240 nan 0.000 0.435 421 V N 2.637 122.476 119.914 -0.125 0.000 2.332 421 V HA -0.205 3.916 4.120 0.001 0.000 0.248 421 V C 2.442 178.527 176.094 -0.014 0.000 1.055 421 V CA 1.554 63.808 62.300 -0.077 0.000 1.038 421 V CB -0.655 31.089 31.823 -0.131 0.000 0.651 421 V HN 0.448 nan 8.190 nan 0.000 0.450 422 N N 0.779 119.439 118.700 -0.066 0.000 2.166 422 N HA -0.106 4.634 4.740 0.001 0.000 0.186 422 N C 1.895 177.397 175.510 -0.013 0.000 1.019 422 N CA 1.589 54.606 53.050 -0.055 0.000 0.856 422 N CB -0.683 37.741 38.487 -0.105 0.000 0.993 422 N HN 0.526 nan 8.380 nan 0.000 0.426 423 G N 0.740 109.545 108.800 0.007 0.000 2.421 423 G HA2 -0.167 3.793 3.960 0.001 0.000 0.216 423 G HA3 -0.167 3.793 3.960 0.001 0.000 0.216 423 G C 1.717 176.642 174.900 0.041 0.000 1.171 423 G CA 0.834 45.958 45.100 0.039 0.000 0.775 423 G HN 0.186 nan 8.290 nan 0.000 0.543 424 V N 1.719 121.680 119.914 0.078 0.000 2.295 424 V HA -0.216 3.904 4.120 0.001 0.000 0.246 424 V C 2.691 178.821 176.094 0.061 0.000 1.049 424 V CA 1.919 64.276 62.300 0.094 0.000 1.024 424 V CB -0.547 31.399 31.823 0.205 0.000 0.648 424 V HN 0.311 nan 8.190 nan 0.000 0.447 425 N N 0.644 119.379 118.700 0.058 0.000 2.104 425 N HA -0.155 4.585 4.740 0.001 0.000 0.190 425 N C 1.915 177.436 175.510 0.018 0.000 1.024 425 N CA 1.742 54.813 53.050 0.035 0.000 0.853 425 N CB -0.580 37.921 38.487 0.023 0.000 1.008 425 N HN 0.508 nan 8.380 nan 0.000 0.424 426 A N 1.349 124.177 122.820 0.013 0.000 1.908 426 A HA -0.101 4.220 4.320 0.001 0.000 0.218 426 A C 2.429 180.025 177.584 0.020 0.000 1.181 426 A CA 1.071 53.115 52.037 0.011 0.000 0.627 426 A CB -0.783 18.223 19.000 0.009 0.000 0.818 426 A HN 0.222 nan 8.150 nan 0.000 0.445 427 L N -0.797 120.433 121.223 0.012 0.000 2.027 427 L HA -0.166 4.174 4.340 0.001 0.000 0.206 427 L C 2.615 179.496 176.870 0.018 0.000 1.074 427 L CA 1.109 55.955 54.840 0.009 0.000 0.745 427 L CB -0.564 41.468 42.059 -0.044 0.000 0.898 427 L HN 0.374 nan 8.230 nan 0.000 0.433 428 L N -0.282 120.948 121.223 0.013 0.000 2.042 428 L HA -0.228 4.112 4.340 0.001 0.000 0.210 428 L C 2.872 179.749 176.870 0.012 0.000 1.076 428 L CA 1.240 56.086 54.840 0.010 0.000 0.749 428 L CB -0.808 41.256 42.059 0.009 0.000 0.893 428 L HN 0.263 nan 8.230 nan 0.000 0.432 429 A N -0.672 122.155 122.820 0.012 0.000 2.024 429 A HA -0.258 4.062 4.320 0.001 0.000 0.220 429 A C 2.215 179.806 177.584 0.011 0.000 1.164 429 A CA 1.625 53.668 52.037 0.009 0.000 0.643 429 A CB -0.420 18.584 19.000 0.005 0.000 0.806 429 A HN 0.522 nan 8.150 nan 0.000 0.451 430 Q N -2.342 117.471 119.800 0.021 0.000 2.245 430 Q HA 0.170 4.510 4.340 0.001 0.000 0.201 430 Q C 1.266 177.280 176.000 0.023 0.000 0.955 430 Q CA 0.769 56.587 55.803 0.026 0.000 0.870 430 Q CB 0.062 28.831 28.738 0.052 0.000 0.945 430 Q HN 0.896 nan 8.270 nan 0.000 0.461 431 G N -0.159 108.655 108.800 0.023 0.000 2.198 431 G HA2 -0.165 3.796 3.960 0.001 0.000 0.156 431 G HA3 -0.165 3.796 3.960 0.001 0.000 0.156 431 G C -0.083 174.830 174.900 0.022 0.000 1.012 431 G CA -0.302 44.809 45.100 0.018 0.000 0.692 431 G HN 0.125 nan 8.290 nan 0.000 0.492 432 V N 1.833 121.764 119.914 0.028 0.000 2.585 432 V HA 0.215 4.335 4.120 0.001 0.000 0.296 432 V C 1.047 177.144 176.094 0.005 0.000 1.035 432 V CA 0.182 62.496 62.300 0.024 0.000 1.084 432 V CB 1.057 32.892 31.823 0.020 0.000 0.953 432 V HN 0.322 nan 8.190 nan 0.000 0.483 433 K N 7.961 128.361 120.400 0.000 0.000 2.412 433 K HA 0.143 4.463 4.320 0.001 0.000 0.281 433 K C -1.274 175.317 176.600 -0.015 0.000 1.027 433 K CA -1.138 55.144 56.287 -0.008 0.000 0.989 433 K CB 0.657 33.152 32.500 -0.009 0.000 0.935 433 K HN 0.462 nan 8.250 nan 0.000 0.475 434 P HA -0.217 nan 4.420 nan 0.000 0.216 434 P C 1.152 178.439 177.300 -0.021 0.000 1.150 434 P CA 1.483 64.567 63.100 -0.026 0.000 0.843 434 P CB 0.097 31.775 31.700 -0.038 0.000 0.787 435 G N 0.082 108.873 108.800 -0.015 0.000 2.535 435 G HA2 -0.171 3.789 3.960 0.001 0.000 0.218 435 G HA3 -0.171 3.789 3.960 0.001 0.000 0.218 435 G C 1.605 176.506 174.900 0.002 0.000 1.122 435 G CA 0.330 45.428 45.100 -0.003 0.000 0.769 435 G HN 0.256 nan 8.290 nan 0.000 0.549 436 K N -0.103 120.286 120.400 -0.019 0.000 2.314 436 K HA 0.190 4.510 4.320 0.001 0.000 0.198 436 K C 0.759 177.332 176.600 -0.045 0.000 1.045 436 K CA -0.046 56.217 56.287 -0.040 0.000 0.988 436 K CB 0.457 32.923 32.500 -0.057 0.000 0.783 436 K HN 0.334 nan 8.250 nan 0.000 0.484 437 I N 2.486 123.039 120.570 -0.028 0.000 2.396 437 I HA 0.046 4.216 4.170 0.001 0.000 0.289 437 I C -0.206 175.929 176.117 0.031 0.000 1.056 437 I CA -0.520 60.769 61.300 -0.018 0.000 1.365 437 I CB 1.034 39.033 38.000 -0.002 0.000 1.407 437 I HN -0.347 nan 8.210 nan 0.000 0.509 438 V N 7.561 127.505 119.914 0.050 0.000 2.357 438 V HA 0.262 4.382 4.120 0.001 0.000 0.284 438 V C 0.255 176.585 176.094 0.392 0.000 1.018 438 V CA -0.752 61.662 62.300 0.190 0.000 0.841 438 V CB 1.667 33.595 31.823 0.175 0.000 0.991 438 V HN 0.397 nan 8.190 nan 0.000 0.437 439 V N 4.055 124.176 119.914 0.344 0.000 2.614 439 V HA 0.521 4.642 4.120 0.001 0.000 0.291 439 V C 1.046 177.287 176.094 0.244 0.000 1.049 439 V CA 0.119 62.607 62.300 0.313 0.000 1.038 439 V CB 1.471 33.438 31.823 0.241 0.000 0.980 439 V HN 0.973 nan 8.190 nan 0.000 0.481 440 G N 2.772 111.600 108.800 0.047 0.000 2.367 440 G HA2 0.618 4.579 3.960 0.001 0.000 0.314 440 G HA3 0.618 4.579 3.960 0.001 0.000 0.314 440 G C -0.132 174.650 174.900 -0.196 0.000 1.130 440 G CA -0.125 44.664 45.100 -0.518 0.000 0.864 440 G HN 0.841 nan 8.290 nan 0.000 0.486 441 T N -1.560 112.862 114.554 -0.220 0.000 2.908 441 T HA 0.754 5.105 4.350 0.001 0.000 0.290 441 T C -0.204 174.443 174.700 -0.090 0.000 1.034 441 T CA -0.554 61.489 62.100 -0.094 0.000 1.010 441 T CB 2.097 70.910 68.868 -0.092 0.000 1.068 441 T HN 1.098 nan 8.240 nan 0.000 0.481 442 A N 2.568 125.297 122.820 -0.152 0.000 2.304 442 A HA 0.693 5.013 4.320 0.001 0.000 0.323 442 A C 0.500 177.958 177.584 -0.210 0.000 1.195 442 A CA -1.018 50.823 52.037 -0.326 0.000 0.826 442 A CB 0.631 19.213 19.000 -0.696 0.000 1.184 442 A HN 0.970 nan 8.150 nan 0.000 0.496 443 M N 2.180 121.761 119.600 -0.032 0.000 2.637 443 M HA 0.236 4.716 4.480 0.001 0.000 0.286 443 M C -0.951 175.497 176.300 0.247 0.000 1.246 443 M CA 0.226 55.569 55.300 0.073 0.000 0.978 443 M CB -0.448 32.187 32.600 0.059 0.000 1.417 443 M HN 0.770 nan 8.290 nan 0.000 0.487 444 Y N -3.385 116.989 120.300 0.124 0.000 2.638 444 Y HA 0.868 5.419 4.550 0.001 0.000 0.335 444 Y C -0.544 175.462 175.900 0.177 0.000 1.155 444 Y CA -1.810 56.377 58.100 0.145 0.000 1.046 444 Y CB 0.449 38.978 38.460 0.114 0.000 1.303 444 Y HN -0.086 nan 8.280 nan 0.000 0.460 445 G N 1.175 110.106 108.800 0.218 0.000 2.473 445 G HA2 0.716 4.677 3.960 0.001 0.000 0.321 445 G HA3 0.716 4.677 3.960 0.001 0.000 0.321 445 G C -1.540 173.475 174.900 0.193 0.000 1.200 445 G CA -1.482 43.726 45.100 0.180 0.000 0.963 445 G HN 0.672 nan 8.290 nan 0.000 0.483 446 R N -0.539 120.018 120.500 0.094 0.000 2.589 446 R HA 0.694 5.035 4.340 0.001 0.000 0.293 446 R C -0.099 176.041 176.300 -0.267 0.000 0.963 446 R CA -0.460 55.596 56.100 -0.073 0.000 0.905 446 R CB 2.290 32.512 30.300 -0.130 0.000 1.144 446 R HN 0.710 nan 8.270 nan 0.000 0.459 447 G N 1.097 109.660 108.800 -0.395 0.000 2.695 447 G HA2 0.558 4.519 3.960 0.001 0.000 0.290 447 G HA3 0.558 4.519 3.960 0.001 0.000 0.290 447 G C -1.629 173.006 174.900 -0.442 0.000 1.410 447 G CA -0.539 44.344 45.100 -0.362 0.000 0.844 447 G HN 0.360 nan 8.290 nan 0.000 0.478 448 W N -0.744 120.579 121.300 0.038 0.000 2.820 448 W HA 0.704 5.364 4.660 0.001 0.000 0.350 448 W C -0.379 176.151 176.519 0.019 0.000 1.116 448 W CA -0.566 56.789 57.345 0.017 0.000 1.146 448 W CB 2.344 31.803 29.460 -0.000 0.000 1.433 448 W HN 0.634 nan 8.180 nan 0.000 0.561 449 T N -1.042 113.663 114.554 0.252 0.000 2.907 449 T HA 0.490 4.841 4.350 0.001 0.000 0.292 449 T C 0.500 175.265 174.700 0.108 0.000 1.043 449 T CA 0.534 62.712 62.100 0.130 0.000 1.003 449 T CB 1.143 70.055 68.868 0.072 0.000 1.084 449 T HN 0.923 nan 8.240 nan 0.000 0.483 450 G N 1.786 110.619 108.800 0.055 0.000 2.225 450 G HA2 -0.203 3.757 3.960 0.001 0.000 0.267 450 G HA3 -0.203 3.757 3.960 0.001 0.000 0.267 450 G C 0.241 175.185 174.900 0.073 0.000 1.024 450 G CA 0.280 45.409 45.100 0.047 0.000 0.784 450 G HN 0.996 nan 8.290 nan 0.000 0.507 451 V N 0.710 120.686 119.914 0.104 0.000 2.694 451 V HA 0.418 4.539 4.120 0.001 0.000 0.306 451 V C 0.628 176.830 176.094 0.180 0.000 1.054 451 V CA 0.946 63.290 62.300 0.074 0.000 1.161 451 V CB 0.796 32.626 31.823 0.011 0.000 0.916 451 V HN 1.067 nan 8.190 nan 0.000 0.490 452 N N 1.237 120.032 118.700 0.158 0.000 3.020 452 N HA 0.590 5.331 4.740 0.001 0.000 0.248 452 N C 0.082 175.645 175.510 0.088 0.000 1.480 452 N CA -0.259 52.904 53.050 0.189 0.000 0.874 452 N CB 1.378 39.903 38.487 0.064 0.000 1.433 452 N HN 1.001 nan 8.380 nan 0.000 0.530 453 G N -0.849 107.894 108.800 -0.096 0.000 2.273 453 G HA2 -0.243 3.718 3.960 0.001 0.000 0.280 453 G HA3 -0.243 3.718 3.960 0.001 0.000 0.280 453 G C -0.652 174.173 174.900 -0.125 0.000 1.047 453 G CA 0.863 45.876 45.100 -0.145 0.000 0.869 453 G HN 0.908 nan 8.290 nan 0.000 0.502 454 Y N -1.977 118.230 120.300 -0.156 0.000 2.403 454 Y HA 0.857 5.407 4.550 0.001 0.000 0.323 454 Y C 0.229 176.021 175.900 -0.179 0.000 1.226 454 Y CA -1.857 56.116 58.100 -0.212 0.000 1.235 454 Y CB 0.987 39.259 38.460 -0.315 0.000 1.248 454 Y HN 0.137 nan 8.280 nan 0.000 0.489 455 Q N 0.695 120.466 119.800 -0.048 0.000 2.301 455 Q HA 0.374 4.715 4.340 0.001 0.000 0.267 455 Q C -0.469 175.495 176.000 -0.060 0.000 1.035 455 Q CA -0.861 54.894 55.803 -0.081 0.000 0.856 455 Q CB 0.964 29.655 28.738 -0.078 0.000 1.337 455 Q HN 0.720 nan 8.270 nan 0.000 0.450 456 N N 2.658 121.328 118.700 -0.049 0.000 2.716 456 N HA -0.256 4.485 4.740 0.001 0.000 0.250 456 N C -0.895 174.599 175.510 -0.025 0.000 1.033 456 N CA 0.851 53.882 53.050 -0.032 0.000 0.727 456 N CB -0.983 37.486 38.487 -0.030 0.000 0.950 456 N HN 0.785 nan 8.380 nan 0.000 0.541 457 N N -1.476 117.240 118.700 0.026 0.000 2.693 457 N HA -0.204 4.537 4.740 0.001 0.000 0.249 457 N C -0.662 174.777 175.510 -0.118 0.000 1.119 457 N CA 0.928 54.003 53.050 0.041 0.000 0.717 457 N CB -0.676 37.832 38.487 0.035 0.000 1.071 457 N HN 0.469 nan 8.380 nan 0.000 0.555 458 I N 0.444 120.881 120.570 -0.223 0.000 2.412 458 I HA 0.176 4.347 4.170 0.001 0.000 0.279 458 I C -1.359 174.332 176.117 -0.710 0.000 1.063 458 I CA -1.953 59.033 61.300 -0.524 0.000 1.193 458 I CB 1.111 38.672 38.000 -0.732 0.000 1.370 458 I HN -0.290 nan 8.210 nan 0.000 0.479 459 P HA -0.185 nan 4.420 nan 0.000 0.217 459 P C 1.497 178.149 177.300 -1.080 0.000 1.151 459 P CA 1.669 63.853 63.100 -1.526 0.000 0.849 459 P CB 0.055 30.563 31.700 -1.986 0.000 0.787 460 F N -0.689 118.720 119.950 -0.902 0.000 2.494 460 F HA -0.111 4.416 4.527 0.001 0.000 0.298 460 F C 2.084 177.528 175.800 -0.592 0.000 1.106 460 F CA 1.570 59.104 58.000 -0.776 0.000 1.452 460 F CB -1.682 36.849 39.000 -0.781 0.000 1.085 460 F HN 0.043 nan 8.300 nan 0.000 0.569 461 T N -3.269 111.040 114.554 -0.409 0.000 3.081 461 T HA 0.304 4.655 4.350 0.001 0.000 0.255 461 T C 1.428 176.033 174.700 -0.159 0.000 1.113 461 T CA 0.436 62.384 62.100 -0.253 0.000 1.082 461 T CB -0.466 68.254 68.868 -0.247 0.000 0.939 461 T HN 0.174 nan 8.240 nan 0.000 0.506 462 G N 1.441 110.141 108.800 -0.167 0.000 2.630 462 G HA2 0.561 4.521 3.960 0.001 0.000 0.223 462 G HA3 0.561 4.521 3.960 0.001 0.000 0.223 462 G C -0.324 174.484 174.900 -0.153 0.000 1.434 462 G CA -0.027 45.019 45.100 -0.089 0.000 1.057 462 G HN 0.637 nan 8.290 nan 0.000 0.570 463 T N -3.670 110.813 114.554 -0.117 0.000 2.896 463 T HA 0.746 5.096 4.350 0.001 0.000 0.297 463 T C -0.369 174.260 174.700 -0.118 0.000 1.108 463 T CA -0.059 61.959 62.100 -0.137 0.000 1.004 463 T CB 1.766 70.593 68.868 -0.067 0.000 1.159 463 T HN 1.220 nan 8.240 nan 0.000 0.499 464 A N 0.541 123.289 122.820 -0.119 0.000 2.309 464 A HA 0.821 5.142 4.320 0.001 0.000 0.317 464 A C 1.123 178.733 177.584 0.043 0.000 1.134 464 A CA -0.220 51.803 52.037 -0.022 0.000 0.866 464 A CB 1.049 20.063 19.000 0.022 0.000 1.329 464 A HN 1.346 nan 8.150 nan 0.000 0.477 465 T N -3.346 111.253 114.554 0.075 0.000 3.010 465 T HA 0.543 4.894 4.350 0.001 0.000 0.257 465 T C 0.663 175.417 174.700 0.090 0.000 1.020 465 T CA 0.792 62.933 62.100 0.069 0.000 0.938 465 T CB -0.047 68.851 68.868 0.049 0.000 1.049 465 T HN 2.084 nan 8.240 nan 0.000 0.522 466 G N 1.623 110.501 108.800 0.130 0.000 2.321 466 G HA2 0.512 4.472 3.960 0.001 0.000 0.296 466 G HA3 0.512 4.472 3.960 0.001 0.000 0.296 466 G C -3.464 171.530 174.900 0.155 0.000 1.287 466 G CA -0.884 44.293 45.100 0.128 0.000 0.846 466 G HN 0.070 nan 8.290 nan 0.000 0.508 467 P HA 0.477 nan 4.420 nan 0.000 0.284 467 P C 0.032 177.353 177.300 0.035 0.000 1.258 467 P CA -0.337 62.783 63.100 0.034 0.000 0.824 467 P CB 2.174 33.879 31.700 0.008 0.000 1.038 468 V N 2.345 122.260 119.914 0.001 0.000 3.003 468 V HA 0.089 4.210 4.120 0.001 0.000 0.305 468 V C 0.745 176.841 176.094 0.004 0.000 1.078 468 V CA -0.442 61.866 62.300 0.013 0.000 1.083 468 V CB 0.265 32.085 31.823 -0.005 0.000 1.039 468 V HN 0.571 nan 8.190 nan 0.000 0.481 469 K N 3.852 124.260 120.400 0.013 0.000 2.416 469 K HA 0.349 4.670 4.320 0.001 0.000 0.283 469 K C 0.204 176.813 176.600 0.014 0.000 1.037 469 K CA 0.388 56.687 56.287 0.020 0.000 0.995 469 K CB 0.267 32.787 32.500 0.034 0.000 0.938 469 K HN 0.914 nan 8.250 nan 0.000 0.475 470 G N 2.042 110.847 108.800 0.009 0.000 2.511 470 G HA2 0.122 4.083 3.960 0.001 0.000 0.316 470 G HA3 0.122 4.083 3.960 0.001 0.000 0.316 470 G C 0.568 175.423 174.900 -0.075 0.000 1.210 470 G CA -0.547 44.551 45.100 -0.003 0.000 0.969 470 G HN 0.679 nan 8.290 nan 0.000 0.492 471 T N -0.594 113.863 114.554 -0.162 0.000 2.770 471 T HA -0.068 4.283 4.350 0.001 0.000 0.263 471 T C 1.472 175.753 174.700 -0.698 0.000 1.039 471 T CA 1.482 63.276 62.100 -0.510 0.000 1.142 471 T CB -0.084 68.391 68.868 -0.654 0.000 0.868 471 T HN 0.656 nan 8.240 nan 0.000 0.435 472 W N 1.391 122.721 121.300 0.050 0.000 2.942 472 W HA 0.315 4.976 4.660 0.001 0.000 0.260 472 W C 0.658 177.206 176.519 0.048 0.000 1.101 472 W CA -0.640 56.737 57.345 0.054 0.000 1.436 472 W CB 0.801 30.302 29.460 0.068 0.000 0.883 472 W HN 0.198 nan 8.180 nan 0.000 0.646 473 E N 0.450 120.782 120.200 0.220 0.000 2.413 473 E HA 0.279 4.629 4.350 0.001 0.000 0.277 473 E C -0.712 175.938 176.600 0.083 0.000 0.958 473 E CA -1.039 55.445 56.400 0.139 0.000 0.779 473 E CB 0.645 30.426 29.700 0.136 0.000 1.278 473 E HN -0.288 nan 8.360 nan 0.000 0.456 474 N N 0.480 119.217 118.700 0.062 0.000 2.356 474 N HA 0.133 4.873 4.740 0.001 0.000 0.252 474 N C 1.046 176.569 175.510 0.021 0.000 1.241 474 N CA 1.762 54.835 53.050 0.039 0.000 0.861 474 N CB 0.613 39.125 38.487 0.041 0.000 1.075 474 N HN 0.942 nan 8.380 nan 0.000 0.461 475 G N 0.445 109.240 108.800 -0.008 0.000 2.168 475 G HA2 -0.234 3.726 3.960 0.001 0.000 0.263 475 G HA3 -0.234 3.726 3.960 0.001 0.000 0.263 475 G C -0.141 174.735 174.900 -0.041 0.000 0.977 475 G CA 0.107 45.169 45.100 -0.064 0.000 0.659 475 G HN 0.516 nan 8.290 nan 0.000 0.533 476 I N 0.175 120.758 120.570 0.022 0.000 2.533 476 I HA 0.610 4.781 4.170 0.001 0.000 0.290 476 I C -0.193 175.981 176.117 0.095 0.000 1.056 476 I CA -1.204 60.147 61.300 0.085 0.000 1.057 476 I CB 1.925 39.976 38.000 0.085 0.000 1.240 476 I HN -0.104 nan 8.210 nan 0.000 0.423 477 V N 4.135 124.132 119.914 0.138 0.000 2.577 477 V HA 0.326 4.447 4.120 0.001 0.000 0.303 477 V C -0.442 175.737 176.094 0.142 0.000 1.042 477 V CA -0.861 61.499 62.300 0.100 0.000 0.872 477 V CB 2.246 34.131 31.823 0.103 0.000 0.998 477 V HN 0.584 nan 8.190 nan 0.000 0.423 478 D N 1.711 122.170 120.400 0.098 0.000 2.472 478 D HA 0.003 4.644 4.640 0.001 0.000 0.237 478 D C 0.674 177.012 176.300 0.065 0.000 1.141 478 D CA 0.217 54.300 54.000 0.139 0.000 0.875 478 D CB 0.712 41.582 40.800 0.117 0.000 1.192 478 D HN 0.656 nan 8.370 nan 0.000 0.450 479 Y N 3.177 123.497 120.300 0.033 0.000 2.207 479 Y HA -0.242 4.308 4.550 0.001 0.000 0.287 479 Y C 2.326 178.182 175.900 -0.072 0.000 1.156 479 Y CA 1.868 59.954 58.100 -0.023 0.000 1.182 479 Y CB 0.039 38.523 38.460 0.040 0.000 0.979 479 Y HN 0.412 nan 8.280 nan 0.000 0.521 480 R N 0.283 120.693 120.500 -0.151 0.000 2.103 480 R HA -0.290 4.050 4.340 0.001 0.000 0.242 480 R C 2.430 178.521 176.300 -0.347 0.000 1.142 480 R CA 2.259 58.224 56.100 -0.224 0.000 0.960 480 R CB -0.456 29.816 30.300 -0.046 0.000 0.858 480 R HN 0.596 nan 8.270 nan 0.000 0.439 481 Q N 0.174 119.780 119.800 -0.325 0.000 2.123 481 Q HA -0.082 4.258 4.340 0.001 0.000 0.199 481 Q C 2.128 177.704 176.000 -0.706 0.000 0.966 481 Q CA 1.307 56.834 55.803 -0.461 0.000 0.845 481 Q CB 0.023 28.529 28.738 -0.386 0.000 0.907 481 Q HN 0.468 nan 8.270 nan 0.000 0.439 482 I N 0.624 120.850 120.570 -0.574 0.000 2.179 482 I HA -0.275 3.896 4.170 0.001 0.000 0.242 482 I C 2.409 178.158 176.117 -0.614 0.000 1.088 482 I CA 1.101 62.063 61.300 -0.563 0.000 1.357 482 I CB -0.449 37.189 38.000 -0.603 0.000 1.051 482 I HN 0.262 nan 8.210 nan 0.000 0.409 483 A N 0.507 122.916 122.820 -0.686 0.000 1.933 483 A HA -0.196 4.124 4.320 0.001 0.000 0.218 483 A C 2.438 179.796 177.584 -0.376 0.000 1.175 483 A CA 2.195 53.921 52.037 -0.518 0.000 0.628 483 A CB -0.597 18.027 19.000 -0.627 0.000 0.814 483 A HN 0.541 nan 8.150 nan 0.000 0.444 484 S N -2.410 113.040 115.700 -0.417 0.000 2.492 484 S HA 0.047 4.517 4.470 0.001 0.000 0.218 484 S C 1.631 176.000 174.600 -0.386 0.000 1.016 484 S CA 0.531 58.534 58.200 -0.328 0.000 0.916 484 S CB 0.081 63.119 63.200 -0.270 0.000 0.791 484 S HN 0.481 nan 8.310 nan 0.000 0.513 485 Q N -0.044 119.370 119.800 -0.643 0.000 2.431 485 Q HA 0.357 4.698 4.340 0.001 0.000 0.244 485 Q C -0.056 175.508 176.000 -0.727 0.000 0.880 485 Q CA 0.557 55.911 55.803 -0.749 0.000 0.954 485 Q CB -0.028 28.038 28.738 -1.119 0.000 1.105 485 Q HN 0.665 nan 8.270 nan 0.000 0.558 486 F N -0.177 119.423 119.950 -0.584 0.000 2.837 486 F HA 0.349 4.876 4.527 0.001 0.000 0.298 486 F C 0.923 176.442 175.800 -0.468 0.000 1.161 486 F CA -0.059 57.342 58.000 -0.998 0.000 1.353 486 F CB 0.314 38.428 39.000 -1.477 0.000 0.951 486 F HN -0.091 nan 8.300 nan 0.000 0.508 487 M N 0.131 119.661 119.600 -0.117 0.000 2.685 487 M HA 0.276 4.756 4.480 0.001 0.000 0.355 487 M C 0.080 176.419 176.300 0.065 0.000 1.197 487 M CA 0.198 55.504 55.300 0.010 0.000 0.947 487 M CB -0.413 32.147 32.600 -0.067 0.000 1.346 487 M HN 0.207 nan 8.290 nan 0.000 0.516 488 S N -2.243 113.540 115.700 0.138 0.000 2.724 488 S HA 0.870 5.341 4.470 0.001 0.000 0.278 488 S C 0.352 175.108 174.600 0.260 0.000 1.190 488 S CA -0.082 58.210 58.200 0.153 0.000 0.860 488 S CB 1.363 64.607 63.200 0.073 0.000 1.206 488 S HN 0.532 nan 8.310 nan 0.000 0.507 489 G N 1.405 110.309 108.800 0.174 0.000 2.561 489 G HA2 -0.334 3.626 3.960 0.001 0.000 0.289 489 G HA3 -0.334 3.626 3.960 0.001 0.000 0.289 489 G C 0.504 175.479 174.900 0.124 0.000 1.169 489 G CA 0.720 45.915 45.100 0.159 0.000 0.980 489 G HN 1.129 nan 8.290 nan 0.000 0.550 490 E N 0.002 120.235 120.200 0.054 0.000 2.478 490 E HA 0.057 4.407 4.350 0.001 0.000 0.194 490 E C 0.174 176.704 176.600 -0.117 0.000 1.045 490 E CA -0.377 55.971 56.400 -0.087 0.000 0.868 490 E CB 0.073 29.636 29.700 -0.228 0.000 0.885 490 E HN 0.409 nan 8.360 nan 0.000 0.505 491 W N 2.058 123.374 121.300 0.026 0.000 2.381 491 W HA 0.088 4.749 4.660 0.001 0.000 0.321 491 W C 0.532 177.108 176.519 0.095 0.000 1.407 491 W CA -0.170 57.205 57.345 0.051 0.000 1.274 491 W CB 0.323 29.850 29.460 0.111 0.000 1.310 491 W HN 0.029 nan 8.180 nan 0.000 0.551 492 Q N 3.367 123.342 119.800 0.291 0.000 2.259 492 Q HA 0.295 4.636 4.340 0.001 0.000 0.249 492 Q C -1.527 174.660 176.000 0.312 0.000 0.914 492 Q CA -0.630 55.324 55.803 0.252 0.000 0.904 492 Q CB 0.885 29.738 28.738 0.193 0.000 1.213 492 Q HN 0.519 nan 8.270 nan 0.000 0.428 493 Y N 1.795 122.177 120.300 0.137 0.000 2.409 493 Y HA 0.604 5.154 4.550 0.001 0.000 0.343 493 Y C -1.369 174.518 175.900 -0.022 0.000 0.973 493 Y CA -0.393 57.770 58.100 0.105 0.000 1.064 493 Y CB 2.057 40.610 38.460 0.155 0.000 1.207 493 Y HN 0.638 nan 8.280 nan 0.000 0.452 494 T N 5.771 119.784 114.554 -0.902 0.000 2.952 494 T HA 0.219 4.569 4.350 0.001 0.000 0.305 494 T C -2.188 172.080 174.700 -0.720 0.000 1.064 494 T CA -0.567 61.120 62.100 -0.687 0.000 1.008 494 T CB 0.978 69.346 68.868 -0.834 0.000 1.078 494 T HN 0.522 nan 8.240 nan 0.000 0.459 495 Y N 2.703 122.831 120.300 -0.285 0.000 2.356 495 Y HA 0.392 4.943 4.550 0.001 0.000 0.334 495 Y C -0.304 175.607 175.900 0.019 0.000 0.958 495 Y CA -0.994 57.039 58.100 -0.112 0.000 1.196 495 Y CB 0.850 39.352 38.460 0.070 0.000 1.137 495 Y HN 0.543 nan 8.280 nan 0.000 0.485 496 D N 5.055 125.205 120.400 -0.417 0.000 2.352 496 D HA 0.177 4.817 4.640 0.001 0.000 0.245 496 D C 0.601 176.702 176.300 -0.332 0.000 1.224 496 D CA 0.387 54.288 54.000 -0.164 0.000 0.879 496 D CB 1.429 42.215 40.800 -0.024 0.000 1.057 496 D HN 0.803 nan 8.370 nan 0.000 0.491 497 A N 3.199 126.026 122.820 0.012 0.000 2.119 497 A HA -0.055 4.265 4.320 0.001 0.000 0.216 497 A C 1.957 179.556 177.584 0.025 0.000 1.152 497 A CA 0.900 53.023 52.037 0.143 0.000 0.708 497 A CB 0.016 19.144 19.000 0.214 0.000 0.805 497 A HN 0.572 nan 8.150 nan 0.000 0.460 498 T N -0.141 114.390 114.554 -0.039 0.000 2.809 498 T HA 0.124 4.474 4.350 0.001 0.000 0.260 498 T C 2.151 176.762 174.700 -0.148 0.000 1.039 498 T CA 1.314 63.368 62.100 -0.078 0.000 1.141 498 T CB -0.214 68.599 68.868 -0.093 0.000 0.869 498 T HN 0.506 nan 8.240 nan 0.000 0.437 499 A N 0.512 123.193 122.820 -0.231 0.000 2.081 499 A HA 0.150 4.471 4.320 0.001 0.000 0.214 499 A C 0.414 177.813 177.584 -0.308 0.000 1.158 499 A CA 0.249 52.107 52.037 -0.299 0.000 0.724 499 A CB 0.043 18.801 19.000 -0.403 0.000 0.826 499 A HN 0.393 nan 8.150 nan 0.000 0.463 500 E N -1.598 118.409 120.200 -0.322 0.000 2.326 500 E HA -0.147 4.203 4.350 0.001 0.000 0.195 500 E C -0.293 176.038 176.600 -0.447 0.000 1.367 500 E CA 0.858 57.102 56.400 -0.261 0.000 0.666 500 E CB -2.179 27.483 29.700 -0.063 0.000 1.147 500 E HN 1.279 nan 8.360 nan 0.000 0.384 501 A N 1.333 123.645 122.820 -0.848 0.000 2.512 501 A HA 0.680 5.000 4.320 0.001 0.000 0.294 501 A C -2.794 174.368 177.584 -0.705 0.000 1.054 501 A CA -1.062 50.541 52.037 -0.724 0.000 0.756 501 A CB 2.148 20.613 19.000 -0.891 0.000 1.293 501 A HN 0.020 nan 8.150 nan 0.000 0.395 502 P HA 0.723 nan 4.420 nan 0.000 0.283 502 P C -1.543 175.612 177.300 -0.242 0.000 1.271 502 P CA -0.230 62.609 63.100 -0.435 0.000 0.841 502 P CB 1.085 32.577 31.700 -0.348 0.000 1.122 503 Y N -1.596 118.581 120.300 -0.204 0.000 2.521 503 Y HA 0.539 5.089 4.550 0.001 0.000 0.326 503 Y C -1.430 174.637 175.900 0.278 0.000 1.176 503 Y CA -1.536 56.709 58.100 0.241 0.000 1.079 503 Y CB 0.376 39.070 38.460 0.390 0.000 1.341 503 Y HN 0.326 nan 8.280 nan 0.000 0.456 504 V N 0.838 121.111 119.914 0.599 0.000 2.667 504 V HA 0.845 4.966 4.120 0.001 0.000 0.308 504 V C -1.380 175.100 176.094 0.643 0.000 1.048 504 V CA -0.887 61.724 62.300 0.519 0.000 0.928 504 V CB 1.942 34.063 31.823 0.496 0.000 1.004 504 V HN 0.925 nan 8.190 nan 0.000 0.444 505 F N 2.592 122.753 119.950 0.352 0.000 2.581 505 F HA 0.640 5.168 4.527 0.001 0.000 0.311 505 F C -0.478 175.250 175.800 -0.120 0.000 1.113 505 F CA -1.020 57.050 58.000 0.117 0.000 0.935 505 F CB 2.210 41.205 39.000 -0.009 0.000 1.232 505 F HN 0.713 nan 8.300 nan 0.000 0.445 506 K N 8.030 127.729 120.400 -1.167 0.000 2.473 506 K HA 0.416 4.737 4.320 0.001 0.000 0.246 506 K C -2.312 173.505 176.600 -1.304 0.000 1.011 506 K CA -1.928 53.594 56.287 -1.275 0.000 0.984 506 K CB 1.504 32.987 32.500 -1.695 0.000 1.250 506 K HN 0.267 nan 8.250 nan 0.000 0.454 507 P HA -0.301 nan 4.420 nan 0.000 0.217 507 P C 1.197 178.277 177.300 -0.368 0.000 1.162 507 P CA 1.732 64.472 63.100 -0.600 0.000 0.901 507 P CB 0.204 31.795 31.700 -0.182 0.000 0.793 508 S N -1.151 114.349 115.700 -0.333 0.000 2.365 508 S HA -0.213 4.258 4.470 0.001 0.000 0.225 508 S C 1.913 176.385 174.600 -0.214 0.000 1.039 508 S CA 2.418 60.483 58.200 -0.225 0.000 1.033 508 S CB -2.112 60.961 63.200 -0.212 0.000 0.887 508 S HN 0.355 nan 8.310 nan 0.000 0.447 509 T N -3.433 110.939 114.554 -0.303 0.000 3.022 509 T HA 0.519 4.869 4.350 0.001 0.000 0.250 509 T C 1.514 176.092 174.700 -0.203 0.000 1.060 509 T CA 0.629 62.594 62.100 -0.225 0.000 1.013 509 T CB -0.073 68.658 68.868 -0.229 0.000 0.982 509 T HN 1.402 nan 8.240 nan 0.000 0.508 510 G N 1.849 110.455 108.800 -0.323 0.000 2.147 510 G HA2 -0.182 3.779 3.960 0.001 0.000 0.244 510 G HA3 -0.182 3.779 3.960 0.001 0.000 0.244 510 G C -0.519 174.330 174.900 -0.085 0.000 1.005 510 G CA -0.056 44.946 45.100 -0.163 0.000 0.713 510 G HN 0.586 nan 8.290 nan 0.000 0.515 511 D N -0.011 120.219 120.400 -0.283 0.000 2.317 511 D HA 0.454 5.094 4.640 0.001 0.000 0.252 511 D C 0.145 176.534 176.300 0.148 0.000 1.174 511 D CA 0.091 54.054 54.000 -0.060 0.000 0.866 511 D CB 1.873 42.605 40.800 -0.113 0.000 1.127 511 D HN 0.251 nan 8.370 nan 0.000 0.467 512 L N 3.967 125.402 121.223 0.353 0.000 2.356 512 L HA 0.509 4.849 4.340 0.001 0.000 0.277 512 L C -1.255 175.867 176.870 0.421 0.000 0.996 512 L CA -0.495 54.619 54.840 0.457 0.000 0.822 512 L CB 1.382 43.612 42.059 0.286 0.000 1.256 512 L HN 0.268 nan 8.230 nan 0.000 0.413 513 I N 3.736 124.556 120.570 0.417 0.000 2.466 513 I HA 0.363 4.534 4.170 0.001 0.000 0.289 513 I C -0.333 176.129 176.117 0.576 0.000 1.026 513 I CA -0.511 60.998 61.300 0.348 0.000 1.078 513 I CB 2.166 40.263 38.000 0.162 0.000 1.249 513 I HN 0.588 nan 8.210 nan 0.000 0.429 514 T N 6.515 121.380 114.554 0.519 0.000 2.794 514 T HA 0.766 5.116 4.350 0.001 0.000 0.280 514 T C -0.708 174.302 174.700 0.516 0.000 0.987 514 T CA -0.243 62.205 62.100 0.581 0.000 0.993 514 T CB 0.523 69.717 68.868 0.544 0.000 0.939 514 T HN 0.446 nan 8.240 nan 0.000 0.449 515 F N 1.380 121.447 119.950 0.194 0.000 3.016 515 F HA 0.796 5.324 4.527 0.001 0.000 0.324 515 F C -1.440 174.402 175.800 0.070 0.000 1.196 515 F CA -1.491 56.560 58.000 0.086 0.000 0.929 515 F CB 0.393 39.483 39.000 0.149 0.000 1.440 515 F HN 0.287 nan 8.300 nan 0.000 0.505 516 D N 0.674 121.112 120.400 0.062 0.000 2.256 516 D HA 0.427 5.067 4.640 0.001 0.000 0.246 516 D C -1.333 174.983 176.300 0.026 0.000 1.042 516 D CA 0.092 54.051 54.000 -0.068 0.000 0.841 516 D CB 1.816 42.567 40.800 -0.082 0.000 1.223 516 D HN 0.699 nan 8.370 nan 0.000 0.470 517 D N -0.279 120.120 120.400 -0.003 0.000 2.687 517 D HA 0.435 5.076 4.640 0.001 0.000 0.264 517 D C 0.759 177.063 176.300 0.008 0.000 1.091 517 D CA -0.694 53.357 54.000 0.085 0.000 1.123 517 D CB 0.441 41.450 40.800 0.348 0.000 1.407 517 D HN 0.214 nan 8.370 nan 0.000 0.591 518 A N -0.009 122.824 122.820 0.022 0.000 1.917 518 A HA -0.247 4.074 4.320 0.001 0.000 0.219 518 A C 2.178 179.762 177.584 -0.000 0.000 1.182 518 A CA 2.355 54.391 52.037 -0.002 0.000 0.633 518 A CB -0.807 18.209 19.000 0.026 0.000 0.819 518 A HN 0.619 nan 8.150 nan 0.000 0.448 519 R N 0.014 120.515 120.500 0.002 0.000 2.075 519 R HA -0.119 4.221 4.340 0.001 0.000 0.232 519 R C 2.513 178.843 176.300 0.049 0.000 1.126 519 R CA 1.893 57.952 56.100 -0.069 0.000 0.963 519 R CB -0.294 29.791 30.300 -0.358 0.000 0.858 519 R HN 0.672 nan 8.270 nan 0.000 0.435 520 S N -0.425 115.387 115.700 0.186 0.000 2.383 520 S HA -0.075 4.395 4.470 0.001 0.000 0.227 520 S C 2.015 176.648 174.600 0.055 0.000 1.026 520 S CA 1.200 59.502 58.200 0.170 0.000 0.981 520 S CB -0.358 62.894 63.200 0.085 0.000 0.818 520 S HN 0.149 nan 8.310 nan 0.000 0.472 521 V N 2.192 122.117 119.914 0.019 0.000 2.427 521 V HA -0.168 3.952 4.120 0.001 0.000 0.248 521 V C 2.934 179.035 176.094 0.012 0.000 1.051 521 V CA 2.044 64.341 62.300 -0.004 0.000 1.048 521 V CB -0.945 30.853 31.823 -0.040 0.000 0.666 521 V HN 0.608 nan 8.190 nan 0.000 0.456 522 Q N 0.093 119.900 119.800 0.012 0.000 2.096 522 Q HA -0.236 4.105 4.340 0.001 0.000 0.204 522 Q C 2.256 178.279 176.000 0.039 0.000 0.982 522 Q CA 2.079 57.891 55.803 0.015 0.000 0.850 522 Q CB -0.266 28.473 28.738 0.002 0.000 0.901 522 Q HN 0.629 nan 8.270 nan 0.000 0.422 523 A N 1.029 123.879 122.820 0.051 0.000 1.902 523 A HA -0.210 4.111 4.320 0.001 0.000 0.217 523 A C 1.962 179.599 177.584 0.088 0.000 1.181 523 A CA 1.703 53.780 52.037 0.066 0.000 0.623 523 A CB -0.376 18.665 19.000 0.069 0.000 0.818 523 A HN 0.353 nan 8.150 nan 0.000 0.443 524 K N -0.851 119.592 120.400 0.072 0.000 2.057 524 K HA -0.093 4.228 4.320 0.001 0.000 0.207 524 K C 2.146 178.847 176.600 0.169 0.000 1.049 524 K CA 1.108 57.465 56.287 0.116 0.000 0.931 524 K CB -0.453 32.089 32.500 0.071 0.000 0.714 524 K HN 0.468 nan 8.250 nan 0.000 0.440 525 G N 1.808 110.667 108.800 0.099 0.000 2.418 525 G HA2 -0.286 3.674 3.960 0.001 0.000 0.217 525 G HA3 -0.286 3.674 3.960 0.001 0.000 0.217 525 G C 1.439 176.389 174.900 0.083 0.000 1.158 525 G CA 0.724 45.872 45.100 0.079 0.000 0.771 525 G HN 0.232 nan 8.290 nan 0.000 0.545 526 K N -0.646 119.808 120.400 0.091 0.000 2.097 526 K HA -0.138 4.183 4.320 0.001 0.000 0.205 526 K C 2.160 178.827 176.600 0.112 0.000 1.050 526 K CA 1.064 57.400 56.287 0.083 0.000 0.938 526 K CB -0.335 32.211 32.500 0.078 0.000 0.718 526 K HN 0.354 nan 8.250 nan 0.000 0.442 527 Y N 1.158 121.470 120.300 0.020 0.000 2.181 527 Y HA -0.213 4.337 4.550 0.001 0.000 0.288 527 Y C 1.818 177.733 175.900 0.024 0.000 1.146 527 Y CA 1.353 59.466 58.100 0.021 0.000 1.164 527 Y CB -0.360 38.114 38.460 0.023 0.000 0.982 527 Y HN -0.169 nan 8.280 nan 0.000 0.515 528 V N 0.679 120.593 119.914 -0.000 0.000 2.295 528 V HA -0.335 3.785 4.120 0.001 0.000 0.246 528 V C 2.504 178.540 176.094 -0.097 0.000 1.049 528 V CA 2.138 64.385 62.300 -0.089 0.000 1.024 528 V CB -0.771 31.075 31.823 0.039 0.000 0.648 528 V HN 0.465 nan 8.190 nan 0.000 0.447 529 L N -0.329 120.872 121.223 -0.036 0.000 2.056 529 L HA -0.175 4.166 4.340 0.001 0.000 0.207 529 L C 2.474 179.313 176.870 -0.051 0.000 1.078 529 L CA 1.848 56.672 54.840 -0.027 0.000 0.749 529 L CB -0.766 41.294 42.059 0.002 0.000 0.901 529 L HN 0.404 nan 8.230 nan 0.000 0.433 530 D N 0.439 120.801 120.400 -0.064 0.000 2.144 530 D HA -0.160 4.480 4.640 0.001 0.000 0.199 530 D C 1.660 177.892 176.300 -0.114 0.000 0.984 530 D CA 1.091 55.052 54.000 -0.065 0.000 0.834 530 D CB 0.308 41.089 40.800 -0.032 0.000 0.955 530 D HN 0.146 nan 8.370 nan 0.000 0.465 531 K N 0.543 120.810 120.400 -0.222 0.000 2.404 531 K HA 0.082 4.403 4.320 0.001 0.000 0.194 531 K C 0.269 176.777 176.600 -0.153 0.000 1.023 531 K CA -0.009 56.139 56.287 -0.232 0.000 1.094 531 K CB 0.333 32.568 32.500 -0.441 0.000 0.841 531 K HN 0.272 nan 8.250 nan 0.000 0.523 532 Q N 0.855 120.586 119.800 -0.114 0.000 2.463 532 Q HA -0.183 4.158 4.340 0.001 0.000 0.299 532 Q C -0.446 175.518 176.000 -0.060 0.000 1.353 532 Q CA 0.303 56.066 55.803 -0.065 0.000 0.828 532 Q CB -1.932 26.780 28.738 -0.044 0.000 1.157 532 Q HN 0.301 nan 8.270 nan 0.000 0.436 533 L N -1.894 119.283 121.223 -0.077 0.000 2.567 533 L HA 0.344 4.684 4.340 0.001 0.000 0.238 533 L C 1.842 178.713 176.870 0.001 0.000 1.168 533 L CA 0.338 55.151 54.840 -0.044 0.000 0.817 533 L CB 0.077 42.102 42.059 -0.055 0.000 1.409 533 L HN 0.297 nan 8.230 nan 0.000 0.502 534 G N -1.410 107.406 108.800 0.026 0.000 2.430 534 G HA2 0.379 4.340 3.960 0.001 0.000 0.216 534 G HA3 0.379 4.340 3.960 0.001 0.000 0.216 534 G C 0.528 175.460 174.900 0.053 0.000 1.146 534 G CA 0.770 45.900 45.100 0.050 0.000 0.793 534 G HN 0.948 nan 8.290 nan 0.000 0.537 535 G N -1.289 107.554 108.800 0.071 0.000 2.347 535 G HA2 0.293 4.253 3.960 0.001 0.000 0.224 535 G HA3 0.293 4.253 3.960 0.001 0.000 0.224 535 G C -1.676 173.314 174.900 0.150 0.000 1.318 535 G CA -0.701 44.452 45.100 0.089 0.000 1.016 535 G HN 0.453 nan 8.290 nan 0.000 0.469 536 L N 0.142 121.467 121.223 0.170 0.000 2.393 536 L HA 0.877 5.217 4.340 0.001 0.000 0.260 536 L C -0.613 176.448 176.870 0.319 0.000 1.002 536 L CA -0.976 53.995 54.840 0.219 0.000 0.818 536 L CB 2.271 44.395 42.059 0.109 0.000 1.369 536 L HN 0.879 nan 8.230 nan 0.000 0.412 537 F N -0.158 119.896 119.950 0.172 0.000 2.643 537 F HA 0.909 5.436 4.527 0.001 0.000 0.314 537 F C -0.694 175.234 175.800 0.213 0.000 1.096 537 F CA -0.786 57.314 58.000 0.166 0.000 0.953 537 F CB 1.811 40.910 39.000 0.165 0.000 1.345 537 F HN 0.437 nan 8.300 nan 0.000 0.468 538 S N 0.868 116.639 115.700 0.119 0.000 2.618 538 S HA 0.633 5.103 4.470 0.001 0.000 0.277 538 S C -2.211 172.563 174.600 0.290 0.000 1.138 538 S CA -0.611 57.609 58.200 0.034 0.000 0.844 538 S CB 2.237 65.446 63.200 0.015 0.000 1.127 538 S HN 1.202 nan 8.310 nan 0.000 0.474 539 W N 2.608 123.920 121.300 0.019 0.000 2.830 539 W HA 0.479 5.139 4.660 0.001 0.000 0.335 539 W C -1.561 174.987 176.519 0.048 0.000 1.043 539 W CA -0.467 56.892 57.345 0.024 0.000 1.239 539 W CB 1.696 31.091 29.460 -0.109 0.000 1.378 539 W HN 1.075 nan 8.180 nan 0.000 0.456 540 E N 4.238 124.235 120.200 -0.338 0.000 2.266 540 E HA 0.268 4.619 4.350 0.001 0.000 0.268 540 E C 0.387 176.720 176.600 -0.445 0.000 0.879 540 E CA -0.876 55.049 56.400 -0.791 0.000 0.762 540 E CB 2.670 31.497 29.700 -1.455 0.000 1.199 540 E HN 0.215 nan 8.360 nan 0.000 0.422 541 I N 2.404 122.746 120.570 -0.379 0.000 2.229 541 I HA -0.340 3.831 4.170 0.001 0.000 0.250 541 I C 1.808 177.578 176.117 -0.578 0.000 1.096 541 I CA 2.265 63.383 61.300 -0.302 0.000 1.358 541 I CB -0.414 37.514 38.000 -0.119 0.000 1.047 541 I HN 0.799 nan 8.210 nan 0.000 0.422 542 D N 0.180 120.002 120.400 -0.963 0.000 2.264 542 D HA -0.152 4.488 4.640 0.001 0.000 0.208 542 D C 1.839 177.755 176.300 -0.640 0.000 0.966 542 D CA 1.159 54.239 54.000 -1.535 0.000 0.864 542 D CB -0.277 39.767 40.800 -1.260 0.000 0.933 542 D HN 0.477 nan 8.370 nan 0.000 0.499 543 A N 0.446 123.069 122.820 -0.329 0.000 2.169 543 A HA -0.012 4.309 4.320 0.001 0.000 0.212 543 A C 0.899 178.512 177.584 0.048 0.000 1.153 543 A CA 0.277 52.283 52.037 -0.052 0.000 0.756 543 A CB -0.162 18.869 19.000 0.052 0.000 0.813 543 A HN 0.178 nan 8.150 nan 0.000 0.471 544 D N -0.316 120.088 120.400 0.007 0.000 2.329 544 D HA 0.208 4.848 4.640 0.001 0.000 0.246 544 D C 0.708 177.094 176.300 0.145 0.000 1.111 544 D CA -0.015 54.061 54.000 0.126 0.000 0.941 544 D CB 0.636 41.463 40.800 0.046 0.000 1.169 544 D HN 0.240 nan 8.370 nan 0.000 0.441 545 N N 1.487 120.324 118.700 0.227 0.000 2.205 545 N HA 0.196 4.936 4.740 0.001 0.000 0.201 545 N C 1.083 176.685 175.510 0.153 0.000 1.128 545 N CA 0.520 53.667 53.050 0.162 0.000 0.867 545 N CB 1.015 39.573 38.487 0.118 0.000 0.996 545 N HN 0.563 nan 8.380 nan 0.000 0.503 546 G N 0.230 109.121 108.800 0.152 0.000 2.481 546 G HA2 -0.243 3.718 3.960 0.001 0.000 0.200 546 G HA3 -0.243 3.718 3.960 0.001 0.000 0.200 546 G C 0.571 175.536 174.900 0.107 0.000 1.012 546 G CA 0.250 45.424 45.100 0.122 0.000 0.676 546 G HN 0.259 nan 8.290 nan 0.000 0.488 547 D N 1.067 121.548 120.400 0.135 0.000 2.117 547 D HA -0.053 4.587 4.640 0.001 0.000 0.197 547 D C 2.615 178.897 176.300 -0.030 0.000 0.987 547 D CA 1.210 55.262 54.000 0.087 0.000 0.829 547 D CB -0.032 40.873 40.800 0.175 0.000 0.961 547 D HN 0.381 nan 8.370 nan 0.000 0.460 548 I N 0.623 121.118 120.570 -0.124 0.000 2.163 548 I HA -0.186 3.985 4.170 0.001 0.000 0.240 548 I C 2.488 178.553 176.117 -0.086 0.000 1.081 548 I CA 0.629 61.830 61.300 -0.164 0.000 1.353 548 I CB -1.128 36.739 38.000 -0.221 0.000 1.054 548 I HN 0.045 nan 8.210 nan 0.000 0.407 549 L N 1.498 122.693 121.223 -0.047 0.000 2.083 549 L HA -0.149 4.191 4.340 0.001 0.000 0.209 549 L C 2.139 178.956 176.870 -0.089 0.000 1.083 549 L CA 1.731 56.545 54.840 -0.043 0.000 0.752 549 L CB -0.962 41.099 42.059 0.002 0.000 0.899 549 L HN 0.197 nan 8.230 nan 0.000 0.433 550 N N -0.922 117.760 118.700 -0.031 0.000 2.104 550 N HA -0.193 4.547 4.740 0.001 0.000 0.190 550 N C 2.075 177.472 175.510 -0.188 0.000 1.024 550 N CA 1.552 54.581 53.050 -0.034 0.000 0.853 550 N CB -0.504 38.081 38.487 0.164 0.000 1.008 550 N HN 0.401 nan 8.380 nan 0.000 0.424 551 S N 0.267 115.911 115.700 -0.092 0.000 2.383 551 S HA 0.039 4.509 4.470 0.001 0.000 0.227 551 S C 1.955 176.484 174.600 -0.118 0.000 1.026 551 S CA 0.673 58.822 58.200 -0.085 0.000 0.981 551 S CB -0.040 63.130 63.200 -0.049 0.000 0.818 551 S HN 0.197 nan 8.310 nan 0.000 0.472 552 M N 1.350 120.877 119.600 -0.121 0.000 2.080 552 M HA -0.120 4.360 4.480 0.001 0.000 0.260 552 M C 2.164 178.375 176.300 -0.147 0.000 1.068 552 M CA 1.445 56.688 55.300 -0.096 0.000 1.109 552 M CB -0.538 32.022 32.600 -0.066 0.000 1.342 552 M HN 0.349 nan 8.290 nan 0.000 0.405 553 N N 0.411 118.934 118.700 -0.295 0.000 2.080 553 N HA -0.095 4.646 4.740 0.001 0.000 0.189 553 N C 1.793 177.075 175.510 -0.380 0.000 1.036 553 N CA 1.731 54.523 53.050 -0.431 0.000 0.846 553 N CB -0.220 37.717 38.487 -0.918 0.000 1.015 553 N HN 0.310 nan 8.380 nan 0.000 0.423 554 A N 1.257 123.809 122.820 -0.447 0.000 1.883 554 A HA -0.163 4.157 4.320 0.001 0.000 0.217 554 A C 2.381 179.940 177.584 -0.042 0.000 1.186 554 A CA 2.296 54.257 52.037 -0.127 0.000 0.624 554 A CB -0.876 18.121 19.000 -0.005 0.000 0.822 554 A HN 0.490 nan 8.150 nan 0.000 0.444 555 S N -0.527 115.142 115.700 -0.052 0.000 2.474 555 S HA 0.046 4.517 4.470 0.001 0.000 0.235 555 S C 1.418 176.018 174.600 0.000 0.000 0.997 555 S CA 1.211 59.404 58.200 -0.011 0.000 0.949 555 S CB -0.441 62.756 63.200 -0.004 0.000 0.766 555 S HN 0.429 nan 8.310 nan 0.000 0.517 556 L N 0.576 121.790 121.223 -0.016 0.000 2.607 556 L HA 0.374 4.714 4.340 0.001 0.000 0.228 556 L C 1.816 178.695 176.870 0.015 0.000 1.123 556 L CA 0.365 55.208 54.840 0.004 0.000 0.890 556 L CB -0.174 41.886 42.059 0.003 0.000 1.103 556 L HN 0.597 nan 8.230 nan 0.000 0.468 557 G N -0.513 108.298 108.800 0.018 0.000 2.176 557 G HA2 -0.243 3.718 3.960 0.001 0.000 0.232 557 G HA3 -0.243 3.718 3.960 0.001 0.000 0.232 557 G C 0.158 175.093 174.900 0.059 0.000 0.986 557 G CA -0.412 44.711 45.100 0.038 0.000 0.643 557 G HN 0.320 nan 8.290 nan 0.000 0.522 558 N N 1.548 120.283 118.700 0.058 0.000 2.492 558 N HA 0.424 5.165 4.740 0.001 0.000 0.262 558 N C 0.678 176.311 175.510 0.205 0.000 1.202 558 N CA 0.895 54.013 53.050 0.113 0.000 0.926 558 N CB 1.197 39.744 38.487 0.099 0.000 1.078 558 N HN 0.697 nan 8.380 nan 0.000 0.454 559 S N 0.123 115.928 115.700 0.175 0.000 2.586 559 S HA 0.674 5.145 4.470 0.001 0.000 0.274 559 S C 0.380 175.057 174.600 0.128 0.000 1.281 559 S CA -1.081 57.207 58.200 0.146 0.000 1.035 559 S CB 1.444 64.689 63.200 0.075 0.000 0.962 559 S HN 0.641 nan 8.310 nan 0.000 0.512 560 A N 1.733 124.553 122.820 0.000 0.000 2.366 560 A HA 0.697 5.017 4.320 0.001 0.000 0.250 560 A C 1.041 178.537 177.584 -0.147 0.000 1.099 560 A CA 0.138 52.019 52.037 -0.259 0.000 0.794 560 A CB -1.010 17.821 19.000 -0.281 0.000 1.056 560 A HN 2.522 nan 8.150 nan 0.000 0.499 561 G N -1.886 106.802 108.800 -0.188 0.000 2.788 561 G HA2 0.248 4.209 3.960 0.001 0.000 0.686 561 G HA3 0.248 4.209 3.960 0.001 0.000 0.686 561 G C -0.641 174.226 174.900 -0.056 0.000 1.147 561 G CA -0.500 44.543 45.100 -0.095 0.000 0.755 561 G HN 1.513 nan 8.290 nan 0.000 0.634 562 V N 2.673 122.566 119.914 -0.035 0.000 2.775 562 V HA 0.551 4.672 4.120 0.001 0.000 0.299 562 V C 0.935 177.035 176.094 0.010 0.000 1.062 562 V CA 0.818 63.116 62.300 -0.003 0.000 1.063 562 V CB 1.268 33.090 31.823 -0.001 0.000 0.994 562 V HN 1.130 nan 8.190 nan 0.000 0.483 563 Q N 0.000 119.817 119.800 0.029 0.000 2.315 563 Q HA 0.000 4.340 4.340 0.001 0.000 0.214 563 Q CA 0.000 55.820 55.803 0.029 0.000 1.022 563 Q CB 0.000 28.762 28.738 0.040 0.000 1.108 563 Q HN 0.000 nan 8.270 nan 0.000 0.481