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 1edq_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 WEFPGGKGAN DATA SEQUENCE PNLGSPQDGE TYVLLMKELR AMLDQLSVET GRKYELTSAI SAGKDKIDKV DATA SEQUENCE AYNVAQNSMD HIFLMSYDFY GAFDLKNLGH QTALNAPAWK PDTAYTTVNG DATA SEQUENCE VNALLAQGVK PGKIVVGTAM YGRGWTGVNG YQNNIPFTGT ATGPVKGTWE DATA SEQUENCE NGIVDYRQIA GQFMSGEWQY 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 0.000 177.582 177.584 -0.003 0.000 1.274 24 A CA 0.000 52.036 52.037 -0.001 0.000 0.836 24 A CB 0.000 19.001 19.000 0.002 0.000 0.831 25 A N 1.372 124.188 122.820 -0.005 0.000 2.429 25 A HA 0.654 4.953 4.320 -0.034 0.000 0.242 25 A C -2.275 175.306 177.584 -0.006 0.000 1.088 25 A CA -0.683 51.349 52.037 -0.009 0.000 0.784 25 A CB -0.834 18.159 19.000 -0.012 0.000 1.038 25 A HN 0.563 nan 8.150 nan 0.000 0.501 26 P HA 0.264 nan 4.420 nan 0.000 0.270 26 P C 0.561 177.861 177.300 -0.001 0.000 1.223 26 P CA 0.307 63.404 63.100 -0.006 0.000 0.785 26 P CB 0.362 32.053 31.700 -0.016 0.000 0.923 27 G N 1.021 109.826 108.800 0.009 0.000 2.664 27 G HA2 0.085 4.025 3.960 -0.034 0.000 0.242 27 G HA3 0.085 4.025 3.960 -0.034 0.000 0.242 27 G C -0.489 174.418 174.900 0.010 0.000 1.225 27 G CA -0.402 44.709 45.100 0.019 0.000 0.849 27 G HN 0.481 nan 8.290 nan 0.000 0.581 28 K N 1.838 122.251 120.400 0.022 0.000 2.285 28 K HA 0.251 4.550 4.320 -0.034 0.000 0.286 28 K C -2.024 174.592 176.600 0.027 0.000 1.072 28 K CA -1.545 54.749 56.287 0.013 0.000 0.913 28 K CB 0.918 33.431 32.500 0.021 0.000 1.067 28 K HN 0.212 nan 8.250 nan 0.000 0.479 29 P HA 0.080 nan 4.420 nan 0.000 0.274 29 P C -0.980 176.349 177.300 0.048 0.000 1.231 29 P CA -0.325 62.787 63.100 0.019 0.000 0.790 29 P CB 0.972 32.639 31.700 -0.056 0.000 0.951 30 T N 2.829 117.436 114.554 0.088 0.000 2.758 30 T HA 0.411 4.741 4.350 -0.034 0.000 0.285 30 T C 0.582 175.325 174.700 0.071 0.000 0.981 30 T CA -0.437 61.720 62.100 0.095 0.000 0.965 30 T CB 0.172 69.184 68.868 0.240 0.000 0.927 30 T HN 0.219 nan 8.240 nan 0.000 0.448 31 I N 2.948 123.518 120.570 0.000 0.000 2.618 31 I HA 0.225 4.375 4.170 -0.034 0.000 0.284 31 I C 1.145 177.200 176.117 -0.103 0.000 1.146 31 I CA -0.500 60.800 61.300 0.001 0.000 1.425 31 I CB 0.464 38.443 38.000 -0.035 0.000 1.383 31 I HN 0.652 nan 8.210 nan 0.000 0.562 32 A N 7.191 129.999 122.820 -0.020 0.000 2.477 32 A HA 0.095 4.395 4.320 -0.034 0.000 0.246 32 A C -0.630 176.925 177.584 -0.049 0.000 1.078 32 A CA -0.263 51.754 52.037 -0.033 0.000 0.770 32 A CB 0.007 19.019 19.000 0.019 0.000 1.011 32 A HN 0.697 nan 8.150 nan 0.000 0.494 33 W N 1.420 122.776 121.300 0.094 0.000 2.257 33 W HA 0.407 5.047 4.660 -0.034 0.000 0.337 33 W C 0.946 177.501 176.519 0.061 0.000 1.321 33 W CA 1.618 59.008 57.345 0.074 0.000 1.267 33 W CB 0.581 30.080 29.460 0.066 0.000 1.187 33 W HN 1.083 nan 8.180 nan 0.000 0.565 34 G N 1.729 110.721 108.800 0.321 0.000 2.356 34 G HA2 0.114 4.054 3.960 -0.034 0.000 0.294 34 G HA3 0.114 4.054 3.960 -0.034 0.000 0.294 34 G C -1.587 173.399 174.900 0.143 0.000 1.423 34 G CA -1.439 43.778 45.100 0.195 0.000 0.806 34 G HN 0.432 nan 8.290 nan 0.000 0.527 35 N N -0.424 118.322 118.700 0.078 0.000 2.412 35 N HA 0.290 5.010 4.740 -0.034 0.000 0.258 35 N C 1.251 176.676 175.510 -0.140 0.000 1.236 35 N CA 1.099 54.110 53.050 -0.065 0.000 0.882 35 N CB 0.947 39.353 38.487 -0.135 0.000 1.066 35 N HN 0.730 nan 8.380 nan 0.000 0.465 36 T N -0.572 113.834 114.554 -0.247 0.000 3.145 36 T HA 0.274 4.604 4.350 -0.034 0.000 0.281 36 T C -0.084 174.326 174.700 -0.483 0.000 1.003 36 T CA -0.313 61.675 62.100 -0.185 0.000 0.901 36 T CB -0.160 68.723 68.868 0.026 0.000 1.112 36 T HN 0.369 nan 8.240 nan 0.000 0.535 37 K N 1.274 121.162 120.400 -0.853 0.000 2.394 37 K HA 0.641 4.940 4.320 -0.034 0.000 0.260 37 K C -1.588 174.447 176.600 -0.942 0.000 0.967 37 K CA -0.605 55.280 56.287 -0.669 0.000 0.855 37 K CB 1.338 33.556 32.500 -0.470 0.000 1.101 37 K HN 0.132 nan 8.250 nan 0.000 0.433 38 F N 0.787 120.663 119.950 -0.123 0.000 2.611 38 F HA 0.720 5.227 4.527 -0.034 0.000 0.324 38 F C -0.165 175.545 175.800 -0.150 0.000 1.061 38 F CA -1.069 56.854 58.000 -0.128 0.000 0.954 38 F CB 1.988 40.920 39.000 -0.114 0.000 1.301 38 F HN 0.431 nan 8.300 nan 0.000 0.482 39 A N 1.123 123.979 122.820 0.060 0.000 2.455 39 A HA 0.688 4.988 4.320 -0.034 0.000 0.300 39 A C -0.053 177.547 177.584 0.027 0.000 1.040 39 A CA -0.514 51.505 52.037 -0.030 0.000 0.697 39 A CB 0.915 19.841 19.000 -0.123 0.000 1.265 39 A HN 0.794 nan 8.150 nan 0.000 0.407 40 I N 0.978 121.575 120.570 0.045 0.000 2.400 40 I HA -0.025 4.125 4.170 -0.034 0.000 0.248 40 I C 0.136 176.269 176.117 0.026 0.000 1.109 40 I CA 1.039 62.360 61.300 0.035 0.000 1.425 40 I CB 0.224 38.248 38.000 0.041 0.000 1.094 40 I HN 0.348 nan 8.210 nan 0.000 0.425 41 V N 2.706 122.666 119.914 0.076 0.000 2.333 41 V HA 0.169 4.269 4.120 -0.034 0.000 0.274 41 V C -0.140 176.037 176.094 0.137 0.000 1.028 41 V CA -0.548 61.777 62.300 0.043 0.000 0.851 41 V CB 0.815 32.594 31.823 -0.073 0.000 1.000 41 V HN 0.194 nan 8.190 nan 0.000 0.456 42 E N 3.237 123.469 120.200 0.052 0.000 2.301 42 E HA 0.516 4.846 4.350 -0.034 0.000 0.275 42 E C -1.002 175.647 176.600 0.082 0.000 1.030 42 E CA -0.513 55.916 56.400 0.048 0.000 0.852 42 E CB 2.188 31.898 29.700 0.016 0.000 1.060 42 E HN 0.431 nan 8.360 nan 0.000 0.401 43 V N 2.782 122.752 119.914 0.092 0.000 2.409 43 V HA 0.085 4.185 4.120 -0.034 0.000 0.291 43 V C -0.319 175.827 176.094 0.087 0.000 1.020 43 V CA -0.846 61.532 62.300 0.130 0.000 0.848 43 V CB 1.658 33.605 31.823 0.207 0.000 0.990 43 V HN 0.636 nan 8.190 nan 0.000 0.430 44 D N 3.918 124.367 120.400 0.082 0.000 2.317 44 D HA 0.140 4.760 4.640 -0.034 0.000 0.252 44 D C 0.856 177.213 176.300 0.094 0.000 1.174 44 D CA -0.101 53.943 54.000 0.073 0.000 0.866 44 D CB 1.561 42.394 40.800 0.056 0.000 1.127 44 D HN 0.437 nan 8.370 nan 0.000 0.467 45 Q N 2.310 122.168 119.800 0.097 0.000 2.444 45 Q HA 0.101 4.421 4.340 -0.034 0.000 0.206 45 Q C 0.174 176.235 176.000 0.102 0.000 0.948 45 Q CA 0.307 56.178 55.803 0.114 0.000 0.946 45 Q CB 0.566 29.378 28.738 0.123 0.000 1.027 45 Q HN 0.504 nan 8.270 nan 0.000 0.513 46 A N 0.222 123.092 122.820 0.083 0.000 3.105 46 A HA 0.672 4.972 4.320 -0.034 0.000 0.297 46 A C -0.425 177.199 177.584 0.067 0.000 0.977 46 A CA -0.130 51.949 52.037 0.070 0.000 1.020 46 A CB 0.262 19.294 19.000 0.052 0.000 1.098 46 A HN 0.043 nan 8.150 nan 0.000 0.497 47 A N -0.190 122.680 122.820 0.083 0.000 2.408 47 A HA 0.640 4.940 4.320 -0.034 0.000 0.295 47 A C 0.603 178.250 177.584 0.106 0.000 1.040 47 A CA 0.287 52.374 52.037 0.082 0.000 0.707 47 A CB 0.718 19.764 19.000 0.076 0.000 1.235 47 A HN 0.852 nan 8.150 nan 0.000 0.418 48 T N -0.948 113.665 114.554 0.097 0.000 3.022 48 T HA 0.490 4.819 4.350 -0.034 0.000 0.250 48 T C 0.802 175.581 174.700 0.131 0.000 1.060 48 T CA 0.815 62.983 62.100 0.114 0.000 1.013 48 T CB 0.070 68.991 68.868 0.089 0.000 0.982 48 T HN 1.469 nan 8.240 nan 0.000 0.508 49 A N 0.839 123.729 122.820 0.117 0.000 2.301 49 A HA 0.569 4.868 4.320 -0.034 0.000 0.298 49 A C 0.675 178.367 177.584 0.181 0.000 1.185 49 A CA -0.733 51.385 52.037 0.134 0.000 0.830 49 A CB 0.156 19.211 19.000 0.092 0.000 1.112 49 A HN 0.329 nan 8.150 nan 0.000 0.508 50 Y N 3.099 123.464 120.300 0.107 0.000 2.193 50 Y HA -0.271 4.259 4.550 -0.034 0.000 0.285 50 Y C 1.858 177.836 175.900 0.129 0.000 1.166 50 Y CA 2.630 60.817 58.100 0.146 0.000 1.181 50 Y CB -0.104 38.458 38.460 0.170 0.000 0.976 50 Y HN 0.789 nan 8.280 nan 0.000 0.520 51 N N 0.442 119.180 118.700 0.064 0.000 2.149 51 N HA -0.194 4.526 4.740 -0.034 0.000 0.188 51 N C 1.173 176.648 175.510 -0.059 0.000 1.019 51 N CA 1.919 54.953 53.050 -0.027 0.000 0.857 51 N CB -0.529 37.983 38.487 0.040 0.000 0.997 51 N HN 0.611 nan 8.380 nan 0.000 0.426 52 N N -0.525 118.168 118.700 -0.012 0.000 2.405 52 N HA 0.052 4.772 4.740 -0.034 0.000 0.175 52 N C 1.450 176.960 175.510 -0.001 0.000 1.051 52 N CA -0.158 52.891 53.050 -0.001 0.000 0.899 52 N CB 0.179 38.683 38.487 0.029 0.000 1.000 52 N HN 0.007 nan 8.380 nan 0.000 0.451 53 L N 1.123 122.348 121.223 0.004 0.000 2.012 53 L HA 0.006 4.326 4.340 -0.034 0.000 0.210 53 L C 0.544 177.431 176.870 0.029 0.000 1.073 53 L CA 1.243 56.114 54.840 0.050 0.000 0.748 53 L CB -0.169 41.964 42.059 0.122 0.000 0.891 53 L HN 0.019 nan 8.230 nan 0.000 0.431 54 V N -1.258 118.605 119.914 -0.086 0.000 2.604 54 V HA 0.474 4.574 4.120 -0.034 0.000 0.305 54 V C -0.655 175.362 176.094 -0.127 0.000 1.043 54 V CA -0.758 61.492 62.300 -0.082 0.000 0.888 54 V CB 1.594 33.346 31.823 -0.118 0.000 0.995 54 V HN 0.270 nan 8.190 nan 0.000 0.429 55 K N 4.682 125.031 120.400 -0.085 0.000 2.535 55 K HA 0.619 4.919 4.320 -0.034 0.000 0.253 55 K C -1.588 174.957 176.600 -0.092 0.000 0.953 55 K CA -0.625 55.612 56.287 -0.083 0.000 0.863 55 K CB 2.037 34.512 32.500 -0.042 0.000 1.111 55 K HN 0.735 nan 8.250 nan 0.000 0.431 56 V N 5.371 125.210 119.914 -0.124 0.000 2.427 56 V HA 0.184 4.284 4.120 -0.034 0.000 0.268 56 V C 0.006 176.056 176.094 -0.072 0.000 1.046 56 V CA -0.254 61.973 62.300 -0.122 0.000 0.970 56 V CB 0.660 32.387 31.823 -0.159 0.000 1.001 56 V HN 0.719 nan 8.190 nan 0.000 0.476 57 K N 3.339 123.708 120.400 -0.051 0.000 2.139 57 K HA 0.420 4.720 4.320 -0.034 0.000 0.243 57 K C 0.488 177.071 176.600 -0.028 0.000 0.983 57 K CA -0.645 55.622 56.287 -0.033 0.000 0.890 57 K CB 1.202 33.689 32.500 -0.023 0.000 1.090 57 K HN 0.446 nan 8.250 nan 0.000 0.445 58 N N -0.157 118.531 118.700 -0.020 0.000 2.457 58 N HA 0.003 4.723 4.740 -0.034 0.000 0.180 58 N C -0.615 174.892 175.510 -0.004 0.000 1.050 58 N CA 0.259 53.302 53.050 -0.012 0.000 0.906 58 N CB 0.452 38.934 38.487 -0.008 0.000 0.968 58 N HN 0.512 nan 8.380 nan 0.000 0.445 59 A N -0.311 122.504 122.820 -0.008 0.000 2.605 59 A HA 0.737 5.036 4.320 -0.034 0.000 0.294 59 A C -1.324 176.246 177.584 -0.022 0.000 1.062 59 A CA -0.820 51.212 52.037 -0.007 0.000 0.682 59 A CB 0.712 19.708 19.000 -0.007 0.000 1.278 59 A HN 0.079 nan 8.150 nan 0.000 0.410 60 A N 1.084 123.887 122.820 -0.028 0.000 2.440 60 A HA 0.513 4.812 4.320 -0.034 0.000 0.251 60 A C -0.401 177.099 177.584 -0.139 0.000 1.089 60 A CA -0.167 51.840 52.037 -0.050 0.000 0.779 60 A CB -0.063 18.931 19.000 -0.010 0.000 1.022 60 A HN 0.639 nan 8.150 nan 0.000 0.492 61 D N 2.066 122.383 120.400 -0.138 0.000 2.336 61 D HA 0.342 4.961 4.640 -0.034 0.000 0.249 61 D C -0.341 175.662 176.300 -0.495 0.000 1.213 61 D CA 0.404 54.260 54.000 -0.241 0.000 0.870 61 D CB 1.148 41.873 40.800 -0.126 0.000 1.076 61 D HN 0.154 nan 8.370 nan 0.000 0.483 62 V N 1.650 121.025 119.914 -0.899 0.000 2.630 62 V HA 0.481 4.580 4.120 -0.034 0.000 0.305 62 V C 0.305 175.656 176.094 -1.238 0.000 1.046 62 V CA -0.523 60.816 62.300 -1.602 0.000 0.934 62 V CB 2.057 32.822 31.823 -1.764 0.000 1.003 62 V HN 0.450 nan 8.190 nan 0.000 0.451 63 S N 2.484 117.668 115.700 -0.859 0.000 2.536 63 S HA 0.872 5.322 4.470 -0.034 0.000 0.287 63 S C -1.333 173.179 174.600 -0.146 0.000 1.101 63 S CA -0.424 57.544 58.200 -0.386 0.000 0.950 63 S CB 1.756 64.871 63.200 -0.143 0.000 1.056 63 S HN 0.513 nan 8.310 nan 0.000 0.481 64 V N 2.910 122.799 119.914 -0.043 0.000 2.888 64 V HA 0.695 4.795 4.120 -0.034 0.000 0.309 64 V C -0.369 175.774 176.094 0.082 0.000 1.114 64 V CA -0.660 61.699 62.300 0.097 0.000 0.940 64 V CB 2.121 34.064 31.823 0.200 0.000 1.021 64 V HN 0.880 nan 8.190 nan 0.000 0.426 65 S N 1.966 117.709 115.700 0.072 0.000 2.671 65 S HA 0.904 5.354 4.470 -0.034 0.000 0.299 65 S C -1.473 173.194 174.600 0.110 0.000 1.116 65 S CA -0.658 57.484 58.200 -0.096 0.000 0.912 65 S CB 2.161 65.239 63.200 -0.203 0.000 1.130 65 S HN 0.914 nan 8.310 nan 0.000 0.501 66 W N 0.155 121.396 121.300 -0.098 0.000 3.137 66 W HA 0.710 5.349 4.660 -0.034 0.000 0.324 66 W C -1.616 174.807 176.519 -0.160 0.000 1.253 66 W CA -0.584 56.695 57.345 -0.111 0.000 1.183 66 W CB 0.593 29.993 29.460 -0.100 0.000 1.424 66 W HN 0.363 nan 8.180 nan 0.000 0.566 67 N N 1.510 120.185 118.700 -0.042 0.000 2.265 67 N HA 0.618 5.337 4.740 -0.034 0.000 0.300 67 N C -2.130 173.195 175.510 -0.309 0.000 1.148 67 N CA -0.757 52.087 53.050 -0.344 0.000 0.772 67 N CB 2.571 40.628 38.487 -0.717 0.000 1.434 67 N HN 0.625 nan 8.380 nan 0.000 0.481 68 L N 1.085 122.069 121.223 -0.400 0.000 2.343 68 L HA 0.462 4.782 4.340 -0.034 0.000 0.278 68 L C -0.474 176.194 176.870 -0.337 0.000 0.996 68 L CA -0.360 54.332 54.840 -0.247 0.000 0.831 68 L CB 1.001 43.034 42.059 -0.045 0.000 1.232 68 L HN 0.646 nan 8.230 nan 0.000 0.413 69 W N 2.695 124.025 121.300 0.050 0.000 2.812 69 W HA 0.250 4.890 4.660 -0.034 0.000 0.263 69 W C 0.150 176.688 176.519 0.032 0.000 1.284 69 W CA -0.287 57.080 57.345 0.037 0.000 1.430 69 W CB 0.404 29.883 29.460 0.032 0.000 1.088 69 W HN 0.479 nan 8.180 nan 0.000 0.623 70 N N -0.760 118.063 118.700 0.205 0.000 2.454 70 N HA 0.538 5.258 4.740 -0.034 0.000 0.291 70 N C -0.142 175.416 175.510 0.079 0.000 1.079 70 N CA 0.271 53.401 53.050 0.134 0.000 0.893 70 N CB 2.044 40.604 38.487 0.122 0.000 1.512 70 N HN 0.044 nan 8.380 nan 0.000 0.497 71 G N 1.234 110.070 108.800 0.060 0.000 2.526 71 G HA2 -0.160 3.780 3.960 -0.034 0.000 0.250 71 G HA3 -0.160 3.780 3.960 -0.034 0.000 0.250 71 G C -1.579 173.338 174.900 0.029 0.000 1.289 71 G CA -0.912 44.212 45.100 0.040 0.000 0.947 71 G HN 0.573 nan 8.290 nan 0.000 0.517 72 D N 0.323 120.737 120.400 0.023 0.000 2.351 72 D HA 0.414 5.034 4.640 -0.034 0.000 0.251 72 D C 1.992 178.303 176.300 0.019 0.000 1.137 72 D CA 0.655 54.665 54.000 0.018 0.000 0.879 72 D CB 1.157 41.965 40.800 0.013 0.000 1.181 72 D HN 0.820 nan 8.370 nan 0.000 0.448 73 T N 0.856 115.425 114.554 0.024 0.000 3.160 73 T HA 0.333 4.663 4.350 -0.034 0.000 0.257 73 T C 1.123 175.842 174.700 0.032 0.000 1.147 73 T CA 0.344 62.467 62.100 0.038 0.000 1.064 73 T CB -0.413 68.490 68.868 0.059 0.000 0.949 73 T HN 0.720 nan 8.240 nan 0.000 0.526 74 G N 1.102 109.912 108.800 0.016 0.000 2.782 74 G HA2 -0.175 3.764 3.960 -0.034 0.000 0.228 74 G HA3 -0.175 3.764 3.960 -0.034 0.000 0.228 74 G C 0.497 175.405 174.900 0.012 0.000 1.372 74 G CA 0.287 45.390 45.100 0.004 0.000 0.862 74 G HN 0.978 nan 8.290 nan 0.000 0.547 75 T N -3.996 110.559 114.554 0.001 0.000 2.975 75 T HA 0.513 4.843 4.350 -0.034 0.000 0.257 75 T C 0.770 175.469 174.700 -0.002 0.000 1.003 75 T CA 1.418 63.520 62.100 0.004 0.000 0.932 75 T CB 0.648 69.512 68.868 -0.006 0.000 1.087 75 T HN 1.089 nan 8.240 nan 0.000 0.512 76 T N 2.105 116.649 114.554 -0.018 0.000 2.881 76 T HA 0.766 5.095 4.350 -0.034 0.000 0.290 76 T C -0.852 173.826 174.700 -0.038 0.000 1.000 76 T CA -0.624 61.455 62.100 -0.036 0.000 0.978 76 T CB 1.747 70.572 68.868 -0.072 0.000 0.997 76 T HN 0.458 nan 8.240 nan 0.000 0.443 77 A N 3.402 126.223 122.820 0.002 0.000 2.324 77 A HA 0.829 5.129 4.320 -0.034 0.000 0.330 77 A C -0.363 177.218 177.584 -0.004 0.000 1.165 77 A CA -0.727 51.281 52.037 -0.049 0.000 0.813 77 A CB 0.797 19.805 19.000 0.012 0.000 1.197 77 A HN 0.752 nan 8.150 nan 0.000 0.484 78 K N 0.920 121.250 120.400 -0.117 0.000 2.426 78 K HA 0.602 4.901 4.320 -0.034 0.000 0.251 78 K C -1.532 174.999 176.600 -0.114 0.000 0.941 78 K CA -0.778 55.484 56.287 -0.042 0.000 0.808 78 K CB 2.604 35.040 32.500 -0.108 0.000 1.265 78 K HN 0.383 nan 8.250 nan 0.000 0.432 79 V N 3.831 123.721 119.914 -0.040 0.000 2.370 79 V HA 0.391 4.491 4.120 -0.034 0.000 0.283 79 V C -0.366 175.598 176.094 -0.216 0.000 1.023 79 V CA -0.839 61.345 62.300 -0.193 0.000 0.857 79 V CB 0.945 32.569 31.823 -0.331 0.000 0.985 79 V HN 0.530 nan 8.190 nan 0.000 0.443 80 L N 5.856 126.985 121.223 -0.158 0.000 2.325 80 L HA 0.635 4.955 4.340 -0.034 0.000 0.278 80 L C -0.700 176.121 176.870 -0.081 0.000 1.023 80 L CA -0.586 54.183 54.840 -0.118 0.000 0.811 80 L CB 1.726 43.737 42.059 -0.079 0.000 1.249 80 L HN 0.403 nan 8.230 nan 0.000 0.431 81 L N 3.856 125.040 121.223 -0.065 0.000 2.316 81 L HA 0.410 4.729 4.340 -0.034 0.000 0.280 81 L C -0.250 176.682 176.870 0.103 0.000 1.006 81 L CA -0.655 54.199 54.840 0.024 0.000 0.836 81 L CB 1.209 43.211 42.059 -0.095 0.000 1.221 81 L HN 0.666 nan 8.230 nan 0.000 0.418 82 N N 3.056 121.830 118.700 0.122 0.000 2.721 82 N HA -0.215 4.505 4.740 -0.034 0.000 0.249 82 N C 1.002 176.537 175.510 0.043 0.000 1.072 82 N CA 1.290 54.394 53.050 0.089 0.000 0.710 82 N CB -0.952 37.608 38.487 0.123 0.000 0.993 82 N HN 1.118 nan 8.380 nan 0.000 0.547 83 G N -1.206 107.604 108.800 0.016 0.000 2.205 83 G HA2 -0.376 3.564 3.960 -0.034 0.000 0.261 83 G HA3 -0.376 3.564 3.960 -0.034 0.000 0.261 83 G C 0.022 174.909 174.900 -0.021 0.000 0.980 83 G CA 0.806 45.901 45.100 -0.008 0.000 0.632 83 G HN 0.682 nan 8.290 nan 0.000 0.533 84 K N 1.133 121.522 120.400 -0.018 0.000 2.185 84 K HA 0.471 4.771 4.320 -0.034 0.000 0.269 84 K C 0.280 176.835 176.600 -0.075 0.000 0.987 84 K CA -0.640 55.626 56.287 -0.035 0.000 0.865 84 K CB 0.763 33.255 32.500 -0.012 0.000 1.090 84 K HN 0.250 nan 8.250 nan 0.000 0.450 85 E N 3.055 123.202 120.200 -0.088 0.000 2.415 85 E HA -0.033 4.297 4.350 -0.034 0.000 0.260 85 E C -0.148 176.358 176.600 -0.157 0.000 1.016 85 E CA 0.075 56.400 56.400 -0.125 0.000 0.924 85 E CB 0.804 30.436 29.700 -0.114 0.000 0.961 85 E HN 0.730 nan 8.360 nan 0.000 0.459 86 A N 5.029 127.695 122.820 -0.257 0.000 2.288 86 A HA 0.133 4.433 4.320 -0.034 0.000 0.216 86 A C -0.377 177.019 177.584 -0.313 0.000 1.199 86 A CA -0.167 51.663 52.037 -0.346 0.000 0.891 86 A CB 0.135 18.756 19.000 -0.632 0.000 0.923 86 A HN 0.751 nan 8.150 nan 0.000 0.500 87 W N -0.534 120.477 121.300 -0.481 0.000 3.419 87 W HA 0.482 5.122 4.660 -0.034 0.000 0.298 87 W C -1.127 175.262 176.519 -0.217 0.000 1.260 87 W CA 0.185 57.340 57.345 -0.318 0.000 1.199 87 W CB 1.112 30.350 29.460 -0.369 0.000 1.349 87 W HN 0.280 nan 8.180 nan 0.000 0.557 88 S N 3.517 118.725 115.700 -0.820 0.000 2.537 88 S HA 0.955 5.404 4.470 -0.034 0.000 0.270 88 S C -0.859 172.933 174.600 -1.347 0.000 1.142 88 S CA -0.188 57.527 58.200 -0.808 0.000 0.870 88 S CB 1.716 64.675 63.200 -0.401 0.000 1.112 88 S HN 1.420 nan 8.310 nan 0.000 0.466 89 G N 0.727 108.938 108.800 -0.981 0.000 2.608 89 G HA2 0.710 4.649 3.960 -0.034 0.000 0.291 89 G HA3 0.710 4.649 3.960 -0.034 0.000 0.291 89 G C -3.628 171.178 174.900 -0.155 0.000 1.425 89 G CA -1.223 43.518 45.100 -0.597 0.000 0.787 89 G HN 0.607 nan 8.290 nan 0.000 0.484 90 P HA 0.271 nan 4.420 nan 0.000 0.268 90 P C -0.113 177.262 177.300 0.125 0.000 1.204 90 P CA 0.001 63.116 63.100 0.025 0.000 0.768 90 P CB 1.376 33.088 31.700 0.020 0.000 0.842 91 S N 1.622 117.391 115.700 0.114 0.000 2.400 91 S HA 0.251 4.701 4.470 -0.034 0.000 0.295 91 S C 0.927 175.600 174.600 0.122 0.000 1.113 91 S CA -0.186 58.118 58.200 0.172 0.000 1.064 91 S CB -0.721 62.556 63.200 0.129 0.000 0.990 91 S HN 0.532 nan 8.310 nan 0.000 0.502 92 T N 1.374 116.006 114.554 0.129 0.000 3.040 92 T HA 0.580 4.909 4.350 -0.034 0.000 0.266 92 T C 0.778 175.506 174.700 0.046 0.000 1.005 92 T CA 0.140 62.282 62.100 0.071 0.000 0.906 92 T CB 0.368 69.273 68.868 0.061 0.000 1.082 92 T HN 0.804 nan 8.240 nan 0.000 0.531 93 G N 1.061 109.894 108.800 0.054 0.000 2.348 93 G HA2 0.372 4.312 3.960 -0.034 0.000 0.296 93 G HA3 0.372 4.312 3.960 -0.034 0.000 0.296 93 G C 0.238 175.141 174.900 0.004 0.000 1.258 93 G CA -0.025 45.084 45.100 0.014 0.000 0.868 93 G HN 0.261 nan 8.290 nan 0.000 0.488 94 S N -0.920 114.747 115.700 -0.056 0.000 2.527 94 S HA 0.405 4.854 4.470 -0.034 0.000 0.222 94 S C 0.853 175.338 174.600 -0.191 0.000 0.985 94 S CA 0.925 59.064 58.200 -0.102 0.000 0.921 94 S CB 0.100 63.210 63.200 -0.151 0.000 0.772 94 S HN 0.708 nan 8.310 nan 0.000 0.529 95 S N -0.181 115.379 115.700 -0.234 0.000 2.568 95 S HA 0.848 5.297 4.470 -0.034 0.000 0.293 95 S C -0.085 174.161 174.600 -0.591 0.000 1.089 95 S CA -0.538 57.407 58.200 -0.425 0.000 0.945 95 S CB 1.969 64.951 63.200 -0.363 0.000 1.077 95 S HN 0.617 nan 8.310 nan 0.000 0.485 96 G N 0.270 108.303 108.800 -1.279 0.000 2.660 96 G HA2 0.680 4.620 3.960 -0.034 0.000 0.290 96 G HA3 0.680 4.620 3.960 -0.034 0.000 0.290 96 G C -1.652 172.227 174.900 -1.701 0.000 1.432 96 G CA -0.528 43.755 45.100 -1.362 0.000 0.807 96 G HN 0.617 nan 8.290 nan 0.000 0.485 97 T N -0.349 113.589 114.554 -1.028 0.000 2.912 97 T HA 0.747 5.077 4.350 -0.034 0.000 0.299 97 T C -0.545 173.891 174.700 -0.439 0.000 1.052 97 T CA -0.072 61.651 62.100 -0.628 0.000 0.996 97 T CB 1.787 70.450 68.868 -0.342 0.000 1.070 97 T HN 1.352 nan 8.240 nan 0.000 0.465 98 A N 3.131 125.702 122.820 -0.415 0.000 2.356 98 A HA 0.814 5.114 4.320 -0.034 0.000 0.310 98 A C -0.848 176.498 177.584 -0.397 0.000 1.075 98 A CA -0.888 50.629 52.037 -0.867 0.000 0.746 98 A CB 0.936 19.029 19.000 -1.513 0.000 1.221 98 A HN 0.704 nan 8.150 nan 0.000 0.443 99 N N 1.516 120.069 118.700 -0.246 0.000 2.314 99 N HA 0.778 5.498 4.740 -0.034 0.000 0.294 99 N C -1.171 174.390 175.510 0.085 0.000 1.029 99 N CA 0.039 52.999 53.050 -0.149 0.000 0.845 99 N CB 1.902 40.341 38.487 -0.079 0.000 1.321 99 N HN 0.657 nan 8.380 nan 0.000 0.481 100 F N -1.325 118.564 119.950 -0.102 0.000 2.779 100 F HA 0.580 5.087 4.527 -0.034 0.000 0.316 100 F C -1.000 174.740 175.800 -0.099 0.000 1.164 100 F CA -1.188 56.802 58.000 -0.016 0.000 0.924 100 F CB 1.372 40.416 39.000 0.073 0.000 1.348 100 F HN -0.049 nan 8.300 nan 0.000 0.467 101 K N 1.377 121.864 120.400 0.145 0.000 2.164 101 K HA 0.758 5.057 4.320 -0.034 0.000 0.258 101 K C -1.623 175.016 176.600 0.066 0.000 0.951 101 K CA -1.093 55.199 56.287 0.008 0.000 0.844 101 K CB 2.495 35.009 32.500 0.022 0.000 1.099 101 K HN 0.537 nan 8.250 nan 0.000 0.435 102 V N 3.481 123.374 119.914 -0.036 0.000 2.443 102 V HA 0.096 4.196 4.120 -0.034 0.000 0.293 102 V C 0.032 176.124 176.094 -0.004 0.000 1.021 102 V CA -0.896 61.384 62.300 -0.034 0.000 0.848 102 V CB 1.307 33.053 31.823 -0.129 0.000 0.998 102 V HN 0.854 nan 8.190 nan 0.000 0.424 103 N N 2.787 121.502 118.700 0.024 0.000 2.230 103 N HA 0.098 4.817 4.740 -0.034 0.000 0.202 103 N C -0.038 175.516 175.510 0.072 0.000 1.119 103 N CA -0.227 52.847 53.050 0.040 0.000 0.851 103 N CB 0.478 38.984 38.487 0.031 0.000 0.990 103 N HN 0.668 nan 8.380 nan 0.000 0.497 104 K N 0.120 120.593 120.400 0.123 0.000 2.471 104 K HA 0.551 4.850 4.320 -0.034 0.000 0.252 104 K C -0.162 176.583 176.600 0.242 0.000 0.938 104 K CA -0.820 55.567 56.287 0.167 0.000 0.796 104 K CB 1.625 34.236 32.500 0.185 0.000 1.161 104 K HN 0.088 nan 8.250 nan 0.000 0.425 105 G N 1.470 110.376 108.800 0.176 0.000 2.544 105 G HA2 0.498 4.438 3.960 -0.034 0.000 0.242 105 G HA3 0.498 4.438 3.960 -0.034 0.000 0.242 105 G C 0.028 175.021 174.900 0.154 0.000 1.247 105 G CA 0.368 45.583 45.100 0.192 0.000 0.840 105 G HN 0.905 nan 8.290 nan 0.000 0.578 106 G N 0.193 109.070 108.800 0.128 0.000 2.350 106 G HA2 0.333 4.272 3.960 -0.034 0.000 0.282 106 G HA3 0.333 4.272 3.960 -0.034 0.000 0.282 106 G C -1.102 173.742 174.900 -0.094 0.000 1.314 106 G CA -1.087 43.975 45.100 -0.064 0.000 0.915 106 G HN 0.736 nan 8.290 nan 0.000 0.499 107 R N -0.467 119.890 120.500 -0.237 0.000 2.445 107 R HA 0.630 4.950 4.340 -0.034 0.000 0.308 107 R C -1.420 174.714 176.300 -0.276 0.000 0.961 107 R CA -0.523 55.513 56.100 -0.108 0.000 0.862 107 R CB 1.554 31.828 30.300 -0.043 0.000 1.144 107 R HN 0.485 nan 8.270 nan 0.000 0.447 108 Y N 0.688 121.029 120.300 0.069 0.000 2.446 108 Y HA 0.216 4.745 4.550 -0.034 0.000 0.345 108 Y C 0.094 176.027 175.900 0.054 0.000 0.984 108 Y CA -1.048 57.088 58.100 0.060 0.000 1.058 108 Y CB 1.854 40.360 38.460 0.076 0.000 1.220 108 Y HN 0.203 nan 8.280 nan 0.000 0.455 109 Q N 3.945 123.853 119.800 0.181 0.000 2.389 109 Q HA 0.191 4.510 4.340 -0.034 0.000 0.244 109 Q C -0.496 175.573 176.000 0.115 0.000 1.056 109 Q CA -0.053 55.820 55.803 0.117 0.000 0.908 109 Q CB 1.204 29.983 28.738 0.067 0.000 1.273 109 Q HN 0.580 nan 8.270 nan 0.000 0.471 110 M N 3.170 122.835 119.600 0.109 0.000 2.238 110 M HA 0.288 4.747 4.480 -0.034 0.000 0.350 110 M C -1.092 175.227 176.300 0.032 0.000 1.138 110 M CA -0.087 55.260 55.300 0.078 0.000 1.040 110 M CB 1.033 33.705 32.600 0.119 0.000 1.639 110 M HN 0.553 nan 8.290 nan 0.000 0.451 111 Q N 2.617 122.411 119.800 -0.009 0.000 2.413 111 Q HA 0.695 5.014 4.340 -0.034 0.000 0.276 111 Q C -1.389 174.553 176.000 -0.097 0.000 1.099 111 Q CA -0.996 54.781 55.803 -0.044 0.000 0.814 111 Q CB 3.146 31.855 28.738 -0.048 0.000 1.379 111 Q HN 0.595 nan 8.270 nan 0.000 0.436 112 V N 1.147 120.977 119.914 -0.140 0.000 2.398 112 V HA 0.744 4.844 4.120 -0.034 0.000 0.286 112 V C -0.732 175.199 176.094 -0.270 0.000 1.026 112 V CA -0.503 61.624 62.300 -0.288 0.000 0.868 112 V CB 1.365 32.934 31.823 -0.425 0.000 0.982 112 V HN 0.825 nan 8.190 nan 0.000 0.443 113 A N 6.050 128.704 122.820 -0.275 0.000 2.342 113 A HA 0.896 5.196 4.320 -0.034 0.000 0.323 113 A C -0.956 176.487 177.584 -0.234 0.000 1.125 113 A CA -0.587 51.328 52.037 -0.204 0.000 0.785 113 A CB 0.999 19.916 19.000 -0.138 0.000 1.221 113 A HN 0.783 nan 8.150 nan 0.000 0.463 114 L N 1.494 122.611 121.223 -0.177 0.000 2.307 114 L HA 0.529 4.848 4.340 -0.034 0.000 0.284 114 L C -0.800 176.021 176.870 -0.082 0.000 1.023 114 L CA -0.539 54.221 54.840 -0.133 0.000 0.810 114 L CB 1.514 43.513 42.059 -0.100 0.000 1.231 114 L HN 0.728 nan 8.230 nan 0.000 0.423 115 C N 2.183 121.443 119.300 -0.068 0.000 2.634 115 C HA 0.735 5.175 4.460 -0.034 0.000 0.313 115 C C -0.086 174.881 174.990 -0.037 0.000 1.198 115 C CA -0.828 58.158 59.018 -0.053 0.000 1.605 115 C CB 1.296 28.999 27.740 -0.062 0.000 2.196 115 C HN 0.945 nan 8.230 nan 0.000 0.486 116 N N 0.434 119.115 118.700 -0.031 0.000 3.278 116 N HA 0.568 5.288 4.740 -0.034 0.000 0.307 116 N C 0.319 175.815 175.510 -0.024 0.000 1.551 116 N CA -0.217 52.819 53.050 -0.023 0.000 0.794 116 N CB 0.375 38.853 38.487 -0.015 0.000 1.770 116 N HN 0.523 nan 8.380 nan 0.000 0.612 117 A N -0.902 121.906 122.820 -0.020 0.000 2.019 117 A HA -0.097 4.203 4.320 -0.034 0.000 0.219 117 A C 0.797 178.370 177.584 -0.018 0.000 1.164 117 A CA 1.683 53.709 52.037 -0.019 0.000 0.644 117 A CB -0.747 18.243 19.000 -0.016 0.000 0.805 117 A HN 0.643 nan 8.150 nan 0.000 0.449 118 D N -1.271 119.120 120.400 -0.016 0.000 2.339 118 D HA 0.381 5.001 4.640 -0.034 0.000 0.217 118 D C 0.879 177.170 176.300 -0.016 0.000 1.050 118 D CA 1.337 55.329 54.000 -0.014 0.000 0.856 118 D CB 0.564 41.358 40.800 -0.010 0.000 0.922 118 D HN 0.559 nan 8.370 nan 0.000 0.518 119 G N -0.988 107.800 108.800 -0.020 0.000 2.368 119 G HA2 0.098 4.037 3.960 -0.034 0.000 0.302 119 G HA3 0.098 4.037 3.960 -0.034 0.000 0.302 119 G C -1.579 173.303 174.900 -0.030 0.000 1.329 119 G CA -0.569 44.516 45.100 -0.024 0.000 0.935 119 G HN 0.141 nan 8.290 nan 0.000 0.590 120 C N 0.193 119.472 119.300 -0.034 0.000 2.456 120 C HA 0.916 5.356 4.460 -0.034 0.000 0.325 120 C C 0.222 175.187 174.990 -0.042 0.000 1.217 120 C CA 0.133 59.124 59.018 -0.045 0.000 1.687 120 C CB 0.782 28.491 27.740 -0.051 0.000 2.270 120 C HN 0.959 nan 8.230 nan 0.000 0.499 121 T N 4.494 119.018 114.554 -0.050 0.000 2.847 121 T HA 0.661 4.991 4.350 -0.034 0.000 0.291 121 T C -0.281 174.383 174.700 -0.061 0.000 0.998 121 T CA -0.164 61.910 62.100 -0.043 0.000 0.967 121 T CB 1.326 70.176 68.868 -0.030 0.000 0.954 121 T HN 1.007 nan 8.240 nan 0.000 0.441 122 A N 2.955 125.743 122.820 -0.053 0.000 2.306 122 A HA 0.761 5.061 4.320 -0.034 0.000 0.314 122 A C 0.767 178.320 177.584 -0.052 0.000 1.164 122 A CA -0.773 51.224 52.037 -0.065 0.000 0.822 122 A CB 0.398 19.365 19.000 -0.055 0.000 1.130 122 A HN 0.930 nan 8.150 nan 0.000 0.496 123 S N 2.280 117.942 115.700 -0.064 0.000 2.587 123 S HA 0.126 4.576 4.470 -0.034 0.000 0.260 123 S C -0.088 174.495 174.600 -0.028 0.000 1.353 123 S CA -0.390 57.786 58.200 -0.040 0.000 0.995 123 S CB 0.106 63.278 63.200 -0.047 0.000 0.912 123 S HN 0.650 nan 8.310 nan 0.000 0.568 124 D N 1.068 121.457 120.400 -0.018 0.000 2.378 124 D HA 0.409 5.029 4.640 -0.034 0.000 0.238 124 D C 0.401 176.692 176.300 -0.015 0.000 1.180 124 D CA 0.474 54.466 54.000 -0.013 0.000 0.895 124 D CB 0.375 41.169 40.800 -0.011 0.000 1.192 124 D HN 0.857 nan 8.370 nan 0.000 0.438 125 A N 1.150 123.968 122.820 -0.004 0.000 2.354 125 A HA 0.469 4.768 4.320 -0.034 0.000 0.269 125 A C 0.154 177.745 177.584 0.012 0.000 1.109 125 A CA -0.210 51.831 52.037 0.008 0.000 0.800 125 A CB 0.553 19.564 19.000 0.019 0.000 1.045 125 A HN 0.393 nan 8.150 nan 0.000 0.489 126 T N 1.740 116.310 114.554 0.026 0.000 2.807 126 T HA 0.335 4.665 4.350 -0.034 0.000 0.279 126 T C -0.195 174.551 174.700 0.076 0.000 0.993 126 T CA -0.350 61.773 62.100 0.038 0.000 0.970 126 T CB 1.112 69.996 68.868 0.027 0.000 0.950 126 T HN 0.763 nan 8.240 nan 0.000 0.441 127 E N 3.316 123.563 120.200 0.079 0.000 2.360 127 E HA 0.355 4.684 4.350 -0.034 0.000 0.269 127 E C -0.400 176.280 176.600 0.134 0.000 1.022 127 E CA -0.430 56.031 56.400 0.101 0.000 0.887 127 E CB 0.431 30.174 29.700 0.073 0.000 0.990 127 E HN 0.608 nan 8.360 nan 0.000 0.426 128 I N 0.812 121.499 120.570 0.195 0.000 2.603 128 I HA 0.515 4.665 4.170 -0.034 0.000 0.300 128 I C -1.039 175.235 176.117 0.261 0.000 1.017 128 I CA -1.192 60.256 61.300 0.248 0.000 1.098 128 I CB 1.976 40.187 38.000 0.352 0.000 1.279 128 I HN 0.124 nan 8.210 nan 0.000 0.437 129 V N 5.906 125.943 119.914 0.204 0.000 2.398 129 V HA 0.403 4.503 4.120 -0.034 0.000 0.286 129 V C -0.065 176.159 176.094 0.218 0.000 1.026 129 V CA -0.608 61.792 62.300 0.168 0.000 0.868 129 V CB 1.640 33.499 31.823 0.060 0.000 0.982 129 V HN 0.585 nan 8.190 nan 0.000 0.443 130 V N 4.770 124.838 119.914 0.257 0.000 2.326 130 V HA 0.655 4.755 4.120 -0.034 0.000 0.281 130 V C 0.510 176.660 176.094 0.093 0.000 1.015 130 V CA -0.529 61.907 62.300 0.226 0.000 0.823 130 V CB 1.439 33.445 31.823 0.304 0.000 1.009 130 V HN 0.972 nan 8.190 nan 0.000 0.436 131 A N 3.792 126.547 122.820 -0.109 0.000 2.340 131 A HA 0.739 5.038 4.320 -0.034 0.000 0.268 131 A C -0.384 177.149 177.584 -0.086 0.000 1.100 131 A CA -0.072 51.669 52.037 -0.493 0.000 0.803 131 A CB 0.866 19.302 19.000 -0.941 0.000 1.043 131 A HN 0.752 nan 8.150 nan 0.000 0.488 132 D N -0.897 119.552 120.400 0.081 0.000 2.596 132 D HA 0.393 5.013 4.640 -0.034 0.000 0.262 132 D C 0.786 177.224 176.300 0.231 0.000 1.210 132 D CA 0.458 54.574 54.000 0.193 0.000 0.873 132 D CB 1.605 42.484 40.800 0.133 0.000 1.408 132 D HN 0.447 nan 8.370 nan 0.000 0.441 133 T N -1.939 112.623 114.554 0.013 0.000 3.169 133 T HA 0.034 4.364 4.350 -0.034 0.000 0.250 133 T C 0.724 175.516 174.700 0.154 0.000 1.111 133 T CA 0.246 62.320 62.100 -0.042 0.000 1.010 133 T CB -0.192 68.612 68.868 -0.107 0.000 0.984 133 T HN 0.364 nan 8.240 nan 0.000 0.537 134 D N 1.131 121.610 120.400 0.132 0.000 2.349 134 D HA 0.145 4.765 4.640 -0.034 0.000 0.224 134 D C 1.663 178.021 176.300 0.097 0.000 1.029 134 D CA 0.504 54.578 54.000 0.124 0.000 0.879 134 D CB -0.899 39.951 40.800 0.084 0.000 0.906 134 D HN 0.541 nan 8.370 nan 0.000 0.528 135 G N 0.478 109.365 108.800 0.145 0.000 2.143 135 G HA2 -0.361 3.579 3.960 -0.034 0.000 0.248 135 G HA3 -0.361 3.579 3.960 -0.034 0.000 0.248 135 G C 1.103 175.991 174.900 -0.019 0.000 0.991 135 G CA 0.867 45.975 45.100 0.014 0.000 0.689 135 G HN 0.597 nan 8.290 nan 0.000 0.522 136 S N 0.286 116.069 115.700 0.139 0.000 2.469 136 S HA -0.132 4.318 4.470 -0.034 0.000 0.238 136 S C 1.862 176.509 174.600 0.078 0.000 0.998 136 S CA 1.583 59.832 58.200 0.081 0.000 0.957 136 S CB -0.535 62.726 63.200 0.101 0.000 0.764 136 S HN 1.051 nan 8.310 nan 0.000 0.514 137 H N 0.483 119.569 119.070 0.027 0.000 2.553 137 H HA 0.423 4.959 4.556 -0.034 0.000 0.265 137 H C 0.366 175.685 175.328 -0.015 0.000 0.964 137 H CA -0.384 55.671 56.048 0.011 0.000 1.156 137 H CB -0.372 29.414 29.762 0.040 0.000 1.411 137 H HN 0.358 nan 8.280 nan 0.000 0.558 138 L N 1.607 122.530 121.223 -0.499 0.000 2.322 138 L HA 0.545 4.865 4.340 -0.034 0.000 0.279 138 L C 0.543 177.284 176.870 -0.216 0.000 1.036 138 L CA -1.012 53.583 54.840 -0.408 0.000 0.807 138 L CB 1.583 43.346 42.059 -0.494 0.000 1.226 138 L HN 0.132 nan 8.230 nan 0.000 0.433 139 A N 3.980 126.701 122.820 -0.164 0.000 2.466 139 A HA 0.405 4.705 4.320 -0.034 0.000 0.238 139 A C -2.294 175.206 177.584 -0.140 0.000 1.074 139 A CA -0.879 51.081 52.037 -0.127 0.000 0.774 139 A CB -0.596 18.342 19.000 -0.102 0.000 1.015 139 A HN 0.442 nan 8.150 nan 0.000 0.498 140 P HA 0.185 nan 4.420 nan 0.000 0.271 140 P C -0.643 176.577 177.300 -0.133 0.000 1.216 140 P CA -0.188 62.826 63.100 -0.143 0.000 0.771 140 P CB 0.372 31.982 31.700 -0.151 0.000 0.864 141 L N 4.271 125.413 121.223 -0.135 0.000 2.356 141 L HA 0.258 4.578 4.340 -0.034 0.000 0.282 141 L C 0.359 177.174 176.870 -0.091 0.000 1.132 141 L CA 0.205 54.977 54.840 -0.113 0.000 0.923 141 L CB -0.639 41.348 42.059 -0.120 0.000 1.278 141 L HN 0.185 nan 8.230 nan 0.000 0.436 142 K N 3.326 123.673 120.400 -0.087 0.000 2.533 142 K HA 0.321 4.620 4.320 -0.034 0.000 0.207 142 K C -0.612 175.969 176.600 -0.033 0.000 1.052 142 K CA -0.343 55.903 56.287 -0.069 0.000 1.030 142 K CB 0.302 32.733 32.500 -0.115 0.000 1.522 142 K HN 0.421 nan 8.250 nan 0.000 0.543 143 E N 1.977 122.168 120.200 -0.015 0.000 2.283 143 E HA 0.285 4.614 4.350 -0.034 0.000 0.271 143 E C -2.208 174.389 176.600 -0.005 0.000 1.031 143 E CA -2.143 54.242 56.400 -0.024 0.000 0.868 143 E CB 0.730 30.403 29.700 -0.044 0.000 1.094 143 E HN 0.399 nan 8.360 nan 0.000 0.401 144 P HA 0.091 nan 4.420 nan 0.000 0.269 144 P C -0.225 177.077 177.300 0.003 0.000 1.209 144 P CA -0.043 63.055 63.100 -0.004 0.000 0.776 144 P CB 0.394 32.088 31.700 -0.009 0.000 0.876 145 L N 2.429 123.661 121.223 0.015 0.000 2.453 145 L HA 0.138 4.458 4.340 -0.034 0.000 0.272 145 L C 0.607 177.492 176.870 0.025 0.000 1.182 145 L CA 0.037 54.893 54.840 0.027 0.000 0.858 145 L CB -0.286 41.795 42.059 0.038 0.000 1.120 145 L HN 0.225 nan 8.230 nan 0.000 0.474 146 L N 2.663 123.907 121.223 0.035 0.000 2.331 146 L HA 0.449 4.769 4.340 -0.034 0.000 0.268 146 L C 0.710 177.616 176.870 0.061 0.000 1.015 146 L CA -0.667 54.196 54.840 0.038 0.000 0.807 146 L CB 1.153 43.229 42.059 0.027 0.000 1.293 146 L HN 0.745 nan 8.230 nan 0.000 0.451 147 E N 0.022 120.256 120.200 0.057 0.000 3.401 147 E HA -0.339 3.991 4.350 -0.034 0.000 0.352 147 E C 0.397 177.035 176.600 0.063 0.000 1.523 147 E CA 1.747 58.186 56.400 0.065 0.000 1.794 147 E CB -0.528 29.228 29.700 0.094 0.000 1.792 147 E HN 0.592 nan 8.360 nan 0.000 0.471 148 K N 1.342 121.790 120.400 0.079 0.000 2.387 148 K HA 0.181 4.481 4.320 -0.034 0.000 0.198 148 K C -0.038 176.616 176.600 0.090 0.000 1.022 148 K CA -0.162 56.172 56.287 0.078 0.000 1.128 148 K CB -0.037 32.516 32.500 0.089 0.000 0.853 148 K HN 0.203 nan 8.250 nan 0.000 0.523 149 N N 2.553 121.310 118.700 0.094 0.000 2.483 149 N HA 0.031 4.751 4.740 -0.034 0.000 0.264 149 N C -0.326 175.240 175.510 0.093 0.000 1.197 149 N CA 0.664 53.779 53.050 0.108 0.000 0.927 149 N CB 0.730 39.280 38.487 0.104 0.000 1.065 149 N HN -0.079 nan 8.380 nan 0.000 0.461 150 K N 2.173 122.649 120.400 0.126 0.000 2.328 150 K HA 0.517 4.816 4.320 -0.034 0.000 0.246 150 K C -2.466 174.131 176.600 -0.006 0.000 0.955 150 K CA -1.864 54.445 56.287 0.037 0.000 0.817 150 K CB 1.940 34.446 32.500 0.011 0.000 1.208 150 K HN 0.318 nan 8.250 nan 0.000 0.432 151 P HA 0.258 nan 4.420 nan 0.000 0.281 151 P C -1.195 175.910 177.300 -0.324 0.000 1.252 151 P CA -0.130 62.905 63.100 -0.108 0.000 0.778 151 P CB 0.347 32.001 31.700 -0.078 0.000 0.895 152 Y N 0.891 121.201 120.300 0.016 0.000 2.462 152 Y HA 0.370 4.900 4.550 -0.034 0.000 0.346 152 Y C 0.901 176.811 175.900 0.017 0.000 0.976 152 Y CA -0.792 57.318 58.100 0.017 0.000 1.044 152 Y CB 2.455 40.925 38.460 0.017 0.000 1.230 152 Y HN 0.139 nan 8.280 nan 0.000 0.455 153 K N 2.394 122.890 120.400 0.161 0.000 2.234 153 K HA 0.193 4.493 4.320 -0.034 0.000 0.282 153 K C -0.528 176.141 176.600 0.116 0.000 1.039 153 K CA -0.757 55.594 56.287 0.108 0.000 0.928 153 K CB 0.661 33.205 32.500 0.073 0.000 1.039 153 K HN 0.477 nan 8.250 nan 0.000 0.470 154 Q N 3.263 123.115 119.800 0.086 0.000 2.815 154 Q HA -0.012 4.307 4.340 -0.034 0.000 0.235 154 Q C 0.013 176.051 176.000 0.063 0.000 1.354 154 Q CA 0.179 56.025 55.803 0.071 0.000 0.953 154 Q CB -0.368 28.404 28.738 0.056 0.000 1.613 154 Q HN 0.559 nan 8.270 nan 0.000 0.572 155 N N -1.678 117.061 118.700 0.065 0.000 2.170 155 N HA -0.069 4.651 4.740 -0.034 0.000 0.222 155 N C 0.817 176.358 175.510 0.051 0.000 1.218 155 N CA 0.254 53.336 53.050 0.054 0.000 0.889 155 N CB 0.095 38.613 38.487 0.052 0.000 1.083 155 N HN 0.110 nan 8.380 nan 0.000 0.520 156 S N -0.607 115.124 115.700 0.052 0.000 2.436 156 S HA 0.212 4.661 4.470 -0.034 0.000 0.228 156 S C 1.677 176.304 174.600 0.044 0.000 1.014 156 S CA 0.786 59.013 58.200 0.045 0.000 0.950 156 S CB -0.775 62.449 63.200 0.040 0.000 0.784 156 S HN 0.624 nan 8.310 nan 0.000 0.504 157 G N 0.821 109.652 108.800 0.052 0.000 2.159 157 G HA2 -0.199 3.741 3.960 -0.034 0.000 0.256 157 G HA3 -0.199 3.741 3.960 -0.034 0.000 0.256 157 G C -0.064 174.876 174.900 0.066 0.000 0.977 157 G CA 0.310 45.445 45.100 0.058 0.000 0.652 157 G HN 0.505 nan 8.290 nan 0.000 0.531 158 K N 0.335 120.772 120.400 0.061 0.000 2.123 158 K HA 0.639 4.939 4.320 -0.034 0.000 0.259 158 K C 0.632 177.273 176.600 0.068 0.000 0.960 158 K CA -0.842 55.480 56.287 0.059 0.000 0.872 158 K CB 2.087 34.615 32.500 0.046 0.000 1.079 158 K HN 0.090 nan 8.250 nan 0.000 0.440 159 V N 2.101 122.042 119.914 0.046 0.000 2.673 159 V HA 0.054 4.154 4.120 -0.034 0.000 0.303 159 V C 0.091 176.237 176.094 0.086 0.000 1.046 159 V CA -0.183 62.135 62.300 0.030 0.000 1.126 159 V CB 0.857 32.591 31.823 -0.149 0.000 0.934 159 V HN 0.362 nan 8.190 nan 0.000 0.487 160 V N 4.719 124.707 119.914 0.122 0.000 2.398 160 V HA 0.699 4.799 4.120 -0.034 0.000 0.282 160 V C 0.417 176.590 176.094 0.132 0.000 1.014 160 V CA -0.176 62.186 62.300 0.103 0.000 0.838 160 V CB 1.308 33.163 31.823 0.053 0.000 1.018 160 V HN 0.990 nan 8.190 nan 0.000 0.432 161 G N 1.944 110.836 108.800 0.153 0.000 2.498 161 G HA2 0.767 4.707 3.960 -0.034 0.000 0.312 161 G HA3 0.767 4.707 3.960 -0.034 0.000 0.312 161 G C -1.033 173.936 174.900 0.115 0.000 1.230 161 G CA -0.628 44.545 45.100 0.121 0.000 0.968 161 G HN 0.647 nan 8.290 nan 0.000 0.481 162 S N -1.182 114.543 115.700 0.043 0.000 2.570 162 S HA 0.609 5.059 4.470 -0.034 0.000 0.270 162 S C -1.830 172.763 174.600 -0.012 0.000 1.149 162 S CA -0.583 57.666 58.200 0.082 0.000 0.837 162 S CB 1.000 64.230 63.200 0.049 0.000 1.124 162 S HN 0.416 nan 8.310 nan 0.000 0.465 163 Y N 1.827 122.115 120.300 -0.020 0.000 2.323 163 Y HA 0.570 5.100 4.550 -0.034 0.000 0.331 163 Y C -0.266 175.474 175.900 -0.267 0.000 1.092 163 Y CA -0.403 57.623 58.100 -0.123 0.000 1.150 163 Y CB 1.003 39.367 38.460 -0.160 0.000 1.200 163 Y HN 0.585 nan 8.280 nan 0.000 0.472 164 F N 4.442 124.264 119.950 -0.214 0.000 2.458 164 F HA 0.627 5.133 4.527 -0.033 0.000 0.336 164 F C -0.769 174.696 175.800 -0.559 0.000 1.114 164 F CA -1.215 56.599 58.000 -0.309 0.000 0.987 164 F CB 0.824 39.771 39.000 -0.089 0.000 1.130 164 F HN 0.247 nan 8.300 nan 0.000 0.458 165 V N 3.584 122.663 119.914 -1.392 0.000 2.472 165 V HA 0.404 4.503 4.120 -0.034 0.000 0.290 165 V C 0.994 176.194 176.094 -1.490 0.000 1.037 165 V CA -0.441 60.904 62.300 -1.591 0.000 0.908 165 V CB 1.596 32.147 31.823 -2.120 0.000 0.985 165 V HN 1.024 nan 8.190 nan 0.000 0.454 166 E N 3.576 123.166 120.200 -1.018 0.000 2.118 166 E HA -0.208 4.122 4.350 -0.034 0.000 0.195 166 E C 1.421 177.911 176.600 -0.183 0.000 0.992 166 E CA 2.428 58.630 56.400 -0.330 0.000 0.804 166 E CB -0.081 29.649 29.700 0.051 0.000 0.741 166 E HN 1.004 nan 8.360 nan 0.000 0.458 167 W N -0.794 120.437 121.300 -0.114 0.000 3.180 167 W HA 0.392 5.031 4.660 -0.034 0.000 0.254 167 W C 1.475 177.920 176.519 -0.124 0.000 1.318 167 W CA 0.097 57.449 57.345 0.013 0.000 1.608 167 W CB -0.501 29.008 29.460 0.082 0.000 1.124 167 W HN -0.031 nan 8.180 nan 0.000 0.694 168 G N 1.581 109.972 108.800 -0.682 0.000 2.679 168 G HA2 -0.130 3.810 3.960 -0.034 0.000 0.212 168 G HA3 -0.130 3.810 3.960 -0.034 0.000 0.212 168 G C 1.249 175.940 174.900 -0.348 0.000 1.137 168 G CA 1.183 45.915 45.100 -0.613 0.000 0.787 168 G HN 0.468 nan 8.290 nan 0.000 0.534 169 V N -2.978 116.733 119.914 -0.339 0.000 3.380 169 V HA 0.170 4.269 4.120 -0.034 0.000 0.268 169 V C 1.688 177.606 176.094 -0.293 0.000 1.168 169 V CA 0.247 62.372 62.300 -0.292 0.000 1.156 169 V CB -0.987 30.629 31.823 -0.345 0.000 0.785 169 V HN 0.240 nan 8.190 nan 0.000 0.487 170 Y N 2.215 122.519 120.300 0.008 0.000 2.926 170 Y HA 0.572 5.102 4.550 -0.034 0.000 0.207 170 Y C 2.687 178.586 175.900 -0.001 0.000 0.927 170 Y CA 1.039 59.163 58.100 0.040 0.000 1.055 170 Y CB -1.187 37.318 38.460 0.076 0.000 1.056 170 Y HN 0.075 nan 8.280 nan 0.000 0.462 171 G N 0.002 108.904 108.800 0.170 0.000 2.440 171 G HA2 -0.226 3.714 3.960 -0.034 0.000 0.218 171 G HA3 -0.226 3.714 3.960 -0.034 0.000 0.218 171 G C 1.554 176.392 174.900 -0.104 0.000 1.154 171 G CA 0.914 46.067 45.100 0.089 0.000 0.767 171 G HN 0.293 nan 8.290 nan 0.000 0.552 172 R N -0.487 119.721 120.500 -0.488 0.000 2.235 172 R HA 0.017 4.336 4.340 -0.034 0.000 0.213 172 R C 1.164 177.435 176.300 -0.049 0.000 1.059 172 R CA 0.499 56.285 56.100 -0.522 0.000 0.997 172 R CB -0.164 29.704 30.300 -0.721 0.000 0.884 172 R HN 0.355 nan 8.270 nan 0.000 0.462 173 N N -0.523 118.167 118.700 -0.017 0.000 2.735 173 N HA -0.252 4.468 4.740 -0.034 0.000 0.248 173 N C -1.473 174.068 175.510 0.051 0.000 1.083 173 N CA 0.507 53.578 53.050 0.035 0.000 0.703 173 N CB -1.105 37.431 38.487 0.081 0.000 1.005 173 N HN 0.224 nan 8.380 nan 0.000 0.550 174 F N 0.856 120.731 119.950 -0.124 0.000 2.382 174 F HA 0.477 4.984 4.527 -0.034 0.000 0.361 174 F C 0.605 176.419 175.800 0.023 0.000 1.109 174 F CA -0.026 57.928 58.000 -0.077 0.000 1.031 174 F CB 0.688 39.592 39.000 -0.161 0.000 1.234 174 F HN 0.131 nan 8.300 nan 0.000 0.445 175 T N 1.245 115.712 114.554 -0.145 0.000 2.949 175 T HA 0.351 4.681 4.350 -0.034 0.000 0.287 175 T C 0.973 175.640 174.700 -0.056 0.000 1.034 175 T CA -0.758 61.366 62.100 0.039 0.000 1.018 175 T CB 1.519 70.338 68.868 -0.081 0.000 1.135 175 T HN 0.228 nan 8.240 nan 0.000 0.532 176 V N 1.769 121.577 119.914 -0.177 0.000 2.490 176 V HA -0.154 3.945 4.120 -0.034 0.000 0.250 176 V C 2.553 178.494 176.094 -0.254 0.000 1.061 176 V CA 2.245 64.307 62.300 -0.397 0.000 1.064 176 V CB -0.935 30.604 31.823 -0.474 0.000 0.670 176 V HN 1.046 nan 8.190 nan 0.000 0.461 177 D N 0.093 120.365 120.400 -0.214 0.000 2.350 177 D HA -0.208 4.412 4.640 -0.034 0.000 0.216 177 D C 1.638 177.817 176.300 -0.202 0.000 0.968 177 D CA 0.807 54.701 54.000 -0.176 0.000 0.894 177 D CB -0.155 40.557 40.800 -0.146 0.000 0.909 177 D HN 0.419 nan 8.370 nan 0.000 0.520 178 K N 0.122 120.319 120.400 -0.339 0.000 2.393 178 K HA 0.203 4.503 4.320 -0.034 0.000 0.193 178 K C 0.821 177.283 176.600 -0.230 0.000 1.026 178 K CA -0.159 55.856 56.287 -0.452 0.000 1.064 178 K CB 0.678 32.534 32.500 -1.072 0.000 0.833 178 K HN 0.191 nan 8.250 nan 0.000 0.521 179 I N 3.926 124.446 120.570 -0.084 0.000 2.588 179 I HA 0.011 4.160 4.170 -0.034 0.000 0.283 179 I C -1.858 174.291 176.117 0.052 0.000 1.119 179 I CA -1.784 59.590 61.300 0.124 0.000 1.419 179 I CB 0.589 38.624 38.000 0.058 0.000 1.394 179 I HN -0.140 nan 8.210 nan 0.000 0.562 180 P HA 0.138 nan 4.420 nan 0.000 0.225 180 P C 0.341 177.633 177.300 -0.013 0.000 1.813 180 P CA -0.119 63.010 63.100 0.049 0.000 1.013 180 P CB 0.585 32.336 31.700 0.085 0.000 1.961 181 A N 2.835 125.602 122.820 -0.088 0.000 2.015 181 A HA -0.191 4.109 4.320 -0.034 0.000 0.219 181 A C 2.170 179.498 177.584 -0.426 0.000 1.163 181 A CA 1.103 52.995 52.037 -0.242 0.000 0.646 181 A CB -0.725 18.099 19.000 -0.292 0.000 0.806 181 A HN 0.484 nan 8.150 nan 0.000 0.448 182 Q N -0.728 118.870 119.800 -0.336 0.000 2.364 182 Q HA -0.098 4.222 4.340 -0.034 0.000 0.207 182 Q C 0.235 176.197 176.000 -0.063 0.000 0.970 182 Q CA 1.308 56.983 55.803 -0.212 0.000 0.888 182 Q CB -0.366 28.387 28.738 0.026 0.000 0.951 182 Q HN 0.471 nan 8.270 nan 0.000 0.469 183 N N 0.396 119.082 118.700 -0.023 0.000 2.276 183 N HA 0.299 5.019 4.740 -0.034 0.000 0.212 183 N C -0.763 174.754 175.510 0.011 0.000 1.127 183 N CA 0.207 53.285 53.050 0.046 0.000 0.834 183 N CB 0.544 39.087 38.487 0.093 0.000 1.014 183 N HN 0.218 nan 8.380 nan 0.000 0.491 184 L N -0.835 120.373 121.223 -0.026 0.000 2.354 184 L HA 0.387 4.707 4.340 -0.034 0.000 0.264 184 L C 1.393 178.261 176.870 -0.003 0.000 1.008 184 L CA -0.500 54.338 54.840 -0.003 0.000 0.819 184 L CB 2.163 44.213 42.059 -0.016 0.000 1.339 184 L HN -0.058 nan 8.230 nan 0.000 0.420 185 T N -3.777 110.815 114.554 0.062 0.000 3.040 185 T HA 0.150 4.480 4.350 -0.034 0.000 0.252 185 T C 0.336 174.988 174.700 -0.079 0.000 1.064 185 T CA 0.477 62.605 62.100 0.048 0.000 1.110 185 T CB -0.025 68.957 68.868 0.191 0.000 0.921 185 T HN 0.516 nan 8.240 nan 0.000 0.480 186 H N -0.078 118.996 119.070 0.007 0.000 2.759 186 H HA 0.705 5.240 4.556 -0.034 0.000 0.354 186 H C -1.663 173.646 175.328 -0.032 0.000 1.074 186 H CA -0.890 55.165 56.048 0.011 0.000 1.226 186 H CB 1.871 31.656 29.762 0.038 0.000 1.648 186 H HN 0.137 nan 8.280 nan 0.000 0.529 187 L N 4.253 125.511 121.223 0.059 0.000 2.349 187 L HA 0.484 4.803 4.340 -0.034 0.000 0.278 187 L C -1.663 175.225 176.870 0.030 0.000 0.996 187 L CA -0.370 54.484 54.840 0.023 0.000 0.825 187 L CB 0.808 42.878 42.059 0.019 0.000 1.243 187 L HN 0.565 nan 8.230 nan 0.000 0.412 188 L N 5.104 126.260 121.223 -0.111 0.000 2.317 188 L HA 0.405 4.724 4.340 -0.034 0.000 0.281 188 L C -1.210 175.689 176.870 0.047 0.000 1.024 188 L CA -0.800 53.936 54.840 -0.172 0.000 0.810 188 L CB 1.492 43.039 42.059 -0.853 0.000 1.240 188 L HN 0.571 nan 8.230 nan 0.000 0.427 189 Y N 1.886 122.241 120.300 0.090 0.000 2.385 189 Y HA 0.584 5.114 4.550 -0.033 0.000 0.341 189 Y C 0.360 176.311 175.900 0.084 0.000 0.965 189 Y CA -0.636 57.579 58.100 0.191 0.000 1.180 189 Y CB 1.504 40.189 38.460 0.375 0.000 1.139 189 Y HN 0.536 nan 8.280 nan 0.000 0.502 190 G N 6.059 114.571 108.800 -0.480 0.000 2.370 190 G HA2 0.562 4.501 3.960 -0.034 0.000 0.317 190 G HA3 0.562 4.501 3.960 -0.034 0.000 0.317 190 G C -1.799 172.769 174.900 -0.553 0.000 1.162 190 G CA -0.312 44.193 45.100 -0.993 0.000 0.922 190 G HN 0.480 nan 8.290 nan 0.000 0.454 191 F N 1.336 121.446 119.950 0.266 0.000 2.619 191 F HA 0.436 4.943 4.527 -0.034 0.000 0.308 191 F C -0.284 175.724 175.800 0.348 0.000 1.097 191 F CA -1.178 57.032 58.000 0.350 0.000 0.953 191 F CB 2.089 41.318 39.000 0.382 0.000 1.287 191 F HN 0.160 nan 8.300 nan 0.000 0.446 192 I N 4.894 125.746 120.570 0.470 0.000 2.325 192 I HA 0.270 4.420 4.170 -0.034 0.000 0.291 192 I C -2.265 173.932 176.117 0.133 0.000 1.019 192 I CA -2.562 58.876 61.300 0.230 0.000 1.302 192 I CB 0.719 38.687 38.000 -0.054 0.000 1.401 192 I HN 0.220 nan 8.210 nan 0.000 0.485 193 P HA 0.427 nan 4.420 nan 0.000 0.282 193 P C -0.630 176.581 177.300 -0.148 0.000 1.259 193 P CA -0.551 62.493 63.100 -0.094 0.000 0.826 193 P CB 1.720 33.284 31.700 -0.226 0.000 1.064 194 I N 1.376 121.811 120.570 -0.225 0.000 2.336 194 I HA 0.195 4.344 4.170 -0.034 0.000 0.292 194 I C 0.647 176.582 176.117 -0.304 0.000 0.991 194 I CA -0.745 60.414 61.300 -0.234 0.000 1.227 194 I CB 0.775 38.558 38.000 -0.361 0.000 1.366 194 I HN 0.257 nan 8.210 nan 0.000 0.466 195 c N 5.021 123.468 118.600 -0.256 0.000 2.634 195 c HA 0.506 5.056 4.570 -0.034 0.000 0.417 195 c C 0.909 174.732 174.090 -0.444 0.000 1.334 195 c CA 0.161 56.316 56.329 -0.290 0.000 1.829 195 c CB -1.017 41.382 42.510 -0.185 0.000 2.665 195 c HN 1.028 nan 8.230 nan 0.000 0.614 196 G N 2.080 110.638 108.800 -0.403 0.000 2.378 196 G HA2 0.511 4.450 3.960 -0.034 0.000 0.302 196 G HA3 0.511 4.450 3.960 -0.034 0.000 0.302 196 G C -0.395 174.320 174.900 -0.309 0.000 1.669 196 G CA -0.011 44.827 45.100 -0.438 0.000 0.920 196 G HN 1.050 nan 8.290 nan 0.000 0.697 197 G N 0.290 108.974 108.800 -0.195 0.000 3.182 197 G HA2 0.446 4.386 3.960 -0.034 0.000 0.167 197 G HA3 0.446 4.386 3.960 -0.034 0.000 0.167 197 G C 0.157 175.200 174.900 0.239 0.000 1.537 197 G CA -0.556 44.551 45.100 0.012 0.000 1.046 197 G HN 0.693 nan 8.290 nan 0.000 0.580 198 N N 0.803 119.651 118.700 0.248 0.000 2.412 198 N HA 0.276 4.995 4.740 -0.034 0.000 0.258 198 N C 1.222 176.742 175.510 0.017 0.000 1.236 198 N CA 1.330 54.440 53.050 0.101 0.000 0.882 198 N CB 0.904 39.413 38.487 0.037 0.000 1.066 198 N HN 1.035 nan 8.380 nan 0.000 0.465 199 G N 1.512 110.317 108.800 0.009 0.000 2.205 199 G HA2 -0.283 3.657 3.960 -0.034 0.000 0.261 199 G HA3 -0.283 3.657 3.960 -0.034 0.000 0.261 199 G C 0.839 175.754 174.900 0.026 0.000 0.980 199 G CA 0.444 45.563 45.100 0.031 0.000 0.632 199 G HN 0.568 nan 8.290 nan 0.000 0.533 200 I N -0.569 119.959 120.570 -0.070 0.000 3.300 200 I HA 0.211 4.361 4.170 -0.034 0.000 0.279 200 I C 1.126 177.218 176.117 -0.043 0.000 1.172 200 I CA 0.365 61.553 61.300 -0.187 0.000 1.431 200 I CB 0.168 37.896 38.000 -0.454 0.000 1.240 200 I HN 0.041 nan 8.210 nan 0.000 0.453 201 N N 0.893 119.610 118.700 0.028 0.000 2.553 201 N HA 0.080 4.800 4.740 -0.034 0.000 0.298 201 N C -0.069 175.543 175.510 0.170 0.000 1.596 201 N CA 0.075 53.165 53.050 0.066 0.000 0.910 201 N CB 0.557 39.038 38.487 -0.011 0.000 1.336 201 N HN 0.114 nan 8.380 nan 0.000 0.497 202 D N 0.106 120.546 120.400 0.067 0.000 2.218 202 D HA -0.061 4.559 4.640 -0.034 0.000 0.204 202 D C 1.452 177.723 176.300 -0.048 0.000 0.976 202 D CA 1.025 54.994 54.000 -0.051 0.000 0.853 202 D CB 0.221 40.976 40.800 -0.076 0.000 0.939 202 D HN 0.096 nan 8.370 nan 0.000 0.481 203 S N 0.318 115.999 115.700 -0.031 0.000 2.440 203 S HA -0.069 4.380 4.470 -0.034 0.000 0.238 203 S C 2.052 176.649 174.600 -0.006 0.000 1.010 203 S CA 0.340 58.506 58.200 -0.057 0.000 0.972 203 S CB -0.090 63.033 63.200 -0.129 0.000 0.774 203 S HN 0.324 nan 8.310 nan 0.000 0.501 204 L N 0.778 122.038 121.223 0.062 0.000 2.275 204 L HA -0.031 4.289 4.340 -0.034 0.000 0.215 204 L C 2.025 178.964 176.870 0.115 0.000 1.119 204 L CA 0.945 55.860 54.840 0.124 0.000 0.790 204 L CB -0.366 41.830 42.059 0.228 0.000 0.919 204 L HN 0.237 nan 8.230 nan 0.000 0.443 205 K N -0.219 120.197 120.400 0.026 0.000 2.442 205 K HA -0.102 4.198 4.320 -0.034 0.000 0.198 205 K C 1.583 178.170 176.600 -0.023 0.000 1.042 205 K CA 0.482 56.737 56.287 -0.054 0.000 0.958 205 K CB 0.092 32.446 32.500 -0.243 0.000 0.766 205 K HN 0.217 nan 8.250 nan 0.000 0.474 206 E N 0.436 120.635 120.200 -0.000 0.000 2.358 206 E HA -0.004 4.325 4.350 -0.034 0.000 0.195 206 E C 0.397 177.014 176.600 0.027 0.000 1.010 206 E CA 0.631 57.041 56.400 0.016 0.000 0.856 206 E CB 0.151 29.872 29.700 0.036 0.000 0.795 206 E HN 0.337 nan 8.360 nan 0.000 0.504 207 I N 2.043 122.632 120.570 0.031 0.000 2.330 207 I HA 0.095 4.245 4.170 -0.034 0.000 0.289 207 I C 0.255 176.386 176.117 0.024 0.000 1.001 207 I CA -0.953 60.358 61.300 0.018 0.000 1.193 207 I CB 1.242 39.240 38.000 -0.003 0.000 1.345 207 I HN -0.247 nan 8.210 nan 0.000 0.461 208 E N 4.958 125.165 120.200 0.011 0.000 2.729 208 E HA 0.053 4.383 4.350 -0.034 0.000 0.246 208 E C 1.235 177.844 176.600 0.015 0.000 0.984 208 E CA 1.529 57.937 56.400 0.013 0.000 0.951 208 E CB 0.088 29.790 29.700 0.003 0.000 0.914 208 E HN 0.803 nan 8.360 nan 0.000 0.509 209 G N 3.167 111.991 108.800 0.040 0.000 2.220 209 G HA2 -0.406 3.534 3.960 -0.034 0.000 0.269 209 G HA3 -0.406 3.534 3.960 -0.034 0.000 0.269 209 G C 1.262 176.206 174.900 0.074 0.000 0.977 209 G CA 0.919 46.047 45.100 0.047 0.000 0.634 209 G HN 0.602 nan 8.290 nan 0.000 0.539 210 S N -0.865 114.891 115.700 0.093 0.000 2.357 210 S HA 0.067 4.517 4.470 -0.034 0.000 0.221 210 S C 1.964 176.731 174.600 0.278 0.000 1.031 210 S CA 1.704 59.993 58.200 0.148 0.000 0.982 210 S CB -0.284 62.995 63.200 0.132 0.000 0.853 210 S HN 0.813 nan 8.310 nan 0.000 0.458 211 F N 2.135 122.132 119.950 0.077 0.000 2.126 211 F HA -0.143 4.363 4.527 -0.034 0.000 0.299 211 F C 2.231 178.055 175.800 0.040 0.000 1.096 211 F CA 1.975 59.997 58.000 0.038 0.000 1.255 211 F CB -0.469 38.530 39.000 -0.001 0.000 0.997 211 F HN 0.245 nan 8.300 nan 0.000 0.479 212 Q N 0.383 120.279 119.800 0.160 0.000 2.167 212 Q HA -0.024 4.296 4.340 -0.034 0.000 0.202 212 Q C 2.356 178.359 176.000 0.005 0.000 0.970 212 Q CA 1.458 57.296 55.803 0.060 0.000 0.855 212 Q CB -0.660 28.145 28.738 0.113 0.000 0.911 212 Q HN 0.503 nan 8.270 nan 0.000 0.438 213 A N 0.367 123.223 122.820 0.059 0.000 1.898 213 A HA -0.123 4.176 4.320 -0.034 0.000 0.216 213 A C 1.976 179.622 177.584 0.104 0.000 1.181 213 A CA 1.096 53.185 52.037 0.088 0.000 0.620 213 A CB -0.576 18.481 19.000 0.094 0.000 0.819 213 A HN 0.366 nan 8.150 nan 0.000 0.442 214 L N -0.465 120.797 121.223 0.064 0.000 2.093 214 L HA -0.153 4.166 4.340 -0.034 0.000 0.208 214 L C 2.336 179.094 176.870 -0.187 0.000 1.085 214 L CA 1.888 56.662 54.840 -0.109 0.000 0.755 214 L CB -0.507 41.337 42.059 -0.359 0.000 0.904 214 L HN 0.345 nan 8.230 nan 0.000 0.435 215 Q N -0.432 119.196 119.800 -0.286 0.000 2.119 215 Q HA -0.219 4.101 4.340 -0.034 0.000 0.201 215 Q C 2.359 178.300 176.000 -0.097 0.000 0.972 215 Q CA 1.512 57.167 55.803 -0.247 0.000 0.847 215 Q CB -0.525 28.032 28.738 -0.300 0.000 0.903 215 Q HN 0.546 nan 8.270 nan 0.000 0.433 216 R N 0.432 120.905 120.500 -0.044 0.000 2.073 216 R HA -0.072 4.248 4.340 -0.034 0.000 0.234 216 R C 2.357 178.683 176.300 0.043 0.000 1.134 216 R CA 1.523 57.630 56.100 0.011 0.000 0.952 216 R CB 0.018 30.337 30.300 0.033 0.000 0.850 216 R HN 0.113 nan 8.270 nan 0.000 0.433 217 S N -0.361 115.374 115.700 0.059 0.000 2.383 217 S HA -0.147 4.302 4.470 -0.034 0.000 0.229 217 S C 1.605 176.268 174.600 0.105 0.000 1.030 217 S CA 1.188 59.455 58.200 0.111 0.000 1.002 217 S CB -0.073 63.197 63.200 0.116 0.000 0.829 217 S HN 0.490 nan 8.310 nan 0.000 0.467 218 c N 1.920 120.534 118.600 0.025 0.000 2.524 218 c HA 0.267 4.817 4.570 -0.034 0.000 0.301 218 c C 0.967 175.065 174.090 0.012 0.000 1.296 218 c CA -0.803 55.533 56.329 0.011 0.000 1.683 218 c CB -1.988 40.474 42.510 -0.081 0.000 1.764 218 c HN 0.571 nan 8.230 nan 0.000 0.597 219 Q N 0.594 120.411 119.800 0.028 0.000 2.289 219 Q HA 0.373 4.693 4.340 -0.034 0.000 0.273 219 Q C 1.253 177.273 176.000 0.034 0.000 1.029 219 Q CA 1.257 57.072 55.803 0.020 0.000 0.896 219 Q CB 0.220 28.973 28.738 0.025 0.000 1.182 219 Q HN 0.614 nan 8.270 nan 0.000 0.385 220 G N 3.524 112.337 108.800 0.021 0.000 2.162 220 G HA2 -0.338 3.602 3.960 -0.034 0.000 0.260 220 G HA3 -0.338 3.602 3.960 -0.034 0.000 0.260 220 G C 0.014 174.935 174.900 0.035 0.000 0.976 220 G CA 0.433 45.548 45.100 0.026 0.000 0.655 220 G HN 0.640 nan 8.290 nan 0.000 0.533 221 R N 0.743 121.264 120.500 0.036 0.000 2.514 221 R HA 0.497 4.816 4.340 -0.034 0.000 0.301 221 R C 0.184 176.497 176.300 0.021 0.000 0.962 221 R CA -0.711 55.420 56.100 0.052 0.000 0.882 221 R CB 0.769 31.124 30.300 0.091 0.000 1.143 221 R HN 0.345 nan 8.270 nan 0.000 0.452 222 E N 2.130 122.350 120.200 0.034 0.000 2.415 222 E HA -0.044 4.286 4.350 -0.034 0.000 0.262 222 E C -0.571 176.025 176.600 -0.008 0.000 1.038 222 E CA 0.166 56.582 56.400 0.027 0.000 0.921 222 E CB 0.601 30.335 29.700 0.057 0.000 0.950 222 E HN 0.477 nan 8.360 nan 0.000 0.438 223 D N 1.185 121.559 120.400 -0.044 0.000 2.382 223 D HA -0.000 4.619 4.640 -0.034 0.000 0.240 223 D C 0.389 176.645 176.300 -0.073 0.000 1.146 223 D CA 0.305 54.175 54.000 -0.216 0.000 0.897 223 D CB 0.296 40.877 40.800 -0.366 0.000 1.197 223 D HN 0.449 nan 8.370 nan 0.000 0.432 224 F N -1.991 117.913 119.950 -0.077 0.000 2.656 224 F HA -0.262 4.245 4.527 -0.034 0.000 0.381 224 F C 0.787 176.627 175.800 0.067 0.000 0.603 224 F CA 0.624 58.597 58.000 -0.044 0.000 1.335 224 F CB -1.459 37.516 39.000 -0.042 0.000 1.836 224 F HN 0.183 nan 8.300 nan 0.000 0.290 225 K N 1.268 121.739 120.400 0.118 0.000 2.144 225 K HA 0.613 4.912 4.320 -0.034 0.000 0.270 225 K C 0.418 177.054 176.600 0.060 0.000 1.005 225 K CA -0.352 56.005 56.287 0.115 0.000 0.932 225 K CB 1.872 34.433 32.500 0.101 0.000 1.021 225 K HN 0.056 nan 8.250 nan 0.000 0.462 226 V N -0.817 119.124 119.914 0.045 0.000 3.051 226 V HA 0.330 4.430 4.120 -0.034 0.000 0.306 226 V C 0.282 176.319 176.094 -0.095 0.000 1.083 226 V CA -0.201 62.067 62.300 -0.054 0.000 1.104 226 V CB 1.430 33.135 31.823 -0.197 0.000 1.027 226 V HN 0.784 nan 8.190 nan 0.000 0.483 227 S N 1.752 117.328 115.700 -0.207 0.000 2.998 227 S HA 0.731 5.181 4.470 -0.034 0.000 0.321 227 S C -0.960 173.446 174.600 -0.324 0.000 1.171 227 S CA -0.899 57.043 58.200 -0.429 0.000 0.882 227 S CB 1.395 64.465 63.200 -0.217 0.000 1.301 227 S HN 0.763 nan 8.310 nan 0.000 0.629 228 I N 1.620 122.025 120.570 -0.276 0.000 2.433 228 I HA 0.371 4.521 4.170 -0.034 0.000 0.292 228 I C 0.993 177.205 176.117 0.158 0.000 1.001 228 I CA -0.421 60.899 61.300 0.034 0.000 1.119 228 I CB 1.842 39.873 38.000 0.051 0.000 1.289 228 I HN 0.863 nan 8.210 nan 0.000 0.438 229 H N 3.532 122.679 119.070 0.130 0.000 2.333 229 H HA -0.036 4.499 4.556 -0.034 0.000 0.302 229 H C 0.163 175.582 175.328 0.152 0.000 1.075 229 H CA 0.739 56.863 56.048 0.127 0.000 1.348 229 H CB 0.636 30.502 29.762 0.172 0.000 1.393 229 H HN 0.524 nan 8.280 nan 0.000 0.509 230 D N -0.653 119.919 120.400 0.287 0.000 2.438 230 D HA 0.138 4.758 4.640 -0.034 0.000 0.257 230 D C -2.085 174.347 176.300 0.221 0.000 1.148 230 D CA -2.460 51.680 54.000 0.234 0.000 0.902 230 D CB 1.463 42.419 40.800 0.260 0.000 1.062 230 D HN 0.092 nan 8.370 nan 0.000 0.518 231 P HA -0.072 nan 4.420 nan 0.000 0.218 231 P C 1.259 178.662 177.300 0.171 0.000 1.149 231 P CA 0.516 63.714 63.100 0.163 0.000 0.817 231 P CB 0.092 31.921 31.700 0.214 0.000 0.785 232 F N 0.955 120.976 119.950 0.118 0.000 2.084 232 F HA -0.104 4.403 4.527 -0.034 0.000 0.296 232 F C 2.232 178.101 175.800 0.114 0.000 1.111 232 F CA 1.580 59.654 58.000 0.124 0.000 1.224 232 F CB -0.983 38.112 39.000 0.158 0.000 0.991 232 F HN -0.141 nan 8.300 nan 0.000 0.471 233 A N 0.355 123.247 122.820 0.120 0.000 1.908 233 A HA -0.078 4.222 4.320 -0.034 0.000 0.218 233 A C 2.361 179.899 177.584 -0.076 0.000 1.181 233 A CA 1.937 53.942 52.037 -0.053 0.000 0.627 233 A CB -1.579 17.471 19.000 0.083 0.000 0.818 233 A HN 0.517 nan 8.150 nan 0.000 0.445 234 A N -1.602 121.191 122.820 -0.045 0.000 1.968 234 A HA 0.278 4.578 4.320 -0.034 0.000 0.217 234 A C 1.895 179.264 177.584 -0.359 0.000 1.169 234 A CA 1.475 53.374 52.037 -0.230 0.000 0.638 234 A CB -0.186 18.497 19.000 -0.528 0.000 0.812 234 A HN 0.466 nan 8.150 nan 0.000 0.446 235 L N -2.679 118.399 121.223 -0.242 0.000 3.227 235 L HA 0.132 4.451 4.340 -0.034 0.000 0.287 235 L C 1.757 178.580 176.870 -0.078 0.000 1.161 235 L CA 0.168 54.923 54.840 -0.141 0.000 1.048 235 L CB 0.417 42.437 42.059 -0.065 0.000 1.541 235 L HN 0.206 nan 8.230 nan 0.000 0.590 236 Q N -0.256 119.431 119.800 -0.188 0.000 2.288 236 Q HA 0.135 4.454 4.340 -0.034 0.000 0.256 236 Q C 0.450 176.219 176.000 -0.385 0.000 0.835 236 Q CA -0.017 55.691 55.803 -0.158 0.000 0.958 236 Q CB 1.173 29.950 28.738 0.066 0.000 1.125 236 Q HN 0.166 nan 8.270 nan 0.000 0.513 237 K N 1.924 121.826 120.400 -0.831 0.000 2.447 237 K HA 0.241 4.541 4.320 -0.034 0.000 0.281 237 K C -0.373 176.066 176.600 -0.268 0.000 1.031 237 K CA -0.056 55.772 56.287 -0.765 0.000 1.019 237 K CB 0.585 32.575 32.500 -0.850 0.000 0.918 237 K HN 0.024 nan 8.250 nan 0.000 0.476 238 A N 4.855 127.614 122.820 -0.102 0.000 2.546 238 A HA 0.055 4.355 4.320 -0.034 0.000 0.243 238 A C -0.455 177.092 177.584 -0.060 0.000 1.063 238 A CA 0.207 52.218 52.037 -0.042 0.000 0.757 238 A CB 0.299 19.311 19.000 0.020 0.000 0.991 238 A HN 0.745 nan 8.150 nan 0.000 0.503 239 Q N 0.750 120.510 119.800 -0.066 0.000 2.553 239 Q HA 0.306 4.626 4.340 -0.034 0.000 0.293 239 Q C -0.779 175.180 176.000 -0.068 0.000 1.038 239 Q CA -0.976 54.784 55.803 -0.072 0.000 0.777 239 Q CB 1.589 30.270 28.738 -0.096 0.000 1.487 239 Q HN 0.820 nan 8.270 nan 0.000 0.426 240 K N 0.010 120.366 120.400 -0.073 0.000 2.491 240 K HA 0.120 4.419 4.320 -0.034 0.000 0.279 240 K C 0.813 177.364 176.600 -0.082 0.000 1.026 240 K CA 1.634 57.879 56.287 -0.071 0.000 1.070 240 K CB -0.297 32.157 32.500 -0.078 0.000 0.887 240 K HN 0.815 nan 8.250 nan 0.000 0.481 241 G N 1.993 110.750 108.800 -0.072 0.000 2.217 241 G HA2 -0.275 3.664 3.960 -0.034 0.000 0.246 241 G HA3 -0.275 3.664 3.960 -0.034 0.000 0.246 241 G C 0.034 174.887 174.900 -0.078 0.000 0.990 241 G CA 0.190 45.242 45.100 -0.080 0.000 0.627 241 G HN 1.005 nan 8.290 nan 0.000 0.522 242 V N -1.443 118.430 119.914 -0.069 0.000 2.502 242 V HA 0.726 4.826 4.120 -0.034 0.000 0.261 242 V C 0.797 176.864 176.094 -0.044 0.000 0.996 242 V CA 0.865 63.129 62.300 -0.059 0.000 1.095 242 V CB -0.151 31.639 31.823 -0.055 0.000 1.325 242 V HN 0.893 nan 8.190 nan 0.000 0.574 243 T N -2.059 112.474 114.554 -0.034 0.000 3.001 243 T HA 0.525 4.855 4.350 -0.034 0.000 0.251 243 T C 0.918 175.626 174.700 0.013 0.000 1.040 243 T CA 0.662 62.757 62.100 -0.008 0.000 0.985 243 T CB 0.590 69.458 68.868 -0.001 0.000 1.011 243 T HN 1.171 nan 8.240 nan 0.000 0.509 244 A N 2.421 125.228 122.820 -0.021 0.000 2.407 244 A HA 0.448 4.748 4.320 -0.034 0.000 0.248 244 A C 1.317 178.884 177.584 -0.029 0.000 1.082 244 A CA -0.457 51.566 52.037 -0.024 0.000 0.785 244 A CB -0.078 18.857 19.000 -0.109 0.000 1.020 244 A HN 0.645 nan 8.150 nan 0.000 0.489 245 W N 2.084 123.370 121.300 -0.024 0.000 2.374 245 W HA -0.149 4.491 4.660 -0.034 0.000 0.288 245 W C -0.079 176.418 176.519 -0.036 0.000 1.218 245 W CA 1.510 58.843 57.345 -0.020 0.000 1.245 245 W CB -0.560 28.891 29.460 -0.016 0.000 1.126 245 W HN 0.736 nan 8.180 nan 0.000 0.545 246 D N 0.102 119.872 120.400 -1.049 0.000 2.342 246 D HA -0.003 4.617 4.640 -0.034 0.000 0.221 246 D C -0.454 175.501 176.300 -0.576 0.000 1.101 246 D CA -0.163 53.164 54.000 -1.122 0.000 0.837 246 D CB -0.838 38.830 40.800 -1.886 0.000 0.938 246 D HN -0.176 nan 8.370 nan 0.000 0.508 247 D N 2.383 122.563 120.400 -0.366 0.000 2.371 247 D HA 0.045 4.665 4.640 -0.034 0.000 0.256 247 D C -1.105 175.039 176.300 -0.260 0.000 1.193 247 D CA -1.461 52.392 54.000 -0.245 0.000 0.881 247 D CB 1.684 42.404 40.800 -0.133 0.000 1.143 247 D HN 0.078 nan 8.370 nan 0.000 0.473 248 P HA -0.113 nan 4.420 nan 0.000 0.217 248 P C -0.288 176.766 177.300 -0.410 0.000 1.151 248 P CA 0.944 63.716 63.100 -0.547 0.000 0.828 248 P CB 0.195 31.313 31.700 -0.970 0.000 0.788 249 Y N 0.224 120.571 120.300 0.078 0.000 2.388 249 Y HA 0.433 4.962 4.550 -0.034 0.000 0.328 249 Y C 1.111 177.026 175.900 0.025 0.000 0.963 249 Y CA -1.024 57.137 58.100 0.102 0.000 1.240 249 Y CB 1.019 39.591 38.460 0.186 0.000 1.118 249 Y HN -0.197 nan 8.280 nan 0.000 0.484 250 K N 1.035 121.490 120.400 0.092 0.000 2.096 250 K HA 0.772 5.072 4.320 -0.034 0.000 0.263 250 K C 0.708 177.275 176.600 -0.055 0.000 1.013 250 K CA -0.609 55.674 56.287 -0.007 0.000 1.218 250 K CB 0.329 32.803 32.500 -0.043 0.000 1.961 250 K HN 0.714 nan 8.250 nan 0.000 0.851 251 G N 1.115 109.841 108.800 -0.124 0.000 2.591 251 G HA2 -0.317 3.622 3.960 -0.034 0.000 0.278 251 G HA3 -0.317 3.622 3.960 -0.034 0.000 0.278 251 G C 0.350 175.197 174.900 -0.087 0.000 1.293 251 G CA 0.518 45.530 45.100 -0.148 0.000 0.930 251 G HN 0.604 nan 8.290 nan 0.000 0.562 252 N N -0.559 118.132 118.700 -0.015 0.000 2.142 252 N HA -0.033 4.687 4.740 -0.034 0.000 0.186 252 N C 2.102 177.589 175.510 -0.039 0.000 1.023 252 N CA 1.827 54.905 53.050 0.047 0.000 0.852 252 N CB -0.371 38.339 38.487 0.371 0.000 0.998 252 N HN 0.400 nan 8.380 nan 0.000 0.424 253 F N 1.231 120.961 119.950 -0.366 0.000 2.146 253 F HA 0.053 4.560 4.527 -0.034 0.000 0.298 253 F C 2.579 177.987 175.800 -0.654 0.000 1.096 253 F CA 0.719 58.341 58.000 -0.630 0.000 1.275 253 F CB -1.251 37.436 39.000 -0.523 0.000 1.008 253 F HN 0.060 nan 8.300 nan 0.000 0.480 254 G N -0.879 107.850 108.800 -0.117 0.000 2.418 254 G HA2 -0.213 3.726 3.960 -0.034 0.000 0.217 254 G HA3 -0.213 3.726 3.960 -0.034 0.000 0.217 254 G C 1.559 176.322 174.900 -0.229 0.000 1.158 254 G CA 0.439 45.487 45.100 -0.087 0.000 0.771 254 G HN 0.345 nan 8.290 nan 0.000 0.545 255 Q N -0.308 119.347 119.800 -0.242 0.000 2.119 255 Q HA 0.063 4.383 4.340 -0.034 0.000 0.201 255 Q C 2.641 178.425 176.000 -0.359 0.000 0.972 255 Q CA 0.697 56.343 55.803 -0.261 0.000 0.847 255 Q CB -0.199 28.401 28.738 -0.230 0.000 0.903 255 Q HN 0.446 nan 8.270 nan 0.000 0.433 256 L N -0.125 120.783 121.223 -0.525 0.000 2.093 256 L HA -0.175 4.145 4.340 -0.034 0.000 0.208 256 L C 2.412 178.859 176.870 -0.705 0.000 1.085 256 L CA 0.939 55.391 54.840 -0.646 0.000 0.755 256 L CB -0.306 41.258 42.059 -0.826 0.000 0.904 256 L HN 0.284 nan 8.230 nan 0.000 0.435 257 M N -0.597 118.484 119.600 -0.864 0.000 2.117 257 M HA -0.207 4.253 4.480 -0.034 0.000 0.262 257 M C 2.492 178.617 176.300 -0.292 0.000 1.065 257 M CA 2.001 56.990 55.300 -0.518 0.000 1.114 257 M CB -0.520 31.859 32.600 -0.369 0.000 1.361 257 M HN 0.321 nan 8.290 nan 0.000 0.408 258 A N -0.108 122.543 122.820 -0.282 0.000 1.969 258 A HA -0.102 4.198 4.320 -0.034 0.000 0.218 258 A C 2.066 179.543 177.584 -0.178 0.000 1.169 258 A CA 1.078 52.985 52.037 -0.216 0.000 0.635 258 A CB -0.657 18.223 19.000 -0.201 0.000 0.810 258 A HN 0.410 nan 8.150 nan 0.000 0.445 259 L N -0.520 120.594 121.223 -0.182 0.000 2.083 259 L HA -0.099 4.221 4.340 -0.034 0.000 0.209 259 L C 2.108 178.948 176.870 -0.049 0.000 1.083 259 L CA 1.764 56.547 54.840 -0.095 0.000 0.752 259 L CB -0.274 41.715 42.059 -0.117 0.000 0.899 259 L HN 0.118 nan 8.230 nan 0.000 0.433 260 K N -0.644 119.701 120.400 -0.092 0.000 2.148 260 K HA -0.090 4.210 4.320 -0.034 0.000 0.204 260 K C 2.042 178.603 176.600 -0.064 0.000 1.050 260 K CA 0.805 57.064 56.287 -0.046 0.000 0.942 260 K CB -0.184 32.294 32.500 -0.036 0.000 0.724 260 K HN 0.435 nan 8.250 nan 0.000 0.446 261 Q N -0.148 119.591 119.800 -0.103 0.000 2.167 261 Q HA -0.008 4.311 4.340 -0.034 0.000 0.202 261 Q C 1.972 177.884 176.000 -0.147 0.000 0.970 261 Q CA 1.234 56.969 55.803 -0.112 0.000 0.855 261 Q CB -0.155 28.506 28.738 -0.129 0.000 0.911 261 Q HN 0.264 nan 8.270 nan 0.000 0.438 262 A N 0.273 122.974 122.820 -0.199 0.000 1.970 262 A HA -0.072 4.228 4.320 -0.034 0.000 0.216 262 A C 0.603 177.847 177.584 -0.566 0.000 1.170 262 A CA 0.748 52.560 52.037 -0.374 0.000 0.645 262 A CB 0.005 18.752 19.000 -0.422 0.000 0.816 262 A HN 0.258 nan 8.150 nan 0.000 0.447 263 H N -1.239 117.793 119.070 -0.062 0.000 2.448 263 H HA 0.225 4.761 4.556 -0.034 0.000 0.237 263 H C -2.291 173.006 175.328 -0.051 0.000 1.391 263 H CA -1.570 54.447 56.048 -0.051 0.000 1.477 263 H CB 0.820 30.552 29.762 -0.050 0.000 1.520 263 H HN 0.261 nan 8.280 nan 0.000 0.502 264 P HA -0.064 nan 4.420 nan 0.000 0.223 264 P C 0.781 178.081 177.300 -0.001 0.000 1.151 264 P CA 0.955 64.053 63.100 -0.003 0.000 0.787 264 P CB 0.624 32.310 31.700 -0.022 0.000 0.788 265 D N -1.164 119.246 120.400 0.016 0.000 2.349 265 D HA 0.063 4.683 4.640 -0.034 0.000 0.214 265 D C 0.678 176.961 176.300 -0.029 0.000 1.063 265 D CA -0.151 53.845 54.000 -0.006 0.000 0.847 265 D CB -0.080 40.725 40.800 0.008 0.000 0.933 265 D HN 0.123 nan 8.370 nan 0.000 0.513 266 L N 1.748 122.966 121.223 -0.010 0.000 2.455 266 L HA 0.085 4.405 4.340 -0.034 0.000 0.272 266 L C -0.057 176.757 176.870 -0.095 0.000 1.174 266 L CA 0.038 54.842 54.840 -0.061 0.000 0.869 266 L CB 0.427 42.465 42.059 -0.035 0.000 1.130 266 L HN -0.362 nan 8.230 nan 0.000 0.474 267 K N 7.197 127.475 120.400 -0.202 0.000 2.262 267 K HA 0.420 4.719 4.320 -0.034 0.000 0.282 267 K C -0.685 175.890 176.600 -0.042 0.000 1.066 267 K CA 0.031 56.211 56.287 -0.178 0.000 0.901 267 K CB 0.739 32.980 32.500 -0.433 0.000 1.089 267 K HN 0.589 nan 8.250 nan 0.000 0.476 268 I N 5.159 125.767 120.570 0.062 0.000 2.330 268 I HA 0.288 4.438 4.170 -0.034 0.000 0.289 268 I C -0.237 176.079 176.117 0.331 0.000 1.001 268 I CA -0.675 60.726 61.300 0.167 0.000 1.193 268 I CB 0.761 38.845 38.000 0.140 0.000 1.345 268 I HN 0.222 nan 8.210 nan 0.000 0.461 269 L N 8.424 129.830 121.223 0.305 0.000 2.322 269 L HA 0.528 4.848 4.340 -0.034 0.000 0.281 269 L C -2.371 174.593 176.870 0.157 0.000 1.014 269 L CA -2.014 52.978 54.840 0.253 0.000 0.815 269 L CB 2.056 44.253 42.059 0.229 0.000 1.247 269 L HN 0.293 nan 8.230 nan 0.000 0.421 270 P HA 0.118 nan 4.420 nan 0.000 0.276 270 P C -0.841 176.481 177.300 0.036 0.000 1.243 270 P CA -0.250 62.658 63.100 -0.320 0.000 0.768 270 P CB 1.222 32.380 31.700 -0.903 0.000 0.856 271 S N 3.632 119.472 115.700 0.234 0.000 2.442 271 S HA 0.480 4.930 4.470 -0.034 0.000 0.297 271 S C 0.338 175.262 174.600 0.539 0.000 1.131 271 S CA -0.573 57.874 58.200 0.412 0.000 1.092 271 S CB 0.230 63.773 63.200 0.573 0.000 0.998 271 S HN 0.313 nan 8.310 nan 0.000 0.478 272 I N 3.308 124.161 120.570 0.471 0.000 2.339 272 I HA 0.631 4.780 4.170 -0.034 0.000 0.290 272 I C 0.921 177.318 176.117 0.468 0.000 0.994 272 I CA 0.009 61.562 61.300 0.422 0.000 1.191 272 I CB 0.969 39.207 38.000 0.397 0.000 1.343 272 I HN 0.904 nan 8.210 nan 0.000 0.458 273 G N 4.164 113.112 108.800 0.246 0.000 2.541 273 G HA2 0.310 4.250 3.960 -0.034 0.000 0.208 273 G HA3 0.310 4.250 3.960 -0.034 0.000 0.208 273 G C 0.090 174.629 174.900 -0.601 0.000 1.191 273 G CA 0.020 45.156 45.100 0.059 0.000 1.217 273 G HN 1.462 nan 8.290 nan 0.000 0.566 274 G N -1.713 106.762 108.800 -0.541 0.000 2.660 274 G HA2 -0.082 3.857 3.960 -0.034 0.000 0.215 274 G HA3 -0.082 3.857 3.960 -0.034 0.000 0.215 274 G C 0.939 175.650 174.900 -0.315 0.000 1.345 274 G CA 0.662 45.310 45.100 -0.753 0.000 0.877 274 G HN 1.840 nan 8.290 nan 0.000 0.549 275 W N 0.374 121.444 121.300 -0.382 0.000 2.358 275 W HA -0.131 4.509 4.660 -0.033 0.000 0.303 275 W C 2.439 178.862 176.519 -0.161 0.000 1.208 275 W CA 3.089 60.291 57.345 -0.237 0.000 1.274 275 W CB -0.257 29.098 29.460 -0.175 0.000 1.138 275 W HN 0.936 nan 8.180 nan 0.000 0.515 276 T N -2.260 112.247 114.554 -0.078 0.000 3.054 276 T HA 0.190 4.520 4.350 -0.034 0.000 0.255 276 T C 1.153 175.786 174.700 -0.112 0.000 1.035 276 T CA -0.064 61.970 62.100 -0.111 0.000 0.941 276 T CB -0.368 68.502 68.868 0.003 0.000 1.026 276 T HN 0.080 nan 8.240 nan 0.000 0.533 277 L N 0.766 121.899 121.223 -0.151 0.000 3.066 277 L HA 0.425 4.745 4.340 -0.034 0.000 0.265 277 L C 1.579 178.349 176.870 -0.167 0.000 1.232 277 L CA -0.154 54.593 54.840 -0.155 0.000 1.031 277 L CB 0.457 42.434 42.059 -0.136 0.000 1.379 277 L HN 0.145 nan 8.230 nan 0.000 0.563 278 S N -0.554 115.088 115.700 -0.097 0.000 2.524 278 S HA -0.044 4.406 4.470 -0.034 0.000 0.216 278 S C 1.160 175.784 174.600 0.039 0.000 0.987 278 S CA 0.147 58.370 58.200 0.038 0.000 0.909 278 S CB 0.092 63.370 63.200 0.131 0.000 0.781 278 S HN 0.389 nan 8.310 nan 0.000 0.521 279 D N 2.306 122.749 120.400 0.072 0.000 2.158 279 D HA -0.073 4.547 4.640 -0.034 0.000 0.197 279 D C -0.934 175.538 176.300 0.286 0.000 0.995 279 D CA 1.173 55.340 54.000 0.278 0.000 0.846 279 D CB -1.503 39.395 40.800 0.164 0.000 0.941 279 D HN 0.328 nan 8.370 nan 0.000 0.456 280 P HA -0.081 nan 4.420 nan 0.000 0.220 280 P C 1.136 178.392 177.300 -0.073 0.000 1.148 280 P CA 0.715 63.847 63.100 0.053 0.000 0.803 280 P CB -0.123 31.371 31.700 -0.342 0.000 0.782 281 F N -1.989 117.632 119.950 -0.547 0.000 2.216 281 F HA -0.100 4.406 4.527 -0.034 0.000 0.300 281 F C 1.812 176.958 175.800 -1.091 0.000 1.085 281 F CA 1.072 58.343 58.000 -1.215 0.000 1.326 281 F CB -1.518 36.031 39.000 -2.417 0.000 1.027 281 F HN -0.134 nan 8.300 nan 0.000 0.497 282 F N -1.653 118.096 119.950 -0.334 0.000 2.583 282 F HA -0.116 4.390 4.527 -0.034 0.000 0.297 282 F C 1.528 177.052 175.800 -0.460 0.000 1.131 282 F CA 0.833 58.683 58.000 -0.249 0.000 1.467 282 F CB -1.050 37.774 39.000 -0.293 0.000 1.097 282 F HN -0.079 nan 8.300 nan 0.000 0.586 283 F N -1.737 118.221 119.950 0.013 0.000 2.695 283 F HA 0.164 4.671 4.527 -0.034 0.000 0.303 283 F C 1.770 177.430 175.800 -0.234 0.000 1.091 283 F CA 0.168 58.118 58.000 -0.083 0.000 1.300 283 F CB -0.483 38.455 39.000 -0.103 0.000 1.071 283 F HN -0.120 nan 8.300 nan 0.000 0.578 284 M N -0.159 119.367 119.600 -0.124 0.000 2.628 284 M HA 0.105 4.564 4.480 -0.034 0.000 0.232 284 M C 2.186 178.449 176.300 -0.062 0.000 1.128 284 M CA 0.381 55.587 55.300 -0.156 0.000 1.040 284 M CB -0.442 32.042 32.600 -0.194 0.000 1.608 284 M HN 0.253 nan 8.290 nan 0.000 0.507 285 G N 0.215 109.003 108.800 -0.019 0.000 2.470 285 G HA2 -0.177 3.763 3.960 -0.034 0.000 0.220 285 G HA3 -0.177 3.763 3.960 -0.034 0.000 0.220 285 G C 0.389 175.282 174.900 -0.011 0.000 1.121 285 G CA 0.308 45.415 45.100 0.011 0.000 0.766 285 G HN 0.364 nan 8.290 nan 0.000 0.553 286 D N 0.138 120.513 120.400 -0.041 0.000 2.338 286 D HA 0.103 4.723 4.640 -0.034 0.000 0.255 286 D C 1.394 177.656 176.300 -0.063 0.000 1.237 286 D CA -0.261 53.707 54.000 -0.053 0.000 0.883 286 D CB 0.911 41.663 40.800 -0.081 0.000 1.087 286 D HN 0.171 nan 8.370 nan 0.000 0.485 287 K N 2.802 123.184 120.400 -0.031 0.000 2.280 287 K HA -0.083 4.216 4.320 -0.034 0.000 0.202 287 K C 1.506 178.091 176.600 -0.025 0.000 1.047 287 K CA 0.571 56.847 56.287 -0.019 0.000 0.942 287 K CB 0.254 32.753 32.500 -0.002 0.000 0.739 287 K HN 0.323 nan 8.250 nan 0.000 0.457 288 V N 1.629 121.521 119.914 -0.037 0.000 2.287 288 V HA -0.283 3.817 4.120 -0.034 0.000 0.248 288 V C 2.070 178.134 176.094 -0.051 0.000 1.053 288 V CA 1.938 64.219 62.300 -0.032 0.000 1.027 288 V CB -0.351 31.454 31.823 -0.031 0.000 0.646 288 V HN 0.368 nan 8.190 nan 0.000 0.447 289 K N -0.350 119.967 120.400 -0.139 0.000 2.057 289 K HA -0.151 4.148 4.320 -0.034 0.000 0.206 289 K C 2.400 178.944 176.600 -0.094 0.000 1.050 289 K CA 1.284 57.422 56.287 -0.248 0.000 0.935 289 K CB -0.217 31.857 32.500 -0.710 0.000 0.715 289 K HN 0.281 nan 8.250 nan 0.000 0.439 290 R N 1.159 121.622 120.500 -0.061 0.000 2.092 290 R HA -0.131 4.189 4.340 -0.034 0.000 0.231 290 R C 1.391 177.764 176.300 0.122 0.000 1.119 290 R CA 1.657 57.790 56.100 0.055 0.000 0.970 290 R CB 0.048 30.365 30.300 0.029 0.000 0.864 290 R HN 0.111 nan 8.270 nan 0.000 0.440 291 D N -0.237 120.198 120.400 0.059 0.000 2.144 291 D HA -0.164 4.455 4.640 -0.034 0.000 0.200 291 D C 1.810 178.147 176.300 0.062 0.000 0.978 291 D CA 0.912 54.943 54.000 0.051 0.000 0.833 291 D CB -0.154 40.662 40.800 0.026 0.000 0.961 291 D HN 0.234 nan 8.370 nan 0.000 0.470 292 R N -0.411 120.138 120.500 0.081 0.000 2.075 292 R HA -0.135 4.184 4.340 -0.034 0.000 0.232 292 R C 2.231 178.613 176.300 0.136 0.000 1.126 292 R CA 0.756 56.915 56.100 0.098 0.000 0.963 292 R CB -0.419 29.951 30.300 0.117 0.000 0.858 292 R HN 0.135 nan 8.270 nan 0.000 0.435 293 F N 0.988 120.961 119.950 0.040 0.000 2.069 293 F HA -0.199 4.308 4.527 -0.034 0.000 0.298 293 F C 1.926 177.740 175.800 0.023 0.000 1.113 293 F CA 1.597 59.618 58.000 0.035 0.000 1.214 293 F CB -0.614 38.402 39.000 0.027 0.000 0.978 293 F HN -0.199 nan 8.300 nan 0.000 0.474 294 V N 0.710 120.551 119.914 -0.122 0.000 2.332 294 V HA -0.256 3.844 4.120 -0.034 0.000 0.248 294 V C 2.787 178.771 176.094 -0.183 0.000 1.055 294 V CA 1.973 64.136 62.300 -0.228 0.000 1.038 294 V CB -1.755 30.049 31.823 -0.032 0.000 0.651 294 V HN 0.582 nan 8.190 nan 0.000 0.450 295 G N 0.059 108.808 108.800 -0.085 0.000 2.422 295 G HA2 -0.289 3.651 3.960 -0.034 0.000 0.218 295 G HA3 -0.289 3.651 3.960 -0.034 0.000 0.218 295 G C 1.869 176.737 174.900 -0.054 0.000 1.146 295 G CA 1.393 46.462 45.100 -0.052 0.000 0.769 295 G HN 0.655 nan 8.290 nan 0.000 0.547 296 S N 0.038 115.695 115.700 -0.072 0.000 2.406 296 S HA -0.037 4.412 4.470 -0.034 0.000 0.228 296 S C 2.279 176.848 174.600 -0.052 0.000 1.020 296 S CA 1.270 59.456 58.200 -0.024 0.000 0.965 296 S CB -0.256 62.950 63.200 0.010 0.000 0.798 296 S HN 0.098 nan 8.310 nan 0.000 0.488 297 V N 2.325 122.092 119.914 -0.244 0.000 2.307 297 V HA -0.136 3.964 4.120 -0.034 0.000 0.245 297 V C 2.777 178.843 176.094 -0.045 0.000 1.045 297 V CA 2.124 64.296 62.300 -0.214 0.000 1.024 297 V CB -0.807 30.760 31.823 -0.426 0.000 0.651 297 V HN 0.553 nan 8.190 nan 0.000 0.449 298 K N 0.171 120.519 120.400 -0.088 0.000 2.044 298 K HA -0.293 4.006 4.320 -0.034 0.000 0.210 298 K C 2.280 178.874 176.600 -0.011 0.000 1.049 298 K CA 2.250 58.496 56.287 -0.069 0.000 0.927 298 K CB -0.215 32.237 32.500 -0.080 0.000 0.713 298 K HN 0.593 nan 8.250 nan 0.000 0.443 299 E N -0.418 119.797 120.200 0.025 0.000 2.110 299 E HA -0.219 4.110 4.350 -0.034 0.000 0.193 299 E C 1.907 178.569 176.600 0.104 0.000 0.988 299 E CA 1.076 57.505 56.400 0.048 0.000 0.804 299 E CB -0.198 29.545 29.700 0.071 0.000 0.745 299 E HN 0.376 nan 8.360 nan 0.000 0.458 300 F N 1.097 121.078 119.950 0.052 0.000 2.134 300 F HA -0.142 4.365 4.527 -0.034 0.000 0.299 300 F C 1.940 177.837 175.800 0.162 0.000 1.097 300 F CA 1.353 59.461 58.000 0.179 0.000 1.264 300 F CB -0.005 39.099 39.000 0.173 0.000 1.001 300 F HN 0.004 nan 8.300 nan 0.000 0.479 301 L N -0.420 120.939 121.223 0.226 0.000 2.240 301 L HA -0.146 4.174 4.340 -0.034 0.000 0.211 301 L C 2.239 179.119 176.870 0.016 0.000 1.106 301 L CA 0.852 55.769 54.840 0.129 0.000 0.793 301 L CB -0.660 41.426 42.059 0.046 0.000 0.927 301 L HN 0.218 nan 8.230 nan 0.000 0.446 302 Q N -0.778 119.000 119.800 -0.036 0.000 2.230 302 Q HA -0.118 4.202 4.340 -0.034 0.000 0.202 302 Q C 2.033 177.939 176.000 -0.157 0.000 0.963 302 Q CA 1.619 57.380 55.803 -0.069 0.000 0.866 302 Q CB 0.018 28.717 28.738 -0.065 0.000 0.931 302 Q HN 0.440 nan 8.270 nan 0.000 0.452 303 T N -0.680 113.706 114.554 -0.279 0.000 2.894 303 T HA -0.067 4.263 4.350 -0.034 0.000 0.258 303 T C -0.160 174.084 174.700 -0.759 0.000 1.043 303 T CA 0.692 62.430 62.100 -0.604 0.000 1.141 303 T CB -0.018 68.358 68.868 -0.819 0.000 0.873 303 T HN 0.302 nan 8.240 nan 0.000 0.449 304 W N 2.342 123.498 121.300 -0.241 0.000 2.351 304 W HA 0.468 5.108 4.660 -0.033 0.000 0.320 304 W C 0.826 177.136 176.519 -0.348 0.000 0.947 304 W CA -0.981 56.166 57.345 -0.329 0.000 1.565 304 W CB 0.451 29.590 29.460 -0.535 0.000 1.409 304 W HN -0.014 nan 8.180 nan 0.000 0.399 305 K N 1.131 121.531 120.400 -0.001 0.000 2.432 305 K HA -0.088 4.212 4.320 -0.034 0.000 0.196 305 K C 1.549 178.153 176.600 0.006 0.000 1.038 305 K CA 0.809 57.109 56.287 0.022 0.000 0.986 305 K CB -0.079 32.448 32.500 0.045 0.000 0.782 305 K HN 0.544 nan 8.250 nan 0.000 0.485 306 F N -0.501 119.390 119.950 -0.099 0.000 2.502 306 F HA 0.130 4.637 4.527 -0.034 0.000 0.298 306 F C 0.331 176.014 175.800 -0.196 0.000 1.111 306 F CA -0.328 57.549 58.000 -0.206 0.000 1.445 306 F CB -0.402 38.382 39.000 -0.360 0.000 1.081 306 F HN -0.291 nan 8.300 nan 0.000 0.558 307 F N 2.147 121.725 119.950 -0.620 0.000 2.399 307 F HA 0.218 4.724 4.527 -0.034 0.000 0.342 307 F C 1.039 176.814 175.800 -0.042 0.000 1.106 307 F CA -0.947 56.843 58.000 -0.350 0.000 1.196 307 F CB 0.429 39.204 39.000 -0.375 0.000 1.163 307 F HN -0.003 nan 8.300 nan 0.000 0.547 308 D N 1.606 122.152 120.400 0.243 0.000 2.462 308 D HA 0.345 4.965 4.640 -0.034 0.000 0.221 308 D C 0.907 177.372 176.300 0.275 0.000 1.173 308 D CA 0.401 54.463 54.000 0.103 0.000 0.831 308 D CB 0.634 41.441 40.800 0.011 0.000 1.001 308 D HN 0.732 nan 8.370 nan 0.000 0.499 309 G N -0.295 108.754 108.800 0.414 0.000 2.347 309 G HA2 0.176 4.115 3.960 -0.034 0.000 0.224 309 G HA3 0.176 4.115 3.960 -0.034 0.000 0.224 309 G C -1.892 173.122 174.900 0.190 0.000 1.318 309 G CA -0.152 45.171 45.100 0.371 0.000 1.016 309 G HN 0.148 nan 8.290 nan 0.000 0.469 310 V N 0.319 120.325 119.914 0.154 0.000 2.932 310 V HA 0.696 4.796 4.120 -0.034 0.000 0.307 310 V C -1.865 174.330 176.094 0.168 0.000 1.147 310 V CA -0.157 62.207 62.300 0.106 0.000 0.951 310 V CB 2.084 33.938 31.823 0.052 0.000 1.031 310 V HN 1.122 nan 8.190 nan 0.000 0.426 311 D N 5.055 125.576 120.400 0.202 0.000 2.278 311 D HA 0.498 5.117 4.640 -0.034 0.000 0.245 311 D C -0.859 175.624 176.300 0.304 0.000 1.052 311 D CA -0.393 53.774 54.000 0.278 0.000 0.834 311 D CB 1.314 42.308 40.800 0.324 0.000 1.194 311 D HN 0.383 nan 8.370 nan 0.000 0.481 312 I N 3.632 124.368 120.570 0.276 0.000 2.328 312 I HA 0.190 4.340 4.170 -0.034 0.000 0.287 312 I C -0.210 176.055 176.117 0.247 0.000 1.012 312 I CA -0.481 60.965 61.300 0.244 0.000 1.195 312 I CB 1.176 39.237 38.000 0.101 0.000 1.350 312 I HN 0.469 nan 8.210 nan 0.000 0.464 313 D N 7.298 127.874 120.400 0.292 0.000 2.736 313 D HA 0.043 4.662 4.640 -0.034 0.000 0.293 313 D C -0.611 175.783 176.300 0.156 0.000 1.241 313 D CA -0.372 53.794 54.000 0.276 0.000 0.965 313 D CB 0.255 41.293 40.800 0.397 0.000 0.992 313 D HN 0.316 nan 8.370 nan 0.000 0.510 314 W N 2.895 124.033 121.300 -0.269 0.000 2.437 314 W HA 0.312 4.952 4.660 -0.034 0.000 0.312 314 W C -0.658 175.697 176.519 -0.273 0.000 1.242 314 W CA -0.869 56.193 57.345 -0.472 0.000 1.340 314 W CB 0.154 29.082 29.460 -0.887 0.000 1.327 314 W HN 0.197 nan 8.180 nan 0.000 0.476 315 E N 6.753 126.939 120.200 -0.022 0.000 2.121 315 E HA 0.322 4.652 4.350 -0.034 0.000 0.255 315 E C -1.385 174.933 176.600 -0.470 0.000 0.906 315 E CA -0.359 55.522 56.400 -0.866 0.000 0.745 315 E CB 0.714 29.821 29.700 -0.988 0.000 1.155 315 E HN 0.140 nan 8.360 nan 0.000 0.424 316 F N 1.331 121.394 119.950 0.189 0.000 2.631 316 F HA 0.337 4.844 4.527 -0.034 0.000 0.308 316 F C -2.415 173.066 175.800 -0.532 0.000 1.097 316 F CA -2.925 54.939 58.000 -0.225 0.000 0.952 316 F CB 1.312 40.249 39.000 -0.105 0.000 1.307 316 F HN 0.146 nan 8.300 nan 0.000 0.450 317 P HA 0.169 nan 4.420 nan 0.000 0.260 317 P C 0.698 177.861 177.300 -0.230 0.000 1.172 317 P CA 1.525 64.046 63.100 -0.966 0.000 0.760 317 P CB 0.283 31.312 31.700 -1.119 0.000 0.773 318 G N 2.128 110.957 108.800 0.049 0.000 2.213 318 G HA2 0.060 3.999 3.960 -0.034 0.000 0.236 318 G HA3 0.060 3.999 3.960 -0.034 0.000 0.236 318 G C 0.535 175.536 174.900 0.169 0.000 0.991 318 G CA 0.071 45.225 45.100 0.091 0.000 0.629 318 G HN 1.014 nan 8.290 nan 0.000 0.517 319 G N -0.083 108.922 108.800 0.341 0.000 2.587 319 G HA2 0.257 4.197 3.960 -0.034 0.000 0.212 319 G HA3 0.257 4.197 3.960 -0.034 0.000 0.212 319 G C 0.405 175.442 174.900 0.228 0.000 1.327 319 G CA 0.633 45.844 45.100 0.186 0.000 0.898 319 G HN 1.484 nan 8.290 nan 0.000 0.551 320 K N -1.550 118.921 120.400 0.119 0.000 3.281 320 K HA -0.163 4.137 4.320 -0.034 0.000 0.295 320 K C 1.162 177.936 176.600 0.290 0.000 1.233 320 K CA 1.522 57.908 56.287 0.164 0.000 0.866 320 K CB -1.761 30.826 32.500 0.146 0.000 1.265 320 K HN 1.653 nan 8.250 nan 0.000 0.482 321 G N 0.161 109.026 108.800 0.107 0.000 2.773 321 G HA2 0.525 4.464 3.960 -0.034 0.000 0.186 321 G HA3 0.525 4.464 3.960 -0.034 0.000 0.186 321 G C 1.103 175.544 174.900 -0.765 0.000 1.411 321 G CA 0.144 45.015 45.100 -0.382 0.000 1.054 321 G HN 0.170 nan 8.290 nan 0.000 0.579 322 A N -0.773 121.256 122.820 -1.319 0.000 1.969 322 A HA 0.052 4.352 4.320 -0.034 0.000 0.218 322 A C 1.411 178.783 177.584 -0.354 0.000 1.169 322 A CA 0.959 52.446 52.037 -0.918 0.000 0.635 322 A CB -0.405 17.934 19.000 -1.101 0.000 0.810 322 A HN 0.433 nan 8.150 nan 0.000 0.445 323 N N 0.190 118.696 118.700 -0.323 0.000 2.422 323 N HA 0.229 4.948 4.740 -0.034 0.000 0.266 323 N C -2.174 173.217 175.510 -0.198 0.000 1.007 323 N CA -1.833 51.088 53.050 -0.215 0.000 0.941 323 N CB 1.609 39.965 38.487 -0.219 0.000 1.115 323 N HN 0.047 nan 8.380 nan 0.000 0.492 324 P HA 0.073 nan 4.420 nan 0.000 0.241 324 P C -0.037 177.193 177.300 -0.117 0.000 1.191 324 P CA 0.615 63.657 63.100 -0.096 0.000 0.771 324 P CB 0.581 32.254 31.700 -0.047 0.000 0.929 325 N N -0.514 118.097 118.700 -0.148 0.000 2.205 325 N HA 0.177 4.897 4.740 -0.034 0.000 0.201 325 N C 0.438 175.818 175.510 -0.216 0.000 1.128 325 N CA 0.150 53.117 53.050 -0.138 0.000 0.867 325 N CB 0.928 39.360 38.487 -0.092 0.000 0.996 325 N HN 0.250 nan 8.380 nan 0.000 0.503 326 L N -0.360 120.640 121.223 -0.371 0.000 2.322 326 L HA 0.761 5.081 4.340 -0.034 0.000 0.269 326 L C 0.377 176.859 176.870 -0.647 0.000 1.012 326 L CA -0.841 53.617 54.840 -0.636 0.000 0.815 326 L CB 2.041 43.398 42.059 -1.169 0.000 1.295 326 L HN 0.028 nan 8.230 nan 0.000 0.438 327 G N 0.710 109.197 108.800 -0.521 0.000 2.801 327 G HA2 0.276 4.216 3.960 -0.034 0.000 0.648 327 G HA3 0.276 4.216 3.960 -0.034 0.000 0.648 327 G C -1.018 173.897 174.900 0.025 0.000 1.415 327 G CA -0.232 44.832 45.100 -0.061 0.000 0.887 327 G HN 0.867 nan 8.290 nan 0.000 0.627 328 S N 1.962 117.740 115.700 0.131 0.000 2.579 328 S HA 0.869 5.319 4.470 -0.034 0.000 0.272 328 S C -2.318 172.320 174.600 0.064 0.000 1.141 328 S CA -1.094 57.148 58.200 0.070 0.000 0.843 328 S CB 2.788 66.029 63.200 0.069 0.000 1.122 328 S HN 0.306 nan 8.310 nan 0.000 0.468 329 P HA 0.010 nan 4.420 nan 0.000 0.230 329 P C 1.058 178.366 177.300 0.013 0.000 1.158 329 P CA 0.778 63.885 63.100 0.010 0.000 0.769 329 P CB 0.061 31.762 31.700 0.001 0.000 0.807 330 Q N -0.281 119.541 119.800 0.037 0.000 2.451 330 Q HA -0.086 4.234 4.340 -0.034 0.000 0.206 330 Q C 0.886 176.932 176.000 0.076 0.000 0.947 330 Q CA 0.577 56.408 55.803 0.047 0.000 0.937 330 Q CB -0.193 28.577 28.738 0.053 0.000 1.025 330 Q HN 0.116 nan 8.270 nan 0.000 0.511 331 D N 0.031 120.484 120.400 0.087 0.000 2.144 331 D HA -0.106 4.514 4.640 -0.034 0.000 0.200 331 D C 1.673 177.962 176.300 -0.018 0.000 0.978 331 D CA 1.289 55.365 54.000 0.126 0.000 0.833 331 D CB -0.435 40.408 40.800 0.072 0.000 0.961 331 D HN 0.470 nan 8.370 nan 0.000 0.470 332 G N 0.911 109.651 108.800 -0.102 0.000 2.476 332 G HA2 -0.347 3.593 3.960 -0.034 0.000 0.218 332 G HA3 -0.347 3.593 3.960 -0.034 0.000 0.218 332 G C 1.454 176.338 174.900 -0.027 0.000 1.164 332 G CA 1.046 46.059 45.100 -0.145 0.000 0.768 332 G HN 0.357 nan 8.290 nan 0.000 0.560 333 E N -0.289 119.917 120.200 0.010 0.000 2.077 333 E HA -0.127 4.203 4.350 -0.034 0.000 0.193 333 E C 2.579 179.230 176.600 0.084 0.000 0.989 333 E CA 1.502 57.923 56.400 0.035 0.000 0.800 333 E CB -0.185 29.531 29.700 0.028 0.000 0.746 333 E HN 0.376 nan 8.360 nan 0.000 0.452 334 T N 0.164 114.798 114.554 0.134 0.000 2.708 334 T HA -0.209 4.121 4.350 -0.034 0.000 0.266 334 T C 1.471 176.328 174.700 0.261 0.000 1.037 334 T CA 1.516 63.731 62.100 0.193 0.000 1.146 334 T CB -0.585 68.451 68.868 0.279 0.000 0.865 334 T HN 0.346 nan 8.240 nan 0.000 0.435 335 Y N 1.798 122.207 120.300 0.182 0.000 2.128 335 Y HA -0.208 4.322 4.550 -0.034 0.000 0.284 335 Y C 2.332 178.255 175.900 0.038 0.000 1.154 335 Y CA 1.097 59.272 58.100 0.126 0.000 1.149 335 Y CB -0.616 37.748 38.460 -0.161 0.000 0.976 335 Y HN -0.024 nan 8.280 nan 0.000 0.505 336 V N 0.403 120.417 119.914 0.166 0.000 2.343 336 V HA -0.327 3.772 4.120 -0.034 0.000 0.247 336 V C 2.451 178.552 176.094 0.012 0.000 1.051 336 V CA 2.018 64.358 62.300 0.066 0.000 1.036 336 V CB -0.814 31.042 31.823 0.055 0.000 0.654 336 V HN 0.447 nan 8.190 nan 0.000 0.451 337 L N -0.773 120.469 121.223 0.032 0.000 2.042 337 L HA -0.208 4.112 4.340 -0.034 0.000 0.210 337 L C 2.476 179.355 176.870 0.016 0.000 1.076 337 L CA 1.383 56.238 54.840 0.026 0.000 0.749 337 L CB -0.648 41.434 42.059 0.038 0.000 0.893 337 L HN 0.341 nan 8.230 nan 0.000 0.432 338 L N -0.704 120.527 121.223 0.014 0.000 2.042 338 L HA -0.233 4.086 4.340 -0.034 0.000 0.210 338 L C 2.504 179.361 176.870 -0.022 0.000 1.076 338 L CA 1.866 56.718 54.840 0.020 0.000 0.749 338 L CB -0.386 41.688 42.059 0.025 0.000 0.893 338 L HN 0.168 nan 8.230 nan 0.000 0.432 339 M N -0.743 118.786 119.600 -0.118 0.000 2.132 339 M HA -0.185 4.275 4.480 -0.034 0.000 0.263 339 M C 2.244 178.524 176.300 -0.034 0.000 1.065 339 M CA 1.535 56.773 55.300 -0.103 0.000 1.122 339 M CB -1.128 31.383 32.600 -0.148 0.000 1.365 339 M HN 0.268 nan 8.290 nan 0.000 0.411 340 K N 0.345 120.733 120.400 -0.020 0.000 2.026 340 K HA -0.175 4.125 4.320 -0.034 0.000 0.208 340 K C 1.936 178.537 176.600 0.002 0.000 1.048 340 K CA 1.498 57.783 56.287 -0.003 0.000 0.929 340 K CB -0.113 32.389 32.500 0.003 0.000 0.713 340 K HN 0.460 nan 8.250 nan 0.000 0.439 341 E N 0.684 120.889 120.200 0.008 0.000 2.107 341 E HA -0.114 4.216 4.350 -0.034 0.000 0.191 341 E C 2.088 178.692 176.600 0.006 0.000 0.982 341 E CA 0.665 57.072 56.400 0.012 0.000 0.809 341 E CB 0.000 29.717 29.700 0.027 0.000 0.756 341 E HN 0.185 nan 8.360 nan 0.000 0.459 342 L N 0.560 121.791 121.223 0.012 0.000 2.046 342 L HA -0.173 4.146 4.340 -0.034 0.000 0.208 342 L C 2.657 179.522 176.870 -0.009 0.000 1.077 342 L CA 1.047 55.888 54.840 0.000 0.000 0.747 342 L CB -0.244 41.829 42.059 0.024 0.000 0.896 342 L HN 0.034 nan 8.230 nan 0.000 0.432 343 R N 0.588 121.088 120.500 -0.001 0.000 2.081 343 R HA -0.159 4.160 4.340 -0.034 0.000 0.235 343 R C 2.239 178.539 176.300 -0.001 0.000 1.131 343 R CA 1.622 57.724 56.100 0.003 0.000 0.960 343 R CB -0.521 29.782 30.300 0.004 0.000 0.856 343 R HN 0.314 nan 8.270 nan 0.000 0.436 344 A N 0.881 123.699 122.820 -0.004 0.000 1.883 344 A HA -0.213 4.087 4.320 -0.034 0.000 0.217 344 A C 2.247 179.820 177.584 -0.018 0.000 1.186 344 A CA 1.782 53.816 52.037 -0.006 0.000 0.624 344 A CB -0.707 18.291 19.000 -0.004 0.000 0.822 344 A HN 0.517 nan 8.150 nan 0.000 0.444 345 M N -0.322 119.260 119.600 -0.031 0.000 2.117 345 M HA -0.082 4.378 4.480 -0.034 0.000 0.262 345 M C 1.927 178.176 176.300 -0.085 0.000 1.065 345 M CA 1.748 57.014 55.300 -0.057 0.000 1.114 345 M CB -0.731 31.827 32.600 -0.070 0.000 1.361 345 M HN 0.428 nan 8.290 nan 0.000 0.408 346 L N -0.105 121.073 121.223 -0.075 0.000 2.109 346 L HA -0.195 4.125 4.340 -0.034 0.000 0.207 346 L C 2.017 178.872 176.870 -0.024 0.000 1.086 346 L CA 0.863 55.642 54.840 -0.101 0.000 0.760 346 L CB -0.825 41.222 42.059 -0.020 0.000 0.910 346 L HN 0.212 nan 8.230 nan 0.000 0.437 347 D N -0.322 120.082 120.400 0.006 0.000 2.117 347 D HA -0.225 4.395 4.640 -0.034 0.000 0.197 347 D C 2.143 178.454 176.300 0.018 0.000 0.987 347 D CA 1.064 55.081 54.000 0.029 0.000 0.829 347 D CB -0.027 40.785 40.800 0.021 0.000 0.961 347 D HN 0.190 nan 8.370 nan 0.000 0.460 348 Q N 0.359 120.154 119.800 -0.008 0.000 2.084 348 Q HA -0.096 4.223 4.340 -0.034 0.000 0.202 348 Q C 2.013 178.003 176.000 -0.018 0.000 0.978 348 Q CA 0.825 56.621 55.803 -0.012 0.000 0.844 348 Q CB -0.527 28.197 28.738 -0.022 0.000 0.898 348 Q HN 0.231 nan 8.270 nan 0.000 0.426 349 L N -0.170 121.011 121.223 -0.069 0.000 2.083 349 L HA -0.094 4.226 4.340 -0.034 0.000 0.209 349 L C 2.076 178.973 176.870 0.044 0.000 1.083 349 L CA 1.845 56.621 54.840 -0.106 0.000 0.752 349 L CB -0.766 41.076 42.059 -0.361 0.000 0.899 349 L HN 0.137 nan 8.230 nan 0.000 0.433 350 S N -0.900 114.877 115.700 0.128 0.000 2.368 350 S HA -0.155 4.295 4.470 -0.034 0.000 0.225 350 S C 1.880 176.563 174.600 0.138 0.000 1.030 350 S CA 1.573 59.930 58.200 0.261 0.000 0.999 350 S CB -0.504 62.829 63.200 0.222 0.000 0.844 350 S HN 0.531 nan 8.310 nan 0.000 0.459 351 V N 0.079 120.041 119.914 0.080 0.000 3.129 351 V HA 0.099 4.198 4.120 -0.034 0.000 0.259 351 V C 1.613 177.736 176.094 0.048 0.000 1.116 351 V CA 1.019 63.352 62.300 0.055 0.000 1.127 351 V CB -0.737 31.108 31.823 0.037 0.000 0.742 351 V HN 0.339 nan 8.190 nan 0.000 0.474 352 E N 1.849 122.078 120.200 0.048 0.000 2.152 352 E HA -0.105 4.225 4.350 -0.034 0.000 0.192 352 E C 2.252 178.886 176.600 0.057 0.000 0.983 352 E CA 1.758 58.182 56.400 0.039 0.000 0.818 352 E CB -0.166 29.547 29.700 0.023 0.000 0.758 352 E HN 0.870 nan 8.360 nan 0.000 0.467 353 T N -3.752 110.858 114.554 0.093 0.000 3.014 353 T HA 0.270 4.599 4.350 -0.034 0.000 0.250 353 T C 1.653 176.398 174.700 0.075 0.000 1.060 353 T CA 0.386 62.548 62.100 0.102 0.000 1.040 353 T CB 0.712 69.690 68.868 0.184 0.000 0.971 353 T HN 0.254 nan 8.240 nan 0.000 0.497 354 G N 1.838 110.679 108.800 0.069 0.000 2.184 354 G HA2 -0.283 3.657 3.960 -0.034 0.000 0.264 354 G HA3 -0.283 3.657 3.960 -0.034 0.000 0.264 354 G C 0.199 175.116 174.900 0.028 0.000 0.975 354 G CA 0.207 45.333 45.100 0.043 0.000 0.642 354 G HN 0.700 nan 8.290 nan 0.000 0.536 355 R N -0.174 120.346 120.500 0.034 0.000 2.573 355 R HA 0.590 4.910 4.340 -0.034 0.000 0.272 355 R C -0.105 176.159 176.300 -0.060 0.000 1.009 355 R CA -0.787 55.273 56.100 -0.067 0.000 1.059 355 R CB 0.648 30.816 30.300 -0.219 0.000 1.112 355 R HN -0.076 nan 8.270 nan 0.000 0.517 356 K N 2.057 122.376 120.400 -0.134 0.000 2.201 356 K HA 0.249 4.549 4.320 -0.034 0.000 0.278 356 K C -0.976 175.491 176.600 -0.222 0.000 1.027 356 K CA -0.201 56.043 56.287 -0.071 0.000 0.909 356 K CB 0.935 33.419 32.500 -0.027 0.000 1.062 356 K HN 0.431 nan 8.250 nan 0.000 0.465 357 Y N 0.664 120.989 120.300 0.041 0.000 2.409 357 Y HA 0.259 4.789 4.550 -0.034 0.000 0.339 357 Y C 0.594 176.530 175.900 0.059 0.000 1.033 357 Y CA -0.546 57.585 58.100 0.053 0.000 1.094 357 Y CB 1.779 40.266 38.460 0.044 0.000 1.210 357 Y HN 0.436 nan 8.280 nan 0.000 0.456 358 E N 2.562 122.906 120.200 0.240 0.000 2.195 358 E HA 0.442 4.772 4.350 -0.034 0.000 0.271 358 E C -1.636 175.072 176.600 0.182 0.000 0.923 358 E CA -1.112 55.403 56.400 0.191 0.000 0.790 358 E CB 2.459 32.306 29.700 0.244 0.000 1.155 358 E HN 0.317 nan 8.360 nan 0.000 0.402 359 L N 2.712 124.004 121.223 0.114 0.000 2.319 359 L HA 0.397 4.717 4.340 -0.034 0.000 0.281 359 L C -0.557 176.351 176.870 0.064 0.000 1.005 359 L CA 0.001 54.896 54.840 0.092 0.000 0.828 359 L CB 1.400 43.490 42.059 0.051 0.000 1.227 359 L HN 0.656 nan 8.230 nan 0.000 0.415 360 T N 0.790 115.414 114.554 0.116 0.000 2.888 360 T HA 0.845 5.174 4.350 -0.034 0.000 0.288 360 T C -0.519 174.265 174.700 0.141 0.000 1.063 360 T CA -0.788 61.351 62.100 0.065 0.000 1.010 360 T CB 1.703 70.644 68.868 0.121 0.000 1.214 360 T HN 0.614 nan 8.240 nan 0.000 0.533 361 S N -0.578 115.195 115.700 0.121 0.000 2.543 361 S HA 0.674 5.124 4.470 -0.034 0.000 0.271 361 S C -1.063 173.708 174.600 0.285 0.000 1.148 361 S CA -0.540 57.809 58.200 0.248 0.000 0.914 361 S CB 1.056 64.426 63.200 0.283 0.000 1.096 361 S HN 1.312 nan 8.310 nan 0.000 0.471 362 A N 4.138 127.179 122.820 0.368 0.000 2.301 362 A HA 0.783 5.083 4.320 -0.034 0.000 0.298 362 A C -0.051 177.694 177.584 0.269 0.000 1.185 362 A CA -0.677 51.558 52.037 0.330 0.000 0.830 362 A CB -0.190 19.057 19.000 0.411 0.000 1.112 362 A HN 1.173 nan 8.150 nan 0.000 0.508 363 I N -0.070 120.616 120.570 0.194 0.000 2.828 363 I HA 0.677 4.827 4.170 -0.034 0.000 0.302 363 I C 0.076 176.264 176.117 0.117 0.000 1.101 363 I CA -0.715 60.675 61.300 0.149 0.000 1.031 363 I CB 2.043 40.036 38.000 -0.011 0.000 1.231 363 I HN 0.469 nan 8.210 nan 0.000 0.427 364 S N 2.662 118.416 115.700 0.091 0.000 2.563 364 S HA 0.370 4.820 4.470 -0.034 0.000 0.284 364 S C 0.941 175.443 174.600 -0.164 0.000 1.331 364 S CA 0.321 58.430 58.200 -0.151 0.000 1.047 364 S CB 0.967 63.812 63.200 -0.591 0.000 0.859 364 S HN 0.913 nan 8.310 nan 0.000 0.514 365 A N 3.739 126.454 122.820 -0.175 0.000 2.348 365 A HA 0.459 4.759 4.320 -0.034 0.000 0.224 365 A C 0.961 178.375 177.584 -0.283 0.000 1.227 365 A CA 0.209 52.167 52.037 -0.132 0.000 0.885 365 A CB -0.449 18.575 19.000 0.039 0.000 0.933 365 A HN 0.944 nan 8.150 nan 0.000 0.506 366 G N -0.357 108.154 108.800 -0.482 0.000 2.370 366 G HA2 0.337 4.276 3.960 -0.034 0.000 0.272 366 G HA3 0.337 4.276 3.960 -0.034 0.000 0.272 366 G C 0.628 175.363 174.900 -0.276 0.000 1.208 366 G CA -0.282 44.398 45.100 -0.701 0.000 0.856 366 G HN 0.316 nan 8.290 nan 0.000 0.500 367 K N 1.315 121.616 120.400 -0.166 0.000 2.283 367 K HA -0.131 4.169 4.320 -0.034 0.000 0.202 367 K C 1.883 178.455 176.600 -0.046 0.000 1.048 367 K CA 1.647 57.886 56.287 -0.081 0.000 0.948 367 K CB 0.053 32.521 32.500 -0.054 0.000 0.742 367 K HN 0.662 nan 8.250 nan 0.000 0.458 368 D N 0.928 121.323 120.400 -0.009 0.000 2.123 368 D HA -0.219 4.401 4.640 -0.034 0.000 0.196 368 D C 1.310 177.577 176.300 -0.054 0.000 0.992 368 D CA 1.499 55.496 54.000 -0.006 0.000 0.833 368 D CB -0.234 40.593 40.800 0.044 0.000 0.954 368 D HN 0.246 nan 8.370 nan 0.000 0.455 369 K N -0.206 120.132 120.400 -0.103 0.000 2.186 369 K HA 0.176 4.476 4.320 -0.034 0.000 0.202 369 K C 2.466 178.992 176.600 -0.123 0.000 1.052 369 K CA 0.165 56.357 56.287 -0.157 0.000 0.965 369 K CB 0.153 32.470 32.500 -0.305 0.000 0.746 369 K HN 0.169 nan 8.250 nan 0.000 0.457 370 I N 1.944 122.468 120.570 -0.076 0.000 2.208 370 I HA -0.273 3.876 4.170 -0.034 0.000 0.245 370 I C 1.157 177.289 176.117 0.025 0.000 1.097 370 I CA 1.287 62.615 61.300 0.048 0.000 1.363 370 I CB -0.163 37.839 38.000 0.003 0.000 1.051 370 I HN 0.113 nan 8.210 nan 0.000 0.413 371 D N 0.784 121.163 120.400 -0.034 0.000 2.352 371 D HA -0.056 4.563 4.640 -0.034 0.000 0.232 371 D C 1.634 177.876 176.300 -0.097 0.000 1.055 371 D CA 0.552 54.521 54.000 -0.052 0.000 0.891 371 D CB -0.002 40.775 40.800 -0.038 0.000 0.897 371 D HN 0.394 nan 8.370 nan 0.000 0.529 372 K N -0.117 120.200 120.400 -0.138 0.000 2.418 372 K HA 0.092 4.392 4.320 -0.034 0.000 0.195 372 K C 0.354 176.790 176.600 -0.274 0.000 1.035 372 K CA 0.268 56.448 56.287 -0.177 0.000 1.003 372 K CB 1.156 33.550 32.500 -0.177 0.000 0.793 372 K HN -0.069 nan 8.250 nan 0.000 0.494 373 V N 0.902 120.579 119.914 -0.394 0.000 2.680 373 V HA 0.349 4.449 4.120 -0.034 0.000 0.309 373 V C -0.455 175.342 176.094 -0.495 0.000 1.052 373 V CA -1.212 60.718 62.300 -0.615 0.000 0.908 373 V CB 1.651 32.678 31.823 -1.326 0.000 1.001 373 V HN 0.045 nan 8.190 nan 0.000 0.431 374 A N 3.119 125.737 122.820 -0.337 0.000 2.990 374 A HA 0.349 4.649 4.320 -0.034 0.000 0.282 374 A C 0.407 177.892 177.584 -0.166 0.000 1.688 374 A CA -0.030 51.897 52.037 -0.183 0.000 1.391 374 A CB -0.717 18.228 19.000 -0.091 0.000 1.112 374 A HN 0.833 nan 8.150 nan 0.000 0.588 375 Y N 1.435 121.715 120.300 -0.032 0.000 2.421 375 Y HA -0.214 4.316 4.550 -0.034 0.000 0.292 375 Y C 2.383 178.286 175.900 0.004 0.000 1.136 375 Y CA 1.556 59.654 58.100 -0.004 0.000 1.255 375 Y CB -0.229 38.211 38.460 -0.034 0.000 0.991 375 Y HN 0.797 nan 8.280 nan 0.000 0.552 376 N N -0.105 118.669 118.700 0.124 0.000 2.289 376 N HA -0.131 4.589 4.740 -0.034 0.000 0.184 376 N C 1.564 177.105 175.510 0.051 0.000 1.016 376 N CA 1.651 54.743 53.050 0.071 0.000 0.872 376 N CB -0.857 37.654 38.487 0.040 0.000 0.973 376 N HN 0.286 nan 8.380 nan 0.000 0.433 377 V N 1.171 121.109 119.914 0.040 0.000 2.426 377 V HA 0.077 4.177 4.120 -0.034 0.000 0.242 377 V C 2.806 178.930 176.094 0.050 0.000 1.036 377 V CA 1.343 63.662 62.300 0.031 0.000 1.044 377 V CB -0.891 30.939 31.823 0.012 0.000 0.688 377 V HN 0.433 nan 8.190 nan 0.000 0.462 378 A N 0.935 123.803 122.820 0.080 0.000 1.972 378 A HA -0.283 4.017 4.320 -0.034 0.000 0.219 378 A C 2.224 179.876 177.584 0.113 0.000 1.169 378 A CA 1.887 53.994 52.037 0.118 0.000 0.635 378 A CB -0.577 18.567 19.000 0.240 0.000 0.810 378 A HN 0.768 nan 8.150 nan 0.000 0.446 379 Q N -0.293 119.581 119.800 0.122 0.000 2.234 379 Q HA -0.209 4.111 4.340 -0.034 0.000 0.206 379 Q C 1.130 177.145 176.000 0.025 0.000 0.980 379 Q CA 1.613 57.459 55.803 0.072 0.000 0.869 379 Q CB -0.539 28.233 28.738 0.057 0.000 0.912 379 Q HN 0.547 nan 8.270 nan 0.000 0.436 380 N N 0.454 119.169 118.700 0.025 0.000 2.453 380 N HA -0.035 4.684 4.740 -0.034 0.000 0.183 380 N C 0.948 176.459 175.510 0.002 0.000 1.041 380 N CA 1.206 54.261 53.050 0.009 0.000 0.900 380 N CB 0.084 38.578 38.487 0.011 0.000 0.961 380 N HN 0.283 nan 8.380 nan 0.000 0.443 381 S N -0.091 115.613 115.700 0.007 0.000 2.548 381 S HA 0.256 4.706 4.470 -0.034 0.000 0.215 381 S C 0.697 175.291 174.600 -0.010 0.000 0.976 381 S CA 0.087 58.287 58.200 -0.000 0.000 0.908 381 S CB 0.458 63.658 63.200 -0.001 0.000 0.781 381 S HN 0.206 nan 8.310 nan 0.000 0.519 382 M N 1.069 120.657 119.600 -0.020 0.000 2.456 382 M HA 0.365 4.825 4.480 -0.034 0.000 0.324 382 M C 0.046 176.268 176.300 -0.129 0.000 1.124 382 M CA -0.497 54.774 55.300 -0.049 0.000 0.959 382 M CB 1.626 34.214 32.600 -0.021 0.000 1.692 382 M HN -0.114 nan 8.290 nan 0.000 0.444 383 D N 0.451 120.730 120.400 -0.202 0.000 2.137 383 D HA 0.006 4.626 4.640 -0.034 0.000 0.202 383 D C 0.015 175.839 176.300 -0.794 0.000 0.970 383 D CA 1.350 55.075 54.000 -0.459 0.000 0.837 383 D CB 0.430 40.974 40.800 -0.427 0.000 0.981 383 D HN 0.500 nan 8.370 nan 0.000 0.475 384 H N -0.741 118.188 119.070 -0.235 0.000 2.974 384 H HA 0.411 4.946 4.556 -0.034 0.000 0.366 384 H C -0.548 174.453 175.328 -0.546 0.000 1.155 384 H CA -0.510 55.264 56.048 -0.456 0.000 1.186 384 H CB 1.874 31.157 29.762 -0.799 0.000 1.799 384 H HN -0.134 nan 8.280 nan 0.000 0.541 385 I N 3.127 123.486 120.570 -0.353 0.000 2.328 385 I HA 0.128 4.278 4.170 -0.034 0.000 0.287 385 I C -0.528 175.385 176.117 -0.341 0.000 1.012 385 I CA -0.551 60.569 61.300 -0.301 0.000 1.195 385 I CB 0.487 38.365 38.000 -0.202 0.000 1.350 385 I HN 0.246 nan 8.210 nan 0.000 0.464 386 F N 6.913 126.770 119.950 -0.156 0.000 2.405 386 F HA 0.236 4.742 4.527 -0.034 0.000 0.358 386 F C 0.178 175.914 175.800 -0.107 0.000 1.151 386 F CA -0.674 57.074 58.000 -0.420 0.000 1.161 386 F CB 0.557 38.988 39.000 -0.948 0.000 1.245 386 F HN 0.307 nan 8.300 nan 0.000 0.545 387 L N 5.248 126.649 121.223 0.296 0.000 2.385 387 L HA 0.266 4.586 4.340 -0.034 0.000 0.281 387 L C 0.140 177.163 176.870 0.255 0.000 1.106 387 L CA 0.145 55.102 54.840 0.196 0.000 0.856 387 L CB 0.263 42.397 42.059 0.126 0.000 1.186 387 L HN 0.529 nan 8.230 nan 0.000 0.453 388 M N 4.844 124.473 119.600 0.048 0.000 3.442 388 M HA 0.096 4.555 4.480 -0.034 0.000 0.232 388 M C 0.599 176.487 176.300 -0.686 0.000 1.508 388 M CA 0.134 55.189 55.300 -0.408 0.000 1.647 388 M CB -0.435 32.042 32.600 -0.205 0.000 1.126 388 M HN 0.728 nan 8.290 nan 0.000 0.557 389 S N 1.714 117.060 115.700 -0.591 0.000 3.983 389 S HA 0.348 4.798 4.470 -0.034 0.000 0.194 389 S C -0.627 173.516 174.600 -0.762 0.000 1.464 389 S CA -0.591 57.347 58.200 -0.436 0.000 1.021 389 S CB -0.890 62.302 63.200 -0.012 0.000 1.424 389 S HN 0.571 nan 8.310 nan 0.000 0.473 390 Y N -3.098 116.713 120.300 -0.816 0.000 2.750 390 Y HA 0.550 5.080 4.550 -0.034 0.000 0.335 390 Y C -0.463 175.163 175.900 -0.456 0.000 1.252 390 Y CA -1.782 55.948 58.100 -0.617 0.000 1.064 390 Y CB -0.305 38.015 38.460 -0.233 0.000 1.321 390 Y HN 0.155 nan 8.280 nan 0.000 0.451 391 D N -0.132 120.367 120.400 0.164 0.000 2.837 391 D HA -0.200 4.420 4.640 -0.034 0.000 0.230 391 D C 0.423 176.951 176.300 0.380 0.000 1.152 391 D CA 1.168 55.349 54.000 0.302 0.000 0.736 391 D CB -1.240 39.722 40.800 0.270 0.000 1.084 391 D HN 0.513 nan 8.370 nan 0.000 0.429 392 F N -0.657 119.536 119.950 0.405 0.000 2.186 392 F HA 0.017 4.524 4.527 -0.035 0.000 0.299 392 F C 1.199 177.129 175.800 0.217 0.000 1.090 392 F CA 0.928 59.159 58.000 0.385 0.000 1.307 392 F CB -0.218 39.012 39.000 0.382 0.000 1.019 392 F HN 0.087 nan 8.300 nan 0.000 0.489 393 Y N -1.773 118.862 120.300 0.558 0.000 2.669 393 Y HA 0.672 5.202 4.550 -0.033 0.000 0.335 393 Y C 0.536 176.429 175.900 -0.012 0.000 1.116 393 Y CA -0.912 57.401 58.100 0.355 0.000 1.081 393 Y CB 1.692 40.422 38.460 0.449 0.000 1.297 393 Y HN -0.082 nan 8.280 nan 0.000 0.484 394 G N -0.753 107.931 108.800 -0.193 0.000 2.356 394 G HA2 0.375 4.315 3.960 -0.034 0.000 0.300 394 G HA3 0.375 4.315 3.960 -0.034 0.000 0.300 394 G C -0.568 173.779 174.900 -0.922 0.000 1.331 394 G CA -0.267 44.325 45.100 -0.846 0.000 0.905 394 G HN 0.930 nan 8.290 nan 0.000 0.587 395 A N -0.632 121.717 122.820 -0.784 0.000 2.239 395 A HA 0.367 4.667 4.320 -0.034 0.000 0.209 395 A C 1.847 179.395 177.584 -0.061 0.000 1.171 395 A CA 1.881 53.700 52.037 -0.363 0.000 0.768 395 A CB -0.903 17.933 19.000 -0.274 0.000 0.790 395 A HN 1.457 nan 8.150 nan 0.000 0.478 396 F N -0.810 119.195 119.950 0.091 0.000 2.451 396 F HA 0.163 4.671 4.527 -0.032 0.000 0.299 396 F C 0.371 176.269 175.800 0.164 0.000 1.101 396 F CA 0.030 58.097 58.000 0.112 0.000 1.436 396 F CB -0.261 38.788 39.000 0.081 0.000 1.074 396 F HN 0.152 nan 8.300 nan 0.000 0.553 397 D N 0.658 121.125 120.400 0.112 0.000 2.620 397 D HA 0.282 4.902 4.640 -0.034 0.000 0.252 397 D C 0.227 176.674 176.300 0.245 0.000 1.207 397 D CA -0.402 53.722 54.000 0.207 0.000 0.884 397 D CB 1.464 42.400 40.800 0.225 0.000 1.262 397 D HN 0.175 nan 8.370 nan 0.000 0.552 398 L N 2.862 124.194 121.223 0.181 0.000 2.567 398 L HA 0.190 4.510 4.340 -0.034 0.000 0.225 398 L C 2.029 178.890 176.870 -0.015 0.000 1.119 398 L CA 0.190 55.110 54.840 0.133 0.000 0.871 398 L CB 0.307 42.444 42.059 0.130 0.000 1.036 398 L HN 0.215 nan 8.230 nan 0.000 0.459 399 K N -0.067 120.340 120.400 0.011 0.000 2.214 399 K HA 0.128 4.427 4.320 -0.034 0.000 0.201 399 K C 0.283 176.854 176.600 -0.048 0.000 1.049 399 K CA 0.354 56.627 56.287 -0.024 0.000 0.978 399 K CB 0.435 32.944 32.500 0.015 0.000 0.842 399 K HN 0.198 nan 8.250 nan 0.000 0.474 400 N N 2.258 120.969 118.700 0.020 0.000 2.609 400 N HA 0.215 4.935 4.740 -0.034 0.000 0.234 400 N C -0.717 174.861 175.510 0.114 0.000 1.001 400 N CA -0.016 53.080 53.050 0.078 0.000 0.926 400 N CB 1.092 39.675 38.487 0.161 0.000 1.130 400 N HN 0.033 nan 8.380 nan 0.000 0.510 401 L N 0.499 121.620 121.223 -0.170 0.000 2.399 401 L HA 0.832 5.151 4.340 -0.034 0.000 0.265 401 L C 1.083 177.679 176.870 -0.457 0.000 1.089 401 L CA -0.733 53.845 54.840 -0.437 0.000 0.802 401 L CB 1.392 42.879 42.059 -0.954 0.000 1.180 401 L HN 0.401 nan 8.230 nan 0.000 0.454 402 G N -1.143 107.330 108.800 -0.545 0.000 2.451 402 G HA2 0.237 4.177 3.960 -0.034 0.000 0.292 402 G HA3 0.237 4.177 3.960 -0.034 0.000 0.292 402 G C -1.571 173.036 174.900 -0.489 0.000 1.427 402 G CA -0.788 43.619 45.100 -1.155 0.000 0.792 402 G HN 0.468 nan 8.290 nan 0.000 0.498 403 H N 0.715 119.516 119.070 -0.449 0.000 2.848 403 H HA 0.122 4.659 4.556 -0.033 0.000 0.317 403 H C 1.410 176.946 175.328 0.347 0.000 1.046 403 H CA 0.801 56.819 56.048 -0.050 0.000 1.470 403 H CB 1.834 31.480 29.762 -0.194 0.000 1.483 403 H HN 0.733 nan 8.280 nan 0.000 0.548 404 Q N 1.388 121.479 119.800 0.485 0.000 2.378 404 Q HA -0.024 4.296 4.340 -0.034 0.000 0.205 404 Q C 0.918 177.085 176.000 0.280 0.000 0.954 404 Q CA 1.248 57.331 55.803 0.468 0.000 0.901 404 Q CB 0.631 29.549 28.738 0.301 0.000 0.981 404 Q HN 0.480 nan 8.270 nan 0.000 0.483 405 T N -0.777 113.924 114.554 0.244 0.000 3.641 405 T HA 0.530 4.860 4.350 -0.034 0.000 0.313 405 T C -0.334 174.463 174.700 0.162 0.000 0.952 405 T CA 0.060 62.202 62.100 0.070 0.000 1.004 405 T CB -0.002 68.844 68.868 -0.037 0.000 1.209 405 T HN 0.433 nan 8.240 nan 0.000 0.493 406 A N 0.927 123.897 122.820 0.250 0.000 2.406 406 A HA 0.579 4.879 4.320 -0.034 0.000 0.243 406 A C 1.393 178.993 177.584 0.027 0.000 1.082 406 A CA -0.296 51.753 52.037 0.019 0.000 0.786 406 A CB 0.092 19.036 19.000 -0.093 0.000 1.029 406 A HN 0.451 nan 8.150 nan 0.000 0.495 407 L N 1.000 122.157 121.223 -0.109 0.000 2.027 407 L HA 0.022 4.341 4.340 -0.034 0.000 0.206 407 L C 0.618 177.360 176.870 -0.212 0.000 1.074 407 L CA 1.708 56.433 54.840 -0.191 0.000 0.745 407 L CB -0.475 41.436 42.059 -0.247 0.000 0.898 407 L HN 0.771 nan 8.230 nan 0.000 0.433 408 N N -1.435 117.146 118.700 -0.199 0.000 2.577 408 N HA 0.494 5.213 4.740 -0.034 0.000 0.285 408 N C -0.732 174.655 175.510 -0.205 0.000 1.309 408 N CA -0.036 52.897 53.050 -0.196 0.000 0.798 408 N CB 1.273 39.653 38.487 -0.179 0.000 1.463 408 N HN 0.136 nan 8.380 nan 0.000 0.518 409 A N 1.084 123.777 122.820 -0.210 0.000 2.406 409 A HA 0.412 4.712 4.320 -0.034 0.000 0.243 409 A C -2.080 175.287 177.584 -0.362 0.000 1.082 409 A CA -0.635 51.241 52.037 -0.268 0.000 0.786 409 A CB -0.452 18.402 19.000 -0.242 0.000 1.029 409 A HN 0.427 nan 8.150 nan 0.000 0.495 410 P HA 0.316 nan 4.420 nan 0.000 0.278 410 P C 0.469 177.350 177.300 -0.698 0.000 1.266 410 P CA 0.229 62.814 63.100 -0.858 0.000 0.807 410 P CB 1.255 31.740 31.700 -2.024 0.000 1.094 411 A N 0.817 123.364 122.820 -0.455 0.000 2.015 411 A HA -0.122 4.178 4.320 -0.034 0.000 0.219 411 A C 1.732 179.256 177.584 -0.101 0.000 1.163 411 A CA 1.124 53.057 52.037 -0.173 0.000 0.646 411 A CB -1.546 17.457 19.000 0.004 0.000 0.806 411 A HN 0.806 nan 8.150 nan 0.000 0.448 412 W N -1.064 120.197 121.300 -0.065 0.000 2.905 412 W HA 0.349 4.993 4.660 -0.026 0.000 0.251 412 W C 0.504 176.977 176.519 -0.077 0.000 1.305 412 W CA 0.690 57.995 57.345 -0.067 0.000 1.465 412 W CB 0.185 29.598 29.460 -0.078 0.000 1.122 412 W HN 0.098 nan 8.180 nan 0.000 0.659 413 K N 1.477 121.588 120.400 -0.481 0.000 2.984 413 K HA 0.150 4.450 4.320 -0.034 0.000 0.211 413 K C -2.239 174.186 176.600 -0.292 0.000 1.174 413 K CA -1.149 54.964 56.287 -0.291 0.000 0.978 413 K CB 1.098 33.447 32.500 -0.253 0.000 1.212 413 K HN -0.316 nan 8.250 nan 0.000 0.589 414 P HA -0.103 nan 4.420 nan 0.000 0.230 414 P C 0.326 177.552 177.300 -0.123 0.000 1.158 414 P CA 0.858 63.859 63.100 -0.165 0.000 0.769 414 P CB 0.181 31.812 31.700 -0.114 0.000 0.807 415 D N -1.660 118.679 120.400 -0.100 0.000 2.328 415 D HA -0.023 4.597 4.640 -0.034 0.000 0.221 415 D C -0.091 176.167 176.300 -0.069 0.000 1.072 415 D CA 0.039 53.996 54.000 -0.072 0.000 0.850 415 D CB -1.259 39.512 40.800 -0.048 0.000 0.922 415 D HN -0.105 nan 8.370 nan 0.000 0.516 416 T N 0.920 115.418 114.554 -0.095 0.000 2.800 416 T HA 0.208 4.538 4.350 -0.034 0.000 0.283 416 T C 1.392 176.061 174.700 -0.051 0.000 0.999 416 T CA 0.500 62.565 62.100 -0.058 0.000 1.176 416 T CB 1.223 70.034 68.868 -0.096 0.000 0.973 416 T HN 0.302 nan 8.240 nan 0.000 0.519 417 A N 4.026 126.836 122.820 -0.017 0.000 1.854 417 A HA 0.016 4.316 4.320 -0.034 0.000 0.214 417 A C 0.667 178.267 177.584 0.028 0.000 1.192 417 A CA 0.860 52.905 52.037 0.012 0.000 0.611 417 A CB -0.298 18.725 19.000 0.038 0.000 0.832 417 A HN 0.747 nan 8.150 nan 0.000 0.442 418 Y N 1.912 122.026 120.300 -0.310 0.000 2.636 418 Y HA 0.393 4.923 4.550 -0.033 0.000 0.341 418 Y C 0.849 176.077 175.900 -1.119 0.000 1.169 418 Y CA -0.365 57.336 58.100 -0.665 0.000 1.498 418 Y CB -0.345 37.825 38.460 -0.482 0.000 1.362 418 Y HN 0.356 nan 8.280 nan 0.000 0.494 419 T N -2.741 111.282 114.554 -0.884 0.000 2.901 419 T HA 0.308 4.638 4.350 -0.034 0.000 0.293 419 T C 1.082 175.504 174.700 -0.463 0.000 1.084 419 T CA -0.654 61.029 62.100 -0.694 0.000 1.008 419 T CB 1.668 70.357 68.868 -0.297 0.000 1.170 419 T HN 0.235 nan 8.240 nan 0.000 0.509 420 T N 1.034 115.551 114.554 -0.062 0.000 2.708 420 T HA -0.102 4.228 4.350 -0.034 0.000 0.266 420 T C 2.103 176.768 174.700 -0.058 0.000 1.037 420 T CA 1.538 63.675 62.100 0.062 0.000 1.146 420 T CB -0.437 68.450 68.868 0.031 0.000 0.865 420 T HN 0.491 nan 8.240 nan 0.000 0.435 421 V N 2.698 122.514 119.914 -0.164 0.000 2.332 421 V HA -0.210 3.890 4.120 -0.034 0.000 0.248 421 V C 2.379 178.445 176.094 -0.045 0.000 1.055 421 V CA 1.617 63.857 62.300 -0.102 0.000 1.038 421 V CB -0.675 31.054 31.823 -0.156 0.000 0.651 421 V HN 0.463 nan 8.190 nan 0.000 0.450 422 N N 0.781 119.418 118.700 -0.105 0.000 2.223 422 N HA -0.100 4.620 4.740 -0.034 0.000 0.185 422 N C 1.830 177.285 175.510 -0.091 0.000 1.016 422 N CA 1.514 54.506 53.050 -0.097 0.000 0.863 422 N CB -0.583 37.825 38.487 -0.131 0.000 0.983 422 N HN 0.544 nan 8.380 nan 0.000 0.429 423 G N 0.526 109.266 108.800 -0.100 0.000 2.394 423 G HA2 -0.119 3.821 3.960 -0.034 0.000 0.214 423 G HA3 -0.119 3.821 3.960 -0.034 0.000 0.214 423 G C 1.700 176.577 174.900 -0.038 0.000 1.176 423 G CA 0.468 45.517 45.100 -0.085 0.000 0.786 423 G HN 0.160 nan 8.290 nan 0.000 0.533 424 V N 1.747 121.672 119.914 0.018 0.000 2.287 424 V HA -0.222 3.877 4.120 -0.034 0.000 0.248 424 V C 2.690 178.799 176.094 0.025 0.000 1.053 424 V CA 2.018 64.350 62.300 0.052 0.000 1.027 424 V CB -0.509 31.421 31.823 0.177 0.000 0.646 424 V HN 0.292 nan 8.190 nan 0.000 0.447 425 N N 0.357 119.073 118.700 0.026 0.000 2.166 425 N HA -0.100 4.620 4.740 -0.034 0.000 0.186 425 N C 1.850 177.355 175.510 -0.008 0.000 1.019 425 N CA 1.581 54.638 53.050 0.011 0.000 0.856 425 N CB -0.552 37.940 38.487 0.007 0.000 0.993 425 N HN 0.500 nan 8.380 nan 0.000 0.426 426 A N 1.019 123.825 122.820 -0.023 0.000 1.902 426 A HA -0.066 4.233 4.320 -0.034 0.000 0.217 426 A C 2.346 179.922 177.584 -0.012 0.000 1.181 426 A CA 0.948 52.970 52.037 -0.024 0.000 0.623 426 A CB -0.722 18.254 19.000 -0.040 0.000 0.818 426 A HN 0.224 nan 8.150 nan 0.000 0.443 427 L N -0.708 120.497 121.223 -0.029 0.000 2.046 427 L HA -0.168 4.151 4.340 -0.034 0.000 0.208 427 L C 2.544 179.410 176.870 -0.008 0.000 1.077 427 L CA 1.074 55.895 54.840 -0.031 0.000 0.747 427 L CB -0.539 41.462 42.059 -0.096 0.000 0.896 427 L HN 0.373 nan 8.230 nan 0.000 0.432 428 L N -0.427 120.790 121.223 -0.010 0.000 2.083 428 L HA -0.171 4.148 4.340 -0.034 0.000 0.209 428 L C 2.801 179.671 176.870 -0.000 0.000 1.083 428 L CA 1.043 55.880 54.840 -0.005 0.000 0.752 428 L CB -0.724 41.331 42.059 -0.006 0.000 0.899 428 L HN 0.235 nan 8.230 nan 0.000 0.433 429 A N -0.606 122.214 122.820 0.000 0.000 2.015 429 A HA -0.187 4.113 4.320 -0.034 0.000 0.219 429 A C 2.204 179.791 177.584 0.006 0.000 1.163 429 A CA 1.101 53.138 52.037 0.001 0.000 0.646 429 A CB -0.305 18.693 19.000 -0.003 0.000 0.806 429 A HN 0.481 nan 8.150 nan 0.000 0.448 430 Q N -1.795 118.014 119.800 0.015 0.000 2.297 430 Q HA 0.135 4.454 4.340 -0.034 0.000 0.204 430 Q C 1.239 177.252 176.000 0.021 0.000 0.962 430 Q CA 0.740 56.557 55.803 0.023 0.000 0.879 430 Q CB -0.005 28.764 28.738 0.053 0.000 0.947 430 Q HN 0.887 nan 8.270 nan 0.000 0.462 431 G N 0.058 108.868 108.800 0.017 0.000 2.175 431 G HA2 -0.186 3.753 3.960 -0.034 0.000 0.182 431 G HA3 -0.186 3.753 3.960 -0.034 0.000 0.182 431 G C 0.018 174.928 174.900 0.017 0.000 1.003 431 G CA -0.220 44.888 45.100 0.014 0.000 0.666 431 G HN 0.143 nan 8.290 nan 0.000 0.506 432 V N 2.080 122.007 119.914 0.021 0.000 2.585 432 V HA 0.195 4.295 4.120 -0.034 0.000 0.296 432 V C 1.145 177.237 176.094 -0.003 0.000 1.035 432 V CA 0.155 62.464 62.300 0.015 0.000 1.084 432 V CB 1.034 32.860 31.823 0.005 0.000 0.953 432 V HN 0.309 nan 8.190 nan 0.000 0.483 433 K N 7.293 127.689 120.400 -0.007 0.000 2.401 433 K HA 0.158 4.458 4.320 -0.034 0.000 0.278 433 K C -1.431 175.155 176.600 -0.022 0.000 1.018 433 K CA -1.253 55.026 56.287 -0.014 0.000 0.981 433 K CB 0.735 33.227 32.500 -0.013 0.000 0.933 433 K HN 0.413 nan 8.250 nan 0.000 0.477 434 P HA -0.149 nan 4.420 nan 0.000 0.218 434 P C 1.187 178.470 177.300 -0.028 0.000 1.149 434 P CA 1.180 64.259 63.100 -0.035 0.000 0.817 434 P CB 0.073 31.744 31.700 -0.049 0.000 0.785 435 G N 0.304 109.092 108.800 -0.018 0.000 2.559 435 G HA2 -0.171 3.769 3.960 -0.034 0.000 0.216 435 G HA3 -0.171 3.769 3.960 -0.034 0.000 0.216 435 G C 1.549 176.451 174.900 0.005 0.000 1.126 435 G CA 0.315 45.413 45.100 -0.003 0.000 0.778 435 G HN 0.221 nan 8.290 nan 0.000 0.543 436 K N -0.082 120.306 120.400 -0.019 0.000 2.296 436 K HA 0.146 4.446 4.320 -0.034 0.000 0.200 436 K C 0.634 177.211 176.600 -0.039 0.000 1.048 436 K CA 0.116 56.379 56.287 -0.041 0.000 0.966 436 K CB 0.331 32.795 32.500 -0.061 0.000 0.754 436 K HN 0.336 nan 8.250 nan 0.000 0.466 437 I N 2.145 122.701 120.570 -0.023 0.000 2.312 437 I HA 0.068 4.218 4.170 -0.034 0.000 0.291 437 I C -0.319 175.823 176.117 0.041 0.000 1.031 437 I CA -0.669 60.621 61.300 -0.017 0.000 1.293 437 I CB 1.458 39.452 38.000 -0.011 0.000 1.403 437 I HN -0.349 nan 8.210 nan 0.000 0.484 438 V N 7.581 127.540 119.914 0.074 0.000 2.370 438 V HA 0.267 4.367 4.120 -0.034 0.000 0.279 438 V C 0.281 176.622 176.094 0.413 0.000 1.029 438 V CA -0.725 61.713 62.300 0.231 0.000 0.870 438 V CB 1.639 33.619 31.823 0.261 0.000 0.984 438 V HN 0.375 nan 8.190 nan 0.000 0.451 439 V N 4.095 124.208 119.914 0.331 0.000 2.583 439 V HA 0.504 4.604 4.120 -0.034 0.000 0.287 439 V C 1.027 177.220 176.094 0.165 0.000 1.051 439 V CA 0.013 62.473 62.300 0.267 0.000 1.010 439 V CB 1.546 33.493 31.823 0.206 0.000 0.988 439 V HN 0.983 nan 8.190 nan 0.000 0.478 440 G N 2.773 111.554 108.800 -0.031 0.000 2.372 440 G HA2 0.567 4.506 3.960 -0.034 0.000 0.283 440 G HA3 0.567 4.506 3.960 -0.034 0.000 0.283 440 G C -0.058 174.727 174.900 -0.191 0.000 1.177 440 G CA -0.077 44.698 45.100 -0.542 0.000 0.842 440 G HN 0.840 nan 8.290 nan 0.000 0.503 441 T N -1.125 113.314 114.554 -0.191 0.000 2.863 441 T HA 0.724 5.053 4.350 -0.034 0.000 0.285 441 T C -0.145 174.523 174.700 -0.053 0.000 1.009 441 T CA -0.536 61.520 62.100 -0.074 0.000 0.989 441 T CB 2.041 70.853 68.868 -0.093 0.000 1.004 441 T HN 1.017 nan 8.240 nan 0.000 0.455 442 A N 3.587 126.331 122.820 -0.126 0.000 2.276 442 A HA 0.657 4.957 4.320 -0.034 0.000 0.316 442 A C 0.608 178.062 177.584 -0.216 0.000 1.229 442 A CA -0.986 50.852 52.037 -0.331 0.000 0.851 442 A CB 0.301 18.880 19.000 -0.702 0.000 1.165 442 A HN 0.979 nan 8.150 nan 0.000 0.513 443 M N 2.614 122.194 119.600 -0.034 0.000 2.723 443 M HA 0.238 4.698 4.480 -0.034 0.000 0.270 443 M C -0.914 175.532 176.300 0.243 0.000 1.282 443 M CA 0.224 55.551 55.300 0.044 0.000 0.995 443 M CB -0.684 31.928 32.600 0.020 0.000 1.430 443 M HN 0.754 nan 8.290 nan 0.000 0.477 444 Y N -3.458 116.919 120.300 0.130 0.000 2.638 444 Y HA 0.877 5.406 4.550 -0.034 0.000 0.335 444 Y C -0.429 175.590 175.900 0.197 0.000 1.155 444 Y CA -1.881 56.314 58.100 0.157 0.000 1.046 444 Y CB 0.381 38.919 38.460 0.129 0.000 1.303 444 Y HN -0.066 nan 8.280 nan 0.000 0.460 445 G N 1.255 110.200 108.800 0.242 0.000 2.471 445 G HA2 0.728 4.667 3.960 -0.034 0.000 0.332 445 G HA3 0.728 4.667 3.960 -0.034 0.000 0.332 445 G C -1.315 173.724 174.900 0.231 0.000 1.176 445 G CA -1.414 43.807 45.100 0.203 0.000 0.949 445 G HN 0.680 nan 8.290 nan 0.000 0.488 446 R N -0.912 119.659 120.500 0.118 0.000 2.832 446 R HA 0.753 5.073 4.340 -0.034 0.000 0.271 446 R C -0.152 175.976 176.300 -0.288 0.000 0.996 446 R CA -0.469 55.594 56.100 -0.061 0.000 0.977 446 R CB 2.356 32.601 30.300 -0.092 0.000 1.168 446 R HN 0.788 nan 8.270 nan 0.000 0.482 447 G N 0.401 108.893 108.800 -0.515 0.000 2.559 447 G HA2 0.466 4.405 3.960 -0.034 0.000 0.291 447 G HA3 0.466 4.405 3.960 -0.034 0.000 0.291 447 G C -1.912 172.638 174.900 -0.583 0.000 1.424 447 G CA -0.637 44.148 45.100 -0.525 0.000 0.786 447 G HN 0.346 nan 8.290 nan 0.000 0.485 448 W N -0.567 120.736 121.300 0.006 0.000 2.882 448 W HA 0.694 5.335 4.660 -0.031 0.000 0.345 448 W C -0.270 176.246 176.519 -0.005 0.000 1.125 448 W CA -0.593 56.746 57.345 -0.009 0.000 1.167 448 W CB 2.283 31.725 29.460 -0.031 0.000 1.431 448 W HN 0.656 nan 8.180 nan 0.000 0.543 449 T N -0.878 113.804 114.554 0.213 0.000 2.942 449 T HA 0.512 4.842 4.350 -0.034 0.000 0.289 449 T C 0.649 175.410 174.700 0.102 0.000 1.044 449 T CA 0.611 62.778 62.100 0.111 0.000 1.023 449 T CB 1.087 69.983 68.868 0.046 0.000 1.123 449 T HN 0.930 nan 8.240 nan 0.000 0.512 450 G N 1.478 110.308 108.800 0.050 0.000 2.198 450 G HA2 -0.195 3.745 3.960 -0.034 0.000 0.260 450 G HA3 -0.195 3.745 3.960 -0.034 0.000 0.260 450 G C 0.172 175.112 174.900 0.067 0.000 1.025 450 G CA 0.186 45.311 45.100 0.042 0.000 0.769 450 G HN 0.958 nan 8.290 nan 0.000 0.507 451 V N 0.929 120.906 119.914 0.104 0.000 2.599 451 V HA 0.434 4.533 4.120 -0.034 0.000 0.300 451 V C 0.613 176.828 176.094 0.202 0.000 1.034 451 V CA 0.904 63.254 62.300 0.083 0.000 1.115 451 V CB 0.658 32.495 31.823 0.023 0.000 0.934 451 V HN 0.991 nan 8.190 nan 0.000 0.485 452 N N 1.842 120.633 118.700 0.152 0.000 2.708 452 N HA 0.626 5.346 4.740 -0.034 0.000 0.257 452 N C 0.070 175.608 175.510 0.047 0.000 1.373 452 N CA -0.302 52.838 53.050 0.151 0.000 0.843 452 N CB 1.721 40.235 38.487 0.045 0.000 1.503 452 N HN 0.920 nan 8.380 nan 0.000 0.504 453 G N -0.622 108.097 108.800 -0.134 0.000 2.246 453 G HA2 -0.240 3.700 3.960 -0.034 0.000 0.273 453 G HA3 -0.240 3.700 3.960 -0.034 0.000 0.273 453 G C -0.726 174.087 174.900 -0.146 0.000 1.055 453 G CA 0.767 45.768 45.100 -0.165 0.000 0.851 453 G HN 0.920 nan 8.290 nan 0.000 0.500 454 Y N -1.403 118.798 120.300 -0.165 0.000 2.457 454 Y HA 0.788 5.329 4.550 -0.015 0.000 0.333 454 Y C 0.283 176.071 175.900 -0.186 0.000 1.119 454 Y CA -1.182 56.783 58.100 -0.225 0.000 1.143 454 Y CB 1.032 39.291 38.460 -0.334 0.000 1.230 454 Y HN 0.491 nan 8.280 nan 0.000 0.469 455 Q N 0.905 120.676 119.800 -0.049 0.000 2.248 455 Q HA 0.421 4.741 4.340 -0.034 0.000 0.263 455 Q C -0.514 175.465 176.000 -0.035 0.000 1.007 455 Q CA -0.983 54.776 55.803 -0.073 0.000 0.877 455 Q CB 1.176 29.872 28.738 -0.072 0.000 1.315 455 Q HN 0.833 nan 8.270 nan 0.000 0.454 456 N N 1.531 120.215 118.700 -0.026 0.000 2.735 456 N HA -0.220 4.500 4.740 -0.034 0.000 0.248 456 N C -0.814 174.702 175.510 0.010 0.000 1.083 456 N CA 1.122 54.167 53.050 -0.008 0.000 0.703 456 N CB -1.397 37.084 38.487 -0.011 0.000 1.005 456 N HN 0.958 nan 8.380 nan 0.000 0.550 457 N N -1.328 117.407 118.700 0.057 0.000 2.693 457 N HA -0.210 4.510 4.740 -0.034 0.000 0.249 457 N C -0.673 174.798 175.510 -0.064 0.000 1.119 457 N CA 0.995 54.095 53.050 0.084 0.000 0.717 457 N CB -0.672 37.861 38.487 0.076 0.000 1.071 457 N HN 0.449 nan 8.380 nan 0.000 0.555 458 I N 0.585 121.052 120.570 -0.172 0.000 2.371 458 I HA 0.190 4.340 4.170 -0.034 0.000 0.282 458 I C -1.417 174.275 176.117 -0.708 0.000 1.031 458 I CA -2.049 58.970 61.300 -0.467 0.000 1.180 458 I CB 1.150 38.741 38.000 -0.681 0.000 1.336 458 I HN -0.281 nan 8.210 nan 0.000 0.467 459 P HA -0.100 nan 4.420 nan 0.000 0.219 459 P C 1.496 178.127 177.300 -1.114 0.000 1.146 459 P CA 1.325 63.462 63.100 -1.604 0.000 0.808 459 P CB 0.068 30.462 31.700 -2.176 0.000 0.779 460 F N -0.155 119.211 119.950 -0.973 0.000 2.641 460 F HA -0.065 4.443 4.527 -0.032 0.000 0.298 460 F C 1.847 177.228 175.800 -0.698 0.000 1.146 460 F CA 1.401 58.884 58.000 -0.862 0.000 1.464 460 F CB -1.495 36.942 39.000 -0.939 0.000 1.101 460 F HN 0.007 nan 8.300 nan 0.000 0.585 461 T N -2.882 111.362 114.554 -0.515 0.000 3.163 461 T HA 0.430 4.759 4.350 -0.034 0.000 0.252 461 T C 1.022 175.608 174.700 -0.190 0.000 1.056 461 T CA 0.170 62.082 62.100 -0.313 0.000 0.947 461 T CB -0.398 68.289 68.868 -0.302 0.000 1.016 461 T HN 0.142 nan 8.240 nan 0.000 0.554 462 G N 1.170 109.841 108.800 -0.216 0.000 2.702 462 G HA2 0.640 4.580 3.960 -0.034 0.000 0.254 462 G HA3 0.640 4.580 3.960 -0.034 0.000 0.254 462 G C -0.482 174.307 174.900 -0.185 0.000 1.380 462 G CA -0.313 44.716 45.100 -0.119 0.000 1.042 462 G HN 0.566 nan 8.290 nan 0.000 0.557 463 T N -3.564 110.904 114.554 -0.144 0.000 2.901 463 T HA 0.759 5.089 4.350 -0.034 0.000 0.293 463 T C -0.334 174.278 174.700 -0.147 0.000 1.084 463 T CA -0.134 61.867 62.100 -0.165 0.000 1.008 463 T CB 1.779 70.593 68.868 -0.090 0.000 1.170 463 T HN 1.263 nan 8.240 nan 0.000 0.509 464 A N 0.537 123.269 122.820 -0.146 0.000 2.322 464 A HA 0.778 5.077 4.320 -0.034 0.000 0.327 464 A C 1.186 178.789 177.584 0.032 0.000 1.134 464 A CA -0.214 51.796 52.037 -0.046 0.000 0.831 464 A CB 1.128 20.122 19.000 -0.009 0.000 1.288 464 A HN 1.282 nan 8.150 nan 0.000 0.472 465 T N -2.762 111.830 114.554 0.065 0.000 2.990 465 T HA 0.526 4.856 4.350 -0.034 0.000 0.250 465 T C 0.757 175.506 174.700 0.081 0.000 1.041 465 T CA 0.857 62.993 62.100 0.059 0.000 1.010 465 T CB 0.014 68.906 68.868 0.040 0.000 1.003 465 T HN 1.942 nan 8.240 nan 0.000 0.499 466 G N 1.417 110.288 108.800 0.119 0.000 2.427 466 G HA2 0.552 4.492 3.960 -0.034 0.000 0.306 466 G HA3 0.552 4.492 3.960 -0.034 0.000 0.306 466 G C -3.445 171.538 174.900 0.138 0.000 1.280 466 G CA -0.998 44.170 45.100 0.113 0.000 0.837 466 G HN 0.050 nan 8.290 nan 0.000 0.482 467 P HA 0.438 nan 4.420 nan 0.000 0.281 467 P C 0.198 177.504 177.300 0.010 0.000 1.249 467 P CA -0.404 62.701 63.100 0.008 0.000 0.810 467 P CB 1.780 33.472 31.700 -0.013 0.000 1.008 468 V N 2.753 122.649 119.914 -0.030 0.000 2.843 468 V HA -0.013 4.087 4.120 -0.034 0.000 0.305 468 V C 0.883 176.963 176.094 -0.024 0.000 1.065 468 V CA -0.174 62.114 62.300 -0.021 0.000 1.116 468 V CB 0.011 31.807 31.823 -0.045 0.000 0.968 468 V HN 0.538 nan 8.190 nan 0.000 0.487 469 K N 5.154 125.546 120.400 -0.013 0.000 2.382 469 K HA 0.255 4.554 4.320 -0.034 0.000 0.286 469 K C 0.298 176.894 176.600 -0.006 0.000 1.062 469 K CA 0.250 56.536 56.287 -0.002 0.000 1.000 469 K CB -0.063 32.445 32.500 0.013 0.000 0.954 469 K HN 0.881 nan 8.250 nan 0.000 0.470 470 G N 2.484 111.280 108.800 -0.007 0.000 2.580 470 G HA2 0.045 3.984 3.960 -0.034 0.000 0.278 470 G HA3 0.045 3.984 3.960 -0.034 0.000 0.278 470 G C 0.672 175.528 174.900 -0.073 0.000 1.212 470 G CA -0.544 44.550 45.100 -0.010 0.000 0.939 470 G HN 0.666 nan 8.290 nan 0.000 0.513 471 T N -0.537 113.928 114.554 -0.149 0.000 2.770 471 T HA -0.085 4.244 4.350 -0.034 0.000 0.263 471 T C 1.512 175.760 174.700 -0.753 0.000 1.039 471 T CA 1.620 63.421 62.100 -0.498 0.000 1.142 471 T CB -0.105 68.418 68.868 -0.575 0.000 0.868 471 T HN 0.662 nan 8.240 nan 0.000 0.435 472 W N 1.300 122.632 121.300 0.054 0.000 3.097 472 W HA 0.320 4.960 4.660 -0.033 0.000 0.245 472 W C 0.690 177.240 176.519 0.051 0.000 1.120 472 W CA -0.608 56.773 57.345 0.059 0.000 1.468 472 W CB 0.773 30.280 29.460 0.078 0.000 0.851 472 W HN 0.203 nan 8.180 nan 0.000 0.692 473 E N 0.417 120.745 120.200 0.213 0.000 2.390 473 E HA 0.279 4.608 4.350 -0.034 0.000 0.277 473 E C -0.754 175.890 176.600 0.074 0.000 0.939 473 E CA -1.031 55.449 56.400 0.132 0.000 0.769 473 E CB 0.706 30.486 29.700 0.134 0.000 1.251 473 E HN -0.306 nan 8.360 nan 0.000 0.450 474 N N 0.571 119.302 118.700 0.051 0.000 2.357 474 N HA 0.154 4.874 4.740 -0.034 0.000 0.257 474 N C 1.015 176.530 175.510 0.007 0.000 1.250 474 N CA 2.001 55.067 53.050 0.026 0.000 0.862 474 N CB 0.693 39.198 38.487 0.030 0.000 1.066 474 N HN 0.930 nan 8.380 nan 0.000 0.468 475 G N 0.955 109.740 108.800 -0.026 0.000 2.179 475 G HA2 -0.252 3.688 3.960 -0.034 0.000 0.260 475 G HA3 -0.252 3.688 3.960 -0.034 0.000 0.260 475 G C -0.005 174.856 174.900 -0.066 0.000 0.977 475 G CA 0.030 45.077 45.100 -0.089 0.000 0.641 475 G HN 0.551 nan 8.290 nan 0.000 0.533 476 I N 0.737 121.313 120.570 0.009 0.000 2.499 476 I HA 0.551 4.701 4.170 -0.034 0.000 0.288 476 I C -0.100 176.079 176.117 0.104 0.000 1.048 476 I CA -1.373 59.975 61.300 0.080 0.000 1.062 476 I CB 2.348 40.390 38.000 0.070 0.000 1.238 476 I HN 0.176 nan 8.210 nan 0.000 0.426 477 V N 1.013 121.016 119.914 0.149 0.000 2.531 477 V HA 0.524 4.624 4.120 -0.034 0.000 0.301 477 V C -0.472 175.726 176.094 0.175 0.000 1.034 477 V CA -0.808 61.563 62.300 0.119 0.000 0.865 477 V CB 1.637 33.513 31.823 0.088 0.000 0.995 477 V HN 0.503 nan 8.190 nan 0.000 0.424 478 D N 2.266 122.755 120.400 0.147 0.000 2.472 478 D HA 0.034 4.654 4.640 -0.034 0.000 0.237 478 D C 0.549 176.917 176.300 0.113 0.000 1.141 478 D CA 0.392 54.499 54.000 0.180 0.000 0.875 478 D CB 0.665 41.567 40.800 0.169 0.000 1.192 478 D HN 0.828 nan 8.370 nan 0.000 0.450 479 Y N 2.936 123.265 120.300 0.048 0.000 2.207 479 Y HA -0.226 4.304 4.550 -0.034 0.000 0.287 479 Y C 2.339 178.206 175.900 -0.055 0.000 1.156 479 Y CA 1.773 59.863 58.100 -0.016 0.000 1.182 479 Y CB 0.076 38.559 38.460 0.039 0.000 0.979 479 Y HN 0.395 nan 8.280 nan 0.000 0.521 480 R N 0.283 120.737 120.500 -0.076 0.000 2.103 480 R HA -0.291 4.029 4.340 -0.034 0.000 0.242 480 R C 2.433 178.554 176.300 -0.297 0.000 1.142 480 R CA 2.270 58.268 56.100 -0.170 0.000 0.960 480 R CB -0.418 29.873 30.300 -0.015 0.000 0.858 480 R HN 0.586 nan 8.270 nan 0.000 0.439 481 Q N 0.162 119.800 119.800 -0.269 0.000 2.172 481 Q HA -0.081 4.239 4.340 -0.034 0.000 0.200 481 Q C 2.118 177.749 176.000 -0.615 0.000 0.964 481 Q CA 1.213 56.768 55.803 -0.412 0.000 0.855 481 Q CB 0.026 28.579 28.738 -0.308 0.000 0.918 481 Q HN 0.449 nan 8.270 nan 0.000 0.444 482 I N 0.723 121.012 120.570 -0.468 0.000 2.127 482 I HA -0.306 3.844 4.170 -0.034 0.000 0.241 482 I C 2.438 178.213 176.117 -0.570 0.000 1.075 482 I CA 1.282 62.286 61.300 -0.494 0.000 1.334 482 I CB -0.507 37.084 38.000 -0.682 0.000 1.040 482 I HN 0.258 nan 8.210 nan 0.000 0.405 483 A N 0.732 123.158 122.820 -0.657 0.000 1.930 483 A HA -0.075 4.225 4.320 -0.034 0.000 0.217 483 A C 2.394 179.769 177.584 -0.348 0.000 1.175 483 A CA 1.843 53.601 52.037 -0.465 0.000 0.627 483 A CB -1.253 17.405 19.000 -0.569 0.000 0.815 483 A HN 0.493 nan 8.150 nan 0.000 0.443 484 G N -1.690 106.873 108.800 -0.395 0.000 2.453 484 G HA2 0.028 3.968 3.960 -0.034 0.000 0.215 484 G HA3 0.028 3.968 3.960 -0.034 0.000 0.215 484 G C 1.510 176.186 174.900 -0.375 0.000 1.147 484 G CA 0.898 45.809 45.100 -0.316 0.000 0.802 484 G HN 0.587 nan 8.290 nan 0.000 0.535 485 Q N -1.463 117.964 119.800 -0.622 0.000 2.342 485 Q HA 0.234 4.554 4.340 -0.034 0.000 0.261 485 Q C 0.518 176.097 176.000 -0.701 0.000 0.841 485 Q CA -0.065 55.307 55.803 -0.718 0.000 0.969 485 Q CB 0.670 28.745 28.738 -1.106 0.000 1.136 485 Q HN 0.428 nan 8.270 nan 0.000 0.528 486 F N -0.222 119.400 119.950 -0.547 0.000 2.708 486 F HA 0.386 4.894 4.527 -0.032 0.000 0.300 486 F C 0.647 176.083 175.800 -0.607 0.000 1.118 486 F CA 0.113 57.456 58.000 -1.096 0.000 1.307 486 F CB 0.442 38.507 39.000 -1.558 0.000 0.986 486 F HN -0.061 nan 8.300 nan 0.000 0.522 487 M N 0.406 119.927 119.600 -0.131 0.000 2.876 487 M HA 0.235 4.694 4.480 -0.034 0.000 0.367 487 M C -0.119 176.238 176.300 0.095 0.000 1.242 487 M CA -0.090 55.260 55.300 0.084 0.000 0.889 487 M CB 0.395 33.047 32.600 0.086 0.000 1.353 487 M HN 0.115 nan 8.290 nan 0.000 0.511 488 S N -2.392 113.399 115.700 0.152 0.000 2.672 488 S HA 0.911 5.360 4.470 -0.034 0.000 0.271 488 S C 0.232 174.999 174.600 0.277 0.000 1.171 488 S CA -0.104 58.194 58.200 0.162 0.000 0.817 488 S CB 1.239 64.484 63.200 0.076 0.000 1.150 488 S HN 0.599 nan 8.310 nan 0.000 0.478 489 G N 1.616 110.528 108.800 0.186 0.000 2.561 489 G HA2 -0.346 3.594 3.960 -0.034 0.000 0.289 489 G HA3 -0.346 3.594 3.960 -0.034 0.000 0.289 489 G C 0.557 175.539 174.900 0.136 0.000 1.169 489 G CA 0.753 45.950 45.100 0.162 0.000 0.980 489 G HN 1.175 nan 8.290 nan 0.000 0.550 490 E N -0.003 120.238 120.200 0.067 0.000 2.478 490 E HA 0.068 4.398 4.350 -0.034 0.000 0.194 490 E C 0.209 176.767 176.600 -0.071 0.000 1.045 490 E CA -0.441 55.923 56.400 -0.061 0.000 0.868 490 E CB 0.106 29.685 29.700 -0.203 0.000 0.885 490 E HN 0.433 nan 8.360 nan 0.000 0.505 491 W N 2.705 124.025 121.300 0.033 0.000 2.381 491 W HA 0.047 4.692 4.660 -0.026 0.000 0.321 491 W C 0.302 176.881 176.519 0.101 0.000 1.407 491 W CA -0.209 57.168 57.345 0.054 0.000 1.274 491 W CB 0.315 29.843 29.460 0.113 0.000 1.310 491 W HN 0.017 nan 8.180 nan 0.000 0.551 492 Q N 2.326 122.307 119.800 0.302 0.000 2.340 492 Q HA 0.204 4.524 4.340 -0.034 0.000 0.249 492 Q C -1.106 175.093 176.000 0.332 0.000 0.957 492 Q CA -0.466 55.502 55.803 0.274 0.000 0.882 492 Q CB 1.012 29.887 28.738 0.229 0.000 1.235 492 Q HN 0.457 nan 8.270 nan 0.000 0.439 493 Y N 0.648 121.039 120.300 0.151 0.000 2.350 493 Y HA 0.351 4.880 4.550 -0.034 0.000 0.338 493 Y C -1.018 174.875 175.900 -0.012 0.000 0.961 493 Y CA -0.418 57.751 58.100 0.115 0.000 1.100 493 Y CB 1.869 40.421 38.460 0.154 0.000 1.179 493 Y HN 0.532 nan 8.280 nan 0.000 0.454 494 T N 5.932 120.396 114.554 -0.149 0.000 2.881 494 T HA 0.218 4.548 4.350 -0.034 0.000 0.290 494 T C -1.868 172.774 174.700 -0.097 0.000 1.000 494 T CA -0.533 61.454 62.100 -0.187 0.000 0.978 494 T CB 0.792 69.290 68.868 -0.618 0.000 0.997 494 T HN 0.472 nan 8.240 nan 0.000 0.443 495 Y N 3.138 123.479 120.300 0.069 0.000 2.385 495 Y HA 0.335 4.865 4.550 -0.034 0.000 0.341 495 Y C 0.025 175.987 175.900 0.103 0.000 0.965 495 Y CA -0.954 57.199 58.100 0.088 0.000 1.180 495 Y CB 0.597 39.134 38.460 0.128 0.000 1.139 495 Y HN 0.528 nan 8.280 nan 0.000 0.502 496 D N 5.024 125.253 120.400 -0.285 0.000 2.352 496 D HA 0.163 4.782 4.640 -0.034 0.000 0.245 496 D C 0.527 176.657 176.300 -0.285 0.000 1.224 496 D CA 0.325 54.266 54.000 -0.098 0.000 0.879 496 D CB 1.431 42.267 40.800 0.061 0.000 1.057 496 D HN 0.772 nan 8.370 nan 0.000 0.491 497 A N 3.236 126.079 122.820 0.037 0.000 2.123 497 A HA -0.031 4.268 4.320 -0.034 0.000 0.214 497 A C 1.960 179.562 177.584 0.030 0.000 1.152 497 A CA 0.771 52.902 52.037 0.156 0.000 0.728 497 A CB 0.024 19.156 19.000 0.221 0.000 0.814 497 A HN 0.580 nan 8.150 nan 0.000 0.464 498 T N 0.031 114.565 114.554 -0.034 0.000 2.770 498 T HA 0.083 4.413 4.350 -0.034 0.000 0.258 498 T C 2.258 176.865 174.700 -0.155 0.000 1.039 498 T CA 1.341 63.395 62.100 -0.078 0.000 1.143 498 T CB -0.301 68.514 68.868 -0.089 0.000 0.866 498 T HN 0.513 nan 8.240 nan 0.000 0.428 499 A N 0.787 123.462 122.820 -0.242 0.000 2.014 499 A HA 0.024 4.324 4.320 -0.034 0.000 0.218 499 A C 0.575 177.966 177.584 -0.323 0.000 1.163 499 A CA 0.637 52.476 52.037 -0.331 0.000 0.652 499 A CB -0.150 18.545 19.000 -0.510 0.000 0.808 499 A HN 0.488 nan 8.150 nan 0.000 0.449 500 E N -1.731 118.279 120.200 -0.318 0.000 2.313 500 E HA -0.148 4.182 4.350 -0.034 0.000 0.190 500 E C -0.261 176.071 176.600 -0.446 0.000 1.406 500 E CA 0.848 57.096 56.400 -0.253 0.000 0.668 500 E CB -2.221 27.453 29.700 -0.043 0.000 1.135 500 E HN 1.313 nan 8.360 nan 0.000 0.375 501 A N 1.527 123.809 122.820 -0.896 0.000 2.512 501 A HA 0.627 4.926 4.320 -0.034 0.000 0.294 501 A C -2.792 174.353 177.584 -0.732 0.000 1.054 501 A CA -1.108 50.478 52.037 -0.751 0.000 0.756 501 A CB 1.954 20.348 19.000 -1.010 0.000 1.293 501 A HN 0.017 nan 8.150 nan 0.000 0.395 502 P HA 0.649 nan 4.420 nan 0.000 0.284 502 P C -1.486 175.622 177.300 -0.320 0.000 1.258 502 P CA -0.066 62.771 63.100 -0.439 0.000 0.824 502 P CB 0.841 32.205 31.700 -0.559 0.000 1.038 503 Y N -0.606 119.559 120.300 -0.225 0.000 2.552 503 Y HA 0.618 5.147 4.550 -0.036 0.000 0.337 503 Y C -1.205 174.782 175.900 0.145 0.000 1.094 503 Y CA -1.651 56.528 58.100 0.132 0.000 1.028 503 Y CB 0.744 39.436 38.460 0.386 0.000 1.321 503 Y HN 0.321 nan 8.280 nan 0.000 0.456 504 V N 0.451 120.622 119.914 0.430 0.000 2.715 504 V HA 0.821 4.920 4.120 -0.034 0.000 0.310 504 V C -1.539 174.929 176.094 0.623 0.000 1.054 504 V CA -0.930 61.595 62.300 0.376 0.000 0.928 504 V CB 2.011 33.989 31.823 0.258 0.000 1.007 504 V HN 0.905 nan 8.190 nan 0.000 0.437 505 F N 2.828 123.017 119.950 0.398 0.000 2.573 505 F HA 0.665 5.167 4.527 -0.042 0.000 0.316 505 F C -0.499 175.254 175.800 -0.079 0.000 1.148 505 F CA -1.049 57.043 58.000 0.154 0.000 0.940 505 F CB 2.128 41.137 39.000 0.015 0.000 1.214 505 F HN 0.746 nan 8.300 nan 0.000 0.448 506 K N 8.266 127.996 120.400 -1.116 0.000 2.334 506 K HA 0.470 4.770 4.320 -0.034 0.000 0.265 506 K C -2.299 173.541 176.600 -1.266 0.000 1.039 506 K CA -1.901 53.618 56.287 -1.280 0.000 0.920 506 K CB 1.655 33.074 32.500 -1.801 0.000 1.160 506 K HN 0.253 nan 8.250 nan 0.000 0.451 507 P HA -0.162 nan 4.420 nan 0.000 0.218 507 P C 0.882 177.959 177.300 -0.371 0.000 1.149 507 P CA 1.084 63.807 63.100 -0.628 0.000 0.817 507 P CB 0.242 31.839 31.700 -0.172 0.000 0.785 508 S N -1.550 113.943 115.700 -0.345 0.000 2.461 508 S HA -0.060 4.390 4.470 -0.034 0.000 0.228 508 S C 1.648 176.117 174.600 -0.218 0.000 1.005 508 S CA 1.552 59.617 58.200 -0.224 0.000 0.942 508 S CB -1.641 61.441 63.200 -0.197 0.000 0.776 508 S HN 0.264 nan 8.310 nan 0.000 0.514 509 T N -3.398 110.970 114.554 -0.311 0.000 3.010 509 T HA 0.518 4.848 4.350 -0.034 0.000 0.257 509 T C 1.461 176.034 174.700 -0.211 0.000 1.020 509 T CA 0.393 62.352 62.100 -0.235 0.000 0.938 509 T CB -0.042 68.675 68.868 -0.252 0.000 1.049 509 T HN 1.102 nan 8.240 nan 0.000 0.522 510 G N 2.188 110.804 108.800 -0.306 0.000 2.198 510 G HA2 -0.197 3.743 3.960 -0.034 0.000 0.260 510 G HA3 -0.197 3.743 3.960 -0.034 0.000 0.260 510 G C -0.538 174.313 174.900 -0.082 0.000 1.025 510 G CA 0.017 45.025 45.100 -0.153 0.000 0.769 510 G HN 0.587 nan 8.290 nan 0.000 0.507 511 D N -0.252 119.973 120.400 -0.291 0.000 2.312 511 D HA 0.483 5.103 4.640 -0.034 0.000 0.252 511 D C 0.162 176.551 176.300 0.147 0.000 1.150 511 D CA 0.021 53.980 54.000 -0.070 0.000 0.870 511 D CB 1.909 42.625 40.800 -0.140 0.000 1.153 511 D HN 0.248 nan 8.370 nan 0.000 0.457 512 L N 3.776 125.205 121.223 0.344 0.000 2.376 512 L HA 0.512 4.832 4.340 -0.034 0.000 0.275 512 L C -1.392 175.715 176.870 0.395 0.000 0.987 512 L CA -0.453 54.649 54.840 0.438 0.000 0.828 512 L CB 1.364 43.572 42.059 0.248 0.000 1.249 512 L HN 0.283 nan 8.230 nan 0.000 0.409 513 I N 3.608 124.402 120.570 0.374 0.000 2.498 513 I HA 0.435 4.585 4.170 -0.034 0.000 0.290 513 I C -0.408 176.013 176.117 0.507 0.000 1.032 513 I CA -0.512 60.962 61.300 0.289 0.000 1.073 513 I CB 2.284 40.335 38.000 0.085 0.000 1.251 513 I HN 0.606 nan 8.210 nan 0.000 0.426 514 T N 6.489 121.331 114.554 0.480 0.000 2.792 514 T HA 0.781 5.111 4.350 -0.034 0.000 0.280 514 T C -0.858 174.115 174.700 0.455 0.000 0.990 514 T CA -0.315 62.108 62.100 0.539 0.000 0.960 514 T CB 0.515 69.729 68.868 0.576 0.000 0.939 514 T HN 0.434 nan 8.240 nan 0.000 0.439 515 F N 1.187 121.230 119.950 0.154 0.000 2.789 515 F HA 0.766 5.271 4.527 -0.035 0.000 0.319 515 F C -1.181 174.646 175.800 0.045 0.000 1.168 515 F CA -1.452 56.581 58.000 0.055 0.000 0.934 515 F CB 0.428 39.495 39.000 0.113 0.000 1.375 515 F HN 0.257 nan 8.300 nan 0.000 0.480 516 D N 0.957 121.387 120.400 0.051 0.000 2.181 516 D HA 0.390 5.010 4.640 -0.034 0.000 0.248 516 D C -1.023 175.326 176.300 0.083 0.000 1.020 516 D CA 0.224 54.193 54.000 -0.051 0.000 0.891 516 D CB 1.740 42.493 40.800 -0.078 0.000 1.187 516 D HN 0.704 nan 8.370 nan 0.000 0.443 517 D N -0.930 119.504 120.400 0.057 0.000 2.687 517 D HA 0.411 5.030 4.640 -0.034 0.000 0.264 517 D C 0.639 176.977 176.300 0.064 0.000 1.091 517 D CA -0.718 53.394 54.000 0.188 0.000 1.123 517 D CB 0.354 41.435 40.800 0.469 0.000 1.407 517 D HN 0.197 nan 8.370 nan 0.000 0.591 518 A N -0.244 122.626 122.820 0.083 0.000 1.940 518 A HA -0.200 4.100 4.320 -0.034 0.000 0.219 518 A C 2.169 179.759 177.584 0.011 0.000 1.176 518 A CA 2.086 54.137 52.037 0.025 0.000 0.631 518 A CB -0.766 18.260 19.000 0.044 0.000 0.814 518 A HN 0.589 nan 8.150 nan 0.000 0.446 519 R N 0.117 120.621 120.500 0.006 0.000 2.073 519 R HA -0.111 4.208 4.340 -0.034 0.000 0.229 519 R C 2.457 178.779 176.300 0.038 0.000 1.120 519 R CA 1.834 57.879 56.100 -0.092 0.000 0.967 519 R CB -0.251 29.800 30.300 -0.416 0.000 0.862 519 R HN 0.659 nan 8.270 nan 0.000 0.436 520 S N -0.479 115.343 115.700 0.203 0.000 2.406 520 S HA -0.055 4.394 4.470 -0.034 0.000 0.228 520 S C 2.013 176.649 174.600 0.060 0.000 1.020 520 S CA 1.042 59.356 58.200 0.191 0.000 0.965 520 S CB -0.284 62.982 63.200 0.111 0.000 0.798 520 S HN 0.134 nan 8.310 nan 0.000 0.488 521 V N 2.381 122.309 119.914 0.022 0.000 2.343 521 V HA -0.209 3.891 4.120 -0.034 0.000 0.247 521 V C 2.957 179.055 176.094 0.006 0.000 1.051 521 V CA 2.183 64.479 62.300 -0.006 0.000 1.036 521 V CB -1.044 30.753 31.823 -0.043 0.000 0.654 521 V HN 0.618 nan 8.190 nan 0.000 0.451 522 Q N 0.085 119.888 119.800 0.005 0.000 2.096 522 Q HA -0.238 4.082 4.340 -0.034 0.000 0.204 522 Q C 2.231 178.249 176.000 0.031 0.000 0.982 522 Q CA 2.070 57.878 55.803 0.007 0.000 0.850 522 Q CB -0.276 28.457 28.738 -0.009 0.000 0.901 522 Q HN 0.635 nan 8.270 nan 0.000 0.422 523 A N 0.893 123.740 122.820 0.046 0.000 1.933 523 A HA -0.192 4.108 4.320 -0.034 0.000 0.218 523 A C 1.940 179.571 177.584 0.079 0.000 1.175 523 A CA 1.623 53.697 52.037 0.062 0.000 0.628 523 A CB -0.324 18.719 19.000 0.072 0.000 0.814 523 A HN 0.346 nan 8.150 nan 0.000 0.444 524 K N -0.802 119.636 120.400 0.062 0.000 2.097 524 K HA -0.064 4.236 4.320 -0.034 0.000 0.205 524 K C 2.112 178.807 176.600 0.159 0.000 1.050 524 K CA 1.012 57.361 56.287 0.103 0.000 0.938 524 K CB -0.362 32.173 32.500 0.058 0.000 0.718 524 K HN 0.464 nan 8.250 nan 0.000 0.442 525 G N 1.766 110.620 108.800 0.090 0.000 2.402 525 G HA2 -0.274 3.666 3.960 -0.034 0.000 0.216 525 G HA3 -0.274 3.666 3.960 -0.034 0.000 0.216 525 G C 1.401 176.345 174.900 0.073 0.000 1.162 525 G CA 0.652 45.793 45.100 0.068 0.000 0.777 525 G HN 0.220 nan 8.290 nan 0.000 0.539 526 K N -0.527 119.919 120.400 0.078 0.000 2.063 526 K HA -0.199 4.101 4.320 -0.034 0.000 0.208 526 K C 2.173 178.835 176.600 0.103 0.000 1.048 526 K CA 1.418 57.749 56.287 0.074 0.000 0.928 526 K CB -0.403 32.139 32.500 0.070 0.000 0.713 526 K HN 0.360 nan 8.250 nan 0.000 0.442 527 Y N 1.292 121.599 120.300 0.012 0.000 2.145 527 Y HA -0.222 4.308 4.550 -0.033 0.000 0.286 527 Y C 1.883 177.792 175.900 0.014 0.000 1.145 527 Y CA 1.504 59.611 58.100 0.012 0.000 1.148 527 Y CB -0.388 38.079 38.460 0.012 0.000 0.981 527 Y HN -0.144 nan 8.280 nan 0.000 0.507 528 V N 0.891 120.813 119.914 0.012 0.000 2.282 528 V HA -0.372 3.728 4.120 -0.034 0.000 0.249 528 V C 2.520 178.559 176.094 -0.092 0.000 1.057 528 V CA 2.293 64.548 62.300 -0.075 0.000 1.032 528 V CB -0.864 30.983 31.823 0.040 0.000 0.645 528 V HN 0.490 nan 8.190 nan 0.000 0.447 529 L N -0.443 120.759 121.223 -0.036 0.000 2.056 529 L HA -0.166 4.154 4.340 -0.034 0.000 0.207 529 L C 2.382 179.220 176.870 -0.055 0.000 1.078 529 L CA 1.543 56.364 54.840 -0.030 0.000 0.749 529 L CB -0.819 41.239 42.059 -0.002 0.000 0.901 529 L HN 0.336 nan 8.230 nan 0.000 0.433 530 D N 0.199 120.559 120.400 -0.067 0.000 2.117 530 D HA -0.136 4.484 4.640 -0.034 0.000 0.197 530 D C 1.953 178.182 176.300 -0.119 0.000 0.987 530 D CA 1.162 55.120 54.000 -0.070 0.000 0.829 530 D CB -0.006 40.770 40.800 -0.041 0.000 0.961 530 D HN 0.135 nan 8.370 nan 0.000 0.460 531 K N 0.320 120.584 120.400 -0.226 0.000 2.404 531 K HA 0.118 4.418 4.320 -0.034 0.000 0.194 531 K C 0.184 176.684 176.600 -0.165 0.000 1.023 531 K CA -0.019 56.120 56.287 -0.247 0.000 1.094 531 K CB 0.449 32.656 32.500 -0.489 0.000 0.841 531 K HN 0.225 nan 8.250 nan 0.000 0.523 532 Q N 0.669 120.395 119.800 -0.122 0.000 2.487 532 Q HA -0.175 4.145 4.340 -0.034 0.000 0.279 532 Q C -0.439 175.523 176.000 -0.065 0.000 1.228 532 Q CA 0.287 56.047 55.803 -0.070 0.000 0.873 532 Q CB -1.978 26.730 28.738 -0.050 0.000 1.260 532 Q HN 0.293 nan 8.270 nan 0.000 0.471 533 L N -1.771 119.400 121.223 -0.087 0.000 2.490 533 L HA 0.289 4.609 4.340 -0.034 0.000 0.245 533 L C 1.798 178.666 176.870 -0.003 0.000 1.185 533 L CA 0.553 55.363 54.840 -0.050 0.000 0.813 533 L CB 0.089 42.109 42.059 -0.065 0.000 1.233 533 L HN 0.268 nan 8.230 nan 0.000 0.489 534 G N -1.415 107.401 108.800 0.027 0.000 2.551 534 G HA2 0.427 4.367 3.960 -0.034 0.000 0.216 534 G HA3 0.427 4.367 3.960 -0.034 0.000 0.216 534 G C 0.478 175.411 174.900 0.055 0.000 1.137 534 G CA 0.703 45.834 45.100 0.052 0.000 0.798 534 G HN 0.944 nan 8.290 nan 0.000 0.536 535 G N -1.166 107.677 108.800 0.072 0.000 2.356 535 G HA2 0.295 4.235 3.960 -0.034 0.000 0.266 535 G HA3 0.295 4.235 3.960 -0.034 0.000 0.266 535 G C -1.782 173.206 174.900 0.146 0.000 1.312 535 G CA -0.883 44.270 45.100 0.088 0.000 0.922 535 G HN 0.382 nan 8.290 nan 0.000 0.480 536 L N 0.316 121.634 121.223 0.159 0.000 2.370 536 L HA 0.868 5.188 4.340 -0.034 0.000 0.266 536 L C -0.442 176.598 176.870 0.283 0.000 1.002 536 L CA -0.956 53.996 54.840 0.186 0.000 0.818 536 L CB 2.099 44.207 42.059 0.081 0.000 1.325 536 L HN 0.826 nan 8.230 nan 0.000 0.418 537 F N 0.074 120.116 119.950 0.154 0.000 2.650 537 F HA 0.913 5.420 4.527 -0.033 0.000 0.320 537 F C -0.722 175.196 175.800 0.197 0.000 1.091 537 F CA -0.938 57.137 58.000 0.124 0.000 0.962 537 F CB 1.803 40.821 39.000 0.031 0.000 1.363 537 F HN 0.394 nan 8.300 nan 0.000 0.482 538 S N 0.749 116.476 115.700 0.045 0.000 2.546 538 S HA 0.527 4.977 4.470 -0.034 0.000 0.274 538 S C -2.134 172.661 174.600 0.324 0.000 1.121 538 S CA -0.612 57.605 58.200 0.028 0.000 0.887 538 S CB 1.962 65.169 63.200 0.012 0.000 1.094 538 S HN 1.149 nan 8.310 nan 0.000 0.474 539 W N 3.448 124.757 121.300 0.014 0.000 2.656 539 W HA 0.521 5.160 4.660 -0.034 0.000 0.327 539 W C -1.187 175.339 176.519 0.011 0.000 1.041 539 W CA -0.522 56.818 57.345 -0.010 0.000 1.229 539 W CB 1.801 31.122 29.460 -0.230 0.000 1.397 539 W HN 1.062 nan 8.180 nan 0.000 0.479 540 E N 3.950 123.872 120.200 -0.463 0.000 2.312 540 E HA 0.282 4.612 4.350 -0.034 0.000 0.267 540 E C 0.057 176.346 176.600 -0.519 0.000 0.894 540 E CA -0.843 55.011 56.400 -0.909 0.000 0.773 540 E CB 2.559 31.231 29.700 -1.713 0.000 1.241 540 E HN 0.274 nan 8.360 nan 0.000 0.432 541 I N 1.891 122.190 120.570 -0.452 0.000 2.493 541 I HA -0.223 3.927 4.170 -0.034 0.000 0.254 541 I C 1.636 177.345 176.117 -0.680 0.000 1.160 541 I CA 1.595 62.689 61.300 -0.345 0.000 1.445 541 I CB -0.426 37.501 38.000 -0.121 0.000 1.086 541 I HN 0.730 nan 8.210 nan 0.000 0.433 542 D N 0.284 120.043 120.400 -1.070 0.000 2.310 542 D HA -0.129 4.491 4.640 -0.034 0.000 0.212 542 D C 1.737 177.607 176.300 -0.717 0.000 0.965 542 D CA 1.073 54.075 54.000 -1.663 0.000 0.879 542 D CB -0.084 39.977 40.800 -1.232 0.000 0.921 542 D HN 0.442 nan 8.370 nan 0.000 0.510 543 A N 0.338 122.927 122.820 -0.386 0.000 2.195 543 A HA 0.028 4.328 4.320 -0.034 0.000 0.210 543 A C 0.829 178.432 177.584 0.032 0.000 1.165 543 A CA -0.025 51.962 52.037 -0.084 0.000 0.806 543 A CB 0.003 19.011 19.000 0.013 0.000 0.847 543 A HN 0.089 nan 8.150 nan 0.000 0.482 544 D N 0.144 120.533 120.400 -0.018 0.000 2.313 544 D HA 0.168 4.788 4.640 -0.034 0.000 0.247 544 D C 0.723 177.113 176.300 0.151 0.000 1.094 544 D CA 0.009 54.079 54.000 0.117 0.000 0.925 544 D CB 0.652 41.468 40.800 0.027 0.000 1.188 544 D HN 0.277 nan 8.370 nan 0.000 0.430 545 N N 1.432 120.278 118.700 0.244 0.000 2.236 545 N HA 0.183 4.902 4.740 -0.034 0.000 0.196 545 N C 1.098 176.702 175.510 0.157 0.000 1.114 545 N CA 0.510 53.662 53.050 0.171 0.000 0.859 545 N CB 0.966 39.532 38.487 0.131 0.000 0.982 545 N HN 0.542 nan 8.380 nan 0.000 0.493 546 G N 0.112 109.003 108.800 0.151 0.000 2.428 546 G HA2 -0.244 3.696 3.960 -0.034 0.000 0.199 546 G HA3 -0.244 3.696 3.960 -0.034 0.000 0.199 546 G C 0.577 175.541 174.900 0.107 0.000 1.005 546 G CA 0.224 45.396 45.100 0.121 0.000 0.671 546 G HN 0.262 nan 8.290 nan 0.000 0.485 547 D N 0.809 121.295 120.400 0.144 0.000 2.144 547 D HA -0.001 4.619 4.640 -0.034 0.000 0.199 547 D C 2.561 178.849 176.300 -0.020 0.000 0.984 547 D CA 0.995 55.062 54.000 0.112 0.000 0.834 547 D CB 0.013 40.963 40.800 0.250 0.000 0.955 547 D HN 0.397 nan 8.370 nan 0.000 0.465 548 I N 0.299 120.792 120.570 -0.128 0.000 2.277 548 I HA -0.130 4.019 4.170 -0.034 0.000 0.243 548 I C 2.344 178.402 176.117 -0.099 0.000 1.094 548 I CA 0.492 61.678 61.300 -0.189 0.000 1.393 548 I CB -0.949 36.881 38.000 -0.283 0.000 1.078 548 I HN 0.043 nan 8.210 nan 0.000 0.417 549 L N 1.545 122.735 121.223 -0.056 0.000 2.093 549 L HA -0.123 4.197 4.340 -0.034 0.000 0.208 549 L C 2.088 178.908 176.870 -0.084 0.000 1.085 549 L CA 1.668 56.480 54.840 -0.047 0.000 0.755 549 L CB -0.892 41.166 42.059 -0.002 0.000 0.904 549 L HN 0.169 nan 8.230 nan 0.000 0.435 550 N N -0.856 117.828 118.700 -0.027 0.000 2.104 550 N HA -0.204 4.516 4.740 -0.034 0.000 0.190 550 N C 2.080 177.471 175.510 -0.199 0.000 1.024 550 N CA 1.576 54.596 53.050 -0.048 0.000 0.853 550 N CB -0.558 38.011 38.487 0.136 0.000 1.008 550 N HN 0.408 nan 8.380 nan 0.000 0.424 551 S N 0.160 115.800 115.700 -0.101 0.000 2.383 551 S HA 0.030 4.480 4.470 -0.034 0.000 0.227 551 S C 1.930 176.452 174.600 -0.129 0.000 1.026 551 S CA 0.685 58.828 58.200 -0.095 0.000 0.981 551 S CB -0.050 63.120 63.200 -0.051 0.000 0.818 551 S HN 0.199 nan 8.310 nan 0.000 0.472 552 M N 1.386 120.908 119.600 -0.130 0.000 2.080 552 M HA -0.114 4.346 4.480 -0.034 0.000 0.260 552 M C 2.180 178.384 176.300 -0.161 0.000 1.068 552 M CA 1.466 56.702 55.300 -0.106 0.000 1.109 552 M CB -0.560 31.995 32.600 -0.074 0.000 1.342 552 M HN 0.339 nan 8.290 nan 0.000 0.405 553 N N 0.440 118.956 118.700 -0.307 0.000 2.084 553 N HA -0.106 4.614 4.740 -0.034 0.000 0.190 553 N C 1.774 177.025 175.510 -0.432 0.000 1.030 553 N CA 1.770 54.549 53.050 -0.451 0.000 0.849 553 N CB -0.196 37.741 38.487 -0.918 0.000 1.012 553 N HN 0.326 nan 8.380 nan 0.000 0.423 554 A N 1.066 123.584 122.820 -0.505 0.000 1.902 554 A HA -0.136 4.164 4.320 -0.034 0.000 0.217 554 A C 2.389 179.934 177.584 -0.063 0.000 1.181 554 A CA 2.087 54.024 52.037 -0.167 0.000 0.623 554 A CB -0.713 18.266 19.000 -0.035 0.000 0.818 554 A HN 0.476 nan 8.150 nan 0.000 0.443 555 S N -0.486 115.171 115.700 -0.073 0.000 2.481 555 S HA 0.063 4.513 4.470 -0.034 0.000 0.231 555 S C 1.514 176.109 174.600 -0.009 0.000 0.996 555 S CA 1.082 59.268 58.200 -0.023 0.000 0.942 555 S CB -0.458 62.732 63.200 -0.016 0.000 0.768 555 S HN 0.421 nan 8.310 nan 0.000 0.520 556 L N 0.794 122.003 121.223 -0.024 0.000 2.591 556 L HA 0.344 4.664 4.340 -0.034 0.000 0.228 556 L C 1.782 178.657 176.870 0.009 0.000 1.133 556 L CA 0.399 55.238 54.840 -0.002 0.000 0.880 556 L CB -0.342 41.716 42.059 -0.001 0.000 1.033 556 L HN 0.601 nan 8.230 nan 0.000 0.450 557 G N -0.363 108.443 108.800 0.010 0.000 2.141 557 G HA2 -0.238 3.702 3.960 -0.034 0.000 0.231 557 G HA3 -0.238 3.702 3.960 -0.034 0.000 0.231 557 G C -0.007 174.927 174.900 0.057 0.000 0.984 557 G CA -0.433 44.687 45.100 0.035 0.000 0.660 557 G HN 0.305 nan 8.290 nan 0.000 0.525 558 N N 1.223 119.959 118.700 0.059 0.000 2.483 558 N HA 0.383 5.103 4.740 -0.034 0.000 0.264 558 N C 0.462 176.109 175.510 0.228 0.000 1.197 558 N CA 0.433 53.556 53.050 0.122 0.000 0.927 558 N CB 1.050 39.600 38.487 0.105 0.000 1.065 558 N HN 0.275 nan 8.380 nan 0.000 0.461 559 S N 0.967 116.769 115.700 0.169 0.000 2.549 559 S HA 0.312 4.761 4.470 -0.034 0.000 0.279 559 S C 0.529 175.196 174.600 0.113 0.000 1.321 559 S CA -0.877 57.402 58.200 0.131 0.000 1.054 559 S CB 0.683 63.922 63.200 0.066 0.000 0.899 559 S HN 0.644 nan 8.310 nan 0.000 0.497 560 A N 2.801 125.620 122.820 -0.002 0.000 2.561 560 A HA 0.544 4.844 4.320 -0.034 0.000 0.234 560 A C 1.096 178.579 177.584 -0.168 0.000 1.055 560 A CA 0.614 52.481 52.037 -0.284 0.000 0.756 560 A CB -0.804 18.049 19.000 -0.243 0.000 0.986 560 A HN 1.612 nan 8.150 nan 0.000 0.505 561 G N -0.601 108.075 108.800 -0.206 0.000 2.343 561 G HA2 0.363 4.303 3.960 -0.034 0.000 0.562 561 G HA3 0.363 4.303 3.960 -0.034 0.000 0.562 561 G C -0.974 173.894 174.900 -0.054 0.000 1.269 561 G CA -0.345 44.693 45.100 -0.103 0.000 1.011 561 G HN 1.604 nan 8.290 nan 0.000 0.498 562 V N 1.422 121.322 119.914 -0.024 0.000 2.864 562 V HA 0.752 4.852 4.120 -0.034 0.000 0.314 562 V C 0.451 176.552 176.094 0.011 0.000 1.073 562 V CA -0.145 62.157 62.300 0.003 0.000 0.956 562 V CB 1.652 33.477 31.823 0.002 0.000 1.023 562 V HN 1.166 nan 8.190 nan 0.000 0.435 563 Q N 0.000 119.815 119.800 0.025 0.000 2.315 563 Q HA 0.000 4.320 4.340 -0.034 0.000 0.214 563 Q CA 0.000 55.814 55.803 0.019 0.000 1.022 563 Q CB 0.000 28.753 28.738 0.025 0.000 1.108 563 Q HN 0.000 nan 8.270 nan 0.000 0.481