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 1ffq_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 -0.004 0.000 1.274 24 A CA 0.000 52.036 52.037 -0.002 0.000 0.836 24 A CB 0.000 19.001 19.000 0.002 0.000 0.831 25 A N 1.331 124.148 122.820 -0.006 0.000 2.387 25 A HA 0.656 4.956 4.320 -0.034 0.000 0.251 25 A C -2.258 175.322 177.584 -0.007 0.000 1.113 25 A CA -0.527 51.504 52.037 -0.010 0.000 0.794 25 A CB -0.829 18.164 19.000 -0.013 0.000 1.069 25 A HN 0.561 nan 8.150 nan 0.000 0.506 26 P HA 0.324 nan 4.420 nan 0.000 0.275 26 P C 0.484 177.783 177.300 -0.001 0.000 1.266 26 P CA 0.145 63.241 63.100 -0.006 0.000 0.793 26 P CB 0.328 32.019 31.700 -0.016 0.000 1.074 27 G N 0.225 109.030 108.800 0.008 0.000 2.664 27 G HA2 0.080 4.019 3.960 -0.034 0.000 0.242 27 G HA3 0.080 4.019 3.960 -0.034 0.000 0.242 27 G C -0.470 174.435 174.900 0.009 0.000 1.225 27 G CA -0.298 44.813 45.100 0.018 0.000 0.849 27 G HN 0.414 nan 8.290 nan 0.000 0.581 28 K N 1.950 122.362 120.400 0.021 0.000 2.316 28 K HA 0.236 4.536 4.320 -0.034 0.000 0.289 28 K C -1.936 174.681 176.600 0.029 0.000 1.070 28 K CA -1.500 54.795 56.287 0.013 0.000 0.928 28 K CB 0.831 33.344 32.500 0.022 0.000 1.039 28 K HN 0.232 nan 8.250 nan 0.000 0.480 29 P HA 0.066 nan 4.420 nan 0.000 0.274 29 P C -0.976 176.356 177.300 0.054 0.000 1.231 29 P CA -0.321 62.793 63.100 0.024 0.000 0.790 29 P CB 0.972 32.638 31.700 -0.057 0.000 0.951 30 T N 2.911 117.526 114.554 0.101 0.000 2.770 30 T HA 0.397 4.726 4.350 -0.034 0.000 0.283 30 T C 0.620 175.368 174.700 0.079 0.000 0.988 30 T CA -0.453 61.711 62.100 0.106 0.000 0.957 30 T CB 0.127 69.150 68.868 0.258 0.000 0.930 30 T HN 0.223 nan 8.240 nan 0.000 0.443 31 I N 2.933 123.507 120.570 0.006 0.000 2.683 31 I HA 0.172 4.321 4.170 -0.034 0.000 0.286 31 I C 1.171 177.230 176.117 -0.097 0.000 1.175 31 I CA -0.359 60.944 61.300 0.004 0.000 1.429 31 I CB 0.362 38.342 38.000 -0.033 0.000 1.371 31 I HN 0.642 nan 8.210 nan 0.000 0.569 32 A N 7.091 129.903 122.820 -0.013 0.000 2.425 32 A HA 0.157 4.457 4.320 -0.034 0.000 0.249 32 A C -0.709 176.843 177.584 -0.053 0.000 1.084 32 A CA -0.340 51.679 52.037 -0.029 0.000 0.781 32 A CB 0.085 19.103 19.000 0.030 0.000 1.019 32 A HN 0.687 nan 8.150 nan 0.000 0.490 33 W N 1.128 122.487 121.300 0.098 0.000 2.257 33 W HA 0.416 5.056 4.660 -0.034 0.000 0.337 33 W C 0.927 177.485 176.519 0.064 0.000 1.321 33 W CA 1.627 59.018 57.345 0.076 0.000 1.267 33 W CB 0.543 30.043 29.460 0.066 0.000 1.187 33 W HN 1.070 nan 8.180 nan 0.000 0.565 34 G N 1.711 110.697 108.800 0.311 0.000 2.338 34 G HA2 0.111 4.051 3.960 -0.034 0.000 0.295 34 G HA3 0.111 4.051 3.960 -0.034 0.000 0.295 34 G C -1.536 173.446 174.900 0.137 0.000 1.461 34 G CA -1.464 43.750 45.100 0.189 0.000 0.817 34 G HN 0.430 nan 8.290 nan 0.000 0.556 35 N N -0.311 118.431 118.700 0.071 0.000 2.357 35 N HA 0.233 4.952 4.740 -0.034 0.000 0.257 35 N C 1.334 176.759 175.510 -0.141 0.000 1.250 35 N CA 1.179 54.186 53.050 -0.072 0.000 0.862 35 N CB 0.873 39.263 38.487 -0.161 0.000 1.066 35 N HN 0.733 nan 8.380 nan 0.000 0.468 36 T N -0.483 113.940 114.554 -0.218 0.000 3.084 36 T HA 0.260 4.589 4.350 -0.034 0.000 0.270 36 T C -0.055 174.415 174.700 -0.383 0.000 1.008 36 T CA -0.278 61.740 62.100 -0.137 0.000 0.900 36 T CB -0.113 68.778 68.868 0.038 0.000 1.084 36 T HN 0.370 nan 8.240 nan 0.000 0.538 37 K N 1.163 121.106 120.400 -0.762 0.000 2.358 37 K HA 0.666 4.966 4.320 -0.034 0.000 0.260 37 K C -1.584 174.474 176.600 -0.903 0.000 0.956 37 K CA -0.616 55.307 56.287 -0.607 0.000 0.834 37 K CB 1.456 33.690 32.500 -0.444 0.000 1.102 37 K HN 0.121 nan 8.250 nan 0.000 0.431 38 F N 0.604 120.473 119.950 -0.134 0.000 2.629 38 F HA 0.701 5.208 4.527 -0.034 0.000 0.316 38 F C -0.445 175.263 175.800 -0.155 0.000 1.081 38 F CA -1.040 56.877 58.000 -0.137 0.000 0.954 38 F CB 2.049 40.978 39.000 -0.119 0.000 1.337 38 F HN 0.469 nan 8.300 nan 0.000 0.474 39 A N 0.963 123.827 122.820 0.072 0.000 2.455 39 A HA 0.692 4.992 4.320 -0.034 0.000 0.300 39 A C -0.135 177.468 177.584 0.033 0.000 1.040 39 A CA -0.499 51.526 52.037 -0.021 0.000 0.697 39 A CB 0.937 19.860 19.000 -0.127 0.000 1.265 39 A HN 0.784 nan 8.150 nan 0.000 0.407 40 I N 0.968 121.570 120.570 0.054 0.000 2.400 40 I HA -0.019 4.130 4.170 -0.034 0.000 0.248 40 I C 0.123 176.257 176.117 0.029 0.000 1.109 40 I CA 1.057 62.381 61.300 0.040 0.000 1.425 40 I CB 0.270 38.299 38.000 0.048 0.000 1.094 40 I HN 0.345 nan 8.210 nan 0.000 0.425 41 V N 2.577 122.536 119.914 0.076 0.000 2.311 41 V HA 0.182 4.281 4.120 -0.034 0.000 0.275 41 V C -0.165 176.007 176.094 0.130 0.000 1.022 41 V CA -0.528 61.798 62.300 0.045 0.000 0.830 41 V CB 0.823 32.615 31.823 -0.051 0.000 1.012 41 V HN 0.189 nan 8.190 nan 0.000 0.452 42 E N 2.997 123.226 120.200 0.049 0.000 2.313 42 E HA 0.529 4.859 4.350 -0.034 0.000 0.272 42 E C -0.963 175.683 176.600 0.077 0.000 1.038 42 E CA -0.463 55.963 56.400 0.043 0.000 0.863 42 E CB 2.139 31.847 29.700 0.014 0.000 1.060 42 E HN 0.426 nan 8.360 nan 0.000 0.402 43 V N 2.744 122.703 119.914 0.075 0.000 2.409 43 V HA 0.089 4.189 4.120 -0.034 0.000 0.291 43 V C -0.462 175.677 176.094 0.075 0.000 1.020 43 V CA -0.834 61.535 62.300 0.115 0.000 0.848 43 V CB 1.683 33.608 31.823 0.171 0.000 0.990 43 V HN 0.636 nan 8.190 nan 0.000 0.430 44 D N 4.000 124.445 120.400 0.074 0.000 2.317 44 D HA 0.141 4.760 4.640 -0.034 0.000 0.252 44 D C 0.889 177.240 176.300 0.086 0.000 1.174 44 D CA -0.102 53.937 54.000 0.066 0.000 0.866 44 D CB 1.610 42.440 40.800 0.051 0.000 1.127 44 D HN 0.437 nan 8.370 nan 0.000 0.467 45 Q N 2.351 122.204 119.800 0.089 0.000 2.472 45 Q HA 0.068 4.387 4.340 -0.034 0.000 0.208 45 Q C 0.162 176.221 176.000 0.097 0.000 0.958 45 Q CA 0.409 56.276 55.803 0.106 0.000 0.932 45 Q CB 0.484 29.294 28.738 0.120 0.000 1.007 45 Q HN 0.518 nan 8.270 nan 0.000 0.508 46 A N 0.196 123.064 122.820 0.079 0.000 3.214 46 A HA 0.670 4.969 4.320 -0.034 0.000 0.304 46 A C -0.394 177.229 177.584 0.064 0.000 0.969 46 A CA -0.132 51.945 52.037 0.067 0.000 0.986 46 A CB 0.207 19.237 19.000 0.050 0.000 1.073 46 A HN 0.076 nan 8.150 nan 0.000 0.487 47 A N -0.364 122.504 122.820 0.079 0.000 2.454 47 A HA 0.777 5.076 4.320 -0.034 0.000 0.302 47 A C 0.643 178.285 177.584 0.097 0.000 1.079 47 A CA 0.214 52.298 52.037 0.077 0.000 0.731 47 A CB 1.005 20.049 19.000 0.074 0.000 1.299 47 A HN 0.924 nan 8.150 nan 0.000 0.413 48 T N -1.957 112.653 114.554 0.093 0.000 2.975 48 T HA 0.528 4.857 4.350 -0.034 0.000 0.261 48 T C 0.676 175.451 174.700 0.125 0.000 0.984 48 T CA 0.801 62.967 62.100 0.110 0.000 0.911 48 T CB -0.017 68.902 68.868 0.085 0.000 1.127 48 T HN 1.526 nan 8.240 nan 0.000 0.514 49 A N 0.900 123.787 122.820 0.112 0.000 2.309 49 A HA 0.603 4.903 4.320 -0.034 0.000 0.298 49 A C 0.709 178.401 177.584 0.180 0.000 1.165 49 A CA -0.687 51.429 52.037 0.133 0.000 0.821 49 A CB 0.238 19.294 19.000 0.093 0.000 1.102 49 A HN 0.303 nan 8.150 nan 0.000 0.500 50 Y N 2.891 123.255 120.300 0.107 0.000 2.151 50 Y HA -0.278 4.251 4.550 -0.034 0.000 0.284 50 Y C 1.876 177.854 175.900 0.130 0.000 1.166 50 Y CA 2.743 60.930 58.100 0.146 0.000 1.163 50 Y CB -0.104 38.456 38.460 0.167 0.000 0.974 50 Y HN 0.785 nan 8.280 nan 0.000 0.511 51 N N 0.357 119.097 118.700 0.067 0.000 2.205 51 N HA -0.176 4.544 4.740 -0.034 0.000 0.186 51 N C 1.156 176.634 175.510 -0.053 0.000 1.015 51 N CA 1.777 54.812 53.050 -0.025 0.000 0.862 51 N CB -0.525 37.987 38.487 0.042 0.000 0.986 51 N HN 0.608 nan 8.380 nan 0.000 0.429 52 N N -0.520 118.175 118.700 -0.009 0.000 2.405 52 N HA 0.046 4.765 4.740 -0.034 0.000 0.175 52 N C 1.391 176.900 175.510 -0.001 0.000 1.051 52 N CA -0.125 52.925 53.050 0.000 0.000 0.899 52 N CB 0.211 38.716 38.487 0.029 0.000 1.000 52 N HN 0.017 nan 8.380 nan 0.000 0.451 53 L N 0.753 121.974 121.223 -0.002 0.000 2.093 53 L HA 0.085 4.405 4.340 -0.034 0.000 0.208 53 L C 0.092 176.978 176.870 0.027 0.000 1.085 53 L CA 1.159 56.026 54.840 0.046 0.000 0.755 53 L CB 0.179 42.305 42.059 0.112 0.000 0.904 53 L HN -0.177 nan 8.230 nan 0.000 0.435 54 V N 0.452 120.316 119.914 -0.082 0.000 2.495 54 V HA 0.358 4.457 4.120 -0.034 0.000 0.298 54 V C -0.283 175.741 176.094 -0.118 0.000 1.031 54 V CA -0.806 61.441 62.300 -0.088 0.000 0.871 54 V CB 1.499 33.194 31.823 -0.214 0.000 0.988 54 V HN 0.143 nan 8.190 nan 0.000 0.432 55 K N 3.895 124.247 120.400 -0.079 0.000 2.559 55 K HA 0.554 4.854 4.320 -0.034 0.000 0.249 55 K C -1.336 175.210 176.600 -0.089 0.000 0.958 55 K CA -0.500 55.739 56.287 -0.080 0.000 0.901 55 K CB 1.840 34.316 32.500 -0.041 0.000 1.124 55 K HN 0.500 nan 8.250 nan 0.000 0.437 56 V N 5.224 125.063 119.914 -0.125 0.000 2.470 56 V HA 0.128 4.228 4.120 -0.034 0.000 0.276 56 V C 0.063 176.114 176.094 -0.071 0.000 1.040 56 V CA -0.021 62.207 62.300 -0.121 0.000 1.008 56 V CB 0.507 32.238 31.823 -0.154 0.000 0.990 56 V HN 0.723 nan 8.190 nan 0.000 0.477 57 K N 3.422 123.793 120.400 -0.049 0.000 2.211 57 K HA 0.436 4.735 4.320 -0.034 0.000 0.237 57 K C 0.449 177.032 176.600 -0.027 0.000 1.002 57 K CA -0.740 55.527 56.287 -0.032 0.000 0.885 57 K CB 1.067 33.554 32.500 -0.022 0.000 1.136 57 K HN 0.389 nan 8.250 nan 0.000 0.448 58 N N -0.246 118.442 118.700 -0.019 0.000 2.457 58 N HA 0.024 4.743 4.740 -0.034 0.000 0.180 58 N C -0.712 174.796 175.510 -0.004 0.000 1.050 58 N CA 0.373 53.417 53.050 -0.011 0.000 0.906 58 N CB 0.495 38.978 38.487 -0.007 0.000 0.968 58 N HN 0.523 nan 8.380 nan 0.000 0.445 59 A N -0.540 122.275 122.820 -0.008 0.000 2.604 59 A HA 0.766 5.066 4.320 -0.034 0.000 0.295 59 A C -1.367 176.202 177.584 -0.024 0.000 1.067 59 A CA -0.806 51.226 52.037 -0.008 0.000 0.683 59 A CB 0.790 19.786 19.000 -0.007 0.000 1.281 59 A HN 0.076 nan 8.150 nan 0.000 0.407 60 A N 1.122 123.923 122.820 -0.033 0.000 2.401 60 A HA 0.537 4.836 4.320 -0.034 0.000 0.259 60 A C -0.468 177.020 177.584 -0.160 0.000 1.103 60 A CA -0.312 51.692 52.037 -0.055 0.000 0.789 60 A CB -0.030 18.957 19.000 -0.022 0.000 1.035 60 A HN 0.644 nan 8.150 nan 0.000 0.491 61 D N 2.359 122.671 120.400 -0.147 0.000 2.344 61 D HA 0.306 4.926 4.640 -0.034 0.000 0.253 61 D C -0.313 175.657 176.300 -0.550 0.000 1.255 61 D CA 0.433 54.281 54.000 -0.252 0.000 0.894 61 D CB 1.110 41.826 40.800 -0.140 0.000 1.067 61 D HN 0.151 nan 8.370 nan 0.000 0.492 62 V N 1.964 121.306 119.914 -0.953 0.000 2.630 62 V HA 0.451 4.551 4.120 -0.034 0.000 0.305 62 V C 0.328 175.662 176.094 -1.266 0.000 1.046 62 V CA -0.564 60.728 62.300 -1.681 0.000 0.934 62 V CB 1.976 32.768 31.823 -1.717 0.000 1.003 62 V HN 0.632 nan 8.190 nan 0.000 0.451 63 S N 2.708 117.894 115.700 -0.856 0.000 2.548 63 S HA 0.910 5.360 4.470 -0.034 0.000 0.286 63 S C -1.193 173.329 174.600 -0.130 0.000 1.098 63 S CA -0.707 57.265 58.200 -0.380 0.000 0.930 63 S CB 1.995 65.107 63.200 -0.148 0.000 1.070 63 S HN 0.469 nan 8.310 nan 0.000 0.480 64 V N 1.438 121.336 119.914 -0.028 0.000 2.888 64 V HA 0.744 4.844 4.120 -0.034 0.000 0.309 64 V C -0.437 175.716 176.094 0.099 0.000 1.114 64 V CA -0.523 61.840 62.300 0.105 0.000 0.940 64 V CB 2.226 34.172 31.823 0.204 0.000 1.021 64 V HN 1.039 nan 8.190 nan 0.000 0.426 65 S N 2.213 117.968 115.700 0.091 0.000 2.634 65 S HA 0.881 5.330 4.470 -0.034 0.000 0.296 65 S C -1.496 173.176 174.600 0.120 0.000 1.104 65 S CA -0.647 57.509 58.200 -0.073 0.000 0.920 65 S CB 2.034 65.126 63.200 -0.181 0.000 1.111 65 S HN 0.857 nan 8.310 nan 0.000 0.493 66 W N 0.503 121.751 121.300 -0.088 0.000 3.118 66 W HA 0.728 5.367 4.660 -0.034 0.000 0.328 66 W C -1.431 175.003 176.519 -0.143 0.000 1.239 66 W CA -0.621 56.665 57.345 -0.097 0.000 1.176 66 W CB 0.668 30.075 29.460 -0.088 0.000 1.433 66 W HN 0.336 nan 8.180 nan 0.000 0.562 67 N N 1.577 120.262 118.700 -0.025 0.000 2.272 67 N HA 0.562 5.282 4.740 -0.034 0.000 0.305 67 N C -2.059 173.276 175.510 -0.291 0.000 1.103 67 N CA -0.758 52.096 53.050 -0.326 0.000 0.791 67 N CB 2.507 40.595 38.487 -0.665 0.000 1.356 67 N HN 0.622 nan 8.380 nan 0.000 0.486 68 L N 1.349 122.357 121.223 -0.358 0.000 2.294 68 L HA 0.444 4.764 4.340 -0.034 0.000 0.283 68 L C -0.244 176.419 176.870 -0.346 0.000 1.015 68 L CA -0.356 54.348 54.840 -0.226 0.000 0.831 68 L CB 0.779 42.810 42.059 -0.047 0.000 1.217 68 L HN 0.624 nan 8.230 nan 0.000 0.420 69 W N 2.796 124.126 121.300 0.050 0.000 2.640 69 W HA 0.185 4.824 4.660 -0.034 0.000 0.268 69 W C 0.169 176.708 176.519 0.032 0.000 1.263 69 W CA -0.208 57.160 57.345 0.037 0.000 1.344 69 W CB 0.301 29.781 29.460 0.033 0.000 1.093 69 W HN 0.491 nan 8.180 nan 0.000 0.603 70 N N -0.890 117.927 118.700 0.195 0.000 2.454 70 N HA 0.562 5.282 4.740 -0.034 0.000 0.291 70 N C -0.161 175.393 175.510 0.073 0.000 1.079 70 N CA 0.311 53.438 53.050 0.128 0.000 0.893 70 N CB 2.089 40.646 38.487 0.117 0.000 1.512 70 N HN 0.039 nan 8.380 nan 0.000 0.497 71 G N 1.019 109.850 108.800 0.053 0.000 2.362 71 G HA2 -0.096 3.844 3.960 -0.034 0.000 0.517 71 G HA3 -0.096 3.844 3.960 -0.034 0.000 0.517 71 G C -1.812 173.103 174.900 0.025 0.000 1.256 71 G CA -0.929 44.192 45.100 0.036 0.000 1.027 71 G HN 0.566 nan 8.290 nan 0.000 0.491 72 D N 0.174 120.585 120.400 0.019 0.000 2.304 72 D HA 0.457 5.077 4.640 -0.034 0.000 0.250 72 D C 1.883 178.193 176.300 0.015 0.000 1.107 72 D CA 0.588 54.597 54.000 0.015 0.000 0.885 72 D CB 1.334 42.140 40.800 0.010 0.000 1.192 72 D HN 0.801 nan 8.370 nan 0.000 0.436 73 T N 0.597 115.163 114.554 0.020 0.000 3.129 73 T HA 0.376 4.705 4.350 -0.034 0.000 0.251 73 T C 1.071 175.789 174.700 0.030 0.000 1.117 73 T CA 0.348 62.468 62.100 0.034 0.000 1.034 73 T CB -0.455 68.445 68.868 0.053 0.000 0.968 73 T HN 0.739 nan 8.240 nan 0.000 0.526 74 G N 1.099 109.908 108.800 0.014 0.000 2.829 74 G HA2 -0.156 3.784 3.960 -0.034 0.000 0.628 74 G HA3 -0.156 3.784 3.960 -0.034 0.000 0.628 74 G C 0.442 175.348 174.900 0.011 0.000 1.412 74 G CA 0.098 45.200 45.100 0.003 0.000 0.864 74 G HN 0.927 nan 8.290 nan 0.000 0.544 75 T N -3.630 110.924 114.554 -0.001 0.000 2.985 75 T HA 0.511 4.841 4.350 -0.034 0.000 0.254 75 T C 0.809 175.507 174.700 -0.003 0.000 1.021 75 T CA 1.388 63.490 62.100 0.003 0.000 0.957 75 T CB 0.654 69.517 68.868 -0.008 0.000 1.047 75 T HN 1.028 nan 8.240 nan 0.000 0.511 76 T N 1.996 116.539 114.554 -0.018 0.000 2.886 76 T HA 0.770 5.099 4.350 -0.034 0.000 0.292 76 T C -0.984 173.692 174.700 -0.039 0.000 1.012 76 T CA -0.618 61.459 62.100 -0.038 0.000 0.982 76 T CB 1.812 70.635 68.868 -0.075 0.000 1.018 76 T HN 0.450 nan 8.240 nan 0.000 0.451 77 A N 3.101 125.916 122.820 -0.008 0.000 2.337 77 A HA 0.868 5.167 4.320 -0.034 0.000 0.329 77 A C -0.593 176.978 177.584 -0.021 0.000 1.146 77 A CA -0.776 51.230 52.037 -0.052 0.000 0.800 77 A CB 1.017 20.040 19.000 0.037 0.000 1.220 77 A HN 0.750 nan 8.150 nan 0.000 0.472 78 K N 0.678 121.007 120.400 -0.118 0.000 2.469 78 K HA 0.612 4.912 4.320 -0.034 0.000 0.254 78 K C -1.537 175.009 176.600 -0.090 0.000 0.939 78 K CA -0.742 55.520 56.287 -0.041 0.000 0.812 78 K CB 2.664 35.095 32.500 -0.114 0.000 1.301 78 K HN 0.387 nan 8.250 nan 0.000 0.433 79 V N 3.815 123.722 119.914 -0.011 0.000 2.398 79 V HA 0.406 4.505 4.120 -0.034 0.000 0.286 79 V C -0.403 175.565 176.094 -0.210 0.000 1.026 79 V CA -0.827 61.366 62.300 -0.179 0.000 0.868 79 V CB 1.019 32.651 31.823 -0.319 0.000 0.982 79 V HN 0.534 nan 8.190 nan 0.000 0.443 80 L N 5.764 126.895 121.223 -0.153 0.000 2.325 80 L HA 0.635 4.954 4.340 -0.034 0.000 0.278 80 L C -0.736 176.087 176.870 -0.079 0.000 1.023 80 L CA -0.613 54.156 54.840 -0.118 0.000 0.811 80 L CB 1.801 43.813 42.059 -0.079 0.000 1.249 80 L HN 0.403 nan 8.230 nan 0.000 0.431 81 L N 3.651 124.836 121.223 -0.063 0.000 2.319 81 L HA 0.418 4.738 4.340 -0.034 0.000 0.281 81 L C -0.242 176.688 176.870 0.100 0.000 1.005 81 L CA -0.687 54.167 54.840 0.024 0.000 0.828 81 L CB 1.251 43.251 42.059 -0.099 0.000 1.227 81 L HN 0.659 nan 8.230 nan 0.000 0.415 82 N N 3.085 121.859 118.700 0.124 0.000 2.727 82 N HA -0.213 4.506 4.740 -0.034 0.000 0.249 82 N C 0.990 176.526 175.510 0.043 0.000 1.048 82 N CA 1.248 54.353 53.050 0.092 0.000 0.714 82 N CB -0.981 37.582 38.487 0.127 0.000 0.959 82 N HN 1.130 nan 8.380 nan 0.000 0.544 83 G N -1.146 107.663 108.800 0.016 0.000 2.205 83 G HA2 -0.378 3.562 3.960 -0.034 0.000 0.261 83 G HA3 -0.378 3.562 3.960 -0.034 0.000 0.261 83 G C 0.014 174.901 174.900 -0.022 0.000 0.980 83 G CA 0.874 45.970 45.100 -0.008 0.000 0.632 83 G HN 0.696 nan 8.290 nan 0.000 0.533 84 K N 1.113 121.501 120.400 -0.020 0.000 2.235 84 K HA 0.483 4.783 4.320 -0.034 0.000 0.266 84 K C 0.250 176.805 176.600 -0.076 0.000 0.980 84 K CA -0.661 55.604 56.287 -0.036 0.000 0.849 84 K CB 0.884 33.377 32.500 -0.011 0.000 1.098 84 K HN 0.250 nan 8.250 nan 0.000 0.445 85 E N 3.020 123.166 120.200 -0.090 0.000 2.480 85 E HA -0.038 4.291 4.350 -0.034 0.000 0.258 85 E C -0.196 176.308 176.600 -0.159 0.000 0.984 85 E CA 0.176 56.500 56.400 -0.128 0.000 0.930 85 E CB 0.824 30.453 29.700 -0.119 0.000 0.936 85 E HN 0.728 nan 8.360 nan 0.000 0.466 86 A N 4.938 127.603 122.820 -0.258 0.000 2.259 86 A HA 0.157 4.457 4.320 -0.034 0.000 0.213 86 A C -0.450 176.938 177.584 -0.326 0.000 1.209 86 A CA -0.198 51.629 52.037 -0.351 0.000 0.910 86 A CB 0.194 18.836 19.000 -0.596 0.000 0.946 86 A HN 0.746 nan 8.150 nan 0.000 0.497 87 W N -0.443 120.557 121.300 -0.499 0.000 3.419 87 W HA 0.489 5.129 4.660 -0.034 0.000 0.298 87 W C -1.136 175.249 176.519 -0.223 0.000 1.260 87 W CA 0.214 57.360 57.345 -0.333 0.000 1.199 87 W CB 1.121 30.340 29.460 -0.401 0.000 1.349 87 W HN 0.316 nan 8.180 nan 0.000 0.557 88 S N 3.320 118.442 115.700 -0.964 0.000 2.550 88 S HA 0.958 5.407 4.470 -0.034 0.000 0.270 88 S C -0.846 172.883 174.600 -1.452 0.000 1.145 88 S CA -0.217 57.414 58.200 -0.949 0.000 0.852 88 S CB 1.724 64.659 63.200 -0.443 0.000 1.119 88 S HN 1.442 nan 8.310 nan 0.000 0.465 89 G N 0.504 108.696 108.800 -1.013 0.000 2.559 89 G HA2 0.687 4.627 3.960 -0.034 0.000 0.291 89 G HA3 0.687 4.627 3.960 -0.034 0.000 0.291 89 G C -3.664 171.150 174.900 -0.144 0.000 1.424 89 G CA -1.196 43.556 45.100 -0.579 0.000 0.786 89 G HN 0.595 nan 8.290 nan 0.000 0.485 90 P HA 0.267 nan 4.420 nan 0.000 0.268 90 P C -0.154 177.219 177.300 0.121 0.000 1.204 90 P CA 0.071 63.187 63.100 0.027 0.000 0.768 90 P CB 1.336 33.052 31.700 0.026 0.000 0.842 91 S N 1.847 117.613 115.700 0.111 0.000 2.411 91 S HA 0.256 4.706 4.470 -0.034 0.000 0.294 91 S C 0.901 175.575 174.600 0.123 0.000 1.115 91 S CA -0.227 58.078 58.200 0.175 0.000 1.071 91 S CB -0.570 62.710 63.200 0.134 0.000 0.967 91 S HN 0.509 nan 8.310 nan 0.000 0.488 92 T N 1.508 116.138 114.554 0.126 0.000 3.085 92 T HA 0.584 4.914 4.350 -0.034 0.000 0.264 92 T C 0.815 175.540 174.700 0.043 0.000 1.019 92 T CA 0.125 62.266 62.100 0.068 0.000 0.910 92 T CB 0.277 69.179 68.868 0.058 0.000 1.059 92 T HN 0.857 nan 8.240 nan 0.000 0.542 93 G N 1.049 109.878 108.800 0.049 0.000 2.335 93 G HA2 0.361 4.300 3.960 -0.034 0.000 0.291 93 G HA3 0.361 4.300 3.960 -0.034 0.000 0.291 93 G C 0.247 175.147 174.900 -0.001 0.000 1.261 93 G CA -0.046 45.060 45.100 0.009 0.000 0.871 93 G HN 0.238 nan 8.290 nan 0.000 0.491 94 S N -0.874 114.789 115.700 -0.060 0.000 2.527 94 S HA 0.418 4.867 4.470 -0.034 0.000 0.222 94 S C 0.914 175.406 174.600 -0.180 0.000 0.985 94 S CA 1.009 59.146 58.200 -0.105 0.000 0.921 94 S CB 0.096 63.199 63.200 -0.162 0.000 0.772 94 S HN 0.708 nan 8.310 nan 0.000 0.529 95 S N -0.418 115.147 115.700 -0.225 0.000 2.632 95 S HA 0.868 5.318 4.470 -0.034 0.000 0.289 95 S C -0.108 174.120 174.600 -0.620 0.000 1.115 95 S CA -0.482 57.461 58.200 -0.427 0.000 0.889 95 S CB 1.967 64.946 63.200 -0.369 0.000 1.116 95 S HN 0.630 nan 8.310 nan 0.000 0.486 96 G N 0.036 108.043 108.800 -1.322 0.000 2.623 96 G HA2 0.627 4.566 3.960 -0.034 0.000 0.290 96 G HA3 0.627 4.566 3.960 -0.034 0.000 0.290 96 G C -1.709 172.178 174.900 -1.689 0.000 1.437 96 G CA -0.462 43.827 45.100 -1.351 0.000 0.798 96 G HN 0.615 nan 8.290 nan 0.000 0.488 97 T N -0.303 113.671 114.554 -0.967 0.000 2.912 97 T HA 0.774 5.104 4.350 -0.034 0.000 0.299 97 T C -0.454 173.993 174.700 -0.422 0.000 1.052 97 T CA 0.016 61.757 62.100 -0.598 0.000 0.996 97 T CB 1.770 70.441 68.868 -0.329 0.000 1.070 97 T HN 1.389 nan 8.240 nan 0.000 0.465 98 A N 3.041 125.619 122.820 -0.403 0.000 2.386 98 A HA 0.839 5.138 4.320 -0.034 0.000 0.311 98 A C -0.961 176.390 177.584 -0.388 0.000 1.068 98 A CA -0.874 50.663 52.037 -0.833 0.000 0.743 98 A CB 1.046 19.167 19.000 -1.465 0.000 1.258 98 A HN 0.701 nan 8.150 nan 0.000 0.429 99 N N 1.317 119.858 118.700 -0.264 0.000 2.399 99 N HA 0.749 5.468 4.740 -0.034 0.000 0.284 99 N C -1.307 174.241 175.510 0.064 0.000 1.025 99 N CA 0.042 52.994 53.050 -0.163 0.000 0.885 99 N CB 1.860 40.298 38.487 -0.082 0.000 1.339 99 N HN 0.644 nan 8.380 nan 0.000 0.487 100 F N -1.092 118.796 119.950 -0.104 0.000 2.745 100 F HA 0.605 5.112 4.527 -0.034 0.000 0.316 100 F C -0.877 174.867 175.800 -0.093 0.000 1.155 100 F CA -1.168 56.828 58.000 -0.007 0.000 0.937 100 F CB 1.392 40.437 39.000 0.074 0.000 1.361 100 F HN -0.077 nan 8.300 nan 0.000 0.472 101 K N 1.113 121.598 120.400 0.141 0.000 2.207 101 K HA 0.769 5.069 4.320 -0.034 0.000 0.255 101 K C -1.667 174.962 176.600 0.049 0.000 0.941 101 K CA -1.078 55.206 56.287 -0.006 0.000 0.825 101 K CB 2.536 35.044 32.500 0.014 0.000 1.119 101 K HN 0.536 nan 8.250 nan 0.000 0.430 102 V N 3.544 123.428 119.914 -0.049 0.000 2.444 102 V HA 0.126 4.225 4.120 -0.034 0.000 0.294 102 V C -0.007 176.083 176.094 -0.006 0.000 1.022 102 V CA -0.866 61.411 62.300 -0.039 0.000 0.850 102 V CB 1.370 33.117 31.823 -0.127 0.000 0.992 102 V HN 0.864 nan 8.190 nan 0.000 0.426 103 N N 2.969 121.681 118.700 0.021 0.000 2.235 103 N HA 0.110 4.829 4.740 -0.034 0.000 0.209 103 N C -0.135 175.417 175.510 0.070 0.000 1.122 103 N CA -0.329 52.743 53.050 0.037 0.000 0.845 103 N CB 0.476 38.981 38.487 0.029 0.000 1.004 103 N HN 0.662 nan 8.380 nan 0.000 0.499 104 K N 0.074 120.545 120.400 0.117 0.000 2.471 104 K HA 0.573 4.873 4.320 -0.034 0.000 0.252 104 K C -0.050 176.694 176.600 0.241 0.000 0.938 104 K CA -0.761 55.625 56.287 0.165 0.000 0.796 104 K CB 1.599 34.212 32.500 0.189 0.000 1.161 104 K HN 0.068 nan 8.250 nan 0.000 0.425 105 G N 1.542 110.452 108.800 0.182 0.000 2.554 105 G HA2 0.488 4.428 3.960 -0.034 0.000 0.238 105 G HA3 0.488 4.428 3.960 -0.034 0.000 0.238 105 G C 0.026 175.024 174.900 0.163 0.000 1.259 105 G CA 0.340 45.560 45.100 0.200 0.000 0.843 105 G HN 0.929 nan 8.290 nan 0.000 0.582 106 G N 0.311 109.194 108.800 0.137 0.000 2.362 106 G HA2 0.330 4.270 3.960 -0.034 0.000 0.288 106 G HA3 0.330 4.270 3.960 -0.034 0.000 0.288 106 G C -1.047 173.794 174.900 -0.098 0.000 1.305 106 G CA -1.093 43.972 45.100 -0.058 0.000 0.910 106 G HN 0.749 nan 8.290 nan 0.000 0.518 107 R N -0.626 119.735 120.500 -0.233 0.000 2.514 107 R HA 0.663 4.982 4.340 -0.034 0.000 0.301 107 R C -1.433 174.710 176.300 -0.261 0.000 0.962 107 R CA -0.561 55.475 56.100 -0.106 0.000 0.882 107 R CB 1.626 31.903 30.300 -0.038 0.000 1.143 107 R HN 0.497 nan 8.270 nan 0.000 0.452 108 Y N 0.464 120.803 120.300 0.066 0.000 2.462 108 Y HA 0.201 4.731 4.550 -0.034 0.000 0.346 108 Y C -0.076 175.856 175.900 0.053 0.000 0.976 108 Y CA -1.075 57.060 58.100 0.058 0.000 1.044 108 Y CB 2.026 40.530 38.460 0.074 0.000 1.230 108 Y HN 0.209 nan 8.280 nan 0.000 0.455 109 Q N 4.021 123.931 119.800 0.183 0.000 2.344 109 Q HA 0.191 4.510 4.340 -0.034 0.000 0.253 109 Q C -0.442 175.627 176.000 0.116 0.000 1.050 109 Q CA -0.033 55.840 55.803 0.117 0.000 0.912 109 Q CB 1.233 30.012 28.738 0.069 0.000 1.258 109 Q HN 0.599 nan 8.270 nan 0.000 0.443 110 M N 3.126 122.792 119.600 0.109 0.000 2.264 110 M HA 0.278 4.737 4.480 -0.034 0.000 0.352 110 M C -1.130 175.191 176.300 0.035 0.000 1.173 110 M CA -0.019 55.330 55.300 0.082 0.000 1.075 110 M CB 0.990 33.662 32.600 0.120 0.000 1.621 110 M HN 0.555 nan 8.290 nan 0.000 0.457 111 Q N 2.758 122.555 119.800 -0.005 0.000 2.397 111 Q HA 0.623 4.942 4.340 -0.034 0.000 0.275 111 Q C -1.461 174.484 176.000 -0.092 0.000 1.090 111 Q CA -0.925 54.854 55.803 -0.039 0.000 0.809 111 Q CB 3.229 31.941 28.738 -0.042 0.000 1.362 111 Q HN 0.598 nan 8.270 nan 0.000 0.431 112 V N 1.458 121.291 119.914 -0.135 0.000 2.370 112 V HA 0.720 4.819 4.120 -0.034 0.000 0.283 112 V C -0.575 175.356 176.094 -0.272 0.000 1.023 112 V CA -0.429 61.702 62.300 -0.281 0.000 0.857 112 V CB 1.220 32.797 31.823 -0.410 0.000 0.985 112 V HN 0.827 nan 8.190 nan 0.000 0.443 113 A N 6.209 128.869 122.820 -0.267 0.000 2.337 113 A HA 0.913 5.213 4.320 -0.034 0.000 0.329 113 A C -0.910 176.539 177.584 -0.226 0.000 1.146 113 A CA -0.608 51.311 52.037 -0.197 0.000 0.800 113 A CB 1.013 19.932 19.000 -0.135 0.000 1.220 113 A HN 0.779 nan 8.150 nan 0.000 0.472 114 L N 1.152 122.274 121.223 -0.168 0.000 2.329 114 L HA 0.546 4.866 4.340 -0.034 0.000 0.279 114 L C -0.799 176.022 176.870 -0.082 0.000 1.014 114 L CA -0.550 54.212 54.840 -0.131 0.000 0.814 114 L CB 1.703 43.703 42.059 -0.098 0.000 1.257 114 L HN 0.704 nan 8.230 nan 0.000 0.424 115 c N 2.062 120.622 118.600 -0.068 0.000 2.634 115 c HA 0.719 5.269 4.570 -0.034 0.000 0.313 115 c C -0.123 173.945 174.090 -0.038 0.000 1.198 115 c CA -0.718 55.578 56.329 -0.054 0.000 1.605 115 c CB 1.464 43.936 42.510 -0.062 0.000 2.196 115 c HN 0.970 nan 8.230 nan 0.000 0.486 116 N N 0.474 119.155 118.700 -0.031 0.000 3.387 116 N HA 0.558 5.278 4.740 -0.034 0.000 0.322 116 N C 0.325 175.820 175.510 -0.025 0.000 1.588 116 N CA -0.182 52.853 53.050 -0.025 0.000 0.778 116 N CB 0.264 38.742 38.487 -0.016 0.000 1.883 116 N HN 0.499 nan 8.380 nan 0.000 0.628 117 A N -0.854 121.954 122.820 -0.021 0.000 2.019 117 A HA -0.102 4.198 4.320 -0.034 0.000 0.219 117 A C 0.794 178.367 177.584 -0.018 0.000 1.164 117 A CA 1.677 53.702 52.037 -0.020 0.000 0.644 117 A CB -0.780 18.210 19.000 -0.017 0.000 0.805 117 A HN 0.644 nan 8.150 nan 0.000 0.449 118 D N -1.026 119.364 120.400 -0.016 0.000 2.340 118 D HA 0.365 4.985 4.640 -0.034 0.000 0.220 118 D C 0.891 177.181 176.300 -0.017 0.000 1.039 118 D CA 1.324 55.315 54.000 -0.014 0.000 0.866 118 D CB 0.448 41.242 40.800 -0.010 0.000 0.913 118 D HN 0.556 nan 8.370 nan 0.000 0.523 119 G N -1.166 107.621 108.800 -0.021 0.000 2.361 119 G HA2 0.134 4.074 3.960 -0.034 0.000 0.305 119 G HA3 0.134 4.074 3.960 -0.034 0.000 0.305 119 G C -1.394 173.488 174.900 -0.031 0.000 1.367 119 G CA -0.842 44.244 45.100 -0.024 0.000 0.951 119 G HN 0.127 nan 8.290 nan 0.000 0.615 120 c N -0.092 118.487 118.600 -0.035 0.000 2.493 120 c HA 0.926 5.476 4.570 -0.034 0.000 0.326 120 c C 0.203 174.267 174.090 -0.042 0.000 1.200 120 c CA -0.359 55.942 56.329 -0.046 0.000 1.739 120 c CB 1.409 43.887 42.510 -0.053 0.000 2.300 120 c HN 0.873 nan 8.230 nan 0.000 0.500 121 T N 2.258 116.782 114.554 -0.050 0.000 2.890 121 T HA 0.643 4.973 4.350 -0.034 0.000 0.295 121 T C -0.347 174.317 174.700 -0.060 0.000 0.993 121 T CA -0.106 61.968 62.100 -0.043 0.000 0.979 121 T CB 1.367 70.217 68.868 -0.031 0.000 0.967 121 T HN 0.901 nan 8.240 nan 0.000 0.441 122 A N 2.909 125.697 122.820 -0.053 0.000 2.312 122 A HA 0.782 5.081 4.320 -0.034 0.000 0.326 122 A C 0.756 178.310 177.584 -0.051 0.000 1.172 122 A CA -0.760 51.238 52.037 -0.065 0.000 0.821 122 A CB 0.455 19.423 19.000 -0.053 0.000 1.166 122 A HN 0.920 nan 8.150 nan 0.000 0.493 123 S N 2.215 117.878 115.700 -0.062 0.000 2.598 123 S HA 0.145 4.595 4.470 -0.034 0.000 0.256 123 S C -0.042 174.543 174.600 -0.025 0.000 1.350 123 S CA -0.405 57.773 58.200 -0.038 0.000 0.984 123 S CB 0.091 63.265 63.200 -0.043 0.000 0.930 123 S HN 0.659 nan 8.310 nan 0.000 0.577 124 D N 0.901 121.291 120.400 -0.016 0.000 2.362 124 D HA 0.413 5.032 4.640 -0.034 0.000 0.238 124 D C 0.347 176.639 176.300 -0.013 0.000 1.212 124 D CA 0.439 54.432 54.000 -0.012 0.000 0.902 124 D CB 0.284 41.078 40.800 -0.010 0.000 1.180 124 D HN 0.854 nan 8.370 nan 0.000 0.445 125 A N 0.728 123.547 122.820 -0.002 0.000 2.363 125 A HA 0.464 4.763 4.320 -0.034 0.000 0.270 125 A C 0.057 177.649 177.584 0.014 0.000 1.121 125 A CA -0.177 51.866 52.037 0.009 0.000 0.800 125 A CB 0.453 19.465 19.000 0.018 0.000 1.052 125 A HN 0.377 nan 8.150 nan 0.000 0.493 126 T N 2.111 116.681 114.554 0.028 0.000 2.812 126 T HA 0.313 4.642 4.350 -0.034 0.000 0.282 126 T C -0.201 174.546 174.700 0.079 0.000 0.990 126 T CA -0.365 61.759 62.100 0.041 0.000 0.960 126 T CB 1.110 69.996 68.868 0.029 0.000 0.948 126 T HN 0.770 nan 8.240 nan 0.000 0.438 127 E N 3.343 123.592 120.200 0.081 0.000 2.376 127 E HA 0.316 4.646 4.350 -0.034 0.000 0.266 127 E C -0.377 176.304 176.600 0.135 0.000 1.009 127 E CA -0.356 56.106 56.400 0.102 0.000 0.902 127 E CB 0.401 30.145 29.700 0.074 0.000 0.972 127 E HN 0.621 nan 8.360 nan 0.000 0.439 128 I N 0.928 121.615 120.570 0.195 0.000 2.509 128 I HA 0.458 4.607 4.170 -0.034 0.000 0.293 128 I C -1.038 175.235 176.117 0.260 0.000 1.020 128 I CA -1.198 60.245 61.300 0.238 0.000 1.088 128 I CB 1.972 40.168 38.000 0.326 0.000 1.267 128 I HN 0.099 nan 8.210 nan 0.000 0.430 129 V N 6.330 126.361 119.914 0.195 0.000 2.350 129 V HA 0.325 4.425 4.120 -0.034 0.000 0.276 129 V C 0.094 176.303 176.094 0.193 0.000 1.028 129 V CA -0.577 61.818 62.300 0.158 0.000 0.860 129 V CB 1.326 33.177 31.823 0.047 0.000 0.990 129 V HN 0.585 nan 8.190 nan 0.000 0.453 130 V N 5.188 125.248 119.914 0.243 0.000 2.293 130 V HA 0.595 4.694 4.120 -0.034 0.000 0.275 130 V C 0.688 176.840 176.094 0.095 0.000 1.021 130 V CA -0.502 61.922 62.300 0.207 0.000 0.815 130 V CB 1.231 33.229 31.823 0.293 0.000 1.025 130 V HN 0.958 nan 8.190 nan 0.000 0.448 131 A N 3.843 126.598 122.820 -0.108 0.000 2.371 131 A HA 0.659 4.959 4.320 -0.034 0.000 0.257 131 A C -0.229 177.343 177.584 -0.020 0.000 1.089 131 A CA 0.054 51.820 52.037 -0.452 0.000 0.794 131 A CB 0.671 19.176 19.000 -0.826 0.000 1.029 131 A HN 0.758 nan 8.150 nan 0.000 0.488 132 D N -1.179 119.330 120.400 0.182 0.000 2.599 132 D HA 0.364 4.983 4.640 -0.034 0.000 0.252 132 D C 0.637 177.086 176.300 0.248 0.000 1.232 132 D CA 0.439 54.582 54.000 0.239 0.000 0.819 132 D CB 1.455 42.352 40.800 0.160 0.000 1.401 132 D HN 0.454 nan 8.370 nan 0.000 0.429 133 T N -1.795 112.773 114.554 0.023 0.000 3.219 133 T HA 0.054 4.384 4.350 -0.034 0.000 0.249 133 T C 0.733 175.516 174.700 0.139 0.000 1.099 133 T CA 0.211 62.288 62.100 -0.038 0.000 0.988 133 T CB -0.173 68.651 68.868 -0.074 0.000 0.999 133 T HN 0.365 nan 8.240 nan 0.000 0.550 134 D N 1.127 121.599 120.400 0.120 0.000 2.355 134 D HA 0.148 4.768 4.640 -0.034 0.000 0.218 134 D C 1.666 178.003 176.300 0.062 0.000 1.004 134 D CA 0.549 54.610 54.000 0.102 0.000 0.880 134 D CB -0.840 40.002 40.800 0.069 0.000 0.911 134 D HN 0.544 nan 8.370 nan 0.000 0.528 135 G N 0.487 109.341 108.800 0.089 0.000 2.136 135 G HA2 -0.348 3.591 3.960 -0.034 0.000 0.242 135 G HA3 -0.348 3.591 3.960 -0.034 0.000 0.242 135 G C 1.078 175.899 174.900 -0.131 0.000 0.989 135 G CA 0.871 45.916 45.100 -0.091 0.000 0.682 135 G HN 0.626 nan 8.290 nan 0.000 0.522 136 S N 0.294 116.028 115.700 0.057 0.000 2.442 136 S HA -0.133 4.317 4.470 -0.034 0.000 0.236 136 S C 1.911 176.536 174.600 0.041 0.000 1.007 136 S CA 1.597 59.821 58.200 0.040 0.000 0.965 136 S CB -0.574 62.675 63.200 0.081 0.000 0.773 136 S HN 1.060 nan 8.310 nan 0.000 0.504 137 H N 0.438 119.524 119.070 0.027 0.000 2.548 137 H HA 0.414 4.949 4.556 -0.034 0.000 0.265 137 H C 0.529 175.849 175.328 -0.012 0.000 0.969 137 H CA -0.307 55.748 56.048 0.012 0.000 1.155 137 H CB -0.386 29.401 29.762 0.043 0.000 1.394 137 H HN 0.366 nan 8.280 nan 0.000 0.570 138 L N 1.407 122.317 121.223 -0.521 0.000 2.360 138 L HA 0.534 4.854 4.340 -0.034 0.000 0.271 138 L C 0.516 177.264 176.870 -0.203 0.000 1.057 138 L CA -0.996 53.620 54.840 -0.373 0.000 0.803 138 L CB 1.420 43.212 42.059 -0.446 0.000 1.207 138 L HN 0.136 nan 8.230 nan 0.000 0.445 139 A N 3.270 126.001 122.820 -0.148 0.000 2.407 139 A HA 0.441 4.740 4.320 -0.034 0.000 0.248 139 A C -2.239 175.262 177.584 -0.138 0.000 1.082 139 A CA -1.137 50.827 52.037 -0.121 0.000 0.785 139 A CB -0.512 18.432 19.000 -0.093 0.000 1.020 139 A HN 0.429 nan 8.150 nan 0.000 0.489 140 P HA 0.067 nan 4.420 nan 0.000 0.264 140 P C -0.644 176.572 177.300 -0.140 0.000 1.193 140 P CA -0.030 62.979 63.100 -0.151 0.000 0.763 140 P CB 0.327 31.931 31.700 -0.160 0.000 0.810 141 L N 4.247 125.383 121.223 -0.144 0.000 2.312 141 L HA 0.261 4.580 4.340 -0.034 0.000 0.287 141 L C 0.494 177.304 176.870 -0.099 0.000 1.091 141 L CA 0.296 55.065 54.840 -0.119 0.000 0.846 141 L CB -0.383 41.601 42.059 -0.125 0.000 1.219 141 L HN 0.263 nan 8.230 nan 0.000 0.439 142 K N 3.982 124.329 120.400 -0.088 0.000 2.679 142 K HA 0.323 4.623 4.320 -0.034 0.000 0.188 142 K C -0.731 175.851 176.600 -0.030 0.000 1.055 142 K CA -0.398 55.850 56.287 -0.065 0.000 1.006 142 K CB 0.407 32.839 32.500 -0.114 0.000 1.317 142 K HN 0.496 nan 8.250 nan 0.000 0.584 143 E N 1.935 122.127 120.200 -0.012 0.000 2.283 143 E HA 0.308 4.637 4.350 -0.034 0.000 0.267 143 E C -2.233 174.363 176.600 -0.006 0.000 1.045 143 E CA -2.105 54.281 56.400 -0.023 0.000 0.884 143 E CB 0.662 30.335 29.700 -0.045 0.000 1.106 143 E HN 0.411 nan 8.360 nan 0.000 0.408 144 P HA 0.079 nan 4.420 nan 0.000 0.266 144 P C -0.130 177.171 177.300 0.001 0.000 1.195 144 P CA 0.043 63.140 63.100 -0.005 0.000 0.768 144 P CB 0.384 32.078 31.700 -0.011 0.000 0.838 145 L N 2.406 123.637 121.223 0.013 0.000 2.456 145 L HA 0.158 4.477 4.340 -0.034 0.000 0.272 145 L C 0.687 177.572 176.870 0.024 0.000 1.189 145 L CA 0.028 54.883 54.840 0.025 0.000 0.846 145 L CB -0.132 41.948 42.059 0.035 0.000 1.111 145 L HN 0.253 nan 8.230 nan 0.000 0.475 146 L N 2.110 123.355 121.223 0.037 0.000 2.298 146 L HA 0.441 4.761 4.340 -0.034 0.000 0.268 146 L C 0.698 177.606 176.870 0.062 0.000 1.010 146 L CA -0.712 54.151 54.840 0.039 0.000 0.812 146 L CB 1.297 43.373 42.059 0.030 0.000 1.331 146 L HN 0.739 nan 8.230 nan 0.000 0.450 147 E N -0.038 120.197 120.200 0.059 0.000 3.439 147 E HA -0.353 3.976 4.350 -0.034 0.000 0.385 147 E C 0.475 177.112 176.600 0.063 0.000 1.557 147 E CA 1.886 58.325 56.400 0.065 0.000 1.684 147 E CB -0.529 29.227 29.700 0.092 0.000 1.677 147 E HN 0.574 nan 8.360 nan 0.000 0.455 148 K N 1.310 121.757 120.400 0.078 0.000 2.387 148 K HA 0.177 4.476 4.320 -0.034 0.000 0.198 148 K C -0.061 176.594 176.600 0.090 0.000 1.022 148 K CA -0.179 56.155 56.287 0.078 0.000 1.128 148 K CB -0.012 32.541 32.500 0.089 0.000 0.853 148 K HN 0.205 nan 8.250 nan 0.000 0.523 149 N N 2.644 121.401 118.700 0.094 0.000 2.454 149 N HA 0.022 4.741 4.740 -0.034 0.000 0.260 149 N C -0.521 175.046 175.510 0.096 0.000 1.218 149 N CA 0.811 53.926 53.050 0.109 0.000 0.904 149 N CB 0.753 39.301 38.487 0.102 0.000 1.065 149 N HN 0.066 nan 8.380 nan 0.000 0.462 150 K N 2.323 122.803 120.400 0.133 0.000 2.267 150 K HA 0.462 4.761 4.320 -0.034 0.000 0.246 150 K C -2.435 174.172 176.600 0.011 0.000 0.954 150 K CA -1.729 54.586 56.287 0.045 0.000 0.824 150 K CB 1.862 34.370 32.500 0.013 0.000 1.167 150 K HN 0.314 nan 8.250 nan 0.000 0.431 151 P HA 0.097 nan 4.420 nan 0.000 0.276 151 P C -1.411 175.712 177.300 -0.295 0.000 1.235 151 P CA 0.056 63.102 63.100 -0.090 0.000 0.772 151 P CB 0.355 32.009 31.700 -0.075 0.000 0.871 152 Y N 0.896 121.203 120.300 0.012 0.000 2.536 152 Y HA 0.443 4.972 4.550 -0.034 0.000 0.347 152 Y C 0.900 176.807 175.900 0.013 0.000 1.000 152 Y CA -0.856 57.252 58.100 0.013 0.000 1.051 152 Y CB 2.188 40.657 38.460 0.015 0.000 1.259 152 Y HN 0.171 nan 8.280 nan 0.000 0.468 153 K N 1.423 121.922 120.400 0.165 0.000 2.143 153 K HA 0.268 4.567 4.320 -0.034 0.000 0.272 153 K C -0.645 176.023 176.600 0.114 0.000 1.001 153 K CA -0.762 55.588 56.287 0.105 0.000 0.915 153 K CB 0.655 33.199 32.500 0.073 0.000 1.047 153 K HN 0.430 nan 8.250 nan 0.000 0.458 154 Q N 3.126 122.974 119.800 0.080 0.000 2.678 154 Q HA 0.041 4.361 4.340 -0.034 0.000 0.222 154 Q C -0.312 175.724 176.000 0.060 0.000 1.281 154 Q CA 0.022 55.865 55.803 0.067 0.000 0.994 154 Q CB -0.054 28.714 28.738 0.050 0.000 1.452 154 Q HN 0.560 nan 8.270 nan 0.000 0.570 155 N N -1.566 117.172 118.700 0.064 0.000 2.160 155 N HA -0.065 4.655 4.740 -0.034 0.000 0.226 155 N C 0.677 176.217 175.510 0.050 0.000 1.256 155 N CA 0.137 53.219 53.050 0.053 0.000 0.890 155 N CB 0.087 38.604 38.487 0.050 0.000 1.116 155 N HN 0.103 nan 8.380 nan 0.000 0.517 156 S N -0.707 115.024 115.700 0.052 0.000 2.453 156 S HA 0.209 4.659 4.470 -0.034 0.000 0.231 156 S C 1.684 176.311 174.600 0.045 0.000 1.005 156 S CA 0.666 58.894 58.200 0.045 0.000 0.949 156 S CB -0.785 62.439 63.200 0.041 0.000 0.774 156 S HN 0.632 nan 8.310 nan 0.000 0.510 157 G N 0.957 109.789 108.800 0.053 0.000 2.162 157 G HA2 -0.222 3.717 3.960 -0.034 0.000 0.260 157 G HA3 -0.222 3.717 3.960 -0.034 0.000 0.260 157 G C -0.012 174.930 174.900 0.069 0.000 0.976 157 G CA 0.409 45.545 45.100 0.060 0.000 0.655 157 G HN 0.497 nan 8.290 nan 0.000 0.533 158 K N 0.030 120.468 120.400 0.064 0.000 2.123 158 K HA 0.647 4.947 4.320 -0.034 0.000 0.248 158 K C 0.590 177.237 176.600 0.078 0.000 0.969 158 K CA -0.862 55.464 56.287 0.065 0.000 0.882 158 K CB 2.004 34.534 32.500 0.049 0.000 1.080 158 K HN 0.071 nan 8.250 nan 0.000 0.441 159 V N 1.825 121.775 119.914 0.062 0.000 2.637 159 V HA 0.081 4.181 4.120 -0.034 0.000 0.296 159 V C 0.017 176.174 176.094 0.104 0.000 1.046 159 V CA -0.302 62.032 62.300 0.056 0.000 1.066 159 V CB 1.012 32.756 31.823 -0.132 0.000 0.968 159 V HN 0.352 nan 8.190 nan 0.000 0.483 160 V N 4.770 124.768 119.914 0.139 0.000 2.398 160 V HA 0.710 4.810 4.120 -0.034 0.000 0.282 160 V C 0.451 176.635 176.094 0.151 0.000 1.014 160 V CA -0.187 62.183 62.300 0.117 0.000 0.838 160 V CB 1.262 33.120 31.823 0.058 0.000 1.018 160 V HN 0.983 nan 8.190 nan 0.000 0.432 161 G N 2.035 110.945 108.800 0.183 0.000 2.498 161 G HA2 0.770 4.709 3.960 -0.034 0.000 0.312 161 G HA3 0.770 4.709 3.960 -0.034 0.000 0.312 161 G C -1.016 173.969 174.900 0.141 0.000 1.230 161 G CA -0.594 44.597 45.100 0.152 0.000 0.968 161 G HN 0.650 nan 8.290 nan 0.000 0.481 162 S N -1.312 114.422 115.700 0.056 0.000 2.596 162 S HA 0.656 5.105 4.470 -0.034 0.000 0.270 162 S C -1.961 172.636 174.600 -0.005 0.000 1.155 162 S CA -0.565 57.697 58.200 0.104 0.000 0.827 162 S CB 1.126 64.355 63.200 0.047 0.000 1.130 162 S HN 0.421 nan 8.310 nan 0.000 0.467 163 Y N 1.574 121.829 120.300 -0.075 0.000 2.360 163 Y HA 0.608 5.138 4.550 -0.034 0.000 0.337 163 Y C -0.357 175.347 175.900 -0.326 0.000 1.039 163 Y CA -0.603 57.387 58.100 -0.182 0.000 1.109 163 Y CB 1.303 39.597 38.460 -0.276 0.000 1.201 163 Y HN 0.611 nan 8.280 nan 0.000 0.458 164 F N 4.431 124.214 119.950 -0.278 0.000 2.450 164 F HA 0.675 5.182 4.527 -0.034 0.000 0.332 164 F C -0.812 174.624 175.800 -0.607 0.000 1.093 164 F CA -1.156 56.631 58.000 -0.354 0.000 1.003 164 F CB 0.935 39.862 39.000 -0.122 0.000 1.151 164 F HN 0.229 nan 8.300 nan 0.000 0.474 165 V N 3.564 122.643 119.914 -1.392 0.000 2.459 165 V HA 0.417 4.517 4.120 -0.034 0.000 0.295 165 V C 0.881 176.072 176.094 -1.504 0.000 1.029 165 V CA -0.492 60.836 62.300 -1.619 0.000 0.874 165 V CB 1.515 32.014 31.823 -2.207 0.000 0.985 165 V HN 1.037 nan 8.190 nan 0.000 0.438 166 E N 3.727 123.301 120.200 -1.044 0.000 2.118 166 E HA -0.213 4.116 4.350 -0.034 0.000 0.195 166 E C 1.370 177.835 176.600 -0.225 0.000 0.992 166 E CA 2.462 58.644 56.400 -0.365 0.000 0.804 166 E CB -0.071 29.623 29.700 -0.010 0.000 0.741 166 E HN 1.002 nan 8.360 nan 0.000 0.458 167 W N -0.724 120.477 121.300 -0.165 0.000 3.180 167 W HA 0.365 5.004 4.660 -0.034 0.000 0.254 167 W C 1.331 177.744 176.519 -0.176 0.000 1.318 167 W CA 0.075 57.379 57.345 -0.069 0.000 1.608 167 W CB -0.424 29.029 29.460 -0.013 0.000 1.124 167 W HN -0.029 nan 8.180 nan 0.000 0.694 168 G N 1.320 109.757 108.800 -0.605 0.000 2.920 168 G HA2 0.008 3.947 3.960 -0.034 0.000 0.208 168 G HA3 0.008 3.947 3.960 -0.034 0.000 0.208 168 G C 1.006 175.709 174.900 -0.328 0.000 1.159 168 G CA 0.800 45.573 45.100 -0.545 0.000 0.784 168 G HN 0.447 nan 8.290 nan 0.000 0.535 169 V N -3.661 116.053 119.914 -0.333 0.000 3.649 169 V HA 0.332 4.431 4.120 -0.034 0.000 0.275 169 V C 1.481 177.404 176.094 -0.285 0.000 1.281 169 V CA -0.101 62.019 62.300 -0.299 0.000 1.143 169 V CB -1.039 30.578 31.823 -0.343 0.000 0.892 169 V HN 0.193 nan 8.190 nan 0.000 0.441 170 Y N 2.265 122.569 120.300 0.007 0.000 2.858 170 Y HA 0.605 5.134 4.550 -0.034 0.000 0.196 170 Y C 2.647 178.558 175.900 0.018 0.000 0.925 170 Y CA 0.996 59.120 58.100 0.040 0.000 1.172 170 Y CB -1.043 37.453 38.460 0.061 0.000 1.050 170 Y HN 0.052 nan 8.280 nan 0.000 0.460 171 G N 0.173 109.100 108.800 0.212 0.000 2.450 171 G HA2 -0.192 3.748 3.960 -0.034 0.000 0.220 171 G HA3 -0.192 3.748 3.960 -0.034 0.000 0.220 171 G C 1.510 176.441 174.900 0.051 0.000 1.130 171 G CA 0.787 45.975 45.100 0.147 0.000 0.760 171 G HN 0.286 nan 8.290 nan 0.000 0.557 172 R N -0.542 119.829 120.500 -0.215 0.000 2.153 172 R HA 0.014 4.334 4.340 -0.034 0.000 0.218 172 R C 1.177 177.484 176.300 0.011 0.000 1.072 172 R CA 0.581 56.495 56.100 -0.310 0.000 0.990 172 R CB -0.194 29.693 30.300 -0.687 0.000 0.889 172 R HN 0.318 nan 8.270 nan 0.000 0.452 173 N N -0.530 118.177 118.700 0.012 0.000 2.747 173 N HA -0.236 4.484 4.740 -0.034 0.000 0.249 173 N C -1.412 174.128 175.510 0.051 0.000 1.107 173 N CA 0.460 53.535 53.050 0.041 0.000 0.707 173 N CB -1.344 37.190 38.487 0.078 0.000 1.054 173 N HN 0.225 nan 8.380 nan 0.000 0.555 174 F N 1.135 121.021 119.950 -0.107 0.000 2.347 174 F HA 0.462 4.968 4.527 -0.034 0.000 0.366 174 F C 0.716 176.541 175.800 0.041 0.000 1.107 174 F CA 0.017 57.981 58.000 -0.060 0.000 1.058 174 F CB 0.525 39.443 39.000 -0.135 0.000 1.236 174 F HN 0.130 nan 8.300 nan 0.000 0.456 175 T N 1.117 115.581 114.554 -0.150 0.000 2.948 175 T HA 0.330 4.660 4.350 -0.034 0.000 0.285 175 T C 1.039 175.702 174.700 -0.062 0.000 1.019 175 T CA -0.765 61.360 62.100 0.041 0.000 1.013 175 T CB 1.535 70.355 68.868 -0.080 0.000 1.117 175 T HN 0.213 nan 8.240 nan 0.000 0.533 176 V N 1.781 121.576 119.914 -0.199 0.000 2.594 176 V HA -0.157 3.942 4.120 -0.034 0.000 0.253 176 V C 2.514 178.445 176.094 -0.271 0.000 1.069 176 V CA 2.226 64.270 62.300 -0.426 0.000 1.082 176 V CB -0.953 30.573 31.823 -0.495 0.000 0.680 176 V HN 1.032 nan 8.190 nan 0.000 0.469 177 D N 0.103 120.370 120.400 -0.222 0.000 2.350 177 D HA -0.196 4.424 4.640 -0.034 0.000 0.216 177 D C 1.638 177.816 176.300 -0.203 0.000 0.968 177 D CA 0.772 54.663 54.000 -0.181 0.000 0.894 177 D CB -0.164 40.547 40.800 -0.149 0.000 0.909 177 D HN 0.425 nan 8.370 nan 0.000 0.520 178 K N 0.189 120.386 120.400 -0.338 0.000 2.426 178 K HA 0.190 4.490 4.320 -0.034 0.000 0.193 178 K C 0.845 177.317 176.600 -0.213 0.000 1.028 178 K CA -0.188 55.844 56.287 -0.424 0.000 1.047 178 K CB 0.659 32.576 32.500 -0.970 0.000 0.821 178 K HN 0.179 nan 8.250 nan 0.000 0.513 179 I N 4.256 124.776 120.570 -0.084 0.000 2.618 179 I HA -0.020 4.130 4.170 -0.034 0.000 0.284 179 I C -1.830 174.309 176.117 0.037 0.000 1.146 179 I CA -1.570 59.791 61.300 0.102 0.000 1.425 179 I CB 0.463 38.475 38.000 0.021 0.000 1.383 179 I HN -0.120 nan 8.210 nan 0.000 0.562 180 P HA 0.129 nan 4.420 nan 0.000 0.225 180 P C 0.305 177.592 177.300 -0.022 0.000 1.813 180 P CA -0.117 63.005 63.100 0.038 0.000 1.013 180 P CB 0.600 32.345 31.700 0.076 0.000 1.961 181 A N 2.856 125.619 122.820 -0.094 0.000 2.014 181 A HA -0.181 4.119 4.320 -0.034 0.000 0.218 181 A C 2.181 179.519 177.584 -0.409 0.000 1.163 181 A CA 0.991 52.889 52.037 -0.232 0.000 0.652 181 A CB -0.707 18.130 19.000 -0.272 0.000 0.808 181 A HN 0.481 nan 8.150 nan 0.000 0.449 182 Q N -0.555 119.033 119.800 -0.353 0.000 2.364 182 Q HA -0.122 4.198 4.340 -0.034 0.000 0.209 182 Q C 0.227 176.182 176.000 -0.076 0.000 0.977 182 Q CA 1.369 57.033 55.803 -0.232 0.000 0.885 182 Q CB -0.410 28.322 28.738 -0.011 0.000 0.941 182 Q HN 0.465 nan 8.270 nan 0.000 0.464 183 N N 0.427 119.107 118.700 -0.032 0.000 2.276 183 N HA 0.294 5.013 4.740 -0.034 0.000 0.212 183 N C -0.790 174.721 175.510 0.002 0.000 1.127 183 N CA 0.227 53.298 53.050 0.035 0.000 0.834 183 N CB 0.470 39.006 38.487 0.082 0.000 1.014 183 N HN 0.226 nan 8.380 nan 0.000 0.491 184 L N -0.847 120.357 121.223 -0.031 0.000 2.354 184 L HA 0.369 4.689 4.340 -0.034 0.000 0.264 184 L C 1.420 178.288 176.870 -0.004 0.000 1.008 184 L CA -0.510 54.326 54.840 -0.006 0.000 0.819 184 L CB 2.147 44.195 42.059 -0.018 0.000 1.339 184 L HN -0.053 nan 8.230 nan 0.000 0.420 185 T N -3.641 110.949 114.554 0.060 0.000 3.044 185 T HA 0.118 4.448 4.350 -0.034 0.000 0.255 185 T C 0.357 174.990 174.700 -0.112 0.000 1.073 185 T CA 0.589 62.708 62.100 0.032 0.000 1.125 185 T CB -0.067 68.904 68.868 0.171 0.000 0.908 185 T HN 0.507 nan 8.240 nan 0.000 0.480 186 H N -0.028 119.046 119.070 0.008 0.000 2.782 186 H HA 0.686 5.222 4.556 -0.034 0.000 0.347 186 H C -1.617 173.684 175.328 -0.044 0.000 1.038 186 H CA -0.906 55.147 56.048 0.008 0.000 1.255 186 H CB 1.854 31.640 29.762 0.041 0.000 1.623 186 H HN 0.158 nan 8.280 nan 0.000 0.525 187 L N 4.351 125.599 121.223 0.042 0.000 2.343 187 L HA 0.528 4.848 4.340 -0.034 0.000 0.278 187 L C -1.836 175.026 176.870 -0.014 0.000 0.996 187 L CA -0.461 54.373 54.840 -0.010 0.000 0.831 187 L CB 0.699 42.749 42.059 -0.014 0.000 1.232 187 L HN 0.493 nan 8.230 nan 0.000 0.413 188 L N 5.079 126.193 121.223 -0.183 0.000 2.331 188 L HA 0.475 4.794 4.340 -0.034 0.000 0.275 188 L C -1.156 175.722 176.870 0.013 0.000 1.022 188 L CA -0.418 54.287 54.840 -0.225 0.000 0.812 188 L CB 1.568 43.058 42.059 -0.948 0.000 1.257 188 L HN 0.537 nan 8.230 nan 0.000 0.435 189 Y N 1.082 121.433 120.300 0.085 0.000 2.369 189 Y HA 0.688 5.218 4.550 -0.034 0.000 0.337 189 Y C 0.281 176.270 175.900 0.148 0.000 0.961 189 Y CA -0.735 57.485 58.100 0.200 0.000 1.186 189 Y CB 1.374 40.060 38.460 0.378 0.000 1.139 189 Y HN 0.562 nan 8.280 nan 0.000 0.494 190 G N 5.581 114.135 108.800 -0.411 0.000 2.372 190 G HA2 0.573 4.512 3.960 -0.034 0.000 0.323 190 G HA3 0.573 4.512 3.960 -0.034 0.000 0.323 190 G C -1.843 172.791 174.900 -0.445 0.000 1.152 190 G CA -0.343 44.330 45.100 -0.711 0.000 0.906 190 G HN 0.454 nan 8.290 nan 0.000 0.460 191 F N 1.014 121.148 119.950 0.307 0.000 2.599 191 F HA 0.468 4.974 4.527 -0.034 0.000 0.311 191 F C -0.100 175.908 175.800 0.347 0.000 1.076 191 F CA -1.192 57.028 58.000 0.366 0.000 0.937 191 F CB 2.133 41.374 39.000 0.402 0.000 1.282 191 F HN 0.161 nan 8.300 nan 0.000 0.460 192 I N 4.881 125.739 120.570 0.480 0.000 2.352 192 I HA 0.234 4.384 4.170 -0.034 0.000 0.290 192 I C -2.233 173.954 176.117 0.118 0.000 1.036 192 I CA -2.414 59.022 61.300 0.227 0.000 1.336 192 I CB 0.542 38.519 38.000 -0.039 0.000 1.407 192 I HN 0.218 nan 8.210 nan 0.000 0.497 193 P HA 0.400 nan 4.420 nan 0.000 0.279 193 P C -0.631 176.571 177.300 -0.164 0.000 1.252 193 P CA -0.473 62.558 63.100 -0.116 0.000 0.811 193 P CB 1.766 33.318 31.700 -0.246 0.000 1.035 194 I N 1.478 121.902 120.570 -0.243 0.000 2.336 194 I HA 0.203 4.352 4.170 -0.034 0.000 0.292 194 I C 0.721 176.648 176.117 -0.315 0.000 0.991 194 I CA -0.778 60.370 61.300 -0.253 0.000 1.227 194 I CB 0.995 38.758 38.000 -0.396 0.000 1.366 194 I HN 0.276 nan 8.210 nan 0.000 0.466 195 c N 4.736 123.176 118.600 -0.268 0.000 2.679 195 c HA 0.578 5.128 4.570 -0.034 0.000 0.417 195 c C 0.856 174.685 174.090 -0.435 0.000 1.302 195 c CA 0.163 56.319 56.329 -0.288 0.000 1.973 195 c CB -0.603 41.796 42.510 -0.186 0.000 2.715 195 c HN 1.027 nan 8.230 nan 0.000 0.628 196 G N 1.787 110.348 108.800 -0.398 0.000 2.308 196 G HA2 0.502 4.442 3.960 -0.034 0.000 0.288 196 G HA3 0.502 4.442 3.960 -0.034 0.000 0.288 196 G C -0.451 174.267 174.900 -0.303 0.000 1.722 196 G CA -0.017 44.819 45.100 -0.440 0.000 0.924 196 G HN 1.075 nan 8.290 nan 0.000 0.732 197 G N 0.362 109.049 108.800 -0.188 0.000 3.182 197 G HA2 0.482 4.422 3.960 -0.034 0.000 0.167 197 G HA3 0.482 4.422 3.960 -0.034 0.000 0.167 197 G C 0.159 175.201 174.900 0.236 0.000 1.537 197 G CA -0.566 44.544 45.100 0.017 0.000 1.046 197 G HN 0.709 nan 8.290 nan 0.000 0.580 198 N N 0.617 119.467 118.700 0.251 0.000 2.356 198 N HA 0.281 5.000 4.740 -0.034 0.000 0.252 198 N C 1.263 176.783 175.510 0.017 0.000 1.241 198 N CA 1.393 54.502 53.050 0.098 0.000 0.861 198 N CB 0.889 39.401 38.487 0.042 0.000 1.075 198 N HN 1.064 nan 8.380 nan 0.000 0.461 199 G N 1.299 110.101 108.800 0.004 0.000 2.267 199 G HA2 -0.289 3.651 3.960 -0.034 0.000 0.257 199 G HA3 -0.289 3.651 3.960 -0.034 0.000 0.257 199 G C 0.840 175.750 174.900 0.016 0.000 0.998 199 G CA 0.494 45.610 45.100 0.026 0.000 0.620 199 G HN 0.556 nan 8.290 nan 0.000 0.529 200 I N -0.452 120.079 120.570 -0.065 0.000 3.718 200 I HA 0.228 4.378 4.170 -0.034 0.000 0.297 200 I C 1.125 177.212 176.117 -0.051 0.000 1.220 200 I CA 0.313 61.501 61.300 -0.186 0.000 1.381 200 I CB 0.230 37.953 38.000 -0.462 0.000 1.238 200 I HN 0.047 nan 8.210 nan 0.000 0.448 201 N N 0.861 119.581 118.700 0.034 0.000 2.480 201 N HA 0.079 4.799 4.740 -0.034 0.000 0.281 201 N C -0.058 175.551 175.510 0.165 0.000 1.381 201 N CA 0.093 53.193 53.050 0.083 0.000 0.903 201 N CB 0.550 39.050 38.487 0.021 0.000 1.274 201 N HN 0.135 nan 8.380 nan 0.000 0.505 202 D N 0.225 120.649 120.400 0.040 0.000 2.218 202 D HA -0.065 4.555 4.640 -0.034 0.000 0.204 202 D C 1.467 177.720 176.300 -0.078 0.000 0.976 202 D CA 1.022 54.962 54.000 -0.099 0.000 0.853 202 D CB 0.180 40.915 40.800 -0.108 0.000 0.939 202 D HN 0.088 nan 8.370 nan 0.000 0.481 203 S N 0.419 116.090 115.700 -0.048 0.000 2.440 203 S HA -0.078 4.372 4.470 -0.034 0.000 0.238 203 S C 2.019 176.611 174.600 -0.012 0.000 1.010 203 S CA 0.288 58.450 58.200 -0.063 0.000 0.972 203 S CB -0.107 63.016 63.200 -0.130 0.000 0.774 203 S HN 0.322 nan 8.310 nan 0.000 0.501 204 L N 0.815 122.066 121.223 0.047 0.000 2.275 204 L HA -0.046 4.274 4.340 -0.034 0.000 0.215 204 L C 2.071 179.007 176.870 0.111 0.000 1.119 204 L CA 0.955 55.862 54.840 0.111 0.000 0.790 204 L CB -0.274 41.912 42.059 0.212 0.000 0.919 204 L HN 0.277 nan 8.230 nan 0.000 0.443 205 K N -0.343 120.064 120.400 0.013 0.000 2.362 205 K HA -0.140 4.160 4.320 -0.034 0.000 0.200 205 K C 1.742 178.333 176.600 -0.015 0.000 1.046 205 K CA 0.671 56.923 56.287 -0.059 0.000 0.952 205 K CB 0.071 32.422 32.500 -0.248 0.000 0.753 205 K HN 0.248 nan 8.250 nan 0.000 0.466 206 E N 0.604 120.808 120.200 0.006 0.000 2.204 206 E HA -0.101 4.228 4.350 -0.034 0.000 0.194 206 E C 0.599 177.219 176.600 0.034 0.000 0.989 206 E CA 0.683 57.098 56.400 0.025 0.000 0.824 206 E CB 0.012 29.741 29.700 0.049 0.000 0.756 206 E HN 0.213 nan 8.360 nan 0.000 0.477 207 I N 2.368 122.962 120.570 0.040 0.000 2.337 207 I HA 0.098 4.247 4.170 -0.034 0.000 0.291 207 I C 0.765 176.903 176.117 0.035 0.000 1.046 207 I CA -0.815 60.501 61.300 0.026 0.000 1.324 207 I CB 0.064 38.070 38.000 0.010 0.000 1.409 207 I HN -0.028 nan 8.210 nan 0.000 0.494 208 E N 4.615 124.829 120.200 0.023 0.000 2.465 208 E HA 0.167 4.497 4.350 -0.034 0.000 0.260 208 E C 1.292 177.910 176.600 0.029 0.000 0.980 208 E CA 0.943 57.359 56.400 0.026 0.000 0.927 208 E CB 0.414 30.123 29.700 0.016 0.000 0.934 208 E HN 0.904 nan 8.360 nan 0.000 0.459 209 G N 3.084 111.913 108.800 0.049 0.000 2.245 209 G HA2 -0.399 3.541 3.960 -0.034 0.000 0.264 209 G HA3 -0.399 3.541 3.960 -0.034 0.000 0.264 209 G C 1.089 176.040 174.900 0.084 0.000 0.985 209 G CA 0.776 45.908 45.100 0.053 0.000 0.625 209 G HN 0.592 nan 8.290 nan 0.000 0.536 210 S N -0.733 115.032 115.700 0.108 0.000 2.355 210 S HA 0.070 4.520 4.470 -0.034 0.000 0.222 210 S C 1.968 176.735 174.600 0.277 0.000 1.031 210 S CA 1.741 60.046 58.200 0.174 0.000 0.993 210 S CB -0.308 62.983 63.200 0.151 0.000 0.859 210 S HN 0.811 nan 8.310 nan 0.000 0.453 211 F N 2.190 122.186 119.950 0.077 0.000 2.126 211 F HA -0.176 4.331 4.527 -0.034 0.000 0.299 211 F C 2.249 178.070 175.800 0.036 0.000 1.096 211 F CA 2.094 60.114 58.000 0.033 0.000 1.255 211 F CB -0.604 38.395 39.000 -0.002 0.000 0.997 211 F HN 0.254 nan 8.300 nan 0.000 0.479 212 Q N 0.601 120.493 119.800 0.154 0.000 2.020 212 Q HA -0.143 4.177 4.340 -0.034 0.000 0.202 212 Q C 2.508 178.499 176.000 -0.015 0.000 0.982 212 Q CA 2.003 57.834 55.803 0.046 0.000 0.838 212 Q CB -1.021 27.779 28.738 0.103 0.000 0.899 212 Q HN 0.498 nan 8.270 nan 0.000 0.423 213 A N 0.683 123.535 122.820 0.053 0.000 1.903 213 A HA -0.247 4.052 4.320 -0.034 0.000 0.219 213 A C 2.086 179.721 177.584 0.086 0.000 1.191 213 A CA 1.814 53.900 52.037 0.081 0.000 0.638 213 A CB -0.958 18.104 19.000 0.103 0.000 0.823 213 A HN 0.383 nan 8.150 nan 0.000 0.451 214 L N -0.568 120.689 121.223 0.057 0.000 2.083 214 L HA -0.192 4.128 4.340 -0.034 0.000 0.209 214 L C 2.431 179.197 176.870 -0.174 0.000 1.083 214 L CA 2.207 56.995 54.840 -0.088 0.000 0.752 214 L CB -0.547 41.332 42.059 -0.301 0.000 0.899 214 L HN 0.409 nan 8.230 nan 0.000 0.433 215 Q N -0.532 119.106 119.800 -0.270 0.000 2.119 215 Q HA -0.215 4.105 4.340 -0.034 0.000 0.201 215 Q C 2.378 178.322 176.000 -0.094 0.000 0.972 215 Q CA 1.619 57.281 55.803 -0.236 0.000 0.847 215 Q CB -0.510 28.053 28.738 -0.292 0.000 0.903 215 Q HN 0.546 nan 8.270 nan 0.000 0.433 216 R N 0.462 120.937 120.500 -0.042 0.000 2.075 216 R HA -0.070 4.249 4.340 -0.034 0.000 0.232 216 R C 2.465 178.791 176.300 0.043 0.000 1.126 216 R CA 1.461 57.566 56.100 0.010 0.000 0.963 216 R CB -0.252 30.066 30.300 0.029 0.000 0.858 216 R HN 0.167 nan 8.270 nan 0.000 0.435 217 S N -0.593 115.141 115.700 0.058 0.000 2.368 217 S HA -0.136 4.314 4.470 -0.034 0.000 0.225 217 S C 1.463 176.126 174.600 0.106 0.000 1.030 217 S CA 1.356 59.622 58.200 0.111 0.000 0.999 217 S CB -0.242 63.028 63.200 0.118 0.000 0.844 217 S HN 0.620 nan 8.310 nan 0.000 0.459 218 c N 2.303 120.920 118.600 0.029 0.000 2.524 218 c HA 0.333 4.883 4.570 -0.034 0.000 0.301 218 c C 0.875 174.971 174.090 0.011 0.000 1.296 218 c CA -0.685 55.652 56.329 0.013 0.000 1.683 218 c CB -2.249 40.216 42.510 -0.075 0.000 1.764 218 c HN 0.648 nan 8.230 nan 0.000 0.597 219 Q N 0.634 120.449 119.800 0.025 0.000 2.311 219 Q HA 0.363 4.683 4.340 -0.034 0.000 0.272 219 Q C 1.291 177.311 176.000 0.033 0.000 1.012 219 Q CA 1.209 57.023 55.803 0.018 0.000 0.891 219 Q CB 0.292 29.044 28.738 0.023 0.000 1.201 219 Q HN 0.634 nan 8.270 nan 0.000 0.391 220 G N 3.460 112.272 108.800 0.021 0.000 2.168 220 G HA2 -0.343 3.597 3.960 -0.034 0.000 0.263 220 G HA3 -0.343 3.597 3.960 -0.034 0.000 0.263 220 G C 0.043 174.965 174.900 0.036 0.000 0.977 220 G CA 0.578 45.694 45.100 0.027 0.000 0.659 220 G HN 0.634 nan 8.290 nan 0.000 0.533 221 R N 0.656 121.179 120.500 0.038 0.000 2.514 221 R HA 0.523 4.843 4.340 -0.034 0.000 0.301 221 R C 0.172 176.486 176.300 0.024 0.000 0.962 221 R CA -0.706 55.427 56.100 0.054 0.000 0.882 221 R CB 0.834 31.189 30.300 0.091 0.000 1.143 221 R HN 0.368 nan 8.270 nan 0.000 0.452 222 E N 1.963 122.186 120.200 0.038 0.000 2.398 222 E HA -0.007 4.323 4.350 -0.034 0.000 0.263 222 E C -0.623 175.975 176.600 -0.003 0.000 1.046 222 E CA -0.124 56.294 56.400 0.030 0.000 0.908 222 E CB 0.645 30.381 29.700 0.060 0.000 0.963 222 E HN 0.471 nan 8.360 nan 0.000 0.431 223 D N 1.058 121.435 120.400 -0.038 0.000 2.362 223 D HA 0.032 4.652 4.640 -0.034 0.000 0.242 223 D C 0.230 176.501 176.300 -0.049 0.000 1.132 223 D CA 0.234 54.109 54.000 -0.209 0.000 0.907 223 D CB 0.351 40.927 40.800 -0.374 0.000 1.195 223 D HN 0.446 nan 8.370 nan 0.000 0.429 224 F N -1.777 118.121 119.950 -0.087 0.000 2.582 224 F HA -0.240 4.267 4.527 -0.034 0.000 0.350 224 F C 0.712 176.548 175.800 0.060 0.000 0.615 224 F CA 0.531 58.494 58.000 -0.061 0.000 1.488 224 F CB -1.360 37.605 39.000 -0.059 0.000 1.958 224 F HN 0.182 nan 8.300 nan 0.000 0.294 225 K N 1.082 121.550 120.400 0.113 0.000 2.123 225 K HA 0.694 4.993 4.320 -0.034 0.000 0.259 225 K C 0.309 176.938 176.600 0.049 0.000 0.960 225 K CA -0.537 55.817 56.287 0.112 0.000 0.872 225 K CB 2.320 34.877 32.500 0.095 0.000 1.079 225 K HN 0.016 nan 8.250 nan 0.000 0.440 226 V N -0.926 119.004 119.914 0.027 0.000 3.003 226 V HA 0.422 4.522 4.120 -0.034 0.000 0.305 226 V C 0.305 176.320 176.094 -0.132 0.000 1.078 226 V CA -0.214 62.037 62.300 -0.081 0.000 1.083 226 V CB 1.435 33.118 31.823 -0.234 0.000 1.039 226 V HN 0.819 nan 8.190 nan 0.000 0.481 227 S N 1.392 116.949 115.700 -0.238 0.000 3.121 227 S HA 0.710 5.159 4.470 -0.034 0.000 0.324 227 S C -1.088 173.310 174.600 -0.337 0.000 1.192 227 S CA -0.835 57.079 58.200 -0.476 0.000 0.937 227 S CB 1.257 64.314 63.200 -0.239 0.000 1.336 227 S HN 0.757 nan 8.310 nan 0.000 0.664 228 I N 1.627 122.046 120.570 -0.252 0.000 2.436 228 I HA 0.382 4.532 4.170 -0.034 0.000 0.289 228 I C 0.945 177.165 176.117 0.171 0.000 1.010 228 I CA -0.430 60.896 61.300 0.043 0.000 1.098 228 I CB 1.905 39.944 38.000 0.065 0.000 1.266 228 I HN 0.870 nan 8.210 nan 0.000 0.434 229 H N 3.603 122.755 119.070 0.135 0.000 2.363 229 H HA -0.031 4.505 4.556 -0.034 0.000 0.301 229 H C 0.157 175.578 175.328 0.155 0.000 1.074 229 H CA 0.730 56.857 56.048 0.132 0.000 1.354 229 H CB 0.652 30.524 29.762 0.183 0.000 1.397 229 H HN 0.529 nan 8.280 nan 0.000 0.516 230 D N -0.518 120.045 120.400 0.272 0.000 2.438 230 D HA 0.137 4.756 4.640 -0.034 0.000 0.257 230 D C -2.080 174.348 176.300 0.213 0.000 1.148 230 D CA -2.464 51.667 54.000 0.219 0.000 0.902 230 D CB 1.359 42.299 40.800 0.233 0.000 1.062 230 D HN 0.104 nan 8.370 nan 0.000 0.518 231 P HA -0.084 nan 4.420 nan 0.000 0.218 231 P C 1.289 178.689 177.300 0.167 0.000 1.148 231 P CA 0.507 63.702 63.100 0.158 0.000 0.822 231 P CB 0.085 31.909 31.700 0.207 0.000 0.784 232 F N 1.108 121.124 119.950 0.110 0.000 2.051 232 F HA -0.159 4.348 4.527 -0.034 0.000 0.296 232 F C 2.268 178.130 175.800 0.103 0.000 1.122 232 F CA 1.780 59.852 58.000 0.119 0.000 1.201 232 F CB -1.040 38.057 39.000 0.161 0.000 0.978 232 F HN -0.127 nan 8.300 nan 0.000 0.472 233 A N 0.148 123.036 122.820 0.112 0.000 1.933 233 A HA -0.026 4.273 4.320 -0.034 0.000 0.218 233 A C 2.335 179.876 177.584 -0.072 0.000 1.175 233 A CA 1.796 53.798 52.037 -0.060 0.000 0.628 233 A CB -1.542 17.491 19.000 0.056 0.000 0.814 233 A HN 0.520 nan 8.150 nan 0.000 0.444 234 A N -1.460 121.335 122.820 -0.042 0.000 1.968 234 A HA 0.275 4.575 4.320 -0.034 0.000 0.217 234 A C 1.871 179.258 177.584 -0.328 0.000 1.169 234 A CA 1.459 53.373 52.037 -0.206 0.000 0.638 234 A CB -0.185 18.527 19.000 -0.481 0.000 0.812 234 A HN 0.461 nan 8.150 nan 0.000 0.446 235 L N -2.577 118.507 121.223 -0.232 0.000 3.227 235 L HA 0.135 4.454 4.340 -0.034 0.000 0.287 235 L C 1.629 178.447 176.870 -0.087 0.000 1.161 235 L CA 0.150 54.908 54.840 -0.137 0.000 1.048 235 L CB 0.448 42.464 42.059 -0.072 0.000 1.541 235 L HN 0.202 nan 8.230 nan 0.000 0.590 236 Q N -0.325 119.352 119.800 -0.205 0.000 2.245 236 Q HA 0.159 4.479 4.340 -0.034 0.000 0.250 236 Q C 0.387 176.123 176.000 -0.441 0.000 0.830 236 Q CA -0.002 55.683 55.803 -0.197 0.000 0.950 236 Q CB 1.331 30.073 28.738 0.007 0.000 1.124 236 Q HN 0.176 nan 8.270 nan 0.000 0.502 237 K N 1.720 121.612 120.400 -0.848 0.000 2.401 237 K HA 0.310 4.609 4.320 -0.034 0.000 0.278 237 K C -0.364 176.073 176.600 -0.271 0.000 1.018 237 K CA -0.051 55.769 56.287 -0.779 0.000 0.981 237 K CB 0.701 32.739 32.500 -0.771 0.000 0.933 237 K HN 0.023 nan 8.250 nan 0.000 0.477 238 A N 4.451 127.209 122.820 -0.102 0.000 2.520 238 A HA 0.078 4.378 4.320 -0.034 0.000 0.245 238 A C -0.528 177.021 177.584 -0.059 0.000 1.072 238 A CA 0.146 52.157 52.037 -0.043 0.000 0.761 238 A CB 0.332 19.342 19.000 0.017 0.000 1.004 238 A HN 0.697 nan 8.150 nan 0.000 0.499 239 Q N 0.733 120.495 119.800 -0.064 0.000 2.501 239 Q HA 0.293 4.613 4.340 -0.034 0.000 0.288 239 Q C -0.727 175.233 176.000 -0.067 0.000 1.051 239 Q CA -0.912 54.848 55.803 -0.072 0.000 0.788 239 Q CB 1.642 30.323 28.738 -0.095 0.000 1.469 239 Q HN 0.831 nan 8.270 nan 0.000 0.416 240 K N 0.079 120.436 120.400 -0.072 0.000 2.466 240 K HA 0.101 4.400 4.320 -0.034 0.000 0.278 240 K C 0.806 177.359 176.600 -0.079 0.000 1.048 240 K CA 1.632 57.878 56.287 -0.069 0.000 1.088 240 K CB -0.290 32.164 32.500 -0.075 0.000 0.884 240 K HN 0.815 nan 8.250 nan 0.000 0.478 241 G N 2.051 110.811 108.800 -0.067 0.000 2.225 241 G HA2 -0.282 3.657 3.960 -0.034 0.000 0.254 241 G HA3 -0.282 3.657 3.960 -0.034 0.000 0.254 241 G C 0.074 174.934 174.900 -0.068 0.000 0.988 241 G CA 0.240 45.297 45.100 -0.072 0.000 0.625 241 G HN 0.980 nan 8.290 nan 0.000 0.527 242 V N -1.336 118.540 119.914 -0.062 0.000 2.562 242 V HA 0.731 4.830 4.120 -0.034 0.000 0.274 242 V C 0.845 176.914 176.094 -0.042 0.000 1.075 242 V CA 0.857 63.126 62.300 -0.051 0.000 1.204 242 V CB -0.129 31.665 31.823 -0.048 0.000 1.478 242 V HN 0.889 nan 8.190 nan 0.000 0.622 243 T N -2.120 112.415 114.554 -0.032 0.000 3.023 243 T HA 0.507 4.836 4.350 -0.034 0.000 0.253 243 T C 0.926 175.632 174.700 0.009 0.000 1.038 243 T CA 0.636 62.731 62.100 -0.008 0.000 0.962 243 T CB 0.531 69.399 68.868 -0.000 0.000 1.018 243 T HN 1.154 nan 8.240 nan 0.000 0.521 244 A N 2.617 125.424 122.820 -0.023 0.000 2.462 244 A HA 0.402 4.702 4.320 -0.034 0.000 0.243 244 A C 1.388 178.954 177.584 -0.030 0.000 1.076 244 A CA -0.306 51.713 52.037 -0.030 0.000 0.773 244 A CB -0.166 18.764 19.000 -0.117 0.000 1.010 244 A HN 0.654 nan 8.150 nan 0.000 0.493 245 W N 2.356 123.641 121.300 -0.026 0.000 2.342 245 W HA -0.190 4.449 4.660 -0.034 0.000 0.297 245 W C -0.012 176.482 176.519 -0.041 0.000 1.213 245 W CA 1.617 58.948 57.345 -0.024 0.000 1.251 245 W CB -0.720 28.729 29.460 -0.020 0.000 1.136 245 W HN 0.741 nan 8.180 nan 0.000 0.526 246 D N 0.101 119.847 120.400 -1.089 0.000 2.342 246 D HA -0.005 4.615 4.640 -0.034 0.000 0.221 246 D C -0.467 175.478 176.300 -0.591 0.000 1.101 246 D CA -0.157 53.151 54.000 -1.153 0.000 0.837 246 D CB -0.883 38.847 40.800 -1.782 0.000 0.938 246 D HN -0.172 nan 8.370 nan 0.000 0.508 247 D N 2.459 122.635 120.400 -0.374 0.000 2.382 247 D HA 0.033 4.652 4.640 -0.034 0.000 0.259 247 D C -1.119 175.016 176.300 -0.275 0.000 1.224 247 D CA -1.442 52.404 54.000 -0.256 0.000 0.894 247 D CB 1.556 42.274 40.800 -0.137 0.000 1.127 247 D HN 0.080 nan 8.370 nan 0.000 0.487 248 P HA -0.139 nan 4.420 nan 0.000 0.216 248 P C -0.228 176.794 177.300 -0.464 0.000 1.153 248 P CA 1.135 63.890 63.100 -0.574 0.000 0.848 248 P CB 0.105 31.201 31.700 -1.006 0.000 0.787 249 Y N 0.037 120.373 120.300 0.059 0.000 2.356 249 Y HA 0.422 4.952 4.550 -0.034 0.000 0.334 249 Y C 1.151 177.061 175.900 0.018 0.000 0.958 249 Y CA -0.940 57.214 58.100 0.089 0.000 1.196 249 Y CB 0.908 39.472 38.460 0.173 0.000 1.137 249 Y HN -0.186 nan 8.280 nan 0.000 0.485 250 K N 1.054 121.505 120.400 0.085 0.000 2.247 250 K HA 0.779 5.079 4.320 -0.034 0.000 0.264 250 K C 0.667 177.234 176.600 -0.055 0.000 1.034 250 K CA -0.587 55.694 56.287 -0.010 0.000 1.129 250 K CB 0.439 32.909 32.500 -0.050 0.000 1.646 250 K HN 0.721 nan 8.250 nan 0.000 0.738 251 G N 1.018 109.746 108.800 -0.121 0.000 2.575 251 G HA2 -0.306 3.634 3.960 -0.034 0.000 0.267 251 G HA3 -0.306 3.634 3.960 -0.034 0.000 0.267 251 G C 0.306 175.155 174.900 -0.085 0.000 1.264 251 G CA 0.461 45.474 45.100 -0.145 0.000 0.935 251 G HN 0.583 nan 8.290 nan 0.000 0.568 252 N N -0.602 118.091 118.700 -0.011 0.000 2.216 252 N HA 0.022 4.741 4.740 -0.034 0.000 0.183 252 N C 2.113 177.582 175.510 -0.069 0.000 1.017 252 N CA 1.626 54.697 53.050 0.036 0.000 0.861 252 N CB -0.328 38.372 38.487 0.355 0.000 0.986 252 N HN 0.382 nan 8.380 nan 0.000 0.428 253 F N 1.265 120.998 119.950 -0.361 0.000 2.146 253 F HA 0.075 4.581 4.527 -0.034 0.000 0.298 253 F C 2.541 177.960 175.800 -0.635 0.000 1.096 253 F CA 0.710 58.343 58.000 -0.610 0.000 1.275 253 F CB -1.186 37.509 39.000 -0.508 0.000 1.008 253 F HN 0.048 nan 8.300 nan 0.000 0.480 254 G N -0.843 107.891 108.800 -0.110 0.000 2.418 254 G HA2 -0.222 3.718 3.960 -0.034 0.000 0.217 254 G HA3 -0.222 3.718 3.960 -0.034 0.000 0.217 254 G C 1.571 176.334 174.900 -0.227 0.000 1.158 254 G CA 0.492 45.539 45.100 -0.088 0.000 0.771 254 G HN 0.339 nan 8.290 nan 0.000 0.545 255 Q N -0.280 119.374 119.800 -0.244 0.000 2.084 255 Q HA 0.048 4.368 4.340 -0.034 0.000 0.202 255 Q C 2.691 178.469 176.000 -0.371 0.000 0.978 255 Q CA 0.754 56.397 55.803 -0.267 0.000 0.844 255 Q CB -0.247 28.349 28.738 -0.236 0.000 0.898 255 Q HN 0.443 nan 8.270 nan 0.000 0.426 256 L N 0.036 120.936 121.223 -0.539 0.000 2.083 256 L HA -0.214 4.105 4.340 -0.034 0.000 0.209 256 L C 2.489 178.930 176.870 -0.715 0.000 1.083 256 L CA 1.044 55.480 54.840 -0.672 0.000 0.752 256 L CB -0.338 41.150 42.059 -0.951 0.000 0.899 256 L HN 0.325 nan 8.230 nan 0.000 0.433 257 M N -0.726 118.353 119.600 -0.868 0.000 2.108 257 M HA -0.218 4.242 4.480 -0.034 0.000 0.261 257 M C 2.432 178.546 176.300 -0.309 0.000 1.066 257 M CA 2.069 57.047 55.300 -0.537 0.000 1.107 257 M CB -0.480 31.888 32.600 -0.386 0.000 1.356 257 M HN 0.318 nan 8.290 nan 0.000 0.406 258 A N -0.312 122.331 122.820 -0.295 0.000 2.014 258 A HA -0.072 4.227 4.320 -0.034 0.000 0.218 258 A C 2.027 179.496 177.584 -0.191 0.000 1.163 258 A CA 0.920 52.821 52.037 -0.227 0.000 0.652 258 A CB -0.573 18.304 19.000 -0.206 0.000 0.808 258 A HN 0.413 nan 8.150 nan 0.000 0.449 259 L N -0.630 120.476 121.223 -0.196 0.000 2.093 259 L HA -0.060 4.259 4.340 -0.034 0.000 0.208 259 L C 2.076 178.909 176.870 -0.061 0.000 1.085 259 L CA 1.749 56.527 54.840 -0.105 0.000 0.755 259 L CB -0.309 41.678 42.059 -0.120 0.000 0.904 259 L HN 0.089 nan 8.230 nan 0.000 0.435 260 K N -0.474 119.861 120.400 -0.109 0.000 2.097 260 K HA -0.108 4.192 4.320 -0.034 0.000 0.205 260 K C 2.061 178.612 176.600 -0.082 0.000 1.050 260 K CA 0.973 57.222 56.287 -0.065 0.000 0.938 260 K CB -0.271 32.197 32.500 -0.053 0.000 0.718 260 K HN 0.446 nan 8.250 nan 0.000 0.442 261 Q N -0.039 119.688 119.800 -0.121 0.000 2.084 261 Q HA -0.068 4.251 4.340 -0.034 0.000 0.202 261 Q C 2.055 177.954 176.000 -0.167 0.000 0.978 261 Q CA 1.513 57.238 55.803 -0.130 0.000 0.844 261 Q CB -0.337 28.313 28.738 -0.147 0.000 0.898 261 Q HN 0.283 nan 8.270 nan 0.000 0.426 262 A N 0.742 123.426 122.820 -0.228 0.000 1.968 262 A HA -0.100 4.200 4.320 -0.034 0.000 0.217 262 A C 0.655 177.873 177.584 -0.609 0.000 1.169 262 A CA 0.875 52.660 52.037 -0.420 0.000 0.638 262 A CB -0.107 18.599 19.000 -0.490 0.000 0.812 262 A HN 0.304 nan 8.150 nan 0.000 0.446 263 H N -1.482 117.546 119.070 -0.070 0.000 2.448 263 H HA 0.229 4.765 4.556 -0.034 0.000 0.237 263 H C -2.297 172.995 175.328 -0.059 0.000 1.391 263 H CA -1.652 54.361 56.048 -0.058 0.000 1.477 263 H CB 0.660 30.388 29.762 -0.057 0.000 1.520 263 H HN 0.252 nan 8.280 nan 0.000 0.502 264 P HA -0.103 nan 4.420 nan 0.000 0.222 264 P C 0.904 178.199 177.300 -0.009 0.000 1.147 264 P CA 1.128 64.220 63.100 -0.013 0.000 0.790 264 P CB 0.583 32.266 31.700 -0.029 0.000 0.780 265 D N -1.411 118.994 120.400 0.009 0.000 2.369 265 D HA 0.066 4.686 4.640 -0.034 0.000 0.211 265 D C 0.613 176.891 176.300 -0.036 0.000 1.077 265 D CA -0.198 53.794 54.000 -0.013 0.000 0.842 265 D CB 0.035 40.835 40.800 -0.000 0.000 0.947 265 D HN 0.113 nan 8.370 nan 0.000 0.509 266 L N 2.126 123.342 121.223 -0.013 0.000 2.499 266 L HA 0.024 4.343 4.340 -0.034 0.000 0.273 266 L C 0.034 176.846 176.870 -0.097 0.000 1.195 266 L CA 0.050 54.852 54.840 -0.063 0.000 0.882 266 L CB 0.378 42.417 42.059 -0.034 0.000 1.133 266 L HN -0.322 nan 8.230 nan 0.000 0.483 267 K N 7.386 127.664 120.400 -0.204 0.000 2.276 267 K HA 0.370 4.669 4.320 -0.034 0.000 0.285 267 K C -0.607 175.977 176.600 -0.027 0.000 1.062 267 K CA 0.023 56.213 56.287 -0.162 0.000 0.918 267 K CB 0.783 33.082 32.500 -0.336 0.000 1.055 267 K HN 0.600 nan 8.250 nan 0.000 0.477 268 I N 5.192 125.800 120.570 0.063 0.000 2.354 268 I HA 0.270 4.420 4.170 -0.034 0.000 0.286 268 I C -0.281 176.034 176.117 0.329 0.000 1.007 268 I CA -0.641 60.753 61.300 0.157 0.000 1.167 268 I CB 0.696 38.767 38.000 0.119 0.000 1.320 268 I HN 0.245 nan 8.210 nan 0.000 0.458 269 L N 8.452 129.863 121.223 0.313 0.000 2.346 269 L HA 0.557 4.876 4.340 -0.034 0.000 0.276 269 L C -2.421 174.563 176.870 0.189 0.000 1.006 269 L CA -2.012 52.995 54.840 0.278 0.000 0.817 269 L CB 2.142 44.343 42.059 0.237 0.000 1.272 269 L HN 0.288 nan 8.230 nan 0.000 0.421 270 P HA 0.086 nan 4.420 nan 0.000 0.281 270 P C -0.793 176.557 177.300 0.082 0.000 1.252 270 P CA -0.286 62.653 63.100 -0.268 0.000 0.778 270 P CB 1.629 32.803 31.700 -0.875 0.000 0.895 271 S N 3.426 119.303 115.700 0.294 0.000 2.437 271 S HA 0.525 4.975 4.470 -0.034 0.000 0.305 271 S C -0.225 174.709 174.600 0.555 0.000 1.109 271 S CA -0.816 57.671 58.200 0.479 0.000 1.099 271 S CB -0.252 63.374 63.200 0.711 0.000 1.004 271 S HN 0.226 nan 8.310 nan 0.000 0.475 272 I N 5.261 126.100 120.570 0.447 0.000 2.312 272 I HA 0.601 4.750 4.170 -0.034 0.000 0.290 272 I C 1.039 177.390 176.117 0.389 0.000 1.008 272 I CA -0.061 61.467 61.300 0.379 0.000 1.226 272 I CB 0.843 39.071 38.000 0.380 0.000 1.371 272 I HN 0.967 nan 8.210 nan 0.000 0.468 273 G N 4.264 113.147 108.800 0.138 0.000 2.436 273 G HA2 0.322 4.261 3.960 -0.034 0.000 0.205 273 G HA3 0.322 4.261 3.960 -0.034 0.000 0.205 273 G C 0.028 174.502 174.900 -0.712 0.000 1.188 273 G CA 0.081 45.170 45.100 -0.018 0.000 1.267 273 G HN 1.415 nan 8.290 nan 0.000 0.536 274 G N -1.797 106.575 108.800 -0.714 0.000 2.728 274 G HA2 -0.009 3.931 3.960 -0.034 0.000 0.294 274 G HA3 -0.009 3.931 3.960 -0.034 0.000 0.294 274 G C 0.831 175.532 174.900 -0.332 0.000 1.342 274 G CA 0.545 45.094 45.100 -0.919 0.000 0.866 274 G HN 1.846 nan 8.290 nan 0.000 0.534 275 W N 0.134 121.229 121.300 -0.342 0.000 2.338 275 W HA -0.160 4.481 4.660 -0.033 0.000 0.304 275 W C 2.395 178.821 176.519 -0.156 0.000 1.212 275 W CA 3.095 60.307 57.345 -0.222 0.000 1.264 275 W CB -0.311 29.059 29.460 -0.150 0.000 1.142 275 W HN 0.984 nan 8.180 nan 0.000 0.512 276 T N -1.936 112.603 114.554 -0.024 0.000 3.069 276 T HA 0.173 4.503 4.350 -0.034 0.000 0.252 276 T C 1.037 175.673 174.700 -0.106 0.000 1.053 276 T CA 0.061 62.122 62.100 -0.065 0.000 0.964 276 T CB -0.381 68.512 68.868 0.042 0.000 1.005 276 T HN 0.080 nan 8.240 nan 0.000 0.532 277 L N 0.816 121.943 121.223 -0.159 0.000 3.255 277 L HA 0.458 4.777 4.340 -0.034 0.000 0.293 277 L C 1.204 177.958 176.870 -0.194 0.000 1.302 277 L CA -0.221 54.512 54.840 -0.178 0.000 0.977 277 L CB 0.697 42.651 42.059 -0.174 0.000 1.390 277 L HN 0.084 nan 8.230 nan 0.000 0.588 278 S N -0.848 114.778 115.700 -0.123 0.000 2.511 278 S HA -0.004 4.446 4.470 -0.034 0.000 0.214 278 S C 1.152 175.755 174.600 0.004 0.000 0.997 278 S CA -0.083 58.125 58.200 0.013 0.000 0.908 278 S CB 0.226 63.476 63.200 0.085 0.000 0.803 278 S HN 0.396 nan 8.310 nan 0.000 0.504 279 D N 2.542 122.970 120.400 0.046 0.000 2.158 279 D HA -0.073 4.547 4.640 -0.034 0.000 0.197 279 D C -0.960 175.495 176.300 0.258 0.000 0.995 279 D CA 1.229 55.381 54.000 0.254 0.000 0.846 279 D CB -1.572 39.328 40.800 0.167 0.000 0.941 279 D HN 0.326 nan 8.370 nan 0.000 0.456 280 P HA -0.085 nan 4.420 nan 0.000 0.218 280 P C 1.213 178.463 177.300 -0.083 0.000 1.149 280 P CA 0.717 63.840 63.100 0.039 0.000 0.817 280 P CB -0.132 31.343 31.700 -0.374 0.000 0.785 281 F N -1.783 117.840 119.950 -0.546 0.000 2.202 281 F HA -0.131 4.375 4.527 -0.034 0.000 0.301 281 F C 1.854 177.008 175.800 -1.077 0.000 1.082 281 F CA 1.159 58.441 58.000 -1.197 0.000 1.313 281 F CB -1.602 35.956 39.000 -2.402 0.000 1.024 281 F HN -0.125 nan 8.300 nan 0.000 0.495 282 F N -1.691 118.052 119.950 -0.345 0.000 2.494 282 F HA -0.124 4.382 4.527 -0.034 0.000 0.298 282 F C 1.618 177.158 175.800 -0.434 0.000 1.106 282 F CA 0.804 58.649 58.000 -0.258 0.000 1.452 282 F CB -1.079 37.761 39.000 -0.268 0.000 1.085 282 F HN -0.092 nan 8.300 nan 0.000 0.569 283 F N -1.463 118.498 119.950 0.018 0.000 2.727 283 F HA 0.135 4.641 4.527 -0.034 0.000 0.302 283 F C 1.749 177.411 175.800 -0.229 0.000 1.097 283 F CA 0.208 58.156 58.000 -0.086 0.000 1.330 283 F CB -0.633 38.300 39.000 -0.112 0.000 1.084 283 F HN -0.097 nan 8.300 nan 0.000 0.578 284 M N -0.171 119.358 119.600 -0.118 0.000 2.628 284 M HA 0.110 4.570 4.480 -0.034 0.000 0.232 284 M C 2.167 178.432 176.300 -0.058 0.000 1.128 284 M CA 0.380 55.590 55.300 -0.151 0.000 1.040 284 M CB -0.437 32.049 32.600 -0.191 0.000 1.608 284 M HN 0.247 nan 8.290 nan 0.000 0.507 285 G N 0.113 108.904 108.800 -0.015 0.000 2.471 285 G HA2 -0.163 3.776 3.960 -0.034 0.000 0.219 285 G HA3 -0.163 3.776 3.960 -0.034 0.000 0.219 285 G C 0.369 175.262 174.900 -0.011 0.000 1.125 285 G CA 0.182 45.291 45.100 0.015 0.000 0.775 285 G HN 0.356 nan 8.290 nan 0.000 0.548 286 D N 0.305 120.681 120.400 -0.041 0.000 2.342 286 D HA 0.084 4.704 4.640 -0.034 0.000 0.260 286 D C 1.480 177.739 176.300 -0.069 0.000 1.278 286 D CA -0.147 53.818 54.000 -0.058 0.000 0.910 286 D CB 0.811 41.558 40.800 -0.087 0.000 1.079 286 D HN 0.195 nan 8.370 nan 0.000 0.496 287 K N 2.673 123.053 120.400 -0.033 0.000 2.211 287 K HA -0.116 4.183 4.320 -0.034 0.000 0.204 287 K C 1.620 178.204 176.600 -0.027 0.000 1.047 287 K CA 0.807 57.082 56.287 -0.020 0.000 0.935 287 K CB 0.188 32.687 32.500 -0.003 0.000 0.728 287 K HN 0.324 nan 8.250 nan 0.000 0.452 288 V N 1.601 121.492 119.914 -0.039 0.000 2.282 288 V HA -0.318 3.782 4.120 -0.034 0.000 0.249 288 V C 2.124 178.183 176.094 -0.059 0.000 1.057 288 V CA 2.101 64.378 62.300 -0.038 0.000 1.032 288 V CB -0.412 31.387 31.823 -0.040 0.000 0.645 288 V HN 0.381 nan 8.190 nan 0.000 0.447 289 K N -0.445 119.868 120.400 -0.145 0.000 2.062 289 K HA -0.142 4.157 4.320 -0.034 0.000 0.205 289 K C 2.409 178.956 176.600 -0.089 0.000 1.051 289 K CA 1.235 57.374 56.287 -0.248 0.000 0.941 289 K CB -0.249 31.837 32.500 -0.689 0.000 0.719 289 K HN 0.286 nan 8.250 nan 0.000 0.440 290 R N 1.335 121.797 120.500 -0.062 0.000 2.083 290 R HA -0.178 4.141 4.340 -0.034 0.000 0.237 290 R C 1.567 177.941 176.300 0.124 0.000 1.137 290 R CA 2.059 58.192 56.100 0.055 0.000 0.951 290 R CB -0.093 30.226 30.300 0.032 0.000 0.851 290 R HN 0.149 nan 8.270 nan 0.000 0.434 291 D N -0.365 120.071 120.400 0.059 0.000 2.117 291 D HA -0.188 4.432 4.640 -0.034 0.000 0.197 291 D C 1.881 178.215 176.300 0.058 0.000 0.987 291 D CA 1.004 55.034 54.000 0.050 0.000 0.829 291 D CB -0.263 40.552 40.800 0.024 0.000 0.961 291 D HN 0.269 nan 8.370 nan 0.000 0.460 292 R N -0.314 120.229 120.500 0.072 0.000 2.083 292 R HA -0.173 4.146 4.340 -0.034 0.000 0.237 292 R C 2.292 178.671 176.300 0.132 0.000 1.137 292 R CA 0.978 57.133 56.100 0.091 0.000 0.951 292 R CB -0.508 29.857 30.300 0.108 0.000 0.851 292 R HN 0.137 nan 8.270 nan 0.000 0.434 293 F N 0.972 120.941 119.950 0.033 0.000 2.043 293 F HA -0.242 4.265 4.527 -0.034 0.000 0.297 293 F C 1.999 177.810 175.800 0.018 0.000 1.121 293 F CA 1.845 59.861 58.000 0.026 0.000 1.199 293 F CB -0.702 38.309 39.000 0.017 0.000 0.968 293 F HN -0.179 nan 8.300 nan 0.000 0.478 294 V N 0.700 120.524 119.914 -0.151 0.000 2.332 294 V HA -0.269 3.831 4.120 -0.034 0.000 0.248 294 V C 2.774 178.753 176.094 -0.191 0.000 1.055 294 V CA 1.998 64.147 62.300 -0.250 0.000 1.038 294 V CB -1.779 30.013 31.823 -0.052 0.000 0.651 294 V HN 0.599 nan 8.190 nan 0.000 0.450 295 G N 0.058 108.805 108.800 -0.088 0.000 2.422 295 G HA2 -0.288 3.651 3.960 -0.034 0.000 0.218 295 G HA3 -0.288 3.651 3.960 -0.034 0.000 0.218 295 G C 1.871 176.738 174.900 -0.054 0.000 1.146 295 G CA 1.375 46.442 45.100 -0.055 0.000 0.769 295 G HN 0.654 nan 8.290 nan 0.000 0.547 296 S N 0.167 115.826 115.700 -0.069 0.000 2.402 296 S HA -0.072 4.378 4.470 -0.034 0.000 0.229 296 S C 2.280 176.854 174.600 -0.044 0.000 1.021 296 S CA 1.383 59.571 58.200 -0.021 0.000 0.974 296 S CB -0.337 62.867 63.200 0.007 0.000 0.800 296 S HN 0.105 nan 8.310 nan 0.000 0.484 297 V N 2.243 122.022 119.914 -0.225 0.000 2.358 297 V HA -0.126 3.973 4.120 -0.034 0.000 0.246 297 V C 2.780 178.855 176.094 -0.032 0.000 1.047 297 V CA 2.088 64.271 62.300 -0.194 0.000 1.035 297 V CB -0.794 30.796 31.823 -0.389 0.000 0.658 297 V HN 0.554 nan 8.190 nan 0.000 0.452 298 K N 0.219 120.571 120.400 -0.079 0.000 2.032 298 K HA -0.271 4.028 4.320 -0.034 0.000 0.209 298 K C 2.292 178.888 176.600 -0.008 0.000 1.048 298 K CA 2.111 58.360 56.287 -0.064 0.000 0.927 298 K CB -0.176 32.279 32.500 -0.074 0.000 0.712 298 K HN 0.610 nan 8.250 nan 0.000 0.441 299 E N -0.324 119.893 120.200 0.029 0.000 2.110 299 E HA -0.212 4.117 4.350 -0.034 0.000 0.193 299 E C 1.926 178.586 176.600 0.099 0.000 0.988 299 E CA 0.929 57.358 56.400 0.048 0.000 0.804 299 E CB -0.213 29.526 29.700 0.066 0.000 0.745 299 E HN 0.347 nan 8.360 nan 0.000 0.458 300 F N 1.276 121.259 119.950 0.055 0.000 2.134 300 F HA -0.146 4.361 4.527 -0.034 0.000 0.299 300 F C 1.962 177.861 175.800 0.165 0.000 1.097 300 F CA 1.394 59.505 58.000 0.185 0.000 1.264 300 F CB -0.030 39.071 39.000 0.167 0.000 1.001 300 F HN 0.007 nan 8.300 nan 0.000 0.479 301 L N -0.434 120.915 121.223 0.209 0.000 2.156 301 L HA -0.168 4.152 4.340 -0.034 0.000 0.208 301 L C 2.337 179.207 176.870 0.000 0.000 1.095 301 L CA 0.973 55.879 54.840 0.110 0.000 0.770 301 L CB -0.707 41.374 42.059 0.037 0.000 0.914 301 L HN 0.189 nan 8.230 nan 0.000 0.439 302 Q N -0.688 119.085 119.800 -0.045 0.000 2.167 302 Q HA -0.138 4.182 4.340 -0.034 0.000 0.202 302 Q C 2.129 178.028 176.000 -0.168 0.000 0.970 302 Q CA 1.793 57.549 55.803 -0.077 0.000 0.855 302 Q CB -0.115 28.582 28.738 -0.069 0.000 0.911 302 Q HN 0.467 nan 8.270 nan 0.000 0.438 303 T N -0.399 113.980 114.554 -0.291 0.000 2.770 303 T HA -0.113 4.217 4.350 -0.034 0.000 0.263 303 T C -0.070 174.177 174.700 -0.754 0.000 1.039 303 T CA 0.888 62.615 62.100 -0.622 0.000 1.142 303 T CB -0.090 68.261 68.868 -0.860 0.000 0.868 303 T HN 0.328 nan 8.240 nan 0.000 0.435 304 W N 2.184 123.342 121.300 -0.237 0.000 2.313 304 W HA 0.474 5.113 4.660 -0.034 0.000 0.315 304 W C 0.774 177.074 176.519 -0.365 0.000 0.917 304 W CA -0.993 56.158 57.345 -0.322 0.000 1.626 304 W CB 0.376 29.535 29.460 -0.501 0.000 1.574 304 W HN -0.002 nan 8.180 nan 0.000 0.395 305 K N 1.054 121.438 120.400 -0.026 0.000 2.504 305 K HA -0.093 4.207 4.320 -0.034 0.000 0.195 305 K C 1.532 178.118 176.600 -0.024 0.000 1.036 305 K CA 0.793 57.081 56.287 0.001 0.000 0.984 305 K CB -0.132 32.388 32.500 0.033 0.000 0.788 305 K HN 0.530 nan 8.250 nan 0.000 0.488 306 F N -0.339 119.542 119.950 -0.115 0.000 2.451 306 F HA 0.091 4.598 4.527 -0.034 0.000 0.299 306 F C 0.402 176.077 175.800 -0.210 0.000 1.101 306 F CA -0.243 57.621 58.000 -0.225 0.000 1.436 306 F CB -0.564 38.208 39.000 -0.380 0.000 1.074 306 F HN -0.283 nan 8.300 nan 0.000 0.553 307 F N 2.121 121.682 119.950 -0.647 0.000 2.418 307 F HA 0.203 4.709 4.527 -0.034 0.000 0.341 307 F C 1.027 176.803 175.800 -0.040 0.000 1.120 307 F CA -0.752 57.036 58.000 -0.353 0.000 1.232 307 F CB 0.361 39.153 39.000 -0.346 0.000 1.175 307 F HN -0.010 nan 8.300 nan 0.000 0.569 308 D N 1.694 122.247 120.400 0.255 0.000 2.501 308 D HA 0.356 4.975 4.640 -0.034 0.000 0.226 308 D C 0.852 177.334 176.300 0.303 0.000 1.198 308 D CA 0.371 54.441 54.000 0.116 0.000 0.830 308 D CB 0.587 41.396 40.800 0.015 0.000 1.014 308 D HN 0.733 nan 8.370 nan 0.000 0.496 309 G N -0.411 108.650 108.800 0.436 0.000 2.347 309 G HA2 0.196 4.136 3.960 -0.034 0.000 0.224 309 G HA3 0.196 4.136 3.960 -0.034 0.000 0.224 309 G C -1.852 173.166 174.900 0.197 0.000 1.318 309 G CA -0.112 45.211 45.100 0.372 0.000 1.016 309 G HN 0.183 nan 8.290 nan 0.000 0.469 310 V N 0.241 120.256 119.914 0.168 0.000 3.000 310 V HA 0.675 4.775 4.120 -0.034 0.000 0.300 310 V C -2.054 174.151 176.094 0.185 0.000 1.251 310 V CA -0.104 62.269 62.300 0.121 0.000 0.972 310 V CB 2.153 34.013 31.823 0.061 0.000 1.065 310 V HN 1.166 nan 8.190 nan 0.000 0.431 311 D N 5.207 125.741 120.400 0.223 0.000 2.408 311 D HA 0.514 5.134 4.640 -0.034 0.000 0.243 311 D C -0.897 175.594 176.300 0.318 0.000 1.075 311 D CA -0.376 53.810 54.000 0.309 0.000 0.832 311 D CB 1.289 42.316 40.800 0.380 0.000 1.162 311 D HN 0.393 nan 8.370 nan 0.000 0.515 312 I N 3.483 124.219 120.570 0.276 0.000 2.312 312 I HA 0.218 4.367 4.170 -0.034 0.000 0.290 312 I C -0.173 176.075 176.117 0.219 0.000 1.008 312 I CA -0.496 60.938 61.300 0.223 0.000 1.226 312 I CB 1.283 39.332 38.000 0.082 0.000 1.371 312 I HN 0.467 nan 8.210 nan 0.000 0.468 313 D N 7.357 127.890 120.400 0.221 0.000 2.551 313 D HA 0.060 4.679 4.640 -0.034 0.000 0.294 313 D C -0.795 175.540 176.300 0.059 0.000 1.201 313 D CA -0.368 53.744 54.000 0.186 0.000 0.941 313 D CB 0.286 41.247 40.800 0.269 0.000 0.995 313 D HN 0.322 nan 8.370 nan 0.000 0.502 314 W N 3.229 124.316 121.300 -0.356 0.000 2.387 314 W HA 0.350 4.990 4.660 -0.034 0.000 0.310 314 W C -0.746 175.555 176.519 -0.363 0.000 1.181 314 W CA -0.954 56.045 57.345 -0.577 0.000 1.333 314 W CB 0.258 29.132 29.460 -0.976 0.000 1.286 314 W HN 0.199 nan 8.180 nan 0.000 0.455 315 E N 7.035 127.169 120.200 -0.110 0.000 2.121 315 E HA 0.329 4.659 4.350 -0.034 0.000 0.255 315 E C -1.408 174.853 176.600 -0.564 0.000 0.906 315 E CA -0.405 55.409 56.400 -0.977 0.000 0.745 315 E CB 0.764 29.772 29.700 -1.153 0.000 1.155 315 E HN 0.173 nan 8.360 nan 0.000 0.424 316 F N 1.170 121.194 119.950 0.123 0.000 2.631 316 F HA 0.341 4.848 4.527 -0.034 0.000 0.308 316 F C -2.432 173.022 175.800 -0.577 0.000 1.097 316 F CA -2.951 54.873 58.000 -0.293 0.000 0.952 316 F CB 1.274 40.172 39.000 -0.171 0.000 1.307 316 F HN 0.138 nan 8.300 nan 0.000 0.450 317 P HA 0.141 nan 4.420 nan 0.000 0.260 317 P C 0.733 177.880 177.300 -0.256 0.000 1.172 317 P CA 1.625 64.131 63.100 -0.988 0.000 0.760 317 P CB 0.299 31.330 31.700 -1.114 0.000 0.773 318 G N 2.037 110.842 108.800 0.008 0.000 2.217 318 G HA2 0.039 3.978 3.960 -0.034 0.000 0.246 318 G HA3 0.039 3.978 3.960 -0.034 0.000 0.246 318 G C 0.547 175.535 174.900 0.147 0.000 0.990 318 G CA 0.090 45.230 45.100 0.066 0.000 0.627 318 G HN 1.035 nan 8.290 nan 0.000 0.522 319 G N -0.429 108.562 108.800 0.318 0.000 2.548 319 G HA2 0.296 4.235 3.960 -0.034 0.000 0.208 319 G HA3 0.296 4.235 3.960 -0.034 0.000 0.208 319 G C 0.313 175.334 174.900 0.203 0.000 1.308 319 G CA 0.662 45.871 45.100 0.182 0.000 0.924 319 G HN 1.492 nan 8.290 nan 0.000 0.540 320 K N -1.459 118.998 120.400 0.095 0.000 3.281 320 K HA -0.149 4.151 4.320 -0.034 0.000 0.295 320 K C 1.312 178.055 176.600 0.238 0.000 1.233 320 K CA 1.833 58.197 56.287 0.129 0.000 0.866 320 K CB -1.543 31.024 32.500 0.112 0.000 1.265 320 K HN 1.646 nan 8.250 nan 0.000 0.482 321 G N -0.269 108.577 108.800 0.077 0.000 2.975 321 G HA2 0.485 4.425 3.960 -0.034 0.000 0.159 321 G HA3 0.485 4.425 3.960 -0.034 0.000 0.159 321 G C 1.090 175.516 174.900 -0.790 0.000 1.525 321 G CA 0.104 44.959 45.100 -0.409 0.000 1.075 321 G HN 0.211 nan 8.290 nan 0.000 0.574 322 A N -0.796 121.309 122.820 -1.192 0.000 1.968 322 A HA 0.109 4.409 4.320 -0.034 0.000 0.217 322 A C 1.358 178.745 177.584 -0.328 0.000 1.169 322 A CA 0.890 52.420 52.037 -0.845 0.000 0.638 322 A CB -0.354 18.069 19.000 -0.963 0.000 0.812 322 A HN 0.416 nan 8.150 nan 0.000 0.446 323 N N 0.007 118.527 118.700 -0.300 0.000 2.425 323 N HA 0.276 4.996 4.740 -0.034 0.000 0.268 323 N C -2.295 173.091 175.510 -0.206 0.000 0.991 323 N CA -1.958 50.966 53.050 -0.210 0.000 0.931 323 N CB 1.786 40.146 38.487 -0.211 0.000 1.130 323 N HN 0.014 nan 8.380 nan 0.000 0.493 324 P HA 0.109 nan 4.420 nan 0.000 0.245 324 P C 0.059 177.284 177.300 -0.125 0.000 1.206 324 P CA 0.461 63.499 63.100 -0.103 0.000 0.781 324 P CB 0.650 32.320 31.700 -0.049 0.000 0.994 325 N N -0.319 118.288 118.700 -0.155 0.000 2.299 325 N HA 0.128 4.848 4.740 -0.034 0.000 0.187 325 N C 0.594 175.969 175.510 -0.226 0.000 1.099 325 N CA 0.312 53.275 53.050 -0.145 0.000 0.867 325 N CB 0.668 39.095 38.487 -0.099 0.000 0.974 325 N HN 0.262 nan 8.380 nan 0.000 0.477 326 L N -0.181 120.813 121.223 -0.381 0.000 2.330 326 L HA 0.705 5.025 4.340 -0.034 0.000 0.271 326 L C 0.361 176.815 176.870 -0.693 0.000 1.013 326 L CA -0.781 53.653 54.840 -0.676 0.000 0.816 326 L CB 2.017 43.328 42.059 -1.246 0.000 1.287 326 L HN 0.029 nan 8.230 nan 0.000 0.435 327 G N 0.779 109.246 108.800 -0.557 0.000 2.801 327 G HA2 0.218 4.158 3.960 -0.034 0.000 0.648 327 G HA3 0.218 4.158 3.960 -0.034 0.000 0.648 327 G C -1.158 173.754 174.900 0.020 0.000 1.415 327 G CA -0.166 44.886 45.100 -0.080 0.000 0.887 327 G HN 0.779 nan 8.290 nan 0.000 0.627 328 S N 2.844 118.624 115.700 0.133 0.000 2.595 328 S HA 0.891 5.341 4.470 -0.034 0.000 0.281 328 S C -1.858 172.777 174.600 0.059 0.000 1.117 328 S CA -0.939 57.302 58.200 0.068 0.000 0.873 328 S CB 2.506 65.747 63.200 0.068 0.000 1.108 328 S HN 0.295 nan 8.310 nan 0.000 0.477 329 P HA -0.083 nan 4.420 nan 0.000 0.222 329 P C 1.213 178.518 177.300 0.009 0.000 1.147 329 P CA 1.015 64.119 63.100 0.006 0.000 0.790 329 P CB -0.022 31.677 31.700 -0.002 0.000 0.780 330 Q N -0.097 119.723 119.800 0.033 0.000 2.369 330 Q HA -0.130 4.190 4.340 -0.034 0.000 0.206 330 Q C 1.111 177.154 176.000 0.071 0.000 0.963 330 Q CA 0.910 56.740 55.803 0.044 0.000 0.894 330 Q CB -0.439 28.330 28.738 0.051 0.000 0.965 330 Q HN 0.104 nan 8.270 nan 0.000 0.475 331 D N 0.540 120.992 120.400 0.087 0.000 2.123 331 D HA -0.146 4.474 4.640 -0.034 0.000 0.196 331 D C 1.734 178.024 176.300 -0.018 0.000 0.992 331 D CA 1.481 55.553 54.000 0.120 0.000 0.833 331 D CB -0.577 40.255 40.800 0.053 0.000 0.954 331 D HN 0.505 nan 8.370 nan 0.000 0.455 332 G N 0.796 109.530 108.800 -0.110 0.000 2.491 332 G HA2 -0.348 3.591 3.960 -0.034 0.000 0.218 332 G HA3 -0.348 3.591 3.960 -0.034 0.000 0.218 332 G C 1.443 176.322 174.900 -0.035 0.000 1.180 332 G CA 1.044 46.051 45.100 -0.154 0.000 0.774 332 G HN 0.364 nan 8.290 nan 0.000 0.562 333 E N -0.284 119.918 120.200 0.004 0.000 2.085 333 E HA -0.148 4.181 4.350 -0.034 0.000 0.194 333 E C 2.542 179.195 176.600 0.088 0.000 0.994 333 E CA 1.581 58.002 56.400 0.036 0.000 0.801 333 E CB -0.177 29.541 29.700 0.030 0.000 0.743 333 E HN 0.396 nan 8.360 nan 0.000 0.453 334 T N -0.057 114.580 114.554 0.139 0.000 2.777 334 T HA -0.179 4.150 4.350 -0.034 0.000 0.266 334 T C 1.434 176.294 174.700 0.267 0.000 1.040 334 T CA 1.331 63.548 62.100 0.195 0.000 1.141 334 T CB -0.510 68.522 68.868 0.273 0.000 0.868 334 T HN 0.339 nan 8.240 nan 0.000 0.444 335 Y N 1.820 122.232 120.300 0.187 0.000 2.128 335 Y HA -0.170 4.360 4.550 -0.034 0.000 0.284 335 Y C 2.284 178.209 175.900 0.042 0.000 1.154 335 Y CA 0.904 59.084 58.100 0.134 0.000 1.149 335 Y CB -0.610 37.765 38.460 -0.143 0.000 0.976 335 Y HN -0.029 nan 8.280 nan 0.000 0.505 336 V N 0.249 120.287 119.914 0.207 0.000 2.358 336 V HA -0.304 3.796 4.120 -0.034 0.000 0.246 336 V C 2.429 178.547 176.094 0.040 0.000 1.047 336 V CA 1.922 64.285 62.300 0.104 0.000 1.035 336 V CB -0.743 31.122 31.823 0.069 0.000 0.658 336 V HN 0.424 nan 8.190 nan 0.000 0.452 337 L N -0.751 120.504 121.223 0.053 0.000 2.017 337 L HA -0.199 4.120 4.340 -0.034 0.000 0.208 337 L C 2.457 179.344 176.870 0.028 0.000 1.073 337 L CA 1.369 56.232 54.840 0.039 0.000 0.745 337 L CB -0.671 41.417 42.059 0.049 0.000 0.894 337 L HN 0.338 nan 8.230 nan 0.000 0.432 338 L N -0.693 120.548 121.223 0.030 0.000 2.012 338 L HA -0.253 4.067 4.340 -0.034 0.000 0.210 338 L C 2.516 179.380 176.870 -0.010 0.000 1.073 338 L CA 1.939 56.798 54.840 0.032 0.000 0.748 338 L CB -0.431 41.650 42.059 0.036 0.000 0.891 338 L HN 0.168 nan 8.230 nan 0.000 0.431 339 M N -0.611 118.928 119.600 -0.100 0.000 2.086 339 M HA -0.216 4.244 4.480 -0.034 0.000 0.261 339 M C 2.301 178.587 176.300 -0.023 0.000 1.067 339 M CA 1.673 56.919 55.300 -0.091 0.000 1.116 339 M CB -1.159 31.371 32.600 -0.118 0.000 1.348 339 M HN 0.283 nan 8.290 nan 0.000 0.407 340 K N 0.153 120.548 120.400 -0.008 0.000 2.057 340 K HA -0.170 4.130 4.320 -0.034 0.000 0.207 340 K C 1.929 178.533 176.600 0.007 0.000 1.049 340 K CA 1.395 57.685 56.287 0.005 0.000 0.931 340 K CB -0.077 32.430 32.500 0.011 0.000 0.714 340 K HN 0.443 nan 8.250 nan 0.000 0.440 341 E N 0.565 120.772 120.200 0.011 0.000 2.152 341 E HA -0.096 4.234 4.350 -0.034 0.000 0.192 341 E C 1.999 178.601 176.600 0.004 0.000 0.983 341 E CA 0.515 56.922 56.400 0.012 0.000 0.818 341 E CB 0.079 29.795 29.700 0.026 0.000 0.758 341 E HN 0.195 nan 8.360 nan 0.000 0.467 342 L N 0.501 121.729 121.223 0.009 0.000 2.017 342 L HA -0.183 4.136 4.340 -0.034 0.000 0.208 342 L C 2.649 179.513 176.870 -0.010 0.000 1.073 342 L CA 1.073 55.910 54.840 -0.004 0.000 0.745 342 L CB -0.255 41.814 42.059 0.016 0.000 0.894 342 L HN 0.042 nan 8.230 nan 0.000 0.432 343 R N 0.584 121.084 120.500 0.001 0.000 2.083 343 R HA -0.190 4.130 4.340 -0.034 0.000 0.237 343 R C 2.203 178.503 176.300 0.001 0.000 1.137 343 R CA 1.825 57.929 56.100 0.006 0.000 0.951 343 R CB -0.592 29.713 30.300 0.009 0.000 0.851 343 R HN 0.336 nan 8.270 nan 0.000 0.434 344 A N 0.763 123.581 122.820 -0.002 0.000 1.902 344 A HA -0.175 4.125 4.320 -0.034 0.000 0.217 344 A C 2.231 179.804 177.584 -0.018 0.000 1.181 344 A CA 1.693 53.727 52.037 -0.005 0.000 0.623 344 A CB -0.683 18.315 19.000 -0.002 0.000 0.818 344 A HN 0.524 nan 8.150 nan 0.000 0.443 345 M N -0.141 119.441 119.600 -0.031 0.000 2.117 345 M HA -0.093 4.367 4.480 -0.034 0.000 0.262 345 M C 1.893 178.142 176.300 -0.086 0.000 1.065 345 M CA 1.792 57.057 55.300 -0.057 0.000 1.114 345 M CB -0.833 31.725 32.600 -0.070 0.000 1.361 345 M HN 0.420 nan 8.290 nan 0.000 0.408 346 L N -0.046 121.130 121.223 -0.078 0.000 2.109 346 L HA -0.202 4.118 4.340 -0.034 0.000 0.207 346 L C 2.072 178.927 176.870 -0.026 0.000 1.086 346 L CA 0.942 55.719 54.840 -0.106 0.000 0.760 346 L CB -0.868 41.176 42.059 -0.024 0.000 0.910 346 L HN 0.222 nan 8.230 nan 0.000 0.437 347 D N -0.303 120.100 120.400 0.005 0.000 2.123 347 D HA -0.234 4.386 4.640 -0.034 0.000 0.196 347 D C 2.150 178.462 176.300 0.020 0.000 0.992 347 D CA 1.142 55.159 54.000 0.029 0.000 0.833 347 D CB -0.010 40.803 40.800 0.021 0.000 0.954 347 D HN 0.194 nan 8.370 nan 0.000 0.455 348 Q N 0.174 119.970 119.800 -0.007 0.000 2.079 348 Q HA -0.077 4.243 4.340 -0.034 0.000 0.200 348 Q C 1.989 177.978 176.000 -0.018 0.000 0.974 348 Q CA 0.760 56.556 55.803 -0.011 0.000 0.840 348 Q CB -0.506 28.219 28.738 -0.022 0.000 0.898 348 Q HN 0.186 nan 8.270 nan 0.000 0.430 349 L N -0.145 121.036 121.223 -0.071 0.000 2.083 349 L HA -0.103 4.217 4.340 -0.034 0.000 0.209 349 L C 2.143 179.042 176.870 0.048 0.000 1.083 349 L CA 1.815 56.591 54.840 -0.105 0.000 0.752 349 L CB -0.875 40.956 42.059 -0.381 0.000 0.899 349 L HN 0.145 nan 8.230 nan 0.000 0.433 350 S N -0.936 114.844 115.700 0.133 0.000 2.359 350 S HA -0.175 4.275 4.470 -0.034 0.000 0.224 350 S C 1.942 176.625 174.600 0.138 0.000 1.035 350 S CA 1.648 60.003 58.200 0.259 0.000 1.018 350 S CB -0.546 62.786 63.200 0.220 0.000 0.876 350 S HN 0.520 nan 8.310 nan 0.000 0.448 351 V N 0.271 120.234 119.914 0.082 0.000 2.719 351 V HA 0.018 4.118 4.120 -0.034 0.000 0.252 351 V C 1.746 177.869 176.094 0.049 0.000 1.065 351 V CA 1.239 63.572 62.300 0.055 0.000 1.086 351 V CB -0.806 31.040 31.823 0.037 0.000 0.700 351 V HN 0.365 nan 8.190 nan 0.000 0.467 352 E N 1.748 121.977 120.200 0.049 0.000 2.110 352 E HA -0.141 4.189 4.350 -0.034 0.000 0.193 352 E C 2.242 178.876 176.600 0.055 0.000 0.988 352 E CA 1.992 58.416 56.400 0.040 0.000 0.804 352 E CB -0.231 29.484 29.700 0.025 0.000 0.745 352 E HN 0.884 nan 8.360 nan 0.000 0.458 353 T N -3.863 110.745 114.554 0.090 0.000 3.022 353 T HA 0.296 4.625 4.350 -0.034 0.000 0.250 353 T C 1.570 176.313 174.700 0.071 0.000 1.060 353 T CA 0.336 62.494 62.100 0.097 0.000 1.013 353 T CB 0.826 69.797 68.868 0.171 0.000 0.982 353 T HN 0.263 nan 8.240 nan 0.000 0.508 354 G N 1.844 110.684 108.800 0.066 0.000 2.168 354 G HA2 -0.286 3.653 3.960 -0.034 0.000 0.263 354 G HA3 -0.286 3.653 3.960 -0.034 0.000 0.263 354 G C 0.147 175.062 174.900 0.026 0.000 0.977 354 G CA 0.192 45.317 45.100 0.041 0.000 0.659 354 G HN 0.686 nan 8.290 nan 0.000 0.533 355 R N 0.014 120.532 120.500 0.030 0.000 2.598 355 R HA 0.568 4.887 4.340 -0.034 0.000 0.279 355 R C 0.169 176.428 176.300 -0.069 0.000 0.984 355 R CA -0.727 55.327 56.100 -0.077 0.000 0.999 355 R CB 0.989 31.152 30.300 -0.230 0.000 1.114 355 R HN 0.137 nan 8.270 nan 0.000 0.493 356 K N 2.152 122.478 120.400 -0.123 0.000 2.201 356 K HA 0.214 4.513 4.320 -0.034 0.000 0.278 356 K C -1.013 175.479 176.600 -0.180 0.000 1.027 356 K CA -0.166 56.087 56.287 -0.056 0.000 0.909 356 K CB 0.920 33.406 32.500 -0.023 0.000 1.062 356 K HN 0.389 nan 8.250 nan 0.000 0.465 357 Y N 1.081 121.407 120.300 0.043 0.000 2.446 357 Y HA 0.209 4.738 4.550 -0.034 0.000 0.338 357 Y C 0.353 176.292 175.900 0.066 0.000 1.055 357 Y CA -0.603 57.531 58.100 0.057 0.000 1.101 357 Y CB 1.764 40.253 38.460 0.048 0.000 1.221 357 Y HN 0.493 nan 8.280 nan 0.000 0.460 358 E N 2.275 122.623 120.200 0.247 0.000 2.207 358 E HA 0.494 4.823 4.350 -0.034 0.000 0.270 358 E C -1.679 175.034 176.600 0.188 0.000 0.927 358 E CA -1.168 55.349 56.400 0.195 0.000 0.799 358 E CB 2.485 32.336 29.700 0.250 0.000 1.172 358 E HN 0.351 nan 8.360 nan 0.000 0.404 359 L N 1.993 123.289 121.223 0.121 0.000 2.343 359 L HA 0.417 4.737 4.340 -0.034 0.000 0.278 359 L C -0.608 176.311 176.870 0.083 0.000 0.996 359 L CA -0.002 54.901 54.840 0.105 0.000 0.831 359 L CB 1.479 43.575 42.059 0.063 0.000 1.232 359 L HN 0.658 nan 8.230 nan 0.000 0.413 360 T N 0.901 115.542 114.554 0.145 0.000 2.910 360 T HA 0.857 5.187 4.350 -0.034 0.000 0.287 360 T C -0.454 174.359 174.700 0.188 0.000 1.050 360 T CA -0.699 61.474 62.100 0.121 0.000 1.011 360 T CB 1.703 70.710 68.868 0.231 0.000 1.195 360 T HN 0.669 nan 8.240 nan 0.000 0.540 361 S N -0.725 115.085 115.700 0.183 0.000 2.533 361 S HA 0.677 5.127 4.470 -0.034 0.000 0.271 361 S C -1.195 173.591 174.600 0.310 0.000 1.143 361 S CA -0.537 57.827 58.200 0.272 0.000 0.891 361 S CB 1.111 64.482 63.200 0.284 0.000 1.105 361 S HN 1.313 nan 8.310 nan 0.000 0.468 362 A N 4.022 127.050 122.820 0.347 0.000 2.274 362 A HA 0.792 5.092 4.320 -0.034 0.000 0.309 362 A C -0.098 177.625 177.584 0.232 0.000 1.226 362 A CA -0.705 51.505 52.037 0.288 0.000 0.853 362 A CB -0.172 19.002 19.000 0.289 0.000 1.146 362 A HN 1.104 nan 8.150 nan 0.000 0.518 363 I N -0.164 120.509 120.570 0.171 0.000 2.934 363 I HA 0.685 4.834 4.170 -0.034 0.000 0.306 363 I C 0.109 176.297 176.117 0.119 0.000 1.110 363 I CA -0.771 60.616 61.300 0.144 0.000 1.019 363 I CB 2.021 40.020 38.000 -0.002 0.000 1.227 363 I HN 0.451 nan 8.210 nan 0.000 0.434 364 S N 2.247 118.005 115.700 0.098 0.000 2.558 364 S HA 0.372 4.822 4.470 -0.034 0.000 0.288 364 S C 0.924 175.454 174.600 -0.118 0.000 1.318 364 S CA 0.279 58.399 58.200 -0.133 0.000 1.056 364 S CB 0.957 63.823 63.200 -0.557 0.000 0.853 364 S HN 0.882 nan 8.310 nan 0.000 0.505 365 A N 3.936 126.699 122.820 -0.096 0.000 2.308 365 A HA 0.448 4.747 4.320 -0.034 0.000 0.217 365 A C 0.986 178.542 177.584 -0.048 0.000 1.216 365 A CA 0.210 52.237 52.037 -0.017 0.000 0.864 365 A CB -0.480 18.601 19.000 0.135 0.000 0.902 365 A HN 0.931 nan 8.150 nan 0.000 0.499 366 G N -0.438 108.249 108.800 -0.189 0.000 2.390 366 G HA2 0.338 4.278 3.960 -0.034 0.000 0.270 366 G HA3 0.338 4.278 3.960 -0.034 0.000 0.270 366 G C 0.637 175.506 174.900 -0.051 0.000 1.211 366 G CA -0.252 44.728 45.100 -0.201 0.000 0.842 366 G HN 0.321 nan 8.290 nan 0.000 0.519 367 K N 1.154 121.587 120.400 0.054 0.000 2.211 367 K HA -0.123 4.176 4.320 -0.034 0.000 0.203 367 K C 1.886 178.488 176.600 0.002 0.000 1.050 367 K CA 1.625 57.922 56.287 0.017 0.000 0.945 367 K CB 0.032 32.541 32.500 0.016 0.000 0.732 367 K HN 0.692 nan 8.250 nan 0.000 0.451 368 D N 1.087 121.502 120.400 0.025 0.000 2.104 368 D HA -0.227 4.393 4.640 -0.034 0.000 0.194 368 D C 1.334 177.597 176.300 -0.061 0.000 0.994 368 D CA 1.458 55.455 54.000 -0.005 0.000 0.830 368 D CB -0.256 40.564 40.800 0.034 0.000 0.959 368 D HN 0.252 nan 8.370 nan 0.000 0.452 369 K N 0.121 120.451 120.400 -0.117 0.000 2.116 369 K HA 0.099 4.398 4.320 -0.034 0.000 0.203 369 K C 2.553 179.084 176.600 -0.114 0.000 1.052 369 K CA 0.427 56.613 56.287 -0.168 0.000 0.952 369 K CB 0.049 32.351 32.500 -0.330 0.000 0.729 369 K HN 0.171 nan 8.250 nan 0.000 0.446 370 I N 1.905 122.449 120.570 -0.045 0.000 2.151 370 I HA -0.295 3.854 4.170 -0.034 0.000 0.243 370 I C 1.259 177.399 176.117 0.037 0.000 1.080 370 I CA 1.292 62.645 61.300 0.089 0.000 1.339 370 I CB -0.288 37.748 38.000 0.060 0.000 1.039 370 I HN 0.134 nan 8.210 nan 0.000 0.409 371 D N 0.864 121.251 120.400 -0.022 0.000 2.378 371 D HA -0.073 4.547 4.640 -0.034 0.000 0.227 371 D C 1.678 177.916 176.300 -0.103 0.000 1.012 371 D CA 0.684 54.653 54.000 -0.051 0.000 0.905 371 D CB -0.051 40.728 40.800 -0.033 0.000 0.895 371 D HN 0.397 nan 8.370 nan 0.000 0.532 372 K N -0.163 120.149 120.400 -0.147 0.000 2.426 372 K HA 0.108 4.407 4.320 -0.034 0.000 0.193 372 K C 0.264 176.693 176.600 -0.285 0.000 1.028 372 K CA 0.172 56.348 56.287 -0.184 0.000 1.047 372 K CB 1.172 33.565 32.500 -0.178 0.000 0.821 372 K HN -0.086 nan 8.250 nan 0.000 0.513 373 V N 0.843 120.517 119.914 -0.401 0.000 2.680 373 V HA 0.389 4.489 4.120 -0.034 0.000 0.309 373 V C -0.537 175.255 176.094 -0.502 0.000 1.052 373 V CA -1.204 60.721 62.300 -0.626 0.000 0.908 373 V CB 1.682 32.719 31.823 -1.311 0.000 1.001 373 V HN 0.041 nan 8.190 nan 0.000 0.431 374 A N 3.044 125.647 122.820 -0.361 0.000 2.923 374 A HA 0.402 4.701 4.320 -0.034 0.000 0.306 374 A C 0.364 177.842 177.584 -0.176 0.000 1.542 374 A CA -0.141 51.778 52.037 -0.197 0.000 1.225 374 A CB -0.628 18.314 19.000 -0.097 0.000 1.147 374 A HN 0.830 nan 8.150 nan 0.000 0.542 375 Y N 1.428 121.705 120.300 -0.039 0.000 2.403 375 Y HA -0.236 4.294 4.550 -0.034 0.000 0.291 375 Y C 2.384 178.286 175.900 0.003 0.000 1.143 375 Y CA 1.643 59.737 58.100 -0.009 0.000 1.257 375 Y CB -0.255 38.185 38.460 -0.034 0.000 0.984 375 Y HN 0.798 nan 8.280 nan 0.000 0.550 376 N N -0.165 118.608 118.700 0.123 0.000 2.289 376 N HA -0.117 4.603 4.740 -0.034 0.000 0.184 376 N C 1.530 177.072 175.510 0.053 0.000 1.016 376 N CA 1.573 54.667 53.050 0.073 0.000 0.872 376 N CB -0.817 37.696 38.487 0.044 0.000 0.973 376 N HN 0.291 nan 8.380 nan 0.000 0.433 377 V N 1.254 121.193 119.914 0.042 0.000 2.374 377 V HA 0.084 4.184 4.120 -0.034 0.000 0.241 377 V C 2.800 178.928 176.094 0.056 0.000 1.034 377 V CA 1.367 63.688 62.300 0.035 0.000 1.037 377 V CB -0.990 30.842 31.823 0.015 0.000 0.682 377 V HN 0.413 nan 8.190 nan 0.000 0.463 378 A N 0.954 123.824 122.820 0.083 0.000 2.019 378 A HA -0.284 4.015 4.320 -0.034 0.000 0.219 378 A C 2.225 179.886 177.584 0.129 0.000 1.164 378 A CA 1.909 54.023 52.037 0.128 0.000 0.644 378 A CB -0.586 18.557 19.000 0.238 0.000 0.805 378 A HN 0.786 nan 8.150 nan 0.000 0.449 379 Q N -0.260 119.618 119.800 0.129 0.000 2.234 379 Q HA -0.202 4.118 4.340 -0.034 0.000 0.206 379 Q C 1.200 177.220 176.000 0.033 0.000 0.980 379 Q CA 1.558 57.408 55.803 0.078 0.000 0.869 379 Q CB -0.540 28.234 28.738 0.060 0.000 0.912 379 Q HN 0.573 nan 8.270 nan 0.000 0.436 380 N N 0.550 119.269 118.700 0.032 0.000 2.381 380 N HA -0.045 4.674 4.740 -0.034 0.000 0.182 380 N C 1.029 176.545 175.510 0.009 0.000 1.025 380 N CA 1.273 54.332 53.050 0.015 0.000 0.888 380 N CB 0.051 38.548 38.487 0.016 0.000 0.965 380 N HN 0.276 nan 8.380 nan 0.000 0.438 381 S N 0.017 115.727 115.700 0.017 0.000 2.548 381 S HA 0.250 4.699 4.470 -0.034 0.000 0.215 381 S C 0.712 175.312 174.600 0.000 0.000 0.976 381 S CA 0.085 58.291 58.200 0.009 0.000 0.908 381 S CB 0.414 63.621 63.200 0.011 0.000 0.781 381 S HN 0.210 nan 8.310 nan 0.000 0.519 382 M N 1.007 120.602 119.600 -0.009 0.000 2.456 382 M HA 0.367 4.826 4.480 -0.034 0.000 0.324 382 M C 0.057 176.289 176.300 -0.113 0.000 1.124 382 M CA -0.491 54.787 55.300 -0.035 0.000 0.959 382 M CB 1.604 34.201 32.600 -0.005 0.000 1.692 382 M HN -0.112 nan 8.290 nan 0.000 0.444 383 D N 0.382 120.670 120.400 -0.188 0.000 2.162 383 D HA 0.022 4.642 4.640 -0.034 0.000 0.205 383 D C 0.009 175.855 176.300 -0.756 0.000 0.964 383 D CA 1.294 55.031 54.000 -0.438 0.000 0.847 383 D CB 0.444 40.990 40.800 -0.423 0.000 0.988 383 D HN 0.510 nan 8.370 nan 0.000 0.480 384 H N -0.694 118.239 119.070 -0.228 0.000 2.974 384 H HA 0.407 4.943 4.556 -0.034 0.000 0.366 384 H C -0.518 174.480 175.328 -0.550 0.000 1.155 384 H CA -0.526 55.249 56.048 -0.455 0.000 1.186 384 H CB 1.949 31.237 29.762 -0.790 0.000 1.799 384 H HN -0.141 nan 8.280 nan 0.000 0.541 385 I N 2.990 123.343 120.570 -0.361 0.000 2.328 385 I HA 0.124 4.273 4.170 -0.034 0.000 0.287 385 I C -0.532 175.364 176.117 -0.368 0.000 1.012 385 I CA -0.542 60.574 61.300 -0.307 0.000 1.195 385 I CB 0.406 38.283 38.000 -0.205 0.000 1.350 385 I HN 0.246 nan 8.210 nan 0.000 0.464 386 F N 6.816 126.666 119.950 -0.167 0.000 2.423 386 F HA 0.214 4.721 4.527 -0.034 0.000 0.356 386 F C 0.229 175.950 175.800 -0.132 0.000 1.170 386 F CA -0.638 57.079 58.000 -0.472 0.000 1.163 386 F CB 0.415 38.840 39.000 -0.957 0.000 1.318 386 F HN 0.325 nan 8.300 nan 0.000 0.569 387 L N 5.128 126.521 121.223 0.284 0.000 2.369 387 L HA 0.227 4.546 4.340 -0.034 0.000 0.279 387 L C 0.227 177.257 176.870 0.267 0.000 1.108 387 L CA 0.256 55.218 54.840 0.202 0.000 0.852 387 L CB 0.232 42.373 42.059 0.137 0.000 1.169 387 L HN 0.504 nan 8.230 nan 0.000 0.452 388 M N 4.833 124.472 119.600 0.064 0.000 3.436 388 M HA 0.091 4.550 4.480 -0.034 0.000 0.240 388 M C 0.588 176.485 176.300 -0.672 0.000 1.469 388 M CA 0.015 55.079 55.300 -0.393 0.000 1.622 388 M CB -0.432 32.063 32.600 -0.174 0.000 1.098 388 M HN 0.745 nan 8.290 nan 0.000 0.568 389 S N 1.799 117.166 115.700 -0.555 0.000 4.085 389 S HA 0.276 4.726 4.470 -0.034 0.000 0.189 389 S C -0.592 173.544 174.600 -0.774 0.000 1.392 389 S CA -0.488 57.511 58.200 -0.334 0.000 0.972 389 S CB -1.071 62.163 63.200 0.056 0.000 1.482 389 S HN 0.574 nan 8.310 nan 0.000 0.446 390 Y N -2.863 116.984 120.300 -0.755 0.000 2.853 390 Y HA 0.579 5.108 4.550 -0.034 0.000 0.326 390 Y C -0.374 175.160 175.900 -0.609 0.000 1.384 390 Y CA -1.798 55.834 58.100 -0.780 0.000 1.077 390 Y CB -0.228 38.034 38.460 -0.331 0.000 1.395 390 Y HN 0.147 nan 8.280 nan 0.000 0.451 391 D N -0.341 120.073 120.400 0.024 0.000 2.870 391 D HA -0.185 4.434 4.640 -0.034 0.000 0.228 391 D C 0.321 176.759 176.300 0.230 0.000 1.147 391 D CA 0.960 55.075 54.000 0.191 0.000 0.757 391 D CB -1.351 39.556 40.800 0.179 0.000 1.091 391 D HN 0.476 nan 8.370 nan 0.000 0.429 392 F N -0.577 119.524 119.950 0.252 0.000 2.259 392 F HA 0.052 4.558 4.527 -0.035 0.000 0.298 392 F C 1.033 176.851 175.800 0.029 0.000 1.088 392 F CA 0.755 58.835 58.000 0.133 0.000 1.358 392 F CB -0.157 38.977 39.000 0.223 0.000 1.040 392 F HN 0.074 nan 8.300 nan 0.000 0.505 393 Y N -1.674 118.939 120.300 0.522 0.000 2.588 393 Y HA 0.644 5.174 4.550 -0.032 0.000 0.343 393 Y C 0.416 176.341 175.900 0.041 0.000 1.065 393 Y CA -1.097 57.220 58.100 0.362 0.000 1.038 393 Y CB 1.897 40.624 38.460 0.444 0.000 1.297 393 Y HN -0.105 nan 8.280 nan 0.000 0.467 394 G N -0.494 108.162 108.800 -0.239 0.000 2.320 394 G HA2 0.430 4.369 3.960 -0.034 0.000 0.296 394 G HA3 0.430 4.369 3.960 -0.034 0.000 0.296 394 G C -0.509 173.867 174.900 -0.875 0.000 1.306 394 G CA -0.237 44.403 45.100 -0.767 0.000 0.836 394 G HN 0.857 nan 8.290 nan 0.000 0.517 395 A N -0.651 121.733 122.820 -0.727 0.000 2.209 395 A HA 0.295 4.594 4.320 -0.034 0.000 0.212 395 A C 1.841 179.380 177.584 -0.074 0.000 1.158 395 A CA 1.923 53.743 52.037 -0.362 0.000 0.742 395 A CB -0.909 17.936 19.000 -0.259 0.000 0.790 395 A HN 1.338 nan 8.150 nan 0.000 0.472 396 F N -0.929 119.079 119.950 0.098 0.000 2.502 396 F HA 0.189 4.697 4.527 -0.032 0.000 0.298 396 F C 0.350 176.262 175.800 0.187 0.000 1.111 396 F CA -0.086 57.986 58.000 0.120 0.000 1.445 396 F CB -0.204 38.842 39.000 0.076 0.000 1.081 396 F HN 0.132 nan 8.300 nan 0.000 0.558 397 D N 0.929 121.347 120.400 0.030 0.000 2.505 397 D HA 0.277 4.896 4.640 -0.034 0.000 0.250 397 D C 0.324 176.772 176.300 0.247 0.000 1.164 397 D CA -0.351 53.768 54.000 0.199 0.000 0.870 397 D CB 1.463 42.404 40.800 0.235 0.000 1.160 397 D HN 0.203 nan 8.370 nan 0.000 0.549 398 L N 2.713 124.051 121.223 0.191 0.000 2.592 398 L HA 0.130 4.450 4.340 -0.034 0.000 0.227 398 L C 1.591 178.455 176.870 -0.010 0.000 1.127 398 L CA 0.309 55.238 54.840 0.148 0.000 0.884 398 L CB 0.194 42.337 42.059 0.141 0.000 1.065 398 L HN 0.067 nan 8.230 nan 0.000 0.457 399 K N -0.342 120.068 120.400 0.017 0.000 2.350 399 K HA 0.174 4.474 4.320 -0.034 0.000 0.196 399 K C 0.290 176.865 176.600 -0.042 0.000 1.084 399 K CA 0.430 56.705 56.287 -0.021 0.000 0.967 399 K CB 0.493 33.008 32.500 0.024 0.000 0.950 399 K HN 0.027 nan 8.250 nan 0.000 0.512 400 N N 1.639 120.354 118.700 0.025 0.000 2.816 400 N HA 0.207 4.926 4.740 -0.034 0.000 0.236 400 N C -0.870 174.701 175.510 0.102 0.000 1.076 400 N CA -0.147 52.949 53.050 0.076 0.000 0.902 400 N CB 0.919 39.521 38.487 0.191 0.000 1.149 400 N HN 0.009 nan 8.380 nan 0.000 0.506 401 L N 0.403 121.510 121.223 -0.194 0.000 2.399 401 L HA 0.766 5.086 4.340 -0.034 0.000 0.266 401 L C 1.159 177.686 176.870 -0.572 0.000 1.114 401 L CA -0.522 54.051 54.840 -0.445 0.000 0.804 401 L CB 1.129 42.703 42.059 -0.808 0.000 1.146 401 L HN 0.391 nan 8.230 nan 0.000 0.451 402 G N -0.674 107.677 108.800 -0.748 0.000 2.430 402 G HA2 0.237 4.176 3.960 -0.034 0.000 0.300 402 G HA3 0.237 4.176 3.960 -0.034 0.000 0.300 402 G C -1.513 172.913 174.900 -0.790 0.000 1.330 402 G CA -0.772 43.510 45.100 -1.362 0.000 0.813 402 G HN 0.475 nan 8.290 nan 0.000 0.487 403 H N 0.790 119.487 119.070 -0.622 0.000 2.767 403 H HA 0.151 4.687 4.556 -0.033 0.000 0.316 403 H C 1.403 176.921 175.328 0.317 0.000 1.059 403 H CA 0.682 56.636 56.048 -0.156 0.000 1.461 403 H CB 1.854 31.483 29.762 -0.221 0.000 1.475 403 H HN 0.733 nan 8.280 nan 0.000 0.531 404 Q N 1.436 121.502 119.800 0.442 0.000 2.378 404 Q HA -0.035 4.285 4.340 -0.034 0.000 0.205 404 Q C 0.910 177.008 176.000 0.162 0.000 0.954 404 Q CA 1.362 57.408 55.803 0.406 0.000 0.901 404 Q CB 0.586 29.478 28.738 0.257 0.000 0.981 404 Q HN 0.476 nan 8.270 nan 0.000 0.483 405 T N -0.724 113.928 114.554 0.164 0.000 3.475 405 T HA 0.525 4.854 4.350 -0.034 0.000 0.310 405 T C -0.290 174.505 174.700 0.158 0.000 0.963 405 T CA 0.065 62.160 62.100 -0.008 0.000 0.985 405 T CB 0.029 68.855 68.868 -0.069 0.000 1.198 405 T HN 0.442 nan 8.240 nan 0.000 0.508 406 A N 1.050 124.026 122.820 0.260 0.000 2.483 406 A HA 0.507 4.807 4.320 -0.034 0.000 0.238 406 A C 1.457 179.084 177.584 0.072 0.000 1.070 406 A CA -0.232 51.835 52.037 0.050 0.000 0.770 406 A CB 0.042 19.014 19.000 -0.046 0.000 1.008 406 A HN 0.486 nan 8.150 nan 0.000 0.497 407 L N 1.514 122.696 121.223 -0.070 0.000 2.027 407 L HA -0.012 4.307 4.340 -0.034 0.000 0.206 407 L C 0.634 177.399 176.870 -0.174 0.000 1.074 407 L CA 1.751 56.505 54.840 -0.144 0.000 0.745 407 L CB -0.458 41.474 42.059 -0.211 0.000 0.898 407 L HN 0.773 nan 8.230 nan 0.000 0.433 408 N N -1.282 117.316 118.700 -0.170 0.000 2.545 408 N HA 0.504 5.224 4.740 -0.034 0.000 0.289 408 N C -0.770 174.631 175.510 -0.182 0.000 1.279 408 N CA -0.014 52.929 53.050 -0.178 0.000 0.824 408 N CB 1.193 39.577 38.487 -0.172 0.000 1.395 408 N HN 0.156 nan 8.380 nan 0.000 0.526 409 A N 1.155 123.856 122.820 -0.198 0.000 2.407 409 A HA 0.400 4.700 4.320 -0.034 0.000 0.248 409 A C -2.053 175.327 177.584 -0.339 0.000 1.082 409 A CA -0.702 51.182 52.037 -0.255 0.000 0.785 409 A CB -0.468 18.389 19.000 -0.240 0.000 1.020 409 A HN 0.417 nan 8.150 nan 0.000 0.489 410 P HA 0.239 nan 4.420 nan 0.000 0.274 410 P C 0.653 177.537 177.300 -0.693 0.000 1.246 410 P CA 0.378 62.992 63.100 -0.811 0.000 0.795 410 P CB 0.990 31.578 31.700 -1.852 0.000 1.006 411 A N 1.277 123.811 122.820 -0.477 0.000 1.933 411 A HA -0.151 4.149 4.320 -0.034 0.000 0.218 411 A C 1.804 179.310 177.584 -0.130 0.000 1.175 411 A CA 1.528 53.448 52.037 -0.194 0.000 0.628 411 A CB -1.740 17.257 19.000 -0.005 0.000 0.814 411 A HN 0.816 nan 8.150 nan 0.000 0.444 412 W N -1.019 120.250 121.300 -0.051 0.000 2.825 412 W HA 0.296 4.941 4.660 -0.026 0.000 0.243 412 W C 0.532 177.006 176.519 -0.076 0.000 1.293 412 W CA 0.769 58.078 57.345 -0.060 0.000 1.403 412 W CB 0.095 29.514 29.460 -0.068 0.000 1.134 412 W HN 0.144 nan 8.180 nan 0.000 0.666 413 K N 1.203 121.353 120.400 -0.417 0.000 3.098 413 K HA 0.130 4.430 4.320 -0.034 0.000 0.204 413 K C -2.263 174.172 176.600 -0.275 0.000 1.210 413 K CA -1.016 55.126 56.287 -0.243 0.000 0.899 413 K CB 0.952 33.347 32.500 -0.175 0.000 1.176 413 K HN -0.319 nan 8.250 nan 0.000 0.585 414 P HA -0.116 nan 4.420 nan 0.000 0.226 414 P C 0.477 177.692 177.300 -0.141 0.000 1.153 414 P CA 0.957 63.953 63.100 -0.173 0.000 0.777 414 P CB 0.169 31.795 31.700 -0.122 0.000 0.794 415 D N -1.650 118.677 120.400 -0.122 0.000 2.355 415 D HA -0.049 4.570 4.640 -0.034 0.000 0.218 415 D C 0.048 176.269 176.300 -0.130 0.000 1.004 415 D CA 0.188 54.123 54.000 -0.109 0.000 0.880 415 D CB -1.539 39.211 40.800 -0.083 0.000 0.911 415 D HN -0.108 nan 8.370 nan 0.000 0.528 416 T N 0.852 115.318 114.554 -0.146 0.000 2.591 416 T HA 0.122 4.451 4.350 -0.034 0.000 0.245 416 T C 1.379 175.965 174.700 -0.190 0.000 1.031 416 T CA 0.569 62.584 62.100 -0.142 0.000 1.187 416 T CB 0.759 69.539 68.868 -0.146 0.000 1.014 416 T HN 0.345 nan 8.240 nan 0.000 0.488 417 A N 4.552 127.207 122.820 -0.275 0.000 1.872 417 A HA 0.009 4.309 4.320 -0.034 0.000 0.214 417 A C 0.479 177.852 177.584 -0.351 0.000 1.187 417 A CA 1.005 52.815 52.037 -0.379 0.000 0.614 417 A CB -0.193 18.420 19.000 -0.645 0.000 0.826 417 A HN 0.763 nan 8.150 nan 0.000 0.442 418 Y N 1.406 121.520 120.300 -0.311 0.000 2.594 418 Y HA 0.463 4.992 4.550 -0.034 0.000 0.342 418 Y C 0.692 175.953 175.900 -1.065 0.000 1.010 418 Y CA -0.676 57.035 58.100 -0.647 0.000 1.270 418 Y CB 0.101 38.223 38.460 -0.564 0.000 1.125 418 Y HN 0.290 nan 8.280 nan 0.000 0.513 419 T N -2.635 111.448 114.554 -0.785 0.000 2.901 419 T HA 0.323 4.653 4.350 -0.034 0.000 0.293 419 T C 1.000 175.455 174.700 -0.409 0.000 1.084 419 T CA -0.666 61.050 62.100 -0.640 0.000 1.008 419 T CB 1.674 70.379 68.868 -0.270 0.000 1.170 419 T HN 0.297 nan 8.240 nan 0.000 0.509 420 T N 1.141 115.698 114.554 0.005 0.000 2.607 420 T HA -0.139 4.191 4.350 -0.034 0.000 0.267 420 T C 2.116 176.821 174.700 0.008 0.000 1.049 420 T CA 1.774 63.952 62.100 0.129 0.000 1.162 420 T CB -0.545 68.380 68.868 0.096 0.000 0.863 420 T HN 0.508 nan 8.240 nan 0.000 0.424 421 V N 2.635 122.483 119.914 -0.110 0.000 2.324 421 V HA -0.244 3.856 4.120 -0.034 0.000 0.250 421 V C 2.437 178.525 176.094 -0.010 0.000 1.060 421 V CA 1.765 64.028 62.300 -0.063 0.000 1.042 421 V CB -0.754 30.987 31.823 -0.138 0.000 0.650 421 V HN 0.454 nan 8.190 nan 0.000 0.450 422 N N 0.772 119.432 118.700 -0.066 0.000 2.166 422 N HA -0.117 4.603 4.740 -0.034 0.000 0.186 422 N C 1.854 177.352 175.510 -0.020 0.000 1.019 422 N CA 1.637 54.654 53.050 -0.054 0.000 0.856 422 N CB -0.698 37.730 38.487 -0.097 0.000 0.993 422 N HN 0.545 nan 8.380 nan 0.000 0.426 423 G N 0.456 109.251 108.800 -0.009 0.000 2.394 423 G HA2 -0.126 3.814 3.960 -0.034 0.000 0.215 423 G HA3 -0.126 3.814 3.960 -0.034 0.000 0.215 423 G C 1.706 176.620 174.900 0.024 0.000 1.165 423 G CA 0.579 45.687 45.100 0.013 0.000 0.784 423 G HN 0.175 nan 8.290 nan 0.000 0.535 424 V N 1.687 121.641 119.914 0.068 0.000 2.287 424 V HA -0.219 3.880 4.120 -0.034 0.000 0.248 424 V C 2.690 178.814 176.094 0.050 0.000 1.053 424 V CA 2.007 64.356 62.300 0.081 0.000 1.027 424 V CB -0.517 31.419 31.823 0.189 0.000 0.646 424 V HN 0.287 nan 8.190 nan 0.000 0.447 425 N N 0.432 119.163 118.700 0.053 0.000 2.120 425 N HA -0.098 4.621 4.740 -0.034 0.000 0.188 425 N C 1.878 177.397 175.510 0.015 0.000 1.024 425 N CA 1.631 54.700 53.050 0.033 0.000 0.852 425 N CB -0.612 37.890 38.487 0.025 0.000 1.003 425 N HN 0.486 nan 8.380 nan 0.000 0.424 426 A N 1.125 123.950 122.820 0.008 0.000 1.908 426 A HA -0.090 4.209 4.320 -0.034 0.000 0.218 426 A C 2.353 179.945 177.584 0.014 0.000 1.181 426 A CA 1.014 53.056 52.037 0.007 0.000 0.627 426 A CB -0.780 18.222 19.000 0.004 0.000 0.818 426 A HN 0.232 nan 8.150 nan 0.000 0.445 427 L N -0.771 120.452 121.223 0.000 0.000 2.017 427 L HA -0.193 4.126 4.340 -0.034 0.000 0.208 427 L C 2.589 179.464 176.870 0.009 0.000 1.073 427 L CA 1.245 56.081 54.840 -0.006 0.000 0.745 427 L CB -0.587 41.434 42.059 -0.064 0.000 0.894 427 L HN 0.374 nan 8.230 nan 0.000 0.432 428 L N -0.431 120.795 121.223 0.006 0.000 2.083 428 L HA -0.188 4.132 4.340 -0.034 0.000 0.209 428 L C 2.806 179.682 176.870 0.010 0.000 1.083 428 L CA 1.082 55.925 54.840 0.006 0.000 0.752 428 L CB -0.703 41.360 42.059 0.005 0.000 0.899 428 L HN 0.250 nan 8.230 nan 0.000 0.433 429 A N -0.607 122.220 122.820 0.011 0.000 2.015 429 A HA -0.191 4.109 4.320 -0.034 0.000 0.219 429 A C 2.191 179.782 177.584 0.013 0.000 1.163 429 A CA 1.092 53.134 52.037 0.009 0.000 0.646 429 A CB -0.315 18.689 19.000 0.006 0.000 0.806 429 A HN 0.486 nan 8.150 nan 0.000 0.448 430 Q N -1.704 118.110 119.800 0.023 0.000 2.291 430 Q HA 0.120 4.440 4.340 -0.034 0.000 0.205 430 Q C 1.246 177.262 176.000 0.026 0.000 0.970 430 Q CA 0.758 56.578 55.803 0.029 0.000 0.876 430 Q CB -0.053 28.719 28.738 0.056 0.000 0.935 430 Q HN 0.898 nan 8.270 nan 0.000 0.455 431 G N 0.062 108.876 108.800 0.023 0.000 2.175 431 G HA2 -0.193 3.747 3.960 -0.034 0.000 0.182 431 G HA3 -0.193 3.747 3.960 -0.034 0.000 0.182 431 G C 0.066 174.979 174.900 0.022 0.000 1.003 431 G CA -0.177 44.934 45.100 0.019 0.000 0.666 431 G HN 0.145 nan 8.290 nan 0.000 0.506 432 V N 1.367 121.298 119.914 0.029 0.000 2.694 432 V HA 0.174 4.274 4.120 -0.034 0.000 0.306 432 V C 1.173 177.268 176.094 0.003 0.000 1.054 432 V CA 0.384 62.697 62.300 0.021 0.000 1.161 432 V CB 0.824 32.653 31.823 0.010 0.000 0.916 432 V HN 0.373 nan 8.190 nan 0.000 0.490 433 K N 7.346 127.746 120.400 -0.001 0.000 2.401 433 K HA 0.154 4.453 4.320 -0.034 0.000 0.278 433 K C -1.390 175.200 176.600 -0.017 0.000 1.018 433 K CA -1.139 55.143 56.287 -0.009 0.000 0.981 433 K CB 0.581 33.076 32.500 -0.009 0.000 0.933 433 K HN 0.435 nan 8.250 nan 0.000 0.477 434 P HA -0.188 nan 4.420 nan 0.000 0.216 434 P C 1.185 178.469 177.300 -0.028 0.000 1.150 434 P CA 1.320 64.400 63.100 -0.033 0.000 0.837 434 P CB 0.037 31.710 31.700 -0.045 0.000 0.786 435 G N 0.164 108.953 108.800 -0.017 0.000 2.498 435 G HA2 -0.199 3.740 3.960 -0.034 0.000 0.219 435 G HA3 -0.199 3.740 3.960 -0.034 0.000 0.219 435 G C 1.573 176.477 174.900 0.007 0.000 1.119 435 G CA 0.426 45.525 45.100 -0.002 0.000 0.766 435 G HN 0.215 nan 8.290 nan 0.000 0.552 436 K N -0.066 120.325 120.400 -0.015 0.000 2.296 436 K HA 0.149 4.448 4.320 -0.034 0.000 0.200 436 K C 0.809 177.386 176.600 -0.039 0.000 1.048 436 K CA 0.116 56.382 56.287 -0.035 0.000 0.966 436 K CB 0.213 32.682 32.500 -0.052 0.000 0.754 436 K HN 0.333 nan 8.250 nan 0.000 0.466 437 I N 2.181 122.735 120.570 -0.026 0.000 2.312 437 I HA 0.063 4.213 4.170 -0.034 0.000 0.291 437 I C -0.390 175.744 176.117 0.027 0.000 1.031 437 I CA -0.615 60.670 61.300 -0.025 0.000 1.293 437 I CB 1.374 39.363 38.000 -0.017 0.000 1.403 437 I HN -0.351 nan 8.210 nan 0.000 0.484 438 V N 7.752 127.696 119.914 0.051 0.000 2.370 438 V HA 0.260 4.360 4.120 -0.034 0.000 0.283 438 V C 0.294 176.628 176.094 0.401 0.000 1.023 438 V CA -0.696 61.725 62.300 0.202 0.000 0.857 438 V CB 1.757 33.680 31.823 0.167 0.000 0.985 438 V HN 0.365 nan 8.190 nan 0.000 0.443 439 V N 4.150 124.258 119.914 0.323 0.000 2.649 439 V HA 0.490 4.589 4.120 -0.034 0.000 0.292 439 V C 1.022 177.235 176.094 0.199 0.000 1.055 439 V CA 0.078 62.544 62.300 0.276 0.000 1.023 439 V CB 1.570 33.523 31.823 0.218 0.000 0.992 439 V HN 0.977 nan 8.190 nan 0.000 0.480 440 G N 2.763 111.580 108.800 0.028 0.000 2.356 440 G HA2 0.583 4.522 3.960 -0.034 0.000 0.298 440 G HA3 0.583 4.522 3.960 -0.034 0.000 0.298 440 G C -0.119 174.693 174.900 -0.146 0.000 1.145 440 G CA -0.127 44.717 45.100 -0.426 0.000 0.850 440 G HN 0.832 nan 8.290 nan 0.000 0.487 441 T N -1.142 113.330 114.554 -0.136 0.000 2.863 441 T HA 0.722 5.052 4.350 -0.034 0.000 0.285 441 T C -0.147 174.501 174.700 -0.085 0.000 1.009 441 T CA -0.574 61.492 62.100 -0.057 0.000 0.989 441 T CB 2.048 70.859 68.868 -0.095 0.000 1.004 441 T HN 0.988 nan 8.240 nan 0.000 0.455 442 A N 3.520 126.222 122.820 -0.196 0.000 2.274 442 A HA 0.659 4.959 4.320 -0.034 0.000 0.309 442 A C 0.653 178.033 177.584 -0.340 0.000 1.226 442 A CA -0.980 50.755 52.037 -0.504 0.000 0.853 442 A CB 0.314 18.778 19.000 -0.892 0.000 1.146 442 A HN 0.987 nan 8.150 nan 0.000 0.518 443 M N 2.346 121.841 119.600 -0.175 0.000 2.626 443 M HA 0.218 4.677 4.480 -0.034 0.000 0.262 443 M C -0.967 175.428 176.300 0.159 0.000 1.256 443 M CA 0.280 55.560 55.300 -0.032 0.000 0.981 443 M CB -0.591 32.001 32.600 -0.013 0.000 1.492 443 M HN 0.748 nan 8.290 nan 0.000 0.474 444 Y N -3.446 116.906 120.300 0.087 0.000 2.571 444 Y HA 0.863 5.392 4.550 -0.034 0.000 0.341 444 Y C -0.351 175.635 175.900 0.143 0.000 1.076 444 Y CA -1.745 56.428 58.100 0.122 0.000 1.029 444 Y CB 0.396 38.918 38.460 0.103 0.000 1.308 444 Y HN -0.064 nan 8.280 nan 0.000 0.461 445 G N 1.750 110.689 108.800 0.232 0.000 2.461 445 G HA2 0.727 4.667 3.960 -0.034 0.000 0.329 445 G HA3 0.727 4.667 3.960 -0.034 0.000 0.329 445 G C -1.210 173.822 174.900 0.219 0.000 1.170 445 G CA -1.424 43.789 45.100 0.188 0.000 0.935 445 G HN 0.696 nan 8.290 nan 0.000 0.492 446 R N -0.991 119.576 120.500 0.112 0.000 2.778 446 R HA 0.742 5.062 4.340 -0.034 0.000 0.277 446 R C -0.104 176.024 176.300 -0.287 0.000 0.977 446 R CA -0.437 55.626 56.100 -0.061 0.000 0.950 446 R CB 2.316 32.563 30.300 -0.088 0.000 1.165 446 R HN 0.790 nan 8.270 nan 0.000 0.474 447 G N 0.361 108.861 108.800 -0.500 0.000 2.550 447 G HA2 0.470 4.410 3.960 -0.034 0.000 0.293 447 G HA3 0.470 4.410 3.960 -0.034 0.000 0.293 447 G C -1.911 172.639 174.900 -0.585 0.000 1.402 447 G CA -0.630 44.137 45.100 -0.555 0.000 0.784 447 G HN 0.349 nan 8.290 nan 0.000 0.482 448 W N -0.781 120.536 121.300 0.028 0.000 2.902 448 W HA 0.702 5.343 4.660 -0.032 0.000 0.346 448 W C -0.442 176.082 176.519 0.009 0.000 1.139 448 W CA -0.569 56.782 57.345 0.010 0.000 1.139 448 W CB 2.228 31.685 29.460 -0.004 0.000 1.439 448 W HN 0.640 nan 8.180 nan 0.000 0.558 449 T N -0.710 113.981 114.554 0.229 0.000 2.912 449 T HA 0.511 4.841 4.350 -0.034 0.000 0.288 449 T C 0.520 175.287 174.700 0.111 0.000 1.030 449 T CA 0.634 62.807 62.100 0.121 0.000 1.020 449 T CB 1.104 70.007 68.868 0.059 0.000 1.056 449 T HN 0.918 nan 8.240 nan 0.000 0.480 450 G N 1.802 110.639 108.800 0.061 0.000 2.147 450 G HA2 -0.195 3.744 3.960 -0.034 0.000 0.244 450 G HA3 -0.195 3.744 3.960 -0.034 0.000 0.244 450 G C 0.171 175.114 174.900 0.071 0.000 1.005 450 G CA 0.110 45.240 45.100 0.050 0.000 0.713 450 G HN 0.932 nan 8.290 nan 0.000 0.515 451 V N 0.941 120.920 119.914 0.108 0.000 2.673 451 V HA 0.458 4.558 4.120 -0.034 0.000 0.303 451 V C 0.584 176.790 176.094 0.185 0.000 1.046 451 V CA 0.896 63.242 62.300 0.077 0.000 1.126 451 V CB 0.920 32.751 31.823 0.012 0.000 0.934 451 V HN 1.028 nan 8.190 nan 0.000 0.487 452 N N 1.452 120.242 118.700 0.151 0.000 2.823 452 N HA 0.599 5.319 4.740 -0.034 0.000 0.251 452 N C -0.032 175.500 175.510 0.037 0.000 1.392 452 N CA -0.235 52.892 53.050 0.128 0.000 0.864 452 N CB 1.649 40.157 38.487 0.035 0.000 1.481 452 N HN 0.986 nan 8.380 nan 0.000 0.508 453 G N -0.541 108.166 108.800 -0.154 0.000 2.272 453 G HA2 -0.224 3.716 3.960 -0.034 0.000 0.280 453 G HA3 -0.224 3.716 3.960 -0.034 0.000 0.280 453 G C -0.755 174.051 174.900 -0.157 0.000 1.067 453 G CA 0.769 45.764 45.100 -0.175 0.000 0.902 453 G HN 0.981 nan 8.290 nan 0.000 0.500 454 Y N -2.159 118.034 120.300 -0.177 0.000 2.487 454 Y HA 0.869 5.409 4.550 -0.016 0.000 0.337 454 Y C 0.067 175.845 175.900 -0.203 0.000 1.076 454 Y CA -1.891 56.066 58.100 -0.239 0.000 1.115 454 Y CB 1.185 39.435 38.460 -0.350 0.000 1.235 454 Y HN 0.125 nan 8.280 nan 0.000 0.468 455 Q N 1.043 120.812 119.800 -0.053 0.000 2.257 455 Q HA 0.395 4.714 4.340 -0.034 0.000 0.262 455 Q C -0.495 175.479 176.000 -0.044 0.000 0.997 455 Q CA -0.754 55.001 55.803 -0.080 0.000 0.873 455 Q CB 0.904 29.592 28.738 -0.083 0.000 1.312 455 Q HN 0.744 nan 8.270 nan 0.000 0.450 456 N N 2.202 120.883 118.700 -0.033 0.000 2.747 456 N HA -0.223 4.496 4.740 -0.034 0.000 0.249 456 N C -0.954 174.559 175.510 0.004 0.000 1.107 456 N CA 0.809 53.851 53.050 -0.014 0.000 0.707 456 N CB -1.179 37.298 38.487 -0.017 0.000 1.054 456 N HN 0.827 nan 8.380 nan 0.000 0.555 457 N N -1.129 117.600 118.700 0.048 0.000 2.696 457 N HA -0.222 4.497 4.740 -0.034 0.000 0.249 457 N C -0.511 174.948 175.510 -0.086 0.000 1.090 457 N CA 1.145 54.241 53.050 0.077 0.000 0.716 457 N CB -1.044 37.484 38.487 0.069 0.000 1.020 457 N HN 0.605 nan 8.380 nan 0.000 0.548 458 I N 0.740 121.191 120.570 -0.200 0.000 2.330 458 I HA 0.151 4.300 4.170 -0.034 0.000 0.286 458 I C -1.431 174.208 176.117 -0.796 0.000 1.025 458 I CA -2.021 58.975 61.300 -0.506 0.000 1.197 458 I CB 1.690 39.275 38.000 -0.693 0.000 1.358 458 I HN -0.272 nan 8.210 nan 0.000 0.467 459 P HA -0.086 nan 4.420 nan 0.000 0.222 459 P C 1.360 177.965 177.300 -1.160 0.000 1.147 459 P CA 1.192 63.286 63.100 -1.677 0.000 0.790 459 P CB 0.079 30.438 31.700 -2.235 0.000 0.780 460 F N 0.337 119.711 119.950 -0.960 0.000 2.333 460 F HA -0.114 4.394 4.527 -0.031 0.000 0.300 460 F C 2.213 177.598 175.800 -0.692 0.000 1.083 460 F CA 1.690 59.184 58.000 -0.844 0.000 1.395 460 F CB -1.865 36.633 39.000 -0.836 0.000 1.056 460 F HN 0.013 nan 8.300 nan 0.000 0.529 461 T N -2.555 111.670 114.554 -0.550 0.000 3.085 461 T HA 0.182 4.512 4.350 -0.034 0.000 0.263 461 T C 1.466 176.034 174.700 -0.219 0.000 1.127 461 T CA 0.486 62.374 62.100 -0.354 0.000 1.103 461 T CB -0.844 67.815 68.868 -0.349 0.000 0.921 461 T HN 0.178 nan 8.240 nan 0.000 0.510 462 G N 1.308 109.978 108.800 -0.217 0.000 2.489 462 G HA2 0.501 4.441 3.960 -0.034 0.000 0.271 462 G HA3 0.501 4.441 3.960 -0.034 0.000 0.271 462 G C -0.131 174.657 174.900 -0.188 0.000 1.427 462 G CA 0.066 45.092 45.100 -0.124 0.000 1.057 462 G HN 0.688 nan 8.290 nan 0.000 0.532 463 T N -4.094 110.371 114.554 -0.149 0.000 2.883 463 T HA 0.740 5.070 4.350 -0.034 0.000 0.296 463 T C -0.447 174.169 174.700 -0.141 0.000 1.117 463 T CA -0.084 61.915 62.100 -0.168 0.000 1.006 463 T CB 1.784 70.597 68.868 -0.092 0.000 1.191 463 T HN 1.363 nan 8.240 nan 0.000 0.508 464 A N 0.412 123.154 122.820 -0.129 0.000 2.350 464 A HA 0.781 5.081 4.320 -0.034 0.000 0.318 464 A C 1.163 178.771 177.584 0.039 0.000 1.132 464 A CA -0.198 51.818 52.037 -0.036 0.000 0.811 464 A CB 1.248 20.238 19.000 -0.016 0.000 1.313 464 A HN 1.308 nan 8.150 nan 0.000 0.454 465 T N -2.488 112.107 114.554 0.070 0.000 3.037 465 T HA 0.517 4.847 4.350 -0.034 0.000 0.252 465 T C 0.828 175.580 174.700 0.087 0.000 1.073 465 T CA 0.944 63.083 62.100 0.064 0.000 1.091 465 T CB 0.015 68.911 68.868 0.046 0.000 0.935 465 T HN 1.964 nan 8.240 nan 0.000 0.488 466 G N 1.395 110.270 108.800 0.125 0.000 2.427 466 G HA2 0.543 4.482 3.960 -0.034 0.000 0.306 466 G HA3 0.543 4.482 3.960 -0.034 0.000 0.306 466 G C -3.408 171.580 174.900 0.148 0.000 1.280 466 G CA -0.953 44.221 45.100 0.124 0.000 0.837 466 G HN 0.076 nan 8.290 nan 0.000 0.482 467 P HA 0.443 nan 4.420 nan 0.000 0.281 467 P C 0.213 177.522 177.300 0.016 0.000 1.249 467 P CA -0.368 62.742 63.100 0.017 0.000 0.810 467 P CB 1.782 33.481 31.700 -0.003 0.000 1.008 468 V N 2.616 122.514 119.914 -0.027 0.000 2.963 468 V HA 0.029 4.128 4.120 -0.034 0.000 0.306 468 V C 0.785 176.864 176.094 -0.025 0.000 1.077 468 V CA -0.285 62.004 62.300 -0.018 0.000 1.124 468 V CB 0.137 31.931 31.823 -0.047 0.000 0.987 468 V HN 0.538 nan 8.190 nan 0.000 0.487 469 K N 4.001 124.392 120.400 -0.015 0.000 2.412 469 K HA 0.367 4.666 4.320 -0.034 0.000 0.284 469 K C 0.199 176.791 176.600 -0.014 0.000 1.046 469 K CA 0.307 56.593 56.287 -0.002 0.000 0.999 469 K CB 0.264 32.778 32.500 0.022 0.000 0.941 469 K HN 0.896 nan 8.250 nan 0.000 0.474 470 G N 2.051 110.838 108.800 -0.021 0.000 2.511 470 G HA2 0.111 4.051 3.960 -0.034 0.000 0.316 470 G HA3 0.111 4.051 3.960 -0.034 0.000 0.316 470 G C 0.589 175.417 174.900 -0.120 0.000 1.210 470 G CA -0.552 44.524 45.100 -0.040 0.000 0.969 470 G HN 0.672 nan 8.290 nan 0.000 0.492 471 T N -0.599 113.819 114.554 -0.227 0.000 2.770 471 T HA -0.078 4.251 4.350 -0.034 0.000 0.263 471 T C 1.479 175.641 174.700 -0.896 0.000 1.039 471 T CA 1.502 63.226 62.100 -0.626 0.000 1.142 471 T CB -0.085 68.326 68.868 -0.761 0.000 0.868 471 T HN 0.652 nan 8.240 nan 0.000 0.435 472 W N 1.316 122.646 121.300 0.050 0.000 3.097 472 W HA 0.310 4.950 4.660 -0.032 0.000 0.245 472 W C 0.703 177.248 176.519 0.044 0.000 1.120 472 W CA -0.642 56.736 57.345 0.055 0.000 1.468 472 W CB 0.833 30.338 29.460 0.076 0.000 0.851 472 W HN 0.209 nan 8.180 nan 0.000 0.692 473 E N 0.176 120.494 120.200 0.196 0.000 2.412 473 E HA 0.270 4.599 4.350 -0.034 0.000 0.279 473 E C -0.905 175.731 176.600 0.059 0.000 0.984 473 E CA -1.017 55.456 56.400 0.121 0.000 0.788 473 E CB 0.636 30.408 29.700 0.120 0.000 1.277 473 E HN -0.312 nan 8.360 nan 0.000 0.455 474 N N 0.236 118.961 118.700 0.041 0.000 2.458 474 N HA 0.264 4.984 4.740 -0.034 0.000 0.258 474 N C 0.927 176.436 175.510 -0.001 0.000 1.219 474 N CA 1.751 54.812 53.050 0.019 0.000 0.902 474 N CB 0.987 39.489 38.487 0.026 0.000 1.076 474 N HN 0.924 nan 8.380 nan 0.000 0.455 475 G N 0.751 109.532 108.800 -0.032 0.000 2.175 475 G HA2 -0.245 3.695 3.960 -0.034 0.000 0.244 475 G HA3 -0.245 3.695 3.960 -0.034 0.000 0.244 475 G C -0.017 174.835 174.900 -0.080 0.000 0.982 475 G CA -0.067 44.978 45.100 -0.091 0.000 0.641 475 G HN 0.531 nan 8.290 nan 0.000 0.527 476 I N 0.312 120.872 120.570 -0.016 0.000 2.569 476 I HA 0.604 4.753 4.170 -0.034 0.000 0.290 476 I C -0.510 175.644 176.117 0.062 0.000 1.088 476 I CA -1.258 60.069 61.300 0.045 0.000 1.047 476 I CB 2.552 40.575 38.000 0.038 0.000 1.237 476 I HN -0.084 nan 8.210 nan 0.000 0.421 477 V N 3.968 123.950 119.914 0.113 0.000 2.638 477 V HA 0.314 4.413 4.120 -0.034 0.000 0.306 477 V C -0.684 175.496 176.094 0.143 0.000 1.052 477 V CA -0.842 61.506 62.300 0.080 0.000 0.885 477 V CB 2.060 33.914 31.823 0.053 0.000 0.999 477 V HN 0.584 nan 8.190 nan 0.000 0.424 478 D N 1.598 122.063 120.400 0.107 0.000 2.472 478 D HA 0.009 4.629 4.640 -0.034 0.000 0.237 478 D C 0.651 177.017 176.300 0.109 0.000 1.141 478 D CA 0.248 54.345 54.000 0.162 0.000 0.875 478 D CB 0.655 41.541 40.800 0.142 0.000 1.192 478 D HN 0.640 nan 8.370 nan 0.000 0.450 479 Y N 3.146 123.471 120.300 0.042 0.000 2.165 479 Y HA -0.254 4.275 4.550 -0.034 0.000 0.286 479 Y C 2.359 178.230 175.900 -0.050 0.000 1.155 479 Y CA 1.938 60.031 58.100 -0.012 0.000 1.164 479 Y CB 0.033 38.512 38.460 0.031 0.000 0.978 479 Y HN 0.417 nan 8.280 nan 0.000 0.513 480 R N -0.148 120.300 120.500 -0.087 0.000 2.119 480 R HA -0.245 4.074 4.340 -0.034 0.000 0.246 480 R C 1.990 178.113 176.300 -0.295 0.000 1.146 480 R CA 2.188 58.182 56.100 -0.176 0.000 0.962 480 R CB -0.159 30.130 30.300 -0.018 0.000 0.863 480 R HN 0.402 nan 8.270 nan 0.000 0.442 481 Q N 0.196 119.836 119.800 -0.267 0.000 2.187 481 Q HA -0.043 4.277 4.340 -0.034 0.000 0.199 481 Q C 2.236 177.908 176.000 -0.546 0.000 0.957 481 Q CA 0.986 56.556 55.803 -0.389 0.000 0.857 481 Q CB -0.094 28.456 28.738 -0.313 0.000 0.929 481 Q HN 0.488 nan 8.270 nan 0.000 0.453 482 I N 0.886 121.214 120.570 -0.403 0.000 2.127 482 I HA -0.296 3.854 4.170 -0.034 0.000 0.241 482 I C 2.282 178.079 176.117 -0.534 0.000 1.075 482 I CA 1.443 62.482 61.300 -0.434 0.000 1.334 482 I CB -0.489 37.132 38.000 -0.631 0.000 1.040 482 I HN 0.079 nan 8.210 nan 0.000 0.405 483 A N 0.644 123.087 122.820 -0.627 0.000 1.969 483 A HA -0.044 4.256 4.320 -0.034 0.000 0.218 483 A C 2.375 179.755 177.584 -0.340 0.000 1.169 483 A CA 1.724 53.487 52.037 -0.455 0.000 0.635 483 A CB -1.138 17.537 19.000 -0.543 0.000 0.810 483 A HN 0.493 nan 8.150 nan 0.000 0.445 484 G N -1.734 106.833 108.800 -0.389 0.000 2.453 484 G HA2 0.045 3.985 3.960 -0.034 0.000 0.215 484 G HA3 0.045 3.985 3.960 -0.034 0.000 0.215 484 G C 1.482 176.148 174.900 -0.389 0.000 1.147 484 G CA 0.911 45.817 45.100 -0.322 0.000 0.802 484 G HN 0.561 nan 8.290 nan 0.000 0.535 485 Q N -1.623 117.793 119.800 -0.639 0.000 2.313 485 Q HA 0.253 4.573 4.340 -0.034 0.000 0.263 485 Q C 0.398 175.929 176.000 -0.781 0.000 0.820 485 Q CA -0.127 55.215 55.803 -0.770 0.000 0.974 485 Q CB 0.765 28.799 28.738 -1.173 0.000 1.156 485 Q HN 0.410 nan 8.270 nan 0.000 0.517 486 F N -0.301 119.299 119.950 -0.584 0.000 2.708 486 F HA 0.392 4.900 4.527 -0.033 0.000 0.300 486 F C 0.481 175.871 175.800 -0.684 0.000 1.118 486 F CA 0.128 57.430 58.000 -1.163 0.000 1.307 486 F CB 0.535 38.604 39.000 -1.552 0.000 0.986 486 F HN -0.065 nan 8.300 nan 0.000 0.522 487 M N 0.410 119.916 119.600 -0.157 0.000 3.004 487 M HA 0.243 4.702 4.480 -0.034 0.000 0.365 487 M C -0.176 176.178 176.300 0.091 0.000 1.317 487 M CA -0.074 55.272 55.300 0.076 0.000 0.821 487 M CB 0.490 33.141 32.600 0.085 0.000 1.387 487 M HN 0.098 nan 8.290 nan 0.000 0.501 488 S N -2.312 113.475 115.700 0.145 0.000 2.672 488 S HA 0.925 5.375 4.470 -0.034 0.000 0.271 488 S C 0.246 175.004 174.600 0.263 0.000 1.171 488 S CA -0.115 58.177 58.200 0.154 0.000 0.817 488 S CB 1.300 64.542 63.200 0.070 0.000 1.150 488 S HN 0.616 nan 8.310 nan 0.000 0.478 489 G N 1.475 110.378 108.800 0.172 0.000 2.561 489 G HA2 -0.327 3.613 3.960 -0.034 0.000 0.289 489 G HA3 -0.327 3.613 3.960 -0.034 0.000 0.289 489 G C 0.524 175.508 174.900 0.140 0.000 1.169 489 G CA 0.687 45.880 45.100 0.155 0.000 0.980 489 G HN 1.070 nan 8.290 nan 0.000 0.550 490 E N 0.070 120.320 120.200 0.082 0.000 2.478 490 E HA 0.053 4.382 4.350 -0.034 0.000 0.194 490 E C 0.173 176.728 176.600 -0.075 0.000 1.045 490 E CA -0.374 55.991 56.400 -0.057 0.000 0.868 490 E CB 0.117 29.706 29.700 -0.184 0.000 0.885 490 E HN 0.409 nan 8.360 nan 0.000 0.505 491 W N 2.529 123.848 121.300 0.031 0.000 2.381 491 W HA 0.046 4.691 4.660 -0.025 0.000 0.321 491 W C 0.409 176.984 176.519 0.093 0.000 1.407 491 W CA -0.105 57.269 57.345 0.048 0.000 1.274 491 W CB 0.292 29.817 29.460 0.107 0.000 1.310 491 W HN -0.023 nan 8.180 nan 0.000 0.551 492 Q N 2.295 122.265 119.800 0.284 0.000 2.340 492 Q HA 0.195 4.515 4.340 -0.034 0.000 0.249 492 Q C -1.120 175.079 176.000 0.332 0.000 0.957 492 Q CA -0.442 55.521 55.803 0.267 0.000 0.882 492 Q CB 1.041 29.916 28.738 0.227 0.000 1.235 492 Q HN 0.445 nan 8.270 nan 0.000 0.439 493 Y N 0.785 121.182 120.300 0.161 0.000 2.350 493 Y HA 0.356 4.886 4.550 -0.034 0.000 0.338 493 Y C -0.975 174.928 175.900 0.005 0.000 0.961 493 Y CA -0.392 57.787 58.100 0.132 0.000 1.100 493 Y CB 1.833 40.395 38.460 0.170 0.000 1.179 493 Y HN 0.523 nan 8.280 nan 0.000 0.454 494 T N 5.786 120.292 114.554 -0.081 0.000 2.886 494 T HA 0.238 4.568 4.350 -0.034 0.000 0.292 494 T C -1.943 172.722 174.700 -0.059 0.000 1.012 494 T CA -0.563 61.465 62.100 -0.121 0.000 0.982 494 T CB 0.965 69.502 68.868 -0.551 0.000 1.018 494 T HN 0.458 nan 8.240 nan 0.000 0.451 495 Y N 2.804 123.148 120.300 0.074 0.000 2.353 495 Y HA 0.365 4.895 4.550 -0.034 0.000 0.340 495 Y C -0.093 175.867 175.900 0.100 0.000 0.972 495 Y CA -0.962 57.190 58.100 0.085 0.000 1.157 495 Y CB 0.740 39.270 38.460 0.118 0.000 1.157 495 Y HN 0.522 nan 8.280 nan 0.000 0.495 496 D N 4.994 125.200 120.400 -0.323 0.000 2.352 496 D HA 0.195 4.814 4.640 -0.034 0.000 0.245 496 D C 0.512 176.622 176.300 -0.317 0.000 1.224 496 D CA 0.304 54.232 54.000 -0.121 0.000 0.879 496 D CB 1.464 42.303 40.800 0.064 0.000 1.057 496 D HN 0.782 nan 8.370 nan 0.000 0.491 497 A N 3.227 126.061 122.820 0.022 0.000 2.119 497 A HA -0.047 4.253 4.320 -0.034 0.000 0.216 497 A C 1.980 179.580 177.584 0.027 0.000 1.152 497 A CA 0.889 53.009 52.037 0.139 0.000 0.708 497 A CB -0.010 19.111 19.000 0.202 0.000 0.805 497 A HN 0.580 nan 8.150 nan 0.000 0.460 498 T N 0.014 114.549 114.554 -0.031 0.000 2.770 498 T HA 0.081 4.411 4.350 -0.034 0.000 0.258 498 T C 2.274 176.889 174.700 -0.141 0.000 1.039 498 T CA 1.375 63.431 62.100 -0.073 0.000 1.143 498 T CB -0.316 68.500 68.868 -0.086 0.000 0.866 498 T HN 0.519 nan 8.240 nan 0.000 0.428 499 A N 0.730 123.420 122.820 -0.216 0.000 1.968 499 A HA 0.018 4.318 4.320 -0.034 0.000 0.217 499 A C 0.583 177.995 177.584 -0.287 0.000 1.169 499 A CA 0.742 52.610 52.037 -0.282 0.000 0.638 499 A CB -0.112 18.644 19.000 -0.407 0.000 0.812 499 A HN 0.488 nan 8.150 nan 0.000 0.446 500 E N -1.864 118.149 120.200 -0.312 0.000 2.326 500 E HA -0.132 4.198 4.350 -0.034 0.000 0.195 500 E C -0.298 176.039 176.600 -0.439 0.000 1.367 500 E CA 0.837 57.088 56.400 -0.247 0.000 0.666 500 E CB -2.226 27.455 29.700 -0.031 0.000 1.147 500 E HN 1.326 nan 8.360 nan 0.000 0.384 501 A N 1.351 123.627 122.820 -0.906 0.000 2.512 501 A HA 0.666 4.966 4.320 -0.034 0.000 0.294 501 A C -2.796 174.342 177.584 -0.744 0.000 1.054 501 A CA -1.113 50.470 52.037 -0.756 0.000 0.756 501 A CB 2.066 20.436 19.000 -1.050 0.000 1.293 501 A HN 0.008 nan 8.150 nan 0.000 0.395 502 P HA 0.653 nan 4.420 nan 0.000 0.284 502 P C -1.504 175.576 177.300 -0.366 0.000 1.258 502 P CA -0.092 62.727 63.100 -0.468 0.000 0.824 502 P CB 0.884 32.192 31.700 -0.654 0.000 1.038 503 Y N -0.700 119.449 120.300 -0.253 0.000 2.558 503 Y HA 0.616 5.144 4.550 -0.037 0.000 0.333 503 Y C -1.282 174.727 175.900 0.182 0.000 1.125 503 Y CA -1.599 56.591 58.100 0.150 0.000 1.039 503 Y CB 0.785 39.488 38.460 0.405 0.000 1.331 503 Y HN 0.324 nan 8.280 nan 0.000 0.456 504 V N 0.533 120.733 119.914 0.477 0.000 2.628 504 V HA 0.814 4.914 4.120 -0.034 0.000 0.306 504 V C -1.559 174.905 176.094 0.617 0.000 1.045 504 V CA -0.906 61.628 62.300 0.389 0.000 0.905 504 V CB 1.957 33.939 31.823 0.265 0.000 0.997 504 V HN 0.905 nan 8.190 nan 0.000 0.436 505 F N 2.953 123.125 119.950 0.369 0.000 2.557 505 F HA 0.632 5.134 4.527 -0.043 0.000 0.316 505 F C -0.409 175.317 175.800 -0.123 0.000 1.141 505 F CA -1.057 57.016 58.000 0.122 0.000 0.922 505 F CB 2.136 41.135 39.000 -0.002 0.000 1.194 505 F HN 0.727 nan 8.300 nan 0.000 0.443 506 K N 8.362 128.059 120.400 -1.172 0.000 2.347 506 K HA 0.405 4.705 4.320 -0.034 0.000 0.262 506 K C -2.225 173.578 176.600 -1.327 0.000 1.052 506 K CA -1.953 53.516 56.287 -1.363 0.000 0.946 506 K CB 1.472 32.874 32.500 -1.831 0.000 1.220 506 K HN 0.283 nan 8.250 nan 0.000 0.450 507 P HA -0.217 nan 4.420 nan 0.000 0.216 507 P C 1.018 178.082 177.300 -0.392 0.000 1.150 507 P CA 1.233 63.923 63.100 -0.683 0.000 0.843 507 P CB 0.254 31.828 31.700 -0.210 0.000 0.787 508 S N -1.923 113.560 115.700 -0.362 0.000 2.461 508 S HA -0.055 4.395 4.470 -0.034 0.000 0.228 508 S C 1.657 176.129 174.600 -0.212 0.000 1.005 508 S CA 1.511 59.574 58.200 -0.228 0.000 0.942 508 S CB -1.562 61.520 63.200 -0.197 0.000 0.776 508 S HN 0.256 nan 8.310 nan 0.000 0.514 509 T N -3.252 111.125 114.554 -0.295 0.000 2.990 509 T HA 0.520 4.849 4.350 -0.034 0.000 0.249 509 T C 1.523 176.120 174.700 -0.172 0.000 1.039 509 T CA 0.440 62.418 62.100 -0.203 0.000 1.036 509 T CB -0.084 68.663 68.868 -0.203 0.000 0.994 509 T HN 1.191 nan 8.240 nan 0.000 0.489 510 G N 2.199 110.826 108.800 -0.288 0.000 2.149 510 G HA2 -0.170 3.770 3.960 -0.034 0.000 0.235 510 G HA3 -0.170 3.770 3.960 -0.034 0.000 0.235 510 G C -0.612 174.248 174.900 -0.067 0.000 1.018 510 G CA -0.215 44.799 45.100 -0.144 0.000 0.728 510 G HN 0.534 nan 8.290 nan 0.000 0.508 511 D N -0.069 120.173 120.400 -0.264 0.000 2.383 511 D HA 0.426 5.046 4.640 -0.034 0.000 0.252 511 D C 0.264 176.635 176.300 0.119 0.000 1.166 511 D CA 0.256 54.211 54.000 -0.075 0.000 0.879 511 D CB 1.727 42.422 40.800 -0.174 0.000 1.164 511 D HN 0.299 nan 8.370 nan 0.000 0.462 512 L N 4.113 125.537 121.223 0.334 0.000 2.381 512 L HA 0.517 4.836 4.340 -0.034 0.000 0.274 512 L C -1.309 175.811 176.870 0.416 0.000 0.988 512 L CA -0.476 54.631 54.840 0.444 0.000 0.824 512 L CB 1.340 43.584 42.059 0.308 0.000 1.263 512 L HN 0.278 nan 8.230 nan 0.000 0.410 513 I N 3.657 124.461 120.570 0.390 0.000 2.499 513 I HA 0.375 4.525 4.170 -0.034 0.000 0.288 513 I C -0.416 176.005 176.117 0.506 0.000 1.048 513 I CA -0.513 60.960 61.300 0.288 0.000 1.062 513 I CB 2.276 40.318 38.000 0.069 0.000 1.238 513 I HN 0.599 nan 8.210 nan 0.000 0.426 514 T N 6.586 121.419 114.554 0.464 0.000 2.779 514 T HA 0.754 5.084 4.350 -0.034 0.000 0.280 514 T C -0.807 174.173 174.700 0.466 0.000 0.987 514 T CA -0.305 62.125 62.100 0.550 0.000 0.966 514 T CB 0.414 69.619 68.868 0.562 0.000 0.933 514 T HN 0.398 nan 8.240 nan 0.000 0.442 515 F N 1.299 121.347 119.950 0.163 0.000 2.692 515 F HA 0.773 5.278 4.527 -0.036 0.000 0.320 515 F C -0.858 174.968 175.800 0.043 0.000 1.123 515 F CA -1.640 56.403 58.000 0.072 0.000 0.961 515 F CB 0.407 39.489 39.000 0.136 0.000 1.383 515 F HN 0.245 nan 8.300 nan 0.000 0.483 516 D N 1.014 121.455 120.400 0.068 0.000 2.225 516 D HA 0.355 4.974 4.640 -0.034 0.000 0.249 516 D C -0.817 175.526 176.300 0.072 0.000 1.052 516 D CA 0.261 54.236 54.000 -0.041 0.000 0.909 516 D CB 1.629 42.375 40.800 -0.090 0.000 1.186 516 D HN 0.713 nan 8.370 nan 0.000 0.431 517 D N -0.826 119.605 120.400 0.051 0.000 2.758 517 D HA 0.413 5.033 4.640 -0.034 0.000 0.262 517 D C 0.685 177.013 176.300 0.046 0.000 1.113 517 D CA -0.683 53.414 54.000 0.162 0.000 1.114 517 D CB 0.130 41.209 40.800 0.465 0.000 1.363 517 D HN 0.187 nan 8.370 nan 0.000 0.617 518 A N -0.418 122.447 122.820 0.076 0.000 1.940 518 A HA -0.173 4.127 4.320 -0.034 0.000 0.219 518 A C 2.197 179.780 177.584 -0.002 0.000 1.176 518 A CA 2.079 54.126 52.037 0.016 0.000 0.631 518 A CB -0.765 18.258 19.000 0.040 0.000 0.814 518 A HN 0.560 nan 8.150 nan 0.000 0.446 519 R N 0.096 120.587 120.500 -0.016 0.000 2.073 519 R HA -0.103 4.217 4.340 -0.034 0.000 0.229 519 R C 2.509 178.816 176.300 0.012 0.000 1.120 519 R CA 1.747 57.778 56.100 -0.115 0.000 0.967 519 R CB -0.262 29.756 30.300 -0.469 0.000 0.862 519 R HN 0.648 nan 8.270 nan 0.000 0.436 520 S N -0.419 115.393 115.700 0.188 0.000 2.402 520 S HA -0.079 4.371 4.470 -0.034 0.000 0.229 520 S C 2.003 176.643 174.600 0.066 0.000 1.021 520 S CA 1.203 59.522 58.200 0.199 0.000 0.974 520 S CB -0.376 62.904 63.200 0.135 0.000 0.800 520 S HN 0.138 nan 8.310 nan 0.000 0.484 521 V N 2.377 122.305 119.914 0.024 0.000 2.295 521 V HA -0.210 3.890 4.120 -0.034 0.000 0.246 521 V C 2.974 179.075 176.094 0.011 0.000 1.049 521 V CA 2.213 64.511 62.300 -0.003 0.000 1.024 521 V CB -1.025 30.773 31.823 -0.042 0.000 0.648 521 V HN 0.641 nan 8.190 nan 0.000 0.447 522 Q N 0.102 119.905 119.800 0.005 0.000 2.096 522 Q HA -0.253 4.067 4.340 -0.034 0.000 0.204 522 Q C 2.228 178.249 176.000 0.034 0.000 0.982 522 Q CA 2.186 57.994 55.803 0.009 0.000 0.850 522 Q CB -0.316 28.416 28.738 -0.010 0.000 0.901 522 Q HN 0.624 nan 8.270 nan 0.000 0.422 523 A N 1.082 123.931 122.820 0.048 0.000 1.908 523 A HA -0.230 4.069 4.320 -0.034 0.000 0.218 523 A C 1.958 179.594 177.584 0.086 0.000 1.181 523 A CA 1.837 53.913 52.037 0.066 0.000 0.627 523 A CB -0.414 18.633 19.000 0.078 0.000 0.818 523 A HN 0.406 nan 8.150 nan 0.000 0.445 524 K N -0.854 119.593 120.400 0.078 0.000 2.097 524 K HA -0.066 4.234 4.320 -0.034 0.000 0.205 524 K C 2.135 178.837 176.600 0.171 0.000 1.050 524 K CA 1.015 57.382 56.287 0.133 0.000 0.938 524 K CB -0.390 32.163 32.500 0.089 0.000 0.718 524 K HN 0.465 nan 8.250 nan 0.000 0.442 525 G N 2.083 110.942 108.800 0.098 0.000 2.404 525 G HA2 -0.288 3.652 3.960 -0.034 0.000 0.215 525 G HA3 -0.288 3.652 3.960 -0.034 0.000 0.215 525 G C 1.419 176.365 174.900 0.077 0.000 1.174 525 G CA 0.784 45.928 45.100 0.072 0.000 0.780 525 G HN 0.243 nan 8.290 nan 0.000 0.537 526 K N -0.553 119.896 120.400 0.082 0.000 2.044 526 K HA -0.243 4.057 4.320 -0.034 0.000 0.210 526 K C 2.197 178.863 176.600 0.110 0.000 1.049 526 K CA 1.653 57.988 56.287 0.080 0.000 0.927 526 K CB -0.466 32.080 32.500 0.076 0.000 0.713 526 K HN 0.337 nan 8.250 nan 0.000 0.443 527 Y N 1.465 121.776 120.300 0.019 0.000 2.128 527 Y HA -0.237 4.293 4.550 -0.033 0.000 0.284 527 Y C 1.953 177.866 175.900 0.023 0.000 1.154 527 Y CA 1.617 59.729 58.100 0.020 0.000 1.149 527 Y CB -0.558 37.915 38.460 0.022 0.000 0.976 527 Y HN -0.115 nan 8.280 nan 0.000 0.505 528 V N 0.826 120.715 119.914 -0.041 0.000 2.282 528 V HA -0.374 3.725 4.120 -0.034 0.000 0.249 528 V C 2.583 178.614 176.094 -0.105 0.000 1.057 528 V CA 2.293 64.520 62.300 -0.121 0.000 1.032 528 V CB -0.869 30.962 31.823 0.013 0.000 0.645 528 V HN 0.494 nan 8.190 nan 0.000 0.447 529 L N -0.454 120.748 121.223 -0.036 0.000 2.046 529 L HA -0.174 4.146 4.340 -0.034 0.000 0.208 529 L C 2.393 179.237 176.870 -0.044 0.000 1.077 529 L CA 1.638 56.463 54.840 -0.025 0.000 0.747 529 L CB -0.815 41.247 42.059 0.004 0.000 0.896 529 L HN 0.347 nan 8.230 nan 0.000 0.432 530 D N 0.088 120.461 120.400 -0.045 0.000 2.117 530 D HA -0.133 4.487 4.640 -0.034 0.000 0.197 530 D C 1.841 178.088 176.300 -0.089 0.000 0.987 530 D CA 1.154 55.130 54.000 -0.041 0.000 0.829 530 D CB -0.028 40.774 40.800 0.003 0.000 0.961 530 D HN 0.081 nan 8.370 nan 0.000 0.460 531 K N 0.481 120.764 120.400 -0.195 0.000 2.417 531 K HA 0.127 4.427 4.320 -0.034 0.000 0.196 531 K C 0.113 176.619 176.600 -0.156 0.000 1.023 531 K CA -0.069 56.089 56.287 -0.215 0.000 1.122 531 K CB 0.224 32.473 32.500 -0.418 0.000 0.850 531 K HN 0.225 nan 8.250 nan 0.000 0.521 532 Q N 0.423 120.156 119.800 -0.112 0.000 2.487 532 Q HA -0.194 4.126 4.340 -0.034 0.000 0.279 532 Q C -0.309 175.651 176.000 -0.066 0.000 1.228 532 Q CA 0.328 56.091 55.803 -0.067 0.000 0.873 532 Q CB -1.987 26.724 28.738 -0.044 0.000 1.260 532 Q HN 0.296 nan 8.270 nan 0.000 0.471 533 L N -1.823 119.343 121.223 -0.095 0.000 2.505 533 L HA 0.296 4.616 4.340 -0.034 0.000 0.226 533 L C 1.807 178.670 176.870 -0.012 0.000 1.211 533 L CA 0.512 55.314 54.840 -0.063 0.000 0.828 533 L CB 0.018 42.020 42.059 -0.095 0.000 1.331 533 L HN 0.251 nan 8.230 nan 0.000 0.513 534 G N -1.738 107.073 108.800 0.018 0.000 2.603 534 G HA2 0.447 4.386 3.960 -0.034 0.000 0.214 534 G HA3 0.447 4.386 3.960 -0.034 0.000 0.214 534 G C 0.446 175.377 174.900 0.051 0.000 1.140 534 G CA 0.686 45.813 45.100 0.045 0.000 0.800 534 G HN 0.936 nan 8.290 nan 0.000 0.533 535 G N -1.073 107.768 108.800 0.067 0.000 2.373 535 G HA2 0.304 4.244 3.960 -0.034 0.000 0.250 535 G HA3 0.304 4.244 3.960 -0.034 0.000 0.250 535 G C -1.824 173.161 174.900 0.142 0.000 1.304 535 G CA -0.856 44.296 45.100 0.085 0.000 0.948 535 G HN 0.388 nan 8.290 nan 0.000 0.474 536 L N 0.309 121.631 121.223 0.165 0.000 2.388 536 L HA 0.853 5.173 4.340 -0.034 0.000 0.264 536 L C -0.573 176.480 176.870 0.305 0.000 0.998 536 L CA -0.961 53.997 54.840 0.196 0.000 0.817 536 L CB 2.179 44.291 42.059 0.088 0.000 1.338 536 L HN 0.820 nan 8.230 nan 0.000 0.414 537 F N -0.010 120.049 119.950 0.182 0.000 2.629 537 F HA 0.913 5.420 4.527 -0.033 0.000 0.316 537 F C -0.603 175.326 175.800 0.216 0.000 1.081 537 F CA -0.846 57.254 58.000 0.166 0.000 0.954 537 F CB 1.747 40.831 39.000 0.138 0.000 1.337 537 F HN 0.404 nan 8.300 nan 0.000 0.474 538 S N 0.768 116.508 115.700 0.067 0.000 2.599 538 S HA 0.601 5.051 4.470 -0.034 0.000 0.287 538 S C -2.056 172.703 174.600 0.265 0.000 1.105 538 S CA -0.628 57.566 58.200 -0.011 0.000 0.899 538 S CB 2.168 65.361 63.200 -0.013 0.000 1.100 538 S HN 1.093 nan 8.310 nan 0.000 0.482 539 W N 2.609 123.893 121.300 -0.027 0.000 2.683 539 W HA 0.469 5.108 4.660 -0.035 0.000 0.329 539 W C -1.225 175.315 176.519 0.036 0.000 1.037 539 W CA -0.506 56.841 57.345 0.004 0.000 1.232 539 W CB 1.820 31.222 29.460 -0.098 0.000 1.390 539 W HN 1.072 nan 8.180 nan 0.000 0.465 540 E N 3.660 123.670 120.200 -0.316 0.000 2.320 540 E HA 0.320 4.650 4.350 -0.034 0.000 0.264 540 E C 0.016 176.347 176.600 -0.449 0.000 0.923 540 E CA -0.865 55.061 56.400 -0.789 0.000 0.796 540 E CB 2.556 31.420 29.700 -1.394 0.000 1.262 540 E HN 0.265 nan 8.360 nan 0.000 0.428 541 I N 1.488 121.799 120.570 -0.432 0.000 2.676 541 I HA -0.179 3.970 4.170 -0.034 0.000 0.259 541 I C 1.558 177.282 176.117 -0.655 0.000 1.194 541 I CA 1.307 62.413 61.300 -0.323 0.000 1.473 541 I CB -0.367 37.569 38.000 -0.106 0.000 1.096 541 I HN 0.673 nan 8.210 nan 0.000 0.443 542 D N 0.514 120.307 120.400 -1.011 0.000 2.264 542 D HA -0.121 4.499 4.640 -0.034 0.000 0.208 542 D C 1.783 177.658 176.300 -0.709 0.000 0.966 542 D CA 1.088 54.112 54.000 -1.626 0.000 0.864 542 D CB -0.193 39.922 40.800 -1.141 0.000 0.933 542 D HN 0.415 nan 8.370 nan 0.000 0.499 543 A N 0.337 122.943 122.820 -0.357 0.000 2.178 543 A HA 0.002 4.301 4.320 -0.034 0.000 0.211 543 A C 0.898 178.503 177.584 0.036 0.000 1.157 543 A CA 0.058 52.058 52.037 -0.062 0.000 0.780 543 A CB -0.111 18.923 19.000 0.057 0.000 0.828 543 A HN 0.088 nan 8.150 nan 0.000 0.476 544 D N 0.145 120.535 120.400 -0.016 0.000 2.339 544 D HA 0.134 4.754 4.640 -0.034 0.000 0.245 544 D C 0.773 177.164 176.300 0.152 0.000 1.115 544 D CA 0.071 54.141 54.000 0.117 0.000 0.917 544 D CB 0.628 41.444 40.800 0.026 0.000 1.192 544 D HN 0.297 nan 8.370 nan 0.000 0.428 545 N N 1.475 120.322 118.700 0.245 0.000 2.236 545 N HA 0.172 4.892 4.740 -0.034 0.000 0.196 545 N C 1.092 176.696 175.510 0.157 0.000 1.114 545 N CA 0.573 53.724 53.050 0.168 0.000 0.859 545 N CB 0.973 39.534 38.487 0.123 0.000 0.982 545 N HN 0.532 nan 8.380 nan 0.000 0.493 546 G N -0.033 108.860 108.800 0.155 0.000 2.545 546 G HA2 -0.225 3.715 3.960 -0.034 0.000 0.195 546 G HA3 -0.225 3.715 3.960 -0.034 0.000 0.195 546 G C 0.543 175.506 174.900 0.105 0.000 1.009 546 G CA 0.222 45.394 45.100 0.120 0.000 0.703 546 G HN 0.236 nan 8.290 nan 0.000 0.479 547 D N 0.976 121.463 120.400 0.145 0.000 2.117 547 D HA -0.022 4.598 4.640 -0.034 0.000 0.197 547 D C 2.610 178.901 176.300 -0.016 0.000 0.987 547 D CA 1.023 55.090 54.000 0.111 0.000 0.829 547 D CB -0.002 40.938 40.800 0.234 0.000 0.961 547 D HN 0.361 nan 8.370 nan 0.000 0.460 548 I N 0.549 121.041 120.570 -0.130 0.000 2.163 548 I HA -0.182 3.968 4.170 -0.034 0.000 0.240 548 I C 2.428 178.484 176.117 -0.103 0.000 1.081 548 I CA 0.669 61.853 61.300 -0.193 0.000 1.353 548 I CB -1.124 36.696 38.000 -0.301 0.000 1.054 548 I HN 0.055 nan 8.210 nan 0.000 0.407 549 L N 1.421 122.606 121.223 -0.062 0.000 2.141 549 L HA -0.116 4.203 4.340 -0.034 0.000 0.209 549 L C 2.085 178.899 176.870 -0.094 0.000 1.094 549 L CA 1.590 56.397 54.840 -0.056 0.000 0.763 549 L CB -0.916 41.137 42.059 -0.011 0.000 0.908 549 L HN 0.190 nan 8.230 nan 0.000 0.437 550 N N -0.845 117.833 118.700 -0.037 0.000 2.069 550 N HA -0.202 4.518 4.740 -0.034 0.000 0.191 550 N C 2.058 177.457 175.510 -0.185 0.000 1.031 550 N CA 1.621 54.642 53.050 -0.048 0.000 0.852 550 N CB -0.563 38.001 38.487 0.129 0.000 1.018 550 N HN 0.400 nan 8.380 nan 0.000 0.423 551 S N 0.190 115.832 115.700 -0.097 0.000 2.406 551 S HA 0.052 4.501 4.470 -0.034 0.000 0.228 551 S C 1.947 176.473 174.600 -0.123 0.000 1.020 551 S CA 0.575 58.721 58.200 -0.091 0.000 0.965 551 S CB -0.050 63.120 63.200 -0.049 0.000 0.798 551 S HN 0.187 nan 8.310 nan 0.000 0.488 552 M N 1.433 120.957 119.600 -0.127 0.000 2.080 552 M HA -0.130 4.329 4.480 -0.034 0.000 0.260 552 M C 2.169 178.377 176.300 -0.154 0.000 1.068 552 M CA 1.530 56.768 55.300 -0.103 0.000 1.109 552 M CB -0.545 32.011 32.600 -0.075 0.000 1.342 552 M HN 0.352 nan 8.290 nan 0.000 0.405 553 N N 0.313 118.831 118.700 -0.302 0.000 2.058 553 N HA -0.101 4.619 4.740 -0.034 0.000 0.191 553 N C 1.754 177.028 175.510 -0.393 0.000 1.037 553 N CA 1.773 54.557 53.050 -0.445 0.000 0.848 553 N CB -0.184 37.742 38.487 -0.935 0.000 1.021 553 N HN 0.325 nan 8.380 nan 0.000 0.422 554 A N 1.064 123.626 122.820 -0.430 0.000 1.898 554 A HA -0.120 4.179 4.320 -0.034 0.000 0.216 554 A C 2.398 179.956 177.584 -0.044 0.000 1.181 554 A CA 1.969 53.931 52.037 -0.125 0.000 0.620 554 A CB -0.686 18.308 19.000 -0.010 0.000 0.819 554 A HN 0.469 nan 8.150 nan 0.000 0.442 555 S N -0.238 115.428 115.700 -0.058 0.000 2.423 555 S HA 0.016 4.465 4.470 -0.034 0.000 0.231 555 S C 1.532 176.130 174.600 -0.003 0.000 1.014 555 S CA 1.223 59.413 58.200 -0.016 0.000 0.965 555 S CB -0.509 62.685 63.200 -0.010 0.000 0.785 555 S HN 0.427 nan 8.310 nan 0.000 0.495 556 L N 0.906 122.119 121.223 -0.017 0.000 2.591 556 L HA 0.333 4.653 4.340 -0.034 0.000 0.228 556 L C 1.698 178.576 176.870 0.013 0.000 1.133 556 L CA 0.352 55.194 54.840 0.003 0.000 0.880 556 L CB -0.459 41.602 42.059 0.004 0.000 1.033 556 L HN 0.613 nan 8.230 nan 0.000 0.450 557 G N -0.157 108.652 108.800 0.015 0.000 2.131 557 G HA2 -0.236 3.703 3.960 -0.034 0.000 0.223 557 G HA3 -0.236 3.703 3.960 -0.034 0.000 0.223 557 G C -0.038 174.896 174.900 0.057 0.000 0.990 557 G CA -0.420 44.703 45.100 0.038 0.000 0.671 557 G HN 0.310 nan 8.290 nan 0.000 0.521 558 N N 0.945 119.680 118.700 0.059 0.000 2.513 558 N HA 0.443 5.163 4.740 -0.034 0.000 0.268 558 N C 0.436 176.075 175.510 0.216 0.000 1.180 558 N CA 0.332 53.451 53.050 0.115 0.000 0.948 558 N CB 1.073 39.617 38.487 0.095 0.000 1.083 558 N HN 0.264 nan 8.380 nan 0.000 0.455 559 S N 0.743 116.543 115.700 0.166 0.000 2.545 559 S HA 0.427 4.877 4.470 -0.034 0.000 0.275 559 S C 0.385 175.050 174.600 0.108 0.000 1.299 559 S CA -0.907 57.372 58.200 0.131 0.000 1.048 559 S CB 0.936 64.174 63.200 0.065 0.000 0.938 559 S HN 0.652 nan 8.310 nan 0.000 0.496 560 A N 2.435 125.245 122.820 -0.016 0.000 2.520 560 A HA 0.580 4.880 4.320 -0.034 0.000 0.235 560 A C 1.102 178.583 177.584 -0.173 0.000 1.065 560 A CA 0.596 52.458 52.037 -0.292 0.000 0.764 560 A CB -0.839 18.003 19.000 -0.263 0.000 1.002 560 A HN 1.658 nan 8.150 nan 0.000 0.502 561 G N -0.917 107.757 108.800 -0.209 0.000 2.396 561 G HA2 0.429 4.368 3.960 -0.034 0.000 0.254 561 G HA3 0.429 4.368 3.960 -0.034 0.000 0.254 561 G C -0.448 174.419 174.900 -0.054 0.000 1.248 561 G CA 0.138 45.178 45.100 -0.100 0.000 1.033 561 G HN 2.415 nan 8.290 nan 0.000 0.502 562 V N -2.407 117.494 119.914 -0.021 0.000 2.925 562 V HA 0.908 5.008 4.120 -0.034 0.000 0.311 562 V C -0.184 175.918 176.094 0.013 0.000 1.104 562 V CA 0.134 62.437 62.300 0.004 0.000 0.954 562 V CB 1.192 33.016 31.823 0.001 0.000 1.022 562 V HN 1.717 nan 8.190 nan 0.000 0.427 563 Q N 0.000 119.816 119.800 0.027 0.000 2.315 563 Q HA 0.000 4.320 4.340 -0.034 0.000 0.214 563 Q CA 0.000 55.816 55.803 0.021 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