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 1u77_1_A DATA FIRST_RESID 3 DATA SEQUENCE AVADKADNAF XXICTALVLF XTIPGIALFY GGLIRGKNVL SXLTQVTVTF DATA SEQUENCE ALVCILWVVY GYSLASGEGN NFFGNINWLX LKNIELTAVX GSIYQYIHVA DATA SEQUENCE FQGSFACITV GLIVGALAER IRFPAVLIFV VVWLTLSYIP IAHXVWGGGL DATA SEQUENCE LASHGALDFA GGTVVHINAA IAGLVGAYLI GKRVGFGKEA FKPHNLPXVF DATA SEQUENCE TGTAILYIGW FGFNAGSAGT ANEIAALAFV NTVVATAAAI LGWIFGEWAL DATA SEQUENCE RGLPSLLGAC SGAIAGLVGV TPACGYIGVG GALIIGVVAG LAGLWGVTXL DATA SEQUENCE KRLLRVDDPC DVFGVHGVCG IVGCIXTGIF AASSLGGVGF AEGVTXGHQL DATA SEQUENCE LVQLESIAIT IVWSGVVAFI GYKLADLTVG LRV 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 3 A HA 0.000 nan 4.320 nan 0.000 0.244 3 A C 0.000 177.567 177.584 -0.028 0.000 1.274 3 A CA 0.000 52.027 52.037 -0.017 0.000 0.836 3 A CB 0.000 18.980 19.000 -0.033 0.000 0.831 4 V N 0.657 120.540 119.914 -0.052 0.000 2.555 4 V HA 0.685 4.805 4.120 -0.000 0.000 0.302 4 V C 0.575 176.579 176.094 -0.150 0.000 1.038 4 V CA -0.100 62.157 62.300 -0.072 0.000 0.887 4 V CB 1.292 33.088 31.823 -0.045 0.000 0.991 4 V HN 1.688 nan 8.190 nan 0.000 0.434 5 A N 2.886 125.543 122.820 -0.272 0.000 2.401 5 A HA 0.411 4.731 4.320 -0.000 0.000 0.259 5 A C -0.024 177.405 177.584 -0.258 0.000 1.103 5 A CA -0.215 51.558 52.037 -0.439 0.000 0.789 5 A CB 0.232 18.536 19.000 -1.160 0.000 1.035 5 A HN 0.840 nan 8.150 nan 0.000 0.491 6 D N 2.253 122.537 120.400 -0.194 0.000 2.317 6 D HA 0.159 4.799 4.640 -0.000 0.000 0.234 6 D C 0.739 176.986 176.300 -0.087 0.000 1.112 6 D CA -0.277 53.658 54.000 -0.108 0.000 0.840 6 D CB 0.808 41.561 40.800 -0.079 0.000 1.078 6 D HN 0.552 nan 8.370 nan 0.000 0.486 7 K N 2.390 122.761 120.400 -0.048 0.000 2.113 7 K HA -0.189 4.131 4.320 -0.000 0.000 0.208 7 K C 1.784 178.392 176.600 0.013 0.000 1.047 7 K CA 1.310 57.596 56.287 -0.002 0.000 0.928 7 K CB 0.046 32.559 32.500 0.021 0.000 0.716 7 K HN 0.461 nan 8.250 nan 0.000 0.446 8 A N 2.050 124.870 122.820 0.000 0.000 1.902 8 A HA -0.211 4.109 4.320 -0.000 0.000 0.217 8 A C 1.677 179.289 177.584 0.048 0.000 1.181 8 A CA 1.916 53.960 52.037 0.012 0.000 0.623 8 A CB -0.345 18.641 19.000 -0.022 0.000 0.818 8 A HN 0.190 nan 8.150 nan 0.000 0.443 9 D N 0.002 120.416 120.400 0.023 0.000 2.149 9 D HA -0.105 4.535 4.640 -0.000 0.000 0.201 9 D C 1.623 177.967 176.300 0.073 0.000 0.972 9 D CA 0.985 55.024 54.000 0.065 0.000 0.835 9 D CB -0.412 40.388 40.800 -0.000 0.000 0.966 9 D HN 0.347 nan 8.370 nan 0.000 0.476 10 N N 1.098 119.812 118.700 0.023 0.000 2.069 10 N HA -0.129 4.611 4.740 -0.000 0.000 0.191 10 N C 1.792 177.345 175.510 0.073 0.000 1.031 10 N CA 1.345 54.421 53.050 0.042 0.000 0.852 10 N CB -0.401 38.127 38.487 0.068 0.000 1.018 10 N HN 0.126 nan 8.380 nan 0.000 0.423 11 A N 1.122 123.994 122.820 0.087 0.000 1.858 11 A HA -0.094 4.226 4.320 -0.000 0.000 0.216 11 A C 1.242 178.905 177.584 0.132 0.000 1.190 11 A CA 0.509 52.604 52.037 0.096 0.000 0.617 11 A CB -0.901 18.154 19.000 0.090 0.000 0.827 11 A HN 0.245 nan 8.150 nan 0.000 0.443 16 C N 1.452 120.676 119.300 -0.127 0.000 2.425 16 C HA -0.123 4.337 4.460 -0.000 0.000 0.277 16 C C 2.839 177.945 174.990 0.193 0.000 1.280 16 C CA 2.181 61.172 59.018 -0.044 0.000 1.744 16 C CB -0.882 26.684 27.740 -0.290 0.000 1.989 16 C HN 0.528 nan 8.230 nan 0.000 0.491 17 T N 1.025 115.716 114.554 0.229 0.000 2.746 17 T HA -0.112 4.238 4.350 -0.000 0.000 0.267 17 T C 2.110 176.879 174.700 0.114 0.000 1.039 17 T CA 1.585 63.834 62.100 0.248 0.000 1.142 17 T CB -0.377 68.618 68.868 0.212 0.000 0.866 17 T HN 0.644 nan 8.240 nan 0.000 0.444 18 A N 1.252 124.120 122.820 0.081 0.000 1.902 18 A HA 0.012 4.332 4.320 -0.000 0.000 0.217 18 A C 2.301 179.933 177.584 0.079 0.000 1.181 18 A CA 1.177 53.245 52.037 0.053 0.000 0.623 18 A CB -0.859 18.146 19.000 0.008 0.000 0.818 18 A HN 0.468 nan 8.150 nan 0.000 0.443 19 L N -0.566 120.717 121.223 0.101 0.000 2.046 19 L HA -0.174 4.166 4.340 -0.000 0.000 0.208 19 L C 2.535 179.497 176.870 0.153 0.000 1.077 19 L CA 1.158 56.104 54.840 0.177 0.000 0.747 19 L CB -0.544 41.619 42.059 0.173 0.000 0.896 19 L HN 0.258 nan 8.230 nan 0.000 0.432 20 V N -0.003 119.954 119.914 0.071 0.000 2.358 20 V HA -0.276 3.844 4.120 -0.000 0.000 0.246 20 V C 2.385 178.453 176.094 -0.043 0.000 1.047 20 V CA 1.546 63.815 62.300 -0.051 0.000 1.035 20 V CB -0.378 31.341 31.823 -0.174 0.000 0.658 20 V HN 0.344 nan 8.190 nan 0.000 0.452 21 L N -1.419 119.823 121.223 0.033 0.000 2.079 21 L HA -0.117 4.223 4.340 -0.000 0.000 0.210 21 L C 1.639 178.539 176.870 0.050 0.000 1.081 21 L CA 0.848 55.729 54.840 0.068 0.000 0.752 21 L CB -0.481 41.656 42.059 0.129 0.000 0.896 21 L HN 0.310 nan 8.230 nan 0.000 0.433 25 I N 4.288 124.654 120.570 -0.339 0.000 2.371 25 I HA 0.344 4.514 4.170 -0.000 0.000 0.282 25 I C -2.084 173.984 176.117 -0.081 0.000 1.031 25 I CA -2.278 58.840 61.300 -0.303 0.000 1.180 25 I CB 1.119 38.797 38.000 -0.536 0.000 1.336 25 I HN 0.135 nan 8.210 nan 0.000 0.467 26 P HA 0.142 nan 4.420 nan 0.000 0.275 26 P C 1.252 178.444 177.300 -0.180 0.000 1.310 26 P CA 0.176 63.202 63.100 -0.124 0.000 0.904 26 P CB 1.034 32.702 31.700 -0.054 0.000 1.381 27 G N 2.279 110.895 108.800 -0.307 0.000 2.839 27 G HA2 -0.337 3.623 3.960 -0.000 0.000 0.221 27 G HA3 -0.337 3.623 3.960 -0.000 0.000 0.221 27 G C 1.336 176.128 174.900 -0.180 0.000 1.271 27 G CA 1.277 46.186 45.100 -0.318 0.000 0.789 27 G HN 0.263 nan 8.290 nan 0.000 0.659 28 I N 1.895 122.365 120.570 -0.167 0.000 2.335 28 I HA -0.051 4.119 4.170 -0.000 0.000 0.251 28 I C 3.031 179.192 176.117 0.073 0.000 1.129 28 I CA 1.412 62.664 61.300 -0.080 0.000 1.402 28 I CB -0.492 37.481 38.000 -0.044 0.000 1.069 28 I HN 0.256 nan 8.210 nan 0.000 0.424 29 A N -0.004 122.834 122.820 0.029 0.000 1.902 29 A HA -0.142 4.178 4.320 -0.000 0.000 0.217 29 A C 2.292 179.904 177.584 0.048 0.000 1.181 29 A CA 1.718 53.792 52.037 0.061 0.000 0.623 29 A CB -0.886 18.112 19.000 -0.003 0.000 0.818 29 A HN 0.474 nan 8.150 nan 0.000 0.443 30 L N -2.280 118.941 121.223 -0.004 0.000 2.109 30 L HA -0.100 4.240 4.340 -0.000 0.000 0.207 30 L C 2.454 179.301 176.870 -0.038 0.000 1.086 30 L CA 1.230 56.054 54.840 -0.026 0.000 0.760 30 L CB -0.544 41.481 42.059 -0.056 0.000 0.910 30 L HN 0.473 nan 8.230 nan 0.000 0.437 31 F N 0.263 120.092 119.950 -0.201 0.000 2.046 31 F HA -0.303 4.224 4.527 -0.000 0.000 0.297 31 F C 2.386 178.007 175.800 -0.298 0.000 1.123 31 F CA 1.766 59.583 58.000 -0.305 0.000 1.199 31 F CB -0.417 38.322 39.000 -0.435 0.000 0.972 31 F HN -0.069 nan 8.300 nan 0.000 0.474 32 Y N 0.347 120.629 120.300 -0.030 0.000 2.314 32 Y HA 0.036 4.586 4.550 0.000 0.000 0.293 32 Y C 2.695 178.503 175.900 -0.154 0.000 1.129 32 Y CA 0.952 58.974 58.100 -0.129 0.000 1.201 32 Y CB -1.348 37.099 38.460 -0.022 0.000 0.999 32 Y HN 0.138 nan 8.280 nan 0.000 0.541 33 G N -0.439 108.388 108.800 0.046 0.000 2.469 33 G HA2 -0.257 3.703 3.960 -0.000 0.000 0.220 33 G HA3 -0.257 3.703 3.960 -0.000 0.000 0.220 33 G C 1.980 176.846 174.900 -0.055 0.000 1.136 33 G CA 1.054 46.155 45.100 0.002 0.000 0.759 33 G HN 0.518 nan 8.290 nan 0.000 0.562 34 G N -0.143 108.570 108.800 -0.145 0.000 2.813 34 G HA2 0.175 4.135 3.960 -0.000 0.000 0.209 34 G HA3 0.175 4.135 3.960 -0.000 0.000 0.209 34 G C 1.510 176.254 174.900 -0.260 0.000 1.150 34 G CA 0.086 45.075 45.100 -0.186 0.000 0.785 34 G HN 0.436 nan 8.290 nan 0.000 0.535 35 L N 0.348 121.388 121.223 -0.306 0.000 2.556 35 L HA 0.403 4.743 4.340 -0.000 0.000 0.226 35 L C 1.024 177.901 176.870 0.010 0.000 1.089 35 L CA -0.066 54.534 54.840 -0.399 0.000 0.864 35 L CB 0.067 41.767 42.059 -0.597 0.000 1.067 35 L HN 0.263 nan 8.230 nan 0.000 0.477 36 I N -1.730 118.855 120.570 0.025 0.000 2.607 36 I HA 0.410 4.579 4.170 -0.000 0.000 0.305 36 I C 0.133 176.282 176.117 0.053 0.000 0.995 36 I CA -1.112 60.229 61.300 0.069 0.000 1.148 36 I CB 1.162 39.184 38.000 0.037 0.000 1.323 36 I HN 0.006 nan 8.210 nan 0.000 0.461 37 R N 3.668 124.198 120.500 0.049 0.000 2.570 37 R HA 0.138 4.478 4.340 -0.000 0.000 0.277 37 R C 0.879 177.190 176.300 0.019 0.000 1.039 37 R CA 0.180 56.299 56.100 0.031 0.000 1.065 37 R CB -0.682 29.626 30.300 0.014 0.000 0.964 37 R HN 0.979 nan 8.270 nan 0.000 0.428 38 G N 3.258 112.068 108.800 0.016 0.000 2.550 38 G HA2 -0.421 3.539 3.960 -0.000 0.000 0.222 38 G HA3 -0.421 3.539 3.960 -0.000 0.000 0.222 38 G C 1.261 176.166 174.900 0.008 0.000 1.113 38 G CA 1.343 46.451 45.100 0.013 0.000 0.748 38 G HN 0.866 nan 8.290 nan 0.000 0.585 39 K N -0.200 120.201 120.400 0.002 0.000 2.209 39 K HA -0.010 4.309 4.320 -0.000 0.000 0.204 39 K C 1.487 178.090 176.600 0.004 0.000 1.048 39 K CA 1.444 57.730 56.287 -0.001 0.000 0.940 39 K CB -0.095 32.399 32.500 -0.010 0.000 0.729 39 K HN 0.205 nan 8.250 nan 0.000 0.451 40 N N 0.558 119.261 118.700 0.005 0.000 2.205 40 N HA 0.038 4.778 4.740 -0.000 0.000 0.201 40 N C 1.412 176.930 175.510 0.013 0.000 1.128 40 N CA 0.174 53.229 53.050 0.007 0.000 0.867 40 N CB 0.716 39.202 38.487 -0.002 0.000 0.996 40 N HN -0.010 nan 8.380 nan 0.000 0.503 41 V N 1.644 121.567 119.914 0.016 0.000 2.295 41 V HA -0.189 3.931 4.120 -0.000 0.000 0.246 41 V C 2.388 178.498 176.094 0.027 0.000 1.049 41 V CA 1.353 63.665 62.300 0.020 0.000 1.024 41 V CB -0.441 31.394 31.823 0.020 0.000 0.648 41 V HN 0.243 nan 8.190 nan 0.000 0.447 42 L N -0.390 120.851 121.223 0.029 0.000 2.042 42 L HA -0.117 4.223 4.340 -0.000 0.000 0.210 42 L C 1.711 178.616 176.870 0.058 0.000 1.076 42 L CA 0.824 55.688 54.840 0.040 0.000 0.749 42 L CB -0.626 41.454 42.059 0.035 0.000 0.893 42 L HN 0.294 nan 8.230 nan 0.000 0.432 46 T N 0.255 114.870 114.554 0.102 0.000 2.708 46 T HA -0.195 4.155 4.350 -0.000 0.000 0.266 46 T C 1.614 176.423 174.700 0.182 0.000 1.037 46 T CA 1.820 64.032 62.100 0.187 0.000 1.146 46 T CB -0.117 68.919 68.868 0.281 0.000 0.865 46 T HN 0.283 nan 8.240 nan 0.000 0.435 47 Q N 0.131 119.951 119.800 0.034 0.000 2.119 47 Q HA -0.052 4.288 4.340 -0.000 0.000 0.201 47 Q C 2.562 178.509 176.000 -0.089 0.000 0.972 47 Q CA 0.988 56.657 55.803 -0.224 0.000 0.847 47 Q CB -0.278 28.274 28.738 -0.311 0.000 0.903 47 Q HN 0.348 nan 8.270 nan 0.000 0.433 48 V N 0.360 120.265 119.914 -0.014 0.000 2.358 48 V HA -0.230 3.890 4.120 -0.000 0.000 0.246 48 V C 2.136 178.281 176.094 0.086 0.000 1.047 48 V CA 2.081 64.396 62.300 0.025 0.000 1.035 48 V CB -0.662 31.173 31.823 0.020 0.000 0.658 48 V HN 0.417 nan 8.190 nan 0.000 0.452 49 T N -0.044 114.564 114.554 0.090 0.000 2.777 49 T HA -0.142 4.208 4.350 -0.000 0.000 0.266 49 T C 1.927 176.763 174.700 0.226 0.000 1.040 49 T CA 1.643 63.830 62.100 0.144 0.000 1.141 49 T CB -0.175 68.761 68.868 0.114 0.000 0.868 49 T HN 0.290 nan 8.240 nan 0.000 0.444 50 V N 2.284 122.312 119.914 0.190 0.000 2.379 50 V HA -0.144 3.976 4.120 -0.000 0.000 0.245 50 V C 2.992 179.168 176.094 0.137 0.000 1.044 50 V CA 2.040 64.462 62.300 0.203 0.000 1.036 50 V CB -1.296 30.737 31.823 0.351 0.000 0.664 50 V HN 0.709 nan 8.190 nan 0.000 0.453 51 T N -1.656 112.947 114.554 0.082 0.000 2.951 51 T HA -0.179 4.171 4.350 -0.000 0.000 0.268 51 T C 1.774 176.527 174.700 0.089 0.000 1.073 51 T CA 1.385 63.519 62.100 0.057 0.000 1.134 51 T CB -0.535 68.344 68.868 0.019 0.000 0.884 51 T HN 0.400 nan 8.240 nan 0.000 0.479 52 F N 2.860 122.808 119.950 -0.003 0.000 2.113 52 F HA 0.218 4.745 4.527 -0.000 0.000 0.297 52 F C 2.555 178.353 175.800 -0.002 0.000 1.103 52 F CA 0.782 58.774 58.000 -0.014 0.000 1.248 52 F CB -0.895 38.099 39.000 -0.011 0.000 0.999 52 F HN 0.239 nan 8.300 nan 0.000 0.475 53 A N 0.674 123.476 122.820 -0.030 0.000 1.902 53 A HA -0.164 4.156 4.320 -0.000 0.000 0.217 53 A C 2.140 179.647 177.584 -0.127 0.000 1.181 53 A CA 1.761 53.727 52.037 -0.118 0.000 0.623 53 A CB -1.363 17.677 19.000 0.067 0.000 0.818 53 A HN 0.526 nan 8.150 nan 0.000 0.443 54 L N 0.015 121.213 121.223 -0.042 0.000 2.012 54 L HA -0.120 4.220 4.340 -0.000 0.000 0.210 54 L C 2.384 179.212 176.870 -0.069 0.000 1.073 54 L CA 2.031 56.856 54.840 -0.024 0.000 0.748 54 L CB -0.634 41.441 42.059 0.026 0.000 0.891 54 L HN 0.151 nan 8.230 nan 0.000 0.431 55 V N -1.150 118.701 119.914 -0.104 0.000 2.343 55 V HA -0.345 3.775 4.120 -0.000 0.000 0.247 55 V C 2.657 178.665 176.094 -0.143 0.000 1.051 55 V CA 1.815 64.046 62.300 -0.114 0.000 1.036 55 V CB -0.798 30.940 31.823 -0.141 0.000 0.654 55 V HN 0.650 nan 8.190 nan 0.000 0.451 56 C N -0.284 118.841 119.300 -0.291 0.000 2.413 56 C HA -0.139 4.321 4.460 -0.000 0.000 0.276 56 C C 2.576 177.510 174.990 -0.093 0.000 1.248 56 C CA 0.535 59.399 59.018 -0.257 0.000 1.742 56 C CB -0.939 26.543 27.740 -0.430 0.000 2.017 56 C HN 0.466 nan 8.230 nan 0.000 0.481 57 I N 0.747 121.257 120.570 -0.101 0.000 2.233 57 I HA -0.110 4.060 4.170 -0.000 0.000 0.243 57 I C 2.409 178.467 176.117 -0.099 0.000 1.093 57 I CA 1.652 62.912 61.300 -0.067 0.000 1.380 57 I CB -1.430 36.542 38.000 -0.046 0.000 1.067 57 I HN 0.338 nan 8.210 nan 0.000 0.413 58 L N -0.754 120.387 121.223 -0.136 0.000 2.127 58 L HA -0.251 4.088 4.340 -0.000 0.000 0.211 58 L C 2.603 179.211 176.870 -0.436 0.000 1.089 58 L CA 1.353 55.978 54.840 -0.358 0.000 0.757 58 L CB -0.595 41.296 42.059 -0.281 0.000 0.899 58 L HN 0.473 nan 8.230 nan 0.000 0.434 59 W N 0.512 121.623 121.300 -0.315 0.000 2.355 59 W HA -0.176 4.484 4.660 -0.000 0.000 0.309 59 W C 2.155 178.594 176.519 -0.133 0.000 1.206 59 W CA 1.584 58.807 57.345 -0.203 0.000 1.284 59 W CB 0.037 29.410 29.460 -0.145 0.000 1.145 59 W HN -0.072 nan 8.180 nan 0.000 0.502 60 V N 0.493 120.364 119.914 -0.071 0.000 2.453 60 V HA -0.270 3.850 4.120 -0.000 0.000 0.247 60 V C 2.150 178.166 176.094 -0.131 0.000 1.048 60 V CA 1.441 63.665 62.300 -0.126 0.000 1.049 60 V CB -0.832 30.952 31.823 -0.065 0.000 0.672 60 V HN 0.005 nan 8.190 nan 0.000 0.457 61 V N 0.139 119.969 119.914 -0.140 0.000 2.270 61 V HA -0.218 3.902 4.120 -0.000 0.000 0.245 61 V C 1.893 178.007 176.094 0.033 0.000 1.043 61 V CA 2.842 65.113 62.300 -0.047 0.000 1.014 61 V CB -0.538 31.278 31.823 -0.012 0.000 0.645 61 V HN 0.878 nan 8.190 nan 0.000 0.447 62 Y N -2.585 117.675 120.300 -0.065 0.000 2.580 62 Y HA 0.519 5.069 4.550 -0.000 0.000 0.290 62 Y C 1.850 177.644 175.900 -0.177 0.000 0.981 62 Y CA 0.268 58.320 58.100 -0.080 0.000 1.120 62 Y CB -0.615 37.816 38.460 -0.050 0.000 1.415 62 Y HN -0.030 nan 8.280 nan 0.000 0.588 63 G N 1.282 109.764 108.800 -0.530 0.000 2.446 63 G HA2 -0.370 3.590 3.960 -0.000 0.000 0.217 63 G HA3 -0.370 3.590 3.960 -0.000 0.000 0.217 63 G C 1.425 175.722 174.900 -1.006 0.000 1.168 63 G CA 1.655 46.423 45.100 -0.554 0.000 0.771 63 G HN 0.507 nan 8.290 nan 0.000 0.551 64 Y N 1.522 120.931 120.300 -1.485 0.000 2.145 64 Y HA -0.110 4.440 4.550 -0.000 0.000 0.286 64 Y C 3.147 178.908 175.900 -0.233 0.000 1.145 64 Y CA 1.750 59.198 58.100 -1.087 0.000 1.148 64 Y CB -0.555 37.447 38.460 -0.765 0.000 0.981 64 Y HN 0.242 nan 8.280 nan 0.000 0.507 65 S N -0.335 115.309 115.700 -0.093 0.000 2.368 65 S HA -0.149 4.321 4.470 -0.000 0.000 0.225 65 S C 1.968 176.538 174.600 -0.050 0.000 1.030 65 S CA 1.588 59.833 58.200 0.075 0.000 0.999 65 S CB -0.522 62.782 63.200 0.173 0.000 0.844 65 S HN 0.523 nan 8.310 nan 0.000 0.459 66 L N 0.372 121.577 121.223 -0.031 0.000 2.313 66 L HA 0.140 4.480 4.340 -0.000 0.000 0.214 66 L C 2.594 179.503 176.870 0.064 0.000 1.119 66 L CA 0.829 55.690 54.840 0.036 0.000 0.809 66 L CB -0.376 41.736 42.059 0.088 0.000 0.933 66 L HN 0.390 nan 8.230 nan 0.000 0.449 67 A N -1.358 121.460 122.820 -0.003 0.000 1.924 67 A HA -0.008 4.312 4.320 -0.000 0.000 0.211 67 A C 2.271 179.948 177.584 0.156 0.000 1.198 67 A CA 1.121 53.237 52.037 0.131 0.000 0.657 67 A CB -0.076 19.038 19.000 0.189 0.000 0.852 67 A HN 0.258 nan 8.150 nan 0.000 0.454 68 S N -0.456 115.210 115.700 -0.057 0.000 2.512 68 S HA 0.290 4.760 4.470 -0.000 0.000 0.216 68 S C 1.123 175.745 174.600 0.037 0.000 1.006 68 S CA 0.129 58.307 58.200 -0.037 0.000 0.915 68 S CB 0.194 63.281 63.200 -0.189 0.000 0.824 68 S HN 0.700 nan 8.310 nan 0.000 0.497 69 G N 2.442 111.210 108.800 -0.053 0.000 2.594 69 G HA2 0.307 4.267 3.960 -0.000 0.000 0.243 69 G HA3 0.307 4.267 3.960 -0.000 0.000 0.243 69 G C -0.244 174.572 174.900 -0.139 0.000 1.229 69 G CA -0.490 44.408 45.100 -0.336 0.000 0.843 69 G HN 0.502 nan 8.290 nan 0.000 0.578 70 E N 0.439 120.495 120.200 -0.240 0.000 2.313 70 E HA 0.605 4.955 4.350 -0.000 0.000 0.276 70 E C 0.543 177.065 176.600 -0.129 0.000 1.031 70 E CA -0.329 56.012 56.400 -0.098 0.000 0.857 70 E CB 1.332 30.961 29.700 -0.119 0.000 1.040 70 E HN 0.554 nan 8.360 nan 0.000 0.408 71 G N 3.132 111.879 108.800 -0.088 0.000 3.349 71 G HA2 0.075 4.035 3.960 -0.000 0.000 0.155 71 G HA3 0.075 4.035 3.960 -0.000 0.000 0.155 71 G C -0.590 174.158 174.900 -0.252 0.000 1.219 71 G CA -0.008 44.936 45.100 -0.259 0.000 1.356 71 G HN 0.711 nan 8.290 nan 0.000 0.687 72 N N 0.081 118.525 118.700 -0.426 0.000 2.909 72 N HA 0.198 4.938 4.740 -0.000 0.000 0.326 72 N C 0.078 175.465 175.510 -0.205 0.000 1.368 72 N CA -0.608 52.267 53.050 -0.292 0.000 0.797 72 N CB 0.429 38.722 38.487 -0.322 0.000 1.150 72 N HN 0.242 nan 8.380 nan 0.000 0.550 73 N N -0.909 117.628 118.700 -0.272 0.000 2.463 73 N HA 0.116 4.856 4.740 -0.000 0.000 0.181 73 N C 0.652 175.784 175.510 -0.631 0.000 1.078 73 N CA 0.586 53.356 53.050 -0.466 0.000 0.902 73 N CB -0.032 38.032 38.487 -0.705 0.000 0.970 73 N HN 0.391 nan 8.380 nan 0.000 0.451 74 F N -0.539 119.362 119.950 -0.083 0.000 2.680 74 F HA 0.250 4.777 4.527 0.000 0.000 0.290 74 F C 0.338 176.100 175.800 -0.063 0.000 1.114 74 F CA -0.426 57.563 58.000 -0.018 0.000 1.333 74 F CB 0.292 39.429 39.000 0.228 0.000 1.091 74 F HN -0.180 nan 8.300 nan 0.000 0.606 75 F N -1.781 117.904 119.950 -0.442 0.000 2.686 75 F HA 0.814 5.341 4.527 -0.000 0.000 0.311 75 F C 0.278 175.449 175.800 -1.048 0.000 1.128 75 F CA -1.748 55.805 58.000 -0.745 0.000 0.946 75 F CB 0.351 39.203 39.000 -0.247 0.000 1.336 75 F HN -0.091 nan 8.300 nan 0.000 0.457 76 G N 0.551 109.016 108.800 -0.559 0.000 3.197 76 G HA2 0.384 4.344 3.960 -0.000 0.000 0.167 76 G HA3 0.384 4.344 3.960 -0.000 0.000 0.167 76 G C -0.605 174.195 174.900 -0.166 0.000 1.914 76 G CA 0.082 45.019 45.100 -0.272 0.000 0.956 76 G HN 1.075 nan 8.290 nan 0.000 0.480 77 N N -1.371 117.262 118.700 -0.112 0.000 3.278 77 N HA 0.308 5.048 4.740 -0.000 0.000 0.307 77 N C -0.103 175.370 175.510 -0.062 0.000 1.551 77 N CA -0.443 52.552 53.050 -0.092 0.000 0.794 77 N CB 1.511 39.874 38.487 -0.206 0.000 1.770 77 N HN 0.539 nan 8.380 nan 0.000 0.612 78 I N -3.451 117.084 120.570 -0.057 0.000 3.762 78 I HA 0.340 4.510 4.170 -0.000 0.000 0.333 78 I C -0.021 176.084 176.117 -0.019 0.000 1.566 78 I CA -0.613 60.680 61.300 -0.012 0.000 1.129 78 I CB -0.567 37.433 38.000 0.000 0.000 1.218 78 I HN 0.333 nan 8.210 nan 0.000 0.456 79 N N 0.658 119.283 118.700 -0.125 0.000 2.494 79 N HA -0.012 4.728 4.740 -0.000 0.000 0.182 79 N C 0.085 175.636 175.510 0.069 0.000 1.076 79 N CA 0.513 53.491 53.050 -0.119 0.000 0.908 79 N CB 0.113 38.416 38.487 -0.307 0.000 0.967 79 N HN 0.505 nan 8.380 nan 0.000 0.449 80 W N 1.825 123.149 121.300 0.040 0.000 2.390 80 W HA 0.398 5.058 4.660 -0.000 0.000 0.397 80 W C -0.047 176.501 176.519 0.049 0.000 0.839 80 W CA -0.882 56.501 57.345 0.063 0.000 2.576 80 W CB -0.719 28.809 29.460 0.113 0.000 1.346 80 W HN -0.071 nan 8.180 nan 0.000 0.708 84 K N -0.062 120.422 120.400 0.140 0.000 2.380 84 K HA 0.198 4.518 4.320 -0.000 0.000 0.267 84 K C 0.412 177.154 176.600 0.237 0.000 0.990 84 K CA 0.063 56.444 56.287 0.157 0.000 0.946 84 K CB 0.387 32.973 32.500 0.143 0.000 0.937 84 K HN 0.168 nan 8.250 nan 0.000 0.491 85 N N -0.348 118.467 118.700 0.192 0.000 2.878 85 N HA -0.184 4.556 4.740 -0.000 0.000 0.247 85 N C -0.933 174.698 175.510 0.201 0.000 1.021 85 N CA 1.242 54.429 53.050 0.228 0.000 0.873 85 N CB -1.285 37.399 38.487 0.327 0.000 1.128 85 N HN 0.652 nan 8.380 nan 0.000 0.571 86 I N 1.648 122.275 120.570 0.095 0.000 2.371 86 I HA 0.115 4.285 4.170 -0.000 0.000 0.282 86 I C 0.485 176.658 176.117 0.093 0.000 1.031 86 I CA -0.516 60.788 61.300 0.008 0.000 1.180 86 I CB 1.043 38.939 38.000 -0.174 0.000 1.336 86 I HN -0.163 nan 8.210 nan 0.000 0.467 87 E N 5.483 125.719 120.200 0.060 0.000 2.415 87 E HA 0.065 4.415 4.350 -0.000 0.000 0.262 87 E C 1.094 177.667 176.600 -0.044 0.000 1.038 87 E CA -0.015 56.393 56.400 0.013 0.000 0.921 87 E CB 1.375 31.084 29.700 0.016 0.000 0.950 87 E HN 0.588 nan 8.360 nan 0.000 0.438 88 L N 1.209 122.315 121.223 -0.194 0.000 2.131 88 L HA -0.187 4.153 4.340 -0.000 0.000 0.210 88 L C 2.071 178.740 176.870 -0.336 0.000 1.092 88 L CA 1.765 56.343 54.840 -0.437 0.000 0.759 88 L CB -0.484 41.277 42.059 -0.496 0.000 0.903 88 L HN 0.564 nan 8.230 nan 0.000 0.435 89 T N -2.881 111.565 114.554 -0.179 0.000 3.169 89 T HA 0.348 4.698 4.350 -0.000 0.000 0.250 89 T C 0.723 175.548 174.700 0.210 0.000 1.111 89 T CA 0.025 62.110 62.100 -0.026 0.000 1.010 89 T CB -0.179 68.694 68.868 0.008 0.000 0.984 89 T HN 0.197 nan 8.240 nan 0.000 0.537 90 A N 1.182 124.085 122.820 0.138 0.000 2.477 90 A HA 0.583 4.903 4.320 -0.000 0.000 0.246 90 A C 0.331 178.020 177.584 0.175 0.000 1.078 90 A CA -0.409 51.705 52.037 0.128 0.000 0.770 90 A CB 0.244 19.288 19.000 0.073 0.000 1.011 90 A HN 0.342 nan 8.150 nan 0.000 0.494 94 S N 0.094 115.734 115.700 -0.100 0.000 2.730 94 S HA 0.555 5.025 4.470 -0.000 0.000 0.244 94 S C 0.555 175.059 174.600 -0.159 0.000 1.022 94 S CA 0.202 58.334 58.200 -0.112 0.000 1.014 94 S CB -0.534 62.617 63.200 -0.080 0.000 0.963 94 S HN 1.195 nan 8.310 nan 0.000 0.540 95 I N -2.729 117.744 120.570 -0.162 0.000 3.108 95 I HA 0.695 4.865 4.170 -0.000 0.000 0.312 95 I C -1.077 174.923 176.117 -0.195 0.000 1.095 95 I CA -1.815 59.371 61.300 -0.190 0.000 1.000 95 I CB 0.818 38.774 38.000 -0.073 0.000 1.229 95 I HN -0.152 nan 8.210 nan 0.000 0.454 96 Y N 1.789 122.093 120.300 0.008 0.000 2.526 96 Y HA 0.037 4.587 4.550 0.000 0.000 0.330 96 Y C 1.682 177.610 175.900 0.046 0.000 1.156 96 Y CA 0.351 58.461 58.100 0.017 0.000 1.419 96 Y CB 0.639 39.108 38.460 0.014 0.000 1.250 96 Y HN 0.683 nan 8.280 nan 0.000 0.540 97 Q N 2.135 122.057 119.800 0.202 0.000 2.152 97 Q HA -0.276 4.064 4.340 -0.000 0.000 0.206 97 Q C 1.175 177.231 176.000 0.094 0.000 0.985 97 Q CA 1.908 57.773 55.803 0.105 0.000 0.863 97 Q CB -0.227 28.512 28.738 0.000 0.000 0.904 97 Q HN 0.854 nan 8.270 nan 0.000 0.422 98 Y N 0.236 120.515 120.300 -0.035 0.000 2.256 98 Y HA -0.212 4.338 4.550 -0.000 0.000 0.288 98 Y C 1.883 177.766 175.900 -0.029 0.000 1.155 98 Y CA 1.342 59.391 58.100 -0.085 0.000 1.203 98 Y CB -0.041 38.377 38.460 -0.070 0.000 0.980 98 Y HN 0.197 nan 8.280 nan 0.000 0.530 99 I N -1.488 119.197 120.570 0.192 0.000 2.353 99 I HA -0.307 3.863 4.170 -0.000 0.000 0.248 99 I C 2.558 178.748 176.117 0.121 0.000 1.119 99 I CA 1.302 62.684 61.300 0.136 0.000 1.417 99 I CB -0.520 37.557 38.000 0.128 0.000 1.078 99 I HN 0.318 nan 8.210 nan 0.000 0.421 100 H N 0.945 120.027 119.070 0.020 0.000 2.387 100 H HA -0.127 4.429 4.556 -0.000 0.000 0.299 100 H C 2.292 177.662 175.328 0.071 0.000 1.090 100 H CA 1.754 57.833 56.048 0.053 0.000 1.332 100 H CB 0.309 30.108 29.762 0.061 0.000 1.386 100 H HN 0.110 nan 8.280 nan 0.000 0.516 101 V N 1.252 121.067 119.914 -0.166 0.000 2.261 101 V HA -0.278 3.842 4.120 -0.000 0.000 0.246 101 V C 3.041 179.135 176.094 -0.000 0.000 1.047 101 V CA 1.728 63.796 62.300 -0.386 0.000 1.015 101 V CB -1.181 30.173 31.823 -0.781 0.000 0.642 101 V HN 0.579 nan 8.190 nan 0.000 0.446 102 A N -0.634 122.166 122.820 -0.034 0.000 1.877 102 A HA -0.239 4.081 4.320 -0.000 0.000 0.216 102 A C 2.124 179.695 177.584 -0.020 0.000 1.186 102 A CA 2.056 54.087 52.037 -0.010 0.000 0.620 102 A CB -0.763 18.254 19.000 0.028 0.000 0.822 102 A HN 0.498 nan 8.150 nan 0.000 0.443 103 F N 0.830 120.705 119.950 -0.125 0.000 2.069 103 F HA -0.236 4.291 4.527 -0.000 0.000 0.298 103 F C 2.586 178.253 175.800 -0.222 0.000 1.113 103 F CA 2.354 60.266 58.000 -0.147 0.000 1.214 103 F CB -0.465 38.417 39.000 -0.196 0.000 0.978 103 F HN 0.325 nan 8.300 nan 0.000 0.474 104 Q N -0.394 119.240 119.800 -0.277 0.000 2.124 104 Q HA -0.116 4.224 4.340 -0.000 0.000 0.202 104 Q C 2.503 178.049 176.000 -0.756 0.000 0.977 104 Q CA 1.206 56.748 55.803 -0.435 0.000 0.850 104 Q CB -0.796 27.938 28.738 -0.007 0.000 0.901 104 Q HN 0.599 nan 8.270 nan 0.000 0.429 105 G N 1.139 109.403 108.800 -0.892 0.000 2.422 105 G HA2 -0.294 3.666 3.960 -0.000 0.000 0.218 105 G HA3 -0.294 3.666 3.960 -0.000 0.000 0.218 105 G C 1.623 176.062 174.900 -0.768 0.000 1.146 105 G CA 1.165 45.347 45.100 -1.530 0.000 0.769 105 G HN 0.479 nan 8.290 nan 0.000 0.547 106 S N 0.303 115.749 115.700 -0.423 0.000 2.399 106 S HA -0.051 4.419 4.470 -0.000 0.000 0.231 106 S C 2.064 176.511 174.600 -0.254 0.000 1.022 106 S CA 1.012 59.063 58.200 -0.247 0.000 0.983 106 S CB -0.501 62.599 63.200 -0.167 0.000 0.803 106 S HN 0.162 nan 8.310 nan 0.000 0.480 107 F N 2.607 122.232 119.950 -0.543 0.000 2.146 107 F HA 0.179 4.706 4.527 -0.000 0.000 0.298 107 F C 2.872 178.462 175.800 -0.349 0.000 1.096 107 F CA 0.327 58.114 58.000 -0.356 0.000 1.275 107 F CB -1.111 37.686 39.000 -0.337 0.000 1.008 107 F HN 0.311 nan 8.300 nan 0.000 0.480 108 A N -0.984 121.529 122.820 -0.513 0.000 1.902 108 A HA -0.208 4.112 4.320 -0.000 0.000 0.217 108 A C 2.364 179.654 177.584 -0.491 0.000 1.181 108 A CA 1.841 53.293 52.037 -0.975 0.000 0.623 108 A CB -1.494 16.886 19.000 -1.034 0.000 0.818 108 A HN 0.473 nan 8.150 nan 0.000 0.443 109 C N -1.248 117.859 119.300 -0.322 0.000 2.432 109 C HA -0.094 4.366 4.460 -0.000 0.000 0.277 109 C C 2.474 177.447 174.990 -0.029 0.000 1.249 109 C CA 1.102 60.065 59.018 -0.092 0.000 1.725 109 C CB -1.264 26.520 27.740 0.074 0.000 2.028 109 C HN 0.703 nan 8.230 nan 0.000 0.477 110 I N 1.138 121.648 120.570 -0.101 0.000 2.394 110 I HA -0.135 4.035 4.170 -0.000 0.000 0.251 110 I C 2.292 178.356 176.117 -0.089 0.000 1.136 110 I CA 1.808 63.030 61.300 -0.130 0.000 1.425 110 I CB -0.677 37.161 38.000 -0.270 0.000 1.079 110 I HN 0.277 nan 8.210 nan 0.000 0.425 111 T N -0.127 114.395 114.554 -0.054 0.000 2.708 111 T HA -0.137 4.213 4.350 -0.000 0.000 0.266 111 T C 2.020 176.763 174.700 0.073 0.000 1.037 111 T CA 1.897 64.037 62.100 0.067 0.000 1.146 111 T CB -0.487 68.523 68.868 0.236 0.000 0.865 111 T HN 0.206 nan 8.240 nan 0.000 0.435 112 V N 1.377 121.325 119.914 0.056 0.000 2.427 112 V HA -0.082 4.038 4.120 -0.000 0.000 0.248 112 V C 2.847 178.969 176.094 0.046 0.000 1.051 112 V CA 1.873 64.210 62.300 0.063 0.000 1.048 112 V CB -1.319 30.547 31.823 0.072 0.000 0.666 112 V HN 0.611 nan 8.190 nan 0.000 0.456 113 G N -0.186 108.642 108.800 0.047 0.000 2.440 113 G HA2 -0.225 3.735 3.960 -0.000 0.000 0.218 113 G HA3 -0.225 3.735 3.960 -0.000 0.000 0.218 113 G C 1.583 176.553 174.900 0.115 0.000 1.154 113 G CA 0.913 46.051 45.100 0.063 0.000 0.767 113 G HN 0.470 nan 8.290 nan 0.000 0.552 114 L N -0.058 121.224 121.223 0.099 0.000 2.079 114 L HA -0.075 4.265 4.340 -0.000 0.000 0.210 114 L C 2.821 179.883 176.870 0.320 0.000 1.081 114 L CA 0.831 55.788 54.840 0.195 0.000 0.752 114 L CB -0.313 41.752 42.059 0.010 0.000 0.896 114 L HN 0.253 nan 8.230 nan 0.000 0.433 115 I N -1.455 119.225 120.570 0.184 0.000 2.206 115 I HA -0.190 3.980 4.170 -0.000 0.000 0.239 115 I C 2.398 178.556 176.117 0.068 0.000 1.078 115 I CA 0.725 62.127 61.300 0.169 0.000 1.367 115 I CB -0.314 37.630 38.000 -0.094 0.000 1.078 115 I HN -0.065 nan 8.210 nan 0.000 0.413 116 V N 1.365 121.279 119.914 0.000 0.000 2.343 116 V HA -0.208 3.912 4.120 -0.000 0.000 0.247 116 V C 2.621 178.608 176.094 -0.178 0.000 1.051 116 V CA 2.164 64.426 62.300 -0.062 0.000 1.036 116 V CB -1.520 30.285 31.823 -0.031 0.000 0.654 116 V HN 0.598 nan 8.190 nan 0.000 0.451 117 G N -0.460 108.201 108.800 -0.232 0.000 2.450 117 G HA2 -0.199 3.761 3.960 -0.000 0.000 0.220 117 G HA3 -0.199 3.761 3.960 -0.000 0.000 0.220 117 G C 1.663 175.860 174.900 -1.172 0.000 1.130 117 G CA 1.129 45.939 45.100 -0.483 0.000 0.760 117 G HN 0.627 nan 8.290 nan 0.000 0.557 118 A N -0.050 122.007 122.820 -1.272 0.000 1.935 118 A HA 0.373 4.693 4.320 -0.000 0.000 0.214 118 A C 2.271 179.665 177.584 -0.317 0.000 1.178 118 A CA 0.661 52.145 52.037 -0.921 0.000 0.640 118 A CB -0.100 18.463 19.000 -0.728 0.000 0.825 118 A HN 0.317 nan 8.150 nan 0.000 0.447 119 L N -1.122 119.997 121.223 -0.174 0.000 2.416 119 L HA 0.106 4.446 4.340 -0.000 0.000 0.216 119 L C 2.835 179.633 176.870 -0.121 0.000 1.098 119 L CA 0.539 55.316 54.840 -0.105 0.000 0.840 119 L CB -0.456 41.553 42.059 -0.084 0.000 0.981 119 L HN 0.376 nan 8.230 nan 0.000 0.462 120 A N 1.887 124.621 122.820 -0.143 0.000 1.909 120 A HA -0.319 4.001 4.320 -0.000 0.000 0.221 120 A C 2.187 179.722 177.584 -0.081 0.000 1.223 120 A CA 2.522 54.487 52.037 -0.119 0.000 0.658 120 A CB -0.717 18.209 19.000 -0.123 0.000 0.831 120 A HN 0.674 nan 8.150 nan 0.000 0.462 121 E N 0.120 120.275 120.200 -0.076 0.000 2.267 121 E HA -0.251 4.099 4.350 -0.000 0.000 0.197 121 E C 1.784 178.357 176.600 -0.044 0.000 0.998 121 E CA 1.364 57.736 56.400 -0.046 0.000 0.830 121 E CB -0.280 29.397 29.700 -0.040 0.000 0.751 121 E HN 0.844 nan 8.360 nan 0.000 0.491 122 R N 0.461 120.925 120.500 -0.060 0.000 2.365 122 R HA 0.355 4.695 4.340 -0.000 0.000 0.223 122 R C 0.775 177.036 176.300 -0.065 0.000 0.899 122 R CA -0.256 55.807 56.100 -0.063 0.000 1.059 122 R CB 0.140 30.395 30.300 -0.076 0.000 1.086 122 R HN 0.209 nan 8.270 nan 0.000 0.522 123 I N 1.568 122.101 120.570 -0.061 0.000 2.493 123 I HA 0.365 4.535 4.170 -0.000 0.000 0.298 123 I C -0.405 175.705 176.117 -0.012 0.000 0.998 123 I CA -1.428 59.844 61.300 -0.047 0.000 1.137 123 I CB 1.879 39.844 38.000 -0.058 0.000 1.310 123 I HN 0.113 nan 8.210 nan 0.000 0.445 124 R N 4.363 124.873 120.500 0.017 0.000 2.679 124 R HA 0.011 4.351 4.340 -0.000 0.000 0.268 124 R C 0.456 176.816 176.300 0.100 0.000 1.044 124 R CA 0.123 56.263 56.100 0.067 0.000 1.105 124 R CB 0.433 30.774 30.300 0.067 0.000 0.989 124 R HN 0.622 nan 8.270 nan 0.000 0.447 125 F N 5.716 125.678 119.950 0.020 0.000 2.043 125 F HA -0.144 4.383 4.527 0.000 0.000 0.297 125 F C -0.611 175.214 175.800 0.042 0.000 1.121 125 F CA 1.648 59.665 58.000 0.030 0.000 1.199 125 F CB -0.708 38.307 39.000 0.025 0.000 0.968 125 F HN 0.524 nan 8.300 nan 0.000 0.478 126 P HA -0.169 nan 4.420 nan 0.000 0.219 126 P C 1.275 178.664 177.300 0.149 0.000 1.146 126 P CA 2.171 65.422 63.100 0.253 0.000 0.808 126 P CB -0.396 31.406 31.700 0.170 0.000 0.779 127 A N 0.074 122.964 122.820 0.115 0.000 1.930 127 A HA -0.088 4.232 4.320 -0.000 0.000 0.217 127 A C 2.474 180.123 177.584 0.108 0.000 1.175 127 A CA 1.489 53.585 52.037 0.097 0.000 0.627 127 A CB -1.621 17.425 19.000 0.076 0.000 0.815 127 A HN 0.141 nan 8.150 nan 0.000 0.443 128 V N 0.131 120.076 119.914 0.052 0.000 2.515 128 V HA -0.173 3.947 4.120 -0.000 0.000 0.250 128 V C 2.348 178.495 176.094 0.089 0.000 1.058 128 V CA 1.855 64.187 62.300 0.053 0.000 1.064 128 V CB -0.433 31.332 31.823 -0.097 0.000 0.675 128 V HN 0.588 nan 8.190 nan 0.000 0.461 129 L N -0.604 120.649 121.223 0.048 0.000 2.046 129 L HA -0.183 4.157 4.340 -0.000 0.000 0.208 129 L C 2.378 179.303 176.870 0.091 0.000 1.077 129 L CA 1.976 56.860 54.840 0.075 0.000 0.747 129 L CB -0.532 41.601 42.059 0.123 0.000 0.896 129 L HN 0.283 nan 8.230 nan 0.000 0.432 130 I N -1.019 119.613 120.570 0.104 0.000 2.252 130 I HA -0.311 3.859 4.170 -0.000 0.000 0.245 130 I C 2.504 178.669 176.117 0.081 0.000 1.102 130 I CA 1.267 62.619 61.300 0.087 0.000 1.385 130 I CB -0.302 37.750 38.000 0.088 0.000 1.064 130 I HN 0.138 nan 8.210 nan 0.000 0.414 131 F N 1.477 121.413 119.950 -0.024 0.000 2.102 131 F HA -0.208 4.319 4.527 -0.000 0.000 0.298 131 F C 2.362 178.166 175.800 0.007 0.000 1.105 131 F CA 1.611 59.558 58.000 -0.088 0.000 1.239 131 F CB -0.525 38.356 39.000 -0.198 0.000 0.991 131 F HN -0.234 nan 8.300 nan 0.000 0.474 132 V N -0.119 119.773 119.914 -0.036 0.000 2.287 132 V HA -0.338 3.782 4.120 -0.000 0.000 0.248 132 V C 2.457 178.535 176.094 -0.026 0.000 1.053 132 V CA 1.819 64.098 62.300 -0.035 0.000 1.027 132 V CB -0.965 30.898 31.823 0.065 0.000 0.646 132 V HN 0.302 nan 8.190 nan 0.000 0.447 133 V N -0.348 119.570 119.914 0.006 0.000 2.255 133 V HA -0.261 3.859 4.120 -0.000 0.000 0.247 133 V C 2.390 178.490 176.094 0.010 0.000 1.051 133 V CA 2.223 64.549 62.300 0.043 0.000 1.018 133 V CB -0.552 31.306 31.823 0.059 0.000 0.641 133 V HN 0.403 nan 8.190 nan 0.000 0.445 134 V N -1.491 118.388 119.914 -0.059 0.000 2.261 134 V HA -0.283 3.837 4.120 -0.000 0.000 0.246 134 V C 1.988 178.016 176.094 -0.109 0.000 1.047 134 V CA 2.461 64.712 62.300 -0.082 0.000 1.015 134 V CB -0.743 31.025 31.823 -0.093 0.000 0.642 134 V HN 0.774 nan 8.190 nan 0.000 0.446 135 W N 0.216 121.232 121.300 -0.474 0.000 2.388 135 W HA -0.156 4.504 4.660 -0.000 0.000 0.294 135 W C 2.180 178.623 176.519 -0.127 0.000 1.212 135 W CA 1.729 58.816 57.345 -0.431 0.000 1.271 135 W CB -0.220 28.652 29.460 -0.980 0.000 1.126 135 W HN 0.211 nan 8.180 nan 0.000 0.535 136 L N 0.306 121.543 121.223 0.023 0.000 2.027 136 L HA -0.156 4.184 4.340 -0.000 0.000 0.206 136 L C 2.325 179.216 176.870 0.035 0.000 1.074 136 L CA 2.759 57.622 54.840 0.037 0.000 0.745 136 L CB -1.248 40.886 42.059 0.125 0.000 0.898 136 L HN -0.116 nan 8.230 nan 0.000 0.433 137 T N -0.142 114.453 114.554 0.069 0.000 2.777 137 T HA -0.104 4.246 4.350 -0.000 0.000 0.266 137 T C 1.775 176.482 174.700 0.012 0.000 1.040 137 T CA 1.871 64.041 62.100 0.117 0.000 1.141 137 T CB -0.205 68.725 68.868 0.103 0.000 0.868 137 T HN 0.291 nan 8.240 nan 0.000 0.444 138 L N -0.158 121.037 121.223 -0.048 0.000 2.554 138 L HA 0.283 4.623 4.340 -0.000 0.000 0.225 138 L C 2.387 179.330 176.870 0.123 0.000 1.104 138 L CA 0.369 55.213 54.840 0.006 0.000 0.866 138 L CB -0.033 42.007 42.059 -0.032 0.000 1.047 138 L HN 0.222 nan 8.230 nan 0.000 0.468 139 S N -1.224 114.353 115.700 -0.204 0.000 2.979 139 S HA -0.024 4.446 4.470 -0.000 0.000 0.243 139 S C 1.779 176.042 174.600 -0.560 0.000 1.036 139 S CA -0.118 57.889 58.200 -0.322 0.000 0.846 139 S CB -0.171 62.509 63.200 -0.867 0.000 0.806 139 S HN 0.314 nan 8.310 nan 0.000 0.568 140 Y N 2.552 122.322 120.300 -0.884 0.000 2.114 140 Y HA -0.005 4.545 4.550 -0.000 0.000 0.284 140 Y C 1.976 177.757 175.900 -0.199 0.000 1.143 140 Y CA 2.053 59.826 58.100 -0.545 0.000 1.135 140 Y CB -0.393 37.807 38.460 -0.434 0.000 0.980 140 Y HN 0.289 nan 8.280 nan 0.000 0.499 141 I N 0.138 120.734 120.570 0.043 0.000 2.127 141 I HA -0.273 3.897 4.170 -0.000 0.000 0.241 141 I C -0.656 175.434 176.117 -0.046 0.000 1.075 141 I CA 1.517 62.885 61.300 0.114 0.000 1.334 141 I CB -1.625 36.481 38.000 0.177 0.000 1.040 141 I HN 0.228 nan 8.210 nan 0.000 0.405 142 P HA -0.148 nan 4.420 nan 0.000 0.215 142 P C 1.897 178.961 177.300 -0.394 0.000 1.157 142 P CA 1.589 64.578 63.100 -0.185 0.000 0.868 142 P CB 0.003 31.579 31.700 -0.205 0.000 0.788 143 I N -0.768 119.443 120.570 -0.598 0.000 2.226 143 I HA -0.261 3.909 4.170 -0.000 0.000 0.245 143 I C 2.304 178.089 176.117 -0.552 0.000 1.100 143 I CA 1.493 62.422 61.300 -0.618 0.000 1.374 143 I CB -0.826 36.814 38.000 -0.600 0.000 1.057 143 I HN -0.082 nan 8.210 nan 0.000 0.413 144 A N -0.146 122.337 122.820 -0.561 0.000 1.902 144 A HA -0.197 4.123 4.320 -0.000 0.000 0.217 144 A C 1.667 179.129 177.584 -0.203 0.000 1.181 144 A CA 1.129 52.895 52.037 -0.451 0.000 0.623 144 A CB -0.820 18.027 19.000 -0.256 0.000 0.818 144 A HN 0.450 nan 8.150 nan 0.000 0.443 148 W N 1.291 122.492 121.300 -0.164 0.000 2.998 148 W HA 0.596 5.256 4.660 -0.000 0.000 0.336 148 W C 1.676 178.092 176.519 -0.170 0.000 1.112 148 W CA 0.575 57.837 57.345 -0.138 0.000 1.682 148 W CB 0.109 29.495 29.460 -0.124 0.000 1.065 148 W HN 0.404 nan 8.180 nan 0.000 0.570 149 G N -0.158 108.555 108.800 -0.145 0.000 3.523 149 G HA2 0.354 4.314 3.960 -0.000 0.000 0.270 149 G HA3 0.354 4.314 3.960 -0.000 0.000 0.270 149 G C 1.219 175.773 174.900 -0.575 0.000 1.134 149 G CA 0.183 45.034 45.100 -0.415 0.000 0.825 149 G HN 0.249 nan 8.290 nan 0.000 0.534 150 G N -0.743 107.877 108.800 -0.299 0.000 2.160 150 G HA2 -0.041 3.919 3.960 -0.000 0.000 0.251 150 G HA3 -0.041 3.919 3.960 -0.000 0.000 0.251 150 G C 0.844 175.598 174.900 -0.244 0.000 1.008 150 G CA 0.392 45.366 45.100 -0.210 0.000 0.724 150 G HN 0.963 nan 8.290 nan 0.000 0.514 151 G N -1.141 107.460 108.800 -0.331 0.000 2.504 151 G HA2 0.550 4.510 3.960 -0.000 0.000 0.257 151 G HA3 0.550 4.510 3.960 -0.000 0.000 0.257 151 G C 1.339 176.082 174.900 -0.261 0.000 1.451 151 G CA 0.138 45.111 45.100 -0.212 0.000 1.059 151 G HN 0.887 nan 8.290 nan 0.000 0.550 152 L N -0.354 120.633 121.223 -0.393 0.000 1.963 152 L HA -0.160 4.180 4.340 -0.000 0.000 0.220 152 L C 2.869 179.418 176.870 -0.535 0.000 1.076 152 L CA 1.899 56.436 54.840 -0.506 0.000 0.772 152 L CB -0.626 41.044 42.059 -0.648 0.000 0.892 152 L HN 0.493 nan 8.230 nan 0.000 0.435 153 L N -0.884 120.081 121.223 -0.431 0.000 2.079 153 L HA -0.217 4.123 4.340 -0.000 0.000 0.210 153 L C 2.653 179.419 176.870 -0.173 0.000 1.081 153 L CA 1.214 55.862 54.840 -0.320 0.000 0.752 153 L CB -1.139 40.769 42.059 -0.252 0.000 0.896 153 L HN 0.459 nan 8.230 nan 0.000 0.433 154 A N 0.476 123.201 122.820 -0.158 0.000 1.930 154 A HA -0.188 4.132 4.320 -0.000 0.000 0.217 154 A C 2.555 180.136 177.584 -0.005 0.000 1.175 154 A CA 1.783 53.782 52.037 -0.063 0.000 0.627 154 A CB -0.616 18.338 19.000 -0.076 0.000 0.815 154 A HN 0.520 nan 8.150 nan 0.000 0.443 155 S N -0.635 115.058 115.700 -0.013 0.000 2.419 155 S HA -0.192 4.278 4.470 -0.000 0.000 0.233 155 S C 1.563 176.306 174.600 0.238 0.000 1.016 155 S CA 1.487 59.743 58.200 0.092 0.000 0.974 155 S CB -0.680 62.576 63.200 0.094 0.000 0.786 155 S HN 0.648 nan 8.310 nan 0.000 0.492 156 H N 1.330 120.384 119.070 -0.026 0.000 2.539 156 H HA 0.403 4.959 4.556 -0.000 0.000 0.267 156 H C 1.713 177.057 175.328 0.027 0.000 0.982 156 H CA -0.416 55.635 56.048 0.004 0.000 1.146 156 H CB -0.369 29.382 29.762 -0.019 0.000 1.382 156 H HN 0.593 nan 8.280 nan 0.000 0.577 157 G N 0.073 108.954 108.800 0.135 0.000 2.137 157 G HA2 -0.213 3.747 3.960 -0.000 0.000 0.237 157 G HA3 -0.213 3.747 3.960 -0.000 0.000 0.237 157 G C 0.452 175.389 174.900 0.062 0.000 1.002 157 G CA 0.128 45.284 45.100 0.094 0.000 0.702 157 G HN 0.713 nan 8.290 nan 0.000 0.515 158 A N -0.064 122.783 122.820 0.046 0.000 2.520 158 A HA 0.560 4.880 4.320 -0.000 0.000 0.245 158 A C 0.715 178.329 177.584 0.050 0.000 1.072 158 A CA 0.333 52.386 52.037 0.027 0.000 0.761 158 A CB 0.242 19.236 19.000 -0.011 0.000 1.004 158 A HN 0.953 nan 8.150 nan 0.000 0.499 159 L N 2.981 124.237 121.223 0.054 0.000 2.257 159 L HA 0.404 4.744 4.340 -0.000 0.000 0.290 159 L C -0.350 176.684 176.870 0.274 0.000 1.044 159 L CA -0.189 54.687 54.840 0.060 0.000 0.810 159 L CB 0.971 42.964 42.059 -0.111 0.000 1.193 159 L HN 0.723 nan 8.230 nan 0.000 0.425 160 D N 2.433 123.115 120.400 0.470 0.000 2.445 160 D HA 0.057 4.697 4.640 -0.000 0.000 0.236 160 D C 0.262 176.969 176.300 0.677 0.000 1.315 160 D CA -0.438 53.859 54.000 0.496 0.000 0.924 160 D CB 0.635 41.588 40.800 0.254 0.000 1.447 160 D HN 0.269 nan 8.370 nan 0.000 0.532 161 F N 2.869 123.154 119.950 0.558 0.000 2.069 161 F HA -0.033 4.494 4.527 0.000 0.000 0.298 161 F C 1.791 177.810 175.800 0.364 0.000 1.113 161 F CA 2.203 60.378 58.000 0.292 0.000 1.214 161 F CB 0.415 39.384 39.000 -0.052 0.000 0.978 161 F HN 0.429 nan 8.300 nan 0.000 0.474 162 A N -1.646 121.548 122.820 0.623 0.000 2.571 162 A HA 0.563 4.883 4.320 -0.000 0.000 0.274 162 A C 0.979 179.102 177.584 0.899 0.000 1.196 162 A CA 0.426 52.807 52.037 0.574 0.000 0.957 162 A CB -0.269 19.111 19.000 0.633 0.000 1.150 162 A HN 0.880 nan 8.150 nan 0.000 0.539 163 G N -1.351 107.997 108.800 0.913 0.000 2.157 163 G HA2 0.007 3.967 3.960 -0.000 0.000 0.118 163 G HA3 0.007 3.967 3.960 -0.000 0.000 0.118 163 G C 1.078 176.259 174.900 0.468 0.000 1.032 163 G CA 0.289 45.776 45.100 0.645 0.000 0.697 163 G HN 1.122 nan 8.290 nan 0.000 0.495 164 G N 0.328 109.433 108.800 0.508 0.000 2.469 164 G HA2 -0.008 3.952 3.960 -0.000 0.000 0.220 164 G HA3 -0.008 3.952 3.960 -0.000 0.000 0.220 164 G C 1.814 176.917 174.900 0.338 0.000 1.136 164 G CA 2.732 48.133 45.100 0.501 0.000 0.759 164 G HN 1.429 nan 8.290 nan 0.000 0.562 165 T N -1.718 112.940 114.554 0.173 0.000 2.904 165 T HA 0.046 4.396 4.350 -0.000 0.000 0.243 165 T C 2.298 176.997 174.700 -0.002 0.000 1.024 165 T CA 1.017 63.161 62.100 0.074 0.000 1.158 165 T CB -0.555 68.297 68.868 -0.026 0.000 0.867 165 T HN -0.024 nan 8.240 nan 0.000 0.429 166 V N 1.848 121.646 119.914 -0.194 0.000 2.317 166 V HA -0.156 3.964 4.120 -0.000 0.000 0.251 166 V C 2.753 178.852 176.094 0.009 0.000 1.065 166 V CA 1.857 63.962 62.300 -0.324 0.000 1.049 166 V CB -0.833 30.512 31.823 -0.796 0.000 0.651 166 V HN 0.430 nan 8.190 nan 0.000 0.450 167 V N -1.414 118.576 119.914 0.127 0.000 2.502 167 V HA -0.019 4.101 4.120 -0.000 0.000 0.234 167 V C 2.304 178.444 176.094 0.078 0.000 1.072 167 V CA 1.190 63.579 62.300 0.147 0.000 1.094 167 V CB -0.752 31.083 31.823 0.019 0.000 0.761 167 V HN 0.487 nan 8.190 nan 0.000 0.489 168 H N 0.222 119.517 119.070 0.375 0.000 2.276 168 H HA 0.016 4.572 4.556 -0.000 0.000 0.301 168 H C 2.355 177.885 175.328 0.338 0.000 1.073 168 H CA 2.007 58.293 56.048 0.396 0.000 1.311 168 H CB -0.352 29.692 29.762 0.470 0.000 1.379 168 H HN 0.296 nan 8.280 nan 0.000 0.494 169 I N 1.060 121.868 120.570 0.397 0.000 2.226 169 I HA -0.264 3.906 4.170 -0.000 0.000 0.245 169 I C 2.555 178.841 176.117 0.282 0.000 1.100 169 I CA 1.040 62.523 61.300 0.305 0.000 1.374 169 I CB -0.314 37.830 38.000 0.239 0.000 1.057 169 I HN 0.167 nan 8.210 nan 0.000 0.413 170 N N 1.442 120.316 118.700 0.290 0.000 2.036 170 N HA -0.205 4.534 4.740 -0.000 0.000 0.195 170 N C 1.821 177.622 175.510 0.485 0.000 1.037 170 N CA 2.246 55.535 53.050 0.399 0.000 0.855 170 N CB -0.214 38.496 38.487 0.373 0.000 1.033 170 N HN 0.370 nan 8.380 nan 0.000 0.423 171 A N 0.285 123.318 122.820 0.356 0.000 1.898 171 A HA 0.143 4.463 4.320 -0.000 0.000 0.216 171 A C 2.390 179.931 177.584 -0.072 0.000 1.181 171 A CA 1.912 54.001 52.037 0.086 0.000 0.620 171 A CB -1.064 18.001 19.000 0.108 0.000 0.819 171 A HN 0.429 nan 8.150 nan 0.000 0.442 172 A N 0.226 123.120 122.820 0.124 0.000 1.883 172 A HA -0.124 4.196 4.320 -0.000 0.000 0.217 172 A C 2.016 179.547 177.584 -0.090 0.000 1.186 172 A CA 1.793 53.900 52.037 0.117 0.000 0.624 172 A CB -0.527 18.677 19.000 0.339 0.000 0.822 172 A HN 0.402 nan 8.150 nan 0.000 0.444 173 I N -0.111 120.489 120.570 0.051 0.000 2.179 173 I HA -0.218 3.952 4.170 -0.000 0.000 0.242 173 I C 2.965 179.083 176.117 0.001 0.000 1.088 173 I CA 1.443 62.785 61.300 0.070 0.000 1.357 173 I CB -1.676 36.434 38.000 0.182 0.000 1.051 173 I HN 0.366 nan 8.210 nan 0.000 0.409 174 A N 0.812 123.622 122.820 -0.017 0.000 1.978 174 A HA -0.104 4.216 4.320 -0.000 0.000 0.220 174 A C 2.478 179.908 177.584 -0.257 0.000 1.170 174 A CA 1.882 53.872 52.037 -0.079 0.000 0.636 174 A CB -1.247 17.442 19.000 -0.520 0.000 0.810 174 A HN 0.450 nan 8.150 nan 0.000 0.448 175 G N -0.396 107.960 108.800 -0.739 0.000 2.394 175 G HA2 -0.061 3.899 3.960 -0.000 0.000 0.215 175 G HA3 -0.061 3.899 3.960 -0.000 0.000 0.215 175 G C 1.529 176.015 174.900 -0.689 0.000 1.165 175 G CA 0.855 45.139 45.100 -1.360 0.000 0.784 175 G HN 0.423 nan 8.290 nan 0.000 0.535 176 L N 0.386 121.350 121.223 -0.433 0.000 2.093 176 L HA -0.059 4.281 4.340 -0.000 0.000 0.208 176 L C 2.946 179.825 176.870 0.015 0.000 1.085 176 L CA 0.318 55.137 54.840 -0.034 0.000 0.755 176 L CB -0.402 41.684 42.059 0.044 0.000 0.904 176 L HN 0.072 nan 8.230 nan 0.000 0.435 177 V N 0.195 120.118 119.914 0.016 0.000 2.343 177 V HA -0.196 3.924 4.120 -0.000 0.000 0.247 177 V C 2.639 178.684 176.094 -0.081 0.000 1.051 177 V CA 1.976 64.346 62.300 0.116 0.000 1.036 177 V CB -1.226 30.760 31.823 0.272 0.000 0.654 177 V HN 0.562 nan 8.190 nan 0.000 0.451 178 G N -0.239 108.355 108.800 -0.343 0.000 2.440 178 G HA2 -0.233 3.727 3.960 -0.000 0.000 0.218 178 G HA3 -0.233 3.727 3.960 -0.000 0.000 0.218 178 G C 1.742 176.391 174.900 -0.417 0.000 1.154 178 G CA 1.035 45.597 45.100 -0.896 0.000 0.767 178 G HN 0.614 nan 8.290 nan 0.000 0.552 179 A N -0.448 122.287 122.820 -0.141 0.000 2.015 179 A HA 0.020 4.340 4.320 -0.000 0.000 0.219 179 A C 2.170 179.753 177.584 -0.001 0.000 1.163 179 A CA 1.649 53.672 52.037 -0.023 0.000 0.646 179 A CB -0.496 18.572 19.000 0.113 0.000 0.806 179 A HN 0.508 nan 8.150 nan 0.000 0.448 180 Y N 0.247 120.489 120.300 -0.096 0.000 2.243 180 Y HA 0.019 4.569 4.550 0.000 0.000 0.293 180 Y C 1.828 177.682 175.900 -0.077 0.000 1.124 180 Y CA 1.529 59.597 58.100 -0.054 0.000 1.159 180 Y CB -0.165 38.289 38.460 -0.010 0.000 1.008 180 Y HN 0.186 nan 8.280 nan 0.000 0.527 181 L N 0.062 121.165 121.223 -0.201 0.000 2.179 181 L HA 0.014 4.354 4.340 -0.000 0.000 0.208 181 L C 0.244 176.941 176.870 -0.289 0.000 1.096 181 L CA 0.567 55.236 54.840 -0.286 0.000 0.779 181 L CB -0.136 41.779 42.059 -0.240 0.000 0.922 181 L HN 0.036 nan 8.230 nan 0.000 0.443 182 I N 0.489 120.883 120.570 -0.293 0.000 2.328 182 I HA 0.264 4.434 4.170 -0.000 0.000 0.287 182 I C 0.723 176.741 176.117 -0.166 0.000 1.012 182 I CA -0.466 60.697 61.300 -0.228 0.000 1.195 182 I CB 1.176 39.024 38.000 -0.253 0.000 1.350 182 I HN -0.090 nan 8.210 nan 0.000 0.464 183 G N 5.236 113.952 108.800 -0.139 0.000 2.572 183 G HA2 0.348 4.308 3.960 -0.000 0.000 0.261 183 G HA3 0.348 4.308 3.960 -0.000 0.000 0.261 183 G C -0.693 174.156 174.900 -0.084 0.000 1.197 183 G CA -0.394 44.643 45.100 -0.106 0.000 0.870 183 G HN 0.629 nan 8.290 nan 0.000 0.548 184 K N -0.002 120.358 120.400 -0.068 0.000 2.535 184 K HA 0.338 4.658 4.320 -0.000 0.000 0.250 184 K C -0.582 175.983 176.600 -0.058 0.000 0.948 184 K CA -0.820 55.431 56.287 -0.060 0.000 0.796 184 K CB 1.805 34.274 32.500 -0.051 0.000 1.216 184 K HN 0.556 nan 8.250 nan 0.000 0.432 185 R N 3.755 124.216 120.500 -0.065 0.000 2.248 185 R HA 0.222 4.562 4.340 -0.000 0.000 0.328 185 R C -1.084 175.164 176.300 -0.088 0.000 1.067 185 R CA -0.411 55.643 56.100 -0.077 0.000 0.924 185 R CB 0.838 31.082 30.300 -0.093 0.000 1.013 185 R HN 0.286 nan 8.270 nan 0.000 0.454 186 V N 5.423 125.288 119.914 -0.081 0.000 2.368 186 V HA 0.274 4.394 4.120 -0.000 0.000 0.266 186 V C 1.128 177.144 176.094 -0.131 0.000 1.045 186 V CA -0.297 61.956 62.300 -0.078 0.000 0.899 186 V CB 0.970 32.766 31.823 -0.044 0.000 1.006 186 V HN 0.983 nan 8.190 nan 0.000 0.470 187 G N 3.958 112.661 108.800 -0.162 0.000 2.664 187 G HA2 0.307 4.267 3.960 -0.000 0.000 0.242 187 G HA3 0.307 4.267 3.960 -0.000 0.000 0.242 187 G C -0.396 174.415 174.900 -0.150 0.000 1.225 187 G CA -0.383 44.548 45.100 -0.282 0.000 0.849 187 G HN 0.432 nan 8.290 nan 0.000 0.581 188 F N 0.397 120.334 119.950 -0.022 0.000 2.529 188 F HA 0.415 4.942 4.527 -0.000 0.000 0.365 188 F C 1.578 177.364 175.800 -0.023 0.000 1.102 188 F CA 0.204 58.190 58.000 -0.023 0.000 1.271 188 F CB 0.710 39.698 39.000 -0.020 0.000 1.120 188 F HN 0.846 nan 8.300 nan 0.000 0.579 189 G N 1.953 110.854 108.800 0.169 0.000 2.205 189 G HA2 -0.291 3.669 3.960 -0.000 0.000 0.261 189 G HA3 -0.291 3.669 3.960 -0.000 0.000 0.261 189 G C 0.838 175.762 174.900 0.040 0.000 0.980 189 G CA -0.071 45.077 45.100 0.079 0.000 0.632 189 G HN 0.471 nan 8.290 nan 0.000 0.533 190 K N 0.353 120.772 120.400 0.031 0.000 2.576 190 K HA 0.350 4.670 4.320 -0.000 0.000 0.209 190 K C 1.223 177.806 176.600 -0.029 0.000 1.049 190 K CA 0.181 56.468 56.287 -0.001 0.000 1.140 190 K CB 0.752 33.243 32.500 -0.014 0.000 0.871 190 K HN 0.402 nan 8.250 nan 0.000 0.479 191 E N 0.892 121.076 120.200 -0.026 0.000 2.274 191 E HA -0.020 4.330 4.350 -0.000 0.000 0.194 191 E C 0.443 176.958 176.600 -0.142 0.000 0.996 191 E CA 0.469 56.830 56.400 -0.065 0.000 0.840 191 E CB 0.203 29.882 29.700 -0.034 0.000 0.772 191 E HN 0.295 nan 8.360 nan 0.000 0.491 192 A N -0.053 122.693 122.820 -0.123 0.000 2.380 192 A HA 0.577 4.897 4.320 -0.000 0.000 0.315 192 A C -0.843 176.676 177.584 -0.109 0.000 1.101 192 A CA -0.767 51.160 52.037 -0.184 0.000 0.771 192 A CB 0.533 19.481 19.000 -0.087 0.000 1.287 192 A HN 0.096 nan 8.150 nan 0.000 0.436 193 F N 1.202 121.141 119.950 -0.018 0.000 2.607 193 F HA 0.074 4.601 4.527 -0.000 0.000 0.374 193 F C 1.252 177.040 175.800 -0.022 0.000 1.104 193 F CA 0.531 58.513 58.000 -0.030 0.000 1.296 193 F CB 0.671 39.641 39.000 -0.052 0.000 1.085 193 F HN 0.548 nan 8.300 nan 0.000 0.584 194 K N 5.873 126.389 120.400 0.192 0.000 2.378 194 K HA 0.092 4.412 4.320 -0.000 0.000 0.288 194 K C -1.897 174.762 176.600 0.099 0.000 1.057 194 K CA -1.391 54.964 56.287 0.114 0.000 0.971 194 K CB 0.946 33.502 32.500 0.093 0.000 0.975 194 K HN 0.184 nan 8.250 nan 0.000 0.475 195 P HA -0.226 nan 4.420 nan 0.000 0.215 195 P C 0.784 178.105 177.300 0.036 0.000 1.153 195 P CA 1.081 64.208 63.100 0.044 0.000 0.853 195 P CB 0.033 31.754 31.700 0.036 0.000 0.788 196 H N 0.041 119.103 119.070 -0.014 0.000 2.492 196 H HA -0.072 4.484 4.556 0.000 0.000 0.296 196 H C 0.882 176.195 175.328 -0.025 0.000 1.095 196 H CA 1.471 57.507 56.048 -0.019 0.000 1.281 196 H CB -0.454 29.301 29.762 -0.012 0.000 1.374 196 H HN 0.241 nan 8.280 nan 0.000 0.545 197 N N -0.144 118.594 118.700 0.063 0.000 2.280 197 N HA 0.065 4.805 4.740 -0.000 0.000 0.192 197 N C 1.734 177.196 175.510 -0.080 0.000 1.109 197 N CA -0.252 52.801 53.050 0.005 0.000 0.855 197 N CB 0.552 39.062 38.487 0.038 0.000 0.974 197 N HN 0.226 nan 8.380 nan 0.000 0.482 198 L N 0.949 122.118 121.223 -0.090 0.000 2.131 198 L HA -0.002 4.338 4.340 -0.000 0.000 0.210 198 L C -1.384 175.434 176.870 -0.086 0.000 1.092 198 L CA 0.720 55.489 54.840 -0.117 0.000 0.759 198 L CB -1.390 40.610 42.059 -0.099 0.000 0.903 198 L HN 0.020 nan 8.230 nan 0.000 0.435 202 F N 2.919 122.772 119.950 -0.161 0.000 2.102 202 F HA -0.190 4.337 4.527 -0.000 0.000 0.298 202 F C 2.485 178.248 175.800 -0.063 0.000 1.105 202 F CA 2.917 60.853 58.000 -0.107 0.000 1.239 202 F CB -0.389 38.544 39.000 -0.111 0.000 0.991 202 F HN 0.320 nan 8.300 nan 0.000 0.474 203 T N -1.996 112.460 114.554 -0.164 0.000 2.788 203 T HA -0.071 4.279 4.350 -0.000 0.000 0.268 203 T C 2.305 176.859 174.700 -0.243 0.000 1.044 203 T CA 1.210 63.172 62.100 -0.230 0.000 1.139 203 T CB -1.616 67.234 68.868 -0.030 0.000 0.867 203 T HN 0.340 nan 8.240 nan 0.000 0.454 204 G N 1.098 109.814 108.800 -0.139 0.000 2.402 204 G HA2 -0.136 3.824 3.960 -0.000 0.000 0.216 204 G HA3 -0.136 3.824 3.960 -0.000 0.000 0.216 204 G C 1.731 176.574 174.900 -0.095 0.000 1.162 204 G CA 1.287 46.340 45.100 -0.077 0.000 0.777 204 G HN 0.530 nan 8.290 nan 0.000 0.539 205 T N 1.758 116.288 114.554 -0.039 0.000 2.708 205 T HA -0.022 4.328 4.350 -0.000 0.000 0.266 205 T C 2.826 177.387 174.700 -0.232 0.000 1.037 205 T CA 1.582 63.609 62.100 -0.121 0.000 1.146 205 T CB -0.411 68.396 68.868 -0.102 0.000 0.865 205 T HN 0.368 nan 8.240 nan 0.000 0.435 206 A N 1.125 123.699 122.820 -0.411 0.000 1.908 206 A HA -0.048 4.272 4.320 -0.000 0.000 0.218 206 A C 2.303 179.816 177.584 -0.118 0.000 1.181 206 A CA 1.318 53.163 52.037 -0.321 0.000 0.627 206 A CB -0.795 17.882 19.000 -0.538 0.000 0.818 206 A HN 0.536 nan 8.150 nan 0.000 0.445 207 I N -0.591 119.834 120.570 -0.241 0.000 2.315 207 I HA -0.227 3.943 4.170 -0.000 0.000 0.248 207 I C 2.354 178.274 176.117 -0.330 0.000 1.117 207 I CA 0.940 62.001 61.300 -0.400 0.000 1.404 207 I CB -0.308 37.288 38.000 -0.672 0.000 1.071 207 I HN 0.295 nan 8.210 nan 0.000 0.419 208 L N -0.433 120.652 121.223 -0.231 0.000 2.046 208 L HA -0.265 4.075 4.340 -0.000 0.000 0.208 208 L C 2.704 179.624 176.870 0.082 0.000 1.077 208 L CA 1.515 56.276 54.840 -0.132 0.000 0.747 208 L CB -0.766 41.220 42.059 -0.123 0.000 0.896 208 L HN 0.248 nan 8.230 nan 0.000 0.432 209 Y N 0.659 120.919 120.300 -0.065 0.000 2.097 209 Y HA -0.283 4.267 4.550 -0.000 0.000 0.282 209 Y C 2.459 178.370 175.900 0.018 0.000 1.152 209 Y CA 1.564 59.612 58.100 -0.086 0.000 1.136 209 Y CB -0.072 38.315 38.460 -0.123 0.000 0.975 209 Y HN -0.033 nan 8.280 nan 0.000 0.498 210 I N 0.351 120.959 120.570 0.063 0.000 2.179 210 I HA -0.207 3.963 4.170 -0.000 0.000 0.242 210 I C 2.681 178.923 176.117 0.209 0.000 1.088 210 I CA 1.660 63.073 61.300 0.188 0.000 1.357 210 I CB -2.057 36.111 38.000 0.280 0.000 1.051 210 I HN 0.425 nan 8.210 nan 0.000 0.409 211 G N -0.474 108.397 108.800 0.117 0.000 2.443 211 G HA2 -0.255 3.705 3.960 -0.000 0.000 0.219 211 G HA3 -0.255 3.705 3.960 -0.000 0.000 0.219 211 G C 1.547 176.471 174.900 0.040 0.000 1.131 211 G CA -0.049 45.119 45.100 0.114 0.000 0.775 211 G HN 0.363 nan 8.290 nan 0.000 0.547 212 W N 0.656 121.798 121.300 -0.263 0.000 2.387 212 W HA -0.004 4.656 4.660 0.000 0.000 0.272 212 W C 1.730 178.051 176.519 -0.330 0.000 1.224 212 W CA 0.440 57.568 57.345 -0.362 0.000 1.210 212 W CB -0.368 28.748 29.460 -0.573 0.000 1.125 212 W HN 0.267 nan 8.180 nan 0.000 0.572 213 F N 0.030 119.983 119.950 0.004 0.000 2.186 213 F HA -0.051 4.476 4.527 -0.000 0.000 0.299 213 F C 2.645 178.499 175.800 0.091 0.000 1.090 213 F CA 1.741 59.656 58.000 -0.142 0.000 1.307 213 F CB -1.250 37.468 39.000 -0.470 0.000 1.019 213 F HN -0.185 nan 8.300 nan 0.000 0.489 214 G N -1.138 107.828 108.800 0.277 0.000 2.421 214 G HA2 -0.250 3.710 3.960 -0.000 0.000 0.217 214 G HA3 -0.250 3.710 3.960 -0.000 0.000 0.217 214 G C 1.635 176.757 174.900 0.370 0.000 1.143 214 G CA 0.314 45.556 45.100 0.237 0.000 0.784 214 G HN 0.335 nan 8.290 nan 0.000 0.541 215 F N 1.801 121.811 119.950 0.100 0.000 2.075 215 F HA -0.071 4.456 4.527 -0.000 0.000 0.297 215 F C 2.515 178.532 175.800 0.362 0.000 1.113 215 F CA 1.818 59.827 58.000 0.014 0.000 1.218 215 F CB 0.052 38.753 39.000 -0.498 0.000 0.984 215 F HN 0.044 nan 8.300 nan 0.000 0.472 216 N N 0.459 119.543 118.700 0.640 0.000 2.148 216 N HA -0.045 4.695 4.740 -0.000 0.000 0.186 216 N C 1.886 177.723 175.510 0.545 0.000 1.031 216 N CA 1.570 54.983 53.050 0.604 0.000 0.848 216 N CB -0.997 37.776 38.487 0.477 0.000 1.005 216 N HN 0.359 nan 8.380 nan 0.000 0.427 217 A N 0.409 123.511 122.820 0.471 0.000 1.930 217 A HA 0.062 4.382 4.320 -0.000 0.000 0.217 217 A C 2.263 180.149 177.584 0.504 0.000 1.175 217 A CA 1.751 54.114 52.037 0.544 0.000 0.627 217 A CB -1.156 18.266 19.000 0.702 0.000 0.815 217 A HN 0.353 nan 8.150 nan 0.000 0.443 218 G N -0.802 108.170 108.800 0.288 0.000 2.470 218 G HA2 -0.101 3.859 3.960 -0.000 0.000 0.220 218 G HA3 -0.101 3.859 3.960 -0.000 0.000 0.220 218 G C 1.572 176.352 174.900 -0.200 0.000 1.121 218 G CA 1.145 46.177 45.100 -0.115 0.000 0.766 218 G HN 0.472 nan 8.290 nan 0.000 0.553 219 S N 0.634 116.411 115.700 0.129 0.000 2.507 219 S HA 0.115 4.585 4.470 -0.000 0.000 0.235 219 S C 2.535 176.912 174.600 -0.371 0.000 0.988 219 S CA 0.691 58.773 58.200 -0.197 0.000 0.944 219 S CB -0.064 62.962 63.200 -0.289 0.000 0.762 219 S HN 0.576 nan 8.310 nan 0.000 0.526 220 A N 0.748 123.602 122.820 0.056 0.000 2.066 220 A HA 0.366 4.686 4.320 -0.000 0.000 0.218 220 A C 1.969 179.552 177.584 -0.001 0.000 1.157 220 A CA 1.140 53.284 52.037 0.178 0.000 0.670 220 A CB -0.903 18.315 19.000 0.363 0.000 0.804 220 A HN 0.855 nan 8.150 nan 0.000 0.453 221 G N -2.218 106.528 108.800 -0.091 0.000 2.184 221 G HA2 -0.176 3.784 3.960 -0.000 0.000 0.264 221 G HA3 -0.176 3.784 3.960 -0.000 0.000 0.264 221 G C 0.459 175.349 174.900 -0.016 0.000 0.975 221 G CA 1.295 46.313 45.100 -0.137 0.000 0.642 221 G HN 1.727 nan 8.290 nan 0.000 0.536 222 T N -1.994 112.618 114.554 0.097 0.000 2.957 222 T HA 0.666 5.016 4.350 -0.000 0.000 0.336 222 T C -0.066 174.619 174.700 -0.025 0.000 1.462 222 T CA 0.609 62.754 62.100 0.075 0.000 1.073 222 T CB 1.047 69.913 68.868 -0.002 0.000 1.319 222 T HN 1.716 nan 8.240 nan 0.000 0.485 223 A N 3.974 126.639 122.820 -0.259 0.000 3.077 223 A HA 0.401 4.721 4.320 -0.000 0.000 0.255 223 A C 0.680 178.056 177.584 -0.347 0.000 1.728 223 A CA -0.234 51.367 52.037 -0.726 0.000 1.383 223 A CB -1.570 16.970 19.000 -0.767 0.000 1.097 223 A HN 0.833 nan 8.150 nan 0.000 0.634 224 N N -0.855 117.724 118.700 -0.202 0.000 2.938 224 N HA 0.257 4.997 4.740 -0.000 0.000 0.335 224 N C 0.906 176.367 175.510 -0.081 0.000 1.358 224 N CA -0.215 52.769 53.050 -0.110 0.000 0.812 224 N CB 0.335 38.793 38.487 -0.048 0.000 1.233 224 N HN 0.151 nan 8.380 nan 0.000 0.593 225 E N 0.274 120.447 120.200 -0.044 0.000 2.268 225 E HA -0.130 4.220 4.350 -0.000 0.000 0.195 225 E C 1.643 178.239 176.600 -0.008 0.000 0.995 225 E CA 0.929 57.311 56.400 -0.030 0.000 0.836 225 E CB -0.175 29.512 29.700 -0.020 0.000 0.763 225 E HN 0.591 nan 8.360 nan 0.000 0.491 226 I N 1.817 122.396 120.570 0.015 0.000 2.353 226 I HA -0.073 4.097 4.170 -0.000 0.000 0.248 226 I C 2.599 178.749 176.117 0.055 0.000 1.119 226 I CA 1.030 62.344 61.300 0.024 0.000 1.417 226 I CB -1.422 36.639 38.000 0.102 0.000 1.078 226 I HN 0.117 nan 8.210 nan 0.000 0.421 227 A N 1.069 123.952 122.820 0.105 0.000 1.898 227 A HA -0.053 4.267 4.320 -0.000 0.000 0.216 227 A C 2.594 180.289 177.584 0.184 0.000 1.181 227 A CA 1.746 53.901 52.037 0.198 0.000 0.620 227 A CB -0.681 18.381 19.000 0.103 0.000 0.819 227 A HN 0.378 nan 8.150 nan 0.000 0.442 228 A N -0.286 122.571 122.820 0.062 0.000 1.877 228 A HA -0.064 4.256 4.320 -0.000 0.000 0.216 228 A C 2.151 179.801 177.584 0.111 0.000 1.186 228 A CA 1.792 53.861 52.037 0.052 0.000 0.620 228 A CB -0.704 18.276 19.000 -0.033 0.000 0.822 228 A HN 0.722 nan 8.150 nan 0.000 0.443 229 L N -0.143 121.111 121.223 0.051 0.000 1.989 229 L HA -0.097 4.243 4.340 -0.000 0.000 0.211 229 L C 2.686 179.583 176.870 0.045 0.000 1.071 229 L CA 2.420 57.275 54.840 0.025 0.000 0.749 229 L CB -0.864 41.169 42.059 -0.043 0.000 0.890 229 L HN 0.347 nan 8.230 nan 0.000 0.431 230 A N -1.112 121.715 122.820 0.012 0.000 1.940 230 A HA -0.271 4.049 4.320 -0.000 0.000 0.219 230 A C 2.263 179.968 177.584 0.202 0.000 1.176 230 A CA 1.952 54.002 52.037 0.021 0.000 0.631 230 A CB -1.193 17.825 19.000 0.030 0.000 0.814 230 A HN 0.545 nan 8.150 nan 0.000 0.446 231 F N 0.569 120.627 119.950 0.180 0.000 2.075 231 F HA -0.155 4.372 4.527 0.000 0.000 0.297 231 F C 2.379 178.335 175.800 0.259 0.000 1.113 231 F CA 1.948 60.129 58.000 0.302 0.000 1.218 231 F CB -0.446 38.689 39.000 0.224 0.000 0.984 231 F HN 0.032 nan 8.300 nan 0.000 0.472 232 V N 0.683 120.877 119.914 0.468 0.000 2.343 232 V HA -0.324 3.796 4.120 -0.000 0.000 0.247 232 V C 2.148 178.361 176.094 0.197 0.000 1.051 232 V CA 2.098 64.584 62.300 0.310 0.000 1.036 232 V CB -0.828 31.096 31.823 0.169 0.000 0.654 232 V HN 0.352 nan 8.190 nan 0.000 0.451 233 N N -0.087 118.688 118.700 0.125 0.000 2.244 233 N HA -0.119 4.621 4.740 -0.000 0.000 0.183 233 N C 1.896 177.422 175.510 0.027 0.000 1.016 233 N CA 1.737 54.816 53.050 0.050 0.000 0.866 233 N CB -0.482 38.008 38.487 0.005 0.000 0.980 233 N HN 0.453 nan 8.380 nan 0.000 0.430 234 T N 0.747 115.319 114.554 0.030 0.000 2.737 234 T HA -0.031 4.319 4.350 -0.000 0.000 0.265 234 T C 2.166 176.856 174.700 -0.017 0.000 1.038 234 T CA 0.754 62.781 62.100 -0.122 0.000 1.144 234 T CB -0.249 68.407 68.868 -0.353 0.000 0.866 234 T HN -0.049 nan 8.240 nan 0.000 0.434 235 V N 1.248 121.295 119.914 0.223 0.000 2.233 235 V HA -0.167 3.953 4.120 -0.000 0.000 0.247 235 V C 2.662 178.864 176.094 0.180 0.000 1.050 235 V CA 1.511 64.016 62.300 0.342 0.000 1.010 235 V CB -0.759 31.296 31.823 0.387 0.000 0.637 235 V HN 0.298 nan 8.190 nan 0.000 0.444 236 V N 0.237 120.222 119.914 0.118 0.000 2.261 236 V HA -0.278 3.841 4.120 -0.000 0.000 0.246 236 V C 2.725 178.822 176.094 0.006 0.000 1.047 236 V CA 2.188 64.520 62.300 0.054 0.000 1.015 236 V CB -1.245 30.599 31.823 0.035 0.000 0.642 236 V HN 0.569 nan 8.190 nan 0.000 0.446 237 A N -0.376 122.429 122.820 -0.025 0.000 1.908 237 A HA -0.249 4.071 4.320 -0.000 0.000 0.218 237 A C 2.384 179.918 177.584 -0.083 0.000 1.181 237 A CA 2.632 54.628 52.037 -0.069 0.000 0.627 237 A CB -1.010 17.932 19.000 -0.096 0.000 0.818 237 A HN 0.533 nan 8.150 nan 0.000 0.445 238 T N 0.221 114.725 114.554 -0.084 0.000 2.708 238 T HA -0.002 4.348 4.350 -0.000 0.000 0.266 238 T C 2.263 176.916 174.700 -0.078 0.000 1.037 238 T CA 1.625 63.659 62.100 -0.110 0.000 1.146 238 T CB -0.495 68.359 68.868 -0.022 0.000 0.865 238 T HN 0.610 nan 8.240 nan 0.000 0.435 239 A N 1.575 124.380 122.820 -0.026 0.000 1.877 239 A HA 0.115 4.435 4.320 -0.000 0.000 0.216 239 A C 2.664 180.243 177.584 -0.008 0.000 1.186 239 A CA 1.941 53.967 52.037 -0.018 0.000 0.620 239 A CB -1.198 17.813 19.000 0.019 0.000 0.822 239 A HN 0.508 nan 8.150 nan 0.000 0.443 240 A N -0.242 122.572 122.820 -0.010 0.000 1.908 240 A HA 0.134 4.454 4.320 -0.000 0.000 0.218 240 A C 2.481 180.075 177.584 0.017 0.000 1.181 240 A CA 2.187 54.221 52.037 -0.006 0.000 0.627 240 A CB -0.956 18.027 19.000 -0.029 0.000 0.818 240 A HN 1.091 nan 8.150 nan 0.000 0.445 241 A N -0.352 122.471 122.820 0.004 0.000 1.969 241 A HA 0.016 4.336 4.320 -0.000 0.000 0.218 241 A C 2.092 179.738 177.584 0.103 0.000 1.169 241 A CA 1.299 53.367 52.037 0.051 0.000 0.635 241 A CB -0.521 18.478 19.000 -0.002 0.000 0.810 241 A HN 0.494 nan 8.150 nan 0.000 0.445 242 I N -0.268 120.321 120.570 0.032 0.000 2.179 242 I HA -0.261 3.909 4.170 -0.000 0.000 0.242 242 I C 2.361 178.557 176.117 0.132 0.000 1.088 242 I CA 1.189 62.511 61.300 0.035 0.000 1.357 242 I CB -0.320 37.660 38.000 -0.034 0.000 1.051 242 I HN 0.292 nan 8.210 nan 0.000 0.409 243 L N 0.221 121.513 121.223 0.116 0.000 2.046 243 L HA -0.124 4.216 4.340 -0.000 0.000 0.208 243 L C 2.701 179.709 176.870 0.231 0.000 1.077 243 L CA 1.553 56.489 54.840 0.160 0.000 0.747 243 L CB -1.273 40.840 42.059 0.091 0.000 0.896 243 L HN 0.326 nan 8.230 nan 0.000 0.432 244 G N -0.500 108.414 108.800 0.190 0.000 2.433 244 G HA2 -0.298 3.662 3.960 -0.000 0.000 0.216 244 G HA3 -0.298 3.662 3.960 -0.000 0.000 0.216 244 G C 1.361 176.453 174.900 0.320 0.000 1.186 244 G CA 0.405 45.637 45.100 0.220 0.000 0.779 244 G HN 0.420 nan 8.290 nan 0.000 0.543 245 W N 1.251 122.622 121.300 0.119 0.000 2.355 245 W HA -0.098 4.562 4.660 -0.000 0.000 0.309 245 W C 2.210 178.811 176.519 0.137 0.000 1.206 245 W CA 1.004 58.416 57.345 0.110 0.000 1.284 245 W CB -0.481 29.015 29.460 0.060 0.000 1.145 245 W HN 0.118 nan 8.180 nan 0.000 0.502 246 I N 0.384 121.262 120.570 0.514 0.000 2.264 246 I HA -0.300 3.870 4.170 -0.000 0.000 0.248 246 I C 2.438 178.822 176.117 0.444 0.000 1.111 246 I CA 1.477 63.020 61.300 0.405 0.000 1.382 246 I CB -1.863 36.319 38.000 0.304 0.000 1.060 246 I HN -0.087 nan 8.210 nan 0.000 0.418 247 F N 1.907 122.031 119.950 0.291 0.000 2.113 247 F HA -0.080 4.447 4.527 0.000 0.000 0.297 247 F C 2.464 178.383 175.800 0.199 0.000 1.103 247 F CA 1.720 59.868 58.000 0.247 0.000 1.248 247 F CB -0.791 38.286 39.000 0.129 0.000 0.999 247 F HN 0.051 nan 8.300 nan 0.000 0.475 248 G N -0.551 108.341 108.800 0.154 0.000 2.422 248 G HA2 -0.310 3.650 3.960 -0.000 0.000 0.218 248 G HA3 -0.310 3.650 3.960 -0.000 0.000 0.218 248 G C 1.570 176.438 174.900 -0.053 0.000 1.146 248 G CA 0.853 45.939 45.100 -0.025 0.000 0.769 248 G HN 0.502 nan 8.290 nan 0.000 0.547 249 E N -1.012 119.215 120.200 0.045 0.000 2.152 249 E HA -0.110 4.239 4.350 -0.000 0.000 0.192 249 E C 2.058 178.714 176.600 0.092 0.000 0.983 249 E CA 0.424 56.868 56.400 0.074 0.000 0.818 249 E CB -0.216 29.610 29.700 0.209 0.000 0.758 249 E HN 0.503 nan 8.360 nan 0.000 0.467 250 W N 0.987 122.241 121.300 -0.077 0.000 2.381 250 W HA -0.002 4.658 4.660 0.000 0.000 0.301 250 W C 2.076 178.490 176.519 -0.175 0.000 1.205 250 W CA 1.855 59.136 57.345 -0.106 0.000 1.285 250 W CB -0.501 28.894 29.460 -0.108 0.000 1.133 250 W HN 0.180 nan 8.180 nan 0.000 0.521 251 A N -0.562 122.230 122.820 -0.045 0.000 2.167 251 A HA -0.022 4.298 4.320 -0.000 0.000 0.214 251 A C 1.765 179.311 177.584 -0.064 0.000 1.151 251 A CA 1.150 53.094 52.037 -0.154 0.000 0.735 251 A CB -0.517 18.246 19.000 -0.395 0.000 0.802 251 A HN 0.243 nan 8.150 nan 0.000 0.467 252 L N -2.102 119.101 121.223 -0.033 0.000 2.408 252 L HA 0.304 4.644 4.340 -0.000 0.000 0.215 252 L C 1.625 178.497 176.870 0.003 0.000 1.081 252 L CA 1.058 55.887 54.840 -0.020 0.000 0.840 252 L CB 0.167 42.207 42.059 -0.032 0.000 1.002 252 L HN 0.118 nan 8.230 nan 0.000 0.468 253 R N -0.954 119.558 120.500 0.021 0.000 2.531 253 R HA 0.442 4.782 4.340 -0.000 0.000 0.316 253 R C 1.197 177.514 176.300 0.028 0.000 0.955 253 R CA 0.579 56.688 56.100 0.016 0.000 1.120 253 R CB 0.245 30.549 30.300 0.006 0.000 1.361 253 R HN 0.292 nan 8.270 nan 0.000 0.534 254 G N 1.600 110.452 108.800 0.086 0.000 2.179 254 G HA2 -0.292 3.668 3.960 -0.000 0.000 0.260 254 G HA3 -0.292 3.668 3.960 -0.000 0.000 0.260 254 G C -0.157 174.777 174.900 0.057 0.000 0.977 254 G CA 0.718 45.909 45.100 0.152 0.000 0.641 254 G HN 0.237 nan 8.290 nan 0.000 0.533 255 L N -3.071 118.059 121.223 -0.155 0.000 2.545 255 L HA 0.830 5.170 4.340 -0.000 0.000 0.258 255 L C -2.722 173.879 176.870 -0.448 0.000 0.942 255 L CA -2.562 51.998 54.840 -0.466 0.000 0.855 255 L CB 1.167 43.072 42.059 -0.256 0.000 1.374 255 L HN -0.056 nan 8.230 nan 0.000 0.411 256 P HA 0.488 nan 4.420 nan 0.000 0.276 256 P C -0.874 176.293 177.300 -0.221 0.000 1.252 256 P CA -0.227 62.659 63.100 -0.357 0.000 0.802 256 P CB 1.722 33.145 31.700 -0.462 0.000 1.035 257 S N 0.343 115.980 115.700 -0.104 0.000 2.599 257 S HA 0.270 4.740 4.470 -0.000 0.000 0.287 257 S C 0.755 175.300 174.600 -0.092 0.000 1.105 257 S CA -0.713 57.435 58.200 -0.087 0.000 0.899 257 S CB 1.117 64.300 63.200 -0.030 0.000 1.100 257 S HN 0.273 nan 8.310 nan 0.000 0.482 258 L N 1.601 122.764 121.223 -0.099 0.000 2.046 258 L HA 0.126 4.466 4.340 -0.000 0.000 0.208 258 L C 2.048 178.849 176.870 -0.115 0.000 1.077 258 L CA 1.650 56.426 54.840 -0.107 0.000 0.747 258 L CB -1.118 40.873 42.059 -0.114 0.000 0.896 258 L HN 0.898 nan 8.230 nan 0.000 0.432 259 L N -0.719 120.439 121.223 -0.109 0.000 2.079 259 L HA -0.158 4.182 4.340 -0.000 0.000 0.210 259 L C 2.402 179.125 176.870 -0.245 0.000 1.081 259 L CA 1.337 56.089 54.840 -0.147 0.000 0.752 259 L CB -1.054 40.970 42.059 -0.058 0.000 0.896 259 L HN 0.503 nan 8.230 nan 0.000 0.433 260 G N -1.051 107.639 108.800 -0.182 0.000 2.402 260 G HA2 -0.228 3.732 3.960 -0.000 0.000 0.216 260 G HA3 -0.228 3.732 3.960 -0.000 0.000 0.216 260 G C 1.726 176.236 174.900 -0.650 0.000 1.162 260 G CA 0.685 45.568 45.100 -0.362 0.000 0.777 260 G HN 0.479 nan 8.290 nan 0.000 0.539 261 A N 0.021 122.669 122.820 -0.287 0.000 1.902 261 A HA -0.086 4.234 4.320 -0.000 0.000 0.217 261 A C 2.581 179.999 177.584 -0.277 0.000 1.181 261 A CA 1.848 53.757 52.037 -0.213 0.000 0.623 261 A CB -0.986 17.953 19.000 -0.102 0.000 0.818 261 A HN 0.425 nan 8.150 nan 0.000 0.443 262 C N -0.782 118.365 119.300 -0.256 0.000 2.446 262 C HA -0.028 4.432 4.460 -0.000 0.000 0.277 262 C C 3.248 178.037 174.990 -0.335 0.000 1.275 262 C CA 1.186 60.080 59.018 -0.208 0.000 1.727 262 C CB -1.196 26.485 27.740 -0.099 0.000 2.010 262 C HN 0.618 nan 8.230 nan 0.000 0.486 263 S N 0.872 116.219 115.700 -0.588 0.000 2.382 263 S HA -0.069 4.401 4.470 -0.000 0.000 0.228 263 S C 2.076 176.143 174.600 -0.888 0.000 1.027 263 S CA 1.498 59.193 58.200 -0.842 0.000 0.991 263 S CB -0.681 61.625 63.200 -1.490 0.000 0.823 263 S HN 0.766 nan 8.310 nan 0.000 0.469 264 G N 1.493 109.742 108.800 -0.919 0.000 2.418 264 G HA2 -0.057 3.903 3.960 -0.000 0.000 0.217 264 G HA3 -0.057 3.903 3.960 -0.000 0.000 0.217 264 G C 1.579 176.356 174.900 -0.205 0.000 1.158 264 G CA 0.893 45.824 45.100 -0.281 0.000 0.771 264 G HN 0.573 nan 8.290 nan 0.000 0.545 265 A N 1.156 123.811 122.820 -0.275 0.000 1.865 265 A HA -0.039 4.281 4.320 -0.000 0.000 0.217 265 A C 2.359 179.728 177.584 -0.358 0.000 1.191 265 A CA 1.614 53.482 52.037 -0.282 0.000 0.623 265 A CB -0.362 18.461 19.000 -0.295 0.000 0.826 265 A HN 0.271 nan 8.150 nan 0.000 0.444 266 I N 0.058 120.402 120.570 -0.376 0.000 2.163 266 I HA -0.266 3.904 4.170 -0.000 0.000 0.243 266 I C 2.986 178.824 176.117 -0.465 0.000 1.085 266 I CA 1.505 62.522 61.300 -0.471 0.000 1.347 266 I CB -1.766 35.989 38.000 -0.407 0.000 1.044 266 I HN 0.376 nan 8.210 nan 0.000 0.408 267 A N 1.069 123.729 122.820 -0.268 0.000 1.917 267 A HA -0.161 4.159 4.320 -0.000 0.000 0.219 267 A C 2.520 179.994 177.584 -0.183 0.000 1.182 267 A CA 2.158 54.121 52.037 -0.124 0.000 0.633 267 A CB -1.400 17.697 19.000 0.163 0.000 0.819 267 A HN 0.451 nan 8.150 nan 0.000 0.448 268 G N -0.580 108.097 108.800 -0.204 0.000 2.408 268 G HA2 -0.082 3.878 3.960 -0.000 0.000 0.217 268 G HA3 -0.082 3.878 3.960 -0.000 0.000 0.217 268 G C 1.556 176.232 174.900 -0.374 0.000 1.150 268 G CA 0.942 45.914 45.100 -0.214 0.000 0.776 268 G HN 0.433 nan 8.290 nan 0.000 0.542 269 L N 0.129 120.960 121.223 -0.653 0.000 2.056 269 L HA -0.066 4.274 4.340 -0.000 0.000 0.207 269 L C 2.985 179.311 176.870 -0.907 0.000 1.078 269 L CA 0.464 54.587 54.840 -1.195 0.000 0.749 269 L CB -0.453 40.274 42.059 -2.220 0.000 0.901 269 L HN 0.081 nan 8.230 nan 0.000 0.433 270 V N 0.073 119.567 119.914 -0.700 0.000 2.295 270 V HA -0.206 3.914 4.120 -0.000 0.000 0.246 270 V C 2.624 178.628 176.094 -0.150 0.000 1.049 270 V CA 2.053 64.069 62.300 -0.473 0.000 1.024 270 V CB -1.275 30.237 31.823 -0.518 0.000 0.648 270 V HN 0.566 nan 8.190 nan 0.000 0.447 271 G N -0.852 107.871 108.800 -0.129 0.000 2.440 271 G HA2 -0.241 3.719 3.960 -0.000 0.000 0.218 271 G HA3 -0.241 3.719 3.960 -0.000 0.000 0.218 271 G C 1.723 176.647 174.900 0.041 0.000 1.154 271 G CA 1.229 46.324 45.100 -0.008 0.000 0.767 271 G HN 0.389 nan 8.290 nan 0.000 0.552 272 V N 0.596 120.498 119.914 -0.020 0.000 3.129 272 V HA -0.039 4.081 4.120 -0.000 0.000 0.259 272 V C 2.903 179.097 176.094 0.167 0.000 1.116 272 V CA 2.134 64.454 62.300 0.035 0.000 1.127 272 V CB -0.539 31.253 31.823 -0.051 0.000 0.742 272 V HN 0.398 nan 8.190 nan 0.000 0.474 273 T N 1.970 116.677 114.554 0.255 0.000 2.597 273 T HA -0.138 4.212 4.350 -0.000 0.000 0.267 273 T C -0.168 174.865 174.700 0.556 0.000 1.053 273 T CA 2.379 64.808 62.100 0.547 0.000 1.165 273 T CB -1.231 68.126 68.868 0.815 0.000 0.863 273 T HN 0.567 nan 8.240 nan 0.000 0.427 274 P HA 0.154 nan 4.420 nan 0.000 0.225 274 P C 0.903 178.505 177.300 0.504 0.000 1.156 274 P CA 1.032 64.433 63.100 0.500 0.000 0.787 274 P CB 0.007 31.950 31.700 0.405 0.000 0.802 275 A N -0.076 122.966 122.820 0.370 0.000 2.115 275 A HA 0.006 4.326 4.320 -0.000 0.000 0.211 275 A C 2.403 180.064 177.584 0.128 0.000 1.169 275 A CA 0.735 52.961 52.037 0.316 0.000 0.787 275 A CB -1.677 17.467 19.000 0.240 0.000 0.858 275 A HN 0.377 nan 8.150 nan 0.000 0.474 276 C N -0.981 118.352 119.300 0.055 0.000 2.382 276 C HA -0.118 4.342 4.460 -0.000 0.000 0.274 276 C C 2.434 177.166 174.990 -0.431 0.000 1.180 276 C CA 0.998 59.949 59.018 -0.112 0.000 1.799 276 C CB -1.738 26.000 27.740 -0.003 0.000 2.094 276 C HN 0.539 nan 8.230 nan 0.000 0.468 277 G N -2.316 105.810 108.800 -1.124 0.000 3.042 277 G HA2 0.300 4.260 3.960 -0.000 0.000 0.212 277 G HA3 0.300 4.260 3.960 -0.000 0.000 0.212 277 G C 0.826 175.259 174.900 -0.778 0.000 1.166 277 G CA 0.354 44.538 45.100 -1.527 0.000 0.767 277 G HN 0.675 nan 8.290 nan 0.000 0.546 278 Y N 0.031 120.219 120.300 -0.186 0.000 2.426 278 Y HA 0.381 4.931 4.550 -0.000 0.000 0.249 278 Y C 1.141 177.037 175.900 -0.007 0.000 1.103 278 Y CA -1.541 56.548 58.100 -0.019 0.000 1.256 278 Y CB 0.219 38.735 38.460 0.093 0.000 1.208 278 Y HN 0.231 nan 8.280 nan 0.000 0.519 279 I N -2.338 118.302 120.570 0.117 0.000 3.100 279 I HA 0.926 5.096 4.170 -0.000 0.000 0.312 279 I C 0.574 176.721 176.117 0.049 0.000 1.063 279 I CA -1.296 60.070 61.300 0.111 0.000 1.031 279 I CB 1.459 39.541 38.000 0.137 0.000 1.243 279 I HN -0.043 nan 8.210 nan 0.000 0.483 280 G N 0.963 109.801 108.800 0.063 0.000 2.502 280 G HA2 0.433 4.393 3.960 -0.000 0.000 0.305 280 G HA3 0.433 4.393 3.960 -0.000 0.000 0.305 280 G C 0.641 175.548 174.900 0.012 0.000 1.190 280 G CA -0.638 44.484 45.100 0.036 0.000 0.933 280 G HN 0.579 nan 8.290 nan 0.000 0.503 281 V N 1.284 121.203 119.914 0.009 0.000 2.469 281 V HA -0.120 4.000 4.120 -0.000 0.000 0.251 281 V C 2.974 179.054 176.094 -0.024 0.000 1.064 281 V CA 2.395 64.695 62.300 -0.001 0.000 1.066 281 V CB -0.957 30.874 31.823 0.014 0.000 0.667 281 V HN 0.833 nan 8.190 nan 0.000 0.461 282 G N 0.224 109.017 108.800 -0.012 0.000 2.402 282 G HA2 -0.123 3.837 3.960 -0.000 0.000 0.216 282 G HA3 -0.123 3.837 3.960 -0.000 0.000 0.216 282 G C 1.612 176.442 174.900 -0.117 0.000 1.162 282 G CA 0.849 45.934 45.100 -0.026 0.000 0.777 282 G HN 0.578 nan 8.290 nan 0.000 0.539 283 G N 0.937 109.660 108.800 -0.129 0.000 2.422 283 G HA2 0.101 4.061 3.960 -0.000 0.000 0.218 283 G HA3 0.101 4.061 3.960 -0.000 0.000 0.218 283 G C 1.999 176.617 174.900 -0.469 0.000 1.140 283 G CA 1.415 46.226 45.100 -0.481 0.000 0.775 283 G HN 0.612 nan 8.290 nan 0.000 0.545 284 A N 0.534 123.231 122.820 -0.205 0.000 1.898 284 A HA 0.100 4.420 4.320 -0.000 0.000 0.216 284 A C 2.347 179.841 177.584 -0.150 0.000 1.181 284 A CA 1.389 53.340 52.037 -0.143 0.000 0.620 284 A CB -0.422 18.541 19.000 -0.062 0.000 0.819 284 A HN 0.402 nan 8.150 nan 0.000 0.442 285 L N -0.563 120.579 121.223 -0.135 0.000 2.046 285 L HA -0.135 4.205 4.340 -0.000 0.000 0.208 285 L C 2.365 179.151 176.870 -0.140 0.000 1.077 285 L CA 1.521 56.298 54.840 -0.105 0.000 0.747 285 L CB -0.220 41.795 42.059 -0.073 0.000 0.896 285 L HN 0.428 nan 8.230 nan 0.000 0.432 286 I N -0.250 120.180 120.570 -0.233 0.000 2.202 286 I HA -0.331 3.839 4.170 -0.000 0.000 0.242 286 I C 2.375 178.352 176.117 -0.233 0.000 1.091 286 I CA 1.454 62.605 61.300 -0.249 0.000 1.368 286 I CB -0.198 37.567 38.000 -0.391 0.000 1.058 286 I HN 0.227 nan 8.210 nan 0.000 0.410 287 I N 0.631 121.002 120.570 -0.333 0.000 2.286 287 I HA -0.231 3.939 4.170 -0.000 0.000 0.248 287 I C 2.621 178.686 176.117 -0.088 0.000 1.115 287 I CA 1.544 62.740 61.300 -0.174 0.000 1.392 287 I CB -0.887 37.023 38.000 -0.150 0.000 1.065 287 I HN 0.296 nan 8.210 nan 0.000 0.418 288 G N 0.606 109.346 108.800 -0.098 0.000 2.433 288 G HA2 -0.189 3.771 3.960 -0.000 0.000 0.216 288 G HA3 -0.189 3.771 3.960 -0.000 0.000 0.216 288 G C 1.703 176.592 174.900 -0.019 0.000 1.186 288 G CA 0.903 45.967 45.100 -0.059 0.000 0.779 288 G HN 0.231 nan 8.290 nan 0.000 0.543 289 V N 0.548 120.446 119.914 -0.026 0.000 2.295 289 V HA -0.184 3.936 4.120 -0.000 0.000 0.246 289 V C 3.061 179.171 176.094 0.027 0.000 1.049 289 V CA 1.611 63.915 62.300 0.006 0.000 1.024 289 V CB -0.533 31.278 31.823 -0.020 0.000 0.648 289 V HN 0.244 nan 8.190 nan 0.000 0.447 290 V N 0.327 120.246 119.914 0.008 0.000 2.343 290 V HA -0.257 3.863 4.120 -0.000 0.000 0.247 290 V C 2.716 178.834 176.094 0.040 0.000 1.051 290 V CA 2.010 64.323 62.300 0.023 0.000 1.036 290 V CB -1.196 30.642 31.823 0.025 0.000 0.654 290 V HN 0.561 nan 8.190 nan 0.000 0.451 291 A N 0.544 123.387 122.820 0.038 0.000 1.933 291 A HA -0.103 4.217 4.320 -0.000 0.000 0.218 291 A C 2.416 180.069 177.584 0.115 0.000 1.175 291 A CA 1.996 54.069 52.037 0.060 0.000 0.628 291 A CB -1.199 17.814 19.000 0.021 0.000 0.814 291 A HN 0.531 nan 8.150 nan 0.000 0.444 292 G N -0.234 108.646 108.800 0.133 0.000 2.421 292 G HA2 -0.144 3.816 3.960 -0.000 0.000 0.216 292 G HA3 -0.144 3.816 3.960 -0.000 0.000 0.216 292 G C 1.554 176.537 174.900 0.138 0.000 1.171 292 G CA 1.020 46.277 45.100 0.262 0.000 0.775 292 G HN 0.432 nan 8.290 nan 0.000 0.543 293 L N 0.599 121.860 121.223 0.063 0.000 2.093 293 L HA 0.002 4.342 4.340 -0.000 0.000 0.208 293 L C 3.386 180.248 176.870 -0.015 0.000 1.085 293 L CA 0.905 55.738 54.840 -0.013 0.000 0.755 293 L CB -0.363 41.718 42.059 0.036 0.000 0.904 293 L HN 0.307 nan 8.230 nan 0.000 0.435 294 A N 0.331 123.177 122.820 0.045 0.000 1.930 294 A HA -0.094 4.226 4.320 -0.000 0.000 0.217 294 A C 2.401 180.097 177.584 0.185 0.000 1.175 294 A CA 1.621 53.725 52.037 0.113 0.000 0.627 294 A CB -1.158 17.893 19.000 0.085 0.000 0.815 294 A HN 0.427 nan 8.150 nan 0.000 0.443 295 G N -0.113 108.758 108.800 0.118 0.000 2.421 295 G HA2 -0.146 3.814 3.960 -0.000 0.000 0.216 295 G HA3 -0.146 3.814 3.960 -0.000 0.000 0.216 295 G C 1.491 176.231 174.900 -0.266 0.000 1.171 295 G CA 1.192 46.398 45.100 0.176 0.000 0.775 295 G HN 0.476 nan 8.290 nan 0.000 0.543 296 L N -0.335 120.295 121.223 -0.988 0.000 2.012 296 L HA -0.007 4.333 4.340 -0.000 0.000 0.210 296 L C 2.461 179.092 176.870 -0.399 0.000 1.073 296 L CA 2.000 56.075 54.840 -1.275 0.000 0.748 296 L CB -0.760 40.534 42.059 -1.275 0.000 0.891 296 L HN 0.467 nan 8.230 nan 0.000 0.431 297 W N 0.393 121.504 121.300 -0.315 0.000 2.335 297 W HA -0.122 4.538 4.660 0.000 0.000 0.311 297 W C 2.267 178.740 176.519 -0.076 0.000 1.213 297 W CA 2.536 59.793 57.345 -0.148 0.000 1.274 297 W CB -0.898 28.508 29.460 -0.090 0.000 1.148 297 W HN 0.222 nan 8.180 nan 0.000 0.498 298 G N 0.619 109.432 108.800 0.022 0.000 2.459 298 G HA2 -0.340 3.620 3.960 -0.000 0.000 0.217 298 G HA3 -0.340 3.620 3.960 -0.000 0.000 0.217 298 G C 1.470 176.259 174.900 -0.186 0.000 1.183 298 G CA 2.551 47.565 45.100 -0.145 0.000 0.776 298 G HN 0.569 nan 8.290 nan 0.000 0.552 299 V N -0.923 118.969 119.914 -0.036 0.000 2.626 299 V HA 0.031 4.151 4.120 -0.000 0.000 0.252 299 V C 1.705 177.757 176.094 -0.069 0.000 1.067 299 V CA 1.492 63.814 62.300 0.037 0.000 1.081 299 V CB -1.311 30.651 31.823 0.231 0.000 0.686 299 V HN 0.191 nan 8.190 nan 0.000 0.468 303 K N 1.708 122.075 120.400 -0.056 0.000 2.147 303 K HA -0.035 4.285 4.320 -0.000 0.000 0.205 303 K C 1.841 178.409 176.600 -0.053 0.000 1.049 303 K CA 1.682 57.939 56.287 -0.050 0.000 0.936 303 K CB -0.047 32.422 32.500 -0.050 0.000 0.722 303 K HN 0.174 nan 8.250 nan 0.000 0.446 304 R N -0.210 120.248 120.500 -0.069 0.000 2.148 304 R HA 0.000 4.340 4.340 -0.000 0.000 0.227 304 R C 2.185 178.465 176.300 -0.035 0.000 1.103 304 R CA 1.337 57.404 56.100 -0.055 0.000 0.983 304 R CB -0.238 30.020 30.300 -0.071 0.000 0.874 304 R HN 0.206 nan 8.270 nan 0.000 0.451 305 L N -0.450 120.755 121.223 -0.030 0.000 2.130 305 L HA -0.073 4.267 4.340 -0.000 0.000 0.200 305 L C 2.090 178.960 176.870 0.001 0.000 1.075 305 L CA 0.376 55.213 54.840 -0.005 0.000 0.768 305 L CB -0.279 41.785 42.059 0.009 0.000 0.933 305 L HN 0.139 nan 8.230 nan 0.000 0.451 306 L N 0.115 121.336 121.223 -0.003 0.000 2.179 306 L HA -0.055 4.285 4.340 -0.000 0.000 0.208 306 L C 1.948 178.802 176.870 -0.025 0.000 1.096 306 L CA 1.265 56.101 54.840 -0.007 0.000 0.779 306 L CB -0.718 41.339 42.059 -0.003 0.000 0.922 306 L HN 0.429 nan 8.230 nan 0.000 0.443 307 R N -0.771 119.709 120.500 -0.034 0.000 4.010 307 R HA -0.202 4.138 4.340 -0.000 0.000 0.409 307 R C -0.862 175.401 176.300 -0.061 0.000 1.120 307 R CA 1.127 57.202 56.100 -0.042 0.000 1.244 307 R CB -2.375 27.908 30.300 -0.028 0.000 1.799 307 R HN 0.253 nan 8.270 nan 0.000 0.559 308 V N 1.053 120.919 119.914 -0.080 0.000 3.007 308 V HA 0.466 4.586 4.120 -0.000 0.000 0.311 308 V C -0.941 175.026 176.094 -0.212 0.000 1.120 308 V CA -0.704 61.520 62.300 -0.128 0.000 0.980 308 V CB 1.956 33.719 31.823 -0.100 0.000 1.033 308 V HN 0.240 nan 8.190 nan 0.000 0.429 309 D N 3.792 123.960 120.400 -0.387 0.000 2.417 309 D HA 0.298 4.938 4.640 -0.000 0.000 0.250 309 D C -0.573 175.353 176.300 -0.624 0.000 1.166 309 D CA 0.807 54.324 54.000 -0.806 0.000 0.881 309 D CB 0.784 40.630 40.800 -1.588 0.000 1.164 309 D HN 0.643 nan 8.370 nan 0.000 0.467 310 D N 2.431 122.675 120.400 -0.260 0.000 2.934 310 D HA 0.131 4.771 4.640 -0.000 0.000 0.230 310 D C -1.992 174.509 176.300 0.334 0.000 1.204 310 D CA -1.824 52.213 54.000 0.061 0.000 0.873 310 D CB 2.908 43.722 40.800 0.024 0.000 1.645 310 D HN -0.030 nan 8.370 nan 0.000 0.502 311 P HA -0.110 nan 4.420 nan 0.000 0.218 311 P C 1.405 178.768 177.300 0.105 0.000 1.146 311 P CA 0.791 64.041 63.100 0.250 0.000 0.813 311 P CB 0.074 31.868 31.700 0.156 0.000 0.778 312 C N -0.082 119.235 119.300 0.027 0.000 2.466 312 C HA -0.022 4.438 4.460 -0.000 0.000 0.283 312 C C 2.150 177.158 174.990 0.029 0.000 1.472 312 C CA 0.515 59.492 59.018 -0.068 0.000 1.765 312 C CB -1.973 25.872 27.740 0.175 0.000 1.724 312 C HN 0.266 nan 8.230 nan 0.000 0.560 313 D N 0.761 121.235 120.400 0.123 0.000 2.263 313 D HA -0.085 4.555 4.640 -0.000 0.000 0.208 313 D C 2.070 178.476 176.300 0.176 0.000 0.971 313 D CA 0.783 54.888 54.000 0.176 0.000 0.867 313 D CB -0.186 40.755 40.800 0.237 0.000 0.929 313 D HN 0.296 nan 8.370 nan 0.000 0.492 314 V N 0.500 120.470 119.914 0.092 0.000 2.392 314 V HA -0.244 3.876 4.120 -0.000 0.000 0.249 314 V C 2.039 178.277 176.094 0.240 0.000 1.059 314 V CA 1.309 63.692 62.300 0.138 0.000 1.051 314 V CB -0.669 31.213 31.823 0.100 0.000 0.658 314 V HN 0.218 nan 8.190 nan 0.000 0.455 315 F N 0.790 120.933 119.950 0.321 0.000 2.365 315 F HA -0.035 4.492 4.527 -0.000 0.000 0.300 315 F C 2.376 178.336 175.800 0.266 0.000 1.090 315 F CA 0.740 58.910 58.000 0.282 0.000 1.408 315 F CB -0.670 38.447 39.000 0.194 0.000 1.060 315 F HN 0.268 nan 8.300 nan 0.000 0.534 316 G N 0.103 109.127 108.800 0.374 0.000 2.408 316 G HA2 -0.171 3.789 3.960 -0.000 0.000 0.217 316 G HA3 -0.171 3.789 3.960 -0.000 0.000 0.217 316 G C 1.680 176.752 174.900 0.287 0.000 1.150 316 G CA 1.026 46.294 45.100 0.281 0.000 0.776 316 G HN 0.221 nan 8.290 nan 0.000 0.542 317 V N 0.262 120.350 119.914 0.290 0.000 2.323 317 V HA -0.132 3.988 4.120 -0.000 0.000 0.244 317 V C 2.496 178.681 176.094 0.151 0.000 1.041 317 V CA 1.620 64.054 62.300 0.223 0.000 1.025 317 V CB -0.687 31.225 31.823 0.149 0.000 0.656 317 V HN 0.415 nan 8.190 nan 0.000 0.451 318 H N 0.318 119.528 119.070 0.235 0.000 2.353 318 H HA -0.103 4.453 4.556 0.000 0.000 0.300 318 H C 2.360 177.858 175.328 0.284 0.000 1.090 318 H CA 1.834 58.036 56.048 0.258 0.000 1.327 318 H CB -0.461 29.521 29.762 0.367 0.000 1.383 318 H HN 0.492 nan 8.280 nan 0.000 0.508 319 G N 0.427 109.475 108.800 0.413 0.000 2.434 319 G HA2 -0.181 3.779 3.960 -0.000 0.000 0.214 319 G HA3 -0.181 3.779 3.960 -0.000 0.000 0.214 319 G C 1.966 177.029 174.900 0.271 0.000 1.202 319 G CA 1.173 46.468 45.100 0.326 0.000 0.788 319 G HN 0.238 nan 8.290 nan 0.000 0.539 320 V N 0.686 120.761 119.914 0.268 0.000 2.261 320 V HA -0.229 3.891 4.120 -0.000 0.000 0.246 320 V C 3.083 179.297 176.094 0.201 0.000 1.047 320 V CA 1.927 64.381 62.300 0.257 0.000 1.015 320 V CB -0.848 31.169 31.823 0.323 0.000 0.642 320 V HN 0.509 nan 8.190 nan 0.000 0.446 321 C N 0.848 120.253 119.300 0.174 0.000 2.435 321 C HA 0.017 4.477 4.460 -0.000 0.000 0.279 321 C C 2.898 177.962 174.990 0.123 0.000 1.321 321 C CA 0.450 59.536 59.018 0.114 0.000 1.752 321 C CB -1.743 26.024 27.740 0.045 0.000 1.959 321 C HN 0.700 nan 8.230 nan 0.000 0.500 322 G N 0.748 109.653 108.800 0.175 0.000 2.421 322 G HA2 -0.157 3.803 3.960 -0.000 0.000 0.216 322 G HA3 -0.157 3.803 3.960 -0.000 0.000 0.216 322 G C 1.486 176.515 174.900 0.216 0.000 1.171 322 G CA 0.718 45.963 45.100 0.242 0.000 0.775 322 G HN 0.522 nan 8.290 nan 0.000 0.543 323 I N 0.214 120.901 120.570 0.195 0.000 2.179 323 I HA -0.153 4.017 4.170 -0.000 0.000 0.242 323 I C 2.810 179.010 176.117 0.138 0.000 1.088 323 I CA 0.510 61.908 61.300 0.162 0.000 1.357 323 I CB -0.256 37.836 38.000 0.153 0.000 1.051 323 I HN 0.026 nan 8.210 nan 0.000 0.409 324 V N 1.021 121.011 119.914 0.128 0.000 2.287 324 V HA -0.257 3.863 4.120 -0.000 0.000 0.248 324 V C 2.576 178.746 176.094 0.127 0.000 1.053 324 V CA 2.318 64.682 62.300 0.107 0.000 1.027 324 V CB -1.426 30.451 31.823 0.089 0.000 0.646 324 V HN 0.593 nan 8.190 nan 0.000 0.447 325 G N -1.576 107.306 108.800 0.136 0.000 2.418 325 G HA2 -0.341 3.619 3.960 -0.000 0.000 0.217 325 G HA3 -0.341 3.619 3.960 -0.000 0.000 0.217 325 G C 1.901 176.918 174.900 0.195 0.000 1.158 325 G CA 1.156 46.350 45.100 0.156 0.000 0.771 325 G HN 0.559 nan 8.290 nan 0.000 0.545 326 C N 0.207 119.624 119.300 0.194 0.000 2.429 326 C HA 0.230 4.690 4.460 -0.000 0.000 0.277 326 C C 1.961 177.048 174.990 0.162 0.000 1.262 326 C CA -0.495 58.638 59.018 0.192 0.000 1.733 326 C CB -1.007 26.836 27.740 0.172 0.000 2.010 326 C HN 0.337 nan 8.230 nan 0.000 0.483 330 G N 1.006 109.937 108.800 0.219 0.000 2.498 330 G HA2 0.023 3.983 3.960 -0.000 0.000 0.219 330 G HA3 0.023 3.983 3.960 -0.000 0.000 0.219 330 G C 1.222 176.277 174.900 0.259 0.000 1.119 330 G CA 0.832 46.056 45.100 0.207 0.000 0.766 330 G HN 0.555 nan 8.290 nan 0.000 0.552 331 I N -1.358 119.318 120.570 0.176 0.000 2.900 331 I HA 0.189 4.359 4.170 -0.000 0.000 0.251 331 I C 1.669 177.726 176.117 -0.100 0.000 1.102 331 I CA 0.164 61.467 61.300 0.004 0.000 1.457 331 I CB 0.001 37.863 38.000 -0.231 0.000 1.285 331 I HN -0.005 nan 8.210 nan 0.000 0.459 332 F N 1.357 121.384 119.950 0.129 0.000 2.802 332 F HA 0.091 4.618 4.527 -0.000 0.000 0.300 332 F C 2.315 178.129 175.800 0.024 0.000 1.168 332 F CA 0.558 58.602 58.000 0.072 0.000 1.433 332 F CB -0.533 38.508 39.000 0.069 0.000 1.115 332 F HN -0.005 nan 8.300 nan 0.000 0.582 333 A N 0.272 123.160 122.820 0.112 0.000 2.119 333 A HA 0.319 4.639 4.320 -0.000 0.000 0.217 333 A C 1.631 178.960 177.584 -0.426 0.000 1.153 333 A CA 0.557 52.552 52.037 -0.070 0.000 0.692 333 A CB -0.854 18.107 19.000 -0.065 0.000 0.799 333 A HN 0.153 nan 8.150 nan 0.000 0.458 334 A N 0.516 123.035 122.820 -0.501 0.000 2.511 334 A HA 0.385 4.705 4.320 -0.000 0.000 0.242 334 A C 1.590 179.043 177.584 -0.219 0.000 1.069 334 A CA 0.416 52.138 52.037 -0.525 0.000 0.763 334 A CB 0.075 18.980 19.000 -0.159 0.000 1.001 334 A HN 0.974 nan 8.150 nan 0.000 0.498 335 S N 1.586 117.174 115.700 -0.185 0.000 2.423 335 S HA -0.175 4.295 4.470 -0.000 0.000 0.231 335 S C 1.855 176.436 174.600 -0.032 0.000 1.014 335 S CA 1.327 59.480 58.200 -0.079 0.000 0.965 335 S CB -0.798 62.366 63.200 -0.060 0.000 0.785 335 S HN 1.424 nan 8.310 nan 0.000 0.495 336 S N 2.233 117.916 115.700 -0.029 0.000 2.419 336 S HA 0.067 4.537 4.470 -0.000 0.000 0.235 336 S C 1.512 176.117 174.600 0.009 0.000 1.019 336 S CA 0.928 59.125 58.200 -0.004 0.000 0.982 336 S CB -0.775 62.426 63.200 0.003 0.000 0.789 336 S HN 0.577 nan 8.310 nan 0.000 0.490 337 L N 0.868 122.095 121.223 0.007 0.000 2.700 337 L HA 0.403 4.743 4.340 -0.000 0.000 0.234 337 L C 1.682 178.615 176.870 0.104 0.000 1.156 337 L CA 0.237 55.119 54.840 0.069 0.000 0.946 337 L CB -0.212 41.880 42.059 0.055 0.000 1.216 337 L HN 0.580 nan 8.230 nan 0.000 0.493 338 G N -0.155 108.674 108.800 0.048 0.000 2.176 338 G HA2 -0.237 3.723 3.960 -0.000 0.000 0.253 338 G HA3 -0.237 3.723 3.960 -0.000 0.000 0.253 338 G C 0.620 175.542 174.900 0.037 0.000 0.979 338 G CA -0.102 45.025 45.100 0.044 0.000 0.641 338 G HN 0.507 nan 8.290 nan 0.000 0.530 339 G N -1.182 107.632 108.800 0.024 0.000 2.653 339 G HA2 0.503 4.463 3.960 -0.000 0.000 0.265 339 G HA3 0.503 4.463 3.960 -0.000 0.000 0.265 339 G C 1.232 176.117 174.900 -0.026 0.000 1.237 339 G CA 0.537 45.643 45.100 0.010 0.000 0.946 339 G HN 0.966 nan 8.290 nan 0.000 0.522 340 V N -0.153 119.763 119.914 0.004 0.000 2.871 340 V HA 0.426 4.546 4.120 -0.000 0.000 0.256 340 V C 1.295 177.357 176.094 -0.053 0.000 1.082 340 V CA 2.284 64.597 62.300 0.021 0.000 1.105 340 V CB -0.976 30.932 31.823 0.141 0.000 0.713 340 V HN 1.969 nan 8.190 nan 0.000 0.473 341 G N -1.141 107.536 108.800 -0.205 0.000 2.515 341 G HA2 -0.034 3.926 3.960 -0.000 0.000 0.686 341 G HA3 -0.034 3.926 3.960 -0.000 0.000 0.686 341 G C -0.832 173.859 174.900 -0.348 0.000 1.274 341 G CA -0.451 44.456 45.100 -0.321 0.000 0.874 341 G HN 0.202 nan 8.290 nan 0.000 0.631 342 F N 0.972 120.930 119.950 0.013 0.000 2.380 342 F HA 0.779 5.306 4.527 0.000 0.000 0.321 342 F C 1.335 177.139 175.800 0.007 0.000 1.103 342 F CA 0.203 58.201 58.000 -0.003 0.000 1.067 342 F CB 0.869 39.873 39.000 0.008 0.000 1.265 342 F HN 0.928 nan 8.300 nan 0.000 0.517 343 A N 0.036 122.988 122.820 0.221 0.000 2.307 343 A HA 0.166 4.486 4.320 -0.000 0.000 0.271 343 A C 0.235 177.883 177.584 0.107 0.000 1.188 343 A CA -0.465 51.647 52.037 0.126 0.000 0.810 343 A CB -0.103 18.957 19.000 0.100 0.000 1.123 343 A HN 0.630 nan 8.150 nan 0.000 0.509 344 E N -0.272 119.966 120.200 0.063 0.000 2.417 344 E HA 0.293 4.643 4.350 -0.000 0.000 0.261 344 E C 1.208 177.812 176.600 0.007 0.000 1.000 344 E CA 1.407 57.828 56.400 0.036 0.000 0.919 344 E CB 0.283 29.995 29.700 0.020 0.000 0.955 344 E HN 1.351 nan 8.360 nan 0.000 0.455 345 G N 2.426 111.227 108.800 0.002 0.000 2.180 345 G HA2 -0.284 3.676 3.960 -0.000 0.000 0.263 345 G HA3 -0.284 3.676 3.960 -0.000 0.000 0.263 345 G C 0.313 175.169 174.900 -0.074 0.000 0.989 345 G CA 0.493 45.569 45.100 -0.039 0.000 0.692 345 G HN 0.372 nan 8.290 nan 0.000 0.526 346 V N 1.587 121.492 119.914 -0.015 0.000 2.465 346 V HA 0.681 4.801 4.120 -0.000 0.000 0.279 346 V C 1.015 177.071 176.094 -0.064 0.000 1.045 346 V CA 0.251 62.528 62.300 -0.039 0.000 0.938 346 V CB 1.378 33.238 31.823 0.062 0.000 0.986 346 V HN 0.692 nan 8.190 nan 0.000 0.467 350 H N 0.526 119.478 119.070 -0.197 0.000 2.389 350 H HA -0.021 4.535 4.556 -0.000 0.000 0.299 350 H C 2.417 177.639 175.328 -0.177 0.000 1.081 350 H CA 2.106 58.056 56.048 -0.163 0.000 1.345 350 H CB 0.248 29.917 29.762 -0.155 0.000 1.393 350 H HN 0.355 nan 8.280 nan 0.000 0.520 351 Q N 0.957 120.574 119.800 -0.305 0.000 2.084 351 Q HA -0.070 4.269 4.340 -0.000 0.000 0.202 351 Q C 2.716 178.592 176.000 -0.206 0.000 0.978 351 Q CA 1.252 56.877 55.803 -0.298 0.000 0.844 351 Q CB -0.382 28.081 28.738 -0.458 0.000 0.898 351 Q HN 0.517 nan 8.270 nan 0.000 0.426 352 L N -0.494 120.621 121.223 -0.180 0.000 2.042 352 L HA -0.217 4.123 4.340 -0.000 0.000 0.210 352 L C 2.290 179.101 176.870 -0.099 0.000 1.076 352 L CA 1.090 55.872 54.840 -0.095 0.000 0.749 352 L CB -0.520 41.494 42.059 -0.075 0.000 0.893 352 L HN 0.284 nan 8.230 nan 0.000 0.432 353 L N -1.130 120.002 121.223 -0.152 0.000 2.017 353 L HA -0.215 4.125 4.340 -0.000 0.000 0.208 353 L C 2.528 179.312 176.870 -0.143 0.000 1.073 353 L CA 0.963 55.720 54.840 -0.140 0.000 0.745 353 L CB -0.628 41.328 42.059 -0.172 0.000 0.894 353 L HN 0.064 nan 8.230 nan 0.000 0.432 354 V N -0.651 119.123 119.914 -0.234 0.000 2.407 354 V HA -0.262 3.857 4.120 -0.000 0.000 0.248 354 V C 2.612 178.673 176.094 -0.054 0.000 1.055 354 V CA 1.447 63.658 62.300 -0.148 0.000 1.049 354 V CB -0.504 31.208 31.823 -0.184 0.000 0.662 354 V HN 0.475 nan 8.190 nan 0.000 0.455 355 Q N -0.287 119.486 119.800 -0.045 0.000 2.050 355 Q HA -0.128 4.212 4.340 -0.000 0.000 0.202 355 Q C 2.314 178.326 176.000 0.019 0.000 0.980 355 Q CA 1.599 57.408 55.803 0.010 0.000 0.840 355 Q CB -0.546 28.212 28.738 0.033 0.000 0.898 355 Q HN 0.540 nan 8.270 nan 0.000 0.424 356 L N 0.767 121.993 121.223 0.004 0.000 2.042 356 L HA -0.212 4.128 4.340 -0.000 0.000 0.210 356 L C 2.322 179.207 176.870 0.025 0.000 1.076 356 L CA 1.287 56.139 54.840 0.019 0.000 0.749 356 L CB -0.450 41.613 42.059 0.006 0.000 0.893 356 L HN 0.292 nan 8.230 nan 0.000 0.432 357 E N -0.297 119.911 120.200 0.013 0.000 2.077 357 E HA -0.173 4.177 4.350 -0.000 0.000 0.193 357 E C 2.305 178.922 176.600 0.028 0.000 0.989 357 E CA 1.503 57.921 56.400 0.030 0.000 0.800 357 E CB -0.091 29.633 29.700 0.039 0.000 0.746 357 E HN 0.404 nan 8.360 nan 0.000 0.452 358 S N 1.048 116.754 115.700 0.010 0.000 2.368 358 S HA -0.134 4.336 4.470 -0.000 0.000 0.225 358 S C 2.090 176.704 174.600 0.024 0.000 1.030 358 S CA 0.843 59.038 58.200 -0.008 0.000 0.999 358 S CB -0.200 62.990 63.200 -0.017 0.000 0.844 358 S HN 0.192 nan 8.310 nan 0.000 0.459 359 I N 1.800 122.399 120.570 0.050 0.000 2.142 359 I HA -0.229 3.941 4.170 -0.000 0.000 0.240 359 I C 2.801 178.970 176.117 0.086 0.000 1.078 359 I CA 1.144 62.491 61.300 0.079 0.000 1.343 359 I CB -0.645 37.407 38.000 0.086 0.000 1.046 359 I HN 0.273 nan 8.210 nan 0.000 0.405 360 A N 1.270 124.135 122.820 0.076 0.000 1.873 360 A HA -0.225 4.095 4.320 -0.000 0.000 0.218 360 A C 2.313 179.961 177.584 0.106 0.000 1.193 360 A CA 1.825 53.912 52.037 0.083 0.000 0.629 360 A CB -1.008 18.033 19.000 0.069 0.000 0.826 360 A HN 0.399 nan 8.150 nan 0.000 0.447 361 I N -0.618 120.014 120.570 0.104 0.000 2.208 361 I HA -0.239 3.931 4.170 -0.000 0.000 0.245 361 I C 2.608 178.837 176.117 0.186 0.000 1.097 361 I CA 1.814 63.204 61.300 0.151 0.000 1.363 361 I CB -0.723 37.345 38.000 0.113 0.000 1.051 361 I HN 0.293 nan 8.210 nan 0.000 0.413 362 T N 1.271 115.893 114.554 0.114 0.000 2.708 362 T HA -0.111 4.239 4.350 -0.000 0.000 0.266 362 T C 1.936 176.755 174.700 0.199 0.000 1.037 362 T CA 1.346 63.517 62.100 0.118 0.000 1.146 362 T CB -0.245 68.662 68.868 0.066 0.000 0.865 362 T HN 0.230 nan 8.240 nan 0.000 0.435 363 I N 0.859 121.532 120.570 0.173 0.000 2.163 363 I HA -0.178 3.992 4.170 -0.000 0.000 0.243 363 I C 2.482 178.710 176.117 0.186 0.000 1.085 363 I CA 1.138 62.544 61.300 0.176 0.000 1.347 363 I CB -0.551 37.532 38.000 0.138 0.000 1.044 363 I HN 0.104 nan 8.210 nan 0.000 0.408 364 V N 0.149 120.167 119.914 0.173 0.000 2.307 364 V HA -0.269 3.851 4.120 -0.000 0.000 0.245 364 V C 2.134 178.340 176.094 0.187 0.000 1.045 364 V CA 1.685 64.072 62.300 0.145 0.000 1.024 364 V CB -0.739 31.151 31.823 0.112 0.000 0.651 364 V HN 0.609 nan 8.190 nan 0.000 0.449 365 W N 0.766 122.105 121.300 0.064 0.000 2.335 365 W HA -0.223 4.437 4.660 0.000 0.000 0.311 365 W C 2.839 179.410 176.519 0.087 0.000 1.213 365 W CA 2.370 59.746 57.345 0.052 0.000 1.274 365 W CB -0.580 28.899 29.460 0.032 0.000 1.148 365 W HN 0.361 nan 8.180 nan 0.000 0.498 366 S N 0.081 116.073 115.700 0.487 0.000 2.368 366 S HA -0.055 4.415 4.470 -0.000 0.000 0.224 366 S C 2.076 176.951 174.600 0.460 0.000 1.029 366 S CA 1.857 60.369 58.200 0.520 0.000 0.988 366 S CB -0.860 62.658 63.200 0.530 0.000 0.838 366 S HN 0.276 nan 8.310 nan 0.000 0.462 367 G N 0.921 109.911 108.800 0.316 0.000 2.421 367 G HA2 -0.140 3.820 3.960 -0.000 0.000 0.216 367 G HA3 -0.140 3.820 3.960 -0.000 0.000 0.216 367 G C 1.481 176.539 174.900 0.262 0.000 1.171 367 G CA 1.151 46.407 45.100 0.260 0.000 0.775 367 G HN 0.459 nan 8.290 nan 0.000 0.543 368 V N 0.426 120.439 119.914 0.165 0.000 2.270 368 V HA -0.162 3.958 4.120 -0.000 0.000 0.245 368 V C 3.044 179.249 176.094 0.186 0.000 1.043 368 V CA 1.530 63.897 62.300 0.112 0.000 1.014 368 V CB -0.461 31.327 31.823 -0.058 0.000 0.645 368 V HN 0.240 nan 8.190 nan 0.000 0.447 369 V N 0.321 120.317 119.914 0.136 0.000 2.332 369 V HA -0.273 3.847 4.120 -0.000 0.000 0.248 369 V C 2.690 178.971 176.094 0.312 0.000 1.055 369 V CA 2.062 64.452 62.300 0.149 0.000 1.038 369 V CB -1.155 30.728 31.823 0.100 0.000 0.651 369 V HN 0.563 nan 8.190 nan 0.000 0.450 370 A N -0.422 122.700 122.820 0.504 0.000 1.877 370 A HA -0.240 4.080 4.320 -0.000 0.000 0.216 370 A C 2.113 179.980 177.584 0.472 0.000 1.186 370 A CA 2.010 54.382 52.037 0.558 0.000 0.620 370 A CB -0.752 18.580 19.000 0.554 0.000 0.822 370 A HN 0.510 nan 8.150 nan 0.000 0.443 371 F N 0.822 120.979 119.950 0.345 0.000 2.065 371 F HA -0.233 4.294 4.527 -0.000 0.000 0.298 371 F C 2.024 177.971 175.800 0.244 0.000 1.112 371 F CA 2.003 60.192 58.000 0.316 0.000 1.212 371 F CB -0.330 38.788 39.000 0.198 0.000 0.975 371 F HN 0.202 nan 8.300 nan 0.000 0.476 372 I N 0.163 120.895 120.570 0.269 0.000 2.163 372 I HA -0.300 3.870 4.170 -0.000 0.000 0.243 372 I C 2.781 178.922 176.117 0.040 0.000 1.085 372 I CA 1.550 62.914 61.300 0.106 0.000 1.347 372 I CB -1.434 36.633 38.000 0.112 0.000 1.044 372 I HN 0.348 nan 8.210 nan 0.000 0.408 373 G N 0.063 108.916 108.800 0.087 0.000 2.446 373 G HA2 -0.283 3.677 3.960 -0.000 0.000 0.217 373 G HA3 -0.283 3.677 3.960 -0.000 0.000 0.217 373 G C 1.452 176.438 174.900 0.145 0.000 1.168 373 G CA 0.818 45.964 45.100 0.077 0.000 0.771 373 G HN 0.274 nan 8.290 nan 0.000 0.551 374 Y N 1.073 121.512 120.300 0.232 0.000 2.242 374 Y HA 0.008 4.557 4.550 -0.000 0.000 0.291 374 Y C 2.819 178.656 175.900 -0.106 0.000 1.137 374 Y CA 1.110 59.213 58.100 0.006 0.000 1.181 374 Y CB -0.029 38.352 38.460 -0.132 0.000 0.989 374 Y HN 0.018 nan 8.280 nan 0.000 0.527 375 K N -0.103 120.254 120.400 -0.072 0.000 2.025 375 K HA -0.128 4.192 4.320 -0.000 0.000 0.207 375 K C 2.164 178.736 176.600 -0.046 0.000 1.049 375 K CA 0.826 57.020 56.287 -0.154 0.000 0.933 375 K CB -1.052 31.258 32.500 -0.317 0.000 0.714 375 K HN 0.279 nan 8.250 nan 0.000 0.438 376 L N 1.336 122.549 121.223 -0.016 0.000 2.012 376 L HA -0.154 4.186 4.340 -0.000 0.000 0.210 376 L C 2.181 179.068 176.870 0.028 0.000 1.073 376 L CA 2.147 56.992 54.840 0.007 0.000 0.748 376 L CB -0.877 41.190 42.059 0.013 0.000 0.891 376 L HN 0.166 nan 8.230 nan 0.000 0.431 377 A N -0.930 121.925 122.820 0.058 0.000 1.877 377 A HA -0.265 4.055 4.320 -0.000 0.000 0.216 377 A C 2.136 179.749 177.584 0.049 0.000 1.186 377 A CA 1.870 53.952 52.037 0.074 0.000 0.620 377 A CB -1.036 18.039 19.000 0.126 0.000 0.822 377 A HN 0.564 nan 8.150 nan 0.000 0.443 378 D N 0.062 120.482 120.400 0.034 0.000 2.092 378 D HA -0.128 4.512 4.640 -0.000 0.000 0.193 378 D C 1.857 178.158 176.300 0.003 0.000 0.994 378 D CA 1.379 55.384 54.000 0.007 0.000 0.828 378 D CB -0.311 40.477 40.800 -0.021 0.000 0.963 378 D HN 0.402 nan 8.370 nan 0.000 0.450 379 L N 0.007 121.228 121.223 -0.002 0.000 2.191 379 L HA -0.128 4.212 4.340 -0.000 0.000 0.212 379 L C 2.484 179.358 176.870 0.007 0.000 1.103 379 L CA 1.558 56.398 54.840 -0.001 0.000 0.769 379 L CB -0.660 41.397 42.059 -0.004 0.000 0.908 379 L HN 0.234 nan 8.230 nan 0.000 0.438 380 T N -3.219 111.344 114.554 0.015 0.000 2.898 380 T HA -0.028 4.322 4.350 -0.000 0.000 0.241 380 T C 1.458 176.171 174.700 0.023 0.000 1.024 380 T CA 1.016 63.127 62.100 0.019 0.000 1.174 380 T CB -0.377 68.506 68.868 0.026 0.000 0.873 380 T HN 0.167 nan 8.240 nan 0.000 0.422 381 V N -2.033 117.900 119.914 0.031 0.000 3.645 381 V HA 0.678 4.798 4.120 -0.000 0.000 0.275 381 V C 0.968 177.080 176.094 0.029 0.000 1.356 381 V CA 0.080 62.400 62.300 0.034 0.000 1.051 381 V CB -0.646 31.207 31.823 0.050 0.000 0.828 381 V HN 1.119 nan 8.190 nan 0.000 0.441 382 G N 0.267 109.081 108.800 0.023 0.000 3.039 382 G HA2 -0.119 3.841 3.960 -0.000 0.000 0.686 382 G HA3 -0.119 3.841 3.960 -0.000 0.000 0.686 382 G C -0.412 174.498 174.900 0.017 0.000 1.066 382 G CA -0.043 45.065 45.100 0.013 0.000 0.774 382 G HN 0.309 nan 8.290 nan 0.000 0.591 383 L N 1.898 123.121 121.223 0.001 0.000 1.972 383 L HA 0.247 4.587 4.340 -0.000 0.000 0.209 383 L C 2.163 179.019 176.870 -0.024 0.000 1.125 383 L CA 0.635 55.471 54.840 -0.007 0.000 0.784 383 L CB -0.278 41.760 42.059 -0.036 0.000 0.902 383 L HN 0.779 nan 8.230 nan 0.000 0.444 384 R N 0.819 121.289 120.500 -0.050 0.000 2.538 384 R HA -0.020 4.320 4.340 -0.000 0.000 0.273 384 R C -0.353 175.929 176.300 -0.029 0.000 0.967 384 R CA -0.310 55.759 56.100 -0.053 0.000 1.101 384 R CB 0.339 30.601 30.300 -0.063 0.000 0.908 384 R HN 0.023 nan 8.270 nan 0.000 0.411 385 V N 0.000 119.898 119.914 -0.026 0.000 2.409 385 V HA 0.000 4.120 4.120 -0.000 0.000 0.244 385 V CA 0.000 62.294 62.300 -0.010 0.000 1.235 385 V CB 0.000 31.818 31.823 -0.008 0.000 1.184 385 V HN 0.000 nan 8.190 nan 0.000 0.556