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 1euc_1_B DATA FIRST_RESID 0 DATA SEQUENCE MVNLQEYQSK KLMSDNGVKV QRFFVADTAN EALEAAKRLN AKEIVLKAQI DATA SEQUENCE LAGGRGKGVF SSGLKGGVHL TKDPEVVGQL AKQMIGYNLA TKQTPKEGVK DATA SEQUENCE VNKVMVAEAL DISRETYLAI LMDRSCNGPV LVGSPQGGVD IEEVAASNPE DATA SEQUENCE LIFKEQIDII EGIKDSQAQR MAENLGFLGP LQNQAADQIK KLYNLFLKID DATA SEQUENCE ATQVEVNPFG ETPEGQVVCF DAKINFDDNA EFRQKDIFAM DDKSENEPIE DATA SEQUENCE NEAAKYDLKY IGLDGNIACF VNGAGLAMAT CDIIFLNGGK PANFLDLGGG DATA SEQUENCE VKESQVYQAF KLLTADPKVE AILVNIFGGI VNXAIIANGI TKACRELELK DATA SEQUENCE VPLVVRLEGT NVHEAQNILT NSGLPITSAV DLEDAAKKAV ASVT 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 0 M HA 0.000 nan 4.480 nan 0.000 0.227 0 M C 0.000 176.280 176.300 -0.034 0.000 1.140 0 M CA 0.000 55.317 55.300 0.028 0.000 0.988 0 M CB 0.000 32.618 32.600 0.031 0.000 1.302 1 V N 2.949 122.789 119.914 -0.123 0.000 2.572 1 V HA 0.221 4.385 4.120 0.073 0.000 0.291 1 V C -0.188 175.837 176.094 -0.114 0.000 1.039 1 V CA -0.202 61.936 62.300 -0.270 0.000 1.055 1 V CB 0.675 32.068 31.823 -0.717 0.000 0.969 1 V HN 0.606 nan 8.190 nan 0.000 0.482 2 N N 5.467 124.094 118.700 -0.121 0.000 2.479 2 N HA 0.510 5.294 4.740 0.073 0.000 0.261 2 N C -0.958 174.500 175.510 -0.086 0.000 0.979 2 N CA -0.316 52.696 53.050 -0.065 0.000 0.930 2 N CB 1.968 40.428 38.487 -0.045 0.000 1.172 2 N HN 0.506 nan 8.380 nan 0.000 0.499 3 L N 1.636 122.823 121.223 -0.061 0.000 2.325 3 L HA 0.363 4.746 4.340 0.073 0.000 0.278 3 L C 0.687 177.494 176.870 -0.104 0.000 1.023 3 L CA -0.943 53.836 54.840 -0.103 0.000 0.811 3 L CB 1.453 43.470 42.059 -0.071 0.000 1.249 3 L HN 0.192 nan 8.230 nan 0.000 0.431 4 Q N 1.613 121.312 119.800 -0.169 0.000 2.454 4 Q HA -0.036 4.348 4.340 0.073 0.000 0.247 4 Q C 0.875 176.784 176.000 -0.151 0.000 1.028 4 Q CA 0.137 55.871 55.803 -0.116 0.000 0.910 4 Q CB 0.995 29.674 28.738 -0.099 0.000 1.276 4 Q HN 0.646 nan 8.270 nan 0.000 0.489 5 E N 1.544 121.718 120.200 -0.043 0.000 2.097 5 E HA -0.273 4.120 4.350 0.073 0.000 0.196 5 E C 1.615 178.139 176.600 -0.126 0.000 1.000 5 E CA 1.918 58.280 56.400 -0.063 0.000 0.804 5 E CB -0.184 29.507 29.700 -0.015 0.000 0.740 5 E HN 0.696 nan 8.360 nan 0.000 0.454 6 Y N 0.137 120.358 120.300 -0.131 0.000 2.352 6 Y HA -0.072 4.523 4.550 0.074 0.000 0.292 6 Y C 1.957 177.825 175.900 -0.053 0.000 1.136 6 Y CA 1.194 59.186 58.100 -0.180 0.000 1.227 6 Y CB -0.455 38.011 38.460 0.010 0.000 0.991 6 Y HN 0.031 nan 8.280 nan 0.000 0.545 7 Q N 0.786 120.183 119.800 -0.672 0.000 2.096 7 Q HA -0.095 4.289 4.340 0.073 0.000 0.197 7 Q C 2.511 178.404 176.000 -0.179 0.000 0.964 7 Q CA 1.754 57.262 55.803 -0.492 0.000 0.838 7 Q CB -0.139 28.254 28.738 -0.575 0.000 0.906 7 Q HN 0.687 nan 8.270 nan 0.000 0.444 8 S N 0.821 116.433 115.700 -0.146 0.000 2.406 8 S HA -0.061 4.452 4.470 0.073 0.000 0.228 8 S C 1.717 176.285 174.600 -0.052 0.000 1.020 8 S CA 0.695 58.862 58.200 -0.055 0.000 0.965 8 S CB -0.075 63.100 63.200 -0.041 0.000 0.798 8 S HN 0.186 nan 8.310 nan 0.000 0.488 9 K N 1.008 121.336 120.400 -0.120 0.000 2.103 9 K HA 0.073 4.437 4.320 0.073 0.000 0.204 9 K C 2.267 178.928 176.600 0.101 0.000 1.052 9 K CA 0.787 56.997 56.287 -0.128 0.000 0.945 9 K CB -0.091 32.113 32.500 -0.494 0.000 0.722 9 K HN 0.087 nan 8.250 nan 0.000 0.443 10 K N 1.387 121.921 120.400 0.223 0.000 2.057 10 K HA -0.117 4.247 4.320 0.073 0.000 0.207 10 K C 2.009 178.696 176.600 0.144 0.000 1.049 10 K CA 1.036 57.527 56.287 0.340 0.000 0.931 10 K CB -0.403 32.270 32.500 0.289 0.000 0.714 10 K HN 0.036 nan 8.250 nan 0.000 0.440 11 L N 1.038 122.310 121.223 0.081 0.000 2.042 11 L HA -0.116 4.268 4.340 0.073 0.000 0.210 11 L C 2.285 179.184 176.870 0.048 0.000 1.076 11 L CA 1.690 56.564 54.840 0.056 0.000 0.749 11 L CB -0.437 41.656 42.059 0.057 0.000 0.893 11 L HN 0.193 nan 8.230 nan 0.000 0.432 12 M N -1.505 118.121 119.600 0.043 0.000 2.123 12 M HA -0.154 4.370 4.480 0.073 0.000 0.263 12 M C 2.350 178.674 176.300 0.040 0.000 1.069 12 M CA 1.848 57.164 55.300 0.027 0.000 1.133 12 M CB -0.506 32.099 32.600 0.008 0.000 1.356 12 M HN 0.470 nan 8.290 nan 0.000 0.415 13 S N -0.044 115.703 115.700 0.078 0.000 2.383 13 S HA -0.145 4.368 4.470 0.073 0.000 0.227 13 S C 1.338 175.958 174.600 0.034 0.000 1.026 13 S CA 1.355 59.594 58.200 0.065 0.000 0.981 13 S CB -0.637 62.628 63.200 0.108 0.000 0.818 13 S HN 0.348 nan 8.310 nan 0.000 0.472 14 D N 2.089 122.513 120.400 0.040 0.000 2.351 14 D HA 0.026 4.710 4.640 0.073 0.000 0.216 14 D C 0.668 176.977 176.300 0.015 0.000 0.968 14 D CA 0.595 54.608 54.000 0.022 0.000 0.899 14 D CB -0.366 40.450 40.800 0.027 0.000 0.907 14 D HN 0.488 nan 8.370 nan 0.000 0.514 15 N N -0.607 118.103 118.700 0.016 0.000 2.338 15 N HA 0.170 4.953 4.740 0.073 0.000 0.251 15 N C 0.949 176.461 175.510 0.004 0.000 1.199 15 N CA 0.302 53.357 53.050 0.008 0.000 0.879 15 N CB 1.546 40.038 38.487 0.008 0.000 1.159 15 N HN 0.117 nan 8.380 nan 0.000 0.514 16 G N 0.209 109.012 108.800 0.004 0.000 2.179 16 G HA2 -0.281 3.723 3.960 0.073 0.000 0.260 16 G HA3 -0.281 3.723 3.960 0.073 0.000 0.260 16 G C 0.172 175.071 174.900 -0.001 0.000 0.977 16 G CA 0.196 45.296 45.100 0.000 0.000 0.641 16 G HN 0.207 nan 8.290 nan 0.000 0.533 17 V N 1.071 120.986 119.914 0.002 0.000 2.583 17 V HA 0.327 4.490 4.120 0.073 0.000 0.287 17 V C 1.038 177.131 176.094 -0.002 0.000 1.051 17 V CA -0.329 61.970 62.300 -0.001 0.000 1.010 17 V CB 1.635 33.455 31.823 -0.005 0.000 0.988 17 V HN 0.314 nan 8.190 nan 0.000 0.478 18 K N 3.949 124.341 120.400 -0.013 0.000 2.363 18 K HA 0.416 4.780 4.320 0.073 0.000 0.289 18 K C -0.468 176.092 176.600 -0.067 0.000 1.063 18 K CA -0.146 56.117 56.287 -0.039 0.000 0.967 18 K CB 0.531 32.993 32.500 -0.063 0.000 0.987 18 K HN 0.664 nan 8.250 nan 0.000 0.473 19 V N 0.588 120.480 119.914 -0.037 0.000 3.126 19 V HA 0.366 4.529 4.120 0.073 0.000 0.314 19 V C -0.518 175.571 176.094 -0.008 0.000 1.138 19 V CA -1.388 60.883 62.300 -0.048 0.000 1.034 19 V CB 1.558 33.392 31.823 0.018 0.000 1.075 19 V HN 0.652 nan 8.190 nan 0.000 0.442 20 Q N 0.940 120.743 119.800 0.005 0.000 2.315 20 Q HA 0.247 4.631 4.340 0.073 0.000 0.289 20 Q C -0.085 176.029 176.000 0.189 0.000 1.044 20 Q CA 0.234 56.086 55.803 0.081 0.000 0.920 20 Q CB 0.515 29.321 28.738 0.113 0.000 1.214 20 Q HN 0.519 nan 8.270 nan 0.000 0.392 21 R N 2.048 122.613 120.500 0.109 0.000 2.679 21 R HA 0.274 4.658 4.340 0.073 0.000 0.268 21 R C -0.454 175.897 176.300 0.084 0.000 1.044 21 R CA 0.361 56.475 56.100 0.022 0.000 1.105 21 R CB 0.205 30.476 30.300 -0.049 0.000 0.989 21 R HN 0.527 nan 8.270 nan 0.000 0.447 22 F N -0.256 119.492 119.950 -0.337 0.000 2.773 22 F HA 0.605 5.176 4.527 0.074 0.000 0.314 22 F C -1.843 173.558 175.800 -0.665 0.000 1.160 22 F CA -1.555 56.263 58.000 -0.303 0.000 0.920 22 F CB 0.967 39.904 39.000 -0.104 0.000 1.323 22 F HN 0.226 nan 8.300 nan 0.000 0.457 23 F N 0.924 120.928 119.950 0.090 0.000 2.629 23 F HA 0.743 5.315 4.527 0.075 0.000 0.316 23 F C -0.691 175.192 175.800 0.138 0.000 1.081 23 F CA -1.325 56.668 58.000 -0.012 0.000 0.954 23 F CB 2.093 41.070 39.000 -0.037 0.000 1.337 23 F HN 0.580 nan 8.300 nan 0.000 0.474 24 V N 1.608 121.653 119.914 0.219 0.000 2.555 24 V HA 0.933 5.097 4.120 0.073 0.000 0.302 24 V C -1.097 174.999 176.094 0.003 0.000 1.038 24 V CA -0.380 61.928 62.300 0.013 0.000 0.887 24 V CB 1.230 32.857 31.823 -0.326 0.000 0.991 24 V HN 0.989 nan 8.190 nan 0.000 0.434 25 A N 3.997 126.803 122.820 -0.023 0.000 2.374 25 A HA 0.751 5.115 4.320 0.073 0.000 0.317 25 A C -0.093 177.470 177.584 -0.036 0.000 1.094 25 A CA -0.497 51.532 52.037 -0.014 0.000 0.765 25 A CB 1.681 20.687 19.000 0.010 0.000 1.268 25 A HN 0.822 nan 8.150 nan 0.000 0.438 26 D N 0.115 120.498 120.400 -0.028 0.000 2.338 26 D HA 0.114 4.798 4.640 0.073 0.000 0.208 26 D C 0.833 177.123 176.300 -0.017 0.000 0.997 26 D CA 1.870 55.856 54.000 -0.023 0.000 0.880 26 D CB 0.546 41.335 40.800 -0.018 0.000 0.980 26 D HN 0.724 nan 8.370 nan 0.000 0.509 27 T N -3.227 111.317 114.554 -0.017 0.000 2.916 27 T HA 0.682 5.076 4.350 0.073 0.000 0.292 27 T C 1.153 175.843 174.700 -0.016 0.000 1.055 27 T CA -0.311 61.778 62.100 -0.017 0.000 1.009 27 T CB 2.218 71.075 68.868 -0.019 0.000 1.118 27 T HN -0.145 nan 8.240 nan 0.000 0.497 28 A N 1.641 124.452 122.820 -0.015 0.000 1.883 28 A HA -0.143 4.221 4.320 0.073 0.000 0.217 28 A C 2.275 179.847 177.584 -0.020 0.000 1.186 28 A CA 1.949 53.976 52.037 -0.017 0.000 0.624 28 A CB -1.309 17.682 19.000 -0.015 0.000 0.822 28 A HN 0.952 nan 8.150 nan 0.000 0.444 29 N N -0.418 118.269 118.700 -0.021 0.000 2.069 29 N HA -0.192 4.592 4.740 0.073 0.000 0.191 29 N C 1.766 177.257 175.510 -0.032 0.000 1.031 29 N CA 1.818 54.853 53.050 -0.026 0.000 0.852 29 N CB -0.207 38.264 38.487 -0.025 0.000 1.018 29 N HN 0.664 nan 8.380 nan 0.000 0.423 30 E N 0.175 120.356 120.200 -0.032 0.000 2.110 30 E HA -0.119 4.274 4.350 0.073 0.000 0.193 30 E C 1.968 178.547 176.600 -0.035 0.000 0.988 30 E CA 0.901 57.276 56.400 -0.041 0.000 0.804 30 E CB -0.093 29.588 29.700 -0.033 0.000 0.745 30 E HN 0.426 nan 8.360 nan 0.000 0.458 31 A N 1.098 123.908 122.820 -0.016 0.000 1.908 31 A HA -0.204 4.160 4.320 0.073 0.000 0.218 31 A C 2.116 179.696 177.584 -0.005 0.000 1.181 31 A CA 1.174 53.213 52.037 0.003 0.000 0.627 31 A CB -0.588 18.413 19.000 0.003 0.000 0.818 31 A HN 0.250 nan 8.150 nan 0.000 0.445 32 L N -0.095 121.116 121.223 -0.020 0.000 1.955 32 L HA -0.175 4.208 4.340 0.073 0.000 0.213 32 L C 2.260 179.107 176.870 -0.039 0.000 1.072 32 L CA 2.584 57.410 54.840 -0.024 0.000 0.755 32 L CB -0.805 41.237 42.059 -0.028 0.000 0.888 32 L HN 0.359 nan 8.230 nan 0.000 0.432 33 E N 0.085 120.249 120.200 -0.061 0.000 2.118 33 E HA -0.222 4.172 4.350 0.073 0.000 0.195 33 E C 2.179 178.691 176.600 -0.145 0.000 0.992 33 E CA 1.410 57.752 56.400 -0.096 0.000 0.804 33 E CB -0.675 28.960 29.700 -0.109 0.000 0.741 33 E HN 0.661 nan 8.360 nan 0.000 0.458 34 A N 1.336 124.071 122.820 -0.141 0.000 1.898 34 A HA -0.055 4.309 4.320 0.073 0.000 0.216 34 A C 2.439 180.001 177.584 -0.036 0.000 1.181 34 A CA 2.031 53.951 52.037 -0.194 0.000 0.620 34 A CB -0.614 18.366 19.000 -0.033 0.000 0.819 34 A HN 0.271 nan 8.150 nan 0.000 0.442 35 A N -0.177 122.653 122.820 0.017 0.000 1.940 35 A HA -0.194 4.170 4.320 0.073 0.000 0.219 35 A C 2.108 179.710 177.584 0.030 0.000 1.176 35 A CA 1.957 54.027 52.037 0.054 0.000 0.631 35 A CB -0.428 18.596 19.000 0.040 0.000 0.814 35 A HN 0.563 nan 8.150 nan 0.000 0.446 36 K N -0.679 119.713 120.400 -0.013 0.000 2.026 36 K HA -0.105 4.259 4.320 0.073 0.000 0.208 36 K C 2.302 178.888 176.600 -0.023 0.000 1.048 36 K CA 1.435 57.711 56.287 -0.019 0.000 0.929 36 K CB -0.218 32.258 32.500 -0.039 0.000 0.713 36 K HN 0.377 nan 8.250 nan 0.000 0.439 37 R N 0.834 121.285 120.500 -0.082 0.000 2.117 37 R HA -0.123 4.260 4.340 0.073 0.000 0.243 37 R C 2.317 178.649 176.300 0.054 0.000 1.143 37 R CA 1.136 57.179 56.100 -0.095 0.000 0.968 37 R CB -0.490 29.597 30.300 -0.355 0.000 0.863 37 R HN 0.213 nan 8.270 nan 0.000 0.444 38 L N 0.779 122.085 121.223 0.139 0.000 2.127 38 L HA -0.167 4.217 4.340 0.073 0.000 0.211 38 L C 0.239 177.180 176.870 0.118 0.000 1.089 38 L CA 0.776 55.744 54.840 0.212 0.000 0.757 38 L CB -0.457 41.729 42.059 0.212 0.000 0.899 38 L HN 0.357 nan 8.230 nan 0.000 0.434 39 N N -0.016 118.729 118.700 0.074 0.000 2.725 39 N HA -0.154 4.630 4.740 0.073 0.000 0.251 39 N C -0.207 175.338 175.510 0.058 0.000 1.031 39 N CA 0.844 53.926 53.050 0.053 0.000 0.720 39 N CB -0.859 37.656 38.487 0.047 0.000 0.930 39 N HN 0.391 nan 8.380 nan 0.000 0.543 40 A N 0.032 122.891 122.820 0.064 0.000 2.320 40 A HA 0.497 4.861 4.320 0.073 0.000 0.334 40 A C 1.318 178.932 177.584 0.051 0.000 1.147 40 A CA -0.224 51.851 52.037 0.063 0.000 0.820 40 A CB 1.118 20.166 19.000 0.079 0.000 1.218 40 A HN 0.306 nan 8.150 nan 0.000 0.482 41 K N 0.741 121.168 120.400 0.046 0.000 2.026 41 K HA -0.075 4.288 4.320 0.073 0.000 0.208 41 K C 0.531 177.156 176.600 0.042 0.000 1.048 41 K CA 1.807 58.117 56.287 0.039 0.000 0.929 41 K CB 0.019 32.541 32.500 0.035 0.000 0.713 41 K HN 0.639 nan 8.250 nan 0.000 0.439 42 E N 0.348 120.578 120.200 0.050 0.000 2.272 42 E HA 0.413 4.807 4.350 0.073 0.000 0.269 42 E C -1.333 175.307 176.600 0.067 0.000 0.877 42 E CA -0.769 55.662 56.400 0.053 0.000 0.755 42 E CB 1.459 31.187 29.700 0.047 0.000 1.192 42 E HN 0.228 nan 8.360 nan 0.000 0.422 43 I N 3.397 124.009 120.570 0.069 0.000 2.493 43 I HA 0.398 4.612 4.170 0.073 0.000 0.298 43 I C -0.705 175.466 176.117 0.089 0.000 0.998 43 I CA -1.234 60.117 61.300 0.085 0.000 1.137 43 I CB 1.935 39.985 38.000 0.083 0.000 1.310 43 I HN 0.274 nan 8.210 nan 0.000 0.445 44 V N 5.896 125.871 119.914 0.101 0.000 2.448 44 V HA 0.385 4.548 4.120 0.073 0.000 0.295 44 V C -0.496 175.667 176.094 0.114 0.000 1.025 44 V CA -0.705 61.656 62.300 0.101 0.000 0.859 44 V CB 1.884 33.763 31.823 0.092 0.000 0.988 44 V HN 0.412 nan 8.190 nan 0.000 0.431 45 L N 5.645 126.942 121.223 0.124 0.000 2.287 45 L HA 0.646 5.030 4.340 0.073 0.000 0.287 45 L C -0.401 176.556 176.870 0.144 0.000 1.022 45 L CA -0.132 54.785 54.840 0.129 0.000 0.814 45 L CB 0.949 43.081 42.059 0.122 0.000 1.217 45 L HN 0.653 nan 8.230 nan 0.000 0.420 46 K N 4.811 125.288 120.400 0.129 0.000 2.471 46 K HA 0.760 5.124 4.320 0.073 0.000 0.252 46 K C -0.734 175.954 176.600 0.147 0.000 0.938 46 K CA -0.756 55.611 56.287 0.134 0.000 0.796 46 K CB 1.935 34.494 32.500 0.097 0.000 1.161 46 K HN 0.731 nan 8.250 nan 0.000 0.425 47 A N 2.807 125.747 122.820 0.200 0.000 2.477 47 A HA 0.080 4.443 4.320 0.073 0.000 0.246 47 A C -0.237 177.444 177.584 0.162 0.000 1.078 47 A CA -0.112 52.061 52.037 0.226 0.000 0.770 47 A CB 0.223 19.453 19.000 0.383 0.000 1.011 47 A HN 0.550 nan 8.150 nan 0.000 0.494 48 Q N 1.731 121.621 119.800 0.149 0.000 2.456 48 Q HA 0.469 4.853 4.340 0.073 0.000 0.234 48 Q C -0.455 175.625 176.000 0.133 0.000 1.061 48 Q CA 0.197 56.093 55.803 0.154 0.000 0.896 48 Q CB 0.485 29.348 28.738 0.208 0.000 1.233 48 Q HN 0.721 nan 8.270 nan 0.000 0.506 49 I N -2.092 118.536 120.570 0.098 0.000 3.074 49 I HA 0.393 4.606 4.170 0.073 0.000 0.310 49 I C 0.272 176.418 176.117 0.047 0.000 1.153 49 I CA -0.997 60.343 61.300 0.066 0.000 0.993 49 I CB 1.573 39.596 38.000 0.038 0.000 1.237 49 I HN 0.237 nan 8.210 nan 0.000 0.443 50 L N 2.221 123.463 121.223 0.031 0.000 2.270 50 L HA 0.307 4.691 4.340 0.073 0.000 0.210 50 L C 1.633 178.509 176.870 0.010 0.000 1.104 50 L CA 0.646 55.496 54.840 0.017 0.000 0.804 50 L CB -0.367 41.697 42.059 0.009 0.000 0.937 50 L HN 0.828 nan 8.230 nan 0.000 0.450 51 A N 0.348 123.172 122.820 0.007 0.000 2.448 51 A HA 0.451 4.814 4.320 0.073 0.000 0.239 51 A C 0.694 178.277 177.584 -0.002 0.000 1.080 51 A CA 0.367 52.403 52.037 -0.000 0.000 0.779 51 A CB -0.056 18.939 19.000 -0.008 0.000 1.026 51 A HN 0.232 nan 8.150 nan 0.000 0.499 52 G N -1.238 107.560 108.800 -0.004 0.000 2.543 52 G HA2 0.544 4.548 3.960 0.073 0.000 0.290 52 G HA3 0.544 4.548 3.960 0.073 0.000 0.290 52 G C 1.008 175.900 174.900 -0.013 0.000 1.310 52 G CA -0.053 45.045 45.100 -0.004 0.000 1.025 52 G HN 2.270 nan 8.290 nan 0.000 0.502 53 G N -1.238 107.555 108.800 -0.013 0.000 2.147 53 G HA2 -0.271 3.733 3.960 0.073 0.000 0.244 53 G HA3 -0.271 3.733 3.960 0.073 0.000 0.244 53 G C 1.241 176.123 174.900 -0.029 0.000 1.005 53 G CA 0.810 45.898 45.100 -0.020 0.000 0.713 53 G HN 0.701 nan 8.290 nan 0.000 0.515 54 R N -0.055 120.432 120.500 -0.022 0.000 2.096 54 R HA -0.008 4.376 4.340 0.073 0.000 0.235 54 R C 3.010 179.299 176.300 -0.019 0.000 1.127 54 R CA 1.560 57.646 56.100 -0.023 0.000 0.968 54 R CB -0.494 29.812 30.300 0.011 0.000 0.861 54 R HN 0.454 nan 8.270 nan 0.000 0.440 55 G N 1.338 110.127 108.800 -0.019 0.000 2.476 55 G HA2 -0.266 3.738 3.960 0.073 0.000 0.218 55 G HA3 -0.266 3.738 3.960 0.073 0.000 0.218 55 G C 1.084 175.961 174.900 -0.039 0.000 1.164 55 G CA 0.716 45.795 45.100 -0.035 0.000 0.768 55 G HN 0.266 nan 8.290 nan 0.000 0.560 56 K N 0.727 121.108 120.400 -0.031 0.000 2.498 56 K HA 0.269 4.633 4.320 0.073 0.000 0.207 56 K C 1.121 177.704 176.600 -0.028 0.000 1.033 56 K CA -0.195 56.078 56.287 -0.025 0.000 1.138 56 K CB 0.983 33.470 32.500 -0.021 0.000 0.860 56 K HN 0.257 nan 8.250 nan 0.000 0.490 57 G N 0.347 109.119 108.800 -0.048 0.000 2.588 57 G HA2 0.406 4.409 3.960 0.073 0.000 0.281 57 G HA3 0.406 4.409 3.960 0.073 0.000 0.281 57 G C -0.739 174.107 174.900 -0.090 0.000 1.236 57 G CA -0.338 44.707 45.100 -0.092 0.000 0.969 57 G HN 0.007 nan 8.290 nan 0.000 0.504 58 V N -0.154 119.671 119.914 -0.149 0.000 2.760 58 V HA 0.432 4.596 4.120 0.073 0.000 0.309 58 V C -1.041 174.954 176.094 -0.166 0.000 1.077 58 V CA -0.627 61.632 62.300 -0.069 0.000 0.910 58 V CB 1.685 33.503 31.823 -0.009 0.000 1.008 58 V HN 0.546 nan 8.190 nan 0.000 0.424 59 F N 1.675 121.636 119.950 0.018 0.000 2.370 59 F HA 0.306 4.877 4.527 0.072 0.000 0.324 59 F C 1.750 177.544 175.800 -0.010 0.000 1.116 59 F CA 0.018 58.029 58.000 0.019 0.000 1.123 59 F CB 1.516 40.508 39.000 -0.012 0.000 1.238 59 F HN 0.578 nan 8.300 nan 0.000 0.536 60 S N -1.476 114.358 115.700 0.224 0.000 2.603 60 S HA -0.101 4.413 4.470 0.073 0.000 0.229 60 S C 1.440 176.075 174.600 0.057 0.000 0.972 60 S CA 0.629 58.924 58.200 0.157 0.000 0.935 60 S CB -0.811 62.527 63.200 0.229 0.000 0.769 60 S HN 0.635 nan 8.310 nan 0.000 0.536 61 S N 0.040 115.624 115.700 -0.193 0.000 2.528 61 S HA 0.489 5.002 4.470 0.073 0.000 0.219 61 S C 1.656 176.110 174.600 -0.244 0.000 0.985 61 S CA 0.403 58.245 58.200 -0.597 0.000 0.914 61 S CB -0.300 62.077 63.200 -1.372 0.000 0.776 61 S HN 1.246 nan 8.310 nan 0.000 0.526 62 G N 0.612 109.361 108.800 -0.085 0.000 2.213 62 G HA2 -0.218 3.785 3.960 0.073 0.000 0.226 62 G HA3 -0.218 3.785 3.960 0.073 0.000 0.226 62 G C -0.094 174.811 174.900 0.009 0.000 0.992 62 G CA -0.079 45.005 45.100 -0.026 0.000 0.632 62 G HN 0.684 nan 8.290 nan 0.000 0.511 63 L N 2.126 123.348 121.223 -0.002 0.000 2.513 63 L HA 0.542 4.925 4.340 0.073 0.000 0.272 63 L C 0.459 177.475 176.870 0.243 0.000 1.187 63 L CA 0.143 55.011 54.840 0.047 0.000 0.895 63 L CB 0.295 42.276 42.059 -0.129 0.000 1.147 63 L HN 0.200 nan 8.230 nan 0.000 0.483 64 K N 4.752 125.274 120.400 0.204 0.000 2.183 64 K HA 0.704 5.067 4.320 0.073 0.000 0.274 64 K C -0.110 176.670 176.600 0.300 0.000 1.009 64 K CA -0.229 56.186 56.287 0.214 0.000 0.888 64 K CB 1.250 33.822 32.500 0.119 0.000 1.078 64 K HN 0.986 nan 8.250 nan 0.000 0.459 65 G N 0.883 109.824 108.800 0.235 0.000 3.209 65 G HA2 -0.104 3.900 3.960 0.073 0.000 0.686 65 G HA3 -0.104 3.900 3.960 0.073 0.000 0.686 65 G C 0.298 175.405 174.900 0.345 0.000 1.065 65 G CA -0.526 44.640 45.100 0.111 0.000 0.812 65 G HN 0.757 nan 8.290 nan 0.000 0.573 66 G N -0.606 108.314 108.800 0.200 0.000 3.088 66 G HA2 0.493 4.497 3.960 0.073 0.000 0.217 66 G HA3 0.493 4.497 3.960 0.073 0.000 0.217 66 G C 0.298 175.335 174.900 0.228 0.000 1.159 66 G CA 0.809 46.121 45.100 0.353 0.000 0.760 66 G HN 1.394 nan 8.290 nan 0.000 0.550 67 V N 1.801 121.727 119.914 0.021 0.000 2.482 67 V HA 0.428 4.591 4.120 0.073 0.000 0.295 67 V C -1.070 174.896 176.094 -0.213 0.000 1.026 67 V CA -0.967 61.327 62.300 -0.010 0.000 0.856 67 V CB 1.477 33.288 31.823 -0.020 0.000 1.001 67 V HN 0.267 nan 8.190 nan 0.000 0.424 68 H N 4.590 123.697 119.070 0.061 0.000 2.690 68 H HA 0.653 5.253 4.556 0.073 0.000 0.368 68 H C -1.057 174.295 175.328 0.039 0.000 1.150 68 H CA -0.600 55.474 56.048 0.043 0.000 1.174 68 H CB 2.922 32.703 29.762 0.031 0.000 1.684 68 H HN 0.397 nan 8.280 nan 0.000 0.538 69 L N 1.093 122.399 121.223 0.138 0.000 2.334 69 L HA 0.497 4.881 4.340 0.073 0.000 0.276 69 L C 0.175 177.098 176.870 0.089 0.000 1.014 69 L CA -0.324 54.572 54.840 0.093 0.000 0.815 69 L CB 2.275 44.367 42.059 0.056 0.000 1.268 69 L HN 0.585 nan 8.230 nan 0.000 0.428 70 T N 0.339 114.935 114.554 0.071 0.000 2.827 70 T HA 0.267 4.661 4.350 0.073 0.000 0.328 70 T C -0.221 174.506 174.700 0.046 0.000 1.598 70 T CA -0.551 61.581 62.100 0.054 0.000 1.043 70 T CB 1.576 70.472 68.868 0.047 0.000 1.447 70 T HN 0.564 nan 8.240 nan 0.000 0.491 71 K N 0.954 121.375 120.400 0.035 0.000 2.367 71 K HA 0.258 4.621 4.320 0.073 0.000 0.194 71 K C -0.252 176.364 176.600 0.026 0.000 1.027 71 K CA -0.017 56.289 56.287 0.032 0.000 1.075 71 K CB 0.381 32.896 32.500 0.026 0.000 0.845 71 K HN 0.419 nan 8.250 nan 0.000 0.529 72 D N 0.114 120.527 120.400 0.022 0.000 2.392 72 D HA 0.160 4.844 4.640 0.073 0.000 0.228 72 D C -2.107 174.200 176.300 0.012 0.000 1.074 72 D CA -2.676 51.333 54.000 0.014 0.000 0.838 72 D CB 1.611 42.416 40.800 0.008 0.000 1.067 72 D HN -0.230 nan 8.370 nan 0.000 0.511 73 P HA -0.180 nan 4.420 nan 0.000 0.217 73 P C 0.720 178.019 177.300 -0.002 0.000 1.151 73 P CA 1.299 64.404 63.100 0.009 0.000 0.849 73 P CB 0.310 32.012 31.700 0.004 0.000 0.787 74 E N -0.968 119.228 120.200 -0.007 0.000 2.204 74 E HA -0.084 4.310 4.350 0.073 0.000 0.194 74 E C 1.871 178.459 176.600 -0.020 0.000 0.989 74 E CA 0.689 57.081 56.400 -0.014 0.000 0.824 74 E CB -0.374 29.318 29.700 -0.013 0.000 0.756 74 E HN 0.081 nan 8.360 nan 0.000 0.477 75 V N 0.710 120.614 119.914 -0.017 0.000 2.427 75 V HA -0.201 3.963 4.120 0.073 0.000 0.248 75 V C 2.268 178.339 176.094 -0.039 0.000 1.051 75 V CA 1.056 63.338 62.300 -0.030 0.000 1.048 75 V CB -0.205 31.606 31.823 -0.020 0.000 0.666 75 V HN 0.136 nan 8.190 nan 0.000 0.456 76 V N 1.108 121.012 119.914 -0.017 0.000 2.332 76 V HA -0.217 3.947 4.120 0.073 0.000 0.248 76 V C 2.617 178.694 176.094 -0.029 0.000 1.055 76 V CA 2.302 64.595 62.300 -0.012 0.000 1.038 76 V CB -1.348 30.485 31.823 0.016 0.000 0.651 76 V HN 0.612 nan 8.190 nan 0.000 0.450 77 G N -1.209 107.575 108.800 -0.026 0.000 2.421 77 G HA2 -0.259 3.745 3.960 0.073 0.000 0.216 77 G HA3 -0.259 3.745 3.960 0.073 0.000 0.216 77 G C 1.486 176.360 174.900 -0.044 0.000 1.171 77 G CA 0.799 45.881 45.100 -0.030 0.000 0.775 77 G HN 0.547 nan 8.290 nan 0.000 0.543 78 Q N -0.202 119.567 119.800 -0.052 0.000 2.050 78 Q HA 0.051 4.434 4.340 0.073 0.000 0.202 78 Q C 2.682 178.620 176.000 -0.103 0.000 0.980 78 Q CA 0.966 56.730 55.803 -0.065 0.000 0.840 78 Q CB -0.284 28.417 28.738 -0.063 0.000 0.898 78 Q HN 0.417 nan 8.270 nan 0.000 0.424 79 L N 0.164 121.306 121.223 -0.135 0.000 2.046 79 L HA -0.176 4.208 4.340 0.073 0.000 0.208 79 L C 2.538 179.287 176.870 -0.201 0.000 1.077 79 L CA 0.917 55.624 54.840 -0.222 0.000 0.747 79 L CB -0.685 41.198 42.059 -0.294 0.000 0.896 79 L HN 0.238 nan 8.230 nan 0.000 0.432 80 A N -0.013 122.735 122.820 -0.121 0.000 1.940 80 A HA -0.255 4.108 4.320 0.073 0.000 0.219 80 A C 2.407 179.950 177.584 -0.068 0.000 1.176 80 A CA 1.831 53.816 52.037 -0.086 0.000 0.631 80 A CB -0.472 18.506 19.000 -0.037 0.000 0.814 80 A HN 0.302 nan 8.150 nan 0.000 0.446 81 K N -0.711 119.660 120.400 -0.050 0.000 2.209 81 K HA -0.139 4.224 4.320 0.073 0.000 0.204 81 K C 1.191 177.825 176.600 0.056 0.000 1.048 81 K CA 1.245 57.534 56.287 0.004 0.000 0.940 81 K CB -0.041 32.456 32.500 -0.004 0.000 0.729 81 K HN 0.429 nan 8.250 nan 0.000 0.451 82 Q N -0.680 119.066 119.800 -0.088 0.000 2.322 82 Q HA 0.072 4.455 4.340 0.073 0.000 0.203 82 Q C 1.169 176.948 176.000 -0.368 0.000 0.923 82 Q CA 0.362 56.026 55.803 -0.231 0.000 0.949 82 Q CB 0.598 29.145 28.738 -0.318 0.000 1.039 82 Q HN 0.445 nan 8.270 nan 0.000 0.496 83 M N -1.027 118.456 119.600 -0.194 0.000 2.724 83 M HA 0.222 4.746 4.480 0.073 0.000 0.231 83 M C 0.492 176.876 176.300 0.139 0.000 1.568 83 M CA 0.109 55.196 55.300 -0.355 0.000 1.153 83 M CB 0.835 33.158 32.600 -0.462 0.000 1.345 83 M HN -0.023 nan 8.290 nan 0.000 0.555 84 I N 1.639 122.262 120.570 0.089 0.000 2.618 84 I HA 0.040 4.254 4.170 0.073 0.000 0.284 84 I C 1.307 177.396 176.117 -0.045 0.000 1.146 84 I CA 0.829 62.162 61.300 0.054 0.000 1.425 84 I CB 0.270 38.277 38.000 0.012 0.000 1.383 84 I HN 0.733 nan 8.210 nan 0.000 0.562 85 G N 4.448 113.212 108.800 -0.059 0.000 2.225 85 G HA2 -0.290 3.713 3.960 0.073 0.000 0.254 85 G HA3 -0.290 3.713 3.960 0.073 0.000 0.254 85 G C -0.009 174.725 174.900 -0.277 0.000 0.988 85 G CA -0.296 44.682 45.100 -0.203 0.000 0.625 85 G HN 0.533 nan 8.290 nan 0.000 0.527 86 Y N 0.457 120.829 120.300 0.120 0.000 2.480 86 Y HA 0.660 5.253 4.550 0.072 0.000 0.323 86 Y C 0.704 176.726 175.900 0.203 0.000 1.267 86 Y CA -0.975 57.228 58.100 0.172 0.000 1.336 86 Y CB 0.692 39.293 38.460 0.235 0.000 1.361 86 Y HN 0.065 nan 8.280 nan 0.000 0.518 87 N N 0.945 119.842 118.700 0.327 0.000 2.421 87 N HA 0.331 5.115 4.740 0.073 0.000 0.285 87 N C -1.695 173.835 175.510 0.034 0.000 1.027 87 N CA -0.557 52.585 53.050 0.153 0.000 0.918 87 N CB 1.113 39.654 38.487 0.090 0.000 1.152 87 N HN 0.363 nan 8.380 nan 0.000 0.485 88 L N 2.317 123.459 121.223 -0.134 0.000 2.265 88 L HA 0.724 5.108 4.340 0.073 0.000 0.289 88 L C -0.560 176.162 176.870 -0.246 0.000 1.033 88 L CA -0.774 53.783 54.840 -0.472 0.000 0.814 88 L CB 0.309 41.992 42.059 -0.626 0.000 1.203 88 L HN 0.593 nan 8.230 nan 0.000 0.423 89 A N 3.588 126.277 122.820 -0.220 0.000 2.305 89 A HA 0.819 5.182 4.320 0.073 0.000 0.322 89 A C 0.016 177.529 177.584 -0.120 0.000 1.187 89 A CA 0.136 52.101 52.037 -0.120 0.000 0.825 89 A CB 0.734 19.693 19.000 -0.069 0.000 1.164 89 A HN 0.830 nan 8.150 nan 0.000 0.498 90 T N -1.036 113.469 114.554 -0.081 0.000 2.831 90 T HA 0.437 4.831 4.350 0.073 0.000 0.287 90 T C 0.348 175.025 174.700 -0.039 0.000 1.070 90 T CA -0.724 61.338 62.100 -0.064 0.000 1.010 90 T CB 1.162 69.995 68.868 -0.060 0.000 1.264 90 T HN 0.423 nan 8.240 nan 0.000 0.532 91 K N 0.277 120.659 120.400 -0.029 0.000 2.665 91 K HA 0.047 4.410 4.320 0.073 0.000 0.196 91 K C 0.935 177.525 176.600 -0.016 0.000 1.021 91 K CA 0.547 56.823 56.287 -0.019 0.000 1.066 91 K CB -0.060 32.430 32.500 -0.016 0.000 0.849 91 K HN 0.567 nan 8.250 nan 0.000 0.500 92 Q N 0.129 119.918 119.800 -0.019 0.000 1.983 92 Q HA 0.011 4.395 4.340 0.073 0.000 0.204 92 Q C -0.717 175.276 176.000 -0.012 0.000 0.789 92 Q CA -0.106 55.689 55.803 -0.013 0.000 1.007 92 Q CB 1.072 29.803 28.738 -0.012 0.000 1.229 92 Q HN 0.225 nan 8.270 nan 0.000 0.431 93 T N -2.973 111.571 114.554 -0.016 0.000 2.888 93 T HA 0.687 5.081 4.350 0.073 0.000 0.288 93 T C -2.587 172.108 174.700 -0.008 0.000 1.063 93 T CA -1.655 60.437 62.100 -0.013 0.000 1.010 93 T CB 1.330 70.184 68.868 -0.024 0.000 1.214 93 T HN -0.175 nan 8.240 nan 0.000 0.533 94 P HA 0.280 nan 4.420 nan 0.000 0.274 94 P C 0.706 178.005 177.300 -0.003 0.000 1.264 94 P CA -0.591 62.510 63.100 0.001 0.000 0.795 94 P CB 0.511 32.215 31.700 0.006 0.000 1.064 95 K N 0.509 120.910 120.400 0.001 0.000 2.057 95 K HA -0.170 4.193 4.320 0.073 0.000 0.207 95 K C 1.433 178.033 176.600 -0.000 0.000 1.049 95 K CA 1.614 57.901 56.287 0.000 0.000 0.931 95 K CB -0.191 32.312 32.500 0.005 0.000 0.714 95 K HN 0.621 nan 8.250 nan 0.000 0.440 96 E N 0.913 121.116 120.200 0.005 0.000 2.494 96 E HA 0.115 4.509 4.350 0.073 0.000 0.193 96 E C 0.657 177.260 176.600 0.005 0.000 1.074 96 E CA 0.185 56.591 56.400 0.009 0.000 0.867 96 E CB -0.116 29.594 29.700 0.017 0.000 0.924 96 E HN 0.257 nan 8.360 nan 0.000 0.502 97 G N 0.297 109.091 108.800 -0.010 0.000 2.796 97 G HA2 -0.249 3.754 3.960 0.073 0.000 0.226 97 G HA3 -0.249 3.754 3.960 0.073 0.000 0.226 97 G C -0.513 174.382 174.900 -0.008 0.000 1.381 97 G CA -0.282 44.802 45.100 -0.026 0.000 0.867 97 G HN 0.206 nan 8.290 nan 0.000 0.552 98 V N 0.605 120.511 119.914 -0.014 0.000 2.495 98 V HA 0.554 4.717 4.120 0.073 0.000 0.298 98 V C 0.634 176.748 176.094 0.034 0.000 1.031 98 V CA -0.484 61.822 62.300 0.010 0.000 0.871 98 V CB 1.715 33.542 31.823 0.007 0.000 0.988 98 V HN 1.018 nan 8.190 nan 0.000 0.432 99 K N 3.251 123.679 120.400 0.047 0.000 2.489 99 K HA 0.209 4.572 4.320 0.073 0.000 0.278 99 K C -0.743 175.911 176.600 0.089 0.000 1.000 99 K CA 0.150 56.478 56.287 0.068 0.000 1.012 99 K CB 0.656 33.183 32.500 0.044 0.000 0.903 99 K HN 0.456 nan 8.250 nan 0.000 0.485 100 V N 6.146 126.144 119.914 0.140 0.000 2.333 100 V HA 0.133 4.297 4.120 0.073 0.000 0.274 100 V C 0.386 176.547 176.094 0.112 0.000 1.028 100 V CA -0.578 61.822 62.300 0.166 0.000 0.851 100 V CB 1.103 33.117 31.823 0.318 0.000 1.000 100 V HN 0.875 nan 8.190 nan 0.000 0.456 101 N N 3.550 122.299 118.700 0.081 0.000 2.356 101 N HA 0.161 4.944 4.740 0.073 0.000 0.178 101 N C 0.236 175.766 175.510 0.032 0.000 1.075 101 N CA 0.307 53.385 53.050 0.047 0.000 0.889 101 N CB 0.924 39.436 38.487 0.043 0.000 0.999 101 N HN 0.561 nan 8.380 nan 0.000 0.464 102 K N 0.382 120.806 120.400 0.040 0.000 2.508 102 K HA 0.467 4.830 4.320 0.073 0.000 0.260 102 K C -1.074 175.533 176.600 0.013 0.000 0.949 102 K CA -0.736 55.541 56.287 -0.015 0.000 0.834 102 K CB 3.317 35.747 32.500 -0.117 0.000 1.365 102 K HN -0.197 nan 8.250 nan 0.000 0.437 103 V N -1.260 118.649 119.914 -0.008 0.000 2.914 103 V HA 0.640 4.804 4.120 0.073 0.000 0.314 103 V C -0.696 175.413 176.094 0.024 0.000 1.084 103 V CA -1.064 61.258 62.300 0.038 0.000 0.963 103 V CB 1.862 33.719 31.823 0.056 0.000 1.025 103 V HN 0.877 nan 8.190 nan 0.000 0.432 104 M N 3.678 123.321 119.600 0.072 0.000 2.238 104 M HA 0.720 5.244 4.480 0.073 0.000 0.350 104 M C -1.530 174.858 176.300 0.146 0.000 1.138 104 M CA -0.520 54.849 55.300 0.116 0.000 1.040 104 M CB 1.609 34.273 32.600 0.107 0.000 1.639 104 M HN 0.688 nan 8.290 nan 0.000 0.451 105 V N 4.765 124.799 119.914 0.200 0.000 2.378 105 V HA 0.838 5.001 4.120 0.073 0.000 0.288 105 V C -0.328 175.909 176.094 0.239 0.000 1.016 105 V CA -0.561 61.854 62.300 0.192 0.000 0.840 105 V CB 0.876 32.807 31.823 0.181 0.000 0.994 105 V HN 0.959 nan 8.190 nan 0.000 0.431 106 A N 3.961 126.898 122.820 0.194 0.000 2.469 106 A HA 0.827 5.190 4.320 0.073 0.000 0.299 106 A C -0.275 177.401 177.584 0.154 0.000 1.098 106 A CA -0.803 51.353 52.037 0.198 0.000 0.737 106 A CB 1.331 20.441 19.000 0.183 0.000 1.312 106 A HN 0.901 nan 8.150 nan 0.000 0.414 107 E N 1.016 121.301 120.200 0.143 0.000 2.360 107 E HA 0.508 4.901 4.350 0.073 0.000 0.269 107 E C -0.009 176.663 176.600 0.120 0.000 1.022 107 E CA -0.212 56.259 56.400 0.118 0.000 0.887 107 E CB 1.096 30.858 29.700 0.104 0.000 0.990 107 E HN 0.747 nan 8.360 nan 0.000 0.426 108 A N 5.551 128.433 122.820 0.104 0.000 2.302 108 A HA 0.403 4.767 4.320 0.073 0.000 0.295 108 A C -0.308 177.340 177.584 0.107 0.000 1.235 108 A CA -0.665 51.432 52.037 0.100 0.000 0.876 108 A CB 0.116 19.160 19.000 0.074 0.000 1.133 108 A HN 0.659 nan 8.150 nan 0.000 0.533 109 L N 2.487 123.801 121.223 0.151 0.000 2.331 109 L HA 0.393 4.777 4.340 0.073 0.000 0.275 109 L C -0.407 176.520 176.870 0.095 0.000 1.022 109 L CA -1.036 53.912 54.840 0.181 0.000 0.812 109 L CB 1.618 43.894 42.059 0.361 0.000 1.257 109 L HN 0.598 nan 8.230 nan 0.000 0.435 110 D N 2.426 122.859 120.400 0.055 0.000 2.304 110 D HA 0.368 5.051 4.640 0.073 0.000 0.247 110 D C -0.227 176.010 176.300 -0.105 0.000 1.089 110 D CA 0.085 54.065 54.000 -0.033 0.000 0.910 110 D CB 2.265 43.059 40.800 -0.009 0.000 1.199 110 D HN 0.264 nan 8.370 nan 0.000 0.426 111 I N 1.677 122.104 120.570 -0.239 0.000 2.337 111 I HA -0.017 4.197 4.170 0.073 0.000 0.285 111 I C 1.369 177.398 176.117 -0.147 0.000 1.041 111 I CA -0.245 60.854 61.300 -0.335 0.000 1.199 111 I CB 0.999 38.654 38.000 -0.575 0.000 1.370 111 I HN 0.241 nan 8.210 nan 0.000 0.470 112 S N 4.882 120.547 115.700 -0.058 0.000 2.436 112 S HA 0.081 4.595 4.470 0.073 0.000 0.228 112 S C 0.889 175.449 174.600 -0.066 0.000 1.014 112 S CA 0.334 58.505 58.200 -0.049 0.000 0.950 112 S CB 0.103 63.291 63.200 -0.021 0.000 0.784 112 S HN 0.643 nan 8.310 nan 0.000 0.504 113 R N 0.548 121.008 120.500 -0.066 0.000 2.626 113 R HA 0.396 4.780 4.340 0.073 0.000 0.274 113 R C -1.985 174.276 176.300 -0.065 0.000 1.031 113 R CA -0.326 55.715 56.100 -0.098 0.000 0.898 113 R CB 1.706 31.897 30.300 -0.182 0.000 1.222 113 R HN 0.189 nan 8.270 nan 0.000 0.455 114 E N 1.947 122.115 120.200 -0.052 0.000 2.191 114 E HA 0.292 4.685 4.350 0.073 0.000 0.263 114 E C -0.855 175.784 176.600 0.064 0.000 0.881 114 E CA -0.705 55.711 56.400 0.026 0.000 0.757 114 E CB 2.331 32.043 29.700 0.021 0.000 1.147 114 E HN 0.657 nan 8.360 nan 0.000 0.414 115 T N -0.451 114.205 114.554 0.170 0.000 2.907 115 T HA 0.441 4.835 4.350 0.073 0.000 0.290 115 T C -1.175 173.748 174.700 0.371 0.000 1.066 115 T CA -0.760 61.488 62.100 0.247 0.000 1.012 115 T CB 1.110 70.154 68.868 0.293 0.000 1.184 115 T HN 0.422 nan 8.240 nan 0.000 0.522 116 Y N 1.020 121.446 120.300 0.211 0.000 2.352 116 Y HA 0.720 5.248 4.550 -0.037 0.000 0.339 116 Y C -1.399 174.590 175.900 0.148 0.000 0.992 116 Y CA -1.423 56.778 58.100 0.167 0.000 1.100 116 Y CB 1.409 39.932 38.460 0.106 0.000 1.192 116 Y HN 0.816 nan 8.280 nan 0.000 0.458 117 L N 5.824 126.743 121.223 -0.507 0.000 2.436 117 L HA 0.955 5.339 4.340 0.073 0.000 0.268 117 L C -1.664 174.767 176.870 -0.732 0.000 0.974 117 L CA -0.405 54.136 54.840 -0.498 0.000 0.826 117 L CB 1.858 43.559 42.059 -0.598 0.000 1.291 117 L HN 0.760 nan 8.230 nan 0.000 0.406 118 A N 5.389 127.918 122.820 -0.485 0.000 2.549 118 A HA 0.869 5.233 4.320 0.073 0.000 0.297 118 A C -1.557 175.876 177.584 -0.253 0.000 1.061 118 A CA -0.474 51.349 52.037 -0.356 0.000 0.690 118 A CB 1.418 20.283 19.000 -0.226 0.000 1.287 118 A HN 0.600 nan 8.150 nan 0.000 0.402 119 I N 2.295 122.698 120.570 -0.278 0.000 2.478 119 I HA 0.541 4.755 4.170 0.073 0.000 0.287 119 I C -0.988 174.871 176.117 -0.430 0.000 1.042 119 I CA -0.577 60.459 61.300 -0.440 0.000 1.067 119 I CB 1.580 39.208 38.000 -0.619 0.000 1.233 119 I HN 0.743 nan 8.210 nan 0.000 0.431 120 L N 3.129 124.163 121.223 -0.315 0.000 2.424 120 L HA 0.673 5.057 4.340 0.073 0.000 0.258 120 L C -0.935 176.000 176.870 0.108 0.000 0.995 120 L CA -0.964 53.878 54.840 0.003 0.000 0.821 120 L CB 2.000 44.087 42.059 0.047 0.000 1.383 120 L HN 0.295 nan 8.230 nan 0.000 0.410 121 M N 2.408 122.199 119.600 0.319 0.000 2.220 121 M HA 0.213 4.737 4.480 0.073 0.000 0.343 121 M C -0.687 175.687 176.300 0.123 0.000 1.470 121 M CA 0.338 55.789 55.300 0.252 0.000 1.161 121 M CB -0.259 32.469 32.600 0.213 0.000 1.737 121 M HN 0.714 nan 8.290 nan 0.000 0.464 122 D N 2.817 123.268 120.400 0.086 0.000 2.414 122 D HA 0.322 5.006 4.640 0.073 0.000 0.232 122 D C 0.910 177.237 176.300 0.045 0.000 1.070 122 D CA -0.420 53.611 54.000 0.052 0.000 0.839 122 D CB 0.998 41.817 40.800 0.031 0.000 1.079 122 D HN 0.473 nan 8.370 nan 0.000 0.521 123 R N 1.880 122.404 120.500 0.039 0.000 2.103 123 R HA -0.143 4.241 4.340 0.073 0.000 0.242 123 R C 1.864 178.178 176.300 0.024 0.000 1.142 123 R CA 1.306 57.425 56.100 0.031 0.000 0.960 123 R CB -0.431 29.884 30.300 0.024 0.000 0.858 123 R HN 0.360 nan 8.270 nan 0.000 0.439 124 S N -0.322 115.389 115.700 0.019 0.000 2.423 124 S HA -0.098 4.416 4.470 0.073 0.000 0.231 124 S C 1.403 176.010 174.600 0.013 0.000 1.014 124 S CA 0.834 59.042 58.200 0.013 0.000 0.965 124 S CB -0.005 63.200 63.200 0.008 0.000 0.785 124 S HN 0.482 nan 8.310 nan 0.000 0.495 125 C N 1.750 121.060 119.300 0.017 0.000 2.974 125 C HA 0.428 4.932 4.460 0.073 0.000 0.282 125 C C 0.505 175.509 174.990 0.022 0.000 1.292 125 C CA -0.779 58.248 59.018 0.015 0.000 1.710 125 C CB -1.381 26.365 27.740 0.011 0.000 2.036 125 C HN 0.591 nan 8.230 nan 0.000 0.629 126 N N 1.627 120.344 118.700 0.028 0.000 2.725 126 N HA -0.142 4.641 4.740 0.073 0.000 0.251 126 N C 0.130 175.668 175.510 0.048 0.000 1.031 126 N CA 1.637 54.708 53.050 0.035 0.000 0.720 126 N CB -1.073 37.430 38.487 0.027 0.000 0.930 126 N HN 0.847 nan 8.380 nan 0.000 0.543 127 G N -1.596 107.240 108.800 0.061 0.000 2.341 127 G HA2 0.270 4.274 3.960 0.073 0.000 0.293 127 G HA3 0.270 4.274 3.960 0.073 0.000 0.293 127 G C -3.384 171.576 174.900 0.100 0.000 1.298 127 G CA -0.863 44.289 45.100 0.087 0.000 0.868 127 G HN -0.009 nan 8.290 nan 0.000 0.540 128 P HA 0.477 nan 4.420 nan 0.000 0.271 128 P C -0.430 176.852 177.300 -0.030 0.000 1.216 128 P CA -0.208 62.949 63.100 0.096 0.000 0.771 128 P CB 1.420 33.264 31.700 0.241 0.000 0.864 129 V N 4.380 124.240 119.914 -0.090 0.000 2.735 129 V HA 0.356 4.520 4.120 0.073 0.000 0.310 129 V C -0.019 175.985 176.094 -0.150 0.000 1.061 129 V CA -0.861 61.382 62.300 -0.094 0.000 0.913 129 V CB 2.304 34.102 31.823 -0.041 0.000 1.005 129 V HN 0.431 nan 8.190 nan 0.000 0.428 130 L N 4.099 125.240 121.223 -0.136 0.000 2.272 130 L HA 0.658 5.041 4.340 0.073 0.000 0.289 130 L C -1.059 175.781 176.870 -0.051 0.000 1.032 130 L CA -0.382 54.373 54.840 -0.143 0.000 0.810 130 L CB 1.603 43.566 42.059 -0.159 0.000 1.205 130 L HN 0.448 nan 8.230 nan 0.000 0.422 131 V N 3.770 123.669 119.914 -0.024 0.000 2.588 131 V HA 0.829 4.992 4.120 0.073 0.000 0.304 131 V C 0.220 176.400 176.094 0.142 0.000 1.042 131 V CA -0.431 61.921 62.300 0.087 0.000 0.877 131 V CB 1.739 33.641 31.823 0.132 0.000 0.996 131 V HN 0.883 nan 8.190 nan 0.000 0.425 132 G N 2.048 110.991 108.800 0.239 0.000 2.690 132 G HA2 0.695 4.699 3.960 0.073 0.000 0.291 132 G HA3 0.695 4.699 3.960 0.073 0.000 0.291 132 G C -1.410 173.732 174.900 0.404 0.000 1.403 132 G CA -0.502 44.781 45.100 0.306 0.000 0.864 132 G HN 0.798 nan 8.290 nan 0.000 0.480 133 S N 0.021 115.967 115.700 0.410 0.000 2.543 133 S HA 0.655 5.169 4.470 0.073 0.000 0.271 133 S C -2.325 172.438 174.600 0.271 0.000 1.148 133 S CA -0.992 57.417 58.200 0.348 0.000 0.914 133 S CB 2.367 65.692 63.200 0.209 0.000 1.096 133 S HN 0.178 nan 8.310 nan 0.000 0.471 134 P HA -0.014 nan 4.420 nan 0.000 0.223 134 P C 0.190 177.543 177.300 0.089 0.000 1.151 134 P CA 0.680 63.843 63.100 0.105 0.000 0.787 134 P CB 0.070 31.823 31.700 0.088 0.000 0.788 135 Q N 1.118 120.982 119.800 0.107 0.000 2.837 135 Q HA 0.337 4.720 4.340 0.073 0.000 0.235 135 Q C 0.359 176.411 176.000 0.086 0.000 1.348 135 Q CA -0.418 55.424 55.803 0.065 0.000 0.990 135 Q CB -1.093 27.667 28.738 0.036 0.000 1.570 135 Q HN 0.030 nan 8.270 nan 0.000 0.575 136 G N 0.119 108.982 108.800 0.105 0.000 2.557 136 G HA2 0.463 4.467 3.960 0.073 0.000 0.292 136 G HA3 0.463 4.467 3.960 0.073 0.000 0.292 136 G C 0.567 175.527 174.900 0.101 0.000 1.237 136 G CA -0.385 44.807 45.100 0.153 0.000 0.978 136 G HN 1.045 nan 8.290 nan 0.000 0.498 137 G N -2.481 106.398 108.800 0.132 0.000 2.189 137 G HA2 -0.171 3.833 3.960 0.073 0.000 0.267 137 G HA3 -0.171 3.833 3.960 0.073 0.000 0.267 137 G C 0.235 175.170 174.900 0.058 0.000 0.975 137 G CA 0.714 45.864 45.100 0.084 0.000 0.644 137 G HN 1.174 nan 8.290 nan 0.000 0.537 138 V N 0.087 120.030 119.914 0.049 0.000 3.019 138 V HA 0.571 4.735 4.120 0.073 0.000 0.317 138 V C 0.237 176.318 176.094 -0.023 0.000 1.094 138 V CA -0.396 61.907 62.300 0.005 0.000 1.000 138 V CB 1.922 33.734 31.823 -0.018 0.000 1.060 138 V HN 0.358 nan 8.190 nan 0.000 0.443 139 D N 1.071 121.448 120.400 -0.039 0.000 2.450 139 D HA 0.008 4.691 4.640 0.073 0.000 0.247 139 D C 0.897 177.098 176.300 -0.165 0.000 1.162 139 D CA 0.045 54.005 54.000 -0.066 0.000 0.879 139 D CB 0.806 41.580 40.800 -0.043 0.000 1.163 139 D HN 0.446 nan 8.370 nan 0.000 0.472 140 I N 3.468 123.850 120.570 -0.314 0.000 2.423 140 I HA -0.215 3.999 4.170 0.073 0.000 0.254 140 I C 1.630 177.599 176.117 -0.247 0.000 1.151 140 I CA 1.612 62.619 61.300 -0.488 0.000 1.421 140 I CB -0.158 37.340 38.000 -0.837 0.000 1.079 140 I HN 0.588 nan 8.210 nan 0.000 0.431 141 E N 0.174 120.282 120.200 -0.153 0.000 2.077 141 E HA -0.239 4.155 4.350 0.073 0.000 0.193 141 E C 2.045 178.593 176.600 -0.086 0.000 0.989 141 E CA 1.571 57.912 56.400 -0.098 0.000 0.800 141 E CB -0.167 29.494 29.700 -0.065 0.000 0.746 141 E HN 0.629 nan 8.360 nan 0.000 0.452 142 E N 0.412 120.563 120.200 -0.082 0.000 2.038 142 E HA -0.184 4.210 4.350 0.073 0.000 0.195 142 E C 2.235 178.794 176.600 -0.069 0.000 1.000 142 E CA 1.454 57.816 56.400 -0.064 0.000 0.803 142 E CB -0.111 29.557 29.700 -0.054 0.000 0.750 142 E HN 0.080 nan 8.360 nan 0.000 0.448 143 V N 1.489 121.349 119.914 -0.090 0.000 2.453 143 V HA -0.296 3.868 4.120 0.073 0.000 0.252 143 V C 2.288 178.333 176.094 -0.083 0.000 1.068 143 V CA 1.850 64.099 62.300 -0.085 0.000 1.070 143 V CB -0.810 30.945 31.823 -0.113 0.000 0.664 143 V HN 0.334 nan 8.190 nan 0.000 0.461 144 A N -0.343 122.422 122.820 -0.093 0.000 1.970 144 A HA 0.123 4.487 4.320 0.073 0.000 0.216 144 A C 2.377 179.922 177.584 -0.065 0.000 1.170 144 A CA 1.612 53.599 52.037 -0.082 0.000 0.645 144 A CB -0.500 18.451 19.000 -0.083 0.000 0.816 144 A HN 0.535 nan 8.150 nan 0.000 0.447 145 A N -0.334 122.451 122.820 -0.059 0.000 1.840 145 A HA -0.004 4.359 4.320 0.073 0.000 0.214 145 A C 2.453 180.010 177.584 -0.044 0.000 1.198 145 A CA 1.928 53.937 52.037 -0.047 0.000 0.608 145 A CB -0.947 18.027 19.000 -0.042 0.000 0.839 145 A HN 0.430 nan 8.150 nan 0.000 0.443 146 S N 0.738 116.412 115.700 -0.043 0.000 2.356 146 S HA -0.100 4.413 4.470 0.073 0.000 0.223 146 S C 0.382 174.958 174.600 -0.040 0.000 1.032 146 S CA 1.433 59.610 58.200 -0.037 0.000 1.005 146 S CB -0.408 62.771 63.200 -0.034 0.000 0.867 146 S HN 0.762 nan 8.310 nan 0.000 0.449 147 N N 0.674 119.345 118.700 -0.047 0.000 2.752 147 N HA 0.250 5.034 4.740 0.073 0.000 0.260 147 N C -2.516 172.950 175.510 -0.074 0.000 1.562 147 N CA -1.260 51.759 53.050 -0.052 0.000 0.788 147 N CB 1.519 39.983 38.487 -0.038 0.000 1.192 147 N HN 0.110 nan 8.380 nan 0.000 0.503 148 P HA -0.233 nan 4.420 nan 0.000 0.217 148 P C 0.482 177.691 177.300 -0.153 0.000 1.148 148 P CA 1.508 64.546 63.100 -0.103 0.000 0.828 148 P CB 0.350 32.000 31.700 -0.085 0.000 0.783 149 E N 0.335 120.452 120.200 -0.140 0.000 2.267 149 E HA -0.116 4.277 4.350 0.073 0.000 0.197 149 E C 1.869 178.298 176.600 -0.285 0.000 0.998 149 E CA 0.821 57.109 56.400 -0.187 0.000 0.830 149 E CB -1.266 28.371 29.700 -0.106 0.000 0.751 149 E HN 0.325 nan 8.360 nan 0.000 0.491 150 L N 0.190 121.302 121.223 -0.185 0.000 2.611 150 L HA 0.223 4.607 4.340 0.073 0.000 0.229 150 L C -0.095 176.710 176.870 -0.109 0.000 1.137 150 L CA -0.415 54.368 54.840 -0.095 0.000 0.901 150 L CB 0.131 42.206 42.059 0.026 0.000 1.098 150 L HN 0.085 nan 8.230 nan 0.000 0.456 151 I N -0.249 120.164 120.570 -0.262 0.000 2.336 151 I HA 0.271 4.485 4.170 0.073 0.000 0.292 151 I C -0.408 175.520 176.117 -0.314 0.000 0.991 151 I CA -0.002 61.220 61.300 -0.129 0.000 1.227 151 I CB 0.970 38.913 38.000 -0.096 0.000 1.366 151 I HN -0.200 nan 8.210 nan 0.000 0.466 152 F N 5.545 125.516 119.950 0.035 0.000 2.495 152 F HA 0.611 5.160 4.527 0.037 0.000 0.327 152 F C 0.204 176.015 175.800 0.019 0.000 1.103 152 F CA -0.765 57.250 58.000 0.026 0.000 0.949 152 F CB 1.458 40.478 39.000 0.034 0.000 1.142 152 F HN 0.200 nan 8.300 nan 0.000 0.457 153 K N 2.360 122.854 120.400 0.158 0.000 2.371 153 K HA 0.481 4.844 4.320 0.073 0.000 0.251 153 K C -1.130 175.501 176.600 0.052 0.000 0.934 153 K CA -1.041 55.293 56.287 0.077 0.000 0.798 153 K CB 2.654 35.172 32.500 0.029 0.000 1.204 153 K HN 0.436 nan 8.250 nan 0.000 0.427 154 E N 2.699 122.903 120.200 0.006 0.000 2.216 154 E HA 0.069 4.462 4.350 0.073 0.000 0.260 154 E C -1.145 175.419 176.600 -0.059 0.000 0.880 154 E CA -0.549 55.835 56.400 -0.027 0.000 0.765 154 E CB 2.154 31.821 29.700 -0.054 0.000 1.174 154 E HN 0.532 nan 8.360 nan 0.000 0.417 155 Q N 4.136 123.909 119.800 -0.046 0.000 2.296 155 Q HA 0.247 4.631 4.340 0.073 0.000 0.262 155 Q C -0.585 175.368 176.000 -0.079 0.000 0.981 155 Q CA -0.175 55.598 55.803 -0.050 0.000 0.905 155 Q CB 0.644 29.367 28.738 -0.024 0.000 1.186 155 Q HN 0.350 nan 8.270 nan 0.000 0.399 156 I N 3.611 124.117 120.570 -0.106 0.000 2.359 156 I HA 0.171 4.384 4.170 0.073 0.000 0.294 156 I C -0.009 176.070 176.117 -0.064 0.000 0.987 156 I CA -0.440 60.764 61.300 -0.160 0.000 1.225 156 I CB 1.430 39.216 38.000 -0.357 0.000 1.366 156 I HN 0.869 nan 8.210 nan 0.000 0.466 157 D N 5.402 125.772 120.400 -0.049 0.000 2.317 157 D HA 0.027 4.711 4.640 0.073 0.000 0.252 157 D C 1.004 177.337 176.300 0.055 0.000 1.174 157 D CA -0.264 53.740 54.000 0.006 0.000 0.866 157 D CB 1.445 42.245 40.800 0.001 0.000 1.127 157 D HN 0.458 nan 8.370 nan 0.000 0.467 158 I N 5.216 125.842 120.570 0.094 0.000 2.454 158 I HA -0.251 3.963 4.170 0.073 0.000 0.254 158 I C 1.757 177.944 176.117 0.116 0.000 1.156 158 I CA 0.963 62.352 61.300 0.149 0.000 1.433 158 I CB 0.126 38.204 38.000 0.130 0.000 1.082 158 I HN 0.503 nan 8.210 nan 0.000 0.432 159 I N 0.658 121.272 120.570 0.075 0.000 2.277 159 I HA -0.177 4.036 4.170 0.073 0.000 0.243 159 I C 2.419 178.571 176.117 0.057 0.000 1.094 159 I CA 1.519 62.855 61.300 0.059 0.000 1.393 159 I CB -1.496 36.528 38.000 0.041 0.000 1.078 159 I HN 0.449 nan 8.210 nan 0.000 0.417 160 E N 1.221 121.449 120.200 0.046 0.000 2.358 160 E HA 0.165 4.558 4.350 0.073 0.000 0.195 160 E C 1.184 177.812 176.600 0.047 0.000 1.010 160 E CA 0.760 57.181 56.400 0.035 0.000 0.856 160 E CB 0.064 29.772 29.700 0.014 0.000 0.795 160 E HN 0.385 nan 8.360 nan 0.000 0.504 161 G N 1.142 109.988 108.800 0.077 0.000 2.725 161 G HA2 -0.282 3.722 3.960 0.073 0.000 0.220 161 G HA3 -0.282 3.722 3.960 0.073 0.000 0.220 161 G C -0.501 174.359 174.900 -0.067 0.000 1.357 161 G CA -0.286 44.886 45.100 0.122 0.000 0.866 161 G HN 0.432 nan 8.290 nan 0.000 0.548 162 I N 0.178 120.648 120.570 -0.167 0.000 2.474 162 I HA 0.553 4.767 4.170 0.073 0.000 0.287 162 I C 0.602 176.644 176.117 -0.125 0.000 1.048 162 I CA -0.473 60.645 61.300 -0.303 0.000 1.383 162 I CB 0.432 38.158 38.000 -0.457 0.000 1.412 162 I HN 0.524 nan 8.210 nan 0.000 0.531 163 K N 5.831 126.160 120.400 -0.118 0.000 2.143 163 K HA 0.171 4.534 4.320 0.073 0.000 0.272 163 K C 0.547 177.110 176.600 -0.062 0.000 1.001 163 K CA -0.553 55.694 56.287 -0.068 0.000 0.915 163 K CB 0.926 33.391 32.500 -0.057 0.000 1.047 163 K HN 0.558 nan 8.250 nan 0.000 0.458 164 D N 0.630 121.006 120.400 -0.040 0.000 2.133 164 D HA -0.223 4.461 4.640 0.073 0.000 0.195 164 D C 1.835 178.112 176.300 -0.038 0.000 0.997 164 D CA 1.902 55.882 54.000 -0.034 0.000 0.840 164 D CB -0.205 40.582 40.800 -0.022 0.000 0.947 164 D HN 0.603 nan 8.370 nan 0.000 0.452 165 S N 0.411 116.091 115.700 -0.034 0.000 2.370 165 S HA -0.256 4.257 4.470 0.073 0.000 0.226 165 S C 1.930 176.506 174.600 -0.039 0.000 1.033 165 S CA 1.320 59.501 58.200 -0.031 0.000 1.011 165 S CB -0.343 62.842 63.200 -0.025 0.000 0.852 165 S HN 0.312 nan 8.310 nan 0.000 0.457 166 Q N 0.980 120.746 119.800 -0.055 0.000 2.016 166 Q HA 0.057 4.441 4.340 0.073 0.000 0.200 166 Q C 2.759 178.715 176.000 -0.073 0.000 0.978 166 Q CA 1.435 57.197 55.803 -0.069 0.000 0.833 166 Q CB -0.596 28.081 28.738 -0.101 0.000 0.895 166 Q HN 0.771 nan 8.270 nan 0.000 0.427 167 A N 0.992 123.764 122.820 -0.081 0.000 1.908 167 A HA -0.249 4.115 4.320 0.073 0.000 0.218 167 A C 2.079 179.632 177.584 -0.052 0.000 1.181 167 A CA 1.392 53.384 52.037 -0.076 0.000 0.627 167 A CB -0.439 18.518 19.000 -0.071 0.000 0.818 167 A HN 0.278 nan 8.150 nan 0.000 0.445 168 Q N -0.852 118.924 119.800 -0.041 0.000 2.046 168 Q HA -0.175 4.209 4.340 0.073 0.000 0.200 168 Q C 2.303 178.288 176.000 -0.026 0.000 0.975 168 Q CA 1.714 57.501 55.803 -0.027 0.000 0.836 168 Q CB -0.387 28.339 28.738 -0.021 0.000 0.896 168 Q HN 0.767 nan 8.270 nan 0.000 0.428 169 R N 0.058 120.538 120.500 -0.033 0.000 2.091 169 R HA -0.170 4.214 4.340 0.073 0.000 0.238 169 R C 2.259 178.518 176.300 -0.068 0.000 1.136 169 R CA 1.676 57.752 56.100 -0.041 0.000 0.959 169 R CB -0.158 30.125 30.300 -0.029 0.000 0.856 169 R HN 0.120 nan 8.270 nan 0.000 0.437 170 M N 0.374 119.940 119.600 -0.057 0.000 2.086 170 M HA -0.037 4.486 4.480 0.073 0.000 0.261 170 M C 2.046 178.336 176.300 -0.017 0.000 1.067 170 M CA 2.020 57.283 55.300 -0.061 0.000 1.116 170 M CB -0.541 32.031 32.600 -0.048 0.000 1.348 170 M HN 0.232 nan 8.290 nan 0.000 0.407 171 A N -0.445 122.390 122.820 0.025 0.000 1.892 171 A HA -0.270 4.094 4.320 0.073 0.000 0.218 171 A C 2.185 179.864 177.584 0.158 0.000 1.188 171 A CA 2.238 54.348 52.037 0.121 0.000 0.631 171 A CB -1.158 17.857 19.000 0.024 0.000 0.822 171 A HN 0.718 nan 8.150 nan 0.000 0.447 172 E N -0.317 119.905 120.200 0.037 0.000 2.110 172 E HA -0.223 4.171 4.350 0.073 0.000 0.193 172 E C 1.544 178.088 176.600 -0.094 0.000 0.988 172 E CA 1.259 57.658 56.400 -0.001 0.000 0.804 172 E CB -0.160 29.523 29.700 -0.029 0.000 0.745 172 E HN 0.565 nan 8.360 nan 0.000 0.458 173 N N 0.380 118.945 118.700 -0.226 0.000 2.309 173 N HA -0.085 4.699 4.740 0.073 0.000 0.182 173 N C 1.455 176.703 175.510 -0.436 0.000 1.018 173 N CA 0.655 53.355 53.050 -0.583 0.000 0.876 173 N CB 0.028 37.837 38.487 -1.129 0.000 0.972 173 N HN 0.289 nan 8.380 nan 0.000 0.434 174 L N -0.278 120.877 121.223 -0.113 0.000 2.612 174 L HA 0.168 4.551 4.340 0.073 0.000 0.230 174 L C 0.945 177.769 176.870 -0.076 0.000 1.140 174 L CA 0.038 54.905 54.840 0.046 0.000 0.896 174 L CB -0.431 41.855 42.059 0.378 0.000 1.065 174 L HN 0.141 nan 8.230 nan 0.000 0.447 175 G N 0.195 108.944 108.800 -0.086 0.000 2.160 175 G HA2 -0.313 3.691 3.960 0.073 0.000 0.251 175 G HA3 -0.313 3.691 3.960 0.073 0.000 0.251 175 G C 0.033 174.807 174.900 -0.211 0.000 1.008 175 G CA -0.209 44.805 45.100 -0.144 0.000 0.724 175 G HN 0.208 nan 8.290 nan 0.000 0.514 176 F N -0.353 119.572 119.950 -0.041 0.000 2.389 176 F HA 0.706 5.270 4.527 0.062 0.000 0.337 176 F C 1.080 176.858 175.800 -0.037 0.000 1.112 176 F CA -0.399 57.574 58.000 -0.044 0.000 1.192 176 F CB 0.924 39.896 39.000 -0.047 0.000 1.185 176 F HN -0.009 nan 8.300 nan 0.000 0.552 177 L N 1.439 122.734 121.223 0.120 0.000 2.354 177 L HA 0.709 5.092 4.340 0.073 0.000 0.264 177 L C 0.675 177.579 176.870 0.057 0.000 1.008 177 L CA -0.785 54.091 54.840 0.060 0.000 0.819 177 L CB 1.530 43.599 42.059 0.016 0.000 1.339 177 L HN 0.846 nan 8.230 nan 0.000 0.420 178 G N 2.098 110.920 108.800 0.036 0.000 2.614 178 G HA2 -0.272 3.732 3.960 0.073 0.000 0.303 178 G HA3 -0.272 3.732 3.960 0.073 0.000 0.303 178 G C -1.320 173.596 174.900 0.028 0.000 1.270 178 G CA 0.297 45.413 45.100 0.026 0.000 0.988 178 G HN 0.584 nan 8.290 nan 0.000 0.551 179 P HA -0.097 nan 4.420 nan 0.000 0.217 179 P C 2.199 179.509 177.300 0.017 0.000 1.151 179 P CA 2.080 65.189 63.100 0.014 0.000 0.849 179 P CB -0.154 31.553 31.700 0.012 0.000 0.787 180 L N -0.536 120.714 121.223 0.045 0.000 2.131 180 L HA -0.151 4.232 4.340 0.073 0.000 0.210 180 L C 2.936 179.834 176.870 0.047 0.000 1.092 180 L CA 1.579 56.461 54.840 0.069 0.000 0.759 180 L CB -1.052 41.108 42.059 0.169 0.000 0.903 180 L HN 0.129 nan 8.230 nan 0.000 0.435 181 Q N 0.635 120.482 119.800 0.078 0.000 2.119 181 Q HA -0.198 4.185 4.340 0.073 0.000 0.201 181 Q C 1.808 177.795 176.000 -0.023 0.000 0.972 181 Q CA 1.803 57.640 55.803 0.058 0.000 0.847 181 Q CB 0.099 28.880 28.738 0.071 0.000 0.903 181 Q HN 0.614 nan 8.270 nan 0.000 0.433 182 N N -0.267 118.423 118.700 -0.017 0.000 2.188 182 N HA -0.177 4.606 4.740 0.073 0.000 0.184 182 N C 1.780 177.259 175.510 -0.052 0.000 1.018 182 N CA 0.817 53.850 53.050 -0.028 0.000 0.858 182 N CB -0.053 38.425 38.487 -0.016 0.000 0.989 182 N HN 0.248 nan 8.380 nan 0.000 0.426 183 Q N 0.771 120.531 119.800 -0.066 0.000 2.084 183 Q HA -0.090 4.293 4.340 0.073 0.000 0.202 183 Q C 2.101 178.018 176.000 -0.139 0.000 0.978 183 Q CA 1.440 57.190 55.803 -0.087 0.000 0.844 183 Q CB -0.043 28.645 28.738 -0.084 0.000 0.898 183 Q HN 0.425 nan 8.270 nan 0.000 0.426 184 A N 0.599 123.260 122.820 -0.266 0.000 1.898 184 A HA -0.088 4.276 4.320 0.073 0.000 0.216 184 A C 2.261 179.788 177.584 -0.095 0.000 1.181 184 A CA 1.530 53.357 52.037 -0.350 0.000 0.620 184 A CB -0.929 17.449 19.000 -1.037 0.000 0.819 184 A HN 0.521 nan 8.150 nan 0.000 0.442 185 A N -0.175 122.585 122.820 -0.100 0.000 1.908 185 A HA -0.251 4.112 4.320 0.073 0.000 0.218 185 A C 1.819 179.376 177.584 -0.046 0.000 1.181 185 A CA 2.248 54.249 52.037 -0.059 0.000 0.627 185 A CB -0.785 18.188 19.000 -0.046 0.000 0.818 185 A HN 0.548 nan 8.150 nan 0.000 0.445 186 D N -1.469 118.906 120.400 -0.042 0.000 2.144 186 D HA -0.116 4.568 4.640 0.073 0.000 0.200 186 D C 2.191 178.481 176.300 -0.017 0.000 0.978 186 D CA 1.009 54.993 54.000 -0.027 0.000 0.833 186 D CB 0.031 40.815 40.800 -0.026 0.000 0.961 186 D HN 0.295 nan 8.370 nan 0.000 0.470 187 Q N -0.082 119.718 119.800 0.001 0.000 2.167 187 Q HA -0.067 4.317 4.340 0.073 0.000 0.202 187 Q C 2.383 178.356 176.000 -0.045 0.000 0.970 187 Q CA 0.596 56.416 55.803 0.028 0.000 0.855 187 Q CB -0.070 28.769 28.738 0.168 0.000 0.911 187 Q HN 0.497 nan 8.270 nan 0.000 0.438 188 I N 0.549 121.068 120.570 -0.085 0.000 2.226 188 I HA -0.300 3.913 4.170 0.073 0.000 0.245 188 I C 2.143 178.212 176.117 -0.080 0.000 1.100 188 I CA 1.233 62.431 61.300 -0.170 0.000 1.374 188 I CB -0.157 37.743 38.000 -0.167 0.000 1.057 188 I HN 0.151 nan 8.210 nan 0.000 0.413 189 K N 0.889 121.268 120.400 -0.035 0.000 2.057 189 K HA -0.184 4.179 4.320 0.073 0.000 0.207 189 K C 2.125 178.757 176.600 0.053 0.000 1.049 189 K CA 1.397 57.699 56.287 0.024 0.000 0.931 189 K CB -0.085 32.422 32.500 0.011 0.000 0.714 189 K HN 0.146 nan 8.250 nan 0.000 0.440 190 K N 0.664 121.071 120.400 0.012 0.000 2.148 190 K HA -0.054 4.310 4.320 0.073 0.000 0.204 190 K C 1.910 178.510 176.600 0.001 0.000 1.050 190 K CA 0.847 57.139 56.287 0.009 0.000 0.942 190 K CB 0.028 32.527 32.500 -0.002 0.000 0.724 190 K HN 0.030 nan 8.250 nan 0.000 0.446 191 L N -0.633 120.575 121.223 -0.025 0.000 2.056 191 L HA -0.174 4.209 4.340 0.073 0.000 0.207 191 L C 2.243 179.125 176.870 0.021 0.000 1.078 191 L CA 1.041 55.853 54.840 -0.045 0.000 0.749 191 L CB -0.366 41.603 42.059 -0.151 0.000 0.901 191 L HN 0.188 nan 8.230 nan 0.000 0.433 192 Y N 1.156 121.404 120.300 -0.087 0.000 2.181 192 Y HA -0.243 4.345 4.550 0.065 0.000 0.288 192 Y C 2.458 178.398 175.900 0.066 0.000 1.146 192 Y CA 1.518 59.588 58.100 -0.049 0.000 1.164 192 Y CB -0.261 38.146 38.460 -0.088 0.000 0.982 192 Y HN 0.234 nan 8.280 nan 0.000 0.515 193 N N 0.285 118.965 118.700 -0.032 0.000 2.188 193 N HA -0.158 4.625 4.740 0.073 0.000 0.184 193 N C 1.895 177.350 175.510 -0.091 0.000 1.018 193 N CA 1.333 54.320 53.050 -0.105 0.000 0.858 193 N CB -0.686 37.791 38.487 -0.016 0.000 0.989 193 N HN 0.421 nan 8.380 nan 0.000 0.426 194 L N 0.573 121.775 121.223 -0.035 0.000 1.994 194 L HA -0.075 4.309 4.340 0.073 0.000 0.208 194 L C 2.123 178.978 176.870 -0.025 0.000 1.071 194 L CA 1.387 56.214 54.840 -0.022 0.000 0.745 194 L CB -1.064 40.989 42.059 -0.009 0.000 0.892 194 L HN 0.059 nan 8.230 nan 0.000 0.431 195 F N -0.265 119.572 119.950 -0.188 0.000 2.087 195 F HA -0.295 4.304 4.527 0.120 0.000 0.299 195 F C 2.045 177.712 175.800 -0.222 0.000 1.100 195 F CA 2.147 60.023 58.000 -0.208 0.000 1.226 195 F CB -0.355 38.526 39.000 -0.198 0.000 0.983 195 F HN 0.097 nan 8.300 nan 0.000 0.479 196 L N 0.119 121.223 121.223 -0.199 0.000 2.027 196 L HA -0.206 4.177 4.340 0.073 0.000 0.206 196 L C 2.641 179.383 176.870 -0.214 0.000 1.074 196 L CA 1.728 56.397 54.840 -0.286 0.000 0.745 196 L CB -0.798 41.091 42.059 -0.284 0.000 0.898 196 L HN 0.134 nan 8.230 nan 0.000 0.433 197 K N 1.020 121.334 120.400 -0.144 0.000 2.103 197 K HA -0.184 4.180 4.320 0.073 0.000 0.207 197 K C 1.758 178.318 176.600 -0.067 0.000 1.048 197 K CA 1.564 57.797 56.287 -0.089 0.000 0.930 197 K CB -0.045 32.422 32.500 -0.054 0.000 0.716 197 K HN 0.476 nan 8.250 nan 0.000 0.444 198 I N -2.753 117.780 120.570 -0.061 0.000 3.904 198 I HA 0.115 4.329 4.170 0.073 0.000 0.333 198 I C -0.820 175.325 176.117 0.047 0.000 1.361 198 I CA -0.086 61.242 61.300 0.047 0.000 1.116 198 I CB 0.194 38.295 38.000 0.169 0.000 1.028 198 I HN 0.003 nan 8.210 nan 0.000 0.398 199 D N 2.437 122.756 120.400 -0.135 0.000 2.723 199 D HA -0.156 4.528 4.640 0.073 0.000 0.236 199 D C 0.538 176.717 176.300 -0.202 0.000 1.138 199 D CA 0.931 54.827 54.000 -0.174 0.000 0.676 199 D CB -0.544 40.214 40.800 -0.070 0.000 1.069 199 D HN 0.674 nan 8.370 nan 0.000 0.430 200 A N 0.038 122.572 122.820 -0.476 0.000 2.351 200 A HA 0.489 4.852 4.320 0.073 0.000 0.257 200 A C 1.550 178.795 177.584 -0.566 0.000 1.087 200 A CA 0.510 52.218 52.037 -0.549 0.000 0.798 200 A CB 0.696 19.362 19.000 -0.556 0.000 1.033 200 A HN 0.266 nan 8.150 nan 0.000 0.488 201 T N -1.490 112.922 114.554 -0.237 0.000 3.014 201 T HA 0.294 4.688 4.350 0.073 0.000 0.250 201 T C 0.379 175.192 174.700 0.188 0.000 1.060 201 T CA 0.637 62.711 62.100 -0.044 0.000 1.040 201 T CB -0.076 68.791 68.868 -0.002 0.000 0.971 201 T HN 0.779 nan 8.240 nan 0.000 0.497 202 Q N 0.208 120.087 119.800 0.132 0.000 2.443 202 Q HA 0.495 4.879 4.340 0.073 0.000 0.258 202 Q C -2.540 173.485 176.000 0.042 0.000 0.967 202 Q CA -0.583 55.326 55.803 0.177 0.000 0.951 202 Q CB 2.349 31.124 28.738 0.062 0.000 1.459 202 Q HN 0.141 nan 8.270 nan 0.000 0.415 203 V N 3.559 123.510 119.914 0.061 0.000 2.378 203 V HA 0.447 4.611 4.120 0.073 0.000 0.288 203 V C -0.738 175.282 176.094 -0.124 0.000 1.016 203 V CA -0.435 61.833 62.300 -0.053 0.000 0.840 203 V CB 1.619 33.432 31.823 -0.016 0.000 0.994 203 V HN 0.726 nan 8.190 nan 0.000 0.431 204 E N 4.261 124.384 120.200 -0.129 0.000 2.185 204 E HA 0.556 4.949 4.350 0.073 0.000 0.261 204 E C -1.659 174.832 176.600 -0.183 0.000 0.879 204 E CA -0.478 55.809 56.400 -0.188 0.000 0.756 204 E CB 2.032 31.686 29.700 -0.077 0.000 1.152 204 E HN 0.466 nan 8.360 nan 0.000 0.416 205 V N 5.092 124.842 119.914 -0.273 0.000 2.347 205 V HA 0.374 4.538 4.120 0.073 0.000 0.280 205 V C -0.306 175.740 176.094 -0.081 0.000 1.021 205 V CA -0.739 61.481 62.300 -0.134 0.000 0.847 205 V CB 1.096 32.838 31.823 -0.134 0.000 0.990 205 V HN 0.573 nan 8.190 nan 0.000 0.444 206 N N 6.301 125.038 118.700 0.062 0.000 2.599 206 N HA 0.421 5.205 4.740 0.073 0.000 0.283 206 N C -3.060 172.558 175.510 0.179 0.000 1.160 206 N CA -1.053 52.099 53.050 0.170 0.000 0.869 206 N CB 3.119 41.758 38.487 0.254 0.000 1.448 206 N HN 0.349 nan 8.380 nan 0.000 0.535 207 P HA 0.321 nan 4.420 nan 0.000 0.286 207 P C -1.059 176.494 177.300 0.422 0.000 1.261 207 P CA -0.470 62.803 63.100 0.289 0.000 0.821 207 P CB 0.919 32.748 31.700 0.213 0.000 1.013 208 F N 2.634 122.708 119.950 0.205 0.000 2.371 208 F HA 0.645 5.229 4.527 0.094 0.000 0.363 208 F C 0.078 176.093 175.800 0.359 0.000 1.122 208 F CA -0.063 58.048 58.000 0.185 0.000 1.129 208 F CB 0.476 39.541 39.000 0.108 0.000 1.173 208 F HN 0.538 nan 8.300 nan 0.000 0.489 209 G N 5.069 113.965 108.800 0.160 0.000 2.782 209 G HA2 0.532 4.535 3.960 0.073 0.000 0.304 209 G HA3 0.532 4.535 3.960 0.073 0.000 0.304 209 G C -1.807 173.254 174.900 0.269 0.000 1.315 209 G CA -0.926 44.331 45.100 0.263 0.000 0.791 209 G HN 0.609 nan 8.290 nan 0.000 0.519 210 E N -1.045 119.319 120.200 0.274 0.000 2.277 210 E HA 0.633 5.027 4.350 0.073 0.000 0.266 210 E C -0.610 176.131 176.600 0.234 0.000 0.901 210 E CA -0.866 55.665 56.400 0.218 0.000 0.782 210 E CB 1.977 31.771 29.700 0.157 0.000 1.228 210 E HN 0.570 nan 8.360 nan 0.000 0.424 211 T N -1.729 112.950 114.554 0.208 0.000 2.943 211 T HA 0.295 4.689 4.350 0.073 0.000 0.284 211 T C -2.031 172.719 174.700 0.085 0.000 1.015 211 T CA -2.176 60.031 62.100 0.177 0.000 1.042 211 T CB 1.441 70.423 68.868 0.190 0.000 1.055 211 T HN 0.133 nan 8.240 nan 0.000 0.500 212 P HA -0.090 nan 4.420 nan 0.000 0.216 212 P C 0.584 177.904 177.300 0.032 0.000 1.150 212 P CA 1.043 64.160 63.100 0.030 0.000 0.843 212 P CB -0.098 31.613 31.700 0.019 0.000 0.787 213 E N -0.817 119.407 120.200 0.040 0.000 2.405 213 E HA 0.253 4.647 4.350 0.073 0.000 0.194 213 E C 1.122 177.740 176.600 0.031 0.000 1.149 213 E CA 0.531 56.950 56.400 0.033 0.000 0.933 213 E CB -1.453 28.267 29.700 0.033 0.000 1.028 213 E HN 0.117 nan 8.360 nan 0.000 0.487 214 G N 0.969 109.791 108.800 0.036 0.000 2.295 214 G HA2 -0.354 3.649 3.960 0.073 0.000 0.287 214 G HA3 -0.354 3.649 3.960 0.073 0.000 0.287 214 G C -0.082 174.836 174.900 0.030 0.000 1.055 214 G CA 0.300 45.421 45.100 0.035 0.000 0.922 214 G HN 0.296 nan 8.290 nan 0.000 0.503 215 Q N -1.002 118.819 119.800 0.035 0.000 2.309 215 Q HA 0.681 5.064 4.340 0.073 0.000 0.264 215 Q C -0.178 175.813 176.000 -0.015 0.000 1.008 215 Q CA -0.722 55.083 55.803 0.004 0.000 0.853 215 Q CB 2.088 30.827 28.738 0.003 0.000 1.314 215 Q HN 0.323 nan 8.270 nan 0.000 0.448 216 V N 4.089 123.948 119.914 -0.092 0.000 2.370 216 V HA 0.585 4.749 4.120 0.073 0.000 0.279 216 V C -0.700 175.236 176.094 -0.264 0.000 1.029 216 V CA -0.461 61.712 62.300 -0.210 0.000 0.870 216 V CB 1.336 32.952 31.823 -0.347 0.000 0.984 216 V HN 0.617 nan 8.190 nan 0.000 0.451 217 V N 3.724 123.405 119.914 -0.389 0.000 2.841 217 V HA 0.331 4.495 4.120 0.073 0.000 0.310 217 V C -0.332 175.438 176.094 -0.541 0.000 1.090 217 V CA -0.685 61.280 62.300 -0.559 0.000 0.930 217 V CB 2.208 33.402 31.823 -1.049 0.000 1.014 217 V HN 0.873 nan 8.190 nan 0.000 0.425 218 C N 4.328 123.475 119.300 -0.255 0.000 2.252 218 C HA 0.348 4.852 4.460 0.073 0.000 0.342 218 C C 1.487 176.379 174.990 -0.163 0.000 1.110 218 C CA -0.329 58.676 59.018 -0.021 0.000 1.581 218 C CB -1.655 26.109 27.740 0.040 0.000 2.087 218 C HN 0.852 nan 8.230 nan 0.000 0.500 219 F N 0.758 120.756 119.950 0.079 0.000 2.163 219 F HA 0.015 4.583 4.527 0.068 0.000 0.297 219 F C 1.321 177.132 175.800 0.018 0.000 1.094 219 F CA 1.496 59.521 58.000 0.041 0.000 1.290 219 F CB 0.066 39.091 39.000 0.041 0.000 1.017 219 F HN 0.448 nan 8.300 nan 0.000 0.483 220 D N -1.433 119.084 120.400 0.195 0.000 2.661 220 D HA 0.641 5.324 4.640 0.073 0.000 0.228 220 D C -0.963 175.370 176.300 0.055 0.000 1.183 220 D CA -0.289 53.768 54.000 0.095 0.000 0.844 220 D CB 2.202 43.059 40.800 0.096 0.000 1.555 220 D HN -0.000 nan 8.370 nan 0.000 0.453 221 A N 1.035 123.861 122.820 0.010 0.000 2.594 221 A HA 0.655 5.018 4.320 0.073 0.000 0.295 221 A C -1.282 176.284 177.584 -0.030 0.000 1.071 221 A CA -0.810 51.215 52.037 -0.020 0.000 0.685 221 A CB 2.027 21.002 19.000 -0.042 0.000 1.285 221 A HN 0.431 nan 8.150 nan 0.000 0.405 222 K N 1.700 122.075 120.400 -0.042 0.000 2.397 222 K HA 0.779 5.143 4.320 0.073 0.000 0.253 222 K C -1.775 174.770 176.600 -0.091 0.000 0.932 222 K CA -0.407 55.853 56.287 -0.044 0.000 0.795 222 K CB 1.244 33.734 32.500 -0.016 0.000 1.159 222 K HN 0.582 nan 8.250 nan 0.000 0.424 223 I N 3.191 123.682 120.570 -0.130 0.000 2.433 223 I HA 0.294 4.508 4.170 0.073 0.000 0.292 223 I C -0.676 175.243 176.117 -0.329 0.000 1.001 223 I CA -0.931 60.192 61.300 -0.296 0.000 1.119 223 I CB 2.047 39.755 38.000 -0.487 0.000 1.289 223 I HN 0.656 nan 8.210 nan 0.000 0.438 224 N N 5.652 124.162 118.700 -0.318 0.000 2.408 224 N HA 0.518 5.301 4.740 0.073 0.000 0.280 224 N C -1.253 174.067 175.510 -0.317 0.000 1.002 224 N CA -0.586 52.348 53.050 -0.193 0.000 0.907 224 N CB 1.435 39.878 38.487 -0.073 0.000 1.161 224 N HN 0.280 nan 8.380 nan 0.000 0.488 225 F N 0.291 120.180 119.950 -0.101 0.000 2.399 225 F HA 0.168 4.747 4.527 0.087 0.000 0.328 225 F C 0.881 176.678 175.800 -0.004 0.000 1.084 225 F CA -0.835 57.109 58.000 -0.094 0.000 1.053 225 F CB 0.757 39.631 39.000 -0.210 0.000 1.209 225 F HN 0.355 nan 8.300 nan 0.000 0.502 226 D N 1.945 122.469 120.400 0.207 0.000 2.344 226 D HA 0.015 4.698 4.640 0.073 0.000 0.253 226 D C 0.754 177.219 176.300 0.276 0.000 1.255 226 D CA 0.092 54.183 54.000 0.152 0.000 0.894 226 D CB 0.419 41.249 40.800 0.049 0.000 1.067 226 D HN 0.417 nan 8.370 nan 0.000 0.492 227 D N 3.245 123.803 120.400 0.264 0.000 2.190 227 D HA -0.184 4.500 4.640 0.073 0.000 0.200 227 D C 1.104 177.448 176.300 0.074 0.000 0.992 227 D CA 0.797 54.974 54.000 0.294 0.000 0.854 227 D CB 0.201 41.127 40.800 0.211 0.000 0.936 227 D HN 0.460 nan 8.370 nan 0.000 0.462 228 N N 0.660 119.399 118.700 0.065 0.000 2.364 228 N HA -0.101 4.682 4.740 0.073 0.000 0.183 228 N C 1.413 176.905 175.510 -0.030 0.000 1.022 228 N CA 0.783 53.862 53.050 0.049 0.000 0.883 228 N CB -0.193 38.341 38.487 0.078 0.000 0.965 228 N HN 0.134 nan 8.380 nan 0.000 0.438 229 A N 0.237 122.967 122.820 -0.149 0.000 2.251 229 A HA 0.012 4.375 4.320 0.073 0.000 0.209 229 A C 1.892 179.058 177.584 -0.696 0.000 1.187 229 A CA 0.124 51.909 52.037 -0.420 0.000 0.823 229 A CB -0.333 18.533 19.000 -0.224 0.000 0.846 229 A HN 0.292 nan 8.150 nan 0.000 0.486 230 E N 0.229 119.936 120.200 -0.822 0.000 2.114 230 E HA -0.275 4.119 4.350 0.073 0.000 0.199 230 E C 1.546 177.743 176.600 -0.671 0.000 1.008 230 E CA 1.959 57.586 56.400 -1.290 0.000 0.810 230 E CB -0.336 28.561 29.700 -1.339 0.000 0.739 230 E HN 0.843 nan 8.360 nan 0.000 0.456 231 F N 1.004 120.762 119.950 -0.320 0.000 2.408 231 F HA -0.074 4.497 4.527 0.074 0.000 0.300 231 F C 1.947 177.662 175.800 -0.141 0.000 1.090 231 F CA 1.109 58.994 58.000 -0.193 0.000 1.427 231 F CB -0.372 38.548 39.000 -0.133 0.000 1.070 231 F HN -0.046 nan 8.300 nan 0.000 0.549 232 R N -0.280 119.740 120.500 -0.799 0.000 2.543 232 R HA 0.285 4.668 4.340 0.073 0.000 0.323 232 R C 0.070 176.210 176.300 -0.267 0.000 1.002 232 R CA -0.139 55.702 56.100 -0.432 0.000 1.106 232 R CB -0.082 29.901 30.300 -0.529 0.000 1.280 232 R HN 0.248 nan 8.270 nan 0.000 0.549 233 Q N 1.552 121.198 119.800 -0.257 0.000 2.215 233 Q HA 0.112 4.495 4.340 0.073 0.000 0.337 233 Q C 0.295 176.292 176.000 -0.006 0.000 0.887 233 Q CA -0.051 55.707 55.803 -0.076 0.000 1.134 233 Q CB 1.513 30.283 28.738 0.054 0.000 1.303 233 Q HN 0.330 nan 8.270 nan 0.000 0.421 234 K N 0.909 121.273 120.400 -0.061 0.000 2.032 234 K HA -0.200 4.163 4.320 0.073 0.000 0.209 234 K C 0.633 177.246 176.600 0.022 0.000 1.048 234 K CA 1.929 58.202 56.287 -0.024 0.000 0.927 234 K CB 0.340 32.822 32.500 -0.030 0.000 0.712 234 K HN 0.036 nan 8.250 nan 0.000 0.441 235 D N 0.937 121.337 120.400 0.002 0.000 2.123 235 D HA -0.167 4.517 4.640 0.073 0.000 0.196 235 D C 2.051 178.330 176.300 -0.036 0.000 0.992 235 D CA 1.307 55.301 54.000 -0.009 0.000 0.833 235 D CB -0.176 40.617 40.800 -0.012 0.000 0.954 235 D HN 0.353 nan 8.370 nan 0.000 0.455 236 I N 0.007 120.543 120.570 -0.057 0.000 2.252 236 I HA -0.246 3.968 4.170 0.073 0.000 0.245 236 I C 2.075 178.028 176.117 -0.273 0.000 1.102 236 I CA 0.792 61.964 61.300 -0.213 0.000 1.385 236 I CB -0.205 37.573 38.000 -0.371 0.000 1.064 236 I HN -0.122 nan 8.210 nan 0.000 0.414 237 F N 1.022 120.801 119.950 -0.285 0.000 2.293 237 F HA -0.113 4.457 4.527 0.072 0.000 0.300 237 F C 2.554 178.259 175.800 -0.159 0.000 1.086 237 F CA 1.035 58.892 58.000 -0.238 0.000 1.375 237 F CB -0.823 38.071 39.000 -0.177 0.000 1.045 237 F HN 0.000 nan 8.300 nan 0.000 0.516 238 A N -0.315 122.524 122.820 0.032 0.000 1.972 238 A HA -0.186 4.178 4.320 0.073 0.000 0.219 238 A C 2.160 179.721 177.584 -0.039 0.000 1.169 238 A CA 1.375 53.414 52.037 0.003 0.000 0.635 238 A CB -0.721 18.281 19.000 0.003 0.000 0.810 238 A HN 0.347 nan 8.150 nan 0.000 0.446 239 M N 0.024 119.571 119.600 -0.088 0.000 2.630 239 M HA -0.030 4.493 4.480 0.073 0.000 0.254 239 M C 0.197 176.420 176.300 -0.128 0.000 1.092 239 M CA 0.129 55.366 55.300 -0.106 0.000 1.087 239 M CB -0.523 31.987 32.600 -0.150 0.000 1.453 239 M HN 0.272 nan 8.290 nan 0.000 0.509 240 D N 2.504 122.817 120.400 -0.146 0.000 2.520 240 D HA -0.071 4.613 4.640 0.073 0.000 0.243 240 D C -0.681 175.571 176.300 -0.079 0.000 1.160 240 D CA 0.604 54.517 54.000 -0.146 0.000 0.877 240 D CB 0.329 41.047 40.800 -0.137 0.000 1.150 240 D HN 0.101 nan 8.370 nan 0.000 0.494 241 D N 2.761 123.118 120.400 -0.072 0.000 2.313 241 D HA 0.192 4.875 4.640 0.073 0.000 0.239 241 D C 0.141 176.425 176.300 -0.026 0.000 1.142 241 D CA -0.379 53.600 54.000 -0.034 0.000 0.847 241 D CB 0.597 41.385 40.800 -0.021 0.000 1.082 241 D HN 0.280 nan 8.370 nan 0.000 0.480 242 K N 1.423 121.814 120.400 -0.015 0.000 2.414 242 K HA 0.050 4.413 4.320 0.073 0.000 0.204 242 K C 1.360 177.958 176.600 -0.004 0.000 1.026 242 K CA -0.011 56.270 56.287 -0.011 0.000 1.108 242 K CB 0.575 33.066 32.500 -0.015 0.000 0.855 242 K HN 0.379 nan 8.250 nan 0.000 0.517 243 S N 0.595 116.296 115.700 0.002 0.000 2.555 243 S HA -0.049 4.464 4.470 0.073 0.000 0.230 243 S C 1.071 175.677 174.600 0.010 0.000 0.978 243 S CA 0.690 58.895 58.200 0.009 0.000 0.934 243 S CB -0.046 63.164 63.200 0.018 0.000 0.766 243 S HN 0.277 nan 8.310 nan 0.000 0.533 244 E N 0.548 120.753 120.200 0.009 0.000 2.660 244 E HA 0.252 4.646 4.350 0.073 0.000 0.216 244 E C -0.671 175.936 176.600 0.011 0.000 0.986 244 E CA -0.383 56.024 56.400 0.010 0.000 1.037 244 E CB 0.360 30.066 29.700 0.011 0.000 1.041 244 E HN 0.432 nan 8.360 nan 0.000 0.480 245 N N 1.653 120.359 118.700 0.010 0.000 2.508 245 N HA 0.093 4.877 4.740 0.073 0.000 0.285 245 N C -0.051 175.471 175.510 0.020 0.000 1.144 245 N CA -0.204 52.856 53.050 0.017 0.000 0.978 245 N CB 0.967 39.463 38.487 0.015 0.000 1.180 245 N HN -0.013 nan 8.380 nan 0.000 0.484 246 E N 1.865 122.087 120.200 0.036 0.000 2.415 246 E HA 0.023 4.417 4.350 0.073 0.000 0.260 246 E C -1.349 175.263 176.600 0.020 0.000 1.016 246 E CA -1.457 54.968 56.400 0.042 0.000 0.924 246 E CB 0.426 30.175 29.700 0.081 0.000 0.961 246 E HN 0.328 nan 8.360 nan 0.000 0.459 247 P HA -0.253 nan 4.420 nan 0.000 0.218 247 P C 1.384 178.645 177.300 -0.065 0.000 1.165 247 P CA 1.416 64.501 63.100 -0.026 0.000 0.922 247 P CB 0.096 31.785 31.700 -0.018 0.000 0.794 248 I N -0.798 119.718 120.570 -0.089 0.000 2.194 248 I HA -0.265 3.948 4.170 0.073 0.000 0.246 248 I C 2.337 178.301 176.117 -0.256 0.000 1.093 248 I CA 1.558 62.718 61.300 -0.234 0.000 1.355 248 I CB -0.801 36.969 38.000 -0.383 0.000 1.046 248 I HN 0.064 nan 8.210 nan 0.000 0.413 249 E N 1.008 121.173 120.200 -0.059 0.000 2.070 249 E HA -0.229 4.164 4.350 0.073 0.000 0.197 249 E C 1.902 178.498 176.600 -0.007 0.000 1.004 249 E CA 1.369 57.814 56.400 0.074 0.000 0.805 249 E CB -0.397 29.378 29.700 0.124 0.000 0.744 249 E HN 0.561 nan 8.360 nan 0.000 0.451 250 N N 0.959 119.634 118.700 -0.042 0.000 2.058 250 N HA -0.159 4.625 4.740 0.073 0.000 0.191 250 N C 1.869 177.288 175.510 -0.152 0.000 1.037 250 N CA 1.008 54.015 53.050 -0.071 0.000 0.848 250 N CB -0.465 37.986 38.487 -0.061 0.000 1.021 250 N HN 0.129 nan 8.380 nan 0.000 0.422 251 E N 0.986 121.070 120.200 -0.194 0.000 2.049 251 E HA -0.110 4.283 4.350 0.073 0.000 0.198 251 E C 1.889 178.221 176.600 -0.447 0.000 1.007 251 E CA 1.570 57.767 56.400 -0.338 0.000 0.809 251 E CB -0.486 29.090 29.700 -0.206 0.000 0.749 251 E HN 0.380 nan 8.360 nan 0.000 0.450 252 A N 0.406 123.094 122.820 -0.219 0.000 1.986 252 A HA -0.193 4.171 4.320 0.073 0.000 0.220 252 A C 2.323 179.872 177.584 -0.058 0.000 1.171 252 A CA 2.169 54.166 52.037 -0.067 0.000 0.640 252 A CB -0.836 18.164 19.000 -0.001 0.000 0.811 252 A HN 0.330 nan 8.150 nan 0.000 0.451 253 A N -0.374 122.390 122.820 -0.093 0.000 2.014 253 A HA -0.062 4.302 4.320 0.073 0.000 0.218 253 A C 2.029 179.551 177.584 -0.103 0.000 1.163 253 A CA 1.545 53.553 52.037 -0.048 0.000 0.652 253 A CB -0.314 18.675 19.000 -0.017 0.000 0.808 253 A HN 0.582 nan 8.150 nan 0.000 0.449 254 K N -0.740 119.498 120.400 -0.270 0.000 2.009 254 K HA -0.162 4.201 4.320 0.073 0.000 0.210 254 K C 0.951 177.459 176.600 -0.153 0.000 1.049 254 K CA 1.806 57.917 56.287 -0.293 0.000 0.929 254 K CB -0.469 31.688 32.500 -0.571 0.000 0.714 254 K HN 0.639 nan 8.250 nan 0.000 0.440 255 Y N 1.730 122.031 120.300 0.002 0.000 2.471 255 Y HA 0.054 4.648 4.550 0.073 0.000 0.321 255 Y C -0.409 175.495 175.900 0.007 0.000 1.195 255 Y CA -0.398 57.704 58.100 0.002 0.000 1.272 255 Y CB -1.096 37.362 38.460 -0.005 0.000 1.097 255 Y HN 0.150 nan 8.280 nan 0.000 0.507 256 D N -0.285 120.179 120.400 0.107 0.000 2.870 256 D HA -0.212 4.471 4.640 0.073 0.000 0.228 256 D C -0.541 175.815 176.300 0.094 0.000 1.147 256 D CA 0.600 54.651 54.000 0.085 0.000 0.757 256 D CB -1.374 39.471 40.800 0.074 0.000 1.091 256 D HN 0.390 nan 8.370 nan 0.000 0.429 257 L N 0.079 121.368 121.223 0.111 0.000 2.309 257 L HA 0.294 4.678 4.340 0.073 0.000 0.282 257 L C 0.886 177.843 176.870 0.145 0.000 1.036 257 L CA -0.763 54.145 54.840 0.112 0.000 0.806 257 L CB 1.335 43.463 42.059 0.115 0.000 1.220 257 L HN -0.289 nan 8.230 nan 0.000 0.429 258 K N 3.582 124.074 120.400 0.152 0.000 2.220 258 K HA 0.189 4.553 4.320 0.073 0.000 0.283 258 K C -1.134 175.639 176.600 0.288 0.000 1.098 258 K CA -0.086 56.335 56.287 0.224 0.000 0.928 258 K CB 0.085 32.748 32.500 0.273 0.000 1.214 258 K HN 0.303 nan 8.250 nan 0.000 0.442 259 Y N 3.467 123.857 120.300 0.150 0.000 2.352 259 Y HA 0.455 5.048 4.550 0.073 0.000 0.339 259 Y C -0.806 175.201 175.900 0.179 0.000 0.992 259 Y CA -1.104 57.086 58.100 0.150 0.000 1.100 259 Y CB 0.890 39.398 38.460 0.081 0.000 1.192 259 Y HN 0.385 nan 8.280 nan 0.000 0.458 260 I N 6.123 126.530 120.570 -0.272 0.000 2.468 260 I HA 0.360 4.574 4.170 0.073 0.000 0.285 260 I C 0.286 176.137 176.117 -0.444 0.000 1.039 260 I CA -0.909 60.285 61.300 -0.177 0.000 1.074 260 I CB 1.721 39.688 38.000 -0.056 0.000 1.228 260 I HN 0.877 nan 8.210 nan 0.000 0.436 261 G N 6.693 115.348 108.800 -0.240 0.000 2.483 261 G HA2 0.589 4.592 3.960 0.073 0.000 0.248 261 G HA3 0.589 4.592 3.960 0.073 0.000 0.248 261 G C -0.457 174.413 174.900 -0.050 0.000 1.248 261 G CA -0.115 44.919 45.100 -0.110 0.000 0.838 261 G HN 0.464 nan 8.290 nan 0.000 0.566 262 L N 0.095 121.304 121.223 -0.024 0.000 2.171 262 L HA 0.452 4.836 4.340 0.073 0.000 0.253 262 L C 0.232 177.117 176.870 0.026 0.000 1.054 262 L CA -0.938 53.900 54.840 -0.003 0.000 0.927 262 L CB 1.788 43.844 42.059 -0.005 0.000 1.513 262 L HN 0.631 nan 8.230 nan 0.000 0.471 263 D N -1.259 119.158 120.400 0.029 0.000 2.424 263 D HA 0.189 4.873 4.640 0.073 0.000 0.220 263 D C 0.532 176.859 176.300 0.045 0.000 1.150 263 D CA -0.173 53.850 54.000 0.039 0.000 0.831 263 D CB 0.311 41.130 40.800 0.033 0.000 0.981 263 D HN 0.483 nan 8.370 nan 0.000 0.500 264 G N 0.525 109.354 108.800 0.048 0.000 2.535 264 G HA2 0.272 4.276 3.960 0.073 0.000 0.282 264 G HA3 0.272 4.276 3.960 0.073 0.000 0.282 264 G C 0.659 175.590 174.900 0.052 0.000 1.350 264 G CA -0.449 44.682 45.100 0.052 0.000 1.039 264 G HN 0.261 nan 8.290 nan 0.000 0.509 265 N N -1.862 116.866 118.700 0.048 0.000 2.143 265 N HA 0.111 4.894 4.740 0.073 0.000 0.222 265 N C -0.130 175.407 175.510 0.044 0.000 1.264 265 N CA -0.140 52.938 53.050 0.046 0.000 0.897 265 N CB 0.493 39.003 38.487 0.039 0.000 1.092 265 N HN 0.337 nan 8.380 nan 0.000 0.516 266 I N 1.587 122.182 120.570 0.042 0.000 2.306 266 I HA 0.462 4.676 4.170 0.073 0.000 0.288 266 I C 0.194 176.332 176.117 0.035 0.000 1.036 266 I CA -0.870 60.450 61.300 0.033 0.000 1.221 266 I CB 1.238 39.254 38.000 0.025 0.000 1.385 266 I HN 0.075 nan 8.210 nan 0.000 0.472 267 A N 6.104 128.948 122.820 0.040 0.000 2.332 267 A HA 0.645 5.009 4.320 0.073 0.000 0.258 267 A C -0.128 177.462 177.584 0.010 0.000 1.087 267 A CA -0.305 51.763 52.037 0.051 0.000 0.802 267 A CB 0.522 19.574 19.000 0.087 0.000 1.042 267 A HN 0.934 nan 8.150 nan 0.000 0.489 268 C N -0.346 118.967 119.300 0.021 0.000 3.090 268 C HA 0.849 5.353 4.460 0.073 0.000 0.347 268 C C -0.978 174.033 174.990 0.034 0.000 1.147 268 C CA -1.171 57.821 59.018 -0.043 0.000 1.305 268 C CB -0.002 27.706 27.740 -0.053 0.000 1.692 268 C HN 1.298 nan 8.230 nan 0.000 0.506 269 F N 1.250 121.115 119.950 -0.140 0.000 2.565 269 F HA 0.966 5.536 4.527 0.072 0.000 0.313 269 F C -1.038 174.688 175.800 -0.123 0.000 1.091 269 F CA -1.179 56.723 58.000 -0.163 0.000 0.915 269 F CB 1.283 40.166 39.000 -0.196 0.000 1.208 269 F HN 0.589 nan 8.300 nan 0.000 0.453 270 V N 2.032 122.013 119.914 0.111 0.000 3.114 270 V HA 0.451 4.615 4.120 0.073 0.000 0.308 270 V C -1.264 174.855 176.094 0.043 0.000 1.168 270 V CA -1.091 61.233 62.300 0.039 0.000 1.015 270 V CB 2.392 34.191 31.823 -0.040 0.000 1.050 270 V HN 0.933 nan 8.190 nan 0.000 0.433 271 N N 1.762 120.497 118.700 0.058 0.000 2.425 271 N HA 0.661 5.444 4.740 0.073 0.000 0.268 271 N C -0.125 175.400 175.510 0.025 0.000 0.991 271 N CA 0.259 53.338 53.050 0.048 0.000 0.931 271 N CB 1.836 40.369 38.487 0.076 0.000 1.130 271 N HN 1.447 nan 8.380 nan 0.000 0.493 272 G N 0.085 108.892 108.800 0.010 0.000 3.363 272 G HA2 0.229 4.233 3.960 0.073 0.000 0.685 272 G HA3 0.229 4.233 3.960 0.073 0.000 0.685 272 G C 0.472 175.391 174.900 0.031 0.000 1.199 272 G CA -0.282 44.830 45.100 0.020 0.000 0.946 272 G HN 0.800 nan 8.290 nan 0.000 0.558 273 A N 1.480 124.354 122.820 0.090 0.000 1.877 273 A HA 0.269 4.633 4.320 0.073 0.000 0.216 273 A C 2.801 180.502 177.584 0.195 0.000 1.186 273 A CA 2.752 54.916 52.037 0.211 0.000 0.620 273 A CB -0.834 18.290 19.000 0.207 0.000 0.822 273 A HN 2.282 nan 8.150 nan 0.000 0.443 274 G N -0.328 108.535 108.800 0.105 0.000 2.421 274 G HA2 -0.148 3.856 3.960 0.073 0.000 0.216 274 G HA3 -0.148 3.856 3.960 0.073 0.000 0.216 274 G C 1.495 176.440 174.900 0.075 0.000 1.171 274 G CA 1.209 46.357 45.100 0.080 0.000 0.775 274 G HN 0.443 nan 8.290 nan 0.000 0.543 275 L N 1.385 122.637 121.223 0.048 0.000 2.046 275 L HA 0.130 4.514 4.340 0.073 0.000 0.208 275 L C 3.109 180.006 176.870 0.044 0.000 1.077 275 L CA 2.080 56.942 54.840 0.037 0.000 0.747 275 L CB -0.761 41.312 42.059 0.024 0.000 0.896 275 L HN 0.255 nan 8.230 nan 0.000 0.432 276 A N -0.853 121.984 122.820 0.028 0.000 1.877 276 A HA -0.257 4.107 4.320 0.073 0.000 0.216 276 A C 2.306 179.986 177.584 0.160 0.000 1.186 276 A CA 2.190 54.207 52.037 -0.034 0.000 0.620 276 A CB -0.571 18.191 19.000 -0.397 0.000 0.822 276 A HN 0.497 nan 8.150 nan 0.000 0.443 277 M N -0.569 119.216 119.600 0.309 0.000 2.080 277 M HA -0.213 4.311 4.480 0.073 0.000 0.260 277 M C 2.542 178.917 176.300 0.125 0.000 1.068 277 M CA 1.630 57.072 55.300 0.236 0.000 1.109 277 M CB -0.473 32.219 32.600 0.153 0.000 1.342 277 M HN 0.503 nan 8.290 nan 0.000 0.405 278 A N -0.265 122.611 122.820 0.094 0.000 1.940 278 A HA -0.154 4.209 4.320 0.073 0.000 0.219 278 A C 2.144 179.770 177.584 0.070 0.000 1.176 278 A CA 2.239 54.318 52.037 0.070 0.000 0.631 278 A CB -1.081 17.951 19.000 0.054 0.000 0.814 278 A HN 0.503 nan 8.150 nan 0.000 0.446 279 T N -1.037 113.556 114.554 0.065 0.000 2.737 279 T HA -0.164 4.230 4.350 0.073 0.000 0.265 279 T C 1.914 176.654 174.700 0.068 0.000 1.038 279 T CA 1.411 63.541 62.100 0.051 0.000 1.144 279 T CB -0.717 68.163 68.868 0.020 0.000 0.866 279 T HN 0.550 nan 8.240 nan 0.000 0.434 280 C N 1.822 121.174 119.300 0.087 0.000 2.398 280 C HA -0.126 4.378 4.460 0.073 0.000 0.276 280 C C 2.635 177.694 174.990 0.115 0.000 1.222 280 C CA 0.761 59.838 59.018 0.100 0.000 1.746 280 C CB -1.040 26.770 27.740 0.117 0.000 2.039 280 C HN 0.556 nan 8.230 nan 0.000 0.470 281 D N 0.106 120.568 120.400 0.103 0.000 2.117 281 D HA -0.094 4.590 4.640 0.073 0.000 0.197 281 D C 1.868 178.272 176.300 0.174 0.000 0.987 281 D CA 0.984 55.060 54.000 0.127 0.000 0.829 281 D CB -0.506 40.348 40.800 0.090 0.000 0.961 281 D HN 0.484 nan 8.370 nan 0.000 0.460 282 I N 0.378 121.017 120.570 0.115 0.000 2.761 282 I HA -0.122 4.092 4.170 0.073 0.000 0.261 282 I C 1.915 178.080 176.117 0.080 0.000 1.198 282 I CA 0.439 61.794 61.300 0.091 0.000 1.482 282 I CB 0.166 38.202 38.000 0.060 0.000 1.100 282 I HN -0.074 nan 8.210 nan 0.000 0.445 283 I N 0.146 120.772 120.570 0.093 0.000 2.252 283 I HA -0.315 3.899 4.170 0.073 0.000 0.245 283 I C 2.344 178.515 176.117 0.090 0.000 1.102 283 I CA 1.415 62.759 61.300 0.073 0.000 1.385 283 I CB -0.377 37.668 38.000 0.075 0.000 1.064 283 I HN 0.246 nan 8.210 nan 0.000 0.414 284 F N 1.611 121.568 119.950 0.011 0.000 2.102 284 F HA -0.190 4.382 4.527 0.075 0.000 0.298 284 F C 2.191 177.996 175.800 0.008 0.000 1.105 284 F CA 1.597 59.602 58.000 0.009 0.000 1.239 284 F CB -0.286 38.720 39.000 0.010 0.000 0.991 284 F HN -0.123 nan 8.300 nan 0.000 0.474 285 L N 0.392 121.628 121.223 0.022 0.000 2.187 285 L HA -0.240 4.144 4.340 0.073 0.000 0.213 285 L C 1.389 178.163 176.870 -0.161 0.000 1.100 285 L CA 1.123 55.900 54.840 -0.104 0.000 0.765 285 L CB -0.669 41.419 42.059 0.049 0.000 0.904 285 L HN 0.239 nan 8.230 nan 0.000 0.437 286 N N -0.205 118.432 118.700 -0.105 0.000 2.270 286 N HA 0.066 4.850 4.740 0.073 0.000 0.198 286 N C 1.180 176.624 175.510 -0.111 0.000 1.117 286 N CA 0.925 53.923 53.050 -0.086 0.000 0.845 286 N CB 1.062 39.527 38.487 -0.037 0.000 0.980 286 N HN 0.395 nan 8.380 nan 0.000 0.486 287 G N -0.357 108.330 108.800 -0.188 0.000 2.159 287 G HA2 -0.176 3.827 3.960 0.073 0.000 0.227 287 G HA3 -0.176 3.827 3.960 0.073 0.000 0.227 287 G C 0.339 175.179 174.900 -0.100 0.000 0.986 287 G CA -0.075 44.922 45.100 -0.173 0.000 0.651 287 G HN 0.576 nan 8.290 nan 0.000 0.523 288 G N -0.691 108.075 108.800 -0.057 0.000 2.597 288 G HA2 0.671 4.674 3.960 0.073 0.000 0.317 288 G HA3 0.671 4.674 3.960 0.073 0.000 0.317 288 G C -0.579 174.358 174.900 0.061 0.000 1.230 288 G CA -0.851 44.251 45.100 0.003 0.000 0.996 288 G HN 0.313 nan 8.290 nan 0.000 0.490 289 K N 1.943 122.385 120.400 0.071 0.000 2.425 289 K HA 0.338 4.701 4.320 0.073 0.000 0.259 289 K C -2.570 174.077 176.600 0.079 0.000 0.978 289 K CA -1.583 54.764 56.287 0.101 0.000 0.883 289 K CB 2.582 35.132 32.500 0.083 0.000 1.110 289 K HN 0.301 nan 8.250 nan 0.000 0.436 290 P HA -0.026 nan 4.420 nan 0.000 0.271 290 P C -0.161 177.169 177.300 0.049 0.000 1.218 290 P CA 0.013 63.150 63.100 0.062 0.000 0.780 290 P CB 1.349 33.090 31.700 0.067 0.000 0.901 291 A N 2.869 125.715 122.820 0.044 0.000 2.081 291 A HA 0.061 4.425 4.320 0.073 0.000 0.214 291 A C 0.865 178.462 177.584 0.022 0.000 1.158 291 A CA 0.724 52.791 52.037 0.050 0.000 0.724 291 A CB -0.431 18.612 19.000 0.072 0.000 0.826 291 A HN 0.821 nan 8.150 nan 0.000 0.463 292 N N -2.358 116.334 118.700 -0.013 0.000 3.348 292 N HA 0.210 4.994 4.740 0.073 0.000 0.233 292 N C -1.499 173.978 175.510 -0.055 0.000 1.440 292 N CA -0.540 52.429 53.050 -0.135 0.000 0.887 292 N CB 0.517 38.826 38.487 -0.296 0.000 1.410 292 N HN 0.067 nan 8.380 nan 0.000 0.502 293 F N 0.870 120.652 119.950 -0.281 0.000 2.458 293 F HA 0.764 5.337 4.527 0.076 0.000 0.336 293 F C -1.458 174.237 175.800 -0.175 0.000 1.114 293 F CA -0.792 57.111 58.000 -0.161 0.000 0.987 293 F CB 1.132 40.050 39.000 -0.137 0.000 1.130 293 F HN 0.525 nan 8.300 nan 0.000 0.458 294 L N 6.343 127.155 121.223 -0.686 0.000 2.516 294 L HA 0.406 4.789 4.340 0.073 0.000 0.267 294 L C -1.985 174.552 176.870 -0.555 0.000 0.957 294 L CA -0.318 54.274 54.840 -0.414 0.000 0.860 294 L CB 1.552 43.578 42.059 -0.055 0.000 1.265 294 L HN 0.664 nan 8.230 nan 0.000 0.403 295 D N 4.306 124.434 120.400 -0.452 0.000 2.349 295 D HA 0.334 5.018 4.640 0.073 0.000 0.232 295 D C 0.568 176.823 176.300 -0.075 0.000 1.071 295 D CA -0.192 53.651 54.000 -0.262 0.000 0.832 295 D CB 1.219 41.934 40.800 -0.143 0.000 1.086 295 D HN 0.641 nan 8.370 nan 0.000 0.504 296 L N 2.968 124.163 121.223 -0.047 0.000 2.554 296 L HA 0.315 4.698 4.340 0.073 0.000 0.226 296 L C 1.435 178.310 176.870 0.009 0.000 1.137 296 L CA 0.341 55.168 54.840 -0.021 0.000 0.863 296 L CB -0.768 41.284 42.059 -0.011 0.000 0.985 296 L HN 0.683 nan 8.230 nan 0.000 0.451 297 G N -0.410 108.399 108.800 0.014 0.000 2.795 297 G HA2 -0.178 3.826 3.960 0.073 0.000 0.664 297 G HA3 -0.178 3.826 3.960 0.073 0.000 0.664 297 G C 0.579 175.498 174.900 0.032 0.000 1.381 297 G CA -0.445 44.672 45.100 0.029 0.000 0.853 297 G HN 0.212 nan 8.290 nan 0.000 0.545 298 G N -0.154 108.665 108.800 0.031 0.000 2.464 298 G HA2 0.463 4.467 3.960 0.073 0.000 0.217 298 G HA3 0.463 4.467 3.960 0.073 0.000 0.217 298 G C 1.217 176.138 174.900 0.035 0.000 1.138 298 G CA 1.139 46.258 45.100 0.033 0.000 0.793 298 G HN 1.831 nan 8.290 nan 0.000 0.539 299 G N 0.234 109.052 108.800 0.030 0.000 2.428 299 G HA2 0.364 4.368 3.960 0.073 0.000 0.293 299 G HA3 0.364 4.368 3.960 0.073 0.000 0.293 299 G C -0.678 174.242 174.900 0.033 0.000 1.059 299 G CA -0.204 44.913 45.100 0.028 0.000 1.194 299 G HN 0.284 nan 8.290 nan 0.000 0.435 300 V N 4.358 124.297 119.914 0.042 0.000 2.259 300 V HA 0.392 4.556 4.120 0.073 0.000 0.267 300 V C 0.103 176.226 176.094 0.049 0.000 1.051 300 V CA -0.816 61.515 62.300 0.051 0.000 0.830 300 V CB -0.029 31.837 31.823 0.071 0.000 1.080 300 V HN 0.631 nan 8.190 nan 0.000 0.467 301 K N 3.596 124.018 120.400 0.037 0.000 2.143 301 K HA 0.310 4.674 4.320 0.073 0.000 0.272 301 K C 1.131 177.756 176.600 0.041 0.000 1.001 301 K CA -0.138 56.168 56.287 0.032 0.000 0.915 301 K CB 1.528 34.038 32.500 0.017 0.000 1.047 301 K HN 0.709 nan 8.250 nan 0.000 0.458 302 E N 1.425 121.651 120.200 0.043 0.000 2.097 302 E HA -0.268 4.126 4.350 0.073 0.000 0.196 302 E C 1.157 177.795 176.600 0.064 0.000 1.000 302 E CA 2.125 58.562 56.400 0.062 0.000 0.804 302 E CB 0.121 29.846 29.700 0.041 0.000 0.740 302 E HN 0.666 nan 8.360 nan 0.000 0.454 303 S N -0.135 115.575 115.700 0.016 0.000 2.423 303 S HA -0.173 4.341 4.470 0.073 0.000 0.231 303 S C 1.924 176.530 174.600 0.011 0.000 1.014 303 S CA 1.001 59.197 58.200 -0.006 0.000 0.965 303 S CB -0.204 62.965 63.200 -0.051 0.000 0.785 303 S HN 0.334 nan 8.310 nan 0.000 0.495 304 Q N 0.748 120.547 119.800 -0.001 0.000 2.119 304 Q HA 0.017 4.401 4.340 0.073 0.000 0.201 304 Q C 2.324 178.265 176.000 -0.097 0.000 0.972 304 Q CA 1.397 57.176 55.803 -0.040 0.000 0.847 304 Q CB -0.465 28.257 28.738 -0.027 0.000 0.903 304 Q HN 0.457 nan 8.270 nan 0.000 0.433 305 V N 0.124 120.022 119.914 -0.028 0.000 2.287 305 V HA -0.298 3.866 4.120 0.073 0.000 0.248 305 V C 1.881 178.016 176.094 0.069 0.000 1.053 305 V CA 1.973 64.249 62.300 -0.040 0.000 1.027 305 V CB -0.598 31.360 31.823 0.225 0.000 0.646 305 V HN 0.395 nan 8.190 nan 0.000 0.447 306 Y N 0.405 120.729 120.300 0.039 0.000 2.181 306 Y HA -0.237 4.357 4.550 0.072 0.000 0.288 306 Y C 2.740 178.617 175.900 -0.039 0.000 1.146 306 Y CA 1.823 59.960 58.100 0.061 0.000 1.164 306 Y CB -0.066 38.385 38.460 -0.016 0.000 0.982 306 Y HN 0.210 nan 8.280 nan 0.000 0.515 307 Q N -0.229 119.592 119.800 0.034 0.000 2.119 307 Q HA -0.126 4.257 4.340 0.073 0.000 0.201 307 Q C 2.534 178.409 176.000 -0.207 0.000 0.972 307 Q CA 1.254 56.938 55.803 -0.199 0.000 0.847 307 Q CB -0.705 27.818 28.738 -0.358 0.000 0.903 307 Q HN 0.604 nan 8.270 nan 0.000 0.433 308 A N 0.061 122.699 122.820 -0.303 0.000 1.877 308 A HA -0.164 4.200 4.320 0.073 0.000 0.216 308 A C 1.893 179.228 177.584 -0.415 0.000 1.186 308 A CA 1.213 52.952 52.037 -0.497 0.000 0.620 308 A CB -0.836 17.489 19.000 -1.125 0.000 0.822 308 A HN 0.277 nan 8.150 nan 0.000 0.443 309 F N -0.114 119.658 119.950 -0.297 0.000 2.216 309 F HA -0.090 4.481 4.527 0.073 0.000 0.300 309 F C 2.244 177.947 175.800 -0.162 0.000 1.085 309 F CA 1.846 59.757 58.000 -0.149 0.000 1.326 309 F CB -0.174 38.714 39.000 -0.187 0.000 1.027 309 F HN 0.174 nan 8.300 nan 0.000 0.497 310 K N 0.048 120.412 120.400 -0.060 0.000 2.148 310 K HA -0.150 4.213 4.320 0.073 0.000 0.204 310 K C 1.978 178.570 176.600 -0.013 0.000 1.050 310 K CA 0.862 57.110 56.287 -0.065 0.000 0.942 310 K CB -0.293 32.151 32.500 -0.093 0.000 0.724 310 K HN 0.145 nan 8.250 nan 0.000 0.446 311 L N 0.701 121.907 121.223 -0.029 0.000 2.027 311 L HA -0.046 4.338 4.340 0.073 0.000 0.206 311 L C 1.680 178.518 176.870 -0.053 0.000 1.074 311 L CA 1.469 56.280 54.840 -0.047 0.000 0.745 311 L CB -0.202 41.801 42.059 -0.094 0.000 0.898 311 L HN 0.182 nan 8.230 nan 0.000 0.433 312 L N -1.570 119.649 121.223 -0.005 0.000 2.622 312 L HA -0.113 4.271 4.340 0.073 0.000 0.233 312 L C 2.128 179.039 176.870 0.068 0.000 1.156 312 L CA 0.657 55.535 54.840 0.063 0.000 0.866 312 L CB -0.699 41.417 42.059 0.094 0.000 0.980 312 L HN 0.255 nan 8.230 nan 0.000 0.448 313 T N -0.588 113.995 114.554 0.047 0.000 3.014 313 T HA 0.055 4.448 4.350 0.073 0.000 0.263 313 T C 1.882 176.601 174.700 0.032 0.000 1.078 313 T CA 1.035 63.162 62.100 0.046 0.000 1.135 313 T CB 0.209 69.094 68.868 0.029 0.000 0.895 313 T HN 0.428 nan 8.240 nan 0.000 0.480 314 A N 0.698 123.528 122.820 0.017 0.000 2.066 314 A HA 0.058 4.422 4.320 0.073 0.000 0.218 314 A C 1.143 178.741 177.584 0.022 0.000 1.157 314 A CA 0.496 52.539 52.037 0.010 0.000 0.670 314 A CB -0.198 18.791 19.000 -0.017 0.000 0.804 314 A HN 0.420 nan 8.150 nan 0.000 0.453 315 D N 0.107 120.531 120.400 0.040 0.000 2.336 315 D HA 0.206 4.890 4.640 0.073 0.000 0.249 315 D C -1.526 174.809 176.300 0.058 0.000 1.213 315 D CA -1.941 52.098 54.000 0.065 0.000 0.870 315 D CB 1.314 42.179 40.800 0.109 0.000 1.076 315 D HN 0.137 nan 8.370 nan 0.000 0.483 316 P HA -0.012 nan 4.420 nan 0.000 0.236 316 P C 0.763 178.091 177.300 0.046 0.000 1.177 316 P CA 0.422 63.548 63.100 0.043 0.000 0.773 316 P CB 0.553 32.274 31.700 0.035 0.000 0.878 317 K N -0.213 120.219 120.400 0.053 0.000 2.296 317 K HA 0.069 4.433 4.320 0.073 0.000 0.200 317 K C 0.593 177.225 176.600 0.054 0.000 1.048 317 K CA 0.142 56.460 56.287 0.051 0.000 0.966 317 K CB -0.122 32.411 32.500 0.056 0.000 0.754 317 K HN 0.000 nan 8.250 nan 0.000 0.466 318 V N 2.708 122.660 119.914 0.063 0.000 2.509 318 V HA -0.087 4.076 4.120 0.073 0.000 0.297 318 V C 0.998 177.124 176.094 0.053 0.000 1.014 318 V CA 1.035 63.373 62.300 0.065 0.000 1.127 318 V CB 0.641 32.512 31.823 0.080 0.000 0.925 318 V HN 0.288 nan 8.190 nan 0.000 0.480 319 E N 3.015 123.243 120.200 0.046 0.000 2.490 319 E HA 0.490 4.883 4.350 0.073 0.000 0.209 319 E C 0.304 176.925 176.600 0.035 0.000 0.971 319 E CA 0.470 56.892 56.400 0.037 0.000 0.988 319 E CB 1.214 30.932 29.700 0.030 0.000 1.029 319 E HN 0.811 nan 8.360 nan 0.000 0.496 320 A N 0.912 123.755 122.820 0.038 0.000 2.608 320 A HA 0.627 4.990 4.320 0.073 0.000 0.292 320 A C -1.659 175.943 177.584 0.030 0.000 1.066 320 A CA -0.663 51.393 52.037 0.032 0.000 0.676 320 A CB 1.033 20.043 19.000 0.018 0.000 1.277 320 A HN 0.072 nan 8.150 nan 0.000 0.413 321 I N 1.182 121.765 120.570 0.022 0.000 2.498 321 I HA 0.447 4.661 4.170 0.073 0.000 0.290 321 I C -0.753 175.313 176.117 -0.085 0.000 1.032 321 I CA -0.474 60.815 61.300 -0.018 0.000 1.073 321 I CB 1.912 39.929 38.000 0.029 0.000 1.251 321 I HN 0.623 nan 8.210 nan 0.000 0.426 322 L N 7.453 128.596 121.223 -0.133 0.000 2.287 322 L HA 0.599 4.982 4.340 0.073 0.000 0.287 322 L C -1.089 175.591 176.870 -0.315 0.000 1.022 322 L CA -0.581 54.167 54.840 -0.153 0.000 0.814 322 L CB 1.312 43.316 42.059 -0.092 0.000 1.217 322 L HN 0.336 nan 8.230 nan 0.000 0.420 323 V N 4.640 124.343 119.914 -0.352 0.000 2.398 323 V HA 0.400 4.564 4.120 0.073 0.000 0.286 323 V C -0.496 175.453 176.094 -0.242 0.000 1.026 323 V CA -0.580 61.394 62.300 -0.544 0.000 0.868 323 V CB 1.700 33.204 31.823 -0.531 0.000 0.982 323 V HN 0.807 nan 8.190 nan 0.000 0.443 324 N N 4.909 123.506 118.700 -0.171 0.000 2.549 324 N HA 0.574 5.358 4.740 0.073 0.000 0.281 324 N C -1.442 174.079 175.510 0.018 0.000 1.084 324 N CA -0.341 52.679 53.050 -0.049 0.000 0.862 324 N CB 1.085 39.561 38.487 -0.017 0.000 1.333 324 N HN 0.610 nan 8.380 nan 0.000 0.523 325 I N 2.963 123.563 120.570 0.050 0.000 2.466 325 I HA 0.490 4.703 4.170 0.073 0.000 0.289 325 I C -1.421 174.795 176.117 0.164 0.000 1.026 325 I CA -0.873 60.492 61.300 0.109 0.000 1.078 325 I CB 1.546 39.608 38.000 0.103 0.000 1.249 325 I HN 0.460 nan 8.210 nan 0.000 0.429 326 F N 5.812 125.774 119.950 0.021 0.000 3.051 326 F HA 0.716 5.287 4.527 0.073 0.000 0.363 326 F C -0.108 175.705 175.800 0.022 0.000 1.257 326 F CA -0.611 57.400 58.000 0.019 0.000 1.126 326 F CB 1.157 40.166 39.000 0.014 0.000 1.476 326 F HN 0.645 nan 8.300 nan 0.000 0.576 327 G N 2.062 111.116 108.800 0.424 0.000 2.381 327 G HA2 0.545 4.548 3.960 0.073 0.000 0.672 327 G HA3 0.545 4.548 3.960 0.073 0.000 0.672 327 G C -0.427 174.552 174.900 0.133 0.000 1.324 327 G CA 0.061 45.281 45.100 0.201 0.000 0.975 327 G HN 2.199 nan 8.290 nan 0.000 0.593 328 G N -1.634 107.216 108.800 0.084 0.000 2.719 328 G HA2 0.281 4.285 3.960 0.073 0.000 0.686 328 G HA3 0.281 4.285 3.960 0.073 0.000 0.686 328 G C 0.902 175.840 174.900 0.063 0.000 1.201 328 G CA 0.270 45.410 45.100 0.066 0.000 0.768 328 G HN 2.385 nan 8.290 nan 0.000 0.629 329 I N -1.284 119.314 120.570 0.047 0.000 3.176 329 I HA 0.268 4.481 4.170 0.073 0.000 0.275 329 I C 0.600 176.741 176.117 0.040 0.000 1.298 329 I CA 0.192 61.516 61.300 0.040 0.000 1.445 329 I CB -0.167 37.850 38.000 0.029 0.000 1.075 329 I HN 0.283 nan 8.210 nan 0.000 0.482 330 V N 3.857 123.798 119.914 0.045 0.000 2.432 330 V HA 0.163 4.326 4.120 0.073 0.000 0.275 330 V C 0.249 176.371 176.094 0.047 0.000 1.043 330 V CA -0.674 61.651 62.300 0.042 0.000 0.925 330 V CB 0.807 32.656 31.823 0.043 0.000 0.985 330 V HN 0.596 nan 8.190 nan 0.000 0.466 334 I N 1.241 121.826 120.570 0.025 0.000 2.406 334 I HA -0.125 4.089 4.170 0.073 0.000 0.249 334 I C 2.090 178.236 176.117 0.048 0.000 1.122 334 I CA 0.921 62.239 61.300 0.030 0.000 1.431 334 I CB -0.069 37.948 38.000 0.029 0.000 1.087 334 I HN 0.305 nan 8.210 nan 0.000 0.424 335 I N 1.184 121.790 120.570 0.059 0.000 2.226 335 I HA -0.237 3.977 4.170 0.073 0.000 0.245 335 I C 2.852 179.025 176.117 0.093 0.000 1.100 335 I CA 1.557 62.912 61.300 0.092 0.000 1.374 335 I CB -1.442 36.618 38.000 0.100 0.000 1.057 335 I HN 0.160 nan 8.210 nan 0.000 0.413 336 A N 0.721 123.575 122.820 0.058 0.000 1.972 336 A HA -0.244 4.119 4.320 0.073 0.000 0.219 336 A C 2.144 179.747 177.584 0.032 0.000 1.169 336 A CA 2.115 54.176 52.037 0.040 0.000 0.635 336 A CB -0.958 18.049 19.000 0.011 0.000 0.810 336 A HN 0.458 nan 8.150 nan 0.000 0.446 337 N N -0.387 118.332 118.700 0.032 0.000 2.080 337 N HA -0.037 4.746 4.740 0.073 0.000 0.189 337 N C 1.835 177.368 175.510 0.040 0.000 1.036 337 N CA 1.446 54.510 53.050 0.024 0.000 0.846 337 N CB -0.386 38.112 38.487 0.018 0.000 1.015 337 N HN 0.391 nan 8.380 nan 0.000 0.423 338 G N 0.488 109.332 108.800 0.073 0.000 2.450 338 G HA2 -0.188 3.816 3.960 0.073 0.000 0.220 338 G HA3 -0.188 3.816 3.960 0.073 0.000 0.220 338 G C 1.436 176.401 174.900 0.109 0.000 1.130 338 G CA 0.537 45.710 45.100 0.121 0.000 0.760 338 G HN 0.242 nan 8.290 nan 0.000 0.557 339 I N 1.278 121.898 120.570 0.083 0.000 2.133 339 I HA -0.170 4.043 4.170 0.073 0.000 0.238 339 I C 3.268 179.274 176.117 -0.186 0.000 1.074 339 I CA 1.810 63.098 61.300 -0.020 0.000 1.342 339 I CB -0.695 37.367 38.000 0.102 0.000 1.053 339 I HN 0.329 nan 8.210 nan 0.000 0.404 340 T N -1.146 113.357 114.554 -0.086 0.000 2.881 340 T HA -0.240 4.154 4.350 0.073 0.000 0.270 340 T C 1.834 176.482 174.700 -0.086 0.000 1.068 340 T CA 1.384 63.427 62.100 -0.095 0.000 1.131 340 T CB -0.266 68.572 68.868 -0.050 0.000 0.871 340 T HN 0.279 nan 8.240 nan 0.000 0.479 341 K N 1.056 121.434 120.400 -0.037 0.000 2.031 341 K HA 0.194 4.558 4.320 0.073 0.000 0.205 341 K C 2.702 179.317 176.600 0.025 0.000 1.049 341 K CA 0.894 57.196 56.287 0.025 0.000 0.939 341 K CB -0.602 31.948 32.500 0.084 0.000 0.717 341 K HN 0.378 nan 8.250 nan 0.000 0.438 342 A N 1.077 123.857 122.820 -0.068 0.000 1.883 342 A HA -0.220 4.144 4.320 0.073 0.000 0.217 342 A C 2.457 179.793 177.584 -0.413 0.000 1.186 342 A CA 1.859 53.660 52.037 -0.393 0.000 0.624 342 A CB -1.220 17.379 19.000 -0.669 0.000 0.822 342 A HN 0.570 nan 8.150 nan 0.000 0.444 343 C N -1.470 117.568 119.300 -0.437 0.000 2.393 343 C HA -0.117 4.387 4.460 0.073 0.000 0.276 343 C C 2.902 177.793 174.990 -0.164 0.000 1.215 343 C CA 1.463 60.292 59.018 -0.315 0.000 1.743 343 C CB -1.347 26.233 27.740 -0.267 0.000 2.044 343 C HN 0.656 nan 8.230 nan 0.000 0.464 344 R N 0.759 121.192 120.500 -0.113 0.000 2.070 344 R HA -0.109 4.275 4.340 0.073 0.000 0.233 344 R C 2.082 178.359 176.300 -0.038 0.000 1.137 344 R CA 1.635 57.701 56.100 -0.058 0.000 0.945 344 R CB -0.368 29.911 30.300 -0.034 0.000 0.845 344 R HN 0.640 nan 8.270 nan 0.000 0.430 345 E N -0.200 119.989 120.200 -0.019 0.000 2.208 345 E HA -0.094 4.300 4.350 0.073 0.000 0.193 345 E C 1.381 177.977 176.600 -0.006 0.000 0.988 345 E CA 0.776 57.190 56.400 0.023 0.000 0.828 345 E CB 0.127 29.904 29.700 0.128 0.000 0.763 345 E HN 0.302 nan 8.360 nan 0.000 0.478 346 L N 0.251 121.425 121.223 -0.081 0.000 2.607 346 L HA 0.119 4.502 4.340 0.073 0.000 0.228 346 L C 0.171 177.009 176.870 -0.054 0.000 1.123 346 L CA -0.047 54.741 54.840 -0.087 0.000 0.890 346 L CB 0.091 42.044 42.059 -0.178 0.000 1.103 346 L HN 0.034 nan 8.230 nan 0.000 0.468 347 E N 1.587 121.755 120.200 -0.054 0.000 2.228 347 E HA -0.206 4.188 4.350 0.073 0.000 0.213 347 E C -0.385 176.197 176.600 -0.029 0.000 1.282 347 E CA -0.015 56.363 56.400 -0.036 0.000 0.707 347 E CB -0.879 28.811 29.700 -0.017 0.000 1.150 347 E HN 0.404 nan 8.360 nan 0.000 0.362 348 L N 0.543 121.740 121.223 -0.043 0.000 2.397 348 L HA 0.145 4.529 4.340 0.073 0.000 0.271 348 L C 1.444 178.309 176.870 -0.009 0.000 1.148 348 L CA 0.361 55.195 54.840 -0.010 0.000 0.825 348 L CB 0.714 42.775 42.059 0.004 0.000 1.117 348 L HN 0.153 nan 8.230 nan 0.000 0.456 349 K N 1.433 121.839 120.400 0.009 0.000 2.402 349 K HA 0.150 4.514 4.320 0.073 0.000 0.204 349 K C -0.035 176.575 176.600 0.016 0.000 1.056 349 K CA -0.151 56.140 56.287 0.007 0.000 1.069 349 K CB 0.884 33.388 32.500 0.007 0.000 0.888 349 K HN 0.532 nan 8.250 nan 0.000 0.546 350 V N 0.814 120.747 119.914 0.031 0.000 2.881 350 V HA 0.308 4.472 4.120 0.073 0.000 0.303 350 V C -2.346 173.768 176.094 0.034 0.000 1.070 350 V CA -2.140 60.181 62.300 0.036 0.000 1.074 350 V CB 0.329 32.184 31.823 0.052 0.000 1.012 350 V HN -0.023 nan 8.190 nan 0.000 0.482 351 P HA 0.312 nan 4.420 nan 0.000 0.271 351 P C -0.924 176.392 177.300 0.027 0.000 1.216 351 P CA -0.130 62.981 63.100 0.019 0.000 0.776 351 P CB 0.895 32.602 31.700 0.011 0.000 0.881 352 L N 2.525 123.762 121.223 0.023 0.000 2.329 352 L HA 0.449 4.833 4.340 0.073 0.000 0.279 352 L C -0.097 176.770 176.870 -0.004 0.000 1.014 352 L CA -1.174 53.681 54.840 0.024 0.000 0.814 352 L CB 2.219 44.306 42.059 0.048 0.000 1.257 352 L HN 0.096 nan 8.230 nan 0.000 0.424 353 V N 4.236 124.134 119.914 -0.026 0.000 2.384 353 V HA 0.439 4.603 4.120 0.073 0.000 0.287 353 V C -0.183 175.877 176.094 -0.056 0.000 1.020 353 V CA -0.523 61.757 62.300 -0.033 0.000 0.850 353 V CB 2.101 33.904 31.823 -0.033 0.000 0.987 353 V HN 0.418 nan 8.190 nan 0.000 0.436 354 V N 5.664 125.551 119.914 -0.044 0.000 2.604 354 V HA 0.675 4.838 4.120 0.073 0.000 0.305 354 V C -0.148 175.918 176.094 -0.046 0.000 1.043 354 V CA -0.836 61.432 62.300 -0.054 0.000 0.888 354 V CB 2.139 33.944 31.823 -0.030 0.000 0.995 354 V HN 0.724 nan 8.190 nan 0.000 0.429 355 R N 4.722 125.190 120.500 -0.053 0.000 2.435 355 R HA 0.627 5.011 4.340 0.073 0.000 0.308 355 R C -1.929 174.341 176.300 -0.050 0.000 0.975 355 R CA -0.459 55.613 56.100 -0.047 0.000 0.867 355 R CB 1.203 31.483 30.300 -0.033 0.000 1.171 355 R HN 0.761 nan 8.270 nan 0.000 0.470 356 L N 2.618 123.802 121.223 -0.065 0.000 2.365 356 L HA 0.548 4.932 4.340 0.073 0.000 0.273 356 L C -0.445 176.333 176.870 -0.154 0.000 1.000 356 L CA -0.929 53.870 54.840 -0.069 0.000 0.819 356 L CB 2.339 44.377 42.059 -0.034 0.000 1.284 356 L HN 0.472 nan 8.230 nan 0.000 0.418 357 E N 1.209 121.257 120.200 -0.253 0.000 2.308 357 E HA 0.798 5.191 4.350 0.073 0.000 0.275 357 E C -0.425 175.929 176.600 -0.411 0.000 0.890 357 E CA 0.080 56.176 56.400 -0.507 0.000 0.754 357 E CB 2.261 31.287 29.700 -1.123 0.000 1.207 357 E HN 0.730 nan 8.360 nan 0.000 0.426 358 G N 1.396 110.034 108.800 -0.269 0.000 2.347 358 G HA2 0.023 4.027 3.960 0.073 0.000 0.224 358 G HA3 0.023 4.027 3.960 0.073 0.000 0.224 358 G C -0.859 174.028 174.900 -0.022 0.000 1.318 358 G CA -0.296 44.763 45.100 -0.068 0.000 1.016 358 G HN 0.533 nan 8.290 nan 0.000 0.469 359 T N 1.892 116.457 114.554 0.018 0.000 2.907 359 T HA 0.431 4.824 4.350 0.073 0.000 0.298 359 T C 0.876 175.586 174.700 0.016 0.000 1.017 359 T CA 0.887 63.000 62.100 0.022 0.000 1.118 359 T CB 0.488 69.375 68.868 0.032 0.000 0.948 359 T HN 0.822 nan 8.240 nan 0.000 0.531 360 N N 1.034 119.748 118.700 0.022 0.000 2.741 360 N HA -0.170 4.613 4.740 0.073 0.000 0.250 360 N C 1.146 176.672 175.510 0.028 0.000 1.115 360 N CA 0.348 53.416 53.050 0.031 0.000 0.724 360 N CB -1.081 37.420 38.487 0.023 0.000 1.090 360 N HN 0.403 nan 8.380 nan 0.000 0.558 361 V N -0.319 119.607 119.914 0.020 0.000 2.392 361 V HA -0.274 3.890 4.120 0.073 0.000 0.249 361 V C 2.285 178.407 176.094 0.047 0.000 1.059 361 V CA 2.484 64.790 62.300 0.009 0.000 1.051 361 V CB -0.506 31.303 31.823 -0.023 0.000 0.658 361 V HN 0.514 nan 8.190 nan 0.000 0.455 362 H N 0.756 119.810 119.070 -0.026 0.000 2.290 362 H HA -0.208 4.391 4.556 0.073 0.000 0.298 362 H C 2.246 177.565 175.328 -0.015 0.000 1.087 362 H CA 2.386 58.422 56.048 -0.020 0.000 1.291 362 H CB -0.109 29.644 29.762 -0.016 0.000 1.369 362 H HN 0.405 nan 8.280 nan 0.000 0.492 363 E N 0.290 120.433 120.200 -0.094 0.000 2.106 363 E HA -0.059 4.335 4.350 0.073 0.000 0.192 363 E C 2.288 178.825 176.600 -0.105 0.000 0.984 363 E CA 1.213 57.524 56.400 -0.148 0.000 0.806 363 E CB -0.652 29.017 29.700 -0.051 0.000 0.750 363 E HN 0.535 nan 8.360 nan 0.000 0.458 364 A N 0.816 123.604 122.820 -0.054 0.000 1.865 364 A HA -0.249 4.114 4.320 0.073 0.000 0.217 364 A C 2.099 179.652 177.584 -0.052 0.000 1.191 364 A CA 1.876 53.891 52.037 -0.036 0.000 0.623 364 A CB -0.693 18.297 19.000 -0.017 0.000 0.826 364 A HN 0.294 nan 8.150 nan 0.000 0.444 365 Q N -0.043 119.721 119.800 -0.061 0.000 2.181 365 Q HA -0.165 4.219 4.340 0.073 0.000 0.205 365 Q C 1.670 177.618 176.000 -0.087 0.000 0.980 365 Q CA 1.370 57.138 55.803 -0.058 0.000 0.862 365 Q CB -0.510 28.208 28.738 -0.033 0.000 0.905 365 Q HN 0.679 nan 8.270 nan 0.000 0.429 366 N N 0.764 119.376 118.700 -0.147 0.000 2.109 366 N HA -0.037 4.747 4.740 0.073 0.000 0.188 366 N C 2.078 177.536 175.510 -0.086 0.000 1.034 366 N CA 0.765 53.728 53.050 -0.145 0.000 0.846 366 N CB -0.260 38.096 38.487 -0.218 0.000 1.010 366 N HN 0.237 nan 8.380 nan 0.000 0.425 367 I N 1.520 122.046 120.570 -0.073 0.000 2.151 367 I HA -0.275 3.939 4.170 0.073 0.000 0.243 367 I C 2.138 178.232 176.117 -0.038 0.000 1.080 367 I CA 1.022 62.294 61.300 -0.047 0.000 1.339 367 I CB -0.310 37.670 38.000 -0.034 0.000 1.039 367 I HN 0.067 nan 8.210 nan 0.000 0.409 368 L N -0.233 120.969 121.223 -0.036 0.000 2.046 368 L HA -0.195 4.189 4.340 0.073 0.000 0.208 368 L C 2.625 179.477 176.870 -0.030 0.000 1.077 368 L CA 1.565 56.388 54.840 -0.028 0.000 0.747 368 L CB -1.048 40.997 42.059 -0.023 0.000 0.896 368 L HN 0.259 nan 8.230 nan 0.000 0.432 369 T N -0.390 114.143 114.554 -0.035 0.000 2.746 369 T HA -0.098 4.295 4.350 0.073 0.000 0.267 369 T C 1.456 176.139 174.700 -0.029 0.000 1.039 369 T CA 1.241 63.322 62.100 -0.031 0.000 1.142 369 T CB -0.211 68.636 68.868 -0.034 0.000 0.866 369 T HN 0.287 nan 8.240 nan 0.000 0.444 370 N N 1.391 120.071 118.700 -0.034 0.000 2.449 370 N HA 0.042 4.826 4.740 0.073 0.000 0.191 370 N C 1.774 177.268 175.510 -0.026 0.000 1.161 370 N CA 0.331 53.363 53.050 -0.029 0.000 0.863 370 N CB -0.108 38.360 38.487 -0.032 0.000 0.980 370 N HN 0.513 nan 8.380 nan 0.000 0.458 371 S N -0.617 115.066 115.700 -0.028 0.000 2.489 371 S HA 0.072 4.585 4.470 0.073 0.000 0.228 371 S C 1.694 176.279 174.600 -0.026 0.000 0.995 371 S CA 0.796 58.978 58.200 -0.028 0.000 0.934 371 S CB -0.212 62.968 63.200 -0.033 0.000 0.771 371 S HN 0.361 nan 8.310 nan 0.000 0.522 372 G N 0.709 109.495 108.800 -0.023 0.000 2.184 372 G HA2 -0.255 3.749 3.960 0.073 0.000 0.264 372 G HA3 -0.255 3.749 3.960 0.073 0.000 0.264 372 G C -0.004 174.884 174.900 -0.021 0.000 0.975 372 G CA 0.513 45.601 45.100 -0.020 0.000 0.642 372 G HN 0.561 nan 8.290 nan 0.000 0.536 373 L N 1.832 123.039 121.223 -0.026 0.000 2.418 373 L HA 0.414 4.798 4.340 0.073 0.000 0.265 373 L C -1.129 175.729 176.870 -0.020 0.000 1.143 373 L CA -1.825 52.998 54.840 -0.028 0.000 0.809 373 L CB 0.604 42.639 42.059 -0.040 0.000 1.124 373 L HN -0.039 nan 8.230 nan 0.000 0.456 374 P HA 0.153 nan 4.420 nan 0.000 0.249 374 P C -0.740 176.556 177.300 -0.008 0.000 1.737 374 P CA 0.420 63.515 63.100 -0.009 0.000 1.128 374 P CB -0.323 31.374 31.700 -0.005 0.000 1.942 375 I N 1.527 122.090 120.570 -0.011 0.000 2.389 375 I HA 0.239 4.453 4.170 0.073 0.000 0.288 375 I C 0.329 176.439 176.117 -0.012 0.000 0.999 375 I CA -0.408 60.886 61.300 -0.010 0.000 1.129 375 I CB 2.063 40.054 38.000 -0.014 0.000 1.288 375 I HN -0.035 nan 8.210 nan 0.000 0.444 376 T N 3.989 118.536 114.554 -0.011 0.000 2.767 376 T HA 0.206 4.599 4.350 0.073 0.000 0.284 376 T C -0.079 174.611 174.700 -0.017 0.000 0.973 376 T CA -0.379 61.714 62.100 -0.013 0.000 0.996 376 T CB 1.357 70.218 68.868 -0.012 0.000 0.927 376 T HN 0.510 nan 8.240 nan 0.000 0.456 377 S N 2.417 118.107 115.700 -0.017 0.000 2.422 377 S HA 0.634 5.147 4.470 0.073 0.000 0.298 377 S C 0.158 174.746 174.600 -0.019 0.000 1.118 377 S CA -0.811 57.377 58.200 -0.020 0.000 1.083 377 S CB -0.002 63.187 63.200 -0.019 0.000 0.971 377 S HN 0.866 nan 8.310 nan 0.000 0.478 378 A N 4.369 127.175 122.820 -0.023 0.000 2.316 378 A HA 0.528 4.892 4.320 0.073 0.000 0.284 378 A C 1.222 178.793 177.584 -0.021 0.000 1.115 378 A CA -0.647 51.377 52.037 -0.020 0.000 0.812 378 A CB 0.542 19.530 19.000 -0.020 0.000 1.064 378 A HN 0.773 nan 8.150 nan 0.000 0.489 379 V N 1.141 121.046 119.914 -0.015 0.000 2.307 379 V HA -0.020 4.143 4.120 0.073 0.000 0.245 379 V C 0.823 176.907 176.094 -0.016 0.000 1.045 379 V CA 2.445 64.736 62.300 -0.015 0.000 1.024 379 V CB -1.108 30.710 31.823 -0.008 0.000 0.651 379 V HN 1.090 nan 8.190 nan 0.000 0.449 380 D N -3.447 116.950 120.400 -0.005 0.000 2.825 380 D HA 0.190 4.874 4.640 0.073 0.000 0.327 380 D C 0.469 176.778 176.300 0.015 0.000 1.277 380 D CA -0.761 53.245 54.000 0.009 0.000 0.950 380 D CB 0.537 41.351 40.800 0.023 0.000 1.438 380 D HN -0.179 nan 8.370 nan 0.000 0.526 381 L N 0.110 121.354 121.223 0.035 0.000 2.042 381 L HA -0.014 4.370 4.340 0.073 0.000 0.210 381 L C 2.090 178.973 176.870 0.022 0.000 1.076 381 L CA 2.192 57.052 54.840 0.033 0.000 0.749 381 L CB -1.233 40.857 42.059 0.052 0.000 0.893 381 L HN 0.733 nan 8.230 nan 0.000 0.432 382 E N -0.697 119.516 120.200 0.022 0.000 2.077 382 E HA -0.262 4.132 4.350 0.073 0.000 0.193 382 E C 1.919 178.523 176.600 0.007 0.000 0.989 382 E CA 1.509 57.918 56.400 0.015 0.000 0.800 382 E CB -0.170 29.539 29.700 0.015 0.000 0.746 382 E HN 0.564 nan 8.360 nan 0.000 0.452 383 D N -0.561 119.842 120.400 0.005 0.000 2.117 383 D HA -0.117 4.567 4.640 0.073 0.000 0.197 383 D C 1.807 178.104 176.300 -0.005 0.000 0.987 383 D CA 1.641 55.640 54.000 -0.001 0.000 0.829 383 D CB -0.283 40.516 40.800 -0.002 0.000 0.961 383 D HN 0.263 nan 8.370 nan 0.000 0.460 384 A N 0.509 123.326 122.820 -0.005 0.000 1.883 384 A HA -0.006 4.357 4.320 0.073 0.000 0.217 384 A C 2.385 179.964 177.584 -0.009 0.000 1.186 384 A CA 2.382 54.412 52.037 -0.012 0.000 0.624 384 A CB -1.143 17.848 19.000 -0.015 0.000 0.822 384 A HN 0.329 nan 8.150 nan 0.000 0.444 385 A N -0.337 122.482 122.820 -0.002 0.000 1.877 385 A HA -0.160 4.204 4.320 0.073 0.000 0.216 385 A C 2.127 179.709 177.584 -0.004 0.000 1.186 385 A CA 1.859 53.897 52.037 0.001 0.000 0.620 385 A CB -0.460 18.547 19.000 0.011 0.000 0.822 385 A HN 0.534 nan 8.150 nan 0.000 0.443 386 K N -0.257 120.139 120.400 -0.006 0.000 2.057 386 K HA -0.142 4.221 4.320 0.073 0.000 0.207 386 K C 2.109 178.703 176.600 -0.010 0.000 1.049 386 K CA 1.757 58.038 56.287 -0.010 0.000 0.931 386 K CB -0.160 32.335 32.500 -0.009 0.000 0.714 386 K HN 0.416 nan 8.250 nan 0.000 0.440 387 K N 0.230 120.625 120.400 -0.009 0.000 2.097 387 K HA -0.071 4.293 4.320 0.073 0.000 0.205 387 K C 2.147 178.742 176.600 -0.009 0.000 1.050 387 K CA 1.107 57.388 56.287 -0.009 0.000 0.938 387 K CB -0.064 32.430 32.500 -0.010 0.000 0.718 387 K HN 0.120 nan 8.250 nan 0.000 0.442 388 A N 0.879 123.693 122.820 -0.010 0.000 1.902 388 A HA -0.116 4.248 4.320 0.073 0.000 0.217 388 A C 2.317 179.899 177.584 -0.003 0.000 1.181 388 A CA 1.331 53.364 52.037 -0.008 0.000 0.623 388 A CB -0.601 18.393 19.000 -0.011 0.000 0.818 388 A HN 0.069 nan 8.150 nan 0.000 0.443 389 V N -0.200 119.711 119.914 -0.004 0.000 2.427 389 V HA -0.209 3.954 4.120 0.073 0.000 0.248 389 V C 2.939 179.029 176.094 -0.006 0.000 1.051 389 V CA 1.764 64.061 62.300 -0.005 0.000 1.048 389 V CB -1.016 30.798 31.823 -0.014 0.000 0.666 389 V HN 0.599 nan 8.190 nan 0.000 0.456 390 A N -0.610 122.206 122.820 -0.007 0.000 2.121 390 A HA -0.105 4.259 4.320 0.073 0.000 0.218 390 A C 2.247 179.829 177.584 -0.003 0.000 1.154 390 A CA 1.631 53.664 52.037 -0.007 0.000 0.679 390 A CB -0.337 18.659 19.000 -0.007 0.000 0.795 390 A HN 0.519 nan 8.150 nan 0.000 0.458 391 S N -0.935 114.764 115.700 -0.001 0.000 2.593 391 S HA 0.280 4.793 4.470 0.073 0.000 0.217 391 S C 0.540 175.143 174.600 0.006 0.000 0.966 391 S CA 0.428 58.629 58.200 0.002 0.000 0.914 391 S CB -0.431 62.771 63.200 0.003 0.000 0.776 391 S HN 0.668 nan 8.310 nan 0.000 0.523 392 V N -0.992 118.925 119.914 0.006 0.000 3.126 392 V HA 0.744 4.908 4.120 0.073 0.000 0.314 392 V C 0.354 176.452 176.094 0.008 0.000 1.138 392 V CA -1.069 61.237 62.300 0.010 0.000 1.034 392 V CB 0.928 32.760 31.823 0.015 0.000 1.075 392 V HN 0.221 nan 8.190 nan 0.000 0.442 393 T N 0.000 114.560 114.554 0.011 0.000 3.816 393 T HA 0.000 4.394 4.350 0.073 0.000 0.228 393 T CA 0.000 62.105 62.100 0.009 0.000 1.349 393 T CB 0.000 68.875 68.868 0.011 0.000 0.612 393 T HN 0.000 nan 8.240 nan 0.000 0.658