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 1dxl_1_A DATA FIRST_RESID 4 DATA SEQUENCE SDENDVVIIG GGPGGYVAAI KAAQLGFKTT CIEKRGALGG TcLNVGcIPS DATA SEQUENCE KALLHSSHMY HEAKHSFANH GVKVSNVEID LAAMMGQKDK AVSNLTRGIE DATA SEQUENCE GLFKKNKVTY VKGYGKFVSP SEISVDTIEG ENTVVKGKHI IIATGSDVKS DATA SEQUENCE LPGVTIDEKK IVSSTGALAL SEIPKKLVVI GAGYIGLEMG SVWGRIGSEV DATA SEQUENCE TVVEFASEIV PTMDAEIRKQ FQRSLEKQGM KFKLKTKVVG VDTSGDGVKL DATA SEQUENCE TVEPSAGGEQ TIIEADVVLV SAGRTPFTSG LNLDKIGVET DKLGRILVNE DATA SEQUENCE RFSTNVSGVY AIGDVIPGPM LAHKAEEDGV ACVEYLAGKV GHVDYDKVPG DATA SEQUENCE VVYTNPEVAS VGKTEEQVKE TGVEYRVGKF PFMANSRAKA IDNAEGLVKI DATA SEQUENCE IAEKETDKIL GVHIMAPNAG ELIHEAAIAL QYDASSEDIA RVCHAHPTMS DATA SEQUENCE EAIKEAAMAT YDKPIHI 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 4 S HA 0.000 nan 4.470 nan 0.000 0.327 4 S C 0.000 174.602 174.600 0.004 0.000 1.055 4 S CA 0.000 58.202 58.200 0.003 0.000 1.107 4 S CB 0.000 63.203 63.200 0.004 0.000 0.593 5 D N 2.821 123.224 120.400 0.006 0.000 2.713 5 D HA 0.045 4.685 4.640 -0.000 0.000 0.229 5 D C 0.370 176.678 176.300 0.013 0.000 1.136 5 D CA 0.082 54.087 54.000 0.008 0.000 1.010 5 D CB 0.348 41.153 40.800 0.008 0.000 1.084 5 D HN 0.613 nan 8.370 nan 0.000 0.495 6 E N 1.708 121.917 120.200 0.015 0.000 2.265 6 E HA -0.054 4.296 4.350 -0.000 0.000 0.272 6 E C 0.261 176.883 176.600 0.036 0.000 1.067 6 E CA -0.670 55.743 56.400 0.022 0.000 0.900 6 E CB 0.509 30.221 29.700 0.020 0.000 1.017 6 E HN 0.076 nan 8.360 nan 0.000 0.431 7 N N 4.588 123.311 118.700 0.038 0.000 2.414 7 N HA -0.094 4.646 4.740 -0.000 0.000 0.268 7 N C -0.370 175.191 175.510 0.086 0.000 1.286 7 N CA 0.236 53.318 53.050 0.054 0.000 0.896 7 N CB 0.817 39.327 38.487 0.038 0.000 1.093 7 N HN 0.596 nan 8.380 nan 0.000 0.480 8 D N 2.418 122.902 120.400 0.139 0.000 2.305 8 D HA 0.075 4.715 4.640 -0.000 0.000 0.206 8 D C -0.134 176.327 176.300 0.268 0.000 0.974 8 D CA 0.730 54.879 54.000 0.248 0.000 0.871 8 D CB 0.791 41.828 40.800 0.395 0.000 0.947 8 D HN 0.234 nan 8.370 nan 0.000 0.516 9 V N 0.745 120.751 119.914 0.154 0.000 2.924 9 V HA 0.264 4.384 4.120 -0.000 0.000 0.300 9 V C -0.727 175.384 176.094 0.028 0.000 1.227 9 V CA -0.804 61.546 62.300 0.084 0.000 0.954 9 V CB 2.975 34.760 31.823 -0.063 0.000 1.055 9 V HN -0.299 nan 8.190 nan 0.000 0.429 10 V N 5.449 125.382 119.914 0.031 0.000 2.656 10 V HA 0.615 4.735 4.120 -0.000 0.000 0.307 10 V C -0.686 175.409 176.094 0.001 0.000 1.051 10 V CA -0.526 61.774 62.300 0.000 0.000 0.893 10 V CB 2.164 33.979 31.823 -0.013 0.000 0.999 10 V HN 0.721 nan 8.190 nan 0.000 0.426 11 I N 4.975 125.536 120.570 -0.016 0.000 2.411 11 I HA 0.454 4.624 4.170 -0.000 0.000 0.284 11 I C -0.599 175.521 176.117 0.005 0.000 1.012 11 I CA -0.234 61.064 61.300 -0.004 0.000 1.119 11 I CB 1.713 39.699 38.000 -0.025 0.000 1.261 11 I HN 0.479 nan 8.210 nan 0.000 0.448 12 I N 6.553 127.129 120.570 0.010 0.000 2.281 12 I HA 0.589 4.759 4.170 -0.000 0.000 0.293 12 I C 0.564 176.704 176.117 0.037 0.000 1.085 12 I CA 0.035 61.342 61.300 0.011 0.000 1.257 12 I CB 0.530 38.523 38.000 -0.011 0.000 1.430 12 I HN 0.747 nan 8.210 nan 0.000 0.489 13 G N 3.329 112.152 108.800 0.038 0.000 2.196 13 G HA2 0.250 4.210 3.960 -0.000 0.000 0.215 13 G HA3 0.250 4.210 3.960 -0.000 0.000 0.215 13 G C -0.130 174.804 174.900 0.057 0.000 1.640 13 G CA -0.531 44.593 45.100 0.040 0.000 0.946 13 G HN 0.712 nan 8.290 nan 0.000 0.710 14 G N 0.132 108.959 108.800 0.044 0.000 3.707 14 G HA2 0.618 4.578 3.960 -0.000 0.000 0.286 14 G HA3 0.618 4.578 3.960 -0.000 0.000 0.286 14 G C 0.760 175.708 174.900 0.081 0.000 1.112 14 G CA 0.872 46.004 45.100 0.054 0.000 0.861 14 G HN 1.118 nan 8.290 nan 0.000 0.534 15 G N 0.214 109.073 108.800 0.097 0.000 2.857 15 G HA2 0.523 4.483 3.960 -0.000 0.000 0.217 15 G HA3 0.523 4.483 3.960 -0.000 0.000 0.217 15 G C -1.335 173.628 174.900 0.105 0.000 1.357 15 G CA -0.967 44.209 45.100 0.127 0.000 1.033 15 G HN -0.069 nan 8.290 nan 0.000 0.571 16 P HA -0.123 nan 4.420 nan 0.000 0.215 16 P C 2.041 179.181 177.300 -0.266 0.000 1.163 16 P CA 2.201 65.144 63.100 -0.262 0.000 0.894 16 P CB -0.055 31.559 31.700 -0.142 0.000 0.791 17 G N -0.969 107.744 108.800 -0.145 0.000 2.418 17 G HA2 -0.193 3.767 3.960 -0.000 0.000 0.217 17 G HA3 -0.193 3.767 3.960 -0.000 0.000 0.217 17 G C 1.718 176.547 174.900 -0.119 0.000 1.158 17 G CA 1.026 46.041 45.100 -0.140 0.000 0.771 17 G HN 0.385 nan 8.290 nan 0.000 0.545 18 G N 0.462 109.234 108.800 -0.047 0.000 2.454 18 G HA2 -0.133 3.827 3.960 -0.000 0.000 0.214 18 G HA3 -0.133 3.827 3.960 -0.000 0.000 0.214 18 G C 1.692 176.662 174.900 0.116 0.000 1.217 18 G CA 1.077 46.193 45.100 0.027 0.000 0.799 18 G HN 0.605 nan 8.290 nan 0.000 0.538 19 Y N 0.895 121.254 120.300 0.098 0.000 2.574 19 Y HA 0.168 4.719 4.550 0.000 0.000 0.294 19 Y C 2.006 178.016 175.900 0.184 0.000 1.142 19 Y CA 0.704 58.958 58.100 0.257 0.000 1.314 19 Y CB -0.420 38.054 38.460 0.022 0.000 0.991 19 Y HN 0.035 nan 8.280 nan 0.000 0.555 20 V N 0.677 120.487 119.914 -0.173 0.000 2.436 20 V HA -0.008 4.112 4.120 -0.000 0.000 0.240 20 V C 2.787 178.830 176.094 -0.086 0.000 1.040 20 V CA 1.232 63.419 62.300 -0.189 0.000 1.052 20 V CB -1.193 30.423 31.823 -0.344 0.000 0.707 20 V HN 0.487 nan 8.190 nan 0.000 0.469 21 A N 0.625 123.373 122.820 -0.120 0.000 1.903 21 A HA -0.252 4.068 4.320 -0.000 0.000 0.219 21 A C 2.419 179.936 177.584 -0.112 0.000 1.191 21 A CA 2.735 54.690 52.037 -0.136 0.000 0.638 21 A CB -1.045 17.863 19.000 -0.153 0.000 0.823 21 A HN 0.605 nan 8.150 nan 0.000 0.451 22 A N 0.007 122.789 122.820 -0.064 0.000 1.849 22 A HA -0.194 4.126 4.320 -0.000 0.000 0.217 22 A C 2.173 179.696 177.584 -0.101 0.000 1.202 22 A CA 1.839 53.803 52.037 -0.122 0.000 0.629 22 A CB -0.838 18.056 19.000 -0.176 0.000 0.834 22 A HN 0.533 nan 8.150 nan 0.000 0.447 23 I N -0.781 119.803 120.570 0.024 0.000 2.127 23 I HA -0.288 3.882 4.170 -0.000 0.000 0.241 23 I C 2.584 178.710 176.117 0.016 0.000 1.075 23 I CA 2.083 63.418 61.300 0.058 0.000 1.334 23 I CB -0.371 37.732 38.000 0.172 0.000 1.040 23 I HN 0.331 nan 8.210 nan 0.000 0.405 24 K N 1.561 121.956 120.400 -0.009 0.000 2.160 24 K HA -0.176 4.144 4.320 -0.000 0.000 0.206 24 K C 1.963 178.550 176.600 -0.022 0.000 1.047 24 K CA 1.730 58.004 56.287 -0.023 0.000 0.930 24 K CB -0.354 32.109 32.500 -0.061 0.000 0.720 24 K HN 0.341 nan 8.250 nan 0.000 0.450 25 A N 0.418 123.195 122.820 -0.072 0.000 1.873 25 A HA -0.011 4.309 4.320 -0.000 0.000 0.215 25 A C 2.405 180.045 177.584 0.095 0.000 1.186 25 A CA 1.947 53.926 52.037 -0.097 0.000 0.616 25 A CB -1.179 17.689 19.000 -0.221 0.000 0.823 25 A HN 0.415 nan 8.150 nan 0.000 0.442 26 A N -0.600 122.243 122.820 0.039 0.000 1.908 26 A HA -0.244 4.076 4.320 -0.000 0.000 0.218 26 A C 2.088 179.725 177.584 0.088 0.000 1.181 26 A CA 1.712 53.789 52.037 0.067 0.000 0.627 26 A CB -0.665 18.338 19.000 0.005 0.000 0.818 26 A HN 0.661 nan 8.150 nan 0.000 0.445 27 Q N -0.751 119.090 119.800 0.069 0.000 2.291 27 Q HA -0.005 4.335 4.340 -0.000 0.000 0.206 27 Q C 1.668 177.719 176.000 0.084 0.000 0.976 27 Q CA 0.874 56.714 55.803 0.062 0.000 0.875 27 Q CB -0.228 28.537 28.738 0.045 0.000 0.927 27 Q HN 0.667 nan 8.270 nan 0.000 0.450 28 L N -1.060 120.256 121.223 0.155 0.000 2.558 28 L HA 0.092 4.432 4.340 -0.000 0.000 0.225 28 L C 0.944 177.881 176.870 0.111 0.000 1.128 28 L CA 0.480 55.438 54.840 0.196 0.000 0.868 28 L CB 0.235 42.518 42.059 0.373 0.000 1.006 28 L HN 0.397 nan 8.230 nan 0.000 0.454 29 G N -0.465 108.397 108.800 0.103 0.000 2.145 29 G HA2 -0.232 3.728 3.960 -0.000 0.000 0.176 29 G HA3 -0.232 3.728 3.960 -0.000 0.000 0.176 29 G C -0.233 174.581 174.900 -0.144 0.000 1.013 29 G CA -0.708 44.360 45.100 -0.054 0.000 0.689 29 G HN 0.093 nan 8.290 nan 0.000 0.506 30 F N 1.085 121.028 119.950 -0.012 0.000 2.436 30 F HA 0.534 5.061 4.527 -0.000 0.000 0.340 30 F C 0.960 176.753 175.800 -0.012 0.000 1.113 30 F CA -0.899 57.098 58.000 -0.005 0.000 1.022 30 F CB 1.403 40.397 39.000 -0.009 0.000 1.128 30 F HN -0.137 nan 8.300 nan 0.000 0.466 31 K N 2.553 123.054 120.400 0.168 0.000 2.412 31 K HA 0.293 4.613 4.320 -0.000 0.000 0.284 31 K C -0.429 176.228 176.600 0.095 0.000 1.046 31 K CA 0.133 56.476 56.287 0.093 0.000 0.999 31 K CB 0.354 32.892 32.500 0.064 0.000 0.941 31 K HN 0.599 nan 8.250 nan 0.000 0.474 32 T N 1.541 116.113 114.554 0.030 0.000 2.887 32 T HA 0.366 4.716 4.350 -0.000 0.000 0.288 32 T C -0.510 174.145 174.700 -0.075 0.000 1.021 32 T CA -0.755 61.330 62.100 -0.025 0.000 1.000 32 T CB 1.833 70.656 68.868 -0.076 0.000 1.034 32 T HN 0.368 nan 8.240 nan 0.000 0.467 33 T N 1.372 115.883 114.554 -0.071 0.000 2.949 33 T HA 0.404 4.754 4.350 -0.000 0.000 0.300 33 T C -0.425 174.235 174.700 -0.067 0.000 0.988 33 T CA -0.542 61.519 62.100 -0.064 0.000 0.993 33 T CB 0.698 69.558 68.868 -0.013 0.000 0.984 33 T HN 0.848 nan 8.240 nan 0.000 0.442 34 C N 4.664 123.905 119.300 -0.099 0.000 2.398 34 C HA 0.851 5.311 4.460 -0.000 0.000 0.364 34 C C -0.475 174.565 174.990 0.083 0.000 1.219 34 C CA -0.634 58.371 59.018 -0.023 0.000 2.312 34 C CB -0.930 26.798 27.740 -0.020 0.000 2.428 34 C HN 0.880 nan 8.230 nan 0.000 0.564 35 I N 3.689 124.314 120.570 0.091 0.000 2.534 35 I HA 0.470 4.640 4.170 -0.000 0.000 0.288 35 I C -0.615 175.571 176.117 0.114 0.000 1.077 35 I CA 0.045 61.420 61.300 0.125 0.000 1.051 35 I CB 1.634 39.673 38.000 0.066 0.000 1.234 35 I HN 0.759 nan 8.210 nan 0.000 0.425 36 E N 5.704 126.008 120.200 0.174 0.000 2.275 36 E HA 0.302 4.652 4.350 -0.000 0.000 0.270 36 E C 0.064 176.722 176.600 0.096 0.000 0.882 36 E CA -0.626 55.837 56.400 0.105 0.000 0.758 36 E CB 1.590 31.338 29.700 0.079 0.000 1.195 36 E HN 0.641 nan 8.360 nan 0.000 0.419 37 K N 4.044 124.437 120.400 -0.011 0.000 2.167 37 K HA 0.059 4.379 4.320 -0.000 0.000 0.203 37 K C 1.149 177.750 176.600 0.003 0.000 1.052 37 K CA -0.070 56.206 56.287 -0.018 0.000 0.956 37 K CB 0.191 32.579 32.500 -0.187 0.000 0.735 37 K HN 0.311 nan 8.250 nan 0.000 0.451 38 R N 0.770 121.259 120.500 -0.019 0.000 2.905 38 R HA -0.029 4.311 4.340 -0.000 0.000 0.273 38 R C 1.240 177.557 176.300 0.029 0.000 1.033 38 R CA 0.772 56.866 56.100 -0.011 0.000 1.182 38 R CB 0.148 30.428 30.300 -0.033 0.000 1.097 38 R HN 0.244 nan 8.270 nan 0.000 0.504 39 G N 1.143 109.954 108.800 0.018 0.000 2.575 39 G HA2 -0.130 3.830 3.960 -0.000 0.000 0.215 39 G HA3 -0.130 3.830 3.960 -0.000 0.000 0.215 39 G C 0.171 175.106 174.900 0.059 0.000 1.262 39 G CA 0.737 45.854 45.100 0.029 0.000 0.807 39 G HN 0.802 nan 8.290 nan 0.000 0.567 40 A N -0.884 121.953 122.820 0.029 0.000 2.257 40 A HA 0.642 4.962 4.320 -0.000 0.000 0.289 40 A C 1.041 178.614 177.584 -0.018 0.000 1.095 40 A CA -0.566 51.485 52.037 0.023 0.000 0.836 40 A CB 0.738 19.721 19.000 -0.029 0.000 1.111 40 A HN 0.306 nan 8.150 nan 0.000 0.497 41 L N 0.923 122.075 121.223 -0.117 0.000 2.599 41 L HA 0.089 4.429 4.340 -0.000 0.000 0.230 41 L C 1.555 178.250 176.870 -0.293 0.000 1.141 41 L CA 0.220 54.879 54.840 -0.302 0.000 0.877 41 L CB -0.802 40.881 42.059 -0.627 0.000 1.009 41 L HN 0.925 nan 8.230 nan 0.000 0.447 42 G N -0.985 107.693 108.800 -0.204 0.000 2.684 42 G HA2 0.321 4.281 3.960 -0.000 0.000 0.255 42 G HA3 0.321 4.281 3.960 -0.000 0.000 0.255 42 G C 0.650 175.504 174.900 -0.076 0.000 1.219 42 G CA 0.132 45.132 45.100 -0.167 0.000 0.901 42 G HN 0.283 nan 8.290 nan 0.000 0.548 43 G N -1.502 107.298 108.800 -0.000 0.000 3.287 43 G HA2 0.286 4.245 3.960 -0.000 0.000 0.172 43 G HA3 0.286 4.245 3.960 -0.000 0.000 0.172 43 G C 1.115 176.001 174.900 -0.023 0.000 1.922 43 G CA 1.031 46.136 45.100 0.008 0.000 0.952 43 G HN 0.566 nan 8.290 nan 0.000 0.520 44 T N -1.211 113.329 114.554 -0.022 0.000 3.023 44 T HA -0.020 4.330 4.350 -0.000 0.000 0.249 44 T C 2.180 176.867 174.700 -0.023 0.000 1.050 44 T CA 0.718 62.798 62.100 -0.034 0.000 1.088 44 T CB -0.276 68.568 68.868 -0.039 0.000 0.946 44 T HN 0.363 nan 8.240 nan 0.000 0.480 45 c N 1.188 119.780 118.600 -0.012 0.000 2.432 45 c HA 0.039 4.609 4.570 -0.000 0.000 0.277 45 c C 2.473 176.552 174.090 -0.019 0.000 1.249 45 c CA 0.632 56.955 56.329 -0.010 0.000 1.725 45 c CB -1.157 41.357 42.510 0.006 0.000 2.028 45 c HN 0.473 nan 8.230 nan 0.000 0.477 46 L N 1.399 122.610 121.223 -0.019 0.000 2.131 46 L HA 0.088 4.428 4.340 -0.000 0.000 0.206 46 L C 2.060 178.902 176.870 -0.046 0.000 1.087 46 L CA 1.933 56.749 54.840 -0.040 0.000 0.767 46 L CB -0.895 41.128 42.059 -0.061 0.000 0.917 46 L HN 0.405 nan 8.230 nan 0.000 0.441 47 N N -1.624 117.050 118.700 -0.042 0.000 2.415 47 N HA 0.075 4.815 4.740 -0.000 0.000 0.174 47 N C 0.619 176.113 175.510 -0.026 0.000 1.048 47 N CA 0.776 53.803 53.050 -0.038 0.000 0.895 47 N CB 1.062 39.524 38.487 -0.042 0.000 1.036 47 N HN 0.202 nan 8.380 nan 0.000 0.449 48 V N 0.003 119.903 119.914 -0.023 0.000 3.070 48 V HA 0.385 4.505 4.120 -0.000 0.000 0.355 48 V C 0.580 176.672 176.094 -0.004 0.000 1.400 48 V CA 0.012 62.305 62.300 -0.012 0.000 1.170 48 V CB 0.955 32.766 31.823 -0.019 0.000 1.169 48 V HN 0.308 nan 8.190 nan 0.000 0.554 49 G N -1.288 107.507 108.800 -0.008 0.000 3.409 49 G HA2 0.102 4.061 3.960 -0.000 0.000 0.168 49 G HA3 0.102 4.061 3.960 -0.000 0.000 0.168 49 G C 1.066 175.959 174.900 -0.011 0.000 1.403 49 G CA 0.839 45.939 45.100 0.000 0.000 1.195 49 G HN 0.162 nan 8.290 nan 0.000 0.751 50 c N 1.449 120.035 118.600 -0.024 0.000 3.354 50 c HA -0.106 4.464 4.570 -0.000 0.000 0.287 50 c C 2.702 176.738 174.090 -0.090 0.000 1.170 50 c CA 1.139 57.429 56.329 -0.066 0.000 1.816 50 c CB -1.383 41.085 42.510 -0.070 0.000 1.857 50 c HN 0.470 nan 8.230 nan 0.000 0.395 51 I N 2.192 122.710 120.570 -0.086 0.000 2.151 51 I HA -0.225 3.945 4.170 -0.000 0.000 0.236 51 I C -0.137 175.936 176.117 -0.072 0.000 1.000 51 I CA 2.420 63.668 61.300 -0.087 0.000 1.285 51 I CB -3.168 34.789 38.000 -0.070 0.000 0.994 51 I HN 0.283 nan 8.210 nan 0.000 0.396 52 P HA -0.169 nan 4.420 nan 0.000 0.214 52 P C 2.219 179.497 177.300 -0.038 0.000 1.169 52 P CA 2.481 65.560 63.100 -0.035 0.000 0.908 52 P CB -0.105 31.585 31.700 -0.017 0.000 0.791 53 S N -1.407 114.276 115.700 -0.029 0.000 2.365 53 S HA -0.224 4.246 4.470 -0.000 0.000 0.225 53 S C 1.936 176.509 174.600 -0.045 0.000 1.039 53 S CA 1.793 59.980 58.200 -0.021 0.000 1.033 53 S CB -0.682 62.522 63.200 0.007 0.000 0.887 53 S HN -0.103 nan 8.310 nan 0.000 0.447 54 K N 1.485 121.833 120.400 -0.086 0.000 2.057 54 K HA 0.224 4.544 4.320 -0.000 0.000 0.206 54 K C 2.238 178.800 176.600 -0.064 0.000 1.050 54 K CA 1.294 57.512 56.287 -0.114 0.000 0.935 54 K CB -1.164 31.205 32.500 -0.219 0.000 0.715 54 K HN 0.378 nan 8.250 nan 0.000 0.439 55 A N 0.951 123.728 122.820 -0.072 0.000 1.859 55 A HA -0.210 4.110 4.320 -0.000 0.000 0.217 55 A C 2.239 179.814 177.584 -0.016 0.000 1.198 55 A CA 1.829 53.833 52.037 -0.055 0.000 0.629 55 A CB -0.944 18.020 19.000 -0.061 0.000 0.830 55 A HN 0.252 nan 8.150 nan 0.000 0.446 56 L N -0.833 120.361 121.223 -0.048 0.000 2.012 56 L HA -0.237 4.103 4.340 -0.000 0.000 0.210 56 L C 2.673 179.502 176.870 -0.068 0.000 1.073 56 L CA 1.471 56.255 54.840 -0.093 0.000 0.748 56 L CB -0.673 41.284 42.059 -0.170 0.000 0.891 56 L HN 0.418 nan 8.230 nan 0.000 0.431 57 L N -0.960 120.242 121.223 -0.036 0.000 2.043 57 L HA -0.319 4.021 4.340 -0.000 0.000 0.212 57 L C 2.752 179.665 176.870 0.071 0.000 1.075 57 L CA 1.487 56.327 54.840 0.001 0.000 0.752 57 L CB -0.766 41.309 42.059 0.026 0.000 0.891 57 L HN 0.417 nan 8.230 nan 0.000 0.432 58 H N -0.901 118.165 119.070 -0.007 0.000 2.448 58 H HA -0.015 4.540 4.556 -0.000 0.000 0.292 58 H C 2.258 177.625 175.328 0.065 0.000 1.035 58 H CA 1.374 57.450 56.048 0.047 0.000 1.349 58 H CB 0.486 30.259 29.762 0.019 0.000 1.425 58 H HN 0.240 nan 8.280 nan 0.000 0.539 59 S N 0.241 116.043 115.700 0.171 0.000 2.371 59 S HA -0.132 4.338 4.470 -0.000 0.000 0.224 59 S C 2.436 177.070 174.600 0.057 0.000 1.029 59 S CA 1.203 59.463 58.200 0.100 0.000 0.978 59 S CB -0.187 63.036 63.200 0.038 0.000 0.833 59 S HN 0.635 nan 8.310 nan 0.000 0.466 60 S N 1.399 117.112 115.700 0.022 0.000 2.382 60 S HA -0.210 4.260 4.470 -0.000 0.000 0.228 60 S C 1.747 176.418 174.600 0.119 0.000 1.027 60 S CA 1.215 59.441 58.200 0.043 0.000 0.991 60 S CB -0.907 62.258 63.200 -0.058 0.000 0.823 60 S HN 0.683 nan 8.310 nan 0.000 0.469 61 H N 1.540 120.583 119.070 -0.045 0.000 2.326 61 H HA 0.002 4.558 4.556 -0.000 0.000 0.301 61 H C 2.152 177.432 175.328 -0.082 0.000 1.081 61 H CA 1.759 57.756 56.048 -0.086 0.000 1.334 61 H CB -0.210 29.459 29.762 -0.155 0.000 1.385 61 H HN 0.395 nan 8.280 nan 0.000 0.504 62 M N -0.228 119.276 119.600 -0.161 0.000 2.082 62 M HA -0.262 4.218 4.480 -0.000 0.000 0.258 62 M C 2.413 178.599 176.300 -0.191 0.000 1.069 62 M CA 1.899 57.070 55.300 -0.214 0.000 1.102 62 M CB -0.724 31.826 32.600 -0.083 0.000 1.336 62 M HN 0.301 nan 8.290 nan 0.000 0.404 63 Y N 0.419 120.629 120.300 -0.149 0.000 2.053 63 Y HA -0.363 4.187 4.550 -0.000 0.000 0.277 63 Y C 2.461 178.279 175.900 -0.136 0.000 1.159 63 Y CA 2.434 60.459 58.100 -0.126 0.000 1.125 63 Y CB -1.162 37.262 38.460 -0.060 0.000 0.969 63 Y HN 0.319 nan 8.280 nan 0.000 0.492 64 H N -0.149 118.663 119.070 -0.430 0.000 2.319 64 H HA -0.148 4.408 4.556 -0.000 0.000 0.297 64 H C 2.084 177.148 175.328 -0.440 0.000 1.097 64 H CA 2.292 58.059 56.048 -0.468 0.000 1.285 64 H CB -0.047 29.556 29.762 -0.266 0.000 1.368 64 H HN 0.353 nan 8.280 nan 0.000 0.495 65 E N 0.068 120.055 120.200 -0.354 0.000 2.153 65 E HA -0.124 4.226 4.350 -0.000 0.000 0.194 65 E C 2.327 178.558 176.600 -0.614 0.000 0.988 65 E CA 0.871 57.037 56.400 -0.389 0.000 0.811 65 E CB -0.376 29.065 29.700 -0.431 0.000 0.746 65 E HN 0.651 nan 8.360 nan 0.000 0.466 66 A N 1.183 123.504 122.820 -0.832 0.000 2.014 66 A HA -0.131 4.189 4.320 -0.000 0.000 0.218 66 A C 2.100 179.302 177.584 -0.637 0.000 1.163 66 A CA 1.257 52.589 52.037 -1.175 0.000 0.652 66 A CB -0.226 18.224 19.000 -0.917 0.000 0.808 66 A HN 0.067 nan 8.150 nan 0.000 0.449 67 K N -1.905 118.177 120.400 -0.530 0.000 2.305 67 K HA -0.072 4.248 4.320 -0.000 0.000 0.199 67 K C 1.340 177.728 176.600 -0.353 0.000 1.047 67 K CA 1.146 57.198 56.287 -0.391 0.000 0.976 67 K CB -0.019 32.220 32.500 -0.435 0.000 0.765 67 K HN 0.623 nan 8.250 nan 0.000 0.474 68 H N -1.689 117.123 119.070 -0.431 0.000 2.501 68 H HA 0.221 4.776 4.556 -0.000 0.000 0.281 68 H C 1.895 177.156 175.328 -0.111 0.000 0.988 68 H CA 0.818 56.696 56.048 -0.284 0.000 1.232 68 H CB 0.531 30.057 29.762 -0.394 0.000 1.455 68 H HN -0.017 nan 8.280 nan 0.000 0.501 69 S N 0.241 115.977 115.700 0.059 0.000 2.356 69 S HA -0.053 4.417 4.470 -0.000 0.000 0.219 69 S C 1.470 176.274 174.600 0.339 0.000 1.036 69 S CA 0.398 58.712 58.200 0.191 0.000 0.965 69 S CB -0.211 63.109 63.200 0.200 0.000 0.864 69 S HN 0.152 nan 8.310 nan 0.000 0.471 70 F N 2.688 122.653 119.950 0.026 0.000 2.118 70 F HA -0.330 4.197 4.527 -0.000 0.000 0.297 70 F C 2.456 178.295 175.800 0.064 0.000 1.061 70 F CA 0.526 58.546 58.000 0.035 0.000 1.268 70 F CB -1.538 37.449 39.000 -0.023 0.000 1.019 70 F HN 0.187 nan 8.300 nan 0.000 0.492 71 A N 0.290 123.239 122.820 0.215 0.000 1.836 71 A HA -0.308 4.012 4.320 -0.000 0.000 0.215 71 A C 2.237 179.861 177.584 0.066 0.000 1.214 71 A CA 1.975 54.069 52.037 0.095 0.000 0.636 71 A CB -1.331 17.691 19.000 0.036 0.000 0.847 71 A HN 0.375 nan 8.150 nan 0.000 0.451 72 N N -0.667 118.059 118.700 0.044 0.000 2.396 72 N HA -0.192 4.548 4.740 -0.000 0.000 0.191 72 N C 1.193 176.580 175.510 -0.206 0.000 1.015 72 N CA 1.497 54.503 53.050 -0.073 0.000 0.893 72 N CB -0.456 37.970 38.487 -0.102 0.000 0.956 72 N HN 0.719 nan 8.380 nan 0.000 0.445 73 H N -2.438 116.630 119.070 -0.003 0.000 2.705 73 H HA 0.224 4.780 4.556 -0.000 0.000 0.269 73 H C 1.207 176.499 175.328 -0.061 0.000 0.998 73 H CA 0.761 56.787 56.048 -0.037 0.000 1.193 73 H CB 0.751 30.473 29.762 -0.067 0.000 1.485 73 H HN 0.316 nan 8.280 nan 0.000 0.521 74 G N 1.117 109.933 108.800 0.028 0.000 2.159 74 G HA2 -0.252 3.708 3.960 -0.000 0.000 0.227 74 G HA3 -0.252 3.708 3.960 -0.000 0.000 0.227 74 G C 0.112 174.992 174.900 -0.032 0.000 0.986 74 G CA 0.169 45.266 45.100 -0.006 0.000 0.651 74 G HN 0.175 nan 8.290 nan 0.000 0.523 75 V N 1.901 121.781 119.914 -0.058 0.000 2.259 75 V HA 0.418 4.538 4.120 -0.000 0.000 0.267 75 V C 0.560 176.657 176.094 0.005 0.000 1.051 75 V CA -0.402 61.818 62.300 -0.132 0.000 0.830 75 V CB 1.228 32.756 31.823 -0.491 0.000 1.080 75 V HN 0.361 nan 8.190 nan 0.000 0.467 76 K N 4.960 125.372 120.400 0.021 0.000 2.253 76 K HA 0.579 4.899 4.320 -0.000 0.000 0.277 76 K C -0.431 176.207 176.600 0.063 0.000 1.053 76 K CA -0.424 55.892 56.287 0.048 0.000 0.892 76 K CB 1.388 33.900 32.500 0.021 0.000 1.102 76 K HN 0.543 nan 8.250 nan 0.000 0.469 77 V N 0.767 120.737 119.914 0.093 0.000 2.966 77 V HA 0.375 4.495 4.120 -0.000 0.000 0.317 77 V C 0.716 176.835 176.094 0.042 0.000 1.070 77 V CA -0.567 61.783 62.300 0.083 0.000 1.008 77 V CB 1.633 33.527 31.823 0.119 0.000 1.070 77 V HN 0.781 nan 8.190 nan 0.000 0.457 78 S N 1.140 116.860 115.700 0.033 0.000 2.384 78 S HA 0.207 4.677 4.470 -0.000 0.000 0.217 78 S C 0.605 175.213 174.600 0.014 0.000 1.041 78 S CA 0.458 58.670 58.200 0.019 0.000 0.948 78 S CB -0.225 62.986 63.200 0.018 0.000 0.872 78 S HN 0.903 nan 8.310 nan 0.000 0.512 79 N N 0.223 118.935 118.700 0.021 0.000 2.321 79 N HA 0.562 5.302 4.740 -0.000 0.000 0.290 79 N C -1.617 173.912 175.510 0.031 0.000 1.212 79 N CA -0.287 52.775 53.050 0.021 0.000 0.767 79 N CB 2.420 40.921 38.487 0.022 0.000 1.494 79 N HN -0.072 nan 8.380 nan 0.000 0.479 80 V N 1.182 121.122 119.914 0.044 0.000 2.567 80 V HA 0.362 4.482 4.120 -0.000 0.000 0.298 80 V C -0.355 175.838 176.094 0.165 0.000 1.047 80 V CA -0.546 61.803 62.300 0.081 0.000 0.880 80 V CB 1.911 33.747 31.823 0.022 0.000 1.009 80 V HN 0.644 nan 8.190 nan 0.000 0.429 81 E N 3.721 124.004 120.200 0.139 0.000 2.476 81 E HA 0.759 5.109 4.350 -0.000 0.000 0.246 81 E C -1.657 174.908 176.600 -0.057 0.000 0.872 81 E CA -1.061 55.382 56.400 0.071 0.000 0.867 81 E CB 2.510 32.221 29.700 0.019 0.000 1.533 81 E HN 0.458 nan 8.360 nan 0.000 0.399 82 I N 1.243 121.712 120.570 -0.169 0.000 2.531 82 I HA 0.099 4.269 4.170 -0.000 0.000 0.283 82 I C -1.031 175.013 176.117 -0.120 0.000 1.083 82 I CA -0.369 60.783 61.300 -0.247 0.000 1.071 82 I CB 1.614 39.341 38.000 -0.454 0.000 1.210 82 I HN 0.278 nan 8.210 nan 0.000 0.450 83 D N 5.937 126.294 120.400 -0.071 0.000 2.619 83 D HA 0.064 4.704 4.640 -0.000 0.000 0.224 83 D C 1.360 177.641 176.300 -0.032 0.000 1.133 83 D CA -0.104 53.875 54.000 -0.035 0.000 1.017 83 D CB 0.565 41.355 40.800 -0.017 0.000 1.077 83 D HN 0.541 nan 8.370 nan 0.000 0.503 84 L N 3.666 124.872 121.223 -0.030 0.000 2.064 84 L HA -0.299 4.041 4.340 -0.000 0.000 0.216 84 L C 2.196 179.077 176.870 0.018 0.000 1.077 84 L CA 2.514 57.357 54.840 0.004 0.000 0.766 84 L CB -0.426 41.666 42.059 0.056 0.000 0.890 84 L HN 0.360 nan 8.230 nan 0.000 0.435 85 A N -0.814 122.015 122.820 0.015 0.000 1.917 85 A HA -0.235 4.085 4.320 -0.000 0.000 0.219 85 A C 2.430 180.019 177.584 0.010 0.000 1.182 85 A CA 2.316 54.362 52.037 0.016 0.000 0.633 85 A CB -1.219 17.787 19.000 0.010 0.000 0.819 85 A HN 0.655 nan 8.150 nan 0.000 0.448 86 A N -0.981 121.840 122.820 0.002 0.000 1.835 86 A HA -0.102 4.218 4.320 -0.000 0.000 0.215 86 A C 2.253 179.835 177.584 -0.003 0.000 1.199 86 A CA 1.911 53.948 52.037 -0.001 0.000 0.615 86 A CB -0.692 18.307 19.000 -0.002 0.000 0.838 86 A HN 0.533 nan 8.150 nan 0.000 0.444 87 M N -1.020 118.574 119.600 -0.011 0.000 2.308 87 M HA -0.293 4.187 4.480 -0.000 0.000 0.257 87 M C 2.162 178.454 176.300 -0.014 0.000 1.070 87 M CA 2.427 57.714 55.300 -0.020 0.000 1.080 87 M CB -0.351 32.220 32.600 -0.048 0.000 1.274 87 M HN 0.390 nan 8.290 nan 0.000 0.434 88 M N -0.448 119.152 119.600 0.001 0.000 2.337 88 M HA -0.129 4.351 4.480 -0.000 0.000 0.261 88 M C 2.097 178.400 176.300 0.005 0.000 1.067 88 M CA 1.634 56.942 55.300 0.014 0.000 1.074 88 M CB -2.194 30.431 32.600 0.042 0.000 1.395 88 M HN 0.521 nan 8.290 nan 0.000 0.431 89 G N 1.206 110.007 108.800 0.002 0.000 2.524 89 G HA2 -0.280 3.680 3.960 -0.000 0.000 0.215 89 G HA3 -0.280 3.680 3.960 -0.000 0.000 0.215 89 G C 1.232 176.127 174.900 -0.009 0.000 1.239 89 G CA 1.219 46.317 45.100 -0.002 0.000 0.798 89 G HN 0.570 nan 8.290 nan 0.000 0.557 90 Q N 1.049 120.843 119.800 -0.010 0.000 2.234 90 Q HA -0.091 4.248 4.340 -0.000 0.000 0.206 90 Q C 2.100 178.085 176.000 -0.025 0.000 0.980 90 Q CA 2.188 57.980 55.803 -0.017 0.000 0.869 90 Q CB -0.425 28.304 28.738 -0.014 0.000 0.912 90 Q HN 0.607 nan 8.270 nan 0.000 0.436 91 K N 0.438 120.824 120.400 -0.023 0.000 1.985 91 K HA -0.222 4.098 4.320 -0.000 0.000 0.210 91 K C 1.278 177.862 176.600 -0.026 0.000 1.047 91 K CA 1.837 58.107 56.287 -0.028 0.000 0.932 91 K CB -0.381 32.106 32.500 -0.022 0.000 0.716 91 K HN 0.276 nan 8.250 nan 0.000 0.439 92 D N 0.951 121.341 120.400 -0.017 0.000 2.123 92 D HA -0.190 4.450 4.640 -0.000 0.000 0.196 92 D C 1.898 178.184 176.300 -0.024 0.000 0.992 92 D CA 1.083 55.073 54.000 -0.017 0.000 0.833 92 D CB -0.157 40.638 40.800 -0.008 0.000 0.954 92 D HN 0.361 nan 8.370 nan 0.000 0.455 93 K N 0.931 121.317 120.400 -0.023 0.000 2.044 93 K HA -0.193 4.127 4.320 -0.000 0.000 0.210 93 K C 2.029 178.608 176.600 -0.035 0.000 1.049 93 K CA 1.594 57.866 56.287 -0.026 0.000 0.927 93 K CB -0.072 32.415 32.500 -0.022 0.000 0.713 93 K HN 0.031 nan 8.250 nan 0.000 0.443 94 A N 0.817 123.613 122.820 -0.040 0.000 1.855 94 A HA -0.096 4.224 4.320 -0.000 0.000 0.215 94 A C 2.306 179.857 177.584 -0.055 0.000 1.191 94 A CA 1.639 53.645 52.037 -0.051 0.000 0.613 94 A CB -0.804 18.161 19.000 -0.058 0.000 0.829 94 A HN 0.179 nan 8.150 nan 0.000 0.442 95 V N 1.188 121.072 119.914 -0.051 0.000 2.220 95 V HA -0.345 3.775 4.120 -0.000 0.000 0.250 95 V C 3.050 179.108 176.094 -0.060 0.000 1.056 95 V CA 2.835 65.103 62.300 -0.054 0.000 1.016 95 V CB -1.282 30.515 31.823 -0.044 0.000 0.639 95 V HN 0.834 nan 8.190 nan 0.000 0.446 96 S N 0.369 116.039 115.700 -0.051 0.000 2.378 96 S HA -0.399 4.071 4.470 -0.000 0.000 0.221 96 S C 1.813 176.376 174.600 -0.062 0.000 1.037 96 S CA 2.260 60.428 58.200 -0.052 0.000 1.069 96 S CB -1.366 61.811 63.200 -0.039 0.000 1.006 96 S HN 0.688 nan 8.310 nan 0.000 0.423 97 N N 1.290 119.958 118.700 -0.054 0.000 2.157 97 N HA -0.231 4.509 4.740 -0.000 0.000 0.198 97 N C 1.815 177.280 175.510 -0.074 0.000 0.987 97 N CA 1.992 55.008 53.050 -0.056 0.000 0.899 97 N CB -0.494 37.963 38.487 -0.050 0.000 1.077 97 N HN 0.443 nan 8.380 nan 0.000 0.586 98 L N -0.154 121.020 121.223 -0.081 0.000 2.021 98 L HA -0.288 4.052 4.340 -0.000 0.000 0.215 98 L C 2.853 179.637 176.870 -0.142 0.000 1.074 98 L CA 2.143 56.922 54.840 -0.102 0.000 0.760 98 L CB -1.171 40.832 42.059 -0.094 0.000 0.889 98 L HN 0.596 nan 8.230 nan 0.000 0.433 99 T N -2.254 112.216 114.554 -0.140 0.000 2.652 99 T HA -0.275 4.075 4.350 -0.000 0.000 0.267 99 T C 1.949 176.538 174.700 -0.185 0.000 1.039 99 T CA 1.359 63.351 62.100 -0.181 0.000 1.153 99 T CB -0.410 68.379 68.868 -0.131 0.000 0.863 99 T HN 0.278 nan 8.240 nan 0.000 0.428 100 R N 0.957 121.385 120.500 -0.120 0.000 2.112 100 R HA -0.062 4.278 4.340 -0.000 0.000 0.242 100 R C 2.987 179.217 176.300 -0.117 0.000 1.137 100 R CA 1.658 57.702 56.100 -0.094 0.000 0.944 100 R CB -1.287 28.976 30.300 -0.061 0.000 0.857 100 R HN 0.618 nan 8.270 nan 0.000 0.435 101 G N 1.079 109.806 108.800 -0.121 0.000 2.469 101 G HA2 -0.252 3.708 3.960 -0.000 0.000 0.220 101 G HA3 -0.252 3.708 3.960 -0.000 0.000 0.220 101 G C 1.450 176.242 174.900 -0.180 0.000 1.136 101 G CA 0.781 45.809 45.100 -0.120 0.000 0.759 101 G HN 0.214 nan 8.290 nan 0.000 0.562 102 I N 0.030 120.420 120.570 -0.300 0.000 2.233 102 I HA -0.093 4.077 4.170 -0.000 0.000 0.243 102 I C 2.642 178.454 176.117 -0.508 0.000 1.093 102 I CA 1.346 62.340 61.300 -0.510 0.000 1.380 102 I CB -0.232 37.286 38.000 -0.804 0.000 1.067 102 I HN 0.269 nan 8.210 nan 0.000 0.413 103 E N 1.048 121.017 120.200 -0.385 0.000 2.085 103 E HA -0.210 4.140 4.350 -0.000 0.000 0.194 103 E C 2.102 178.666 176.600 -0.061 0.000 0.994 103 E CA 1.428 57.695 56.400 -0.221 0.000 0.801 103 E CB -0.212 29.458 29.700 -0.050 0.000 0.743 103 E HN 0.493 nan 8.360 nan 0.000 0.453 104 G N 0.006 108.765 108.800 -0.068 0.000 2.679 104 G HA2 -0.097 3.862 3.960 -0.000 0.000 0.212 104 G HA3 -0.097 3.862 3.960 -0.000 0.000 0.212 104 G C 1.327 176.236 174.900 0.015 0.000 1.137 104 G CA 0.009 45.104 45.100 -0.008 0.000 0.787 104 G HN 0.190 nan 8.290 nan 0.000 0.534 105 L N -1.112 120.106 121.223 -0.008 0.000 2.249 105 L HA 0.258 4.598 4.340 -0.000 0.000 0.207 105 L C 2.439 179.434 176.870 0.208 0.000 1.090 105 L CA 0.227 55.106 54.840 0.064 0.000 0.802 105 L CB -0.223 41.851 42.059 0.025 0.000 0.947 105 L HN 0.228 nan 8.230 nan 0.000 0.453 106 F N 0.843 120.778 119.950 -0.025 0.000 2.134 106 F HA -0.250 4.277 4.527 -0.000 0.000 0.299 106 F C 2.536 178.348 175.800 0.020 0.000 1.097 106 F CA 0.927 58.924 58.000 -0.005 0.000 1.264 106 F CB 0.077 39.062 39.000 -0.025 0.000 1.001 106 F HN 0.016 nan 8.300 nan 0.000 0.479 107 K N 0.402 120.929 120.400 0.212 0.000 2.026 107 K HA -0.223 4.096 4.320 -0.000 0.000 0.208 107 K C 1.978 178.630 176.600 0.087 0.000 1.048 107 K CA 1.294 57.656 56.287 0.124 0.000 0.929 107 K CB -0.227 32.329 32.500 0.093 0.000 0.713 107 K HN 0.105 nan 8.250 nan 0.000 0.439 108 K N 0.911 121.361 120.400 0.083 0.000 2.032 108 K HA -0.128 4.192 4.320 -0.000 0.000 0.209 108 K C 1.367 178.002 176.600 0.058 0.000 1.048 108 K CA 1.462 57.786 56.287 0.061 0.000 0.927 108 K CB 0.048 32.581 32.500 0.056 0.000 0.712 108 K HN 0.116 nan 8.250 nan 0.000 0.441 109 N N 0.976 119.720 118.700 0.074 0.000 2.398 109 N HA -0.018 4.722 4.740 -0.000 0.000 0.188 109 N C -0.542 174.983 175.510 0.024 0.000 1.122 109 N CA 0.436 53.517 53.050 0.051 0.000 0.866 109 N CB 0.478 39.003 38.487 0.062 0.000 0.970 109 N HN 0.173 nan 8.380 nan 0.000 0.462 110 K N -0.292 120.125 120.400 0.028 0.000 3.167 110 K HA -0.109 4.211 4.320 -0.000 0.000 0.272 110 K C -0.833 175.741 176.600 -0.042 0.000 1.137 110 K CA 0.111 56.403 56.287 0.008 0.000 0.800 110 K CB -1.792 30.715 32.500 0.012 0.000 1.253 110 K HN -0.053 nan 8.250 nan 0.000 0.497 111 V N 1.372 121.218 119.914 -0.112 0.000 2.530 111 V HA 0.089 4.209 4.120 -0.000 0.000 0.282 111 V C 0.944 176.935 176.094 -0.172 0.000 1.048 111 V CA -0.105 62.012 62.300 -0.305 0.000 0.997 111 V CB 1.629 32.922 31.823 -0.882 0.000 0.987 111 V HN 0.161 nan 8.190 nan 0.000 0.477 112 T N 5.653 120.139 114.554 -0.113 0.000 2.723 112 T HA 0.216 4.566 4.350 -0.000 0.000 0.297 112 T C -0.389 174.362 174.700 0.085 0.000 0.925 112 T CA 0.128 62.231 62.100 0.005 0.000 1.030 112 T CB -0.205 68.668 68.868 0.008 0.000 0.905 112 T HN 0.606 nan 8.240 nan 0.000 0.502 113 Y N 4.231 124.553 120.300 0.038 0.000 2.425 113 Y HA 0.435 4.984 4.550 -0.000 0.000 0.347 113 Y C -0.576 175.368 175.900 0.073 0.000 0.976 113 Y CA -0.946 57.227 58.100 0.122 0.000 1.190 113 Y CB 0.488 39.090 38.460 0.238 0.000 1.136 113 Y HN 0.259 nan 8.280 nan 0.000 0.517 114 V N 7.944 128.073 119.914 0.359 0.000 2.294 114 V HA 0.153 4.273 4.120 -0.000 0.000 0.272 114 V C -0.347 175.823 176.094 0.127 0.000 1.027 114 V CA -0.884 61.494 62.300 0.130 0.000 0.823 114 V CB 0.910 32.793 31.823 0.101 0.000 1.030 114 V HN 0.696 nan 8.190 nan 0.000 0.457 115 K N 4.026 124.386 120.400 -0.067 0.000 2.378 115 K HA 0.579 4.899 4.320 -0.000 0.000 0.288 115 K C 0.567 177.192 176.600 0.042 0.000 1.057 115 K CA 0.244 56.523 56.287 -0.013 0.000 0.971 115 K CB 0.968 33.379 32.500 -0.149 0.000 0.975 115 K HN 0.913 nan 8.250 nan 0.000 0.475 116 G N 2.143 110.998 108.800 0.091 0.000 2.315 116 G HA2 0.050 4.009 3.960 -0.000 0.000 0.294 116 G HA3 0.050 4.009 3.960 -0.000 0.000 0.294 116 G C -2.286 172.706 174.900 0.153 0.000 1.300 116 G CA -0.905 44.261 45.100 0.110 0.000 0.843 116 G HN 0.512 nan 8.290 nan 0.000 0.527 117 Y N 1.369 121.697 120.300 0.047 0.000 2.402 117 Y HA 0.525 5.075 4.550 -0.000 0.000 0.332 117 Y C 0.997 176.918 175.900 0.035 0.000 0.960 117 Y CA -0.378 57.755 58.100 0.056 0.000 1.228 117 Y CB 0.897 39.394 38.460 0.062 0.000 1.120 117 Y HN 0.834 nan 8.280 nan 0.000 0.491 118 G N 4.515 113.501 108.800 0.310 0.000 2.594 118 G HA2 0.249 4.209 3.960 -0.000 0.000 0.243 118 G HA3 0.249 4.209 3.960 -0.000 0.000 0.243 118 G C -1.262 173.769 174.900 0.219 0.000 1.229 118 G CA -0.374 44.828 45.100 0.169 0.000 0.843 118 G HN 0.615 nan 8.290 nan 0.000 0.578 119 K N 0.924 121.367 120.400 0.071 0.000 2.606 119 K HA 0.185 4.505 4.320 -0.000 0.000 0.259 119 K C -1.125 175.509 176.600 0.057 0.000 1.001 119 K CA -0.727 55.616 56.287 0.094 0.000 0.881 119 K CB 0.931 33.461 32.500 0.050 0.000 1.288 119 K HN 0.309 nan 8.250 nan 0.000 0.452 120 F N 2.822 122.797 119.950 0.042 0.000 2.607 120 F HA -0.049 4.479 4.527 0.000 0.000 0.374 120 F C 1.367 177.177 175.800 0.015 0.000 1.104 120 F CA 0.499 58.515 58.000 0.027 0.000 1.296 120 F CB 0.896 39.906 39.000 0.017 0.000 1.085 120 F HN 0.284 nan 8.300 nan 0.000 0.584 121 V N 1.245 121.264 119.914 0.174 0.000 3.604 121 V HA 0.161 4.281 4.120 -0.000 0.000 0.277 121 V C 0.010 176.173 176.094 0.114 0.000 1.399 121 V CA 0.872 63.235 62.300 0.106 0.000 1.034 121 V CB 0.300 32.153 31.823 0.051 0.000 0.824 121 V HN 0.806 nan 8.190 nan 0.000 0.439 122 S N -1.386 114.421 115.700 0.178 0.000 2.633 122 S HA 0.352 4.822 4.470 -0.000 0.000 0.271 122 S C -2.905 171.830 174.600 0.225 0.000 1.112 122 S CA -0.418 57.867 58.200 0.143 0.000 0.828 122 S CB 1.120 64.367 63.200 0.078 0.000 1.086 122 S HN -0.068 nan 8.310 nan 0.000 0.461 123 P HA 0.026 nan 4.420 nan 0.000 0.229 123 P C 0.854 178.254 177.300 0.166 0.000 1.150 123 P CA 1.571 64.750 63.100 0.132 0.000 0.765 123 P CB -0.000 31.717 31.700 0.028 0.000 0.783 124 S N -3.432 112.343 115.700 0.125 0.000 2.787 124 S HA 0.148 4.618 4.470 -0.000 0.000 0.255 124 S C 0.253 174.881 174.600 0.047 0.000 1.051 124 S CA -0.476 57.770 58.200 0.076 0.000 1.124 124 S CB -0.004 63.215 63.200 0.032 0.000 1.104 124 S HN 0.070 nan 8.310 nan 0.000 0.623 125 E N 0.885 121.115 120.200 0.049 0.000 2.292 125 E HA 0.601 4.951 4.350 -0.000 0.000 0.272 125 E C -1.614 174.966 176.600 -0.034 0.000 0.881 125 E CA -0.830 55.574 56.400 0.007 0.000 0.754 125 E CB 1.669 31.380 29.700 0.019 0.000 1.201 125 E HN 0.387 nan 8.360 nan 0.000 0.425 126 I N 2.426 122.948 120.570 -0.081 0.000 2.474 126 I HA 0.238 4.408 4.170 -0.000 0.000 0.294 126 I C -0.179 175.905 176.117 -0.053 0.000 1.005 126 I CA -0.838 60.385 61.300 -0.129 0.000 1.113 126 I CB 2.142 40.008 38.000 -0.224 0.000 1.289 126 I HN 0.367 nan 8.210 nan 0.000 0.436 127 S N 4.690 120.373 115.700 -0.028 0.000 2.442 127 S HA 0.476 4.946 4.470 -0.000 0.000 0.297 127 S C -0.480 174.126 174.600 0.011 0.000 1.131 127 S CA -0.546 57.653 58.200 -0.002 0.000 1.092 127 S CB 0.880 64.084 63.200 0.006 0.000 0.998 127 S HN 0.300 nan 8.310 nan 0.000 0.478 128 V N 5.970 125.897 119.914 0.022 0.000 2.364 128 V HA 0.173 4.293 4.120 -0.000 0.000 0.272 128 V C 0.978 177.109 176.094 0.062 0.000 1.036 128 V CA -0.501 61.832 62.300 0.055 0.000 0.880 128 V CB 0.953 32.808 31.823 0.054 0.000 0.991 128 V HN 0.867 nan 8.190 nan 0.000 0.460 129 D N 3.234 123.686 120.400 0.086 0.000 2.469 129 D HA -0.147 4.493 4.640 -0.000 0.000 0.216 129 D C 0.696 177.026 176.300 0.049 0.000 1.104 129 D CA 2.006 56.033 54.000 0.046 0.000 0.950 129 D CB 0.084 40.883 40.800 -0.002 0.000 1.283 129 D HN 0.638 nan 8.370 nan 0.000 0.502 130 T N -0.978 113.626 114.554 0.083 0.000 2.848 130 T HA 0.503 4.853 4.350 -0.000 0.000 0.285 130 T C 0.554 175.286 174.700 0.053 0.000 0.995 130 T CA -0.562 61.572 62.100 0.057 0.000 0.970 130 T CB 1.689 70.586 68.868 0.049 0.000 0.976 130 T HN 0.063 nan 8.240 nan 0.000 0.441 131 I N 0.912 121.499 120.570 0.028 0.000 4.471 131 I HA 0.298 4.468 4.170 -0.000 0.000 0.326 131 I C 1.430 177.551 176.117 0.008 0.000 1.300 131 I CA 0.246 61.554 61.300 0.013 0.000 1.237 131 I CB 0.709 38.709 38.000 -0.001 0.000 1.195 131 I HN 0.653 nan 8.210 nan 0.000 0.427 132 E N 0.176 120.382 120.200 0.010 0.000 2.436 132 E HA 0.126 4.476 4.350 -0.000 0.000 0.167 132 E C 0.737 177.342 176.600 0.008 0.000 0.898 132 E CA 0.699 57.103 56.400 0.007 0.000 1.354 132 E CB 0.797 30.498 29.700 0.001 0.000 1.442 132 E HN 0.268 nan 8.360 nan 0.000 0.671 133 G N 1.201 110.007 108.800 0.010 0.000 2.164 133 G HA2 -0.155 3.805 3.960 -0.000 0.000 0.154 133 G HA3 -0.155 3.805 3.960 -0.000 0.000 0.154 133 G C 0.185 175.088 174.900 0.005 0.000 1.014 133 G CA 0.115 45.219 45.100 0.007 0.000 0.683 133 G HN 0.129 nan 8.290 nan 0.000 0.500 134 E N -0.157 120.047 120.200 0.007 0.000 4.138 134 E HA 0.534 4.884 4.350 -0.000 0.000 0.369 134 E C 0.113 176.717 176.600 0.006 0.000 0.995 134 E CA -0.345 56.058 56.400 0.005 0.000 2.264 134 E CB 0.432 30.134 29.700 0.004 0.000 1.876 134 E HN 0.272 nan 8.360 nan 0.000 0.697 135 N N -0.671 118.033 118.700 0.007 0.000 2.777 135 N HA 0.125 4.865 4.740 -0.000 0.000 0.260 135 N C -2.046 173.469 175.510 0.008 0.000 1.113 135 N CA -0.004 53.051 53.050 0.008 0.000 0.996 135 N CB 1.178 39.668 38.487 0.004 0.000 1.584 135 N HN 0.108 nan 8.380 nan 0.000 0.573 136 T N 1.589 116.149 114.554 0.011 0.000 2.855 136 T HA 0.480 4.830 4.350 -0.000 0.000 0.281 136 T C -0.615 174.090 174.700 0.007 0.000 1.007 136 T CA -0.522 61.583 62.100 0.009 0.000 1.009 136 T CB 1.620 70.494 68.868 0.011 0.000 0.983 136 T HN 0.214 nan 8.240 nan 0.000 0.455 137 V N 3.506 123.423 119.914 0.004 0.000 2.311 137 V HA 0.330 4.450 4.120 -0.000 0.000 0.275 137 V C -0.198 175.895 176.094 -0.001 0.000 1.022 137 V CA -0.605 61.695 62.300 0.001 0.000 0.830 137 V CB 1.340 33.165 31.823 0.002 0.000 1.012 137 V HN 0.693 nan 8.190 nan 0.000 0.452 138 V N 6.918 126.827 119.914 -0.008 0.000 2.350 138 V HA 0.449 4.569 4.120 -0.000 0.000 0.276 138 V C 0.060 176.144 176.094 -0.017 0.000 1.028 138 V CA -0.481 61.813 62.300 -0.010 0.000 0.860 138 V CB 1.639 33.455 31.823 -0.012 0.000 0.990 138 V HN 0.779 nan 8.190 nan 0.000 0.453 139 K N 3.826 124.224 120.400 -0.004 0.000 2.292 139 K HA 0.791 5.111 4.320 -0.000 0.000 0.257 139 K C -0.086 176.521 176.600 0.012 0.000 0.940 139 K CA -0.459 55.829 56.287 0.001 0.000 0.811 139 K CB 2.242 34.746 32.500 0.006 0.000 1.120 139 K HN 0.820 nan 8.250 nan 0.000 0.428 140 G N 1.190 110.000 108.800 0.016 0.000 2.690 140 G HA2 0.188 4.148 3.960 -0.000 0.000 0.291 140 G HA3 0.188 4.148 3.960 -0.000 0.000 0.291 140 G C -0.056 174.849 174.900 0.008 0.000 1.403 140 G CA -0.648 44.471 45.100 0.031 0.000 0.864 140 G HN 0.473 nan 8.290 nan 0.000 0.480 141 K N -0.613 119.773 120.400 -0.023 0.000 2.002 141 K HA -0.046 4.274 4.320 -0.000 0.000 0.209 141 K C 0.007 176.407 176.600 -0.333 0.000 1.048 141 K CA 1.109 57.271 56.287 -0.208 0.000 0.930 141 K CB -0.156 32.171 32.500 -0.289 0.000 0.714 141 K HN 0.619 nan 8.250 nan 0.000 0.438 142 H N -0.600 118.563 119.070 0.156 0.000 2.489 142 H HA 0.413 4.969 4.556 -0.000 0.000 0.343 142 H C -0.624 174.817 175.328 0.189 0.000 1.086 142 H CA -0.570 55.616 56.048 0.231 0.000 1.198 142 H CB 1.647 31.578 29.762 0.281 0.000 1.490 142 H HN -0.042 nan 8.280 nan 0.000 0.504 143 I N 4.025 124.805 120.570 0.350 0.000 2.433 143 I HA 0.289 4.459 4.170 -0.000 0.000 0.292 143 I C -0.361 175.958 176.117 0.336 0.000 1.001 143 I CA -0.608 60.847 61.300 0.257 0.000 1.119 143 I CB 1.717 39.840 38.000 0.204 0.000 1.289 143 I HN 0.514 nan 8.210 nan 0.000 0.438 144 I N 7.058 127.755 120.570 0.211 0.000 2.337 144 I HA 0.329 4.499 4.170 -0.000 0.000 0.285 144 I C 0.242 176.443 176.117 0.141 0.000 1.041 144 I CA -0.459 60.950 61.300 0.182 0.000 1.199 144 I CB 0.880 38.904 38.000 0.040 0.000 1.370 144 I HN 0.372 nan 8.210 nan 0.000 0.470 145 I N 5.447 126.136 120.570 0.198 0.000 2.710 145 I HA 0.104 4.274 4.170 -0.000 0.000 0.286 145 I C 0.984 177.165 176.117 0.106 0.000 1.181 145 I CA 0.545 61.953 61.300 0.180 0.000 1.430 145 I CB 0.881 39.008 38.000 0.213 0.000 1.367 145 I HN 0.726 nan 8.210 nan 0.000 0.577 146 A N 3.851 126.722 122.820 0.084 0.000 2.515 146 A HA 0.216 4.536 4.320 -0.000 0.000 0.253 146 A C 0.426 178.048 177.584 0.064 0.000 0.863 146 A CA -0.281 51.787 52.037 0.050 0.000 1.124 146 A CB -0.323 18.691 19.000 0.023 0.000 1.214 146 A HN 0.732 nan 8.150 nan 0.000 0.470 147 T N -2.850 111.763 114.554 0.098 0.000 2.680 147 T HA 0.512 4.862 4.350 -0.000 0.000 0.314 147 T C 1.084 175.865 174.700 0.135 0.000 1.045 147 T CA 0.507 62.691 62.100 0.140 0.000 1.025 147 T CB 1.199 70.176 68.868 0.183 0.000 1.000 147 T HN 0.718 nan 8.240 nan 0.000 0.535 148 G N 0.049 108.953 108.800 0.173 0.000 3.157 148 G HA2 0.601 4.561 3.960 -0.000 0.000 0.206 148 G HA3 0.601 4.561 3.960 -0.000 0.000 0.206 148 G C 0.031 175.009 174.900 0.131 0.000 1.903 148 G CA 0.053 45.213 45.100 0.099 0.000 0.771 148 G HN 1.369 nan 8.290 nan 0.000 0.750 149 S N -1.508 114.240 115.700 0.079 0.000 2.776 149 S HA 0.701 5.171 4.470 -0.000 0.000 0.292 149 S C -1.607 173.002 174.600 0.015 0.000 1.187 149 S CA -0.390 57.865 58.200 0.092 0.000 0.834 149 S CB 2.607 65.828 63.200 0.036 0.000 1.199 149 S HN 0.617 nan 8.310 nan 0.000 0.514 150 D N -1.321 119.099 120.400 0.033 0.000 2.779 150 D HA 0.411 5.051 4.640 -0.000 0.000 0.331 150 D C -1.160 175.148 176.300 0.012 0.000 1.331 150 D CA -0.492 53.488 54.000 -0.033 0.000 0.866 150 D CB 1.500 42.249 40.800 -0.086 0.000 1.409 150 D HN 0.548 nan 8.370 nan 0.000 0.486 151 V N 1.374 121.289 119.914 0.001 0.000 2.694 151 V HA 0.107 4.227 4.120 -0.000 0.000 0.306 151 V C 0.523 176.638 176.094 0.035 0.000 1.054 151 V CA 0.277 62.588 62.300 0.018 0.000 1.161 151 V CB 0.573 32.404 31.823 0.012 0.000 0.916 151 V HN 0.439 nan 8.190 nan 0.000 0.490 152 K N 3.978 124.397 120.400 0.032 0.000 2.297 152 K HA 0.284 4.604 4.320 -0.000 0.000 0.286 152 K C 0.122 176.740 176.600 0.030 0.000 1.053 152 K CA 0.156 56.462 56.287 0.032 0.000 0.940 152 K CB 0.620 33.136 32.500 0.025 0.000 1.019 152 K HN 0.803 nan 8.250 nan 0.000 0.475 153 S N 3.263 118.982 115.700 0.031 0.000 2.603 153 S HA 0.358 4.828 4.470 -0.000 0.000 0.268 153 S C -0.703 173.910 174.600 0.021 0.000 1.317 153 S CA -0.794 57.423 58.200 0.028 0.000 1.012 153 S CB 0.739 63.958 63.200 0.030 0.000 0.926 153 S HN 0.490 nan 8.310 nan 0.000 0.539 154 L N 2.579 123.815 121.223 0.022 0.000 2.372 154 L HA 0.451 4.790 4.340 -0.000 0.000 0.274 154 L C -2.059 174.823 176.870 0.021 0.000 0.988 154 L CA -2.178 52.674 54.840 0.020 0.000 0.833 154 L CB 1.103 43.178 42.059 0.027 0.000 1.236 154 L HN 0.320 nan 8.230 nan 0.000 0.410 155 P HA -0.213 nan 4.420 nan 0.000 0.230 155 P C 0.757 178.070 177.300 0.022 0.000 1.150 155 P CA 1.937 65.048 63.100 0.019 0.000 0.933 155 P CB 0.249 31.959 31.700 0.018 0.000 0.785 156 G N -2.691 106.125 108.800 0.026 0.000 3.774 156 G HA2 0.347 4.307 3.960 -0.000 0.000 0.287 156 G HA3 0.347 4.307 3.960 -0.000 0.000 0.287 156 G C -0.566 174.348 174.900 0.023 0.000 1.030 156 G CA -0.020 45.095 45.100 0.025 0.000 0.824 156 G HN 0.165 nan 8.290 nan 0.000 0.518 157 V N 1.197 121.124 119.914 0.022 0.000 2.443 157 V HA 0.323 4.442 4.120 -0.000 0.000 0.272 157 V C 0.101 176.206 176.094 0.018 0.000 1.002 157 V CA -0.734 61.578 62.300 0.020 0.000 0.840 157 V CB 0.695 32.532 31.823 0.023 0.000 1.042 157 V HN 0.076 nan 8.190 nan 0.000 0.446 158 T N 5.425 119.988 114.554 0.015 0.000 2.899 158 T HA 0.588 4.938 4.350 -0.000 0.000 0.295 158 T C 0.079 174.786 174.700 0.012 0.000 1.033 158 T CA 0.246 62.355 62.100 0.014 0.000 1.084 158 T CB 0.722 69.597 68.868 0.013 0.000 0.979 158 T HN 0.440 nan 8.240 nan 0.000 0.532 159 I N 2.993 123.570 120.570 0.012 0.000 2.377 159 I HA 0.277 4.447 4.170 -0.000 0.000 0.293 159 I C 1.018 177.138 176.117 0.005 0.000 0.987 159 I CA -0.733 60.572 61.300 0.008 0.000 1.185 159 I CB 1.499 39.504 38.000 0.010 0.000 1.341 159 I HN 0.723 nan 8.210 nan 0.000 0.455 160 D N 5.328 125.728 120.400 -0.001 0.000 2.188 160 D HA 0.008 4.648 4.640 -0.000 0.000 0.239 160 D C 0.306 176.604 176.300 -0.004 0.000 1.059 160 D CA 0.942 54.941 54.000 -0.003 0.000 0.931 160 D CB 0.168 40.964 40.800 -0.008 0.000 1.011 160 D HN 0.681 nan 8.370 nan 0.000 0.424 161 E N -1.867 118.327 120.200 -0.010 0.000 1.490 161 E HA 0.068 4.418 4.350 -0.000 0.000 0.187 161 E C 0.896 177.482 176.600 -0.022 0.000 0.769 161 E CA 0.015 56.408 56.400 -0.012 0.000 1.080 161 E CB -0.438 29.258 29.700 -0.008 0.000 3.784 161 E HN 0.055 nan 8.360 nan 0.000 0.572 162 K N 1.357 121.743 120.400 -0.024 0.000 2.079 162 K HA 0.194 4.514 4.320 -0.000 0.000 0.214 162 K C 1.410 177.981 176.600 -0.049 0.000 1.024 162 K CA 1.161 57.427 56.287 -0.034 0.000 0.948 162 K CB 0.103 32.587 32.500 -0.026 0.000 0.830 162 K HN 0.072 nan 8.250 nan 0.000 0.452 163 K N 0.202 120.575 120.400 -0.044 0.000 2.374 163 K HA 0.292 4.612 4.320 -0.000 0.000 0.202 163 K C 0.278 176.848 176.600 -0.050 0.000 1.040 163 K CA 0.103 56.356 56.287 -0.056 0.000 1.085 163 K CB 0.687 33.157 32.500 -0.049 0.000 0.873 163 K HN 0.075 nan 8.250 nan 0.000 0.539 164 I N 3.244 123.793 120.570 -0.035 0.000 2.448 164 I HA 0.177 4.346 4.170 -0.000 0.000 0.281 164 I C -0.480 175.625 176.117 -0.019 0.000 1.027 164 I CA -1.198 60.089 61.300 -0.023 0.000 1.111 164 I CB 1.910 39.903 38.000 -0.012 0.000 1.236 164 I HN -0.080 nan 8.210 nan 0.000 0.452 165 V N 2.751 122.652 119.914 -0.021 0.000 3.096 165 V HA 0.781 4.901 4.120 -0.000 0.000 0.319 165 V C 0.224 176.323 176.094 0.009 0.000 1.103 165 V CA -0.370 61.924 62.300 -0.011 0.000 1.016 165 V CB 1.652 33.461 31.823 -0.023 0.000 1.090 165 V HN 0.701 nan 8.190 nan 0.000 0.449 166 S N 0.610 116.319 115.700 0.015 0.000 2.667 166 S HA 0.450 4.920 4.470 -0.000 0.000 0.292 166 S C 1.241 175.866 174.600 0.042 0.000 1.108 166 S CA 0.131 58.347 58.200 0.026 0.000 0.992 166 S CB 0.734 63.945 63.200 0.018 0.000 1.269 166 S HN 0.940 nan 8.310 nan 0.000 0.528 167 S N 1.511 117.237 115.700 0.043 0.000 2.378 167 S HA -0.134 4.336 4.470 -0.000 0.000 0.221 167 S C 2.051 176.687 174.600 0.059 0.000 1.037 167 S CA 2.086 60.320 58.200 0.057 0.000 1.069 167 S CB -1.483 61.740 63.200 0.039 0.000 1.006 167 S HN 0.821 nan 8.310 nan 0.000 0.423 168 T N 1.848 116.424 114.554 0.036 0.000 2.624 168 T HA -0.154 4.196 4.350 -0.000 0.000 0.268 168 T C 2.056 176.784 174.700 0.047 0.000 1.041 168 T CA 1.580 63.700 62.100 0.034 0.000 1.159 168 T CB -1.247 67.627 68.868 0.011 0.000 0.863 168 T HN 0.574 nan 8.240 nan 0.000 0.434 169 G N 1.211 110.031 108.800 0.033 0.000 2.469 169 G HA2 -0.112 3.848 3.960 -0.000 0.000 0.219 169 G HA3 -0.112 3.848 3.960 -0.000 0.000 0.219 169 G C 1.864 176.790 174.900 0.043 0.000 1.150 169 G CA 1.116 46.229 45.100 0.023 0.000 0.763 169 G HN 0.637 nan 8.290 nan 0.000 0.561 170 A N 0.590 123.456 122.820 0.076 0.000 1.908 170 A HA 0.059 4.379 4.320 -0.000 0.000 0.218 170 A C 2.326 180.141 177.584 0.385 0.000 1.181 170 A CA 1.341 53.479 52.037 0.167 0.000 0.627 170 A CB -0.379 18.737 19.000 0.193 0.000 0.818 170 A HN 0.377 nan 8.150 nan 0.000 0.445 171 L N -1.669 119.709 121.223 0.258 0.000 2.610 171 L HA 0.098 4.438 4.340 -0.000 0.000 0.232 171 L C 1.553 178.560 176.870 0.229 0.000 1.149 171 L CA 0.600 55.581 54.840 0.235 0.000 0.872 171 L CB -0.164 41.965 42.059 0.116 0.000 0.992 171 L HN 0.429 nan 8.230 nan 0.000 0.447 172 A N -0.152 122.790 122.820 0.204 0.000 2.585 172 A HA 0.417 4.737 4.320 -0.000 0.000 0.281 172 A C 0.392 178.037 177.584 0.100 0.000 0.945 172 A CA -0.482 51.641 52.037 0.144 0.000 1.031 172 A CB 0.124 19.169 19.000 0.075 0.000 1.221 172 A HN 0.098 nan 8.150 nan 0.000 0.496 173 L N 0.122 121.403 121.223 0.097 0.000 2.468 173 L HA 0.259 4.599 4.340 -0.000 0.000 0.253 173 L C 1.370 178.229 176.870 -0.018 0.000 1.237 173 L CA 0.424 55.196 54.840 -0.113 0.000 0.823 173 L CB 0.748 42.483 42.059 -0.540 0.000 1.124 173 L HN 0.459 nan 8.230 nan 0.000 0.504 174 S N -1.528 114.132 115.700 -0.067 0.000 2.952 174 S HA 0.284 4.754 4.470 -0.000 0.000 0.251 174 S C -0.244 174.339 174.600 -0.028 0.000 1.021 174 S CA -0.556 57.639 58.200 -0.008 0.000 1.067 174 S CB 0.197 63.392 63.200 -0.009 0.000 1.002 174 S HN 0.721 nan 8.310 nan 0.000 0.574 175 E N 1.155 121.304 120.200 -0.085 0.000 2.522 175 E HA 0.218 4.568 4.350 -0.000 0.000 0.315 175 E C -1.391 175.121 176.600 -0.147 0.000 0.917 175 E CA -0.541 55.813 56.400 -0.076 0.000 0.796 175 E CB 1.083 30.735 29.700 -0.080 0.000 1.323 175 E HN 0.409 nan 8.360 nan 0.000 0.397 176 I N 6.608 127.163 120.570 -0.025 0.000 2.691 176 I HA 0.043 4.213 4.170 -0.000 0.000 0.288 176 I C -1.626 174.454 176.117 -0.063 0.000 1.143 176 I CA -0.918 60.393 61.300 0.019 0.000 1.364 176 I CB -0.347 37.736 38.000 0.138 0.000 1.435 176 I HN 0.257 nan 8.210 nan 0.000 0.551 177 P HA 0.017 nan 4.420 nan 0.000 0.269 177 P C 0.107 177.380 177.300 -0.045 0.000 1.209 177 P CA -0.298 62.726 63.100 -0.127 0.000 0.776 177 P CB 1.308 32.888 31.700 -0.200 0.000 0.876 178 K N 1.770 122.150 120.400 -0.034 0.000 1.991 178 K HA 0.015 4.335 4.320 -0.000 0.000 0.207 178 K C 0.890 177.485 176.600 -0.009 0.000 1.045 178 K CA 1.429 57.711 56.287 -0.009 0.000 0.937 178 K CB -0.158 32.336 32.500 -0.011 0.000 0.720 178 K HN 0.461 nan 8.250 nan 0.000 0.438 179 K N 0.772 121.157 120.400 -0.024 0.000 2.323 179 K HA 0.277 4.597 4.320 -0.000 0.000 0.259 179 K C -1.304 175.273 176.600 -0.038 0.000 0.947 179 K CA -0.541 55.731 56.287 -0.024 0.000 0.819 179 K CB 1.080 33.567 32.500 -0.023 0.000 1.109 179 K HN -0.109 nan 8.250 nan 0.000 0.429 180 L N 3.488 124.692 121.223 -0.032 0.000 2.370 180 L HA 0.614 4.954 4.340 -0.000 0.000 0.266 180 L C -1.715 175.137 176.870 -0.029 0.000 1.002 180 L CA -0.661 54.154 54.840 -0.041 0.000 0.818 180 L CB 2.206 44.239 42.059 -0.043 0.000 1.325 180 L HN 0.344 nan 8.230 nan 0.000 0.418 181 V N 4.515 124.413 119.914 -0.026 0.000 2.577 181 V HA 0.531 4.650 4.120 -0.000 0.000 0.303 181 V C -0.829 175.266 176.094 0.001 0.000 1.042 181 V CA -0.639 61.651 62.300 -0.017 0.000 0.872 181 V CB 2.171 33.985 31.823 -0.014 0.000 0.998 181 V HN 0.561 nan 8.190 nan 0.000 0.423 182 V N 6.390 126.313 119.914 0.014 0.000 2.370 182 V HA 0.387 4.507 4.120 -0.000 0.000 0.279 182 V C 0.838 176.965 176.094 0.056 0.000 1.029 182 V CA -0.001 62.325 62.300 0.043 0.000 0.870 182 V CB 1.291 33.151 31.823 0.062 0.000 0.984 182 V HN 0.783 nan 8.190 nan 0.000 0.451 183 I N 3.269 123.874 120.570 0.059 0.000 2.141 183 I HA 0.085 4.255 4.170 -0.000 0.000 0.236 183 I C 1.883 178.056 176.117 0.093 0.000 1.071 183 I CA 1.407 62.750 61.300 0.072 0.000 1.345 183 I CB -0.170 37.868 38.000 0.063 0.000 1.066 183 I HN 0.794 nan 8.210 nan 0.000 0.406 184 G N 0.039 108.893 108.800 0.090 0.000 2.414 184 G HA2 0.319 4.279 3.960 -0.000 0.000 0.236 184 G HA3 0.319 4.279 3.960 -0.000 0.000 0.236 184 G C -0.122 174.854 174.900 0.127 0.000 1.293 184 G CA 0.199 45.361 45.100 0.104 0.000 0.869 184 G HN 0.495 nan 8.290 nan 0.000 0.556 185 A N 2.250 125.154 122.820 0.139 0.000 3.154 185 A HA 0.710 5.030 4.320 -0.000 0.000 0.310 185 A C 0.953 178.624 177.584 0.146 0.000 1.093 185 A CA 0.277 52.411 52.037 0.161 0.000 1.006 185 A CB -0.043 19.063 19.000 0.178 0.000 1.084 185 A HN 1.089 nan 8.150 nan 0.000 0.549 186 G N -1.047 107.849 108.800 0.159 0.000 3.099 186 G HA2 0.418 4.378 3.960 -0.000 0.000 0.151 186 G HA3 0.418 4.378 3.960 -0.000 0.000 0.151 186 G C 0.539 175.558 174.900 0.198 0.000 1.265 186 G CA -0.125 45.088 45.100 0.188 0.000 0.981 186 G HN 0.166 nan 8.290 nan 0.000 0.601 187 Y N 0.206 120.564 120.300 0.097 0.000 2.084 187 Y HA 0.008 4.558 4.550 -0.000 0.000 0.279 187 Y C 2.930 178.900 175.900 0.116 0.000 1.119 187 Y CA 1.515 59.677 58.100 0.103 0.000 1.101 187 Y CB -0.555 37.950 38.460 0.077 0.000 0.989 187 Y HN 0.175 nan 8.280 nan 0.000 0.484 188 I N -0.405 120.343 120.570 0.297 0.000 2.248 188 I HA -0.299 3.871 4.170 -0.000 0.000 0.248 188 I C 2.538 178.757 176.117 0.169 0.000 1.107 188 I CA 1.456 62.875 61.300 0.198 0.000 1.373 188 I CB -1.022 37.065 38.000 0.144 0.000 1.055 188 I HN 0.333 nan 8.210 nan 0.000 0.418 189 G N 1.378 110.279 108.800 0.167 0.000 2.464 189 G HA2 -0.166 3.794 3.960 -0.000 0.000 0.214 189 G HA3 -0.166 3.794 3.960 -0.000 0.000 0.214 189 G C 1.648 176.637 174.900 0.147 0.000 1.218 189 G CA 0.406 45.594 45.100 0.148 0.000 0.794 189 G HN 0.264 nan 8.290 nan 0.000 0.542 190 L N 0.325 121.644 121.223 0.160 0.000 2.129 190 L HA -0.133 4.206 4.340 -0.000 0.000 0.212 190 L C 2.869 179.818 176.870 0.131 0.000 1.087 190 L CA 1.315 56.246 54.840 0.152 0.000 0.757 190 L CB -0.484 41.684 42.059 0.181 0.000 0.896 190 L HN 0.348 nan 8.230 nan 0.000 0.434 191 E N -0.311 119.977 120.200 0.147 0.000 2.028 191 E HA -0.208 4.142 4.350 -0.000 0.000 0.191 191 E C 2.357 179.014 176.600 0.096 0.000 0.988 191 E CA 1.202 57.679 56.400 0.129 0.000 0.799 191 E CB -0.042 29.754 29.700 0.159 0.000 0.755 191 E HN 0.389 nan 8.360 nan 0.000 0.447 192 M N 0.009 119.684 119.600 0.126 0.000 2.067 192 M HA -0.081 4.399 4.480 -0.000 0.000 0.260 192 M C 2.546 178.952 176.300 0.177 0.000 1.069 192 M CA 1.553 56.953 55.300 0.167 0.000 1.117 192 M CB -1.731 31.014 32.600 0.242 0.000 1.334 192 M HN 0.194 nan 8.290 nan 0.000 0.407 193 G N 0.052 108.940 108.800 0.147 0.000 2.556 193 G HA2 -0.276 3.684 3.960 -0.000 0.000 0.220 193 G HA3 -0.276 3.684 3.960 -0.000 0.000 0.220 193 G C 1.860 176.801 174.900 0.069 0.000 1.156 193 G CA 1.700 46.861 45.100 0.103 0.000 0.766 193 G HN 0.479 nan 8.290 nan 0.000 0.583 194 S N -0.627 115.096 115.700 0.039 0.000 2.345 194 S HA -0.076 4.393 4.470 -0.000 0.000 0.220 194 S C 2.518 177.100 174.600 -0.029 0.000 1.031 194 S CA 1.038 59.237 58.200 -0.003 0.000 0.996 194 S CB -0.391 62.807 63.200 -0.004 0.000 0.882 194 S HN 0.202 nan 8.310 nan 0.000 0.445 195 V N 0.699 120.563 119.914 -0.082 0.000 2.227 195 V HA -0.305 3.815 4.120 -0.000 0.000 0.249 195 V C 1.929 177.843 176.094 -0.300 0.000 1.046 195 V CA 2.360 64.503 62.300 -0.262 0.000 1.015 195 V CB -1.058 30.475 31.823 -0.483 0.000 0.648 195 V HN 0.654 nan 8.190 nan 0.000 0.460 196 W N 0.243 121.558 121.300 0.025 0.000 2.318 196 W HA -0.131 4.529 4.660 -0.000 0.000 0.313 196 W C 2.579 179.114 176.519 0.026 0.000 1.221 196 W CA 1.413 58.769 57.345 0.017 0.000 1.266 196 W CB -1.270 28.194 29.460 0.006 0.000 1.150 196 W HN 0.411 nan 8.180 nan 0.000 0.496 197 G N 0.483 109.397 108.800 0.191 0.000 2.476 197 G HA2 -0.303 3.656 3.960 -0.000 0.000 0.218 197 G HA3 -0.303 3.656 3.960 -0.000 0.000 0.218 197 G C 1.460 176.427 174.900 0.113 0.000 1.164 197 G CA 1.419 46.590 45.100 0.120 0.000 0.768 197 G HN 0.234 nan 8.290 nan 0.000 0.560 198 R N -0.437 120.112 120.500 0.080 0.000 2.073 198 R HA 0.010 4.350 4.340 -0.000 0.000 0.234 198 R C 2.467 178.944 176.300 0.294 0.000 1.134 198 R CA 0.989 57.174 56.100 0.140 0.000 0.952 198 R CB -0.459 29.886 30.300 0.075 0.000 0.850 198 R HN 0.224 nan 8.270 nan 0.000 0.433 199 I N -0.652 120.037 120.570 0.198 0.000 2.248 199 I HA -0.211 3.959 4.170 -0.000 0.000 0.248 199 I C 1.692 177.902 176.117 0.155 0.000 1.107 199 I CA 2.223 63.592 61.300 0.114 0.000 1.373 199 I CB -0.667 37.339 38.000 0.009 0.000 1.055 199 I HN 0.550 nan 8.210 nan 0.000 0.418 200 G N -1.925 106.994 108.800 0.197 0.000 3.758 200 G HA2 -0.109 3.851 3.960 -0.000 0.000 0.206 200 G HA3 -0.109 3.851 3.960 -0.000 0.000 0.206 200 G C 0.494 175.474 174.900 0.135 0.000 0.946 200 G CA 0.198 45.398 45.100 0.166 0.000 0.885 200 G HN 0.285 nan 8.290 nan 0.000 0.392 201 S N 0.367 116.160 115.700 0.155 0.000 2.555 201 S HA 0.277 4.747 4.470 -0.000 0.000 0.264 201 S C 0.097 174.741 174.600 0.074 0.000 1.378 201 S CA 0.646 58.913 58.200 0.111 0.000 0.996 201 S CB 0.986 64.276 63.200 0.150 0.000 0.869 201 S HN 0.501 nan 8.310 nan 0.000 0.546 202 E N 0.702 120.924 120.200 0.038 0.000 2.186 202 E HA 0.459 4.809 4.350 -0.000 0.000 0.255 202 E C -0.867 175.729 176.600 -0.007 0.000 0.881 202 E CA -0.619 55.788 56.400 0.012 0.000 0.752 202 E CB 0.889 30.590 29.700 0.003 0.000 1.176 202 E HN 0.471 nan 8.360 nan 0.000 0.421 203 V N 1.590 121.490 119.914 -0.023 0.000 2.732 203 V HA 0.858 4.978 4.120 -0.000 0.000 0.310 203 V C -0.348 175.678 176.094 -0.113 0.000 1.053 203 V CA -0.216 62.056 62.300 -0.047 0.000 0.957 203 V CB 1.675 33.479 31.823 -0.031 0.000 1.018 203 V HN 0.680 nan 8.190 nan 0.000 0.452 204 T N 0.861 115.345 114.554 -0.117 0.000 3.032 204 T HA 0.692 5.042 4.350 -0.000 0.000 0.312 204 T C -0.847 173.776 174.700 -0.129 0.000 1.078 204 T CA -0.562 61.437 62.100 -0.168 0.000 1.028 204 T CB 1.165 69.969 68.868 -0.106 0.000 1.091 204 T HN 1.160 nan 8.240 nan 0.000 0.457 205 V N 2.380 122.183 119.914 -0.185 0.000 2.532 205 V HA 0.758 4.878 4.120 -0.000 0.000 0.295 205 V C -0.162 175.970 176.094 0.063 0.000 1.041 205 V CA -0.885 61.400 62.300 -0.024 0.000 0.926 205 V CB 1.631 33.503 31.823 0.081 0.000 0.992 205 V HN 0.856 nan 8.190 nan 0.000 0.457 206 V N 3.013 122.980 119.914 0.088 0.000 2.357 206 V HA 0.458 4.578 4.120 -0.000 0.000 0.281 206 V C -0.326 175.843 176.094 0.125 0.000 1.015 206 V CA -0.310 62.048 62.300 0.096 0.000 0.827 206 V CB 1.335 33.197 31.823 0.065 0.000 1.018 206 V HN 0.993 nan 8.190 nan 0.000 0.432 207 E N 2.162 122.449 120.200 0.145 0.000 2.212 207 E HA 0.453 4.803 4.350 -0.000 0.000 0.270 207 E C 0.015 176.723 176.600 0.181 0.000 0.956 207 E CA -0.603 55.897 56.400 0.166 0.000 0.825 207 E CB 1.556 31.350 29.700 0.156 0.000 1.167 207 E HN 0.362 nan 8.360 nan 0.000 0.400 208 F N 2.139 122.117 119.950 0.047 0.000 2.530 208 F HA 0.457 4.984 4.527 -0.000 0.000 0.292 208 F C 0.536 176.355 175.800 0.032 0.000 1.109 208 F CA 0.530 58.553 58.000 0.037 0.000 1.450 208 F CB 0.008 39.029 39.000 0.034 0.000 1.114 208 F HN 0.464 nan 8.300 nan 0.000 0.560 209 A N 0.124 123.165 122.820 0.368 0.000 2.366 209 A HA 0.335 4.655 4.320 -0.000 0.000 0.249 209 A C 1.579 179.230 177.584 0.112 0.000 1.084 209 A CA 0.319 52.504 52.037 0.245 0.000 0.794 209 A CB -0.050 19.053 19.000 0.171 0.000 1.034 209 A HN 0.488 nan 8.150 nan 0.000 0.491 210 S N 0.431 116.179 115.700 0.081 0.000 2.374 210 S HA -0.100 4.370 4.470 -0.000 0.000 0.227 210 S C 0.600 175.207 174.600 0.012 0.000 1.037 210 S CA 1.581 59.801 58.200 0.033 0.000 1.024 210 S CB -0.327 62.892 63.200 0.031 0.000 0.861 210 S HN 0.740 nan 8.310 nan 0.000 0.456 211 E N 0.450 120.658 120.200 0.013 0.000 2.431 211 E HA 0.548 4.898 4.350 -0.000 0.000 0.268 211 E C -0.449 176.131 176.600 -0.033 0.000 0.953 211 E CA -0.988 55.395 56.400 -0.028 0.000 0.810 211 E CB 1.738 31.421 29.700 -0.028 0.000 1.369 211 E HN 0.496 nan 8.360 nan 0.000 0.440 212 I N -1.873 118.636 120.570 -0.103 0.000 2.365 212 I HA 0.388 4.558 4.170 -0.000 0.000 0.291 212 I C -0.004 176.103 176.117 -0.017 0.000 1.004 212 I CA -1.009 60.238 61.300 -0.089 0.000 1.311 212 I CB 0.853 38.685 38.000 -0.280 0.000 1.401 212 I HN 0.142 nan 8.210 nan 0.000 0.491 213 V N 5.896 125.828 119.914 0.029 0.000 4.923 213 V HA -0.153 3.967 4.120 -0.000 0.000 0.378 213 V C -1.025 175.091 176.094 0.037 0.000 0.678 213 V CA 0.375 62.696 62.300 0.034 0.000 1.503 213 V CB -1.447 30.361 31.823 -0.024 0.000 1.812 213 V HN 0.946 nan 8.190 nan 0.000 0.469 214 P HA -0.188 nan 4.420 nan 0.000 0.217 214 P C 1.612 178.944 177.300 0.053 0.000 1.150 214 P CA 2.195 65.326 63.100 0.051 0.000 0.832 214 P CB 0.060 31.795 31.700 0.059 0.000 0.787 215 T N -4.056 110.543 114.554 0.074 0.000 3.035 215 T HA -0.017 4.333 4.350 -0.000 0.000 0.268 215 T C 1.105 175.845 174.700 0.066 0.000 1.109 215 T CA -0.002 62.143 62.100 0.076 0.000 1.119 215 T CB -0.795 68.139 68.868 0.109 0.000 0.900 215 T HN 0.006 nan 8.240 nan 0.000 0.503 216 M N 2.571 122.195 119.600 0.041 0.000 2.238 216 M HA 0.169 4.649 4.480 -0.000 0.000 0.347 216 M C -0.220 176.107 176.300 0.046 0.000 1.173 216 M CA -0.293 55.020 55.300 0.022 0.000 1.147 216 M CB 0.518 33.088 32.600 -0.049 0.000 1.547 216 M HN 0.200 nan 8.290 nan 0.000 0.455 217 D N 3.637 124.095 120.400 0.096 0.000 2.472 217 D HA 0.162 4.802 4.640 -0.000 0.000 0.248 217 D C 1.038 177.332 176.300 -0.009 0.000 1.174 217 D CA 0.660 54.673 54.000 0.021 0.000 0.883 217 D CB 0.960 41.701 40.800 -0.099 0.000 1.149 217 D HN 0.673 nan 8.370 nan 0.000 0.488 218 A N 4.374 127.185 122.820 -0.015 0.000 1.883 218 A HA -0.383 3.937 4.320 -0.000 0.000 0.222 218 A C 1.997 179.577 177.584 -0.007 0.000 1.339 218 A CA 2.230 54.262 52.037 -0.008 0.000 0.692 218 A CB -1.086 17.909 19.000 -0.010 0.000 0.845 218 A HN 0.870 nan 8.150 nan 0.000 0.467 219 E N -1.003 119.186 120.200 -0.019 0.000 2.086 219 E HA -0.232 4.118 4.350 -0.000 0.000 0.200 219 E C 1.952 178.556 176.600 0.007 0.000 1.012 219 E CA 1.737 58.132 56.400 -0.009 0.000 0.812 219 E CB -0.192 29.496 29.700 -0.020 0.000 0.743 219 E HN 0.569 nan 8.360 nan 0.000 0.453 220 I N 0.678 121.248 120.570 0.000 0.000 2.202 220 I HA -0.236 3.934 4.170 -0.000 0.000 0.242 220 I C 2.646 178.800 176.117 0.063 0.000 1.091 220 I CA 1.311 62.626 61.300 0.026 0.000 1.368 220 I CB -1.412 36.599 38.000 0.018 0.000 1.058 220 I HN 0.214 nan 8.210 nan 0.000 0.410 221 R N 1.621 122.152 120.500 0.051 0.000 2.143 221 R HA -0.252 4.088 4.340 -0.000 0.000 0.239 221 R C 2.294 178.647 176.300 0.089 0.000 1.126 221 R CA 2.173 58.331 56.100 0.097 0.000 0.927 221 R CB -0.166 30.159 30.300 0.041 0.000 0.860 221 R HN 0.274 nan 8.270 nan 0.000 0.433 222 K N 0.169 120.588 120.400 0.031 0.000 1.986 222 K HA -0.314 4.006 4.320 -0.000 0.000 0.230 222 K C 2.300 178.916 176.600 0.027 0.000 1.048 222 K CA 2.631 58.923 56.287 0.008 0.000 1.008 222 K CB -0.465 32.039 32.500 0.006 0.000 0.737 222 K HN 0.415 nan 8.250 nan 0.000 0.447 223 Q N -0.478 119.352 119.800 0.051 0.000 2.197 223 Q HA -0.218 4.122 4.340 -0.000 0.000 0.207 223 Q C 2.062 178.129 176.000 0.112 0.000 0.984 223 Q CA 1.654 57.496 55.803 0.066 0.000 0.869 223 Q CB -0.231 28.549 28.738 0.070 0.000 0.906 223 Q HN 0.318 nan 8.270 nan 0.000 0.426 224 F N 1.355 121.282 119.950 -0.039 0.000 2.102 224 F HA -0.216 4.311 4.527 -0.000 0.000 0.298 224 F C 2.363 178.136 175.800 -0.045 0.000 1.105 224 F CA 1.844 59.816 58.000 -0.046 0.000 1.239 224 F CB -0.409 38.549 39.000 -0.069 0.000 0.991 224 F HN 0.031 nan 8.300 nan 0.000 0.474 225 Q N 0.353 120.027 119.800 -0.209 0.000 1.993 225 Q HA -0.281 4.059 4.340 -0.000 0.000 0.202 225 Q C 2.554 178.454 176.000 -0.167 0.000 0.984 225 Q CA 2.018 57.608 55.803 -0.354 0.000 0.837 225 Q CB -0.400 28.133 28.738 -0.342 0.000 0.902 225 Q HN 0.419 nan 8.270 nan 0.000 0.423 226 R N -0.279 120.172 120.500 -0.083 0.000 2.140 226 R HA -0.205 4.135 4.340 -0.000 0.000 0.250 226 R C 2.438 178.721 176.300 -0.028 0.000 1.150 226 R CA 1.956 58.041 56.100 -0.026 0.000 0.966 226 R CB -0.503 29.794 30.300 -0.006 0.000 0.869 226 R HN 0.196 nan 8.270 nan 0.000 0.445 227 S N -0.247 115.422 115.700 -0.052 0.000 2.387 227 S HA 0.020 4.490 4.470 -0.000 0.000 0.226 227 S C 1.810 176.354 174.600 -0.093 0.000 1.026 227 S CA 0.697 58.869 58.200 -0.046 0.000 0.972 227 S CB -0.085 63.114 63.200 -0.002 0.000 0.814 227 S HN 0.363 nan 8.310 nan 0.000 0.477 228 L N 0.996 122.101 121.223 -0.197 0.000 2.265 228 L HA -0.108 4.232 4.340 -0.000 0.000 0.215 228 L C 2.381 179.235 176.870 -0.027 0.000 1.117 228 L CA 1.200 55.942 54.840 -0.163 0.000 0.782 228 L CB -0.387 41.541 42.059 -0.217 0.000 0.914 228 L HN 0.467 nan 8.230 nan 0.000 0.441 229 E N 0.313 120.527 120.200 0.024 0.000 2.022 229 E HA -0.177 4.172 4.350 -0.000 0.000 0.190 229 E C 1.949 178.550 176.600 0.001 0.000 0.973 229 E CA 0.749 57.173 56.400 0.041 0.000 0.816 229 E CB -0.160 29.591 29.700 0.085 0.000 0.781 229 E HN 0.409 nan 8.360 nan 0.000 0.456 230 K N 0.810 121.212 120.400 0.003 0.000 2.206 230 K HA -0.263 4.057 4.320 -0.000 0.000 0.211 230 K C 1.242 177.841 176.600 -0.001 0.000 1.047 230 K CA 1.565 57.855 56.287 0.004 0.000 0.933 230 K CB -0.210 32.293 32.500 0.005 0.000 0.721 230 K HN 0.029 nan 8.250 nan 0.000 0.471 231 Q N 1.464 121.254 119.800 -0.018 0.000 2.560 231 Q HA 0.196 4.536 4.340 -0.000 0.000 0.238 231 Q C -0.762 175.214 176.000 -0.039 0.000 1.079 231 Q CA 0.202 55.989 55.803 -0.027 0.000 0.866 231 Q CB 0.930 29.636 28.738 -0.055 0.000 1.153 231 Q HN 0.486 nan 8.270 nan 0.000 0.530 232 G N 3.688 112.472 108.800 -0.027 0.000 2.732 232 G HA2 -0.179 3.780 3.960 -0.000 0.000 0.344 232 G HA3 -0.179 3.780 3.960 -0.000 0.000 0.344 232 G C -0.258 174.591 174.900 -0.086 0.000 0.089 232 G CA 1.008 46.083 45.100 -0.041 0.000 1.231 232 G HN 0.688 nan 8.290 nan 0.000 0.565 233 M N 1.196 120.716 119.600 -0.135 0.000 3.019 233 M HA 0.451 4.931 4.480 -0.000 0.000 0.256 233 M C -1.792 174.291 176.300 -0.361 0.000 0.911 233 M CA -0.763 54.370 55.300 -0.278 0.000 0.794 233 M CB 1.059 33.465 32.600 -0.323 0.000 1.643 233 M HN 0.638 nan 8.290 nan 0.000 0.572 234 K N 1.983 122.031 120.400 -0.586 0.000 2.542 234 K HA 0.659 4.979 4.320 -0.000 0.000 0.259 234 K C -2.062 174.165 176.600 -0.622 0.000 0.932 234 K CA -0.585 55.440 56.287 -0.438 0.000 0.820 234 K CB 2.214 34.603 32.500 -0.185 0.000 1.345 234 K HN 0.393 nan 8.250 nan 0.000 0.432 235 F N 1.384 121.322 119.950 -0.021 0.000 2.507 235 F HA 0.415 4.942 4.527 -0.000 0.000 0.325 235 F C 0.018 175.813 175.800 -0.009 0.000 1.116 235 F CA -0.926 57.066 58.000 -0.014 0.000 0.930 235 F CB 1.752 40.741 39.000 -0.019 0.000 1.146 235 F HN 0.097 nan 8.300 nan 0.000 0.447 236 K N 5.156 125.642 120.400 0.143 0.000 2.357 236 K HA 0.453 4.773 4.320 -0.000 0.000 0.251 236 K C -0.567 176.087 176.600 0.090 0.000 1.069 236 K CA -0.300 56.036 56.287 0.082 0.000 0.994 236 K CB 0.910 33.435 32.500 0.042 0.000 1.411 236 K HN 0.569 nan 8.250 nan 0.000 0.450 237 L N 1.843 123.114 121.223 0.081 0.000 2.476 237 L HA 0.113 4.453 4.340 -0.000 0.000 0.255 237 L C 0.768 177.635 176.870 -0.006 0.000 1.218 237 L CA -0.359 54.511 54.840 0.050 0.000 0.819 237 L CB 0.038 42.116 42.059 0.030 0.000 1.119 237 L HN 0.573 nan 8.230 nan 0.000 0.485 238 K N -0.604 119.777 120.400 -0.033 0.000 3.100 238 K HA -0.187 4.133 4.320 -0.000 0.000 0.261 238 K C -0.764 175.686 176.600 -0.251 0.000 0.920 238 K CA 0.517 56.709 56.287 -0.159 0.000 0.683 238 K CB -1.788 30.631 32.500 -0.134 0.000 1.349 238 K HN 0.681 nan 8.250 nan 0.000 0.473 239 T N -0.084 114.371 114.554 -0.165 0.000 2.840 239 T HA 0.317 4.667 4.350 -0.000 0.000 0.287 239 T C -0.230 174.443 174.700 -0.045 0.000 0.991 239 T CA -1.009 61.013 62.100 -0.130 0.000 0.964 239 T CB 2.330 71.177 68.868 -0.035 0.000 0.954 239 T HN 0.183 nan 8.240 nan 0.000 0.438 240 K N 1.924 122.294 120.400 -0.050 0.000 2.109 240 K HA 0.677 4.997 4.320 -0.000 0.000 0.243 240 K C -0.439 176.214 176.600 0.088 0.000 1.006 240 K CA -0.817 55.560 56.287 0.150 0.000 0.917 240 K CB 0.988 33.625 32.500 0.228 0.000 1.081 240 K HN 0.504 nan 8.250 nan 0.000 0.468 241 V N 1.193 121.167 119.914 0.101 0.000 2.357 241 V HA 0.217 4.337 4.120 -0.000 0.000 0.281 241 V C 0.692 176.819 176.094 0.054 0.000 1.015 241 V CA -0.832 61.505 62.300 0.063 0.000 0.827 241 V CB 0.880 32.737 31.823 0.057 0.000 1.018 241 V HN 0.666 nan 8.190 nan 0.000 0.432 242 V N 4.850 124.789 119.914 0.042 0.000 2.250 242 V HA 0.020 4.140 4.120 -0.000 0.000 0.240 242 V C 1.631 177.743 176.094 0.031 0.000 1.025 242 V CA 2.337 64.659 62.300 0.036 0.000 0.999 242 V CB -0.805 31.034 31.823 0.026 0.000 0.646 242 V HN 1.081 nan 8.190 nan 0.000 0.470 243 G N -0.775 108.039 108.800 0.023 0.000 2.495 243 G HA2 0.560 4.520 3.960 -0.000 0.000 0.318 243 G HA3 0.560 4.520 3.960 -0.000 0.000 0.318 243 G C -1.329 173.580 174.900 0.016 0.000 1.257 243 G CA -0.342 44.770 45.100 0.019 0.000 0.962 243 G HN 0.220 nan 8.290 nan 0.000 0.483 244 V N 2.051 121.974 119.914 0.015 0.000 2.546 244 V HA 0.301 4.421 4.120 -0.000 0.000 0.284 244 V C -0.583 175.514 176.094 0.006 0.000 1.050 244 V CA -0.594 61.712 62.300 0.010 0.000 0.981 244 V CB 1.571 33.400 31.823 0.010 0.000 0.990 244 V HN 0.640 nan 8.190 nan 0.000 0.474 245 D N 3.062 123.464 120.400 0.003 0.000 2.381 245 D HA 0.411 5.051 4.640 -0.000 0.000 0.235 245 D C -0.003 176.295 176.300 -0.004 0.000 1.068 245 D CA -0.113 53.887 54.000 0.000 0.000 0.832 245 D CB 1.962 42.762 40.800 -0.000 0.000 1.101 245 D HN 0.709 nan 8.370 nan 0.000 0.515 246 T N -1.432 113.120 114.554 -0.004 0.000 3.410 246 T HA 0.335 4.685 4.350 -0.000 0.000 0.328 246 T C -0.020 174.675 174.700 -0.007 0.000 1.567 246 T CA -0.774 61.321 62.100 -0.007 0.000 1.626 246 T CB 0.062 68.925 68.868 -0.008 0.000 0.939 246 T HN 0.114 nan 8.240 nan 0.000 0.656 247 S N 0.961 116.657 115.700 -0.007 0.000 2.359 247 S HA 0.722 5.192 4.470 -0.000 0.000 0.148 247 S C 0.221 174.817 174.600 -0.007 0.000 1.610 247 S CA 0.203 58.399 58.200 -0.006 0.000 1.274 247 S CB -0.289 62.908 63.200 -0.004 0.000 1.380 247 S HN 1.248 nan 8.310 nan 0.000 0.380 248 G N 2.031 110.826 108.800 -0.010 0.000 2.393 248 G HA2 0.270 4.230 3.960 -0.000 0.000 0.264 248 G HA3 0.270 4.230 3.960 -0.000 0.000 0.264 248 G C -0.785 174.106 174.900 -0.014 0.000 1.221 248 G CA -0.115 44.979 45.100 -0.011 0.000 0.912 248 G HN 0.351 nan 8.290 nan 0.000 0.483 249 D N 0.201 120.592 120.400 -0.014 0.000 2.096 249 D HA 0.229 4.869 4.640 -0.000 0.000 0.200 249 D C 1.825 178.112 176.300 -0.022 0.000 0.980 249 D CA 1.883 55.872 54.000 -0.018 0.000 0.860 249 D CB -0.683 40.107 40.800 -0.017 0.000 1.005 249 D HN 0.633 nan 8.370 nan 0.000 0.449 250 G N -0.420 108.366 108.800 -0.023 0.000 2.849 250 G HA2 0.489 4.449 3.960 -0.000 0.000 0.174 250 G HA3 0.489 4.449 3.960 -0.000 0.000 0.174 250 G C -0.842 174.044 174.900 -0.024 0.000 1.370 250 G CA -0.409 44.674 45.100 -0.028 0.000 1.040 250 G HN 0.133 nan 8.290 nan 0.000 0.582 251 V N 0.493 120.393 119.914 -0.024 0.000 2.459 251 V HA 0.427 4.547 4.120 -0.000 0.000 0.295 251 V C -0.168 175.918 176.094 -0.013 0.000 1.029 251 V CA -0.748 61.541 62.300 -0.018 0.000 0.874 251 V CB 1.574 33.386 31.823 -0.019 0.000 0.985 251 V HN 0.502 nan 8.190 nan 0.000 0.438 252 K N 4.524 124.919 120.400 -0.008 0.000 2.263 252 K HA 0.613 4.933 4.320 -0.000 0.000 0.272 252 K C -1.224 175.375 176.600 -0.001 0.000 1.033 252 K CA -0.440 55.844 56.287 -0.005 0.000 0.884 252 K CB 0.990 33.487 32.500 -0.004 0.000 1.107 252 K HN 0.539 nan 8.250 nan 0.000 0.460 253 L N 2.796 124.020 121.223 0.000 0.000 2.309 253 L HA 0.330 4.670 4.340 -0.000 0.000 0.282 253 L C 0.547 177.421 176.870 0.007 0.000 1.036 253 L CA -0.623 54.220 54.840 0.005 0.000 0.806 253 L CB 1.784 43.847 42.059 0.007 0.000 1.220 253 L HN 0.597 nan 8.230 nan 0.000 0.429 254 T N 0.532 115.092 114.554 0.010 0.000 3.254 254 T HA 0.328 4.678 4.350 -0.000 0.000 0.385 254 T C -0.459 174.249 174.700 0.014 0.000 1.528 254 T CA -0.572 61.534 62.100 0.010 0.000 1.212 254 T CB 0.681 69.555 68.868 0.010 0.000 1.145 254 T HN 0.253 nan 8.240 nan 0.000 0.631 255 V N 4.475 124.396 119.914 0.012 0.000 2.385 255 V HA 0.501 4.621 4.120 -0.000 0.000 0.269 255 V C -0.045 176.052 176.094 0.005 0.000 1.043 255 V CA -0.450 61.859 62.300 0.014 0.000 0.906 255 V CB 0.466 32.298 31.823 0.015 0.000 0.995 255 V HN 0.966 nan 8.190 nan 0.000 0.467 256 E N 7.800 128.003 120.200 0.005 0.000 2.210 256 E HA 0.625 4.975 4.350 -0.000 0.000 0.266 256 E C -2.904 173.681 176.600 -0.025 0.000 0.883 256 E CA -2.343 54.053 56.400 -0.007 0.000 0.761 256 E CB 2.110 31.811 29.700 0.001 0.000 1.156 256 E HN 0.381 nan 8.360 nan 0.000 0.412 257 P HA -0.104 nan 4.420 nan 0.000 0.272 257 P C -0.141 177.078 177.300 -0.135 0.000 1.239 257 P CA 0.077 63.113 63.100 -0.106 0.000 0.807 257 P CB 0.391 32.033 31.700 -0.097 0.000 0.951 258 S N -0.661 114.867 115.700 -0.287 0.000 2.967 258 S HA 0.426 4.895 4.470 -0.000 0.000 0.254 258 S C 0.577 175.098 174.600 -0.133 0.000 1.089 258 S CA 0.450 58.450 58.200 -0.333 0.000 1.183 258 S CB -0.921 61.641 63.200 -1.064 0.000 0.848 258 S HN 0.608 nan 8.310 nan 0.000 0.477 259 A N 1.089 123.865 122.820 -0.074 0.000 3.218 259 A HA 0.581 4.901 4.320 -0.000 0.000 0.123 259 A C 0.921 178.491 177.584 -0.024 0.000 1.380 259 A CA -0.181 51.837 52.037 -0.032 0.000 1.781 259 A CB -0.853 18.124 19.000 -0.038 0.000 1.684 259 A HN 0.701 nan 8.150 nan 0.000 0.736 260 G N 1.816 110.599 108.800 -0.028 0.000 2.451 260 G HA2 0.384 4.344 3.960 -0.000 0.000 0.287 260 G HA3 0.384 4.344 3.960 -0.000 0.000 0.287 260 G C 0.932 175.822 174.900 -0.017 0.000 0.617 260 G CA 0.764 45.853 45.100 -0.019 0.000 2.108 260 G HN 1.741 nan 8.290 nan 0.000 0.531 261 G N 1.438 110.233 108.800 -0.008 0.000 2.801 261 G HA2 0.122 4.082 3.960 -0.000 0.000 0.246 261 G HA3 0.122 4.082 3.960 -0.000 0.000 0.246 261 G C 0.588 175.486 174.900 -0.003 0.000 0.760 261 G CA 0.246 45.344 45.100 -0.004 0.000 1.934 261 G HN 0.853 nan 8.290 nan 0.000 0.568 262 E N 0.504 120.699 120.200 -0.008 0.000 2.751 262 E HA 0.300 4.650 4.350 -0.000 0.000 0.219 262 E C 0.201 176.798 176.600 -0.005 0.000 1.060 262 E CA -0.843 55.554 56.400 -0.005 0.000 0.893 262 E CB 0.343 30.040 29.700 -0.006 0.000 1.300 262 E HN 0.533 nan 8.360 nan 0.000 0.433 263 Q N 1.321 121.120 119.800 -0.002 0.000 2.410 263 Q HA 0.044 4.384 4.340 -0.000 0.000 0.329 263 Q C -0.152 175.848 176.000 -0.001 0.000 1.211 263 Q CA 0.644 56.447 55.803 0.000 0.000 1.015 263 Q CB 0.269 29.009 28.738 0.004 0.000 1.276 263 Q HN 0.505 nan 8.270 nan 0.000 0.436 264 T N 0.148 114.702 114.554 -0.000 0.000 2.754 264 T HA 0.662 5.012 4.350 -0.000 0.000 0.296 264 T C -1.385 173.315 174.700 0.001 0.000 1.205 264 T CA -0.721 61.378 62.100 -0.001 0.000 1.009 264 T CB 1.233 70.100 68.868 -0.003 0.000 1.368 264 T HN 0.514 nan 8.240 nan 0.000 0.509 265 I N 1.142 121.712 120.570 -0.000 0.000 2.499 265 I HA 0.600 4.770 4.170 -0.000 0.000 0.288 265 I C -1.555 174.561 176.117 -0.002 0.000 1.048 265 I CA -0.785 60.516 61.300 0.000 0.000 1.062 265 I CB 0.892 38.892 38.000 -0.000 0.000 1.238 265 I HN 0.572 nan 8.210 nan 0.000 0.426 266 I N 6.847 127.416 120.570 -0.001 0.000 2.392 266 I HA 0.366 4.535 4.170 -0.000 0.000 0.295 266 I C -0.290 175.823 176.117 -0.007 0.000 0.985 266 I CA -0.599 60.698 61.300 -0.004 0.000 1.221 266 I CB 1.369 39.367 38.000 -0.003 0.000 1.366 266 I HN 0.518 nan 8.210 nan 0.000 0.467 267 E N 5.106 125.300 120.200 -0.010 0.000 2.175 267 E HA 0.743 5.093 4.350 -0.000 0.000 0.278 267 E C -0.877 175.713 176.600 -0.016 0.000 0.969 267 E CA -0.678 55.715 56.400 -0.012 0.000 0.796 267 E CB 2.042 31.735 29.700 -0.012 0.000 1.104 267 E HN 0.678 nan 8.360 nan 0.000 0.395 268 A N 2.906 125.714 122.820 -0.020 0.000 2.577 268 A HA 0.210 4.530 4.320 -0.000 0.000 0.297 268 A C -0.207 177.357 177.584 -0.034 0.000 1.060 268 A CA -0.709 51.312 52.037 -0.027 0.000 0.697 268 A CB 1.238 20.223 19.000 -0.026 0.000 1.281 268 A HN 0.651 nan 8.150 nan 0.000 0.402 269 D N -0.086 120.287 120.400 -0.045 0.000 2.077 269 D HA 0.036 4.676 4.640 -0.000 0.000 0.196 269 D C 0.634 176.892 176.300 -0.069 0.000 0.986 269 D CA 2.209 56.175 54.000 -0.057 0.000 0.829 269 D CB 0.126 40.884 40.800 -0.069 0.000 0.983 269 D HN 0.429 nan 8.370 nan 0.000 0.453 270 V N 0.515 120.378 119.914 -0.085 0.000 2.914 270 V HA 0.503 4.623 4.120 -0.000 0.000 0.314 270 V C -0.150 175.902 176.094 -0.070 0.000 1.084 270 V CA -0.961 61.282 62.300 -0.096 0.000 0.963 270 V CB 2.581 34.307 31.823 -0.161 0.000 1.025 270 V HN -0.192 nan 8.190 nan 0.000 0.432 271 V N 3.631 123.514 119.914 -0.052 0.000 2.525 271 V HA 0.465 4.585 4.120 -0.000 0.000 0.299 271 V C -0.639 175.445 176.094 -0.018 0.000 1.034 271 V CA -0.493 61.790 62.300 -0.027 0.000 0.863 271 V CB 1.652 33.468 31.823 -0.012 0.000 0.999 271 V HN 0.754 nan 8.190 nan 0.000 0.423 272 L N 6.152 127.374 121.223 -0.002 0.000 2.276 272 L HA 0.571 4.911 4.340 -0.000 0.000 0.286 272 L C -0.188 176.703 176.870 0.036 0.000 1.061 272 L CA 0.204 55.056 54.840 0.020 0.000 0.807 272 L CB 1.488 43.576 42.059 0.048 0.000 1.177 272 L HN 0.463 nan 8.230 nan 0.000 0.429 273 V N 5.123 125.058 119.914 0.035 0.000 2.304 273 V HA 0.219 4.339 4.120 -0.000 0.000 0.262 273 V C 0.811 176.937 176.094 0.053 0.000 1.061 273 V CA 0.038 62.363 62.300 0.042 0.000 0.872 273 V CB 0.647 32.489 31.823 0.032 0.000 1.077 273 V HN 0.925 nan 8.190 nan 0.000 0.480 274 S N 4.678 120.418 115.700 0.066 0.000 2.481 274 S HA 0.495 4.965 4.470 -0.000 0.000 0.243 274 S C 0.869 175.513 174.600 0.074 0.000 1.152 274 S CA 0.083 58.329 58.200 0.077 0.000 1.168 274 S CB -0.195 63.064 63.200 0.098 0.000 0.835 274 S HN 0.865 nan 8.310 nan 0.000 0.474 275 A N 0.916 123.771 122.820 0.058 0.000 2.245 275 A HA 0.642 4.962 4.320 -0.000 0.000 0.279 275 A C 1.184 178.796 177.584 0.046 0.000 1.290 275 A CA 0.166 52.232 52.037 0.048 0.000 0.819 275 A CB -1.021 17.998 19.000 0.032 0.000 1.173 275 A HN 0.678 nan 8.150 nan 0.000 0.508 276 G N -1.576 107.244 108.800 0.033 0.000 2.485 276 G HA2 0.503 4.463 3.960 -0.000 0.000 0.260 276 G HA3 0.503 4.463 3.960 -0.000 0.000 0.260 276 G C -0.049 174.867 174.900 0.027 0.000 1.459 276 G CA -0.554 44.564 45.100 0.031 0.000 1.060 276 G HN 0.740 nan 8.290 nan 0.000 0.546 277 R N -1.110 119.402 120.500 0.019 0.000 2.673 277 R HA 0.515 4.855 4.340 -0.000 0.000 0.281 277 R C -0.757 175.558 176.300 0.025 0.000 0.991 277 R CA -0.529 55.583 56.100 0.020 0.000 0.896 277 R CB 2.245 32.550 30.300 0.009 0.000 1.201 277 R HN 0.735 nan 8.270 nan 0.000 0.457 278 T N -0.607 113.974 114.554 0.045 0.000 2.932 278 T HA 0.558 4.908 4.350 -0.000 0.000 0.289 278 T C -2.439 172.313 174.700 0.087 0.000 1.039 278 T CA -2.240 59.894 62.100 0.058 0.000 1.024 278 T CB 1.971 70.879 68.868 0.067 0.000 1.090 278 T HN 0.256 nan 8.240 nan 0.000 0.496 279 P HA 0.193 nan 4.420 nan 0.000 0.271 279 P C -1.128 176.284 177.300 0.187 0.000 1.238 279 P CA -0.285 62.877 63.100 0.102 0.000 0.794 279 P CB 0.303 32.041 31.700 0.063 0.000 0.959 280 F N 0.644 120.606 119.950 0.021 0.000 2.659 280 F HA 0.313 4.840 4.527 0.000 0.000 0.342 280 F C 0.706 176.533 175.800 0.046 0.000 1.168 280 F CA -0.175 57.842 58.000 0.030 0.000 1.003 280 F CB 1.192 40.204 39.000 0.020 0.000 1.267 280 F HN 0.316 nan 8.300 nan 0.000 0.463 281 T N 0.043 114.303 114.554 -0.490 0.000 2.955 281 T HA 0.149 4.499 4.350 -0.000 0.000 0.251 281 T C 0.893 175.303 174.700 -0.483 0.000 1.002 281 T CA 0.402 62.297 62.100 -0.341 0.000 0.970 281 T CB -0.242 68.543 68.868 -0.139 0.000 1.091 281 T HN 0.506 nan 8.240 nan 0.000 0.495 282 S N 1.055 116.298 115.700 -0.762 0.000 2.952 282 S HA 0.262 4.732 4.470 -0.000 0.000 0.351 282 S C 1.813 176.284 174.600 -0.214 0.000 1.211 282 S CA 1.327 59.229 58.200 -0.496 0.000 1.002 282 S CB -0.952 61.949 63.200 -0.500 0.000 0.702 282 S HN 1.659 nan 8.310 nan 0.000 0.495 283 G N 3.351 112.123 108.800 -0.046 0.000 2.196 283 G HA2 -0.284 3.676 3.960 -0.000 0.000 0.268 283 G HA3 -0.284 3.676 3.960 -0.000 0.000 0.268 283 G C 0.236 175.205 174.900 0.115 0.000 0.975 283 G CA 0.569 45.685 45.100 0.027 0.000 0.648 283 G HN 0.896 nan 8.290 nan 0.000 0.538 284 L N 0.427 121.713 121.223 0.106 0.000 2.439 284 L HA 0.357 4.697 4.340 -0.000 0.000 0.269 284 L C 0.326 177.285 176.870 0.148 0.000 1.179 284 L CA -0.751 54.204 54.840 0.193 0.000 0.828 284 L CB 0.479 42.636 42.059 0.163 0.000 1.106 284 L HN 0.095 nan 8.230 nan 0.000 0.467 285 N N 3.682 122.506 118.700 0.207 0.000 2.421 285 N HA 0.092 4.832 4.740 -0.000 0.000 0.260 285 N C 0.344 175.963 175.510 0.181 0.000 1.173 285 N CA -0.277 52.870 53.050 0.161 0.000 0.960 285 N CB 0.658 39.257 38.487 0.187 0.000 1.273 285 N HN 0.503 nan 8.380 nan 0.000 0.497 286 L N 0.279 121.534 121.223 0.055 0.000 2.609 286 L HA 0.462 4.802 4.340 -0.000 0.000 0.230 286 L C 1.046 177.867 176.870 -0.083 0.000 1.087 286 L CA 0.529 55.343 54.840 -0.042 0.000 0.874 286 L CB -0.182 41.851 42.059 -0.043 0.000 1.114 286 L HN 0.081 nan 8.230 nan 0.000 0.488 287 D N 1.062 121.437 120.400 -0.042 0.000 2.146 287 D HA -0.089 4.551 4.640 -0.000 0.000 0.209 287 D C 1.904 178.176 176.300 -0.046 0.000 0.973 287 D CA 1.072 55.046 54.000 -0.045 0.000 0.860 287 D CB -0.008 40.777 40.800 -0.026 0.000 1.015 287 D HN 0.275 nan 8.370 nan 0.000 0.465 288 K N 0.361 120.750 120.400 -0.018 0.000 2.169 288 K HA -0.230 4.090 4.320 -0.000 0.000 0.213 288 K C 1.872 178.450 176.600 -0.037 0.000 1.050 288 K CA 2.031 58.313 56.287 -0.009 0.000 0.935 288 K CB -0.178 32.340 32.500 0.031 0.000 0.722 288 K HN 0.363 nan 8.250 nan 0.000 0.468 289 I N -4.715 115.804 120.570 -0.086 0.000 4.227 289 I HA 0.319 4.489 4.170 -0.000 0.000 0.334 289 I C 0.415 176.449 176.117 -0.138 0.000 1.341 289 I CA -0.049 61.182 61.300 -0.115 0.000 1.123 289 I CB 0.883 38.787 38.000 -0.161 0.000 1.097 289 I HN 0.064 nan 8.210 nan 0.000 0.399 290 G N 3.619 112.336 108.800 -0.139 0.000 2.261 290 G HA2 -0.119 3.841 3.960 -0.000 0.000 0.220 290 G HA3 -0.119 3.841 3.960 -0.000 0.000 0.220 290 G C -0.083 174.735 174.900 -0.136 0.000 0.572 290 G CA 0.360 45.387 45.100 -0.122 0.000 1.011 290 G HN 0.891 nan 8.290 nan 0.000 0.328 291 V N 0.066 119.881 119.914 -0.164 0.000 2.509 291 V HA 0.688 4.808 4.120 -0.000 0.000 0.284 291 V C 0.562 176.602 176.094 -0.091 0.000 1.047 291 V CA -1.212 61.002 62.300 -0.144 0.000 0.952 291 V CB 1.740 33.457 31.823 -0.176 0.000 0.988 291 V HN 0.628 nan 8.190 nan 0.000 0.469 292 E N 2.857 123.015 120.200 -0.069 0.000 2.338 292 E HA 0.458 4.808 4.350 -0.000 0.000 0.272 292 E C 0.292 176.870 176.600 -0.035 0.000 1.029 292 E CA -0.051 56.321 56.400 -0.048 0.000 0.872 292 E CB 1.221 30.896 29.700 -0.041 0.000 1.015 292 E HN 1.032 nan 8.360 nan 0.000 0.417 293 T N -0.376 114.161 114.554 -0.029 0.000 2.927 293 T HA 0.402 4.752 4.350 -0.000 0.000 0.286 293 T C -0.259 174.434 174.700 -0.011 0.000 1.040 293 T CA -1.103 60.987 62.100 -0.017 0.000 1.010 293 T CB 1.440 70.295 68.868 -0.020 0.000 1.177 293 T HN 0.448 nan 8.240 nan 0.000 0.546 294 D N -0.642 119.756 120.400 -0.004 0.000 2.595 294 D HA 0.354 4.994 4.640 -0.000 0.000 0.268 294 D C 1.127 177.425 176.300 -0.003 0.000 1.181 294 D CA -0.924 53.074 54.000 -0.003 0.000 1.085 294 D CB 0.518 41.320 40.800 0.004 0.000 1.186 294 D HN 0.532 nan 8.370 nan 0.000 0.621 295 K N -0.975 119.423 120.400 -0.002 0.000 2.074 295 K HA -0.102 4.218 4.320 -0.000 0.000 0.209 295 K C 1.854 178.453 176.600 -0.001 0.000 1.048 295 K CA 1.594 57.879 56.287 -0.003 0.000 0.926 295 K CB -0.377 32.122 32.500 -0.002 0.000 0.713 295 K HN 0.388 nan 8.250 nan 0.000 0.444 296 L N -2.034 119.190 121.223 0.002 0.000 2.046 296 L HA 0.104 4.444 4.340 -0.000 0.000 0.203 296 L C 2.019 178.892 176.870 0.005 0.000 1.111 296 L CA 1.456 56.299 54.840 0.005 0.000 0.769 296 L CB -0.443 41.621 42.059 0.009 0.000 0.914 296 L HN 0.393 nan 8.230 nan 0.000 0.448 297 G N -1.032 107.773 108.800 0.008 0.000 4.251 297 G HA2 0.018 3.978 3.960 -0.000 0.000 0.147 297 G HA3 0.018 3.978 3.960 -0.000 0.000 0.147 297 G C 0.132 175.038 174.900 0.010 0.000 1.014 297 G CA -0.598 44.504 45.100 0.005 0.000 0.831 297 G HN 0.137 nan 8.290 nan 0.000 0.539 298 R N 1.034 121.546 120.500 0.020 0.000 2.678 298 R HA 0.144 4.484 4.340 -0.000 0.000 0.264 298 R C -0.314 176.002 176.300 0.027 0.000 0.995 298 R CA 0.218 56.337 56.100 0.031 0.000 1.098 298 R CB 0.546 30.869 30.300 0.039 0.000 0.949 298 R HN 0.208 nan 8.270 nan 0.000 0.422 299 I N 3.288 123.881 120.570 0.039 0.000 2.352 299 I HA 0.095 4.265 4.170 -0.000 0.000 0.290 299 I C 0.760 176.904 176.117 0.046 0.000 1.036 299 I CA -0.590 60.730 61.300 0.033 0.000 1.336 299 I CB 0.702 38.726 38.000 0.039 0.000 1.407 299 I HN 0.313 nan 8.210 nan 0.000 0.497 300 L N 7.024 128.261 121.223 0.023 0.000 2.490 300 L HA 0.202 4.542 4.340 -0.000 0.000 0.274 300 L C 0.016 176.906 176.870 0.034 0.000 1.201 300 L CA 0.430 55.284 54.840 0.023 0.000 0.869 300 L CB 0.675 42.734 42.059 0.000 0.000 1.123 300 L HN 0.403 nan 8.230 nan 0.000 0.484 301 V N 2.769 122.706 119.914 0.039 0.000 3.188 301 V HA 0.419 4.539 4.120 -0.000 0.000 0.305 301 V C -0.778 175.308 176.094 -0.014 0.000 1.232 301 V CA -0.738 61.590 62.300 0.048 0.000 1.043 301 V CB 2.547 34.455 31.823 0.141 0.000 1.068 301 V HN 0.986 nan 8.190 nan 0.000 0.439 302 N N 1.627 120.312 118.700 -0.026 0.000 2.593 302 N HA 0.354 5.094 4.740 -0.000 0.000 0.304 302 N C 0.698 176.102 175.510 -0.176 0.000 1.296 302 N CA 0.088 53.087 53.050 -0.084 0.000 0.950 302 N CB 0.254 38.706 38.487 -0.058 0.000 1.127 302 N HN 0.648 nan 8.380 nan 0.000 0.587 303 E N -0.225 119.874 120.200 -0.168 0.000 2.049 303 E HA -0.141 4.209 4.350 -0.000 0.000 0.198 303 E C 0.903 177.408 176.600 -0.157 0.000 1.007 303 E CA 1.220 57.506 56.400 -0.191 0.000 0.809 303 E CB -0.132 29.480 29.700 -0.147 0.000 0.749 303 E HN 0.431 nan 8.360 nan 0.000 0.450 304 R N 0.029 120.428 120.500 -0.169 0.000 2.541 304 R HA 0.052 4.392 4.340 -0.000 0.000 0.245 304 R C -0.292 176.202 176.300 0.322 0.000 1.154 304 R CA -0.106 55.925 56.100 -0.115 0.000 1.179 304 R CB -0.479 29.594 30.300 -0.378 0.000 1.189 304 R HN 0.227 nan 8.270 nan 0.000 0.526 305 F N -0.319 119.735 119.950 0.172 0.000 3.100 305 F HA -0.311 4.216 4.527 0.000 0.000 0.283 305 F C 0.546 176.561 175.800 0.358 0.000 0.900 305 F CA 0.794 58.928 58.000 0.224 0.000 1.010 305 F CB -1.526 37.601 39.000 0.211 0.000 1.029 305 F HN 0.072 nan 8.300 nan 0.000 0.637 306 S N 0.172 116.094 115.700 0.371 0.000 2.525 306 S HA 0.675 5.145 4.470 -0.000 0.000 0.290 306 S C 0.448 175.043 174.600 -0.009 0.000 1.152 306 S CA 0.072 58.334 58.200 0.104 0.000 1.072 306 S CB 1.442 64.647 63.200 0.008 0.000 1.027 306 S HN 0.308 nan 8.310 nan 0.000 0.500 307 T N 2.272 116.760 114.554 -0.110 0.000 2.788 307 T HA 0.264 4.614 4.350 -0.000 0.000 0.280 307 T C 1.494 176.133 174.700 -0.101 0.000 0.984 307 T CA -0.600 61.450 62.100 -0.083 0.000 0.972 307 T CB 0.095 68.900 68.868 -0.106 0.000 1.039 307 T HN 0.735 nan 8.240 nan 0.000 0.530 308 N N 0.061 118.711 118.700 -0.084 0.000 2.192 308 N HA -0.100 4.640 4.740 -0.000 0.000 0.188 308 N C 0.573 176.028 175.510 -0.092 0.000 1.013 308 N CA 0.617 53.621 53.050 -0.077 0.000 0.863 308 N CB -0.869 37.576 38.487 -0.069 0.000 0.990 308 N HN 0.434 nan 8.380 nan 0.000 0.430 309 V N 2.039 121.882 119.914 -0.119 0.000 2.364 309 V HA 0.010 4.130 4.120 -0.000 0.000 0.252 309 V C 0.738 176.750 176.094 -0.136 0.000 1.075 309 V CA -0.382 61.844 62.300 -0.124 0.000 1.033 309 V CB 0.224 31.955 31.823 -0.153 0.000 1.116 309 V HN 0.161 nan 8.190 nan 0.000 0.488 310 S N 4.330 119.969 115.700 -0.100 0.000 2.670 310 S HA 0.341 4.810 4.470 -0.000 0.000 0.308 310 S C 1.291 175.836 174.600 -0.091 0.000 1.232 310 S CA 1.016 59.159 58.200 -0.095 0.000 1.126 310 S CB -0.391 62.782 63.200 -0.046 0.000 0.897 310 S HN 1.381 nan 8.310 nan 0.000 0.508 311 G N 3.220 111.929 108.800 -0.152 0.000 2.480 311 G HA2 -0.165 3.795 3.960 -0.000 0.000 0.193 311 G HA3 -0.165 3.795 3.960 -0.000 0.000 0.193 311 G C -0.197 174.612 174.900 -0.153 0.000 1.004 311 G CA -0.098 44.957 45.100 -0.075 0.000 0.696 311 G HN 0.839 nan 8.290 nan 0.000 0.478 312 V N 1.795 121.531 119.914 -0.297 0.000 2.483 312 V HA 0.798 4.918 4.120 -0.000 0.000 0.295 312 V C -0.231 175.594 176.094 -0.448 0.000 1.035 312 V CA -0.719 61.462 62.300 -0.197 0.000 0.896 312 V CB 1.122 32.893 31.823 -0.086 0.000 0.986 312 V HN 0.280 nan 8.190 nan 0.000 0.447 313 Y N 1.655 122.033 120.300 0.129 0.000 2.659 313 Y HA 0.884 5.434 4.550 -0.000 0.000 0.333 313 Y C 0.239 176.205 175.900 0.109 0.000 1.064 313 Y CA -1.009 57.162 58.100 0.118 0.000 1.141 313 Y CB 2.050 40.572 38.460 0.103 0.000 1.316 313 Y HN 0.724 nan 8.280 nan 0.000 0.509 314 A N 1.463 124.453 122.820 0.283 0.000 2.517 314 A HA 0.855 5.175 4.320 -0.000 0.000 0.297 314 A C -1.440 176.241 177.584 0.163 0.000 1.050 314 A CA -0.579 51.569 52.037 0.185 0.000 0.694 314 A CB 1.058 20.153 19.000 0.159 0.000 1.277 314 A HN 0.802 nan 8.150 nan 0.000 0.400 315 I N -1.025 119.572 120.570 0.046 0.000 2.918 315 I HA 0.917 5.087 4.170 -0.000 0.000 0.301 315 I C 0.285 176.389 176.117 -0.022 0.000 1.312 315 I CA -0.137 61.130 61.300 -0.056 0.000 1.007 315 I CB 2.024 39.827 38.000 -0.329 0.000 1.281 315 I HN 2.124 nan 8.210 nan 0.000 0.440 316 G N 3.640 112.430 108.800 -0.016 0.000 2.464 316 G HA2 -0.195 3.765 3.960 -0.000 0.000 0.216 316 G HA3 -0.195 3.765 3.960 -0.000 0.000 0.216 316 G C -0.306 174.579 174.900 -0.025 0.000 1.186 316 G CA 0.380 45.456 45.100 -0.039 0.000 1.010 316 G HN 0.757 nan 8.290 nan 0.000 0.585 317 D N 0.764 121.152 120.400 -0.020 0.000 2.336 317 D HA 0.233 4.873 4.640 -0.000 0.000 0.229 317 D C 2.297 178.612 176.300 0.025 0.000 1.061 317 D CA 1.077 55.069 54.000 -0.013 0.000 0.875 317 D CB 0.191 40.984 40.800 -0.012 0.000 0.904 317 D HN 0.554 nan 8.370 nan 0.000 0.525 318 V N -0.564 119.376 119.914 0.044 0.000 3.565 318 V HA 0.199 4.319 4.120 -0.000 0.000 0.260 318 V C 1.212 177.348 176.094 0.069 0.000 1.231 318 V CA -0.082 62.257 62.300 0.064 0.000 1.100 318 V CB -0.623 31.246 31.823 0.076 0.000 0.807 318 V HN 0.086 nan 8.190 nan 0.000 0.454 319 I N -2.824 117.796 120.570 0.084 0.000 2.982 319 I HA 0.706 4.876 4.170 -0.000 0.000 0.312 319 I C -2.814 173.361 176.117 0.097 0.000 1.041 319 I CA -2.824 58.543 61.300 0.112 0.000 1.053 319 I CB 1.660 39.778 38.000 0.197 0.000 1.248 319 I HN -0.162 nan 8.210 nan 0.000 0.471 320 P HA 0.293 nan 4.420 nan 0.000 0.267 320 P C -0.126 177.265 177.300 0.151 0.000 1.201 320 P CA 0.799 63.962 63.100 0.104 0.000 0.775 320 P CB 0.325 32.087 31.700 0.103 0.000 0.854 321 G N 1.605 110.461 108.800 0.092 0.000 2.357 321 G HA2 0.090 4.050 3.960 -0.000 0.000 0.643 321 G HA3 0.090 4.050 3.960 -0.000 0.000 0.643 321 G C -3.235 171.567 174.900 -0.163 0.000 1.358 321 G CA -0.973 44.119 45.100 -0.013 0.000 0.986 321 G HN 0.449 nan 8.290 nan 0.000 0.620 322 P HA 0.303 nan 4.420 nan 0.000 0.271 322 P C 0.037 177.176 177.300 -0.269 0.000 1.216 322 P CA -0.096 62.865 63.100 -0.232 0.000 0.771 322 P CB 0.669 32.226 31.700 -0.238 0.000 0.864 323 M N 3.897 123.373 119.600 -0.206 0.000 3.176 323 M HA 0.261 4.741 4.480 -0.000 0.000 0.284 323 M C -0.265 175.908 176.300 -0.213 0.000 1.392 323 M CA 0.149 55.338 55.300 -0.184 0.000 1.520 323 M CB -0.451 32.077 32.600 -0.121 0.000 1.100 323 M HN 0.248 nan 8.290 nan 0.000 0.555 324 L N -0.468 120.594 121.223 -0.268 0.000 2.333 324 L HA 0.621 4.961 4.340 -0.000 0.000 0.263 324 L C 1.124 177.857 176.870 -0.228 0.000 1.014 324 L CA -0.566 54.105 54.840 -0.281 0.000 0.820 324 L CB 1.848 43.611 42.059 -0.493 0.000 1.352 324 L HN 0.506 nan 8.230 nan 0.000 0.421 325 A N 0.277 123.049 122.820 -0.081 0.000 1.902 325 A HA -0.196 4.124 4.320 -0.000 0.000 0.217 325 A C 1.942 179.522 177.584 -0.005 0.000 1.181 325 A CA 1.831 53.858 52.037 -0.016 0.000 0.623 325 A CB -0.825 18.209 19.000 0.057 0.000 0.818 325 A HN 0.932 nan 8.150 nan 0.000 0.443 326 H N -1.236 117.796 119.070 -0.064 0.000 2.495 326 H HA 0.025 4.581 4.556 -0.000 0.000 0.287 326 H C 1.701 176.987 175.328 -0.069 0.000 1.033 326 H CA 1.274 57.287 56.048 -0.058 0.000 1.307 326 H CB -0.360 29.390 29.762 -0.020 0.000 1.401 326 H HN 0.381 nan 8.280 nan 0.000 0.555 327 K N 1.912 122.109 120.400 -0.338 0.000 2.026 327 K HA -0.061 4.259 4.320 -0.000 0.000 0.208 327 K C 2.284 178.776 176.600 -0.179 0.000 1.048 327 K CA 1.354 57.462 56.287 -0.298 0.000 0.929 327 K CB -0.444 31.779 32.500 -0.461 0.000 0.713 327 K HN 0.295 nan 8.250 nan 0.000 0.439 328 A N 1.719 124.434 122.820 -0.174 0.000 1.842 328 A HA -0.235 4.085 4.320 -0.000 0.000 0.217 328 A C 2.066 179.576 177.584 -0.123 0.000 1.206 328 A CA 2.196 54.153 52.037 -0.132 0.000 0.630 328 A CB -0.865 18.064 19.000 -0.118 0.000 0.839 328 A HN 0.561 nan 8.150 nan 0.000 0.447 329 E N -0.916 119.214 120.200 -0.115 0.000 2.068 329 E HA -0.316 4.034 4.350 -0.000 0.000 0.207 329 E C 2.095 178.638 176.600 -0.095 0.000 1.032 329 E CA 1.660 57.981 56.400 -0.131 0.000 0.839 329 E CB -0.302 29.339 29.700 -0.098 0.000 0.758 329 E HN 0.769 nan 8.360 nan 0.000 0.457 330 E N 0.396 120.576 120.200 -0.033 0.000 2.086 330 E HA -0.265 4.085 4.350 -0.000 0.000 0.200 330 E C 1.721 178.334 176.600 0.022 0.000 1.012 330 E CA 1.718 58.131 56.400 0.022 0.000 0.812 330 E CB 0.043 29.795 29.700 0.088 0.000 0.743 330 E HN 0.249 nan 8.360 nan 0.000 0.453 331 D N -0.801 119.592 120.400 -0.012 0.000 2.117 331 D HA -0.109 4.531 4.640 -0.000 0.000 0.198 331 D C 1.861 177.872 176.300 -0.482 0.000 0.982 331 D CA 1.159 55.037 54.000 -0.203 0.000 0.828 331 D CB -0.613 40.010 40.800 -0.295 0.000 0.967 331 D HN 0.345 nan 8.370 nan 0.000 0.464 332 G N 1.350 109.960 108.800 -0.316 0.000 2.514 332 G HA2 -0.269 3.691 3.960 -0.000 0.000 0.217 332 G HA3 -0.269 3.691 3.960 -0.000 0.000 0.217 332 G C 1.907 176.653 174.900 -0.257 0.000 1.198 332 G CA 1.211 46.136 45.100 -0.291 0.000 0.780 332 G HN 0.226 nan 8.290 nan 0.000 0.565 333 V N 1.710 121.515 119.914 -0.181 0.000 2.261 333 V HA -0.147 3.973 4.120 -0.000 0.000 0.246 333 V C 3.390 179.399 176.094 -0.141 0.000 1.047 333 V CA 2.210 64.427 62.300 -0.137 0.000 1.015 333 V CB -1.144 30.628 31.823 -0.086 0.000 0.642 333 V HN 0.525 nan 8.190 nan 0.000 0.446 334 A N -0.815 121.942 122.820 -0.104 0.000 1.903 334 A HA -0.371 3.949 4.320 -0.000 0.000 0.219 334 A C 2.452 179.956 177.584 -0.132 0.000 1.191 334 A CA 2.534 54.517 52.037 -0.089 0.000 0.638 334 A CB -1.385 17.703 19.000 0.147 0.000 0.823 334 A HN 0.666 nan 8.150 nan 0.000 0.451 335 C N -1.107 118.094 119.300 -0.166 0.000 2.413 335 C HA -0.067 4.393 4.460 -0.000 0.000 0.276 335 C C 2.687 177.555 174.990 -0.203 0.000 1.236 335 C CA 1.430 60.352 59.018 -0.160 0.000 1.735 335 C CB -1.432 26.036 27.740 -0.454 0.000 2.031 335 C HN 0.426 nan 8.230 nan 0.000 0.474 336 V N 0.910 120.672 119.914 -0.254 0.000 2.358 336 V HA -0.173 3.947 4.120 -0.000 0.000 0.246 336 V C 2.482 178.474 176.094 -0.170 0.000 1.047 336 V CA 2.327 64.452 62.300 -0.292 0.000 1.035 336 V CB -0.870 30.785 31.823 -0.279 0.000 0.658 336 V HN 0.594 nan 8.190 nan 0.000 0.452 337 E N -0.822 119.308 120.200 -0.118 0.000 2.097 337 E HA -0.256 4.094 4.350 -0.000 0.000 0.196 337 E C 2.137 178.748 176.600 0.019 0.000 1.000 337 E CA 1.907 58.272 56.400 -0.058 0.000 0.804 337 E CB -0.290 29.349 29.700 -0.102 0.000 0.740 337 E HN 0.720 nan 8.360 nan 0.000 0.454 338 Y N 0.843 121.119 120.300 -0.040 0.000 2.114 338 Y HA -0.229 4.321 4.550 -0.000 0.000 0.284 338 Y C 2.455 178.312 175.900 -0.071 0.000 1.143 338 Y CA 0.486 58.565 58.100 -0.036 0.000 1.135 338 Y CB -0.076 38.368 38.460 -0.027 0.000 0.980 338 Y HN 0.021 nan 8.280 nan 0.000 0.499 339 L N -0.672 120.546 121.223 -0.008 0.000 2.081 339 L HA -0.281 4.059 4.340 -0.000 0.000 0.212 339 L C 2.497 179.410 176.870 0.072 0.000 1.080 339 L CA 1.106 55.851 54.840 -0.158 0.000 0.754 339 L CB -0.663 41.101 42.059 -0.491 0.000 0.893 339 L HN 0.233 nan 8.230 nan 0.000 0.433 340 A N -0.891 122.028 122.820 0.164 0.000 2.206 340 A HA 0.223 4.543 4.320 -0.000 0.000 0.211 340 A C 1.788 179.471 177.584 0.164 0.000 1.158 340 A CA 0.922 53.147 52.037 0.313 0.000 0.761 340 A CB -0.331 18.862 19.000 0.321 0.000 0.801 340 A HN 0.569 nan 8.150 nan 0.000 0.473 341 G N -0.987 107.897 108.800 0.139 0.000 2.176 341 G HA2 -0.235 3.725 3.960 -0.000 0.000 0.232 341 G HA3 -0.235 3.725 3.960 -0.000 0.000 0.232 341 G C 0.473 175.446 174.900 0.121 0.000 0.986 341 G CA 0.537 45.708 45.100 0.118 0.000 0.643 341 G HN 0.564 nan 8.290 nan 0.000 0.522 342 K N -0.627 119.845 120.400 0.120 0.000 2.731 342 K HA 0.650 4.970 4.320 -0.000 0.000 0.284 342 K C 0.185 176.866 176.600 0.135 0.000 1.027 342 K CA -0.233 56.113 56.287 0.099 0.000 1.040 342 K CB 0.783 33.321 32.500 0.063 0.000 1.334 342 K HN 0.074 nan 8.250 nan 0.000 0.498 343 V N 0.826 120.792 119.914 0.087 0.000 2.409 343 V HA 0.326 4.446 4.120 -0.000 0.000 0.291 343 V C 0.156 176.149 176.094 -0.168 0.000 1.020 343 V CA -0.918 61.415 62.300 0.055 0.000 0.848 343 V CB 1.240 33.134 31.823 0.118 0.000 0.990 343 V HN 0.839 nan 8.190 nan 0.000 0.430 344 G N 2.272 110.583 108.800 -0.815 0.000 2.377 344 G HA2 0.581 4.540 3.960 -0.000 0.000 0.299 344 G HA3 0.581 4.540 3.960 -0.000 0.000 0.299 344 G C -1.046 173.561 174.900 -0.488 0.000 1.150 344 G CA -0.290 44.361 45.100 -0.748 0.000 0.847 344 G HN 0.771 nan 8.290 nan 0.000 0.501 345 H N -0.040 118.911 119.070 -0.198 0.000 2.727 345 H HA 0.476 5.032 4.556 -0.000 0.000 0.330 345 H C 0.341 175.659 175.328 -0.017 0.000 0.986 345 H CA -0.479 55.519 56.048 -0.084 0.000 1.251 345 H CB 1.778 31.509 29.762 -0.052 0.000 1.493 345 H HN 0.513 nan 8.280 nan 0.000 0.515 346 V N -0.199 119.758 119.914 0.072 0.000 3.229 346 V HA 0.712 4.832 4.120 -0.000 0.000 0.310 346 V C -0.383 175.724 176.094 0.020 0.000 1.206 346 V CA -0.836 61.527 62.300 0.105 0.000 1.051 346 V CB 2.414 34.315 31.823 0.129 0.000 1.183 346 V HN 0.778 nan 8.190 nan 0.000 0.466 347 D N -1.337 119.084 120.400 0.035 0.000 2.885 347 D HA 0.057 4.697 4.640 -0.000 0.000 0.146 347 D C -0.235 176.154 176.300 0.148 0.000 1.085 347 D CA -0.329 53.663 54.000 -0.014 0.000 1.587 347 D CB -0.260 40.549 40.800 0.015 0.000 1.317 347 D HN 0.719 nan 8.370 nan 0.000 0.759 348 Y N 0.143 120.438 120.300 -0.008 0.000 2.639 348 Y HA -0.075 4.475 4.550 -0.000 0.000 0.297 348 Y C 1.547 177.432 175.900 -0.024 0.000 1.151 348 Y CA 0.006 58.095 58.100 -0.018 0.000 1.335 348 Y CB 0.379 38.826 38.460 -0.021 0.000 0.994 348 Y HN 0.166 nan 8.280 nan 0.000 0.548 349 D N 0.105 120.566 120.400 0.101 0.000 2.347 349 D HA -0.045 4.595 4.640 -0.000 0.000 0.213 349 D C 1.150 177.465 176.300 0.026 0.000 0.985 349 D CA 0.973 55.002 54.000 0.049 0.000 0.879 349 D CB 0.084 40.893 40.800 0.016 0.000 0.919 349 D HN 0.355 nan 8.370 nan 0.000 0.526 350 K N -0.235 120.185 120.400 0.033 0.000 2.413 350 K HA 0.189 4.509 4.320 -0.000 0.000 0.204 350 K C -0.102 176.510 176.600 0.021 0.000 1.041 350 K CA -0.098 56.191 56.287 0.003 0.000 1.082 350 K CB 2.162 34.648 32.500 -0.023 0.000 0.871 350 K HN -0.132 nan 8.250 nan 0.000 0.535 351 V N 5.950 125.896 119.914 0.053 0.000 2.381 351 V HA 0.046 4.166 4.120 -0.000 0.000 0.257 351 V C -1.796 174.334 176.094 0.060 0.000 1.057 351 V CA -1.395 60.947 62.300 0.070 0.000 1.013 351 V CB -0.285 31.528 31.823 -0.017 0.000 1.069 351 V HN 0.175 nan 8.190 nan 0.000 0.484 352 P HA 0.101 nan 4.420 nan 0.000 0.270 352 P C 0.042 177.410 177.300 0.112 0.000 1.216 352 P CA 0.163 63.292 63.100 0.048 0.000 0.788 352 P CB 0.725 32.407 31.700 -0.031 0.000 0.883 353 G N -0.451 108.364 108.800 0.026 0.000 2.666 353 G HA2 0.557 4.517 3.960 -0.000 0.000 0.303 353 G HA3 0.557 4.517 3.960 -0.000 0.000 0.303 353 G C -1.551 173.369 174.900 0.034 0.000 1.412 353 G CA -0.468 44.675 45.100 0.071 0.000 0.979 353 G HN 0.350 nan 8.290 nan 0.000 0.507 354 V N 2.534 122.489 119.914 0.068 0.000 2.569 354 V HA 0.378 4.498 4.120 -0.000 0.000 0.301 354 V C -0.257 175.630 176.094 -0.344 0.000 1.044 354 V CA -0.801 61.353 62.300 -0.243 0.000 0.874 354 V CB 1.731 33.253 31.823 -0.502 0.000 1.002 354 V HN 0.595 nan 8.190 nan 0.000 0.424 355 V N 5.220 124.888 119.914 -0.411 0.000 2.407 355 V HA 0.291 4.410 4.120 -0.000 0.000 0.278 355 V C -0.139 175.702 176.094 -0.422 0.000 1.037 355 V CA -0.279 61.833 62.300 -0.315 0.000 0.900 355 V CB 1.209 32.760 31.823 -0.453 0.000 0.983 355 V HN 0.860 nan 8.190 nan 0.000 0.459 356 Y N 2.733 123.056 120.300 0.038 0.000 2.676 356 Y HA 0.122 4.672 4.550 0.000 0.000 0.331 356 Y C 1.746 177.649 175.900 0.004 0.000 1.128 356 Y CA -0.448 57.659 58.100 0.012 0.000 1.360 356 Y CB -0.692 37.782 38.460 0.022 0.000 1.176 356 Y HN 0.789 nan 8.280 nan 0.000 0.518 357 T N -3.493 111.118 114.554 0.096 0.000 2.681 357 T HA -0.064 4.285 4.350 -0.000 0.000 0.333 357 T C 1.495 176.209 174.700 0.024 0.000 1.049 357 T CA 0.023 62.189 62.100 0.110 0.000 1.002 357 T CB 0.531 69.562 68.868 0.271 0.000 1.161 357 T HN 0.299 nan 8.240 nan 0.000 0.519 358 N N 1.559 120.251 118.700 -0.013 0.000 2.004 358 N HA -0.009 4.731 4.740 -0.000 0.000 0.196 358 N C -2.028 173.440 175.510 -0.071 0.000 1.064 358 N CA 0.835 53.817 53.050 -0.114 0.000 0.855 358 N CB -1.717 36.707 38.487 -0.106 0.000 1.056 358 N HN 0.447 nan 8.380 nan 0.000 0.423 359 P HA 0.166 nan 4.420 nan 0.000 0.282 359 P C -0.692 176.602 177.300 -0.009 0.000 1.262 359 P CA 0.093 63.193 63.100 0.001 0.000 0.773 359 P CB 0.911 32.657 31.700 0.076 0.000 0.879 360 E N 0.966 121.103 120.200 -0.106 0.000 2.369 360 E HA 0.347 4.697 4.350 -0.000 0.000 0.255 360 E C -0.535 175.897 176.600 -0.279 0.000 1.172 360 E CA -0.650 55.632 56.400 -0.197 0.000 0.932 360 E CB 0.627 30.203 29.700 -0.207 0.000 1.040 360 E HN 0.099 nan 8.360 nan 0.000 0.454 361 V N 1.253 120.923 119.914 -0.406 0.000 2.501 361 V HA 0.352 4.472 4.120 -0.000 0.000 0.277 361 V C -0.702 175.193 176.094 -0.331 0.000 1.004 361 V CA -0.683 61.371 62.300 -0.411 0.000 0.862 361 V CB 1.213 32.613 31.823 -0.704 0.000 1.035 361 V HN 0.712 nan 8.190 nan 0.000 0.448 362 A N 3.697 126.381 122.820 -0.226 0.000 2.290 362 A HA 0.910 5.230 4.320 -0.000 0.000 0.310 362 A C 0.242 177.710 177.584 -0.193 0.000 1.202 362 A CA -0.235 51.685 52.037 -0.195 0.000 0.837 362 A CB 1.052 19.966 19.000 -0.144 0.000 1.139 362 A HN 1.085 nan 8.150 nan 0.000 0.509 363 S N 1.042 116.597 115.700 -0.242 0.000 2.538 363 S HA 0.792 5.262 4.470 -0.000 0.000 0.288 363 S C -0.946 173.450 174.600 -0.340 0.000 1.108 363 S CA -0.602 57.338 58.200 -0.433 0.000 0.971 363 S CB 1.532 64.368 63.200 -0.606 0.000 1.041 363 S HN 0.963 nan 8.310 nan 0.000 0.483 364 V N 1.681 121.384 119.914 -0.351 0.000 2.888 364 V HA 0.932 5.052 4.120 -0.000 0.000 0.309 364 V C 0.739 176.743 176.094 -0.150 0.000 1.114 364 V CA 0.473 62.655 62.300 -0.196 0.000 0.940 364 V CB 1.014 32.749 31.823 -0.147 0.000 1.021 364 V HN 1.831 nan 8.190 nan 0.000 0.426 365 G N 3.833 112.585 108.800 -0.080 0.000 2.582 365 G HA2 -0.099 3.861 3.960 -0.000 0.000 0.222 365 G HA3 -0.099 3.861 3.960 -0.000 0.000 0.222 365 G C -0.703 174.207 174.900 0.017 0.000 1.311 365 G CA -0.580 44.508 45.100 -0.018 0.000 0.915 365 G HN 0.669 nan 8.290 nan 0.000 0.528 366 K N 0.139 120.573 120.400 0.055 0.000 2.090 366 K HA 0.588 4.908 4.320 -0.000 0.000 0.250 366 K C 0.862 177.560 176.600 0.164 0.000 1.004 366 K CA 0.247 56.575 56.287 0.068 0.000 0.919 366 K CB 1.131 33.636 32.500 0.010 0.000 1.045 366 K HN 0.960 nan 8.250 nan 0.000 0.471 367 T N -2.462 112.159 114.554 0.111 0.000 2.918 367 T HA 0.075 4.425 4.350 -0.000 0.000 0.283 367 T C 1.207 175.827 174.700 -0.135 0.000 1.001 367 T CA -0.554 61.565 62.100 0.032 0.000 1.041 367 T CB 1.475 70.384 68.868 0.068 0.000 1.028 367 T HN 0.699 nan 8.240 nan 0.000 0.511 368 E N 0.689 120.743 120.200 -0.243 0.000 2.130 368 E HA -0.248 4.101 4.350 -0.000 0.000 0.196 368 E C 1.621 178.120 176.600 -0.168 0.000 0.998 368 E CA 1.748 57.991 56.400 -0.261 0.000 0.806 368 E CB -0.058 29.524 29.700 -0.197 0.000 0.738 368 E HN 0.824 nan 8.360 nan 0.000 0.459 369 E N 0.603 120.749 120.200 -0.090 0.000 2.058 369 E HA -0.248 4.102 4.350 -0.000 0.000 0.194 369 E C 2.176 178.753 176.600 -0.038 0.000 0.997 369 E CA 1.987 58.363 56.400 -0.040 0.000 0.801 369 E CB -0.158 29.533 29.700 -0.014 0.000 0.746 369 E HN 0.458 nan 8.360 nan 0.000 0.450 370 Q N 0.272 120.047 119.800 -0.040 0.000 2.050 370 Q HA -0.130 4.210 4.340 -0.000 0.000 0.202 370 Q C 2.346 178.315 176.000 -0.052 0.000 0.980 370 Q CA 1.634 57.420 55.803 -0.028 0.000 0.840 370 Q CB -0.507 28.224 28.738 -0.012 0.000 0.898 370 Q HN 0.138 nan 8.270 nan 0.000 0.424 371 V N 2.044 121.888 119.914 -0.117 0.000 2.231 371 V HA -0.349 3.771 4.120 -0.000 0.000 0.250 371 V C 2.341 178.390 176.094 -0.074 0.000 1.058 371 V CA 2.326 64.525 62.300 -0.169 0.000 1.022 371 V CB -0.749 30.786 31.823 -0.479 0.000 0.640 371 V HN 0.353 nan 8.190 nan 0.000 0.445 372 K N -0.287 120.082 120.400 -0.052 0.000 2.052 372 K HA -0.306 4.014 4.320 -0.000 0.000 0.215 372 K C 2.084 178.721 176.600 0.062 0.000 1.053 372 K CA 2.375 58.716 56.287 0.090 0.000 0.934 372 K CB -0.403 32.150 32.500 0.088 0.000 0.717 372 K HN 0.637 nan 8.250 nan 0.000 0.450 373 E N -0.213 120.004 120.200 0.027 0.000 2.171 373 E HA -0.186 4.163 4.350 -0.000 0.000 0.197 373 E C 1.709 178.326 176.600 0.028 0.000 0.997 373 E CA 1.654 58.069 56.400 0.025 0.000 0.810 373 E CB -0.286 29.422 29.700 0.014 0.000 0.738 373 E HN 0.468 nan 8.360 nan 0.000 0.467 374 T N -2.213 112.358 114.554 0.028 0.000 3.252 374 T HA 0.199 4.549 4.350 -0.000 0.000 0.250 374 T C 1.517 176.246 174.700 0.048 0.000 1.123 374 T CA 0.349 62.467 62.100 0.031 0.000 1.006 374 T CB -0.015 68.866 68.868 0.022 0.000 0.992 374 T HN 0.281 nan 8.240 nan 0.000 0.547 375 G N 0.917 109.754 108.800 0.062 0.000 2.243 375 G HA2 -0.270 3.690 3.960 -0.000 0.000 0.276 375 G HA3 -0.270 3.690 3.960 -0.000 0.000 0.276 375 G C 0.212 175.159 174.900 0.078 0.000 0.997 375 G CA 0.521 45.661 45.100 0.066 0.000 0.693 375 G HN 0.715 nan 8.290 nan 0.000 0.529 376 V N 0.486 120.461 119.914 0.103 0.000 2.583 376 V HA 0.223 4.343 4.120 -0.000 0.000 0.287 376 V C 0.867 177.061 176.094 0.167 0.000 1.051 376 V CA -0.544 61.822 62.300 0.110 0.000 1.010 376 V CB 1.561 33.442 31.823 0.097 0.000 0.988 376 V HN 0.402 nan 8.190 nan 0.000 0.478 377 E N 4.002 124.259 120.200 0.094 0.000 2.328 377 E HA 0.233 4.583 4.350 -0.000 0.000 0.265 377 E C -1.068 175.599 176.600 0.112 0.000 1.057 377 E CA 0.153 56.578 56.400 0.042 0.000 0.916 377 E CB 0.355 30.055 29.700 -0.001 0.000 0.993 377 E HN 0.654 nan 8.360 nan 0.000 0.446 378 Y N 0.925 121.232 120.300 0.011 0.000 2.630 378 Y HA 0.713 5.263 4.550 -0.000 0.000 0.337 378 Y C -0.332 175.577 175.900 0.014 0.000 1.051 378 Y CA -1.471 56.638 58.100 0.014 0.000 1.121 378 Y CB 1.211 39.678 38.460 0.011 0.000 1.299 378 Y HN 0.171 nan 8.280 nan 0.000 0.498 379 R N 0.613 121.277 120.500 0.274 0.000 2.854 379 R HA 0.813 5.153 4.340 -0.000 0.000 0.271 379 R C -1.787 174.655 176.300 0.236 0.000 0.994 379 R CA -1.213 54.980 56.100 0.155 0.000 0.945 379 R CB 2.676 33.030 30.300 0.091 0.000 1.194 379 R HN 0.617 nan 8.270 nan 0.000 0.476 380 V N 0.538 120.549 119.914 0.162 0.000 2.680 380 V HA 0.687 4.807 4.120 -0.000 0.000 0.309 380 V C 0.017 176.161 176.094 0.082 0.000 1.052 380 V CA -0.783 61.597 62.300 0.132 0.000 0.908 380 V CB 2.069 33.973 31.823 0.136 0.000 1.001 380 V HN 0.938 nan 8.190 nan 0.000 0.431 381 G N 2.627 111.471 108.800 0.073 0.000 2.452 381 G HA2 0.770 4.730 3.960 -0.000 0.000 0.324 381 G HA3 0.770 4.730 3.960 -0.000 0.000 0.324 381 G C -1.177 173.764 174.900 0.068 0.000 1.214 381 G CA -0.607 44.531 45.100 0.064 0.000 0.947 381 G HN 0.586 nan 8.290 nan 0.000 0.478 382 K N 0.210 120.659 120.400 0.082 0.000 2.527 382 K HA 0.545 4.865 4.320 -0.000 0.000 0.260 382 K C -2.207 174.499 176.600 0.178 0.000 0.937 382 K CA -0.745 55.601 56.287 0.097 0.000 0.826 382 K CB 2.885 35.422 32.500 0.061 0.000 1.359 382 K HN 0.403 nan 8.250 nan 0.000 0.434 383 F N 4.146 124.058 119.950 -0.062 0.000 2.722 383 F HA 0.285 4.812 4.527 -0.000 0.000 0.336 383 F C -2.652 173.042 175.800 -0.176 0.000 1.216 383 F CA -1.517 56.416 58.000 -0.111 0.000 1.065 383 F CB 1.746 40.659 39.000 -0.145 0.000 1.325 383 F HN 0.258 nan 8.300 nan 0.000 0.524 384 P HA 0.182 nan 4.420 nan 0.000 0.284 384 P C 0.260 177.280 177.300 -0.468 0.000 1.253 384 P CA -0.084 62.817 63.100 -0.332 0.000 0.800 384 P CB 1.001 32.538 31.700 -0.271 0.000 0.961 385 F N 0.727 120.610 119.950 -0.111 0.000 2.699 385 F HA -0.004 4.523 4.527 -0.000 0.000 0.298 385 F C 2.428 178.175 175.800 -0.088 0.000 1.154 385 F CA 0.783 58.751 58.000 -0.054 0.000 1.457 385 F CB -0.558 38.445 39.000 0.006 0.000 1.106 385 F HN 0.140 nan 8.300 nan 0.000 0.585 386 M N -0.570 119.024 119.600 -0.010 0.000 2.446 386 M HA -0.104 4.376 4.480 -0.000 0.000 0.263 386 M C 2.066 178.311 176.300 -0.092 0.000 1.066 386 M CA 1.045 56.325 55.300 -0.034 0.000 1.087 386 M CB -1.191 31.377 32.600 -0.055 0.000 1.406 386 M HN 0.186 nan 8.290 nan 0.000 0.459 387 A N -0.748 121.930 122.820 -0.237 0.000 2.343 387 A HA 0.074 4.394 4.320 -0.000 0.000 0.223 387 A C 0.889 178.463 177.584 -0.017 0.000 1.214 387 A CA -0.285 51.639 52.037 -0.189 0.000 0.900 387 A CB -0.230 18.520 19.000 -0.417 0.000 0.942 387 A HN 0.432 nan 8.150 nan 0.000 0.507 388 N N 0.857 119.558 118.700 0.002 0.000 2.438 388 N HA 0.048 4.787 4.740 -0.000 0.000 0.267 388 N C 0.724 176.257 175.510 0.039 0.000 1.222 388 N CA 0.455 53.554 53.050 0.082 0.000 0.930 388 N CB 0.882 39.446 38.487 0.128 0.000 1.083 388 N HN 0.153 nan 8.380 nan 0.000 0.476 389 S N 3.695 119.379 115.700 -0.026 0.000 2.359 389 S HA -0.213 4.257 4.470 -0.000 0.000 0.223 389 S C 1.702 176.293 174.600 -0.015 0.000 1.039 389 S CA 1.239 59.425 58.200 -0.023 0.000 1.042 389 S CB -0.169 63.001 63.200 -0.049 0.000 0.915 389 S HN 0.666 nan 8.310 nan 0.000 0.439 390 R N 1.857 122.323 120.500 -0.057 0.000 2.122 390 R HA -0.105 4.235 4.340 -0.000 0.000 0.236 390 R C 2.189 178.524 176.300 0.059 0.000 1.129 390 R CA 2.135 58.232 56.100 -0.005 0.000 0.925 390 R CB -1.344 28.956 30.300 -0.002 0.000 0.850 390 R HN 0.311 nan 8.270 nan 0.000 0.431 391 A N 1.180 124.067 122.820 0.113 0.000 1.859 391 A HA -0.296 4.024 4.320 -0.000 0.000 0.218 391 A C 2.022 179.664 177.584 0.096 0.000 1.242 391 A CA 2.550 54.667 52.037 0.134 0.000 0.661 391 A CB -0.845 18.298 19.000 0.239 0.000 0.842 391 A HN 0.358 nan 8.150 nan 0.000 0.455 392 K N -0.368 120.084 120.400 0.086 0.000 2.077 392 K HA -0.218 4.102 4.320 -0.000 0.000 0.213 392 K C 2.160 178.797 176.600 0.062 0.000 1.051 392 K CA 1.706 58.033 56.287 0.065 0.000 0.929 392 K CB -1.271 31.260 32.500 0.052 0.000 0.715 392 K HN 0.595 nan 8.250 nan 0.000 0.451 393 A N 0.732 123.588 122.820 0.060 0.000 2.076 393 A HA -0.134 4.186 4.320 -0.000 0.000 0.220 393 A C 1.965 179.598 177.584 0.083 0.000 1.160 393 A CA 1.227 53.301 52.037 0.061 0.000 0.653 393 A CB -0.256 18.776 19.000 0.054 0.000 0.801 393 A HN 0.160 nan 8.150 nan 0.000 0.455 394 I N -1.819 118.810 120.570 0.097 0.000 3.526 394 I HA 0.056 4.226 4.170 -0.000 0.000 0.294 394 I C 0.320 176.552 176.117 0.191 0.000 1.229 394 I CA 0.856 62.243 61.300 0.144 0.000 1.408 394 I CB -0.602 37.457 38.000 0.098 0.000 1.127 394 I HN 0.404 nan 8.210 nan 0.000 0.439 395 D N 2.327 122.802 120.400 0.125 0.000 2.760 395 D HA -0.254 4.386 4.640 -0.000 0.000 0.244 395 D C -0.080 176.295 176.300 0.126 0.000 1.096 395 D CA 0.391 54.460 54.000 0.114 0.000 0.716 395 D CB -1.498 39.366 40.800 0.107 0.000 1.075 395 D HN 0.375 nan 8.370 nan 0.000 0.434 396 N N -0.432 118.325 118.700 0.094 0.000 2.700 396 N HA 0.530 5.270 4.740 -0.000 0.000 0.242 396 N C -0.308 175.225 175.510 0.038 0.000 1.541 396 N CA 0.283 53.372 53.050 0.065 0.000 0.764 396 N CB 0.486 39.007 38.487 0.056 0.000 1.319 396 N HN 0.203 nan 8.380 nan 0.000 0.518 397 A N 0.454 123.311 122.820 0.061 0.000 2.574 397 A HA 0.224 4.544 4.320 -0.000 0.000 0.283 397 A C 0.531 178.173 177.584 0.096 0.000 1.270 397 A CA -0.341 51.756 52.037 0.100 0.000 0.945 397 A CB -0.066 19.001 19.000 0.112 0.000 1.127 397 A HN 0.484 nan 8.150 nan 0.000 0.522 398 E N 0.338 120.559 120.200 0.035 0.000 2.383 398 E HA 0.453 4.803 4.350 -0.000 0.000 0.264 398 E C 0.425 177.050 176.600 0.041 0.000 1.050 398 E CA 0.825 57.251 56.400 0.043 0.000 0.896 398 E CB 0.652 30.365 29.700 0.022 0.000 0.982 398 E HN 0.736 nan 8.360 nan 0.000 0.424 399 G N 1.747 110.624 108.800 0.128 0.000 2.459 399 G HA2 0.158 4.118 3.960 -0.000 0.000 0.685 399 G HA3 0.158 4.118 3.960 -0.000 0.000 0.685 399 G C -1.308 173.888 174.900 0.494 0.000 1.303 399 G CA -0.434 44.803 45.100 0.230 0.000 0.907 399 G HN 0.813 nan 8.290 nan 0.000 0.632 400 L N -2.205 119.285 121.223 0.445 0.000 2.612 400 L HA 0.863 5.203 4.340 -0.000 0.000 0.256 400 L C -0.824 176.202 176.870 0.260 0.000 0.949 400 L CA -1.419 53.590 54.840 0.281 0.000 0.867 400 L CB 1.691 43.823 42.059 0.122 0.000 1.417 400 L HN 0.802 nan 8.230 nan 0.000 0.414 401 V N 1.852 121.856 119.914 0.150 0.000 2.532 401 V HA 0.607 4.727 4.120 -0.000 0.000 0.295 401 V C -0.188 175.970 176.094 0.107 0.000 1.041 401 V CA -0.427 61.956 62.300 0.139 0.000 0.926 401 V CB 1.474 33.347 31.823 0.084 0.000 0.992 401 V HN 0.838 nan 8.190 nan 0.000 0.457 402 K N 4.686 125.149 120.400 0.104 0.000 2.615 402 K HA 0.607 4.926 4.320 -0.000 0.000 0.249 402 K C -1.760 174.887 176.600 0.078 0.000 0.977 402 K CA -0.516 55.815 56.287 0.073 0.000 0.833 402 K CB 1.512 34.035 32.500 0.039 0.000 1.208 402 K HN 0.679 nan 8.250 nan 0.000 0.443 403 I N 4.872 125.482 120.570 0.067 0.000 2.562 403 I HA 0.464 4.634 4.170 -0.000 0.000 0.301 403 I C -0.204 175.942 176.117 0.049 0.000 1.003 403 I CA -1.221 60.121 61.300 0.071 0.000 1.127 403 I CB 1.867 39.911 38.000 0.073 0.000 1.304 403 I HN 0.478 nan 8.210 nan 0.000 0.446 404 I N 4.130 124.721 120.570 0.035 0.000 2.436 404 I HA 0.654 4.824 4.170 -0.000 0.000 0.289 404 I C -0.243 175.894 176.117 0.032 0.000 1.010 404 I CA -0.329 60.973 61.300 0.004 0.000 1.098 404 I CB 1.846 39.782 38.000 -0.107 0.000 1.266 404 I HN 0.658 nan 8.210 nan 0.000 0.434 405 A N 5.289 128.158 122.820 0.081 0.000 2.469 405 A HA 0.633 4.953 4.320 -0.000 0.000 0.299 405 A C -0.769 176.891 177.584 0.127 0.000 1.098 405 A CA -0.698 51.392 52.037 0.089 0.000 0.737 405 A CB 1.242 20.300 19.000 0.097 0.000 1.312 405 A HN 0.684 nan 8.150 nan 0.000 0.414 406 E N 0.879 121.137 120.200 0.097 0.000 2.344 406 E HA 0.078 4.428 4.350 -0.000 0.000 0.270 406 E C 0.333 176.995 176.600 0.102 0.000 1.021 406 E CA -0.220 56.244 56.400 0.108 0.000 0.887 406 E CB 1.356 31.099 29.700 0.071 0.000 0.997 406 E HN 0.660 nan 8.360 nan 0.000 0.429 407 K N 2.866 123.328 120.400 0.103 0.000 2.026 407 K HA -0.253 4.067 4.320 -0.000 0.000 0.208 407 K C 1.846 178.480 176.600 0.056 0.000 1.048 407 K CA 1.705 58.034 56.287 0.069 0.000 0.929 407 K CB 0.132 32.652 32.500 0.033 0.000 0.713 407 K HN 0.354 nan 8.250 nan 0.000 0.439 408 E N 0.063 120.291 120.200 0.048 0.000 2.007 408 E HA -0.164 4.186 4.350 -0.000 0.000 0.194 408 E C 1.819 178.442 176.600 0.037 0.000 0.999 408 E CA 2.692 59.115 56.400 0.037 0.000 0.811 408 E CB -0.503 29.216 29.700 0.032 0.000 0.762 408 E HN 0.466 nan 8.360 nan 0.000 0.450 409 T N -2.810 111.766 114.554 0.038 0.000 2.937 409 T HA 0.008 4.358 4.350 -0.000 0.000 0.260 409 T C 0.883 175.599 174.700 0.028 0.000 1.051 409 T CA 1.101 63.218 62.100 0.029 0.000 1.141 409 T CB -0.166 68.718 68.868 0.027 0.000 0.879 409 T HN 0.307 nan 8.240 nan 0.000 0.459 410 D N 0.139 120.566 120.400 0.045 0.000 2.954 410 D HA -0.163 4.477 4.640 -0.000 0.000 0.200 410 D C 0.011 176.332 176.300 0.035 0.000 1.022 410 D CA 0.836 54.866 54.000 0.049 0.000 1.003 410 D CB -1.755 39.059 40.800 0.023 0.000 1.073 410 D HN 0.662 nan 8.370 nan 0.000 0.438 411 K N 0.962 121.382 120.400 0.033 0.000 2.451 411 K HA 0.215 4.535 4.320 -0.000 0.000 0.280 411 K C 0.437 177.058 176.600 0.035 0.000 1.020 411 K CA -0.189 56.115 56.287 0.028 0.000 1.008 411 K CB 0.283 32.799 32.500 0.027 0.000 0.917 411 K HN 0.263 nan 8.250 nan 0.000 0.478 412 I N 6.295 126.884 120.570 0.031 0.000 2.556 412 I HA -0.095 4.075 4.170 -0.000 0.000 0.284 412 I C 1.278 177.409 176.117 0.024 0.000 1.114 412 I CA -0.087 61.233 61.300 0.034 0.000 1.418 412 I CB 0.706 38.727 38.000 0.034 0.000 1.394 412 I HN 0.679 nan 8.210 nan 0.000 0.552 413 L N 5.186 126.421 121.223 0.020 0.000 2.200 413 L HA 0.333 4.673 4.340 -0.000 0.000 0.200 413 L C 1.044 177.928 176.870 0.023 0.000 1.072 413 L CA 0.298 55.141 54.840 0.005 0.000 0.787 413 L CB -0.228 41.812 42.059 -0.032 0.000 0.957 413 L HN 0.750 nan 8.230 nan 0.000 0.459 414 G N -0.955 107.878 108.800 0.054 0.000 2.704 414 G HA2 0.545 4.505 3.960 -0.000 0.000 0.293 414 G HA3 0.545 4.505 3.960 -0.000 0.000 0.293 414 G C -1.948 173.062 174.900 0.184 0.000 1.421 414 G CA -0.254 44.931 45.100 0.142 0.000 0.870 414 G HN -0.257 nan 8.290 nan 0.000 0.492 415 V N 1.670 121.714 119.914 0.216 0.000 2.567 415 V HA 0.430 4.550 4.120 -0.000 0.000 0.298 415 V C -1.258 174.982 176.094 0.244 0.000 1.047 415 V CA -0.854 61.577 62.300 0.217 0.000 0.880 415 V CB 1.471 33.342 31.823 0.079 0.000 1.009 415 V HN 0.836 nan 8.190 nan 0.000 0.429 416 H N 4.430 123.494 119.070 -0.011 0.000 2.492 416 H HA 0.783 5.339 4.556 -0.000 0.000 0.345 416 H C -0.483 174.845 175.328 -0.000 0.000 1.136 416 H CA -0.809 55.225 56.048 -0.023 0.000 1.202 416 H CB 1.713 31.454 29.762 -0.035 0.000 1.524 416 H HN 0.520 nan 8.280 nan 0.000 0.506 417 I N 2.560 123.178 120.570 0.080 0.000 2.582 417 I HA 0.314 4.484 4.170 -0.000 0.000 0.292 417 I C -0.634 175.490 176.117 0.013 0.000 1.066 417 I CA -0.727 60.625 61.300 0.087 0.000 1.053 417 I CB 2.248 40.309 38.000 0.102 0.000 1.241 417 I HN 0.379 nan 8.210 nan 0.000 0.421 418 M N 6.324 125.955 119.600 0.052 0.000 2.134 418 M HA 0.838 5.318 4.480 -0.000 0.000 0.310 418 M C -1.240 175.052 176.300 -0.013 0.000 0.966 418 M CA -0.007 55.282 55.300 -0.017 0.000 0.922 418 M CB 1.359 33.971 32.600 0.020 0.000 1.537 418 M HN 0.852 nan 8.290 nan 0.000 0.424 419 A N 5.302 128.058 122.820 -0.107 0.000 2.522 419 A HA 0.717 5.037 4.320 -0.000 0.000 0.294 419 A C -3.279 174.180 177.584 -0.209 0.000 1.001 419 A CA -0.994 50.905 52.037 -0.231 0.000 0.642 419 A CB 0.809 19.500 19.000 -0.516 0.000 1.326 419 A HN 0.553 nan 8.150 nan 0.000 0.435 420 P HA 0.208 nan 4.420 nan 0.000 0.272 420 P C -0.123 177.096 177.300 -0.135 0.000 1.230 420 P CA 0.525 63.530 63.100 -0.157 0.000 0.788 420 P CB 0.198 31.816 31.700 -0.136 0.000 0.949 421 N N -0.707 117.955 118.700 -0.064 0.000 2.678 421 N HA -0.239 4.501 4.740 -0.000 0.000 0.249 421 N C 1.116 176.613 175.510 -0.021 0.000 1.119 421 N CA 1.203 54.243 53.050 -0.017 0.000 0.718 421 N CB -1.731 36.749 38.487 -0.011 0.000 1.060 421 N HN 0.536 nan 8.380 nan 0.000 0.552 422 A N -0.354 122.432 122.820 -0.057 0.000 1.930 422 A HA 0.093 4.413 4.320 -0.000 0.000 0.217 422 A C 2.402 179.987 177.584 0.001 0.000 1.175 422 A CA 1.839 53.850 52.037 -0.043 0.000 0.627 422 A CB -0.765 18.177 19.000 -0.097 0.000 0.815 422 A HN 0.482 nan 8.150 nan 0.000 0.443 423 G N -0.535 108.268 108.800 0.004 0.000 2.462 423 G HA2 -0.174 3.786 3.960 -0.000 0.000 0.220 423 G HA3 -0.174 3.786 3.960 -0.000 0.000 0.220 423 G C 1.364 176.385 174.900 0.202 0.000 1.121 423 G CA 1.064 46.216 45.100 0.086 0.000 0.758 423 G HN 0.479 nan 8.290 nan 0.000 0.559 424 E N 0.387 120.671 120.200 0.140 0.000 2.086 424 E HA 0.068 4.418 4.350 -0.000 0.000 0.190 424 E C 2.708 179.417 176.600 0.182 0.000 0.975 424 E CA 0.214 56.696 56.400 0.136 0.000 0.813 424 E CB -0.385 29.354 29.700 0.065 0.000 0.768 424 E HN 0.445 nan 8.360 nan 0.000 0.457 425 L N 0.708 122.010 121.223 0.133 0.000 2.201 425 L HA -0.023 4.317 4.340 -0.000 0.000 0.212 425 L C 2.498 179.435 176.870 0.112 0.000 1.105 425 L CA 0.588 55.508 54.840 0.134 0.000 0.775 425 L CB -0.274 41.873 42.059 0.146 0.000 0.913 425 L HN 0.062 nan 8.230 nan 0.000 0.440 426 I N -0.692 119.920 120.570 0.069 0.000 2.916 426 I HA -0.260 3.910 4.170 -0.000 0.000 0.267 426 I C 2.214 178.237 176.117 -0.157 0.000 1.263 426 I CA 0.834 62.105 61.300 -0.049 0.000 1.471 426 I CB -0.006 37.912 38.000 -0.137 0.000 1.089 426 I HN 0.312 nan 8.210 nan 0.000 0.468 427 H N 0.235 119.310 119.070 0.009 0.000 2.357 427 H HA -0.196 4.360 4.556 0.000 0.000 0.301 427 H C 2.067 177.403 175.328 0.015 0.000 1.082 427 H CA 1.666 57.717 56.048 0.003 0.000 1.342 427 H CB -0.079 29.681 29.762 -0.002 0.000 1.389 427 H HN 0.342 nan 8.280 nan 0.000 0.511 428 E N 0.224 120.485 120.200 0.101 0.000 2.219 428 E HA -0.230 4.120 4.350 -0.000 0.000 0.198 428 E C 2.011 178.639 176.600 0.047 0.000 0.998 428 E CA 0.963 57.407 56.400 0.074 0.000 0.818 428 E CB -0.038 29.715 29.700 0.088 0.000 0.741 428 E HN 0.536 nan 8.360 nan 0.000 0.477 429 A N 0.481 123.312 122.820 0.017 0.000 1.943 429 A HA 0.215 4.535 4.320 -0.000 0.000 0.213 429 A C 2.281 179.844 177.584 -0.036 0.000 1.181 429 A CA 0.945 52.984 52.037 0.003 0.000 0.653 429 A CB -0.316 18.683 19.000 -0.001 0.000 0.833 429 A HN 0.353 nan 8.150 nan 0.000 0.451 430 A N 0.100 122.865 122.820 -0.093 0.000 1.902 430 A HA -0.101 4.219 4.320 -0.000 0.000 0.217 430 A C 2.126 179.664 177.584 -0.076 0.000 1.181 430 A CA 1.530 53.493 52.037 -0.123 0.000 0.623 430 A CB -0.565 18.293 19.000 -0.236 0.000 0.818 430 A HN 0.616 nan 8.150 nan 0.000 0.443 431 I N -0.739 119.817 120.570 -0.023 0.000 2.315 431 I HA -0.154 4.016 4.170 -0.000 0.000 0.248 431 I C 2.541 178.679 176.117 0.036 0.000 1.117 431 I CA 1.284 62.592 61.300 0.012 0.000 1.404 431 I CB -0.091 37.961 38.000 0.087 0.000 1.071 431 I HN 0.295 nan 8.210 nan 0.000 0.419 432 A N 0.406 123.254 122.820 0.048 0.000 2.015 432 A HA -0.175 4.144 4.320 -0.000 0.000 0.219 432 A C 2.225 179.826 177.584 0.029 0.000 1.163 432 A CA 1.552 53.630 52.037 0.069 0.000 0.646 432 A CB -0.786 18.248 19.000 0.055 0.000 0.806 432 A HN 0.573 nan 8.150 nan 0.000 0.448 433 L N -0.930 120.281 121.223 -0.020 0.000 2.313 433 L HA -0.075 4.265 4.340 -0.000 0.000 0.214 433 L C 2.396 179.209 176.870 -0.095 0.000 1.119 433 L CA 1.756 56.572 54.840 -0.039 0.000 0.809 433 L CB -0.144 41.888 42.059 -0.045 0.000 0.933 433 L HN 0.466 nan 8.230 nan 0.000 0.449 434 Q N -0.154 119.525 119.800 -0.202 0.000 2.167 434 Q HA -0.185 4.155 4.340 -0.000 0.000 0.202 434 Q C 0.590 176.292 176.000 -0.497 0.000 0.970 434 Q CA 1.781 57.334 55.803 -0.416 0.000 0.855 434 Q CB -0.312 28.015 28.738 -0.685 0.000 0.911 434 Q HN 0.693 nan 8.270 nan 0.000 0.438 435 Y N 0.913 121.211 120.300 -0.004 0.000 2.801 435 Y HA 0.227 4.776 4.550 -0.000 0.000 0.318 435 Y C -0.408 175.489 175.900 -0.004 0.000 1.073 435 Y CA -0.671 57.425 58.100 -0.006 0.000 1.360 435 Y CB 0.322 38.776 38.460 -0.010 0.000 1.220 435 Y HN 0.045 nan 8.280 nan 0.000 0.536 436 D N 0.723 121.164 120.400 0.069 0.000 2.706 436 D HA -0.213 4.427 4.640 -0.000 0.000 0.230 436 D C 0.491 176.824 176.300 0.055 0.000 1.184 436 D CA 0.971 55.000 54.000 0.048 0.000 0.628 436 D CB -0.692 40.136 40.800 0.045 0.000 1.019 436 D HN 0.485 nan 8.370 nan 0.000 0.415 437 A N 0.184 123.040 122.820 0.060 0.000 2.259 437 A HA 0.706 5.026 4.320 -0.000 0.000 0.278 437 A C 0.801 178.399 177.584 0.022 0.000 1.107 437 A CA 0.134 52.199 52.037 0.046 0.000 0.828 437 A CB 0.944 19.982 19.000 0.062 0.000 1.111 437 A HN 0.359 nan 8.150 nan 0.000 0.498 438 S N -1.008 114.692 115.700 0.000 0.000 2.600 438 S HA 0.486 4.956 4.470 -0.000 0.000 0.300 438 S C 0.843 175.425 174.600 -0.030 0.000 1.087 438 S CA 0.040 58.231 58.200 -0.016 0.000 0.965 438 S CB 1.382 64.553 63.200 -0.048 0.000 1.089 438 S HN 0.772 nan 8.310 nan 0.000 0.496 439 S N 1.263 116.959 115.700 -0.006 0.000 2.380 439 S HA -0.295 4.174 4.470 -0.000 0.000 0.229 439 S C 1.677 176.239 174.600 -0.062 0.000 1.050 439 S CA 1.982 60.201 58.200 0.031 0.000 1.100 439 S CB -0.936 62.356 63.200 0.152 0.000 0.984 439 S HN 0.927 nan 8.310 nan 0.000 0.434 440 E N 1.293 121.277 120.200 -0.361 0.000 2.086 440 E HA -0.268 4.082 4.350 -0.000 0.000 0.200 440 E C 1.534 178.003 176.600 -0.218 0.000 1.012 440 E CA 1.744 57.767 56.400 -0.630 0.000 0.812 440 E CB -0.213 28.933 29.700 -0.925 0.000 0.743 440 E HN 0.427 nan 8.360 nan 0.000 0.453 441 D N 0.494 120.810 120.400 -0.141 0.000 2.133 441 D HA -0.203 4.437 4.640 -0.000 0.000 0.195 441 D C 2.066 178.365 176.300 -0.002 0.000 0.997 441 D CA 1.357 55.323 54.000 -0.057 0.000 0.840 441 D CB -0.324 40.456 40.800 -0.033 0.000 0.947 441 D HN 0.387 nan 8.370 nan 0.000 0.452 442 I N 0.170 120.753 120.570 0.022 0.000 2.617 442 I HA -0.121 4.049 4.170 -0.000 0.000 0.256 442 I C 2.000 178.194 176.117 0.128 0.000 1.167 442 I CA 0.720 62.067 61.300 0.078 0.000 1.469 442 I CB 0.119 38.166 38.000 0.078 0.000 1.098 442 I HN -0.148 nan 8.210 nan 0.000 0.436 443 A N 0.632 123.501 122.820 0.081 0.000 2.067 443 A HA -0.129 4.191 4.320 -0.000 0.000 0.217 443 A C 2.332 179.971 177.584 0.093 0.000 1.156 443 A CA 0.762 52.853 52.037 0.090 0.000 0.683 443 A CB -0.515 18.566 19.000 0.135 0.000 0.808 443 A HN 0.430 nan 8.150 nan 0.000 0.455 444 R N -0.395 120.141 120.500 0.059 0.000 2.280 444 R HA 0.053 4.393 4.340 -0.000 0.000 0.207 444 R C -0.357 175.984 176.300 0.069 0.000 1.043 444 R CA 0.215 56.343 56.100 0.046 0.000 1.006 444 R CB -0.131 30.170 30.300 0.002 0.000 0.885 444 R HN 0.306 nan 8.270 nan 0.000 0.467 445 V N 0.975 120.956 119.914 0.112 0.000 2.530 445 V HA 0.016 4.136 4.120 -0.000 0.000 0.282 445 V C 0.344 176.548 176.094 0.183 0.000 1.048 445 V CA -0.891 61.465 62.300 0.092 0.000 0.997 445 V CB 1.091 32.927 31.823 0.022 0.000 0.987 445 V HN 0.245 nan 8.190 nan 0.000 0.477 446 C N 7.213 126.576 119.300 0.105 0.000 2.555 446 C HA 0.395 4.855 4.460 -0.000 0.000 0.385 446 C C 0.357 175.439 174.990 0.154 0.000 1.296 446 C CA -0.376 58.733 59.018 0.152 0.000 1.757 446 C CB -1.668 26.117 27.740 0.075 0.000 2.445 446 C HN 0.895 nan 8.230 nan 0.000 0.571 447 H N 3.694 122.781 119.070 0.029 0.000 2.472 447 H HA 0.561 5.117 4.556 -0.000 0.000 0.335 447 H C 0.556 175.915 175.328 0.052 0.000 1.136 447 H CA 0.334 56.403 56.048 0.033 0.000 1.264 447 H CB 1.129 30.905 29.762 0.022 0.000 1.486 447 H HN 0.917 nan 8.280 nan 0.000 0.517 448 A N 2.707 125.626 122.820 0.164 0.000 2.488 448 A HA 0.163 4.483 4.320 -0.000 0.000 0.249 448 A C -0.213 177.469 177.584 0.162 0.000 1.083 448 A CA 0.016 52.133 52.037 0.132 0.000 0.768 448 A CB -0.265 18.785 19.000 0.084 0.000 1.017 448 A HN 0.792 nan 8.150 nan 0.000 0.496 449 H N 4.058 123.163 119.070 0.058 0.000 2.469 449 H HA 0.631 5.187 4.556 -0.000 0.000 0.342 449 H C -2.615 172.736 175.328 0.039 0.000 1.115 449 H CA -1.927 54.146 56.048 0.042 0.000 1.204 449 H CB 1.870 31.649 29.762 0.028 0.000 1.492 449 H HN 0.586 nan 8.280 nan 0.000 0.499 450 P HA 0.317 nan 4.420 nan 0.000 0.296 450 P C -1.097 176.102 177.300 -0.169 0.000 1.301 450 P CA -0.456 62.295 63.100 -0.582 0.000 0.862 450 P CB 2.083 33.460 31.700 -0.539 0.000 1.046 451 T N -1.204 113.277 114.554 -0.123 0.000 2.802 451 T HA 0.305 4.654 4.350 -0.000 0.000 0.311 451 T C 1.016 175.752 174.700 0.059 0.000 1.405 451 T CA -0.826 61.278 62.100 0.006 0.000 1.016 451 T CB 0.819 69.721 68.868 0.056 0.000 1.352 451 T HN 0.074 nan 8.240 nan 0.000 0.498 452 M N 0.932 120.615 119.600 0.138 0.000 2.394 452 M HA 0.045 4.525 4.480 -0.000 0.000 0.264 452 M C 2.250 178.721 176.300 0.286 0.000 1.073 452 M CA 0.865 56.344 55.300 0.299 0.000 1.111 452 M CB -1.614 31.154 32.600 0.280 0.000 1.401 452 M HN 0.743 nan 8.290 nan 0.000 0.448 453 S N 0.843 116.656 115.700 0.189 0.000 2.399 453 S HA -0.142 4.327 4.470 -0.000 0.000 0.231 453 S C 1.704 176.374 174.600 0.117 0.000 1.022 453 S CA 1.067 59.387 58.200 0.199 0.000 0.983 453 S CB -0.243 63.099 63.200 0.237 0.000 0.803 453 S HN 0.532 nan 8.310 nan 0.000 0.480 454 E N 1.299 121.509 120.200 0.018 0.000 2.187 454 E HA -0.227 4.123 4.350 -0.000 0.000 0.199 454 E C 2.307 178.732 176.600 -0.292 0.000 1.004 454 E CA 1.064 57.354 56.400 -0.184 0.000 0.813 454 E CB -0.309 29.298 29.700 -0.156 0.000 0.736 454 E HN 0.558 nan 8.360 nan 0.000 0.468 455 A N 1.465 124.170 122.820 -0.193 0.000 1.883 455 A HA -0.216 4.104 4.320 -0.000 0.000 0.217 455 A C 2.193 179.640 177.584 -0.229 0.000 1.186 455 A CA 1.399 53.282 52.037 -0.256 0.000 0.624 455 A CB -0.681 18.010 19.000 -0.514 0.000 0.822 455 A HN 0.169 nan 8.150 nan 0.000 0.444 456 I N -0.495 120.019 120.570 -0.094 0.000 2.163 456 I HA -0.302 3.868 4.170 -0.000 0.000 0.243 456 I C 2.561 178.611 176.117 -0.112 0.000 1.085 456 I CA 2.030 63.313 61.300 -0.028 0.000 1.347 456 I CB -0.500 37.550 38.000 0.084 0.000 1.044 456 I HN 0.433 nan 8.210 nan 0.000 0.408 457 K N 1.227 121.471 120.400 -0.260 0.000 2.009 457 K HA -0.226 4.094 4.320 -0.000 0.000 0.210 457 K C 2.095 178.511 176.600 -0.306 0.000 1.049 457 K CA 1.652 57.717 56.287 -0.370 0.000 0.929 457 K CB -0.021 31.976 32.500 -0.838 0.000 0.714 457 K HN 0.223 nan 8.250 nan 0.000 0.440 458 E N 0.127 120.037 120.200 -0.484 0.000 2.110 458 E HA -0.183 4.167 4.350 -0.000 0.000 0.193 458 E C 1.959 178.333 176.600 -0.378 0.000 0.988 458 E CA 1.187 57.203 56.400 -0.640 0.000 0.804 458 E CB -0.192 28.521 29.700 -1.644 0.000 0.745 458 E HN 0.480 nan 8.360 nan 0.000 0.458 459 A N 1.430 124.111 122.820 -0.231 0.000 1.969 459 A HA -0.040 4.279 4.320 -0.000 0.000 0.218 459 A C 2.405 179.988 177.584 -0.001 0.000 1.169 459 A CA 1.715 53.733 52.037 -0.031 0.000 0.635 459 A CB -0.409 18.607 19.000 0.027 0.000 0.810 459 A HN 0.264 nan 8.150 nan 0.000 0.445 460 A N -0.143 122.673 122.820 -0.007 0.000 1.858 460 A HA -0.135 4.185 4.320 -0.000 0.000 0.216 460 A C 2.255 179.917 177.584 0.129 0.000 1.190 460 A CA 1.847 53.926 52.037 0.071 0.000 0.617 460 A CB -0.619 18.422 19.000 0.068 0.000 0.827 460 A HN 0.517 nan 8.150 nan 0.000 0.443 461 M N -0.270 119.367 119.600 0.061 0.000 2.082 461 M HA -0.213 4.267 4.480 -0.000 0.000 0.258 461 M C 2.388 178.609 176.300 -0.132 0.000 1.069 461 M CA 1.671 56.966 55.300 -0.008 0.000 1.102 461 M CB -0.565 31.988 32.600 -0.079 0.000 1.336 461 M HN 0.451 nan 8.290 nan 0.000 0.404 462 A N -0.436 122.342 122.820 -0.069 0.000 2.245 462 A HA -0.135 4.185 4.320 -0.000 0.000 0.217 462 A C 2.053 179.623 177.584 -0.023 0.000 1.171 462 A CA 1.990 54.001 52.037 -0.042 0.000 0.688 462 A CB -0.928 18.085 19.000 0.022 0.000 0.781 462 A HN 0.541 nan 8.150 nan 0.000 0.479 463 T N -1.598 112.966 114.554 0.016 0.000 2.904 463 T HA 0.032 4.382 4.350 -0.000 0.000 0.243 463 T C 1.778 176.531 174.700 0.087 0.000 1.024 463 T CA 1.510 63.657 62.100 0.078 0.000 1.158 463 T CB -0.350 68.602 68.868 0.139 0.000 0.867 463 T HN 0.815 nan 8.240 nan 0.000 0.429 464 Y N 0.846 121.155 120.300 0.015 0.000 2.436 464 Y HA 0.431 4.981 4.550 -0.000 0.000 0.288 464 Y C 1.250 177.154 175.900 0.007 0.000 1.112 464 Y CA 0.219 58.327 58.100 0.014 0.000 1.220 464 Y CB -0.231 38.237 38.460 0.013 0.000 1.073 464 Y HN 0.110 nan 8.280 nan 0.000 0.552 465 D N 0.156 119.962 120.400 -0.990 0.000 3.535 465 D HA 0.291 4.931 4.640 -0.000 0.000 0.189 465 D C -1.140 174.941 176.300 -0.364 0.000 1.133 465 D CA -0.452 53.130 54.000 -0.697 0.000 1.280 465 D CB 0.796 41.021 40.800 -0.958 0.000 1.013 465 D HN 0.036 nan 8.370 nan 0.000 0.328 466 K N -0.289 119.925 120.400 -0.310 0.000 2.513 466 K HA 0.494 4.814 4.320 -0.000 0.000 0.251 466 K C -2.769 173.751 176.600 -0.134 0.000 0.939 466 K CA -1.817 54.371 56.287 -0.165 0.000 0.793 466 K CB 1.934 34.365 32.500 -0.114 0.000 1.241 466 K HN 0.052 nan 8.250 nan 0.000 0.431 467 P HA 0.062 nan 4.420 nan 0.000 0.268 467 P C -0.022 177.245 177.300 -0.054 0.000 1.208 467 P CA -0.041 63.025 63.100 -0.057 0.000 0.777 467 P CB 0.495 32.218 31.700 0.038 0.000 0.875 468 I N 0.833 121.361 120.570 -0.070 0.000 3.928 468 I HA 0.067 4.237 4.170 -0.000 0.000 0.335 468 I C 0.249 176.139 176.117 -0.379 0.000 1.325 468 I CA 0.371 61.557 61.300 -0.190 0.000 1.107 468 I CB -0.368 37.499 38.000 -0.222 0.000 1.014 468 I HN 0.447 nan 8.210 nan 0.000 0.400 469 H N -0.457 118.666 119.070 0.089 0.000 2.904 469 H HA 0.475 5.031 4.556 -0.000 0.000 0.242 469 H C -0.654 174.838 175.328 0.273 0.000 1.193 469 H CA -0.132 56.029 56.048 0.189 0.000 0.946 469 H CB 0.889 30.805 29.762 0.258 0.000 2.135 469 H HN 0.068 nan 8.280 nan 0.000 0.652 470 I N 0.000 120.726 120.570 0.260 0.000 2.984 470 I HA 0.000 4.170 4.170 -0.000 0.000 0.288 470 I CA 0.000 61.403 61.300 0.171 0.000 1.566 470 I CB 0.000 38.123 38.000 0.206 0.000 1.214 470 I HN 0.000 nan 8.210 nan 0.000 0.494