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 1w1q_1_A DATA FIRST_RESID 40 DATA SEQUENCE ALALDGKLRT DSNATAAAST DFGNITSALP AAVLYPSSTG DLVALLSAAN DATA SEQUENCE STPGWPYTIA FRGRGHSLMG QAFAPGGVVV NMASLGDAAA PPRINVSADG DATA SEQUENCE RYVDAGGEQV WIDVLRASLA RGVAPRSWTD YLYLTVGGTL SNAGISGQAF DATA SEQUENCE RHGPQISNVL EMDVITGHGE MVTCSKQLNA DLFDAVLGGL GQFGVITRAR DATA SEQUENCE IAVEPAPARA RWVRFVYTDF AAFSADQERL TAPRXXXXXX SFGPMSYVEG DATA SEQUENCE SVFVNQSLAT DLANTGFFTD ADVARIVALA GERNATTVYS IEATLNYXXX DATA SEQUENCE XXXXAAVDQE LASVLGTLSY VEGFAFQRDV AYAAFLDRVH GEEVALNKLG DATA SEQUENCE LWRVPHPWLN MFVPRSRIAD FDRGVFKGIL QGTDIVGPLI VYPLNKSMWD DATA SEQUENCE DGMSAATPSE DVFYAVSLLF SSXXXNDLAR LQEQNRRILR FCDLAGIQYK DATA SEQUENCE TYLARHTDRS DWVRHFGAAK WNRFVEMKNK YDPKRLLSPG QDIFN 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 40 A HA 0.000 nan 4.320 nan 0.000 0.244 40 A C 0.000 177.616 177.584 0.054 0.000 1.274 40 A CA 0.000 52.069 52.037 0.054 0.000 0.836 40 A CB 0.000 19.035 19.000 0.058 0.000 0.831 41 L N 0.699 121.962 121.223 0.066 0.000 2.095 41 L HA 0.099 4.439 4.340 -0.000 0.000 0.204 41 L C 2.962 179.868 176.870 0.061 0.000 1.080 41 L CA 1.346 56.227 54.840 0.067 0.000 0.759 41 L CB -0.360 41.749 42.059 0.083 0.000 0.914 41 L HN 0.533 nan 8.230 nan 0.000 0.439 42 A N 0.072 122.928 122.820 0.059 0.000 1.908 42 A HA -0.188 4.132 4.320 -0.000 0.000 0.218 42 A C 2.268 179.873 177.584 0.035 0.000 1.181 42 A CA 1.511 53.576 52.037 0.047 0.000 0.627 42 A CB -0.766 18.260 19.000 0.043 0.000 0.818 42 A HN 0.349 nan 8.150 nan 0.000 0.445 43 L N -0.741 120.503 121.223 0.034 0.000 2.131 43 L HA -0.167 4.173 4.340 -0.000 0.000 0.210 43 L C 1.241 178.124 176.870 0.022 0.000 1.092 43 L CA 1.288 56.143 54.840 0.025 0.000 0.759 43 L CB -0.346 41.729 42.059 0.026 0.000 0.903 43 L HN 0.271 nan 8.230 nan 0.000 0.435 44 D N -0.206 120.211 120.400 0.028 0.000 2.336 44 D HA 0.086 4.726 4.640 -0.000 0.000 0.229 44 D C 1.446 177.759 176.300 0.022 0.000 1.061 44 D CA 0.859 54.875 54.000 0.025 0.000 0.875 44 D CB 0.159 40.979 40.800 0.032 0.000 0.904 44 D HN 0.331 nan 8.370 nan 0.000 0.525 45 G N 0.644 109.455 108.800 0.019 0.000 2.148 45 G HA2 -0.410 3.550 3.960 -0.000 0.000 0.254 45 G HA3 -0.410 3.550 3.960 -0.000 0.000 0.254 45 G C 1.275 176.187 174.900 0.020 0.000 0.981 45 G CA 0.668 45.770 45.100 0.004 0.000 0.670 45 G HN 0.384 nan 8.290 nan 0.000 0.528 46 K N -1.247 119.189 120.400 0.060 0.000 2.166 46 K HA 0.290 4.610 4.320 -0.000 0.000 0.201 46 K C 0.912 177.613 176.600 0.169 0.000 1.052 46 K CA 0.472 56.829 56.287 0.117 0.000 0.969 46 K CB 0.296 32.859 32.500 0.105 0.000 0.761 46 K HN 0.304 nan 8.250 nan 0.000 0.459 47 L N 2.317 123.608 121.223 0.114 0.000 2.287 47 L HA 0.203 4.542 4.340 -0.000 0.000 0.280 47 L C -0.860 176.061 176.870 0.085 0.000 1.055 47 L CA -0.149 54.754 54.840 0.104 0.000 0.863 47 L CB 0.497 42.597 42.059 0.068 0.000 1.245 47 L HN -0.089 nan 8.230 nan 0.000 0.432 48 R N 1.847 122.429 120.500 0.137 0.000 2.368 48 R HA 0.493 4.833 4.340 -0.000 0.000 0.302 48 R C 0.601 176.935 176.300 0.056 0.000 1.002 48 R CA 0.333 56.490 56.100 0.095 0.000 0.929 48 R CB 1.165 31.543 30.300 0.130 0.000 1.073 48 R HN 0.693 nan 8.270 nan 0.000 0.464 49 T N -3.163 111.403 114.554 0.020 0.000 3.043 49 T HA 0.023 4.372 4.350 -0.000 0.000 0.272 49 T C 0.267 174.967 174.700 0.000 0.000 0.990 49 T CA -0.634 61.463 62.100 -0.004 0.000 0.897 49 T CB -0.068 68.789 68.868 -0.017 0.000 1.111 49 T HN 0.629 nan 8.240 nan 0.000 0.529 50 D N 2.099 122.505 120.400 0.009 0.000 2.362 50 D HA 0.068 4.708 4.640 -0.000 0.000 0.242 50 D C 1.448 177.752 176.300 0.007 0.000 1.132 50 D CA 0.266 54.269 54.000 0.004 0.000 0.907 50 D CB 1.664 42.464 40.800 -0.001 0.000 1.195 50 D HN 0.235 nan 8.370 nan 0.000 0.429 51 S N 2.321 118.021 115.700 0.001 0.000 2.370 51 S HA -0.294 4.176 4.470 -0.000 0.000 0.226 51 S C 1.369 175.973 174.600 0.006 0.000 1.033 51 S CA 1.361 59.560 58.200 -0.002 0.000 1.011 51 S CB -0.552 62.645 63.200 -0.005 0.000 0.852 51 S HN 0.536 nan 8.310 nan 0.000 0.457 52 N N 2.620 121.328 118.700 0.013 0.000 2.120 52 N HA 0.125 4.865 4.740 -0.000 0.000 0.188 52 N C 1.982 177.523 175.510 0.051 0.000 1.024 52 N CA 1.496 54.561 53.050 0.025 0.000 0.852 52 N CB -0.814 37.685 38.487 0.019 0.000 1.003 52 N HN 0.624 nan 8.380 nan 0.000 0.424 53 A N 0.166 123.028 122.820 0.069 0.000 1.873 53 A HA -0.155 4.164 4.320 -0.000 0.000 0.215 53 A C 2.343 179.981 177.584 0.089 0.000 1.186 53 A CA 2.272 54.395 52.037 0.142 0.000 0.616 53 A CB -1.388 17.728 19.000 0.194 0.000 0.823 53 A HN 0.493 nan 8.150 nan 0.000 0.442 54 T N -1.867 112.709 114.554 0.037 0.000 2.777 54 T HA 0.055 4.405 4.350 -0.000 0.000 0.266 54 T C 1.973 176.655 174.700 -0.031 0.000 1.040 54 T CA 1.695 63.790 62.100 -0.009 0.000 1.141 54 T CB -0.663 68.188 68.868 -0.029 0.000 0.868 54 T HN 0.572 nan 8.240 nan 0.000 0.444 55 A N 2.160 124.970 122.820 -0.018 0.000 1.877 55 A HA 0.281 4.601 4.320 -0.000 0.000 0.216 55 A C 2.847 180.420 177.584 -0.017 0.000 1.186 55 A CA 2.014 54.033 52.037 -0.030 0.000 0.620 55 A CB -1.466 17.526 19.000 -0.013 0.000 0.822 55 A HN 0.782 nan 8.150 nan 0.000 0.443 56 A N -0.590 122.245 122.820 0.025 0.000 2.019 56 A HA 0.232 4.552 4.320 -0.000 0.000 0.219 56 A C 2.114 179.729 177.584 0.051 0.000 1.164 56 A CA 1.786 53.855 52.037 0.054 0.000 0.644 56 A CB -0.628 18.429 19.000 0.095 0.000 0.805 56 A HN 1.148 nan 8.150 nan 0.000 0.449 57 A N -0.205 122.627 122.820 0.020 0.000 2.379 57 A HA 0.345 4.665 4.320 -0.000 0.000 0.236 57 A C 1.784 179.331 177.584 -0.061 0.000 1.272 57 A CA 0.967 53.017 52.037 0.022 0.000 0.886 57 A CB -0.452 18.547 19.000 -0.002 0.000 0.962 57 A HN 0.819 nan 8.150 nan 0.000 0.504 58 S N -0.911 114.684 115.700 -0.175 0.000 2.523 58 S HA 0.141 4.611 4.470 -0.000 0.000 0.217 58 S C 0.752 174.944 174.600 -0.681 0.000 0.996 58 S CA 0.598 58.489 58.200 -0.515 0.000 0.921 58 S CB -0.358 62.643 63.200 -0.332 0.000 0.829 58 S HN 0.600 nan 8.310 nan 0.000 0.495 59 T N 0.281 114.763 114.554 -0.120 0.000 2.916 59 T HA 0.731 5.081 4.350 -0.000 0.000 0.292 59 T C -1.399 173.549 174.700 0.412 0.000 1.064 59 T CA -0.560 61.642 62.100 0.169 0.000 1.011 59 T CB 2.060 70.966 68.868 0.063 0.000 1.152 59 T HN 0.315 nan 8.240 nan 0.000 0.510 60 D N -0.281 120.322 120.400 0.339 0.000 2.732 60 D HA 0.330 4.970 4.640 -0.000 0.000 0.292 60 D C 0.528 176.857 176.300 0.049 0.000 1.135 60 D CA -1.254 52.843 54.000 0.162 0.000 1.071 60 D CB 0.126 40.936 40.800 0.016 0.000 1.457 60 D HN 0.374 nan 8.370 nan 0.000 0.547 61 F N 0.745 120.584 119.950 -0.185 0.000 2.161 61 F HA 0.057 4.584 4.527 -0.000 0.000 0.300 61 F C 2.109 177.777 175.800 -0.219 0.000 1.089 61 F CA 2.393 60.208 58.000 -0.309 0.000 1.282 61 F CB -0.471 38.158 39.000 -0.619 0.000 1.010 61 F HN 0.458 nan 8.300 nan 0.000 0.485 62 G N -0.115 108.540 108.800 -0.241 0.000 2.469 62 G HA2 -0.385 3.575 3.960 -0.000 0.000 0.219 62 G HA3 -0.385 3.575 3.960 -0.000 0.000 0.219 62 G C 0.956 175.673 174.900 -0.305 0.000 1.150 62 G CA 0.995 45.912 45.100 -0.304 0.000 0.763 62 G HN 0.659 nan 8.290 nan 0.000 0.561 63 N N -1.213 117.370 118.700 -0.196 0.000 2.725 63 N HA -0.176 4.564 4.740 -0.000 0.000 0.249 63 N C 0.851 176.280 175.510 -0.134 0.000 1.103 63 N CA 0.664 53.613 53.050 -0.168 0.000 0.707 63 N CB -0.747 37.571 38.487 -0.281 0.000 1.043 63 N HN 0.473 nan 8.380 nan 0.000 0.553 64 I N -1.615 118.906 120.570 -0.082 0.000 4.033 64 I HA 0.056 4.226 4.170 -0.000 0.000 0.296 64 I C 1.040 177.157 176.117 -0.000 0.000 1.210 64 I CA 0.436 61.700 61.300 -0.060 0.000 1.341 64 I CB 0.933 38.889 38.000 -0.074 0.000 1.369 64 I HN 0.155 nan 8.210 nan 0.000 0.453 65 T N 0.600 115.190 114.554 0.060 0.000 2.918 65 T HA 0.611 4.961 4.350 -0.000 0.000 0.286 65 T C -0.633 174.231 174.700 0.275 0.000 1.026 65 T CA -0.427 61.757 62.100 0.140 0.000 1.031 65 T CB 1.212 70.170 68.868 0.150 0.000 1.046 65 T HN 0.242 nan 8.240 nan 0.000 0.479 66 S N 1.374 117.166 115.700 0.153 0.000 2.546 66 S HA 0.870 5.340 4.470 -0.000 0.000 0.274 66 S C -1.148 173.311 174.600 -0.235 0.000 1.121 66 S CA -0.836 57.298 58.200 -0.109 0.000 0.887 66 S CB 1.677 64.800 63.200 -0.128 0.000 1.094 66 S HN 1.230 nan 8.310 nan 0.000 0.474 67 A N 2.358 124.790 122.820 -0.647 0.000 2.466 67 A HA 0.617 4.936 4.320 -0.000 0.000 0.284 67 A C -1.016 176.323 177.584 -0.409 0.000 1.049 67 A CA -0.648 51.169 52.037 -0.368 0.000 0.760 67 A CB 0.744 19.671 19.000 -0.121 0.000 1.274 67 A HN 0.876 nan 8.150 nan 0.000 0.412 68 L N 4.596 125.685 121.223 -0.223 0.000 2.367 68 L HA 0.360 4.700 4.340 -0.000 0.000 0.275 68 L C -1.702 175.100 176.870 -0.114 0.000 1.129 68 L CA -1.373 53.366 54.840 -0.167 0.000 0.839 68 L CB 1.151 43.146 42.059 -0.107 0.000 1.133 68 L HN 0.518 nan 8.230 nan 0.000 0.453 69 P HA 0.145 nan 4.420 nan 0.000 0.278 69 P C -0.163 177.092 177.300 -0.076 0.000 1.258 69 P CA -0.521 62.534 63.100 -0.074 0.000 0.811 69 P CB 1.380 33.034 31.700 -0.076 0.000 1.063 70 A N 1.200 123.962 122.820 -0.096 0.000 1.929 70 A HA 0.349 4.669 4.320 -0.000 0.000 0.216 70 A C 1.098 178.583 177.584 -0.165 0.000 1.176 70 A CA 1.716 53.680 52.037 -0.121 0.000 0.628 70 A CB -0.771 18.143 19.000 -0.143 0.000 0.816 70 A HN 0.779 nan 8.150 nan 0.000 0.444 71 A N -2.079 120.617 122.820 -0.207 0.000 2.609 71 A HA 0.611 4.931 4.320 -0.000 0.000 0.291 71 A C -1.408 176.116 177.584 -0.101 0.000 1.096 71 A CA -0.351 51.595 52.037 -0.152 0.000 0.684 71 A CB 1.108 19.973 19.000 -0.224 0.000 1.282 71 A HN 0.526 nan 8.150 nan 0.000 0.412 72 V N 1.127 121.026 119.914 -0.026 0.000 2.525 72 V HA 0.469 4.589 4.120 -0.000 0.000 0.299 72 V C -0.757 175.332 176.094 -0.008 0.000 1.034 72 V CA -0.407 61.861 62.300 -0.053 0.000 0.863 72 V CB 1.341 33.132 31.823 -0.054 0.000 0.999 72 V HN 0.857 nan 8.190 nan 0.000 0.423 73 L N 5.390 126.570 121.223 -0.072 0.000 2.305 73 L HA 0.481 4.821 4.340 -0.000 0.000 0.281 73 L C -0.969 175.837 176.870 -0.107 0.000 1.085 73 L CA 0.336 55.181 54.840 0.009 0.000 0.813 73 L CB 0.555 42.635 42.059 0.035 0.000 1.157 73 L HN 0.600 nan 8.230 nan 0.000 0.436 74 Y N 6.164 126.488 120.300 0.040 0.000 2.919 74 Y HA 0.371 4.921 4.550 -0.000 0.000 0.341 74 Y C -2.008 173.916 175.900 0.041 0.000 1.045 74 Y CA -2.255 55.870 58.100 0.042 0.000 1.218 74 Y CB 0.263 38.744 38.460 0.034 0.000 1.137 74 Y HN 0.528 nan 8.280 nan 0.000 0.577 75 P HA 0.040 nan 4.420 nan 0.000 0.276 75 P C 0.580 177.932 177.300 0.086 0.000 1.235 75 P CA 0.063 63.220 63.100 0.094 0.000 0.772 75 P CB 1.969 33.709 31.700 0.067 0.000 0.871 76 S N 1.629 117.373 115.700 0.072 0.000 2.478 76 S HA 0.079 4.549 4.470 -0.000 0.000 0.222 76 S C 0.769 175.391 174.600 0.038 0.000 1.008 76 S CA 0.430 58.664 58.200 0.056 0.000 0.928 76 S CB -0.408 62.821 63.200 0.049 0.000 0.781 76 S HN 0.674 nan 8.310 nan 0.000 0.518 77 S N -0.082 115.638 115.700 0.034 0.000 2.596 77 S HA 0.453 4.923 4.470 -0.000 0.000 0.270 77 S C 0.698 175.308 174.600 0.016 0.000 1.155 77 S CA -0.016 58.196 58.200 0.020 0.000 0.827 77 S CB 0.808 64.018 63.200 0.017 0.000 1.130 77 S HN 0.320 nan 8.310 nan 0.000 0.467 78 T N -1.434 113.122 114.554 0.003 0.000 2.929 78 T HA 0.054 4.404 4.350 -0.000 0.000 0.271 78 T C 2.010 176.711 174.700 0.002 0.000 1.085 78 T CA 1.568 63.665 62.100 -0.005 0.000 1.125 78 T CB -1.322 67.534 68.868 -0.020 0.000 0.874 78 T HN 1.098 nan 8.240 nan 0.000 0.494 79 G N 1.700 110.504 108.800 0.007 0.000 2.442 79 G HA2 -0.219 3.741 3.960 -0.000 0.000 0.219 79 G HA3 -0.219 3.741 3.960 -0.000 0.000 0.219 79 G C 1.341 176.253 174.900 0.020 0.000 1.141 79 G CA 0.988 46.095 45.100 0.011 0.000 0.763 79 G HN 0.490 nan 8.290 nan 0.000 0.554 80 D N 0.222 120.640 120.400 0.029 0.000 2.178 80 D HA -0.021 4.619 4.640 -0.000 0.000 0.202 80 D C 2.548 178.877 176.300 0.049 0.000 0.974 80 D CA 0.335 54.361 54.000 0.043 0.000 0.841 80 D CB -0.054 40.779 40.800 0.055 0.000 0.953 80 D HN 0.303 nan 8.370 nan 0.000 0.478 81 L N 0.340 121.588 121.223 0.042 0.000 2.131 81 L HA -0.094 4.245 4.340 -0.000 0.000 0.206 81 L C 2.459 179.349 176.870 0.034 0.000 1.087 81 L CA 0.383 55.254 54.840 0.052 0.000 0.767 81 L CB -0.036 42.044 42.059 0.035 0.000 0.917 81 L HN -0.096 nan 8.230 nan 0.000 0.441 82 V N 0.061 119.983 119.914 0.014 0.000 2.332 82 V HA -0.314 3.806 4.120 -0.000 0.000 0.248 82 V C 2.710 178.804 176.094 -0.000 0.000 1.055 82 V CA 1.821 64.123 62.300 0.003 0.000 1.038 82 V CB -0.867 30.955 31.823 -0.001 0.000 0.651 82 V HN 0.495 nan 8.190 nan 0.000 0.450 83 A N -0.164 122.663 122.820 0.011 0.000 1.902 83 A HA -0.187 4.132 4.320 -0.000 0.000 0.217 83 A C 2.163 179.747 177.584 -0.001 0.000 1.181 83 A CA 2.089 54.132 52.037 0.011 0.000 0.623 83 A CB -0.558 18.460 19.000 0.030 0.000 0.818 83 A HN 0.461 nan 8.150 nan 0.000 0.443 84 L N -0.311 120.924 121.223 0.019 0.000 2.017 84 L HA -0.081 4.259 4.340 -0.000 0.000 0.208 84 L C 2.243 179.043 176.870 -0.118 0.000 1.073 84 L CA 1.809 56.657 54.840 0.013 0.000 0.745 84 L CB -0.487 41.624 42.059 0.088 0.000 0.894 84 L HN 0.373 nan 8.230 nan 0.000 0.432 85 L N -1.230 119.951 121.223 -0.069 0.000 2.156 85 L HA -0.121 4.218 4.340 -0.000 0.000 0.208 85 L C 2.668 179.436 176.870 -0.169 0.000 1.095 85 L CA 1.205 55.977 54.840 -0.113 0.000 0.770 85 L CB -0.604 41.449 42.059 -0.009 0.000 0.914 85 L HN 0.359 nan 8.230 nan 0.000 0.439 86 S N -0.278 115.353 115.700 -0.115 0.000 2.368 86 S HA -0.124 4.346 4.470 -0.000 0.000 0.224 86 S C 2.159 176.662 174.600 -0.161 0.000 1.029 86 S CA 1.133 59.274 58.200 -0.099 0.000 0.988 86 S CB -0.023 63.150 63.200 -0.046 0.000 0.838 86 S HN 0.425 nan 8.310 nan 0.000 0.462 87 A N 1.449 124.143 122.820 -0.210 0.000 1.877 87 A HA 0.190 4.509 4.320 -0.000 0.000 0.216 87 A C 2.461 179.683 177.584 -0.604 0.000 1.186 87 A CA 1.842 53.726 52.037 -0.256 0.000 0.620 87 A CB -1.412 17.506 19.000 -0.135 0.000 0.822 87 A HN 0.728 nan 8.150 nan 0.000 0.443 88 A N 0.469 122.617 122.820 -1.120 0.000 1.908 88 A HA -0.258 4.062 4.320 -0.000 0.000 0.218 88 A C 1.954 179.113 177.584 -0.707 0.000 1.181 88 A CA 2.261 53.271 52.037 -1.711 0.000 0.627 88 A CB -0.845 17.298 19.000 -1.428 0.000 0.818 88 A HN 0.713 nan 8.150 nan 0.000 0.445 89 N N 0.153 118.615 118.700 -0.396 0.000 2.142 89 N HA -0.150 4.589 4.740 -0.000 0.000 0.186 89 N C 1.660 177.117 175.510 -0.089 0.000 1.023 89 N CA 2.283 55.227 53.050 -0.176 0.000 0.852 89 N CB -0.199 38.245 38.487 -0.072 0.000 0.998 89 N HN 0.437 nan 8.380 nan 0.000 0.424 90 S N -2.410 113.235 115.700 -0.091 0.000 2.535 90 S HA 0.143 4.613 4.470 -0.000 0.000 0.214 90 S C 0.229 174.835 174.600 0.011 0.000 0.980 90 S CA -0.351 57.834 58.200 -0.025 0.000 0.907 90 S CB -0.209 62.979 63.200 -0.019 0.000 0.790 90 S HN 0.099 nan 8.310 nan 0.000 0.510 91 T N 5.182 119.753 114.554 0.028 0.000 2.738 91 T HA 0.467 4.816 4.350 -0.000 0.000 0.298 91 T C -2.855 171.933 174.700 0.147 0.000 0.962 91 T CA -1.294 60.885 62.100 0.131 0.000 0.972 91 T CB 1.190 70.237 68.868 0.297 0.000 0.928 91 T HN 0.166 nan 8.240 nan 0.000 0.474 92 P HA 0.303 nan 4.420 nan 0.000 0.271 92 P C 0.928 178.282 177.300 0.091 0.000 1.216 92 P CA 0.325 63.474 63.100 0.083 0.000 0.771 92 P CB 0.456 32.187 31.700 0.052 0.000 0.864 93 G N 1.991 110.838 108.800 0.078 0.000 2.176 93 G HA2 -0.220 3.740 3.960 -0.000 0.000 0.252 93 G HA3 -0.220 3.740 3.960 -0.000 0.000 0.252 93 G C -0.129 174.790 174.900 0.033 0.000 1.024 93 G CA -0.555 44.566 45.100 0.035 0.000 0.755 93 G HN 0.640 nan 8.290 nan 0.000 0.507 94 W N 1.145 122.406 121.300 -0.064 0.000 2.397 94 W HA 0.326 4.986 4.660 -0.000 0.000 0.327 94 W C -1.076 175.347 176.519 -0.161 0.000 1.421 94 W CA -0.889 56.405 57.345 -0.084 0.000 1.288 94 W CB 0.820 30.262 29.460 -0.031 0.000 1.312 94 W HN 0.198 nan 8.180 nan 0.000 0.559 95 P HA -0.012 nan 4.420 nan 0.000 0.230 95 P C -0.957 175.825 177.300 -0.863 0.000 1.168 95 P CA 1.106 63.618 63.100 -0.980 0.000 0.793 95 P CB 0.188 31.059 31.700 -1.380 0.000 0.851 96 Y N 0.380 120.259 120.300 -0.702 0.000 2.335 96 Y HA 0.346 4.896 4.550 -0.000 0.000 0.338 96 Y C 1.231 177.223 175.900 0.153 0.000 0.977 96 Y CA -1.408 56.556 58.100 -0.226 0.000 1.114 96 Y CB 0.429 38.740 38.460 -0.248 0.000 1.182 96 Y HN -0.241 nan 8.280 nan 0.000 0.463 97 T N 0.931 115.629 114.554 0.240 0.000 2.856 97 T HA 0.622 4.972 4.350 -0.000 0.000 0.306 97 T C -0.240 174.544 174.700 0.140 0.000 1.062 97 T CA -0.368 61.839 62.100 0.177 0.000 1.083 97 T CB 0.584 69.512 68.868 0.099 0.000 0.984 97 T HN 0.465 nan 8.240 nan 0.000 0.542 98 I N 1.078 121.657 120.570 0.015 0.000 2.499 98 I HA 0.602 4.772 4.170 -0.000 0.000 0.288 98 I C 0.010 175.859 176.117 -0.447 0.000 1.048 98 I CA -1.107 60.097 61.300 -0.159 0.000 1.062 98 I CB 1.832 39.755 38.000 -0.130 0.000 1.238 98 I HN 0.956 nan 8.210 nan 0.000 0.426 99 A N 5.569 128.113 122.820 -0.459 0.000 2.354 99 A HA 0.893 5.213 4.320 -0.000 0.000 0.321 99 A C -1.279 175.908 177.584 -0.662 0.000 1.125 99 A CA -0.376 51.349 52.037 -0.520 0.000 0.799 99 A CB 0.802 19.709 19.000 -0.155 0.000 1.293 99 A HN 0.501 nan 8.150 nan 0.000 0.452 100 F N 0.907 120.874 119.950 0.029 0.000 2.359 100 F HA 0.441 4.968 4.527 -0.000 0.000 0.369 100 F C 0.702 176.513 175.800 0.020 0.000 1.084 100 F CA -0.413 57.596 58.000 0.014 0.000 1.096 100 F CB 1.106 40.111 39.000 0.009 0.000 1.335 100 F HN 0.612 nan 8.300 nan 0.000 0.457 101 R N 1.689 122.266 120.500 0.130 0.000 2.296 101 R HA 0.351 4.690 4.340 -0.000 0.000 0.323 101 R C 1.024 177.384 176.300 0.100 0.000 1.067 101 R CA 0.179 56.340 56.100 0.102 0.000 0.946 101 R CB 0.562 30.906 30.300 0.073 0.000 0.991 101 R HN 0.875 nan 8.270 nan 0.000 0.448 102 G N 3.215 112.076 108.800 0.102 0.000 2.648 102 G HA2 -0.086 3.874 3.960 -0.000 0.000 0.217 102 G HA3 -0.086 3.874 3.960 -0.000 0.000 0.217 102 G C 0.675 175.613 174.900 0.064 0.000 1.386 102 G CA 0.082 45.225 45.100 0.072 0.000 0.920 102 G HN 0.485 nan 8.290 nan 0.000 0.540 103 R N 0.105 120.666 120.500 0.103 0.000 2.572 103 R HA 0.250 4.590 4.340 -0.000 0.000 0.370 103 R C 1.076 177.517 176.300 0.235 0.000 1.005 103 R CA 0.182 56.384 56.100 0.169 0.000 1.146 103 R CB 0.351 30.729 30.300 0.130 0.000 1.390 103 R HN 0.675 nan 8.270 nan 0.000 0.553 104 G N 1.333 110.237 108.800 0.173 0.000 2.273 104 G HA2 -0.307 3.653 3.960 -0.000 0.000 0.280 104 G HA3 -0.307 3.653 3.960 -0.000 0.000 0.280 104 G C 0.557 175.516 174.900 0.099 0.000 1.047 104 G CA 0.392 45.572 45.100 0.134 0.000 0.869 104 G HN 0.473 nan 8.290 nan 0.000 0.502 105 H N 0.005 119.121 119.070 0.077 0.000 2.556 105 H HA 0.147 4.702 4.556 -0.000 0.000 0.268 105 H C 1.597 176.913 175.328 -0.021 0.000 0.996 105 H CA 0.885 56.934 56.048 0.003 0.000 1.157 105 H CB 0.316 30.040 29.762 -0.064 0.000 1.355 105 H HN 0.468 nan 8.280 nan 0.000 0.597 106 S N 0.400 116.125 115.700 0.041 0.000 2.559 106 S HA -0.043 4.427 4.470 -0.000 0.000 0.282 106 S C 1.671 176.237 174.600 -0.057 0.000 1.336 106 S CA -0.146 58.032 58.200 -0.036 0.000 1.037 106 S CB 0.795 63.920 63.200 -0.125 0.000 0.853 106 S HN 0.314 nan 8.310 nan 0.000 0.523 107 L N 1.207 122.386 121.223 -0.074 0.000 2.408 107 L HA 0.246 4.586 4.340 -0.000 0.000 0.215 107 L C 0.971 177.769 176.870 -0.119 0.000 1.081 107 L CA 0.666 55.450 54.840 -0.092 0.000 0.840 107 L CB 0.033 42.059 42.059 -0.055 0.000 1.002 107 L HN 0.506 nan 8.230 nan 0.000 0.468 108 M N -0.294 119.221 119.600 -0.142 0.000 3.637 108 M HA 0.324 4.804 4.480 -0.000 0.000 0.452 108 M C 0.654 176.831 176.300 -0.204 0.000 1.718 108 M CA 0.099 55.322 55.300 -0.128 0.000 0.690 108 M CB 0.541 33.090 32.600 -0.084 0.000 1.448 108 M HN 0.200 nan 8.290 nan 0.000 0.524 109 G N 0.843 109.357 108.800 -0.477 0.000 2.143 109 G HA2 -0.306 3.654 3.960 -0.000 0.000 0.249 109 G HA3 -0.306 3.654 3.960 -0.000 0.000 0.249 109 G C 0.676 175.183 174.900 -0.655 0.000 0.981 109 G CA 0.628 45.137 45.100 -0.985 0.000 0.665 109 G HN 0.463 nan 8.290 nan 0.000 0.528 110 Q N -0.241 119.334 119.800 -0.375 0.000 2.291 110 Q HA 0.351 4.691 4.340 -0.000 0.000 0.206 110 Q C 2.609 178.525 176.000 -0.140 0.000 0.976 110 Q CA 1.856 57.560 55.803 -0.164 0.000 0.875 110 Q CB -0.062 28.634 28.738 -0.070 0.000 0.927 110 Q HN 0.998 nan 8.270 nan 0.000 0.450 111 A N -0.725 121.947 122.820 -0.247 0.000 2.423 111 A HA 0.219 4.539 4.320 -0.000 0.000 0.246 111 A C -0.456 177.174 177.584 0.076 0.000 1.278 111 A CA -0.341 51.652 52.037 -0.074 0.000 0.903 111 A CB 0.192 19.180 19.000 -0.020 0.000 0.997 111 A HN 0.083 nan 8.150 nan 0.000 0.510 112 F N -0.231 119.720 119.950 0.001 0.000 2.371 112 F HA 0.600 5.126 4.527 -0.000 0.000 0.329 112 F C 0.725 176.510 175.800 -0.025 0.000 1.107 112 F CA -1.709 56.284 58.000 -0.011 0.000 1.137 112 F CB 1.290 40.291 39.000 0.000 0.000 1.214 112 F HN 0.071 nan 8.300 nan 0.000 0.536 113 A N 3.357 126.281 122.820 0.172 0.000 2.893 113 A HA 0.595 4.914 4.320 -0.000 0.000 0.333 113 A C -2.761 174.859 177.584 0.060 0.000 1.152 113 A CA -1.596 50.487 52.037 0.077 0.000 0.782 113 A CB -0.086 18.920 19.000 0.009 0.000 1.108 113 A HN 0.371 nan 8.150 nan 0.000 0.469 114 P HA 0.243 nan 4.420 nan 0.000 0.261 114 P C 1.142 178.468 177.300 0.043 0.000 1.203 114 P CA 1.808 64.933 63.100 0.043 0.000 0.767 114 P CB 0.688 32.426 31.700 0.065 0.000 0.785 115 G N 2.593 111.407 108.800 0.025 0.000 2.203 115 G HA2 -0.149 3.810 3.960 -0.000 0.000 0.263 115 G HA3 -0.149 3.810 3.960 -0.000 0.000 0.263 115 G C 0.543 175.521 174.900 0.130 0.000 1.012 115 G CA 0.075 45.209 45.100 0.056 0.000 0.749 115 G HN 0.839 nan 8.290 nan 0.000 0.512 116 G N -2.057 106.784 108.800 0.069 0.000 3.257 116 G HA2 0.723 4.683 3.960 -0.000 0.000 0.205 116 G HA3 0.723 4.683 3.960 -0.000 0.000 0.205 116 G C -0.771 174.053 174.900 -0.125 0.000 1.234 116 G CA 0.021 45.173 45.100 0.086 0.000 0.918 116 G HN 0.893 nan 8.290 nan 0.000 0.602 117 V N 0.584 120.443 119.914 -0.092 0.000 2.384 117 V HA 0.445 4.565 4.120 -0.000 0.000 0.287 117 V C -0.221 175.818 176.094 -0.093 0.000 1.020 117 V CA -0.597 61.626 62.300 -0.129 0.000 0.850 117 V CB 1.268 33.045 31.823 -0.078 0.000 0.987 117 V HN 0.416 nan 8.190 nan 0.000 0.436 118 V N 5.845 125.704 119.914 -0.092 0.000 2.465 118 V HA 0.321 4.441 4.120 -0.000 0.000 0.279 118 V C 0.125 176.158 176.094 -0.101 0.000 1.045 118 V CA -0.487 61.760 62.300 -0.088 0.000 0.938 118 V CB 1.840 33.635 31.823 -0.046 0.000 0.986 118 V HN 0.619 nan 8.190 nan 0.000 0.467 119 V N 5.058 124.927 119.914 -0.075 0.000 2.385 119 V HA 0.193 4.313 4.120 -0.000 0.000 0.269 119 V C 0.834 176.896 176.094 -0.052 0.000 1.043 119 V CA -0.486 61.803 62.300 -0.018 0.000 0.906 119 V CB 1.063 32.989 31.823 0.172 0.000 0.995 119 V HN 0.901 nan 8.190 nan 0.000 0.467 120 N N 5.840 124.415 118.700 -0.208 0.000 2.671 120 N HA 0.037 4.777 4.740 -0.000 0.000 0.274 120 N C 1.224 176.687 175.510 -0.078 0.000 1.188 120 N CA -0.440 52.474 53.050 -0.228 0.000 1.065 120 N CB 0.516 38.630 38.487 -0.623 0.000 1.415 120 N HN 0.583 nan 8.380 nan 0.000 0.511 121 M N 1.609 121.212 119.600 0.005 0.000 2.144 121 M HA -0.183 4.297 4.480 -0.000 0.000 0.260 121 M C 2.174 178.484 176.300 0.018 0.000 1.067 121 M CA 0.993 56.310 55.300 0.028 0.000 1.095 121 M CB -1.387 31.239 32.600 0.042 0.000 1.365 121 M HN 0.551 nan 8.290 nan 0.000 0.406 122 A N -0.068 122.767 122.820 0.025 0.000 1.997 122 A HA -0.171 4.148 4.320 -0.000 0.000 0.221 122 A C 2.430 180.050 177.584 0.060 0.000 1.172 122 A CA 2.172 54.234 52.037 0.041 0.000 0.645 122 A CB -0.870 18.173 19.000 0.072 0.000 0.813 122 A HN 0.528 nan 8.150 nan 0.000 0.454 123 S N -0.250 115.496 115.700 0.077 0.000 2.419 123 S HA -0.104 4.365 4.470 -0.000 0.000 0.235 123 S C 1.604 176.246 174.600 0.071 0.000 1.019 123 S CA 1.298 59.564 58.200 0.110 0.000 0.982 123 S CB -0.440 62.858 63.200 0.165 0.000 0.789 123 S HN 0.577 nan 8.310 nan 0.000 0.490 124 L N 0.514 121.763 121.223 0.043 0.000 2.265 124 L HA -0.042 4.298 4.340 -0.000 0.000 0.215 124 L C 2.186 179.065 176.870 0.016 0.000 1.117 124 L CA 0.966 55.820 54.840 0.024 0.000 0.782 124 L CB -0.497 41.564 42.059 0.003 0.000 0.914 124 L HN 0.397 nan 8.230 nan 0.000 0.441 125 G N -1.960 106.851 108.800 0.019 0.000 3.337 125 G HA2 -0.038 3.922 3.960 -0.000 0.000 0.246 125 G HA3 -0.038 3.922 3.960 -0.000 0.000 0.246 125 G C 0.677 175.592 174.900 0.026 0.000 1.131 125 G CA -0.214 44.893 45.100 0.013 0.000 0.773 125 G HN 0.137 nan 8.290 nan 0.000 0.544 126 D N 1.581 122.004 120.400 0.038 0.000 2.117 126 D HA 0.058 4.697 4.640 -0.000 0.000 0.198 126 D C 1.966 178.284 176.300 0.029 0.000 0.982 126 D CA 0.774 54.799 54.000 0.042 0.000 0.828 126 D CB -0.036 40.797 40.800 0.055 0.000 0.967 126 D HN 0.308 nan 8.370 nan 0.000 0.464 127 A N 0.231 123.065 122.820 0.024 0.000 2.462 127 A HA 0.430 4.750 4.320 -0.000 0.000 0.243 127 A C 1.432 179.023 177.584 0.012 0.000 1.076 127 A CA 0.484 52.531 52.037 0.017 0.000 0.773 127 A CB 0.617 19.626 19.000 0.015 0.000 1.010 127 A HN 0.162 nan 8.150 nan 0.000 0.493 128 A N 2.101 124.927 122.820 0.010 0.000 1.902 128 A HA 0.378 4.698 4.320 -0.000 0.000 0.217 128 A C 1.282 178.868 177.584 0.003 0.000 1.181 128 A CA 1.864 53.905 52.037 0.007 0.000 0.623 128 A CB -0.385 18.618 19.000 0.006 0.000 0.818 128 A HN 2.129 nan 8.150 nan 0.000 0.443 129 A N -0.419 122.403 122.820 0.004 0.000 2.475 129 A HA 0.656 4.976 4.320 -0.000 0.000 0.301 129 A C -2.726 174.860 177.584 0.002 0.000 1.059 129 A CA -1.415 50.622 52.037 0.001 0.000 0.710 129 A CB 0.669 19.670 19.000 0.001 0.000 1.288 129 A HN 0.215 nan 8.150 nan 0.000 0.408 130 P HA 0.465 nan 4.420 nan 0.000 0.276 130 P C -2.701 174.596 177.300 -0.005 0.000 1.244 130 P CA -1.079 62.019 63.100 -0.002 0.000 0.801 130 P CB -0.274 31.425 31.700 -0.003 0.000 1.006 131 P HA 0.103 nan 4.420 nan 0.000 0.267 131 P C 0.422 177.713 177.300 -0.015 0.000 1.200 131 P CA -0.045 63.049 63.100 -0.010 0.000 0.772 131 P CB 0.690 32.383 31.700 -0.011 0.000 0.855 132 R N 1.287 121.775 120.500 -0.021 0.000 2.334 132 R HA 0.335 4.675 4.340 -0.000 0.000 0.216 132 R C 0.353 176.627 176.300 -0.045 0.000 0.905 132 R CA 0.020 56.100 56.100 -0.033 0.000 1.064 132 R CB -0.051 30.227 30.300 -0.037 0.000 1.046 132 R HN 0.526 nan 8.270 nan 0.000 0.508 133 I N 1.722 122.270 120.570 -0.036 0.000 2.468 133 I HA 0.244 4.414 4.170 -0.000 0.000 0.285 133 I C -0.880 175.224 176.117 -0.022 0.000 1.039 133 I CA -0.671 60.606 61.300 -0.039 0.000 1.074 133 I CB 1.936 39.908 38.000 -0.046 0.000 1.228 133 I HN -0.214 nan 8.210 nan 0.000 0.436 134 N N 6.001 124.695 118.700 -0.011 0.000 2.483 134 N HA 0.320 5.060 4.740 -0.000 0.000 0.267 134 N C -0.603 174.893 175.510 -0.022 0.000 0.998 134 N CA -0.412 52.632 53.050 -0.010 0.000 0.918 134 N CB 2.679 41.170 38.487 0.007 0.000 1.215 134 N HN 0.171 nan 8.380 nan 0.000 0.500 135 V N 1.696 121.578 119.914 -0.052 0.000 2.572 135 V HA 0.063 4.183 4.120 -0.000 0.000 0.291 135 V C 1.244 177.219 176.094 -0.198 0.000 1.039 135 V CA -0.456 61.781 62.300 -0.105 0.000 1.055 135 V CB 0.696 32.474 31.823 -0.077 0.000 0.969 135 V HN 0.761 nan 8.190 nan 0.000 0.482 136 S N 4.549 119.989 115.700 -0.434 0.000 2.576 136 S HA 0.270 4.740 4.470 -0.000 0.000 0.272 136 S C 1.437 175.848 174.600 -0.315 0.000 1.352 136 S CA 0.051 57.891 58.200 -0.599 0.000 1.021 136 S CB 1.100 63.428 63.200 -1.454 0.000 0.887 136 S HN 1.124 nan 8.310 nan 0.000 0.542 137 A N 1.609 124.298 122.820 -0.219 0.000 1.940 137 A HA -0.136 4.184 4.320 -0.000 0.000 0.219 137 A C 1.773 179.287 177.584 -0.116 0.000 1.176 137 A CA 1.783 53.746 52.037 -0.123 0.000 0.631 137 A CB -1.032 17.923 19.000 -0.075 0.000 0.814 137 A HN 1.008 nan 8.150 nan 0.000 0.446 138 D N -2.135 118.180 120.400 -0.141 0.000 2.339 138 D HA 0.247 4.887 4.640 -0.000 0.000 0.217 138 D C 1.137 177.370 176.300 -0.112 0.000 1.050 138 D CA 0.869 54.809 54.000 -0.100 0.000 0.856 138 D CB -0.708 40.052 40.800 -0.065 0.000 0.922 138 D HN 0.844 nan 8.370 nan 0.000 0.518 139 G N 1.088 109.786 108.800 -0.170 0.000 2.160 139 G HA2 -0.376 3.584 3.960 -0.000 0.000 0.251 139 G HA3 -0.376 3.584 3.960 -0.000 0.000 0.251 139 G C 1.060 175.891 174.900 -0.115 0.000 1.008 139 G CA 0.341 45.358 45.100 -0.138 0.000 0.724 139 G HN 0.452 nan 8.290 nan 0.000 0.514 140 R N -1.175 119.238 120.500 -0.144 0.000 2.280 140 R HA 0.331 4.671 4.340 -0.000 0.000 0.195 140 R C 0.772 177.112 176.300 0.067 0.000 0.935 140 R CA 1.169 57.253 56.100 -0.026 0.000 1.033 140 R CB 0.259 30.578 30.300 0.032 0.000 0.964 140 R HN 0.791 nan 8.270 nan 0.000 0.489 141 Y N -4.405 115.885 120.300 -0.018 0.000 2.670 141 Y HA 0.612 5.162 4.550 -0.000 0.000 0.334 141 Y C -1.376 174.512 175.900 -0.020 0.000 1.185 141 Y CA -1.654 56.433 58.100 -0.021 0.000 1.053 141 Y CB 1.161 39.608 38.460 -0.023 0.000 1.298 141 Y HN -0.319 nan 8.280 nan 0.000 0.459 142 V N 2.062 122.119 119.914 0.239 0.000 2.577 142 V HA 0.467 4.587 4.120 -0.000 0.000 0.303 142 V C -1.487 174.715 176.094 0.180 0.000 1.042 142 V CA -0.518 61.864 62.300 0.136 0.000 0.872 142 V CB 1.561 33.408 31.823 0.040 0.000 0.998 142 V HN 0.860 nan 8.190 nan 0.000 0.423 143 D N 5.482 125.983 120.400 0.169 0.000 2.277 143 D HA 0.676 5.316 4.640 -0.000 0.000 0.249 143 D C -0.040 176.252 176.300 -0.014 0.000 1.134 143 D CA 0.444 54.491 54.000 0.078 0.000 0.863 143 D CB 1.809 42.667 40.800 0.097 0.000 1.143 143 D HN 0.880 nan 8.370 nan 0.000 0.458 144 A N 1.808 124.582 122.820 -0.077 0.000 2.393 144 A HA 0.690 5.010 4.320 -0.000 0.000 0.306 144 A C 0.468 177.970 177.584 -0.138 0.000 1.050 144 A CA -0.740 51.215 52.037 -0.137 0.000 0.724 144 A CB 1.428 20.275 19.000 -0.254 0.000 1.248 144 A HN 0.468 nan 8.150 nan 0.000 0.424 145 G N 0.548 109.276 108.800 -0.120 0.000 2.414 145 G HA2 0.386 4.346 3.960 -0.000 0.000 0.236 145 G HA3 0.386 4.346 3.960 -0.000 0.000 0.236 145 G C 1.112 175.926 174.900 -0.143 0.000 1.293 145 G CA 0.243 45.278 45.100 -0.108 0.000 0.869 145 G HN 1.435 nan 8.290 nan 0.000 0.556 146 G N 0.997 109.724 108.800 -0.123 0.000 2.450 146 G HA2 -0.208 3.752 3.960 -0.000 0.000 0.220 146 G HA3 -0.208 3.752 3.960 -0.000 0.000 0.220 146 G C 1.456 176.285 174.900 -0.118 0.000 1.130 146 G CA 1.208 46.232 45.100 -0.126 0.000 0.760 146 G HN 0.726 nan 8.290 nan 0.000 0.557 147 E N 0.477 120.618 120.200 -0.098 0.000 2.358 147 E HA -0.020 4.329 4.350 -0.000 0.000 0.195 147 E C 0.575 177.107 176.600 -0.114 0.000 1.010 147 E CA 0.130 56.483 56.400 -0.078 0.000 0.856 147 E CB -0.256 29.419 29.700 -0.042 0.000 0.795 147 E HN 0.274 nan 8.360 nan 0.000 0.504 148 Q N 1.617 121.323 119.800 -0.157 0.000 2.364 148 Q HA 0.173 4.513 4.340 -0.000 0.000 0.267 148 Q C 0.307 176.155 176.000 -0.255 0.000 0.999 148 Q CA -0.099 55.595 55.803 -0.182 0.000 0.886 148 Q CB 1.699 30.319 28.738 -0.196 0.000 1.243 148 Q HN 0.178 nan 8.270 nan 0.000 0.415 149 V N -0.726 119.065 119.914 -0.206 0.000 2.686 149 V HA 0.182 4.302 4.120 -0.000 0.000 0.295 149 V C 0.722 176.749 176.094 -0.112 0.000 1.057 149 V CA -0.712 61.468 62.300 -0.200 0.000 1.012 149 V CB 0.639 32.294 31.823 -0.281 0.000 1.006 149 V HN 0.870 nan 8.190 nan 0.000 0.477 150 W N 1.919 123.209 121.300 -0.016 0.000 2.364 150 W HA -0.093 4.566 4.660 -0.000 0.000 0.281 150 W C 2.038 178.617 176.519 0.100 0.000 1.219 150 W CA 1.338 58.740 57.345 0.095 0.000 1.220 150 W CB -0.240 29.331 29.460 0.184 0.000 1.127 150 W HN 0.664 nan 8.180 nan 0.000 0.556 151 I N 0.676 121.359 120.570 0.189 0.000 2.286 151 I HA -0.281 3.889 4.170 -0.000 0.000 0.248 151 I C 1.706 177.847 176.117 0.040 0.000 1.115 151 I CA 1.922 63.251 61.300 0.048 0.000 1.392 151 I CB -0.567 37.410 38.000 -0.039 0.000 1.065 151 I HN -0.148 nan 8.210 nan 0.000 0.418 152 D N -0.288 120.133 120.400 0.036 0.000 2.183 152 D HA -0.071 4.569 4.640 -0.000 0.000 0.203 152 D C 2.420 178.732 176.300 0.020 0.000 0.969 152 D CA 1.213 55.219 54.000 0.010 0.000 0.842 152 D CB -0.180 40.614 40.800 -0.010 0.000 0.957 152 D HN 0.277 nan 8.370 nan 0.000 0.484 153 V N 1.386 121.318 119.914 0.030 0.000 2.343 153 V HA -0.221 3.899 4.120 -0.000 0.000 0.247 153 V C 2.492 178.691 176.094 0.174 0.000 1.051 153 V CA 1.031 63.361 62.300 0.049 0.000 1.036 153 V CB -0.480 31.323 31.823 -0.033 0.000 0.654 153 V HN 0.139 nan 8.190 nan 0.000 0.451 154 L N 0.411 121.800 121.223 0.276 0.000 1.989 154 L HA -0.187 4.152 4.340 -0.000 0.000 0.211 154 L C 2.600 179.537 176.870 0.113 0.000 1.071 154 L CA 2.025 57.023 54.840 0.263 0.000 0.749 154 L CB -0.701 41.410 42.059 0.086 0.000 0.890 154 L HN 0.171 nan 8.230 nan 0.000 0.431 155 R N -0.669 119.860 120.500 0.048 0.000 2.081 155 R HA -0.116 4.224 4.340 -0.000 0.000 0.235 155 R C 2.248 178.563 176.300 0.025 0.000 1.131 155 R CA 1.360 57.469 56.100 0.015 0.000 0.960 155 R CB -0.684 29.610 30.300 -0.009 0.000 0.856 155 R HN 0.561 nan 8.270 nan 0.000 0.436 156 A N 0.393 123.230 122.820 0.028 0.000 1.933 156 A HA -0.134 4.186 4.320 -0.000 0.000 0.218 156 A C 2.186 179.786 177.584 0.028 0.000 1.175 156 A CA 1.683 53.730 52.037 0.018 0.000 0.628 156 A CB -0.339 18.665 19.000 0.006 0.000 0.814 156 A HN 0.229 nan 8.150 nan 0.000 0.444 157 S N -0.028 115.707 115.700 0.059 0.000 2.355 157 S HA -0.049 4.421 4.470 -0.000 0.000 0.222 157 S C 1.789 176.430 174.600 0.068 0.000 1.031 157 S CA 1.332 59.575 58.200 0.071 0.000 0.993 157 S CB -0.454 62.823 63.200 0.129 0.000 0.859 157 S HN 0.512 nan 8.310 nan 0.000 0.453 158 L N 1.306 122.576 121.223 0.079 0.000 2.191 158 L HA -0.114 4.225 4.340 -0.000 0.000 0.212 158 L C 2.658 179.549 176.870 0.035 0.000 1.103 158 L CA 0.990 55.870 54.840 0.066 0.000 0.769 158 L CB -0.674 41.421 42.059 0.060 0.000 0.908 158 L HN 0.320 nan 8.230 nan 0.000 0.438 159 A N -0.502 122.332 122.820 0.023 0.000 2.070 159 A HA -0.120 4.200 4.320 -0.000 0.000 0.220 159 A C 2.090 179.677 177.584 0.004 0.000 1.159 159 A CA 1.170 53.212 52.037 0.009 0.000 0.656 159 A CB -0.223 18.779 19.000 0.003 0.000 0.800 159 A HN 0.264 nan 8.150 nan 0.000 0.453 160 R N -1.478 119.026 120.500 0.006 0.000 2.468 160 R HA 0.209 4.548 4.340 -0.000 0.000 0.280 160 R C 1.045 177.345 176.300 0.000 0.000 0.963 160 R CA 0.609 56.706 56.100 -0.005 0.000 1.083 160 R CB -0.184 30.104 30.300 -0.020 0.000 1.200 160 R HN 0.721 nan 8.270 nan 0.000 0.541 161 G N 1.223 110.031 108.800 0.014 0.000 2.153 161 G HA2 -0.291 3.669 3.960 -0.000 0.000 0.252 161 G HA3 -0.291 3.669 3.960 -0.000 0.000 0.252 161 G C 0.240 175.156 174.900 0.026 0.000 0.994 161 G CA 0.620 45.730 45.100 0.017 0.000 0.698 161 G HN 0.302 nan 8.290 nan 0.000 0.521 162 V N -3.976 115.964 119.914 0.043 0.000 3.158 162 V HA 1.071 5.191 4.120 -0.000 0.000 0.311 162 V C 0.004 176.172 176.094 0.122 0.000 1.181 162 V CA -0.497 61.837 62.300 0.056 0.000 1.054 162 V CB 1.950 33.787 31.823 0.023 0.000 1.085 162 V HN 2.087 nan 8.190 nan 0.000 0.446 163 A N 1.225 124.136 122.820 0.152 0.000 2.594 163 A HA 0.897 5.217 4.320 -0.000 0.000 0.296 163 A C -3.314 174.375 177.584 0.176 0.000 1.061 163 A CA -1.426 50.777 52.037 0.277 0.000 0.689 163 A CB 1.425 20.727 19.000 0.503 0.000 1.280 163 A HN 0.723 nan 8.150 nan 0.000 0.406 164 P HA 0.107 nan 4.420 nan 0.000 0.267 164 P C 0.359 177.453 177.300 -0.343 0.000 1.195 164 P CA 0.209 63.147 63.100 -0.270 0.000 0.773 164 P CB 0.420 31.714 31.700 -0.677 0.000 0.837 165 R N -0.090 120.146 120.500 -0.440 0.000 2.237 165 R HA 0.186 4.526 4.340 -0.000 0.000 0.195 165 R C 0.577 176.607 176.300 -0.449 0.000 0.956 165 R CA 0.443 56.272 56.100 -0.453 0.000 1.029 165 R CB 0.231 30.041 30.300 -0.818 0.000 0.972 165 R HN 0.327 nan 8.270 nan 0.000 0.493 166 S N 0.062 115.366 115.700 -0.660 0.000 2.594 166 S HA 0.439 4.909 4.470 -0.000 0.000 0.296 166 S C -1.640 172.502 174.600 -0.762 0.000 1.124 166 S CA -0.827 57.079 58.200 -0.490 0.000 1.011 166 S CB 0.651 63.638 63.200 -0.356 0.000 1.016 166 S HN 0.215 nan 8.310 nan 0.000 0.485 167 W N 1.544 122.723 121.300 -0.201 0.000 2.958 167 W HA 0.601 5.261 4.660 -0.000 0.000 0.339 167 W C 0.406 176.770 176.519 -0.259 0.000 1.174 167 W CA -0.736 56.430 57.345 -0.299 0.000 1.064 167 W CB 1.020 30.382 29.460 -0.162 0.000 1.471 167 W HN 0.639 nan 8.180 nan 0.000 0.599 168 T N -2.447 112.134 114.554 0.044 0.000 2.952 168 T HA 0.234 4.584 4.350 -0.000 0.000 0.286 168 T C 0.278 175.048 174.700 0.117 0.000 1.024 168 T CA -0.627 61.520 62.100 0.078 0.000 1.029 168 T CB 1.459 70.348 68.868 0.035 0.000 1.094 168 T HN 0.298 nan 8.240 nan 0.000 0.515 169 D N -0.642 119.848 120.400 0.151 0.000 2.218 169 D HA -0.014 4.626 4.640 -0.000 0.000 0.204 169 D C -0.103 176.256 176.300 0.099 0.000 0.976 169 D CA 1.531 55.600 54.000 0.115 0.000 0.853 169 D CB -0.102 40.795 40.800 0.162 0.000 0.939 169 D HN 0.620 nan 8.370 nan 0.000 0.481 170 Y N 0.216 120.520 120.300 0.007 0.000 2.350 170 Y HA 0.305 4.854 4.550 -0.000 0.000 0.338 170 Y C 0.341 176.250 175.900 0.016 0.000 0.961 170 Y CA -0.692 57.417 58.100 0.015 0.000 1.100 170 Y CB 1.125 39.624 38.460 0.065 0.000 1.179 170 Y HN -0.293 nan 8.280 nan 0.000 0.454 171 L N 5.527 126.518 121.223 -0.386 0.000 2.529 171 L HA 0.071 4.411 4.340 -0.000 0.000 0.223 171 L C 0.144 176.936 176.870 -0.130 0.000 1.113 171 L CA 0.168 54.907 54.840 -0.168 0.000 0.861 171 L CB 0.093 42.051 42.059 -0.168 0.000 1.012 171 L HN 0.624 nan 8.230 nan 0.000 0.461 172 Y N 2.374 122.297 120.300 -0.630 0.000 2.930 172 Y HA 0.392 4.942 4.550 -0.000 0.000 0.386 172 Y C -0.256 175.630 175.900 -0.023 0.000 1.185 172 Y CA -0.353 57.578 58.100 -0.281 0.000 1.922 172 Y CB -0.570 37.741 38.460 -0.248 0.000 2.006 172 Y HN -0.049 nan 8.280 nan 0.000 0.431 173 L N 0.953 122.147 121.223 -0.049 0.000 2.371 173 L HA 0.509 4.849 4.340 -0.000 0.000 0.262 173 L C 0.245 177.180 176.870 0.108 0.000 1.006 173 L CA -1.266 53.606 54.840 0.055 0.000 0.818 173 L CB 2.293 44.471 42.059 0.199 0.000 1.354 173 L HN 0.178 nan 8.230 nan 0.000 0.415 174 T N -2.037 112.552 114.554 0.058 0.000 2.882 174 T HA 0.287 4.637 4.350 -0.000 0.000 0.287 174 T C 1.168 175.883 174.700 0.025 0.000 1.014 174 T CA -0.752 61.326 62.100 -0.036 0.000 1.049 174 T CB 1.661 70.499 68.868 -0.049 0.000 1.001 174 T HN 0.251 nan 8.240 nan 0.000 0.525 175 V N 2.797 122.528 119.914 -0.305 0.000 2.287 175 V HA -0.076 4.044 4.120 -0.000 0.000 0.248 175 V C 2.877 178.979 176.094 0.014 0.000 1.053 175 V CA 2.524 64.627 62.300 -0.329 0.000 1.027 175 V CB -1.488 29.997 31.823 -0.564 0.000 0.646 175 V HN 1.126 nan 8.190 nan 0.000 0.447 176 G N -0.489 108.293 108.800 -0.030 0.000 2.408 176 G HA2 -0.103 3.857 3.960 -0.000 0.000 0.217 176 G HA3 -0.103 3.857 3.960 -0.000 0.000 0.217 176 G C 1.586 176.537 174.900 0.085 0.000 1.150 176 G CA 0.897 46.002 45.100 0.009 0.000 0.776 176 G HN 0.596 nan 8.290 nan 0.000 0.542 177 G N 0.699 109.567 108.800 0.113 0.000 2.414 177 G HA2 -0.169 3.790 3.960 -0.000 0.000 0.215 177 G HA3 -0.169 3.790 3.960 -0.000 0.000 0.215 177 G C 2.033 177.052 174.900 0.197 0.000 1.188 177 G CA 2.255 47.445 45.100 0.149 0.000 0.783 177 G HN 0.559 nan 8.290 nan 0.000 0.537 178 T N -0.226 114.492 114.554 0.273 0.000 2.821 178 T HA 0.069 4.419 4.350 -0.000 0.000 0.267 178 T C 2.419 177.271 174.700 0.255 0.000 1.046 178 T CA 0.902 63.173 62.100 0.285 0.000 1.139 178 T CB -0.297 68.757 68.868 0.310 0.000 0.871 178 T HN 0.164 nan 8.240 nan 0.000 0.454 179 L N 1.057 122.425 121.223 0.241 0.000 2.275 179 L HA 0.049 4.389 4.340 -0.000 0.000 0.215 179 L C 2.714 179.675 176.870 0.150 0.000 1.119 179 L CA 0.785 55.724 54.840 0.165 0.000 0.790 179 L CB -0.484 41.645 42.059 0.117 0.000 0.919 179 L HN 0.304 nan 8.230 nan 0.000 0.443 180 S N -0.550 115.252 115.700 0.169 0.000 2.561 180 S HA 0.007 4.476 4.470 -0.000 0.000 0.225 180 S C 1.370 176.124 174.600 0.257 0.000 0.977 180 S CA 0.414 58.729 58.200 0.191 0.000 0.926 180 S CB -0.056 63.243 63.200 0.165 0.000 0.769 180 S HN 0.479 nan 8.310 nan 0.000 0.533 181 N N 0.111 118.984 118.700 0.288 0.000 2.905 181 N HA 0.361 5.101 4.740 -0.000 0.000 0.237 181 N C 1.103 176.948 175.510 0.560 0.000 1.017 181 N CA 0.996 54.287 53.050 0.402 0.000 1.127 181 N CB 0.441 39.106 38.487 0.298 0.000 1.608 181 N HN 0.327 nan 8.380 nan 0.000 0.522 182 A N -0.557 122.559 122.820 0.492 0.000 1.920 182 A HA 0.406 4.725 4.320 -0.000 0.000 0.204 182 A C 0.158 177.835 177.584 0.154 0.000 1.850 182 A CA 0.835 53.064 52.037 0.320 0.000 1.593 182 A CB -0.267 18.989 19.000 0.427 0.000 1.470 182 A HN 0.536 nan 8.150 nan 0.000 0.377 183 G N 0.649 109.618 108.800 0.280 0.000 2.929 183 G HA2 0.225 4.185 3.960 -0.000 0.000 0.335 183 G HA3 0.225 4.185 3.960 -0.000 0.000 0.335 183 G C -0.357 174.580 174.900 0.062 0.000 1.054 183 G CA 0.141 45.317 45.100 0.126 0.000 1.067 183 G HN 1.949 nan 8.290 nan 0.000 0.472 184 I N -1.081 119.607 120.570 0.197 0.000 2.569 184 I HA 0.974 5.144 4.170 -0.000 0.000 0.296 184 I C 0.006 176.274 176.117 0.252 0.000 1.028 184 I CA -0.892 60.539 61.300 0.219 0.000 1.082 184 I CB 2.393 40.604 38.000 0.351 0.000 1.264 184 I HN 0.523 nan 8.210 nan 0.000 0.429 185 S N 2.366 118.192 115.700 0.210 0.000 2.800 185 S HA 0.567 5.037 4.470 -0.000 0.000 0.293 185 S C 0.725 175.259 174.600 -0.111 0.000 1.209 185 S CA -0.019 58.261 58.200 0.133 0.000 0.884 185 S CB 0.862 64.180 63.200 0.197 0.000 1.244 185 S HN 1.006 nan 8.310 nan 0.000 0.540 186 G N 0.251 108.807 108.800 -0.407 0.000 2.625 186 G HA2 -0.005 3.955 3.960 -0.000 0.000 0.214 186 G HA3 -0.005 3.955 3.960 -0.000 0.000 0.214 186 G C 0.652 175.471 174.900 -0.136 0.000 1.132 186 G CA 0.643 45.246 45.100 -0.829 0.000 0.782 186 G HN 0.546 nan 8.290 nan 0.000 0.538 187 Q N 0.101 119.933 119.800 0.055 0.000 2.408 187 Q HA 0.415 4.755 4.340 -0.000 0.000 0.205 187 Q C 2.537 178.404 176.000 -0.221 0.000 0.919 187 Q CA 0.689 56.489 55.803 -0.004 0.000 0.932 187 Q CB 0.062 28.897 28.738 0.161 0.000 1.058 187 Q HN 0.347 nan 8.270 nan 0.000 0.517 188 A N 0.726 123.495 122.820 -0.085 0.000 2.019 188 A HA -0.153 4.167 4.320 -0.000 0.000 0.219 188 A C 1.799 179.277 177.584 -0.176 0.000 1.164 188 A CA 1.155 53.124 52.037 -0.113 0.000 0.644 188 A CB -0.930 18.087 19.000 0.028 0.000 0.805 188 A HN 0.581 nan 8.150 nan 0.000 0.449 189 F N 1.397 121.229 119.950 -0.197 0.000 2.202 189 F HA -0.198 4.329 4.527 -0.000 0.000 0.301 189 F C 1.968 177.383 175.800 -0.642 0.000 1.082 189 F CA 1.561 59.378 58.000 -0.305 0.000 1.313 189 F CB -0.333 38.499 39.000 -0.279 0.000 1.024 189 F HN 0.325 nan 8.300 nan 0.000 0.495 190 R N -1.584 117.899 120.500 -1.695 0.000 2.316 190 R HA 0.169 4.509 4.340 -0.000 0.000 0.201 190 R C 1.023 176.645 176.300 -1.130 0.000 0.888 190 R CA 0.425 55.321 56.100 -2.007 0.000 1.041 190 R CB -0.583 28.354 30.300 -2.272 0.000 1.115 190 R HN 0.320 nan 8.270 nan 0.000 0.559 191 H N 0.471 119.187 119.070 -0.591 0.000 2.986 191 H HA 0.308 4.864 4.556 -0.000 0.000 0.267 191 H C 0.611 175.760 175.328 -0.298 0.000 1.072 191 H CA 0.697 56.538 56.048 -0.345 0.000 1.202 191 H CB 1.288 30.872 29.762 -0.296 0.000 1.535 191 H HN 0.455 nan 8.280 nan 0.000 0.522 192 G N 2.206 110.855 108.800 -0.251 0.000 2.829 192 G HA2 -0.199 3.760 3.960 -0.000 0.000 0.628 192 G HA3 -0.199 3.760 3.960 -0.000 0.000 0.628 192 G C -2.679 171.965 174.900 -0.427 0.000 1.412 192 G CA -0.591 44.285 45.100 -0.373 0.000 0.864 192 G HN 0.066 nan 8.290 nan 0.000 0.544 193 P HA 0.148 nan 4.420 nan 0.000 0.275 193 P C 0.796 177.864 177.300 -0.388 0.000 1.270 193 P CA 0.006 62.767 63.100 -0.566 0.000 0.791 193 P CB 0.422 31.537 31.700 -0.976 0.000 1.089 194 Q N -0.126 119.502 119.800 -0.286 0.000 2.181 194 Q HA -0.132 4.207 4.340 -0.000 0.000 0.205 194 Q C 1.936 177.854 176.000 -0.138 0.000 0.980 194 Q CA 1.501 57.168 55.803 -0.226 0.000 0.862 194 Q CB -0.709 27.888 28.738 -0.235 0.000 0.905 194 Q HN 0.539 nan 8.270 nan 0.000 0.429 195 I N -2.588 117.890 120.570 -0.154 0.000 2.756 195 I HA -0.097 4.073 4.170 -0.000 0.000 0.262 195 I C 1.459 177.492 176.117 -0.141 0.000 1.225 195 I CA 0.945 62.170 61.300 -0.125 0.000 1.472 195 I CB -0.031 37.916 38.000 -0.088 0.000 1.094 195 I HN -0.137 nan 8.210 nan 0.000 0.454 196 S N 1.005 116.587 115.700 -0.197 0.000 2.575 196 S HA 0.177 4.647 4.470 -0.000 0.000 0.215 196 S C 0.835 175.387 174.600 -0.081 0.000 0.966 196 S CA -0.057 58.060 58.200 -0.138 0.000 0.911 196 S CB -0.327 62.742 63.200 -0.219 0.000 0.780 196 S HN 0.545 nan 8.310 nan 0.000 0.514 197 N N 1.480 120.130 118.700 -0.083 0.000 2.480 197 N HA 0.204 4.944 4.740 -0.000 0.000 0.281 197 N C -1.098 174.411 175.510 -0.001 0.000 1.381 197 N CA 0.142 53.155 53.050 -0.061 0.000 0.903 197 N CB 1.561 39.966 38.487 -0.136 0.000 1.274 197 N HN 0.074 nan 8.380 nan 0.000 0.505 198 V N 1.567 121.512 119.914 0.052 0.000 2.448 198 V HA 0.284 4.404 4.120 -0.000 0.000 0.295 198 V C 1.043 177.254 176.094 0.196 0.000 1.025 198 V CA -0.484 61.882 62.300 0.111 0.000 0.859 198 V CB 2.251 34.132 31.823 0.097 0.000 0.988 198 V HN 0.048 nan 8.190 nan 0.000 0.431 199 L N 3.084 124.355 121.223 0.079 0.000 2.202 199 L HA 0.281 4.621 4.340 -0.000 0.000 0.205 199 L C 0.915 177.730 176.870 -0.093 0.000 1.083 199 L CA 1.146 55.967 54.840 -0.032 0.000 0.790 199 L CB -0.106 41.863 42.059 -0.151 0.000 0.942 199 L HN 0.948 nan 8.230 nan 0.000 0.452 200 E N -2.173 118.037 120.200 0.015 0.000 2.422 200 E HA 0.563 4.913 4.350 -0.000 0.000 0.280 200 E C -1.248 175.416 176.600 0.105 0.000 1.091 200 E CA -0.729 55.677 56.400 0.010 0.000 0.849 200 E CB 1.315 30.922 29.700 -0.156 0.000 1.353 200 E HN -0.114 nan 8.360 nan 0.000 0.449 201 M N 0.840 120.507 119.600 0.111 0.000 2.575 201 M HA 0.392 4.871 4.480 -0.000 0.000 0.284 201 M C -1.831 174.469 176.300 0.001 0.000 1.253 201 M CA -1.008 54.322 55.300 0.051 0.000 0.861 201 M CB 2.493 35.133 32.600 0.068 0.000 1.733 201 M HN 0.457 nan 8.290 nan 0.000 0.462 202 D N 1.804 122.184 120.400 -0.032 0.000 2.233 202 D HA 0.557 5.197 4.640 -0.000 0.000 0.240 202 D C -1.106 175.154 176.300 -0.067 0.000 1.074 202 D CA -0.081 53.890 54.000 -0.047 0.000 0.838 202 D CB 2.008 42.778 40.800 -0.051 0.000 1.124 202 D HN 0.155 nan 8.370 nan 0.000 0.475 203 V N 3.257 123.127 119.914 -0.074 0.000 2.638 203 V HA 0.400 4.520 4.120 -0.000 0.000 0.306 203 V C 0.088 176.125 176.094 -0.094 0.000 1.052 203 V CA -0.813 61.423 62.300 -0.106 0.000 0.885 203 V CB 1.985 33.735 31.823 -0.121 0.000 0.999 203 V HN 0.370 nan 8.190 nan 0.000 0.424 204 I N 4.369 124.872 120.570 -0.111 0.000 2.304 204 I HA 0.363 4.533 4.170 -0.000 0.000 0.291 204 I C 1.039 177.126 176.117 -0.052 0.000 1.018 204 I CA -0.147 61.112 61.300 -0.069 0.000 1.260 204 I CB 1.645 39.606 38.000 -0.064 0.000 1.390 204 I HN 0.790 nan 8.210 nan 0.000 0.475 205 T N 1.747 116.306 114.554 0.008 0.000 2.732 205 T HA 0.199 4.548 4.350 -0.000 0.000 0.287 205 T C 1.431 176.171 174.700 0.067 0.000 0.993 205 T CA -0.142 61.995 62.100 0.063 0.000 0.966 205 T CB 1.182 70.173 68.868 0.205 0.000 1.047 205 T HN 0.710 nan 8.240 nan 0.000 0.527 206 G N -1.230 107.600 108.800 0.051 0.000 2.559 206 G HA2 -0.109 3.851 3.960 -0.000 0.000 0.216 206 G HA3 -0.109 3.851 3.960 -0.000 0.000 0.216 206 G C 1.288 176.097 174.900 -0.151 0.000 1.126 206 G CA 0.142 45.210 45.100 -0.054 0.000 0.778 206 G HN 0.889 nan 8.290 nan 0.000 0.543 207 H N 0.148 119.230 119.070 0.021 0.000 2.551 207 H HA 0.120 4.676 4.556 -0.000 0.000 0.266 207 H C 2.206 177.515 175.328 -0.031 0.000 0.977 207 H CA 0.626 56.665 56.048 -0.015 0.000 1.163 207 H CB 0.273 30.037 29.762 0.003 0.000 1.381 207 H HN 0.411 nan 8.280 nan 0.000 0.581 208 G N 1.627 110.468 108.800 0.068 0.000 2.147 208 G HA2 -0.282 3.678 3.960 -0.000 0.000 0.244 208 G HA3 -0.282 3.678 3.960 -0.000 0.000 0.244 208 G C 0.117 175.036 174.900 0.033 0.000 1.005 208 G CA 0.458 45.571 45.100 0.022 0.000 0.713 208 G HN 0.520 nan 8.290 nan 0.000 0.515 209 E N -0.270 119.967 120.200 0.062 0.000 2.174 209 E HA 0.618 4.968 4.350 -0.000 0.000 0.282 209 E C 0.565 177.177 176.600 0.020 0.000 0.992 209 E CA -1.101 55.324 56.400 0.041 0.000 0.803 209 E CB 0.472 30.207 29.700 0.059 0.000 1.090 209 E HN 0.232 nan 8.360 nan 0.000 0.396 210 M N 5.281 124.882 119.600 0.001 0.000 2.184 210 M HA 0.218 4.697 4.480 -0.000 0.000 0.351 210 M C -1.838 174.453 176.300 -0.015 0.000 1.395 210 M CA -0.205 55.086 55.300 -0.015 0.000 1.117 210 M CB 0.809 33.397 32.600 -0.020 0.000 1.708 210 M HN 0.280 nan 8.290 nan 0.000 0.468 211 V N 4.736 124.635 119.914 -0.025 0.000 2.588 211 V HA 0.490 4.610 4.120 -0.000 0.000 0.304 211 V C -0.159 175.913 176.094 -0.037 0.000 1.042 211 V CA -0.799 61.486 62.300 -0.025 0.000 0.877 211 V CB 2.040 33.848 31.823 -0.025 0.000 0.996 211 V HN 0.844 nan 8.190 nan 0.000 0.425 212 T N 4.371 118.904 114.554 -0.035 0.000 2.771 212 T HA 0.505 4.855 4.350 -0.000 0.000 0.291 212 T C -0.135 174.539 174.700 -0.043 0.000 0.954 212 T CA -0.241 61.834 62.100 -0.041 0.000 1.045 212 T CB 0.440 69.278 68.868 -0.049 0.000 0.917 212 T HN 1.013 nan 8.240 nan 0.000 0.484 213 C N 1.934 121.218 119.300 -0.026 0.000 2.898 213 C HA 1.002 5.462 4.460 -0.000 0.000 0.304 213 C C -0.051 174.865 174.990 -0.124 0.000 1.237 213 C CA -0.924 58.081 59.018 -0.022 0.000 1.529 213 C CB 0.922 28.699 27.740 0.062 0.000 2.021 213 C HN 1.000 nan 8.230 nan 0.000 0.474 214 S N 0.708 116.156 115.700 -0.420 0.000 2.683 214 S HA 0.481 4.951 4.470 -0.000 0.000 0.269 214 S C 0.062 174.111 174.600 -0.918 0.000 1.165 214 S CA -0.650 56.910 58.200 -1.067 0.000 0.840 214 S CB 0.880 63.738 63.200 -0.570 0.000 1.169 214 S HN 0.736 nan 8.310 nan 0.000 0.490 215 K N 0.216 120.102 120.400 -0.856 0.000 2.360 215 K HA 0.043 4.363 4.320 -0.000 0.000 0.201 215 K C 1.346 177.817 176.600 -0.214 0.000 1.046 215 K CA 1.338 57.406 56.287 -0.365 0.000 0.945 215 K CB -0.434 31.932 32.500 -0.223 0.000 0.750 215 K HN 0.557 nan 8.250 nan 0.000 0.464 216 Q N -0.567 119.093 119.800 -0.233 0.000 2.396 216 Q HA 0.174 4.513 4.340 -0.000 0.000 0.209 216 Q C -0.306 175.621 176.000 -0.121 0.000 0.906 216 Q CA 0.129 55.844 55.803 -0.146 0.000 0.927 216 Q CB 0.601 29.257 28.738 -0.136 0.000 1.069 216 Q HN 0.042 nan 8.270 nan 0.000 0.523 217 L N 0.014 121.150 121.223 -0.145 0.000 2.562 217 L HA 0.350 4.690 4.340 -0.000 0.000 0.266 217 L C -1.305 175.517 176.870 -0.081 0.000 0.949 217 L CA -0.117 54.664 54.840 -0.099 0.000 0.879 217 L CB 1.310 43.310 42.059 -0.098 0.000 1.278 217 L HN 0.227 nan 8.230 nan 0.000 0.404 218 N N 2.933 121.611 118.700 -0.037 0.000 2.725 218 N HA -0.258 4.481 4.740 -0.000 0.000 0.251 218 N C 1.115 176.633 175.510 0.014 0.000 1.031 218 N CA 0.763 53.813 53.050 0.000 0.000 0.720 218 N CB -0.457 38.031 38.487 0.002 0.000 0.930 218 N HN 0.808 nan 8.380 nan 0.000 0.543 219 A N 0.514 123.336 122.820 0.003 0.000 2.019 219 A HA -0.244 4.076 4.320 -0.000 0.000 0.219 219 A C 2.073 179.715 177.584 0.096 0.000 1.164 219 A CA 1.828 53.894 52.037 0.048 0.000 0.644 219 A CB -0.207 18.799 19.000 0.010 0.000 0.805 219 A HN 0.680 nan 8.150 nan 0.000 0.449 220 D N 0.259 120.691 120.400 0.053 0.000 2.097 220 D HA -0.193 4.447 4.640 -0.000 0.000 0.195 220 D C 1.788 178.071 176.300 -0.028 0.000 0.989 220 D CA 1.524 55.544 54.000 0.033 0.000 0.827 220 D CB -0.794 40.040 40.800 0.057 0.000 0.966 220 D HN 0.354 nan 8.370 nan 0.000 0.456 221 L N -0.502 120.683 121.223 -0.063 0.000 2.056 221 L HA 0.009 4.349 4.340 -0.000 0.000 0.207 221 L C 2.385 179.156 176.870 -0.165 0.000 1.078 221 L CA 1.178 55.823 54.840 -0.325 0.000 0.749 221 L CB -0.947 40.809 42.059 -0.505 0.000 0.901 221 L HN -0.020 nan 8.230 nan 0.000 0.433 222 F N 0.793 120.644 119.950 -0.165 0.000 2.043 222 F HA -0.304 4.223 4.527 -0.000 0.000 0.297 222 F C 2.209 177.965 175.800 -0.073 0.000 1.121 222 F CA 2.317 60.254 58.000 -0.105 0.000 1.199 222 F CB -0.509 38.445 39.000 -0.076 0.000 0.968 222 F HN 0.220 nan 8.300 nan 0.000 0.478 223 D N 0.302 120.712 120.400 0.017 0.000 2.144 223 D HA -0.145 4.495 4.640 -0.000 0.000 0.199 223 D C 2.352 178.593 176.300 -0.099 0.000 0.984 223 D CA 1.460 55.430 54.000 -0.049 0.000 0.834 223 D CB -0.729 40.101 40.800 0.050 0.000 0.955 223 D HN 0.406 nan 8.370 nan 0.000 0.465 224 A N 0.559 123.261 122.820 -0.197 0.000 1.873 224 A HA -0.116 4.204 4.320 -0.000 0.000 0.215 224 A C 2.519 180.036 177.584 -0.113 0.000 1.186 224 A CA 1.110 52.923 52.037 -0.374 0.000 0.616 224 A CB -0.715 17.724 19.000 -0.935 0.000 0.823 224 A HN 0.144 nan 8.150 nan 0.000 0.442 225 V N 0.239 120.095 119.914 -0.097 0.000 2.427 225 V HA -0.095 4.025 4.120 -0.000 0.000 0.248 225 V C 1.144 177.274 176.094 0.060 0.000 1.051 225 V CA 0.798 63.134 62.300 0.060 0.000 1.048 225 V CB -0.764 31.024 31.823 -0.057 0.000 0.666 225 V HN 0.452 nan 8.190 nan 0.000 0.456 226 L N 1.246 122.431 121.223 -0.064 0.000 2.456 226 L HA 0.403 4.743 4.340 -0.000 0.000 0.277 226 L C 1.348 178.301 176.870 0.139 0.000 1.124 226 L CA 0.752 55.565 54.840 -0.046 0.000 0.880 226 L CB -0.102 41.812 42.059 -0.242 0.000 1.192 226 L HN 0.431 nan 8.230 nan 0.000 0.463 227 G N 2.630 111.563 108.800 0.223 0.000 2.148 227 G HA2 -0.266 3.694 3.960 -0.000 0.000 0.254 227 G HA3 -0.266 3.694 3.960 -0.000 0.000 0.254 227 G C 0.816 175.999 174.900 0.471 0.000 0.981 227 G CA 0.190 45.508 45.100 0.364 0.000 0.670 227 G HN 0.881 nan 8.290 nan 0.000 0.528 228 G N -0.224 108.834 108.800 0.430 0.000 3.088 228 G HA2 0.430 4.390 3.960 -0.000 0.000 0.212 228 G HA3 0.430 4.390 3.960 -0.000 0.000 0.212 228 G C 1.113 176.266 174.900 0.422 0.000 1.173 228 G CA 0.448 45.904 45.100 0.594 0.000 0.779 228 G HN 1.410 nan 8.290 nan 0.000 0.540 229 L N -1.087 120.337 121.223 0.334 0.000 3.843 229 L HA -0.248 4.092 4.340 -0.000 0.000 0.411 229 L C 1.657 178.609 176.870 0.137 0.000 1.205 229 L CA 0.289 55.272 54.840 0.238 0.000 0.945 229 L CB -1.819 40.394 42.059 0.257 0.000 1.929 229 L HN 0.611 nan 8.230 nan 0.000 0.934 230 G N -1.165 107.711 108.800 0.128 0.000 2.168 230 G HA2 -0.320 3.640 3.960 -0.000 0.000 0.257 230 G HA3 -0.320 3.640 3.960 -0.000 0.000 0.257 230 G C 0.746 175.660 174.900 0.023 0.000 0.997 230 G CA 0.652 45.835 45.100 0.137 0.000 0.708 230 G HN 0.486 nan 8.290 nan 0.000 0.520 231 Q N -1.358 118.278 119.800 -0.273 0.000 2.389 231 Q HA 0.224 4.564 4.340 -0.000 0.000 0.204 231 Q C 1.761 177.320 176.000 -0.735 0.000 0.944 231 Q CA 1.023 56.446 55.803 -0.634 0.000 0.908 231 Q CB -0.018 28.077 28.738 -1.070 0.000 1.002 231 Q HN 0.717 nan 8.270 nan 0.000 0.493 232 F N -1.052 118.873 119.950 -0.042 0.000 2.746 232 F HA 0.482 5.009 4.527 -0.000 0.000 0.313 232 F C 1.055 176.812 175.800 -0.073 0.000 1.095 232 F CA 0.190 58.137 58.000 -0.088 0.000 1.224 232 F CB 1.070 39.961 39.000 -0.182 0.000 1.060 232 F HN -0.049 nan 8.300 nan 0.000 0.584 233 G N -0.177 108.671 108.800 0.080 0.000 2.336 233 G HA2 0.336 4.296 3.960 -0.000 0.000 0.300 233 G HA3 0.336 4.296 3.960 -0.000 0.000 0.300 233 G C -2.201 172.566 174.900 -0.221 0.000 1.375 233 G CA -0.697 44.388 45.100 -0.025 0.000 0.885 233 G HN -0.067 nan 8.290 nan 0.000 0.599 234 V N 0.978 120.606 119.914 -0.476 0.000 2.394 234 V HA 0.657 4.776 4.120 -0.000 0.000 0.282 234 V C 0.311 176.176 176.094 -0.381 0.000 1.031 234 V CA -0.924 60.905 62.300 -0.784 0.000 0.881 234 V CB 0.794 31.781 31.823 -1.393 0.000 0.982 234 V HN 0.619 nan 8.190 nan 0.000 0.451 235 I N 6.851 127.252 120.570 -0.280 0.000 2.421 235 I HA 0.171 4.340 4.170 -0.000 0.000 0.291 235 I C 1.549 177.567 176.117 -0.165 0.000 1.089 235 I CA 0.435 61.634 61.300 -0.169 0.000 1.354 235 I CB 1.300 39.234 38.000 -0.111 0.000 1.413 235 I HN 0.860 nan 8.210 nan 0.000 0.513 236 T N 2.840 117.313 114.554 -0.136 0.000 3.037 236 T HA 0.159 4.509 4.350 -0.000 0.000 0.251 236 T C 0.744 175.390 174.700 -0.089 0.000 1.079 236 T CA -0.078 61.956 62.100 -0.111 0.000 1.067 236 T CB 0.295 69.107 68.868 -0.094 0.000 0.948 236 T HN 0.571 nan 8.240 nan 0.000 0.496 237 R N 0.140 120.591 120.500 -0.083 0.000 2.566 237 R HA 0.653 4.993 4.340 -0.000 0.000 0.271 237 R C -2.241 174.019 176.300 -0.067 0.000 1.071 237 R CA -0.540 55.516 56.100 -0.074 0.000 0.915 237 R CB 1.889 32.156 30.300 -0.056 0.000 1.228 237 R HN 0.249 nan 8.270 nan 0.000 0.449 238 A N 3.556 126.331 122.820 -0.075 0.000 2.393 238 A HA 0.558 4.878 4.320 -0.000 0.000 0.306 238 A C -1.108 176.447 177.584 -0.049 0.000 1.050 238 A CA -0.768 51.238 52.037 -0.051 0.000 0.724 238 A CB 1.575 20.543 19.000 -0.053 0.000 1.248 238 A HN 0.733 nan 8.150 nan 0.000 0.424 239 R N 2.089 122.566 120.500 -0.039 0.000 2.196 239 R HA 0.559 4.898 4.340 -0.000 0.000 0.340 239 R C -1.195 175.097 176.300 -0.013 0.000 1.043 239 R CA 0.032 56.092 56.100 -0.067 0.000 0.883 239 R CB -0.121 30.049 30.300 -0.216 0.000 1.078 239 R HN 0.637 nan 8.270 nan 0.000 0.462 240 I N 3.627 124.218 120.570 0.036 0.000 2.359 240 I HA 0.361 4.531 4.170 -0.000 0.000 0.294 240 I C 0.376 176.535 176.117 0.070 0.000 0.987 240 I CA -0.826 60.507 61.300 0.054 0.000 1.225 240 I CB 1.950 39.986 38.000 0.061 0.000 1.366 240 I HN 0.671 nan 8.210 nan 0.000 0.466 241 A N 6.410 129.246 122.820 0.028 0.000 2.511 241 A HA 0.486 4.806 4.320 -0.000 0.000 0.242 241 A C -0.004 177.567 177.584 -0.022 0.000 1.069 241 A CA -0.169 51.875 52.037 0.013 0.000 0.763 241 A CB 0.189 19.168 19.000 -0.035 0.000 1.001 241 A HN 0.675 nan 8.150 nan 0.000 0.498 242 V N 0.332 120.246 119.914 0.000 0.000 3.126 242 V HA 0.935 5.055 4.120 -0.000 0.000 0.314 242 V C -0.541 175.533 176.094 -0.032 0.000 1.138 242 V CA -0.628 61.660 62.300 -0.019 0.000 1.034 242 V CB 1.754 33.587 31.823 0.017 0.000 1.075 242 V HN 1.102 nan 8.190 nan 0.000 0.442 243 E N 0.870 121.054 120.200 -0.027 0.000 2.392 243 E HA 0.664 5.014 4.350 -0.000 0.000 0.269 243 E C -3.154 173.445 176.600 -0.002 0.000 0.924 243 E CA -2.572 53.813 56.400 -0.025 0.000 0.784 243 E CB 2.024 31.692 29.700 -0.054 0.000 1.292 243 E HN 0.462 nan 8.360 nan 0.000 0.447 244 P HA 0.004 nan 4.420 nan 0.000 0.262 244 P C -0.835 176.451 177.300 -0.022 0.000 1.182 244 P CA 0.316 63.410 63.100 -0.010 0.000 0.761 244 P CB 0.502 32.193 31.700 -0.015 0.000 0.795 245 A N 6.269 129.087 122.820 -0.003 0.000 2.451 245 A HA 0.395 4.715 4.320 -0.000 0.000 0.266 245 A C -1.762 175.749 177.584 -0.123 0.000 1.119 245 A CA -1.078 50.953 52.037 -0.009 0.000 0.786 245 A CB -0.890 18.166 19.000 0.094 0.000 1.061 245 A HN 0.402 nan 8.150 nan 0.000 0.503 246 P HA 0.253 nan 4.420 nan 0.000 0.272 246 P C 0.632 177.769 177.300 -0.271 0.000 1.223 246 P CA 0.244 63.119 63.100 -0.375 0.000 0.784 246 P CB 1.213 32.538 31.700 -0.625 0.000 0.923 247 A N 3.405 126.091 122.820 -0.223 0.000 1.943 247 A HA 0.058 4.378 4.320 -0.000 0.000 0.213 247 A C 1.073 178.548 177.584 -0.183 0.000 1.181 247 A CA 0.947 52.894 52.037 -0.151 0.000 0.653 247 A CB -0.058 18.856 19.000 -0.143 0.000 0.833 247 A HN 0.550 nan 8.150 nan 0.000 0.451 248 R N -2.297 117.956 120.500 -0.412 0.000 2.799 248 R HA 0.674 5.014 4.340 -0.000 0.000 0.270 248 R C -1.469 174.580 176.300 -0.419 0.000 1.010 248 R CA -0.238 55.587 56.100 -0.458 0.000 0.916 248 R CB 2.091 31.915 30.300 -0.794 0.000 1.228 248 R HN 0.240 nan 8.270 nan 0.000 0.469 249 A N 1.667 124.396 122.820 -0.152 0.000 2.359 249 A HA 0.532 4.852 4.320 -0.000 0.000 0.303 249 A C -0.943 176.732 177.584 0.152 0.000 1.066 249 A CA -0.652 51.356 52.037 -0.049 0.000 0.730 249 A CB 1.402 20.265 19.000 -0.227 0.000 1.211 249 A HN 0.540 nan 8.150 nan 0.000 0.439 250 R N 1.757 122.429 120.500 0.288 0.000 2.298 250 R HA 0.391 4.730 4.340 -0.000 0.000 0.310 250 R C -1.391 175.044 176.300 0.224 0.000 1.068 250 R CA -0.208 56.056 56.100 0.274 0.000 0.957 250 R CB 0.310 30.739 30.300 0.215 0.000 1.003 250 R HN 0.698 nan 8.270 nan 0.000 0.454 251 W N 7.245 128.567 121.300 0.038 0.000 2.499 251 W HA 0.447 5.106 4.660 -0.000 0.000 0.320 251 W C -1.544 175.057 176.519 0.137 0.000 1.010 251 W CA -1.177 56.177 57.345 0.015 0.000 1.267 251 W CB 1.069 30.582 29.460 0.088 0.000 1.316 251 W HN 0.402 nan 8.180 nan 0.000 0.431 252 V N 4.248 124.295 119.914 0.221 0.000 2.769 252 V HA 0.723 4.842 4.120 -0.000 0.000 0.312 252 V C -0.609 175.178 176.094 -0.512 0.000 1.061 252 V CA -1.263 60.966 62.300 -0.118 0.000 0.931 252 V CB 2.037 33.682 31.823 -0.297 0.000 1.010 252 V HN 0.497 nan 8.190 nan 0.000 0.433 253 R N 2.827 123.001 120.500 -0.542 0.000 2.534 253 R HA 0.685 5.025 4.340 -0.000 0.000 0.301 253 R C -1.873 174.376 176.300 -0.084 0.000 0.961 253 R CA -0.409 55.407 56.100 -0.474 0.000 0.871 253 R CB 2.032 31.928 30.300 -0.674 0.000 1.170 253 R HN 0.720 nan 8.270 nan 0.000 0.446 254 F N 1.714 121.775 119.950 0.185 0.000 2.495 254 F HA 0.423 4.950 4.527 -0.000 0.000 0.327 254 F C 0.169 176.141 175.800 0.288 0.000 1.103 254 F CA -1.141 56.905 58.000 0.077 0.000 0.949 254 F CB 1.651 40.589 39.000 -0.105 0.000 1.142 254 F HN 0.018 nan 8.300 nan 0.000 0.457 255 V N 3.709 123.873 119.914 0.417 0.000 2.483 255 V HA 0.485 4.604 4.120 -0.000 0.000 0.295 255 V C -0.941 175.183 176.094 0.050 0.000 1.035 255 V CA -0.999 61.493 62.300 0.319 0.000 0.896 255 V CB 1.408 33.397 31.823 0.276 0.000 0.986 255 V HN 0.623 nan 8.190 nan 0.000 0.447 256 Y N 1.048 121.505 120.300 0.261 0.000 2.545 256 Y HA 0.476 5.026 4.550 -0.000 0.000 0.348 256 Y C 1.075 177.092 175.900 0.195 0.000 1.002 256 Y CA -0.663 57.589 58.100 0.252 0.000 1.039 256 Y CB 2.518 41.198 38.460 0.366 0.000 1.271 256 Y HN 0.663 nan 8.280 nan 0.000 0.467 257 T N -3.930 110.815 114.554 0.319 0.000 2.985 257 T HA 0.098 4.448 4.350 -0.000 0.000 0.254 257 T C -0.168 174.766 174.700 0.390 0.000 1.021 257 T CA -0.009 62.244 62.100 0.255 0.000 0.957 257 T CB 0.289 69.212 68.868 0.092 0.000 1.047 257 T HN 0.551 nan 8.240 nan 0.000 0.511 258 D N 0.435 121.080 120.400 0.408 0.000 2.392 258 D HA 0.231 4.871 4.640 -0.000 0.000 0.228 258 D C 0.070 176.502 176.300 0.220 0.000 1.074 258 D CA -0.692 53.498 54.000 0.317 0.000 0.838 258 D CB 1.187 42.129 40.800 0.236 0.000 1.067 258 D HN 0.051 nan 8.370 nan 0.000 0.511 259 F N 4.354 124.287 119.950 -0.029 0.000 2.126 259 F HA -0.141 4.386 4.527 -0.000 0.000 0.299 259 F C 2.022 177.758 175.800 -0.106 0.000 1.096 259 F CA 1.819 59.594 58.000 -0.376 0.000 1.255 259 F CB 0.072 38.867 39.000 -0.343 0.000 0.997 259 F HN 0.498 nan 8.300 nan 0.000 0.479 260 A N 0.365 123.179 122.820 -0.010 0.000 1.902 260 A HA -0.087 4.233 4.320 -0.000 0.000 0.217 260 A C 2.415 179.904 177.584 -0.158 0.000 1.181 260 A CA 1.888 53.880 52.037 -0.075 0.000 0.623 260 A CB -1.552 17.485 19.000 0.062 0.000 0.818 260 A HN 0.507 nan 8.150 nan 0.000 0.443 261 A N -1.068 121.718 122.820 -0.058 0.000 1.898 261 A HA 0.038 4.357 4.320 -0.000 0.000 0.216 261 A C 2.040 179.470 177.584 -0.257 0.000 1.181 261 A CA 1.526 53.559 52.037 -0.005 0.000 0.620 261 A CB -0.728 18.410 19.000 0.231 0.000 0.819 261 A HN 0.778 nan 8.150 nan 0.000 0.442 262 F N 2.354 121.878 119.950 -0.711 0.000 2.069 262 F HA -0.232 4.295 4.527 -0.000 0.000 0.298 262 F C 2.655 178.004 175.800 -0.752 0.000 1.113 262 F CA 2.316 59.585 58.000 -1.218 0.000 1.214 262 F CB -0.584 37.840 39.000 -0.959 0.000 0.978 262 F HN 0.292 nan 8.300 nan 0.000 0.474 263 S N 0.778 115.853 115.700 -1.043 0.000 2.387 263 S HA -0.034 4.436 4.470 -0.000 0.000 0.226 263 S C 2.272 176.606 174.600 -0.444 0.000 1.026 263 S CA 0.673 58.345 58.200 -0.879 0.000 0.972 263 S CB -1.288 61.346 63.200 -0.944 0.000 0.814 263 S HN 0.513 nan 8.310 nan 0.000 0.477 264 A N 2.264 124.882 122.820 -0.337 0.000 1.902 264 A HA -0.114 4.206 4.320 -0.000 0.000 0.217 264 A C 1.958 179.443 177.584 -0.165 0.000 1.181 264 A CA 1.770 53.701 52.037 -0.177 0.000 0.623 264 A CB -0.885 18.052 19.000 -0.105 0.000 0.818 264 A HN 0.467 nan 8.150 nan 0.000 0.443 265 D N -0.621 119.658 120.400 -0.202 0.000 2.144 265 D HA -0.104 4.535 4.640 -0.000 0.000 0.200 265 D C 2.235 178.441 176.300 -0.156 0.000 0.978 265 D CA 1.121 55.059 54.000 -0.104 0.000 0.833 265 D CB -0.347 40.472 40.800 0.032 0.000 0.961 265 D HN 0.573 nan 8.370 nan 0.000 0.470 266 Q N 0.321 119.929 119.800 -0.319 0.000 2.096 266 Q HA -0.169 4.171 4.340 -0.000 0.000 0.204 266 Q C 2.009 177.841 176.000 -0.281 0.000 0.982 266 Q CA 1.102 56.709 55.803 -0.326 0.000 0.850 266 Q CB -0.066 28.398 28.738 -0.456 0.000 0.901 266 Q HN 0.437 nan 8.270 nan 0.000 0.422 267 E N 0.161 120.222 120.200 -0.232 0.000 2.106 267 E HA -0.147 4.203 4.350 -0.000 0.000 0.192 267 E C 2.081 178.607 176.600 -0.124 0.000 0.984 267 E CA 0.539 56.833 56.400 -0.177 0.000 0.806 267 E CB 0.049 29.683 29.700 -0.110 0.000 0.750 267 E HN 0.221 nan 8.360 nan 0.000 0.458 268 R N 0.403 120.843 120.500 -0.099 0.000 2.073 268 R HA -0.101 4.239 4.340 -0.000 0.000 0.234 268 R C 2.445 178.715 176.300 -0.051 0.000 1.134 268 R CA 1.014 57.082 56.100 -0.053 0.000 0.952 268 R CB -0.317 29.966 30.300 -0.028 0.000 0.850 268 R HN 0.190 nan 8.270 nan 0.000 0.433 269 L N 0.163 121.331 121.223 -0.092 0.000 2.191 269 L HA -0.123 4.217 4.340 -0.000 0.000 0.212 269 L C 2.116 178.850 176.870 -0.227 0.000 1.103 269 L CA 1.521 56.293 54.840 -0.114 0.000 0.769 269 L CB -0.404 41.576 42.059 -0.132 0.000 0.908 269 L HN 0.378 nan 8.230 nan 0.000 0.438 270 T N -3.718 110.645 114.554 -0.318 0.000 3.054 270 T HA 0.407 4.757 4.350 -0.000 0.000 0.255 270 T C 0.686 175.481 174.700 0.157 0.000 1.035 270 T CA 0.024 61.881 62.100 -0.405 0.000 0.941 270 T CB 0.102 68.550 68.868 -0.700 0.000 1.026 270 T HN 0.145 nan 8.240 nan 0.000 0.533 271 A N 2.940 125.824 122.820 0.107 0.000 2.425 271 A HA 0.581 4.901 4.320 -0.000 0.000 0.249 271 A C -2.408 175.261 177.584 0.141 0.000 1.084 271 A CA -1.364 50.745 52.037 0.119 0.000 0.781 271 A CB -0.183 18.832 19.000 0.024 0.000 1.019 271 A HN 0.261 nan 8.150 nan 0.000 0.490 272 P HA 0.152 nan 4.420 nan 0.000 0.268 272 P C 0.170 177.322 177.300 -0.248 0.000 1.205 272 P CA -0.209 62.625 63.100 -0.444 0.000 0.771 272 P CB 0.473 31.946 31.700 -0.379 0.000 0.858 281 F N 1.434 121.379 119.950 -0.007 0.000 2.640 281 F HA 0.758 5.285 4.527 -0.000 0.000 0.324 281 F C 1.289 177.126 175.800 0.062 0.000 1.077 281 F CA -0.093 57.933 58.000 0.042 0.000 0.965 281 F CB 1.183 40.212 39.000 0.048 0.000 1.351 281 F HN 0.735 nan 8.300 nan 0.000 0.487 282 G N 0.390 109.375 108.800 0.310 0.000 2.583 282 G HA2 0.291 4.251 3.960 -0.000 0.000 0.275 282 G HA3 0.291 4.251 3.960 -0.000 0.000 0.275 282 G C -1.972 173.046 174.900 0.197 0.000 1.342 282 G CA -0.708 44.510 45.100 0.196 0.000 1.030 282 G HN 0.456 nan 8.290 nan 0.000 0.520 283 P HA 0.037 nan 4.420 nan 0.000 0.222 283 P C 0.799 178.193 177.300 0.157 0.000 1.153 283 P CA 0.620 63.800 63.100 0.132 0.000 0.798 283 P CB 0.151 31.913 31.700 0.105 0.000 0.796 284 M N -0.080 119.634 119.600 0.190 0.000 2.239 284 M HA 0.045 4.525 4.480 -0.000 0.000 0.348 284 M C 1.246 177.716 176.300 0.284 0.000 1.239 284 M CA 0.675 56.100 55.300 0.208 0.000 1.114 284 M CB 0.094 32.794 32.600 0.168 0.000 1.641 284 M HN -0.141 nan 8.290 nan 0.000 0.453 285 S N 2.234 118.065 115.700 0.219 0.000 2.458 285 S HA 0.042 4.512 4.470 -0.000 0.000 0.223 285 S C -0.049 174.746 174.600 0.326 0.000 1.019 285 S CA 0.387 58.708 58.200 0.201 0.000 0.937 285 S CB 0.090 63.363 63.200 0.121 0.000 0.788 285 S HN 0.698 nan 8.310 nan 0.000 0.511 286 Y N 0.346 120.762 120.300 0.194 0.000 2.442 286 Y HA 0.523 5.072 4.550 -0.000 0.000 0.330 286 Y C -2.065 173.892 175.900 0.094 0.000 1.100 286 Y CA -0.888 57.322 58.100 0.184 0.000 1.034 286 Y CB 1.238 39.734 38.460 0.059 0.000 1.285 286 Y HN -0.216 nan 8.280 nan 0.000 0.440 287 V N 6.400 126.133 119.914 -0.300 0.000 2.524 287 V HA 0.444 4.563 4.120 -0.000 0.000 0.297 287 V C -0.715 174.986 176.094 -0.654 0.000 1.035 287 V CA -0.586 61.481 62.300 -0.389 0.000 0.867 287 V CB 1.508 33.033 31.823 -0.497 0.000 1.004 287 V HN 0.898 nan 8.190 nan 0.000 0.426 288 E N 2.030 121.939 120.200 -0.485 0.000 2.449 288 E HA 0.890 5.240 4.350 -0.000 0.000 0.254 288 E C -0.227 176.426 176.600 0.088 0.000 0.907 288 E CA -0.884 55.310 56.400 -0.344 0.000 0.840 288 E CB 2.802 32.265 29.700 -0.395 0.000 1.459 288 E HN 0.784 nan 8.360 nan 0.000 0.407 289 G N -0.297 108.671 108.800 0.281 0.000 2.677 289 G HA2 0.531 4.491 3.960 -0.000 0.000 0.291 289 G HA3 0.531 4.491 3.960 -0.000 0.000 0.291 289 G C -1.450 173.643 174.900 0.322 0.000 1.435 289 G CA -0.552 44.816 45.100 0.445 0.000 0.826 289 G HN 0.375 nan 8.290 nan 0.000 0.491 290 S N -1.275 114.544 115.700 0.199 0.000 2.588 290 S HA 0.803 5.273 4.470 -0.000 0.000 0.275 290 S C -0.981 173.364 174.600 -0.426 0.000 1.130 290 S CA -0.829 57.280 58.200 -0.152 0.000 0.855 290 S CB 2.008 65.043 63.200 -0.275 0.000 1.116 290 S HN 0.851 nan 8.310 nan 0.000 0.472 291 V N 1.655 121.132 119.914 -0.728 0.000 2.555 291 V HA 0.627 4.746 4.120 -0.000 0.000 0.302 291 V C -1.522 173.994 176.094 -0.964 0.000 1.038 291 V CA -0.600 61.228 62.300 -0.787 0.000 0.887 291 V CB 0.988 32.222 31.823 -0.983 0.000 0.991 291 V HN 0.851 nan 8.190 nan 0.000 0.434 292 F N 3.315 123.056 119.950 -0.349 0.000 2.496 292 F HA 0.578 5.104 4.527 -0.000 0.000 0.341 292 F C 0.146 175.810 175.800 -0.227 0.000 1.134 292 F CA -0.992 56.876 58.000 -0.221 0.000 0.968 292 F CB 1.850 40.746 39.000 -0.172 0.000 1.205 292 F HN 0.408 nan 8.300 nan 0.000 0.436 293 V N 0.288 120.199 119.914 -0.005 0.000 2.775 293 V HA 0.293 4.413 4.120 -0.000 0.000 0.299 293 V C 1.064 177.162 176.094 0.006 0.000 1.062 293 V CA -0.531 61.762 62.300 -0.012 0.000 1.063 293 V CB 1.249 33.085 31.823 0.021 0.000 0.994 293 V HN 0.820 nan 8.190 nan 0.000 0.483 294 N N 2.199 120.890 118.700 -0.015 0.000 2.061 294 N HA -0.255 4.485 4.740 -0.000 0.000 0.193 294 N C 1.782 177.290 175.510 -0.003 0.000 1.030 294 N CA 2.302 55.342 53.050 -0.017 0.000 0.856 294 N CB -0.321 38.153 38.487 -0.022 0.000 1.023 294 N HN 0.959 nan 8.380 nan 0.000 0.424 295 Q N -0.606 119.197 119.800 0.006 0.000 2.096 295 Q HA -0.072 4.267 4.340 -0.000 0.000 0.204 295 Q C 0.300 176.312 176.000 0.020 0.000 0.982 295 Q CA 1.772 57.581 55.803 0.010 0.000 0.850 295 Q CB -0.040 28.705 28.738 0.012 0.000 0.901 295 Q HN 0.508 nan 8.270 nan 0.000 0.422 296 S N -0.424 115.297 115.700 0.036 0.000 2.562 296 S HA 0.127 4.597 4.470 -0.000 0.000 0.246 296 S C 0.922 175.559 174.600 0.060 0.000 1.056 296 S CA -0.421 57.809 58.200 0.051 0.000 1.042 296 S CB 0.570 63.813 63.200 0.072 0.000 0.822 296 S HN 0.299 nan 8.310 nan 0.000 0.465 297 L N 2.596 123.837 121.223 0.029 0.000 1.970 297 L HA 0.035 4.375 4.340 -0.000 0.000 0.212 297 L C 2.543 179.387 176.870 -0.043 0.000 1.071 297 L CA 2.394 57.234 54.840 0.001 0.000 0.751 297 L CB -1.203 40.827 42.059 -0.047 0.000 0.889 297 L HN 0.401 nan 8.230 nan 0.000 0.432 298 A N -1.838 120.954 122.820 -0.046 0.000 1.908 298 A HA -0.218 4.102 4.320 -0.000 0.000 0.218 298 A C 2.270 179.844 177.584 -0.016 0.000 1.181 298 A CA 2.418 54.422 52.037 -0.056 0.000 0.627 298 A CB -1.276 17.701 19.000 -0.038 0.000 0.818 298 A HN 0.554 nan 8.150 nan 0.000 0.445 299 T N 0.169 114.736 114.554 0.022 0.000 2.708 299 T HA -0.120 4.230 4.350 -0.000 0.000 0.266 299 T C 1.518 176.275 174.700 0.096 0.000 1.037 299 T CA 1.611 63.744 62.100 0.055 0.000 1.146 299 T CB -0.420 68.484 68.868 0.060 0.000 0.865 299 T HN 0.475 nan 8.240 nan 0.000 0.435 300 D N 0.974 121.455 120.400 0.135 0.000 2.144 300 D HA 0.029 4.669 4.640 -0.000 0.000 0.200 300 D C 2.144 178.626 176.300 0.304 0.000 0.978 300 D CA 0.581 54.733 54.000 0.253 0.000 0.833 300 D CB -0.397 40.618 40.800 0.358 0.000 0.961 300 D HN 0.300 nan 8.370 nan 0.000 0.470 301 L N 0.676 121.936 121.223 0.060 0.000 2.017 301 L HA -0.144 4.196 4.340 -0.000 0.000 0.208 301 L C 2.501 179.457 176.870 0.143 0.000 1.073 301 L CA 1.231 56.007 54.840 -0.106 0.000 0.745 301 L CB -0.421 41.378 42.059 -0.433 0.000 0.894 301 L HN -0.020 nan 8.230 nan 0.000 0.432 302 A N -0.019 122.852 122.820 0.084 0.000 1.933 302 A HA -0.195 4.125 4.320 -0.000 0.000 0.218 302 A C 1.933 179.594 177.584 0.128 0.000 1.175 302 A CA 1.785 53.882 52.037 0.099 0.000 0.628 302 A CB -0.541 18.493 19.000 0.056 0.000 0.814 302 A HN 0.429 nan 8.150 nan 0.000 0.444 303 N N 0.007 118.798 118.700 0.152 0.000 2.512 303 N HA -0.092 4.648 4.740 -0.000 0.000 0.183 303 N C 1.746 177.366 175.510 0.182 0.000 1.073 303 N CA 1.562 54.708 53.050 0.160 0.000 0.911 303 N CB -0.588 37.999 38.487 0.167 0.000 0.964 303 N HN 0.734 nan 8.380 nan 0.000 0.447 304 T N -3.215 111.469 114.554 0.218 0.000 2.881 304 T HA -0.002 4.348 4.350 -0.000 0.000 0.270 304 T C 1.657 176.442 174.700 0.141 0.000 1.068 304 T CA 1.306 63.527 62.100 0.201 0.000 1.131 304 T CB -0.390 68.597 68.868 0.198 0.000 0.871 304 T HN 0.273 nan 8.240 nan 0.000 0.479 305 G N 0.148 109.009 108.800 0.102 0.000 2.184 305 G HA2 -0.303 3.657 3.960 -0.000 0.000 0.264 305 G HA3 -0.303 3.657 3.960 -0.000 0.000 0.264 305 G C 0.398 175.273 174.900 -0.041 0.000 0.975 305 G CA 0.411 45.540 45.100 0.049 0.000 0.642 305 G HN 0.568 nan 8.290 nan 0.000 0.536 306 F N 0.086 119.862 119.950 -0.289 0.000 2.343 306 F HA 0.576 5.103 4.527 -0.000 0.000 0.286 306 F C 0.958 176.449 175.800 -0.514 0.000 1.057 306 F CA -0.207 57.456 58.000 -0.562 0.000 1.365 306 F CB 0.286 38.773 39.000 -0.856 0.000 1.114 306 F HN -0.010 nan 8.300 nan 0.000 0.545 307 F N 1.607 121.554 119.950 -0.005 0.000 2.412 307 F HA 0.279 4.805 4.527 -0.000 0.000 0.348 307 F C 1.055 176.769 175.800 -0.143 0.000 1.102 307 F CA -0.997 56.916 58.000 -0.145 0.000 1.196 307 F CB 0.270 39.136 39.000 -0.223 0.000 1.144 307 F HN -0.131 nan 8.300 nan 0.000 0.541 308 T N -1.580 113.006 114.554 0.052 0.000 2.788 308 T HA 0.101 4.451 4.350 -0.000 0.000 0.287 308 T C 0.903 175.614 174.700 0.019 0.000 1.007 308 T CA -0.734 61.373 62.100 0.012 0.000 1.005 308 T CB 0.773 69.640 68.868 -0.002 0.000 1.012 308 T HN 0.502 nan 8.240 nan 0.000 0.530 309 D N 0.682 121.085 120.400 0.005 0.000 2.144 309 D HA -0.052 4.588 4.640 -0.000 0.000 0.199 309 D C 2.313 178.608 176.300 -0.009 0.000 0.984 309 D CA 1.580 55.578 54.000 -0.003 0.000 0.834 309 D CB -0.704 40.096 40.800 -0.001 0.000 0.955 309 D HN 0.736 nan 8.370 nan 0.000 0.465 310 A N 1.170 123.992 122.820 0.004 0.000 1.898 310 A HA -0.182 4.138 4.320 -0.000 0.000 0.216 310 A C 1.852 179.448 177.584 0.019 0.000 1.181 310 A CA 1.550 53.595 52.037 0.013 0.000 0.620 310 A CB -0.326 18.689 19.000 0.024 0.000 0.819 310 A HN 0.012 nan 8.150 nan 0.000 0.442 311 D N -0.069 120.343 120.400 0.020 0.000 2.092 311 D HA -0.131 4.509 4.640 -0.000 0.000 0.193 311 D C 2.113 178.287 176.300 -0.209 0.000 0.994 311 D CA 1.613 55.588 54.000 -0.041 0.000 0.828 311 D CB -0.616 40.125 40.800 -0.098 0.000 0.963 311 D HN 0.193 nan 8.370 nan 0.000 0.450 312 V N 1.552 121.341 119.914 -0.208 0.000 2.287 312 V HA -0.287 3.833 4.120 -0.000 0.000 0.248 312 V C 2.565 178.569 176.094 -0.149 0.000 1.053 312 V CA 1.993 64.141 62.300 -0.253 0.000 1.027 312 V CB -0.937 30.798 31.823 -0.147 0.000 0.646 312 V HN 0.210 nan 8.190 nan 0.000 0.447 313 A N -0.096 122.683 122.820 -0.068 0.000 1.908 313 A HA -0.266 4.054 4.320 -0.000 0.000 0.218 313 A C 2.369 179.960 177.584 0.012 0.000 1.181 313 A CA 2.103 54.125 52.037 -0.026 0.000 0.627 313 A CB -0.526 18.471 19.000 -0.006 0.000 0.818 313 A HN 0.550 nan 8.150 nan 0.000 0.445 314 R N -0.679 119.854 120.500 0.054 0.000 2.081 314 R HA -0.031 4.309 4.340 -0.000 0.000 0.235 314 R C 1.990 178.470 176.300 0.300 0.000 1.131 314 R CA 1.592 57.798 56.100 0.176 0.000 0.960 314 R CB -0.480 29.928 30.300 0.179 0.000 0.856 314 R HN 0.595 nan 8.270 nan 0.000 0.436 315 I N 0.188 120.856 120.570 0.163 0.000 2.252 315 I HA -0.218 3.952 4.170 -0.000 0.000 0.245 315 I C 2.226 178.277 176.117 -0.110 0.000 1.102 315 I CA 0.914 62.205 61.300 -0.015 0.000 1.385 315 I CB -0.222 37.595 38.000 -0.305 0.000 1.064 315 I HN -0.054 nan 8.210 nan 0.000 0.414 316 V N 1.194 121.049 119.914 -0.100 0.000 2.343 316 V HA -0.303 3.816 4.120 -0.000 0.000 0.247 316 V C 2.768 178.836 176.094 -0.043 0.000 1.051 316 V CA 2.047 64.297 62.300 -0.084 0.000 1.036 316 V CB -1.032 30.748 31.823 -0.071 0.000 0.654 316 V HN 0.499 nan 8.190 nan 0.000 0.451 317 A N -0.164 122.655 122.820 -0.000 0.000 1.902 317 A HA -0.206 4.113 4.320 -0.000 0.000 0.217 317 A C 2.173 179.766 177.584 0.015 0.000 1.181 317 A CA 2.136 54.187 52.037 0.023 0.000 0.623 317 A CB -0.575 18.460 19.000 0.059 0.000 0.818 317 A HN 0.469 nan 8.150 nan 0.000 0.443 318 L N -0.158 121.068 121.223 0.005 0.000 2.017 318 L HA -0.081 4.259 4.340 -0.000 0.000 0.208 318 L C 2.668 179.474 176.870 -0.107 0.000 1.073 318 L CA 2.374 57.161 54.840 -0.088 0.000 0.745 318 L CB -0.802 41.030 42.059 -0.377 0.000 0.894 318 L HN 0.330 nan 8.230 nan 0.000 0.432 319 A N -0.471 122.278 122.820 -0.118 0.000 1.940 319 A HA -0.103 4.217 4.320 -0.000 0.000 0.219 319 A C 2.323 179.877 177.584 -0.051 0.000 1.176 319 A CA 1.688 53.671 52.037 -0.090 0.000 0.631 319 A CB -1.651 17.289 19.000 -0.099 0.000 0.814 319 A HN 0.574 nan 8.150 nan 0.000 0.446 320 G N 0.587 109.364 108.800 -0.039 0.000 2.433 320 G HA2 -0.261 3.699 3.960 -0.000 0.000 0.216 320 G HA3 -0.261 3.699 3.960 -0.000 0.000 0.216 320 G C 1.403 176.296 174.900 -0.012 0.000 1.186 320 G CA 1.070 46.158 45.100 -0.021 0.000 0.779 320 G HN 0.789 nan 8.290 nan 0.000 0.543 321 E N 0.289 120.484 120.200 -0.008 0.000 2.160 321 E HA -0.149 4.201 4.350 -0.000 0.000 0.195 321 E C 2.260 178.859 176.600 -0.002 0.000 0.991 321 E CA 0.812 57.212 56.400 0.000 0.000 0.810 321 E CB -0.244 29.463 29.700 0.011 0.000 0.742 321 E HN 0.374 nan 8.360 nan 0.000 0.466 322 R N 0.388 120.881 120.500 -0.011 0.000 2.317 322 R HA 0.101 4.440 4.340 -0.000 0.000 0.208 322 R C -0.268 176.033 176.300 0.001 0.000 0.914 322 R CA 0.365 56.463 56.100 -0.004 0.000 1.060 322 R CB -0.101 30.192 30.300 -0.011 0.000 1.015 322 R HN 0.227 nan 8.270 nan 0.000 0.498 323 N N 0.263 118.960 118.700 -0.004 0.000 2.714 323 N HA -0.233 4.506 4.740 -0.000 0.000 0.252 323 N C -0.847 174.662 175.510 -0.001 0.000 1.014 323 N CA 0.443 53.492 53.050 -0.003 0.000 0.735 323 N CB -0.723 37.765 38.487 0.003 0.000 0.924 323 N HN 0.276 nan 8.380 nan 0.000 0.540 324 A N 0.021 122.835 122.820 -0.009 0.000 2.366 324 A HA 0.463 4.783 4.320 -0.000 0.000 0.272 324 A C 1.543 179.114 177.584 -0.021 0.000 1.135 324 A CA 0.165 52.198 52.037 -0.006 0.000 0.804 324 A CB 0.405 19.395 19.000 -0.017 0.000 1.064 324 A HN 0.432 nan 8.150 nan 0.000 0.499 325 T N -0.961 113.587 114.554 -0.011 0.000 3.067 325 T HA 0.173 4.522 4.350 -0.000 0.000 0.257 325 T C 0.661 175.330 174.700 -0.053 0.000 1.105 325 T CA 1.040 63.127 62.100 -0.021 0.000 1.104 325 T CB -0.486 68.379 68.868 -0.006 0.000 0.925 325 T HN 1.159 nan 8.240 nan 0.000 0.498 326 T N -0.533 113.965 114.554 -0.093 0.000 2.952 326 T HA 0.689 5.039 4.350 -0.000 0.000 0.305 326 T C -1.109 173.349 174.700 -0.402 0.000 1.064 326 T CA -0.761 61.184 62.100 -0.259 0.000 1.008 326 T CB 2.015 70.706 68.868 -0.295 0.000 1.078 326 T HN 0.006 nan 8.240 nan 0.000 0.459 327 V N 3.284 122.933 119.914 -0.442 0.000 2.628 327 V HA 0.617 4.737 4.120 -0.000 0.000 0.306 327 V C -1.279 174.535 176.094 -0.467 0.000 1.045 327 V CA -0.889 61.212 62.300 -0.332 0.000 0.905 327 V CB 1.429 33.165 31.823 -0.145 0.000 0.997 327 V HN 0.940 nan 8.190 nan 0.000 0.436 328 Y N 1.468 121.783 120.300 0.025 0.000 2.485 328 Y HA 0.701 5.251 4.550 -0.000 0.000 0.345 328 Y C 0.329 176.297 175.900 0.113 0.000 0.998 328 Y CA -0.726 57.236 58.100 -0.230 0.000 1.059 328 Y CB 2.226 40.103 38.460 -0.971 0.000 1.234 328 Y HN 0.519 nan 8.280 nan 0.000 0.461 329 S N 2.788 118.690 115.700 0.336 0.000 2.614 329 S HA 0.598 5.068 4.470 -0.000 0.000 0.288 329 S C -1.047 173.916 174.600 0.606 0.000 1.137 329 S CA -0.568 57.963 58.200 0.551 0.000 0.992 329 S CB 0.325 63.873 63.200 0.580 0.000 1.026 329 S HN 0.589 nan 8.310 nan 0.000 0.486 330 I N 3.735 124.725 120.570 0.700 0.000 2.474 330 I HA 0.308 4.478 4.170 -0.000 0.000 0.287 330 I C 0.538 176.758 176.117 0.171 0.000 1.048 330 I CA -0.143 61.446 61.300 0.482 0.000 1.383 330 I CB 1.007 39.316 38.000 0.515 0.000 1.412 330 I HN 0.646 nan 8.210 nan 0.000 0.531 331 E N 5.923 126.207 120.200 0.140 0.000 2.165 331 E HA 0.703 5.053 4.350 -0.000 0.000 0.266 331 E C -1.499 175.213 176.600 0.187 0.000 0.889 331 E CA -0.632 55.826 56.400 0.097 0.000 0.756 331 E CB 1.648 31.499 29.700 0.252 0.000 1.131 331 E HN 0.732 nan 8.360 nan 0.000 0.411 332 A N 2.934 125.816 122.820 0.103 0.000 2.539 332 A HA 0.728 5.048 4.320 -0.000 0.000 0.296 332 A C -0.613 177.041 177.584 0.118 0.000 1.073 332 A CA -0.587 51.552 52.037 0.169 0.000 0.700 332 A CB 1.888 20.931 19.000 0.072 0.000 1.296 332 A HN 0.619 nan 8.150 nan 0.000 0.405 333 T N -1.403 113.194 114.554 0.071 0.000 2.906 333 T HA 0.689 5.038 4.350 -0.000 0.000 0.295 333 T C -1.271 173.443 174.700 0.023 0.000 1.075 333 T CA -0.606 61.438 62.100 -0.094 0.000 1.005 333 T CB 1.421 69.944 68.868 -0.574 0.000 1.136 333 T HN 1.406 nan 8.240 nan 0.000 0.498 334 L N 2.390 123.639 121.223 0.043 0.000 2.372 334 L HA 0.579 4.919 4.340 -0.000 0.000 0.273 334 L C -1.088 175.857 176.870 0.125 0.000 0.989 334 L CA -0.564 54.335 54.840 0.098 0.000 0.841 334 L CB 1.272 43.404 42.059 0.123 0.000 1.225 334 L HN 0.681 nan 8.230 nan 0.000 0.414 335 N N 4.187 122.921 118.700 0.057 0.000 2.529 335 N HA 0.469 5.209 4.740 -0.000 0.000 0.278 335 N C -0.940 174.629 175.510 0.099 0.000 1.146 335 N CA 0.143 53.180 53.050 -0.022 0.000 0.980 335 N CB 0.956 39.340 38.487 -0.171 0.000 1.124 335 N HN 0.645 nan 8.380 nan 0.000 0.458 345 A N 0.272 123.050 122.820 -0.069 0.000 1.929 345 A HA 0.213 4.533 4.320 -0.000 0.000 0.216 345 A C 1.988 179.519 177.584 -0.089 0.000 1.176 345 A CA 2.024 54.024 52.037 -0.061 0.000 0.628 345 A CB -0.736 18.236 19.000 -0.047 0.000 0.816 345 A HN 0.791 nan 8.150 nan 0.000 0.444 346 V N 0.738 120.548 119.914 -0.173 0.000 2.343 346 V HA -0.247 3.873 4.120 -0.000 0.000 0.247 346 V C 2.178 178.205 176.094 -0.111 0.000 1.051 346 V CA 2.225 64.394 62.300 -0.219 0.000 1.036 346 V CB -0.873 30.643 31.823 -0.511 0.000 0.654 346 V HN 0.477 nan 8.190 nan 0.000 0.451 347 D N -0.283 120.062 120.400 -0.092 0.000 2.106 347 D HA -0.236 4.404 4.640 -0.000 0.000 0.191 347 D C 2.212 178.504 176.300 -0.013 0.000 0.997 347 D CA 1.772 55.749 54.000 -0.038 0.000 0.834 347 D CB -0.252 40.530 40.800 -0.031 0.000 0.956 347 D HN 0.401 nan 8.370 nan 0.000 0.448 348 Q N 0.808 120.597 119.800 -0.018 0.000 2.079 348 Q HA -0.118 4.221 4.340 -0.000 0.000 0.200 348 Q C 1.914 177.918 176.000 0.007 0.000 0.974 348 Q CA 1.557 57.358 55.803 -0.004 0.000 0.840 348 Q CB -0.266 28.468 28.738 -0.007 0.000 0.898 348 Q HN 0.411 nan 8.270 nan 0.000 0.430 349 E N -0.785 119.415 120.200 0.000 0.000 2.058 349 E HA -0.211 4.139 4.350 -0.000 0.000 0.194 349 E C 1.843 178.467 176.600 0.041 0.000 0.997 349 E CA 1.273 57.684 56.400 0.018 0.000 0.801 349 E CB -0.231 29.474 29.700 0.010 0.000 0.746 349 E HN 0.355 nan 8.360 nan 0.000 0.450 350 L N 0.716 121.965 121.223 0.042 0.000 2.046 350 L HA -0.096 4.244 4.340 -0.000 0.000 0.208 350 L C 2.266 179.189 176.870 0.088 0.000 1.077 350 L CA 2.180 57.070 54.840 0.084 0.000 0.747 350 L CB -0.691 41.421 42.059 0.088 0.000 0.896 350 L HN 0.191 nan 8.230 nan 0.000 0.432 351 A N -1.589 121.266 122.820 0.059 0.000 1.940 351 A HA -0.202 4.118 4.320 -0.000 0.000 0.219 351 A C 2.417 180.027 177.584 0.044 0.000 1.176 351 A CA 2.025 54.093 52.037 0.051 0.000 0.631 351 A CB -0.963 18.056 19.000 0.030 0.000 0.814 351 A HN 0.521 nan 8.150 nan 0.000 0.446 352 S N -0.541 115.182 115.700 0.039 0.000 2.356 352 S HA -0.131 4.339 4.470 -0.000 0.000 0.223 352 S C 1.939 176.565 174.600 0.044 0.000 1.032 352 S CA 1.520 59.739 58.200 0.033 0.000 1.005 352 S CB -0.449 62.768 63.200 0.029 0.000 0.867 352 S HN 0.380 nan 8.310 nan 0.000 0.449 353 V N 2.383 122.336 119.914 0.065 0.000 2.307 353 V HA -0.136 3.984 4.120 -0.000 0.000 0.245 353 V C 2.180 178.322 176.094 0.081 0.000 1.045 353 V CA 1.440 63.789 62.300 0.082 0.000 1.024 353 V CB -0.852 31.041 31.823 0.116 0.000 0.651 353 V HN 0.431 nan 8.190 nan 0.000 0.449 354 L N 0.792 122.068 121.223 0.088 0.000 2.127 354 L HA -0.109 4.231 4.340 -0.000 0.000 0.211 354 L C 2.631 179.523 176.870 0.036 0.000 1.089 354 L CA 1.667 56.548 54.840 0.067 0.000 0.757 354 L CB -1.263 40.849 42.059 0.089 0.000 0.899 354 L HN 0.507 nan 8.230 nan 0.000 0.434 355 G N -0.187 108.622 108.800 0.016 0.000 2.470 355 G HA2 -0.263 3.697 3.960 -0.000 0.000 0.220 355 G HA3 -0.263 3.697 3.960 -0.000 0.000 0.220 355 G C 1.622 176.506 174.900 -0.026 0.000 1.121 355 G CA 1.234 46.322 45.100 -0.021 0.000 0.766 355 G HN 0.486 nan 8.290 nan 0.000 0.553 356 T N -1.351 113.204 114.554 0.001 0.000 3.113 356 T HA 0.375 4.725 4.350 -0.000 0.000 0.256 356 T C 1.004 175.707 174.700 0.006 0.000 1.131 356 T CA -0.129 61.974 62.100 0.004 0.000 1.074 356 T CB -0.092 68.789 68.868 0.021 0.000 0.944 356 T HN 0.110 nan 8.240 nan 0.000 0.516 357 L N 0.298 121.522 121.223 0.001 0.000 2.376 357 L HA 0.564 4.904 4.340 -0.000 0.000 0.267 357 L C 0.562 177.394 176.870 -0.063 0.000 1.035 357 L CA -1.001 53.863 54.840 0.040 0.000 0.800 357 L CB 1.420 43.566 42.059 0.144 0.000 1.290 357 L HN -0.041 nan 8.230 nan 0.000 0.462 358 S N -1.245 114.477 115.700 0.037 0.000 2.902 358 S HA 0.209 4.679 4.470 -0.000 0.000 0.250 358 S C -0.451 174.120 174.600 -0.050 0.000 1.046 358 S CA -0.591 57.587 58.200 -0.036 0.000 1.069 358 S CB -0.161 63.082 63.200 0.073 0.000 0.967 358 S HN 0.460 nan 8.310 nan 0.000 0.530 359 Y N -0.058 120.101 120.300 -0.234 0.000 2.385 359 Y HA 0.547 5.096 4.550 -0.000 0.000 0.346 359 Y C 0.192 175.913 175.900 -0.299 0.000 1.270 359 Y CA -1.211 56.458 58.100 -0.719 0.000 1.472 359 Y CB -0.111 37.913 38.460 -0.726 0.000 1.354 359 Y HN -0.104 nan 8.280 nan 0.000 0.611 360 V N 2.525 122.395 119.914 -0.073 0.000 2.485 360 V HA -0.028 4.092 4.120 -0.000 0.000 0.287 360 V C 0.375 176.594 176.094 0.209 0.000 1.022 360 V CA -0.255 62.066 62.300 0.035 0.000 1.067 360 V CB -0.138 31.668 31.823 -0.029 0.000 0.967 360 V HN 0.764 nan 8.190 nan 0.000 0.479 361 E N 4.065 124.285 120.200 0.033 0.000 2.529 361 E HA 0.317 4.667 4.350 -0.000 0.000 0.259 361 E C 1.180 177.877 176.600 0.162 0.000 0.966 361 E CA 1.340 57.760 56.400 0.032 0.000 0.937 361 E CB 0.287 29.957 29.700 -0.049 0.000 0.923 361 E HN 0.958 nan 8.360 nan 0.000 0.468 362 G N 3.442 112.268 108.800 0.043 0.000 2.175 362 G HA2 -0.274 3.686 3.960 -0.000 0.000 0.244 362 G HA3 -0.274 3.686 3.960 -0.000 0.000 0.244 362 G C 0.319 174.867 174.900 -0.587 0.000 0.982 362 G CA 0.132 45.087 45.100 -0.242 0.000 0.641 362 G HN 0.446 nan 8.290 nan 0.000 0.527 363 F N 1.596 121.527 119.950 -0.031 0.000 2.879 363 F HA 0.702 5.229 4.527 -0.000 0.000 0.354 363 F C 0.874 176.606 175.800 -0.113 0.000 1.291 363 F CA -0.149 57.794 58.000 -0.095 0.000 1.238 363 F CB 1.000 40.109 39.000 0.182 0.000 1.005 363 F HN 0.400 nan 8.300 nan 0.000 0.508 364 A N 0.545 123.240 122.820 -0.209 0.000 2.271 364 A HA 0.753 5.073 4.320 -0.000 0.000 0.317 364 A C -1.095 176.323 177.584 -0.276 0.000 1.245 364 A CA -0.240 51.756 52.037 -0.069 0.000 0.857 364 A CB 0.214 19.188 19.000 -0.043 0.000 1.175 364 A HN 0.253 nan 8.150 nan 0.000 0.512 365 F N 0.978 121.066 119.950 0.229 0.000 2.482 365 F HA 0.487 5.014 4.527 -0.000 0.000 0.331 365 F C 0.546 176.493 175.800 0.246 0.000 1.115 365 F CA -0.201 57.952 58.000 0.255 0.000 0.955 365 F CB 2.135 41.407 39.000 0.453 0.000 1.136 365 F HN 0.552 nan 8.300 nan 0.000 0.452 366 Q N 3.373 123.339 119.800 0.276 0.000 2.337 366 Q HA 0.637 4.977 4.340 -0.000 0.000 0.266 366 Q C -0.743 175.268 176.000 0.017 0.000 1.023 366 Q CA -1.029 54.882 55.803 0.180 0.000 0.829 366 Q CB 3.031 31.840 28.738 0.119 0.000 1.306 366 Q HN 0.647 nan 8.270 nan 0.000 0.449 367 R N 0.886 121.396 120.500 0.018 0.000 2.854 367 R HA 0.439 4.779 4.340 -0.000 0.000 0.271 367 R C -1.355 175.038 176.300 0.156 0.000 0.994 367 R CA -0.724 55.331 56.100 -0.073 0.000 0.945 367 R CB 1.794 31.862 30.300 -0.387 0.000 1.194 367 R HN 0.564 nan 8.270 nan 0.000 0.476 368 D N 1.965 122.452 120.400 0.146 0.000 2.686 368 D HA 0.348 4.988 4.640 -0.000 0.000 0.249 368 D C -1.187 175.225 176.300 0.185 0.000 1.260 368 D CA -0.334 53.789 54.000 0.205 0.000 0.910 368 D CB 1.818 42.726 40.800 0.181 0.000 1.323 368 D HN 0.334 nan 8.370 nan 0.000 0.561 369 V N 0.025 120.063 119.914 0.207 0.000 3.130 369 V HA 0.892 5.012 4.120 -0.000 0.000 0.310 369 V C 0.011 176.154 176.094 0.082 0.000 1.158 369 V CA -1.080 61.319 62.300 0.166 0.000 1.029 369 V CB 1.145 33.132 31.823 0.273 0.000 1.057 369 V HN 0.608 nan 8.190 nan 0.000 0.436 370 A N 0.912 123.763 122.820 0.052 0.000 2.498 370 A HA 0.377 4.697 4.320 -0.000 0.000 0.239 370 A C 0.582 178.194 177.584 0.047 0.000 1.068 370 A CA 0.254 52.304 52.037 0.021 0.000 0.766 370 A CB -0.391 18.615 19.000 0.009 0.000 1.003 370 A HN 1.385 nan 8.150 nan 0.000 0.497 371 Y N 2.726 122.962 120.300 -0.107 0.000 2.102 371 Y HA -0.275 4.275 4.550 -0.000 0.000 0.280 371 Y C 2.376 178.213 175.900 -0.104 0.000 1.178 371 Y CA 2.503 60.540 58.100 -0.105 0.000 1.146 371 Y CB -0.687 37.708 38.460 -0.107 0.000 0.968 371 Y HN 0.692 nan 8.280 nan 0.000 0.504 372 A N 0.091 122.798 122.820 -0.188 0.000 1.933 372 A HA -0.041 4.279 4.320 -0.000 0.000 0.218 372 A C 2.462 179.870 177.584 -0.292 0.000 1.175 372 A CA 1.801 53.642 52.037 -0.326 0.000 0.628 372 A CB -1.405 17.486 19.000 -0.181 0.000 0.814 372 A HN 0.597 nan 8.150 nan 0.000 0.444 373 A N -1.010 121.715 122.820 -0.159 0.000 1.933 373 A HA -0.017 4.303 4.320 -0.000 0.000 0.218 373 A C 2.016 179.492 177.584 -0.180 0.000 1.175 373 A CA 1.560 53.528 52.037 -0.114 0.000 0.628 373 A CB -0.687 18.309 19.000 -0.007 0.000 0.814 373 A HN 0.727 nan 8.150 nan 0.000 0.444 374 F N 0.728 120.458 119.950 -0.367 0.000 2.102 374 F HA -0.125 4.402 4.527 -0.000 0.000 0.298 374 F C 1.851 177.261 175.800 -0.650 0.000 1.105 374 F CA 1.724 59.340 58.000 -0.640 0.000 1.239 374 F CB -0.381 38.169 39.000 -0.750 0.000 0.991 374 F HN 0.130 nan 8.300 nan 0.000 0.474 375 L N -0.091 120.632 121.223 -0.834 0.000 2.083 375 L HA -0.199 4.141 4.340 -0.000 0.000 0.209 375 L C 1.424 177.838 176.870 -0.761 0.000 1.083 375 L CA 1.756 55.997 54.840 -0.998 0.000 0.752 375 L CB -0.676 40.679 42.059 -1.173 0.000 0.899 375 L HN 0.127 nan 8.230 nan 0.000 0.433 376 D N -0.410 119.661 120.400 -0.549 0.000 2.336 376 D HA -0.035 4.604 4.640 -0.000 0.000 0.228 376 D C 1.986 178.146 176.300 -0.234 0.000 1.120 376 D CA -0.078 53.709 54.000 -0.356 0.000 0.839 376 D CB 0.230 40.862 40.800 -0.280 0.000 0.932 376 D HN 0.186 nan 8.370 nan 0.000 0.509 377 R N -0.519 119.788 120.500 -0.322 0.000 2.133 377 R HA -0.138 4.202 4.340 -0.000 0.000 0.247 377 R C 1.296 177.580 176.300 -0.028 0.000 1.151 377 R CA 1.418 57.429 56.100 -0.147 0.000 0.971 377 R CB -0.890 29.296 30.300 -0.190 0.000 0.866 377 R HN 0.109 nan 8.270 nan 0.000 0.447 378 V N 1.130 121.031 119.914 -0.022 0.000 2.871 378 V HA -0.159 3.961 4.120 -0.000 0.000 0.256 378 V C 2.328 178.477 176.094 0.092 0.000 1.082 378 V CA 1.844 64.212 62.300 0.113 0.000 1.105 378 V CB -0.850 31.133 31.823 0.266 0.000 0.713 378 V HN 0.467 nan 8.190 nan 0.000 0.473 379 H N 1.675 120.699 119.070 -0.077 0.000 2.319 379 H HA -0.133 4.423 4.556 -0.000 0.000 0.299 379 H C 2.249 177.501 175.328 -0.126 0.000 1.092 379 H CA 2.048 58.014 56.048 -0.138 0.000 1.302 379 H CB -0.610 29.042 29.762 -0.184 0.000 1.373 379 H HN 0.332 nan 8.280 nan 0.000 0.497 380 G N -0.123 108.570 108.800 -0.178 0.000 2.422 380 G HA2 -0.308 3.652 3.960 -0.000 0.000 0.218 380 G HA3 -0.308 3.652 3.960 -0.000 0.000 0.218 380 G C 1.677 176.480 174.900 -0.161 0.000 1.146 380 G CA 0.790 45.776 45.100 -0.189 0.000 0.769 380 G HN 0.598 nan 8.290 nan 0.000 0.547 381 E N 0.230 120.380 120.200 -0.083 0.000 2.047 381 E HA -0.156 4.193 4.350 -0.000 0.000 0.191 381 E C 2.266 178.797 176.600 -0.116 0.000 0.987 381 E CA 1.194 57.586 56.400 -0.013 0.000 0.799 381 E CB -0.184 29.582 29.700 0.109 0.000 0.752 381 E HN 0.639 nan 8.360 nan 0.000 0.449 382 E N 0.002 119.971 120.200 -0.384 0.000 2.058 382 E HA -0.188 4.162 4.350 -0.000 0.000 0.194 382 E C 2.109 178.383 176.600 -0.543 0.000 0.997 382 E CA 1.523 57.385 56.400 -0.898 0.000 0.801 382 E CB 0.068 28.975 29.700 -1.322 0.000 0.746 382 E HN 0.149 nan 8.360 nan 0.000 0.450 383 V N 1.421 121.054 119.914 -0.468 0.000 2.287 383 V HA -0.309 3.811 4.120 -0.000 0.000 0.248 383 V C 2.531 178.531 176.094 -0.157 0.000 1.053 383 V CA 1.994 64.102 62.300 -0.322 0.000 1.027 383 V CB -0.942 30.668 31.823 -0.356 0.000 0.646 383 V HN 0.496 nan 8.190 nan 0.000 0.447 384 A N -0.325 122.426 122.820 -0.114 0.000 1.858 384 A HA -0.168 4.152 4.320 -0.000 0.000 0.216 384 A C 2.215 179.816 177.584 0.029 0.000 1.190 384 A CA 1.949 53.969 52.037 -0.028 0.000 0.617 384 A CB -0.607 18.390 19.000 -0.005 0.000 0.827 384 A HN 0.495 nan 8.150 nan 0.000 0.443 385 L N -0.585 120.681 121.223 0.073 0.000 2.083 385 L HA -0.192 4.147 4.340 -0.000 0.000 0.209 385 L C 2.482 179.470 176.870 0.196 0.000 1.083 385 L CA 1.562 56.515 54.840 0.189 0.000 0.752 385 L CB -0.541 41.745 42.059 0.379 0.000 0.899 385 L HN 0.496 nan 8.230 nan 0.000 0.433 386 N N 0.326 119.105 118.700 0.132 0.000 2.188 386 N HA -0.181 4.559 4.740 -0.000 0.000 0.184 386 N C 1.742 177.302 175.510 0.084 0.000 1.018 386 N CA 1.246 54.377 53.050 0.135 0.000 0.858 386 N CB 0.064 38.568 38.487 0.029 0.000 0.989 386 N HN 0.143 nan 8.380 nan 0.000 0.426 387 K N -0.294 120.131 120.400 0.042 0.000 2.152 387 K HA -0.044 4.276 4.320 -0.000 0.000 0.206 387 K C 1.153 177.782 176.600 0.048 0.000 1.048 387 K CA 0.899 57.206 56.287 0.033 0.000 0.933 387 K CB -0.064 32.444 32.500 0.013 0.000 0.721 387 K HN 0.298 nan 8.250 nan 0.000 0.447 388 L N -0.411 120.852 121.223 0.066 0.000 2.611 388 L HA 0.177 4.516 4.340 -0.000 0.000 0.229 388 L C 0.898 177.815 176.870 0.078 0.000 1.137 388 L CA 0.072 54.953 54.840 0.068 0.000 0.901 388 L CB 0.159 42.262 42.059 0.072 0.000 1.098 388 L HN 0.305 nan 8.230 nan 0.000 0.456 389 G N 0.921 109.778 108.800 0.095 0.000 2.198 389 G HA2 -0.282 3.678 3.960 -0.000 0.000 0.260 389 G HA3 -0.282 3.678 3.960 -0.000 0.000 0.260 389 G C 0.482 175.448 174.900 0.111 0.000 1.025 389 G CA 0.287 45.445 45.100 0.097 0.000 0.769 389 G HN 0.388 nan 8.290 nan 0.000 0.507 390 L N -1.490 119.831 121.223 0.164 0.000 2.857 390 L HA 0.318 4.658 4.340 -0.000 0.000 0.249 390 L C 1.968 179.007 176.870 0.281 0.000 1.172 390 L CA -0.534 54.410 54.840 0.172 0.000 0.980 390 L CB -0.024 42.134 42.059 0.164 0.000 1.299 390 L HN 0.516 nan 8.230 nan 0.000 0.535 391 W N 1.310 122.682 121.300 0.120 0.000 2.678 391 W HA 0.086 4.746 4.660 -0.000 0.000 0.282 391 W C 0.734 177.363 176.519 0.182 0.000 1.137 391 W CA 0.014 57.478 57.345 0.200 0.000 1.515 391 W CB 0.465 30.038 29.460 0.189 0.000 1.101 391 W HN -0.081 nan 8.180 nan 0.000 0.564 392 R N 2.048 122.669 120.500 0.200 0.000 4.164 392 R HA 0.117 4.457 4.340 -0.000 0.000 0.195 392 R C -0.154 176.057 176.300 -0.149 0.000 1.712 392 R CA -0.073 56.035 56.100 0.015 0.000 1.457 392 R CB -0.161 30.211 30.300 0.119 0.000 1.387 392 R HN -0.108 nan 8.270 nan 0.000 0.785 393 V N -1.835 117.841 119.914 -0.397 0.000 3.126 393 V HA 0.660 4.780 4.120 -0.000 0.000 0.314 393 V C -2.746 172.827 176.094 -0.868 0.000 1.138 393 V CA -3.515 58.502 62.300 -0.472 0.000 1.034 393 V CB 2.301 33.926 31.823 -0.329 0.000 1.075 393 V HN 0.126 nan 8.190 nan 0.000 0.442 394 P HA 0.297 nan 4.420 nan 0.000 0.268 394 P C -1.127 175.733 177.300 -0.734 0.000 1.204 394 P CA 0.518 63.283 63.100 -0.558 0.000 0.768 394 P CB -0.115 31.414 31.700 -0.286 0.000 0.842 395 H N 3.485 122.276 119.070 -0.465 0.000 2.530 395 H HA 0.226 4.782 4.556 -0.000 0.000 0.246 395 H C -1.899 173.265 175.328 -0.274 0.000 1.346 395 H CA -1.901 53.832 56.048 -0.525 0.000 1.424 395 H CB 0.424 29.396 29.762 -1.316 0.000 1.445 395 H HN 0.303 nan 8.280 nan 0.000 0.511 396 P HA -0.049 nan 4.420 nan 0.000 0.230 396 P C -0.629 176.938 177.300 0.446 0.000 1.791 396 P CA -0.302 62.902 63.100 0.173 0.000 1.020 396 P CB -0.195 31.564 31.700 0.099 0.000 1.977 397 W N 1.749 123.142 121.300 0.154 0.000 2.190 397 W HA 0.270 4.929 4.660 -0.000 0.000 0.330 397 W C 0.330 176.921 176.519 0.119 0.000 1.299 397 W CA -0.398 57.035 57.345 0.146 0.000 1.215 397 W CB 0.120 29.636 29.460 0.093 0.000 1.147 397 W HN 0.089 nan 8.180 nan 0.000 0.563 398 L N 5.747 127.155 121.223 0.309 0.000 2.319 398 L HA 0.431 4.771 4.340 -0.000 0.000 0.281 398 L C -0.667 176.254 176.870 0.084 0.000 1.005 398 L CA -0.344 54.609 54.840 0.188 0.000 0.828 398 L CB 0.252 42.452 42.059 0.235 0.000 1.227 398 L HN 0.292 nan 8.230 nan 0.000 0.415 399 N N 7.428 126.158 118.700 0.050 0.000 2.314 399 N HA 0.722 5.462 4.740 -0.000 0.000 0.294 399 N C -1.001 174.462 175.510 -0.077 0.000 1.029 399 N CA -0.455 52.590 53.050 -0.009 0.000 0.845 399 N CB 2.262 40.774 38.487 0.042 0.000 1.321 399 N HN 0.695 nan 8.380 nan 0.000 0.481 400 M N -0.954 118.538 119.600 -0.178 0.000 2.721 400 M HA 0.586 5.066 4.480 -0.000 0.000 0.271 400 M C -1.927 174.156 176.300 -0.360 0.000 1.259 400 M CA -0.810 54.350 55.300 -0.233 0.000 0.835 400 M CB 1.848 34.388 32.600 -0.100 0.000 1.689 400 M HN 0.024 nan 8.290 nan 0.000 0.470 401 F N 1.261 121.226 119.950 0.024 0.000 2.411 401 F HA 0.674 5.201 4.527 -0.000 0.000 0.352 401 F C -0.456 175.338 175.800 -0.010 0.000 1.123 401 F CA -0.937 57.048 58.000 -0.025 0.000 1.044 401 F CB 1.910 40.761 39.000 -0.247 0.000 1.135 401 F HN 0.295 nan 8.300 nan 0.000 0.461 402 V N 5.758 125.797 119.914 0.208 0.000 2.417 402 V HA 0.413 4.533 4.120 -0.000 0.000 0.291 402 V C -2.097 174.132 176.094 0.225 0.000 1.024 402 V CA -2.197 60.171 62.300 0.113 0.000 0.861 402 V CB 1.681 33.413 31.823 -0.152 0.000 0.985 402 V HN 0.473 nan 8.190 nan 0.000 0.436 403 P HA 0.077 nan 4.420 nan 0.000 0.268 403 P C 0.628 178.062 177.300 0.223 0.000 1.205 403 P CA -0.104 63.115 63.100 0.197 0.000 0.771 403 P CB 0.903 32.666 31.700 0.105 0.000 0.858 404 R N 3.016 123.675 120.500 0.265 0.000 2.103 404 R HA -0.168 4.171 4.340 -0.000 0.000 0.242 404 R C 1.970 178.375 176.300 0.175 0.000 1.142 404 R CA 2.503 58.779 56.100 0.293 0.000 0.960 404 R CB -0.790 29.656 30.300 0.243 0.000 0.858 404 R HN 0.575 nan 8.270 nan 0.000 0.439 405 S N -0.152 115.625 115.700 0.129 0.000 2.440 405 S HA -0.068 4.401 4.470 -0.000 0.000 0.238 405 S C 1.378 176.033 174.600 0.091 0.000 1.010 405 S CA 0.738 58.995 58.200 0.095 0.000 0.972 405 S CB -0.012 63.230 63.200 0.070 0.000 0.774 405 S HN 0.357 nan 8.310 nan 0.000 0.501 406 R N -0.476 120.085 120.500 0.101 0.000 2.508 406 R HA 0.434 4.774 4.340 -0.000 0.000 0.300 406 R C 1.257 177.629 176.300 0.120 0.000 0.970 406 R CA -0.142 56.020 56.100 0.103 0.000 1.102 406 R CB -0.863 29.496 30.300 0.098 0.000 1.246 406 R HN 0.432 nan 8.270 nan 0.000 0.539 407 I N 1.567 122.188 120.570 0.084 0.000 2.394 407 I HA -0.134 4.036 4.170 -0.000 0.000 0.251 407 I C 2.011 178.178 176.117 0.083 0.000 1.136 407 I CA 1.192 62.505 61.300 0.021 0.000 1.425 407 I CB -0.075 37.742 38.000 -0.304 0.000 1.079 407 I HN 0.155 nan 8.210 nan 0.000 0.425 408 A N -0.175 122.743 122.820 0.163 0.000 1.902 408 A HA -0.210 4.110 4.320 -0.000 0.000 0.217 408 A C 2.020 179.596 177.584 -0.013 0.000 1.181 408 A CA 2.005 54.103 52.037 0.102 0.000 0.623 408 A CB -0.810 18.312 19.000 0.203 0.000 0.818 408 A HN 0.444 nan 8.150 nan 0.000 0.443 409 D N -1.053 119.393 120.400 0.077 0.000 2.117 409 D HA -0.142 4.498 4.640 -0.000 0.000 0.197 409 D C 1.628 178.033 176.300 0.174 0.000 0.987 409 D CA 1.202 55.276 54.000 0.123 0.000 0.829 409 D CB -0.467 40.415 40.800 0.138 0.000 0.961 409 D HN 0.488 nan 8.370 nan 0.000 0.460 410 F N 1.544 121.505 119.950 0.018 0.000 2.126 410 F HA -0.227 4.300 4.527 -0.000 0.000 0.299 410 F C 2.055 177.623 175.800 -0.386 0.000 1.096 410 F CA 1.816 59.782 58.000 -0.057 0.000 1.255 410 F CB -0.074 38.866 39.000 -0.101 0.000 0.997 410 F HN -0.142 nan 8.300 nan 0.000 0.479 411 D N -0.368 119.893 120.400 -0.231 0.000 2.104 411 D HA -0.209 4.431 4.640 -0.000 0.000 0.194 411 D C 2.334 178.444 176.300 -0.317 0.000 0.994 411 D CA 1.643 55.413 54.000 -0.384 0.000 0.830 411 D CB -0.121 40.054 40.800 -1.042 0.000 0.959 411 D HN 0.203 nan 8.370 nan 0.000 0.452 412 R N -0.658 119.689 120.500 -0.255 0.000 2.083 412 R HA -0.034 4.306 4.340 -0.000 0.000 0.237 412 R C 2.486 178.580 176.300 -0.343 0.000 1.137 412 R CA 1.452 57.438 56.100 -0.189 0.000 0.951 412 R CB -0.522 29.731 30.300 -0.078 0.000 0.851 412 R HN 0.302 nan 8.270 nan 0.000 0.434 413 G N -0.789 107.648 108.800 -0.606 0.000 2.430 413 G HA2 -0.093 3.867 3.960 -0.000 0.000 0.216 413 G HA3 -0.093 3.867 3.960 -0.000 0.000 0.216 413 G C 1.235 175.433 174.900 -1.170 0.000 1.146 413 G CA 0.482 44.831 45.100 -1.251 0.000 0.793 413 G HN 0.143 nan 8.290 nan 0.000 0.537 414 V N -0.442 118.822 119.914 -1.083 0.000 2.721 414 V HA 0.227 4.346 4.120 -0.000 0.000 0.236 414 V C 2.175 177.960 176.094 -0.516 0.000 1.116 414 V CA 0.513 62.235 62.300 -0.964 0.000 1.148 414 V CB -0.569 30.347 31.823 -1.512 0.000 0.886 414 V HN 0.185 nan 8.190 nan 0.000 0.490 415 F N 1.122 120.918 119.950 -0.256 0.000 2.187 415 F HA 0.092 4.619 4.527 -0.000 0.000 0.295 415 F C 2.178 177.908 175.800 -0.116 0.000 1.091 415 F CA 0.972 58.902 58.000 -0.116 0.000 1.308 415 F CB -0.570 38.422 39.000 -0.012 0.000 1.030 415 F HN 0.063 nan 8.300 nan 0.000 0.487 416 K N -0.580 119.831 120.400 0.018 0.000 2.379 416 K HA 0.189 4.509 4.320 -0.000 0.000 0.194 416 K C 1.770 178.314 176.600 -0.093 0.000 1.031 416 K CA 0.545 56.821 56.287 -0.020 0.000 1.037 416 K CB 0.070 32.562 32.500 -0.013 0.000 0.824 416 K HN 0.320 nan 8.250 nan 0.000 0.516 417 G N 0.809 109.499 108.800 -0.184 0.000 2.508 417 G HA2 0.034 3.994 3.960 -0.000 0.000 0.217 417 G HA3 0.034 3.994 3.960 -0.000 0.000 0.217 417 G C 1.142 175.924 174.900 -0.197 0.000 2.004 417 G CA -0.337 44.632 45.100 -0.218 0.000 0.750 417 G HN -0.036 nan 8.290 nan 0.000 0.730 418 I N 1.109 121.512 120.570 -0.278 0.000 2.194 418 I HA -0.156 4.014 4.170 -0.000 0.000 0.246 418 I C 2.557 178.594 176.117 -0.133 0.000 1.093 418 I CA 1.088 62.258 61.300 -0.217 0.000 1.355 418 I CB -0.116 37.715 38.000 -0.280 0.000 1.046 418 I HN 0.101 nan 8.210 nan 0.000 0.413 419 L N -0.257 120.910 121.223 -0.093 0.000 2.478 419 L HA -0.054 4.285 4.340 -0.000 0.000 0.223 419 L C 0.945 177.818 176.870 0.005 0.000 1.140 419 L CA 0.086 54.926 54.840 0.001 0.000 0.842 419 L CB -0.470 41.663 42.059 0.123 0.000 0.953 419 L HN 0.273 nan 8.230 nan 0.000 0.452 420 Q N 0.715 120.502 119.800 -0.023 0.000 2.361 420 Q HA 0.105 4.445 4.340 -0.000 0.000 0.276 420 Q C 1.130 177.117 176.000 -0.021 0.000 1.022 420 Q CA 1.073 56.865 55.803 -0.018 0.000 0.898 420 Q CB 0.608 29.328 28.738 -0.031 0.000 1.246 420 Q HN 0.406 nan 8.270 nan 0.000 0.410 421 G N 1.853 110.647 108.800 -0.011 0.000 2.160 421 G HA2 -0.265 3.695 3.960 -0.000 0.000 0.251 421 G HA3 -0.265 3.695 3.960 -0.000 0.000 0.251 421 G C 0.199 175.093 174.900 -0.010 0.000 1.008 421 G CA 0.657 45.749 45.100 -0.013 0.000 0.724 421 G HN 0.793 nan 8.290 nan 0.000 0.514 422 T N -2.568 111.987 114.554 0.001 0.000 2.924 422 T HA 0.615 4.965 4.350 -0.000 0.000 0.291 422 T C -0.937 173.781 174.700 0.029 0.000 1.045 422 T CA -0.716 61.387 62.100 0.005 0.000 1.015 422 T CB 2.566 71.430 68.868 -0.006 0.000 1.103 422 T HN -0.065 nan 8.240 nan 0.000 0.496 423 D N 1.940 122.358 120.400 0.031 0.000 2.365 423 D HA 0.347 4.987 4.640 -0.000 0.000 0.237 423 D C -0.076 176.274 176.300 0.084 0.000 1.190 423 D CA -0.127 53.903 54.000 0.050 0.000 0.867 423 D CB 0.519 41.342 40.800 0.039 0.000 1.050 423 D HN 0.500 nan 8.370 nan 0.000 0.491 424 I N 2.295 122.931 120.570 0.111 0.000 2.342 424 I HA 0.200 4.370 4.170 -0.000 0.000 0.291 424 I C -0.083 176.121 176.117 0.147 0.000 1.010 424 I CA -0.720 60.681 61.300 0.169 0.000 1.308 424 I CB 1.502 39.607 38.000 0.174 0.000 1.400 424 I HN -0.095 nan 8.210 nan 0.000 0.488 425 V N 5.200 125.220 119.914 0.176 0.000 2.444 425 V HA 0.867 4.987 4.120 -0.000 0.000 0.294 425 V C 0.205 176.392 176.094 0.155 0.000 1.022 425 V CA -0.441 61.950 62.300 0.152 0.000 0.850 425 V CB 1.233 33.142 31.823 0.143 0.000 0.992 425 V HN 1.084 nan 8.190 nan 0.000 0.426 426 G N 6.074 114.940 108.800 0.110 0.000 2.640 426 G HA2 0.062 4.022 3.960 -0.000 0.000 0.686 426 G HA3 0.062 4.022 3.960 -0.000 0.000 0.686 426 G C -3.279 171.577 174.900 -0.072 0.000 1.229 426 G CA -0.937 44.191 45.100 0.048 0.000 0.796 426 G HN 0.604 nan 8.290 nan 0.000 0.654 427 P HA 0.477 nan 4.420 nan 0.000 0.275 427 P C -0.098 177.023 177.300 -0.299 0.000 1.228 427 P CA -0.259 62.738 63.100 -0.172 0.000 0.786 427 P CB 0.768 32.407 31.700 -0.102 0.000 0.927 428 L N 3.599 124.630 121.223 -0.320 0.000 2.295 428 L HA 0.486 4.826 4.340 -0.000 0.000 0.281 428 L C 0.260 176.999 176.870 -0.218 0.000 1.018 428 L CA -0.492 54.172 54.840 -0.294 0.000 0.841 428 L CB 0.574 42.447 42.059 -0.309 0.000 1.218 428 L HN 0.218 nan 8.230 nan 0.000 0.424 429 I N 3.753 124.267 120.570 -0.095 0.000 2.377 429 I HA 0.535 4.705 4.170 -0.000 0.000 0.293 429 I C -0.490 175.713 176.117 0.143 0.000 0.987 429 I CA -0.813 60.519 61.300 0.054 0.000 1.185 429 I CB 2.163 40.228 38.000 0.108 0.000 1.341 429 I HN 0.212 nan 8.210 nan 0.000 0.455 430 V N 7.204 127.283 119.914 0.276 0.000 2.668 430 V HA 0.497 4.617 4.120 -0.000 0.000 0.304 430 V C -1.372 175.005 176.094 0.472 0.000 1.071 430 V CA -0.661 61.843 62.300 0.339 0.000 0.894 430 V CB 1.757 33.851 31.823 0.453 0.000 1.008 430 V HN 0.697 nan 8.190 nan 0.000 0.425 431 Y N 4.044 124.514 120.300 0.283 0.000 2.565 431 Y HA 0.820 5.370 4.550 -0.000 0.000 0.330 431 Y C -3.260 172.501 175.900 -0.231 0.000 1.150 431 Y CA -2.649 55.480 58.100 0.048 0.000 1.055 431 Y CB 1.855 40.286 38.460 -0.048 0.000 1.337 431 Y HN 0.419 nan 8.280 nan 0.000 0.457 432 P HA 0.414 nan 4.420 nan 0.000 0.277 432 P C -1.028 176.036 177.300 -0.393 0.000 1.240 432 P CA -0.107 62.454 63.100 -0.898 0.000 0.798 432 P CB 2.132 33.254 31.700 -0.962 0.000 0.979 433 L N 2.205 123.104 121.223 -0.541 0.000 2.354 433 L HA 0.468 4.808 4.340 -0.000 0.000 0.264 433 L C 0.297 176.830 176.870 -0.562 0.000 1.008 433 L CA -0.849 53.719 54.840 -0.454 0.000 0.819 433 L CB 1.858 43.552 42.059 -0.609 0.000 1.339 433 L HN 0.229 nan 8.230 nan 0.000 0.420 434 N N 1.548 120.111 118.700 -0.229 0.000 2.437 434 N HA 0.145 4.885 4.740 -0.000 0.000 0.259 434 N C 0.384 175.893 175.510 -0.002 0.000 0.983 434 N CA -0.315 52.675 53.050 -0.101 0.000 0.937 434 N CB 2.273 40.835 38.487 0.126 0.000 1.122 434 N HN 0.569 nan 8.380 nan 0.000 0.499 435 K N 1.453 121.820 120.400 -0.054 0.000 2.152 435 K HA -0.172 4.148 4.320 -0.000 0.000 0.206 435 K C 1.639 178.388 176.600 0.248 0.000 1.048 435 K CA 1.504 57.884 56.287 0.155 0.000 0.933 435 K CB 0.114 32.721 32.500 0.179 0.000 0.721 435 K HN 0.557 nan 8.250 nan 0.000 0.447 436 S N -0.046 115.763 115.700 0.181 0.000 2.440 436 S HA -0.143 4.326 4.470 -0.000 0.000 0.240 436 S C 1.597 176.312 174.600 0.190 0.000 1.014 436 S CA 1.017 59.318 58.200 0.168 0.000 0.980 436 S CB -0.118 63.166 63.200 0.140 0.000 0.775 436 S HN 0.234 nan 8.310 nan 0.000 0.499 437 M N -0.398 119.342 119.600 0.233 0.000 2.428 437 M HA 0.384 4.864 4.480 -0.000 0.000 0.239 437 M C -0.856 175.480 176.300 0.060 0.000 1.121 437 M CA -0.407 54.966 55.300 0.121 0.000 1.019 437 M CB -0.894 31.717 32.600 0.019 0.000 1.485 437 M HN 0.375 nan 8.290 nan 0.000 0.484 438 W N 0.539 121.858 121.300 0.031 0.000 2.551 438 W HA 0.344 5.003 4.660 -0.000 0.000 0.330 438 W C 0.090 176.640 176.519 0.052 0.000 1.063 438 W CA -0.785 56.585 57.345 0.041 0.000 1.222 438 W CB 0.623 30.119 29.460 0.060 0.000 1.349 438 W HN -0.082 nan 8.180 nan 0.000 0.536 439 D N 2.077 122.625 120.400 0.247 0.000 2.396 439 D HA 0.017 4.656 4.640 -0.000 0.000 0.225 439 D C 0.494 176.918 176.300 0.207 0.000 1.121 439 D CA 0.046 54.156 54.000 0.184 0.000 0.853 439 D CB 0.872 41.749 40.800 0.128 0.000 1.043 439 D HN 0.386 nan 8.370 nan 0.000 0.500 440 D N 1.927 122.434 120.400 0.179 0.000 2.371 440 D HA -0.001 4.639 4.640 -0.000 0.000 0.221 440 D C 1.912 178.299 176.300 0.145 0.000 0.986 440 D CA 0.674 54.768 54.000 0.156 0.000 0.899 440 D CB 0.170 41.037 40.800 0.112 0.000 0.902 440 D HN 0.606 nan 8.370 nan 0.000 0.530 441 G N -0.524 108.354 108.800 0.131 0.000 2.572 441 G HA2 -0.022 3.937 3.960 -0.000 0.000 0.216 441 G HA3 -0.022 3.937 3.960 -0.000 0.000 0.216 441 G C 0.796 175.769 174.900 0.121 0.000 1.133 441 G CA -0.075 45.093 45.100 0.115 0.000 0.791 441 G HN 0.208 nan 8.290 nan 0.000 0.538 442 M N 0.253 119.938 119.600 0.141 0.000 2.202 442 M HA 0.198 4.677 4.480 -0.000 0.000 0.316 442 M C 1.712 178.154 176.300 0.236 0.000 1.138 442 M CA -0.341 55.043 55.300 0.141 0.000 1.151 442 M CB 1.310 33.980 32.600 0.117 0.000 1.422 442 M HN -0.057 nan 8.290 nan 0.000 0.471 443 S N 0.819 116.696 115.700 0.296 0.000 2.423 443 S HA 0.022 4.492 4.470 -0.000 0.000 0.231 443 S C 0.804 175.759 174.600 0.592 0.000 1.014 443 S CA 0.542 59.042 58.200 0.501 0.000 0.965 443 S CB -0.317 63.290 63.200 0.679 0.000 0.785 443 S HN 0.779 nan 8.310 nan 0.000 0.495 444 A N 1.391 124.499 122.820 0.480 0.000 2.540 444 A HA 0.518 4.838 4.320 -0.000 0.000 0.239 444 A C 0.298 178.085 177.584 0.338 0.000 1.061 444 A CA 0.130 52.457 52.037 0.484 0.000 0.758 444 A CB -0.036 19.287 19.000 0.538 0.000 0.991 444 A HN 0.441 nan 8.150 nan 0.000 0.502 445 A N 2.797 125.733 122.820 0.193 0.000 2.288 445 A HA 0.737 5.057 4.320 -0.000 0.000 0.320 445 A C 0.399 177.832 177.584 -0.251 0.000 1.217 445 A CA 0.174 52.153 52.037 -0.096 0.000 0.840 445 A CB 0.511 19.212 19.000 -0.498 0.000 1.179 445 A HN 1.582 nan 8.150 nan 0.000 0.504 446 T N 0.436 114.739 114.554 -0.417 0.000 2.916 446 T HA 0.779 5.129 4.350 -0.000 0.000 0.292 446 T C -3.040 171.249 174.700 -0.684 0.000 1.064 446 T CA -2.084 59.507 62.100 -0.848 0.000 1.011 446 T CB 1.367 69.416 68.868 -1.366 0.000 1.152 446 T HN 0.306 nan 8.240 nan 0.000 0.510 447 P HA 0.148 nan 4.420 nan 0.000 0.271 447 P C 0.970 178.080 177.300 -0.316 0.000 1.233 447 P CA -0.382 62.442 63.100 -0.459 0.000 0.789 447 P CB 0.407 31.886 31.700 -0.368 0.000 0.951 448 S N -1.137 114.473 115.700 -0.149 0.000 2.461 448 S HA -0.029 4.440 4.470 -0.000 0.000 0.228 448 S C 0.514 175.111 174.600 -0.005 0.000 1.005 448 S CA 0.353 58.510 58.200 -0.071 0.000 0.942 448 S CB -0.578 62.594 63.200 -0.048 0.000 0.776 448 S HN 0.438 nan 8.310 nan 0.000 0.514 449 E N 1.454 121.673 120.200 0.032 0.000 2.373 449 E HA 0.124 4.474 4.350 -0.000 0.000 0.263 449 E C 0.044 176.719 176.600 0.124 0.000 1.073 449 E CA -0.315 56.133 56.400 0.080 0.000 0.894 449 E CB 0.464 30.221 29.700 0.096 0.000 1.008 449 E HN 0.163 nan 8.360 nan 0.000 0.420 450 D N 0.435 120.882 120.400 0.079 0.000 2.182 450 D HA -0.076 4.564 4.640 -0.000 0.000 0.201 450 D C 0.161 176.468 176.300 0.011 0.000 0.986 450 D CA 1.014 55.049 54.000 0.058 0.000 0.847 450 D CB 0.217 41.039 40.800 0.038 0.000 0.942 450 D HN 0.021 nan 8.370 nan 0.000 0.467 451 V N 1.096 121.014 119.914 0.007 0.000 2.588 451 V HA 0.439 4.559 4.120 -0.000 0.000 0.304 451 V C -0.551 175.541 176.094 -0.004 0.000 1.042 451 V CA -0.961 61.267 62.300 -0.120 0.000 0.877 451 V CB 1.629 33.390 31.823 -0.102 0.000 0.996 451 V HN 0.003 nan 8.190 nan 0.000 0.425 452 F N 2.602 122.479 119.950 -0.122 0.000 2.626 452 F HA 0.818 5.345 4.527 -0.000 0.000 0.311 452 F C -1.593 174.154 175.800 -0.089 0.000 1.088 452 F CA -1.533 56.440 58.000 -0.045 0.000 0.949 452 F CB 1.378 40.308 39.000 -0.116 0.000 1.322 452 F HN 0.313 nan 8.300 nan 0.000 0.461 453 Y N 1.620 122.011 120.300 0.152 0.000 2.341 453 Y HA 0.656 5.206 4.550 -0.000 0.000 0.337 453 Y C 0.397 176.359 175.900 0.103 0.000 1.014 453 Y CA -1.020 57.094 58.100 0.023 0.000 1.111 453 Y CB 1.802 40.264 38.460 0.003 0.000 1.194 453 Y HN 0.995 nan 8.280 nan 0.000 0.462 454 A N 3.465 126.291 122.820 0.011 0.000 2.451 454 A HA 0.501 4.821 4.320 -0.000 0.000 0.266 454 A C -0.765 176.737 177.584 -0.136 0.000 1.119 454 A CA -0.276 51.715 52.037 -0.075 0.000 0.786 454 A CB -0.271 18.393 19.000 -0.560 0.000 1.061 454 A HN 0.532 nan 8.150 nan 0.000 0.503 455 V N 3.263 123.120 119.914 -0.095 0.000 2.376 455 V HA 0.394 4.514 4.120 -0.000 0.000 0.287 455 V C 0.017 176.074 176.094 -0.061 0.000 1.015 455 V CA -0.261 61.998 62.300 -0.068 0.000 0.834 455 V CB 1.495 33.184 31.823 -0.222 0.000 1.001 455 V HN 0.822 nan 8.190 nan 0.000 0.428 456 S N 6.286 121.963 115.700 -0.038 0.000 2.667 456 S HA 0.585 5.055 4.470 -0.000 0.000 0.304 456 S C -0.405 174.076 174.600 -0.198 0.000 1.135 456 S CA -0.441 57.700 58.200 -0.098 0.000 1.125 456 S CB 0.682 63.830 63.200 -0.086 0.000 0.996 456 S HN 0.554 nan 8.310 nan 0.000 0.474 457 L N 4.582 125.665 121.223 -0.233 0.000 2.287 457 L HA 0.431 4.771 4.340 -0.000 0.000 0.280 457 L C -0.342 176.055 176.870 -0.788 0.000 1.055 457 L CA -0.318 54.224 54.840 -0.495 0.000 0.863 457 L CB 0.268 42.133 42.059 -0.324 0.000 1.245 457 L HN 0.481 nan 8.230 nan 0.000 0.432 458 L N 3.811 124.505 121.223 -0.881 0.000 2.719 458 L HA 0.307 4.647 4.340 -0.000 0.000 0.236 458 L C -0.296 176.318 176.870 -0.427 0.000 1.285 458 L CA -0.402 53.749 54.840 -1.150 0.000 1.222 458 L CB -0.696 40.553 42.059 -1.350 0.000 1.493 458 L HN 0.380 nan 8.230 nan 0.000 0.415 459 F N 0.042 120.064 119.950 0.120 0.000 2.578 459 F HA 0.065 4.592 4.527 -0.000 0.000 0.376 459 F C 1.199 177.214 175.800 0.358 0.000 1.085 459 F CA 0.439 58.568 58.000 0.215 0.000 1.260 459 F CB 0.435 39.530 39.000 0.158 0.000 1.095 459 F HN 0.157 nan 8.300 nan 0.000 0.573 460 S N 2.022 117.966 115.700 0.407 0.000 2.451 460 S HA 0.389 4.859 4.470 -0.000 0.000 0.301 460 S C 0.036 174.703 174.600 0.111 0.000 1.116 460 S CA -0.709 57.633 58.200 0.237 0.000 1.093 460 S CB 1.618 64.943 63.200 0.207 0.000 1.017 460 S HN 0.668 nan 8.310 nan 0.000 0.482 466 D N 1.224 121.598 120.400 -0.043 0.000 2.144 466 D HA -0.068 4.572 4.640 -0.000 0.000 0.200 466 D C 1.905 178.168 176.300 -0.062 0.000 0.978 466 D CA 0.721 54.692 54.000 -0.048 0.000 0.833 466 D CB 0.188 40.966 40.800 -0.036 0.000 0.961 466 D HN 0.201 nan 8.370 nan 0.000 0.470 467 L N 0.631 121.817 121.223 -0.062 0.000 1.989 467 L HA -0.081 4.259 4.340 -0.000 0.000 0.211 467 L C 2.126 178.955 176.870 -0.068 0.000 1.071 467 L CA 2.237 57.036 54.840 -0.068 0.000 0.749 467 L CB -1.102 40.914 42.059 -0.072 0.000 0.890 467 L HN 0.031 nan 8.230 nan 0.000 0.431 468 A N -0.401 122.382 122.820 -0.060 0.000 1.908 468 A HA -0.276 4.044 4.320 -0.000 0.000 0.218 468 A C 2.557 180.099 177.584 -0.070 0.000 1.181 468 A CA 1.950 53.953 52.037 -0.058 0.000 0.627 468 A CB -0.731 18.241 19.000 -0.048 0.000 0.818 468 A HN 0.543 nan 8.150 nan 0.000 0.445 469 R N -0.392 120.062 120.500 -0.076 0.000 2.083 469 R HA -0.108 4.232 4.340 -0.000 0.000 0.237 469 R C 2.023 178.243 176.300 -0.134 0.000 1.137 469 R CA 1.797 57.841 56.100 -0.093 0.000 0.951 469 R CB -0.431 29.817 30.300 -0.086 0.000 0.851 469 R HN 0.526 nan 8.270 nan 0.000 0.434 470 L N 0.466 121.597 121.223 -0.153 0.000 2.093 470 L HA -0.181 4.159 4.340 -0.000 0.000 0.208 470 L C 2.691 179.448 176.870 -0.188 0.000 1.085 470 L CA 1.429 56.126 54.840 -0.239 0.000 0.755 470 L CB -0.348 41.586 42.059 -0.209 0.000 0.904 470 L HN 0.325 nan 8.230 nan 0.000 0.435 471 Q N -0.470 119.264 119.800 -0.111 0.000 2.084 471 Q HA -0.262 4.078 4.340 -0.000 0.000 0.202 471 Q C 2.119 178.073 176.000 -0.078 0.000 0.978 471 Q CA 1.660 57.418 55.803 -0.075 0.000 0.844 471 Q CB -0.049 28.657 28.738 -0.054 0.000 0.898 471 Q HN 0.311 nan 8.270 nan 0.000 0.426 472 E N 1.123 121.272 120.200 -0.085 0.000 2.077 472 E HA -0.249 4.101 4.350 -0.000 0.000 0.193 472 E C 1.871 178.414 176.600 -0.095 0.000 0.989 472 E CA 1.576 57.930 56.400 -0.077 0.000 0.800 472 E CB -0.095 29.562 29.700 -0.072 0.000 0.746 472 E HN 0.326 nan 8.360 nan 0.000 0.452 473 Q N -0.238 119.479 119.800 -0.138 0.000 2.096 473 Q HA -0.196 4.144 4.340 -0.000 0.000 0.204 473 Q C 1.691 177.605 176.000 -0.144 0.000 0.982 473 Q CA 1.783 57.483 55.803 -0.171 0.000 0.850 473 Q CB -0.132 28.441 28.738 -0.274 0.000 0.901 473 Q HN 0.247 nan 8.270 nan 0.000 0.422 474 N N 0.366 118.990 118.700 -0.127 0.000 2.120 474 N HA -0.128 4.612 4.740 -0.000 0.000 0.188 474 N C 1.666 177.155 175.510 -0.035 0.000 1.024 474 N CA 1.201 54.222 53.050 -0.048 0.000 0.852 474 N CB -0.240 38.245 38.487 -0.002 0.000 1.003 474 N HN 0.247 nan 8.380 nan 0.000 0.424 475 R N 0.603 121.079 120.500 -0.040 0.000 2.091 475 R HA -0.062 4.277 4.340 -0.000 0.000 0.238 475 R C 2.280 178.564 176.300 -0.027 0.000 1.136 475 R CA 1.209 57.292 56.100 -0.028 0.000 0.959 475 R CB -0.159 30.123 30.300 -0.030 0.000 0.856 475 R HN 0.222 nan 8.270 nan 0.000 0.437 476 R N 0.860 121.333 120.500 -0.044 0.000 2.075 476 R HA -0.095 4.245 4.340 -0.000 0.000 0.232 476 R C 2.126 178.409 176.300 -0.028 0.000 1.126 476 R CA 1.367 57.442 56.100 -0.041 0.000 0.963 476 R CB -0.206 30.053 30.300 -0.068 0.000 0.858 476 R HN 0.164 nan 8.270 nan 0.000 0.435 477 I N 0.771 121.306 120.570 -0.059 0.000 2.179 477 I HA -0.321 3.849 4.170 -0.000 0.000 0.242 477 I C 2.155 178.272 176.117 0.000 0.000 1.088 477 I CA 1.294 62.553 61.300 -0.069 0.000 1.357 477 I CB -0.226 37.719 38.000 -0.091 0.000 1.051 477 I HN 0.238 nan 8.210 nan 0.000 0.409 478 L N -0.034 121.172 121.223 -0.028 0.000 2.083 478 L HA -0.192 4.147 4.340 -0.000 0.000 0.209 478 L C 2.784 179.667 176.870 0.022 0.000 1.083 478 L CA 1.269 56.082 54.840 -0.045 0.000 0.752 478 L CB -0.589 41.459 42.059 -0.017 0.000 0.899 478 L HN 0.190 nan 8.230 nan 0.000 0.433 479 R N -0.520 119.996 120.500 0.027 0.000 2.081 479 R HA -0.208 4.132 4.340 -0.000 0.000 0.235 479 R C 2.330 178.647 176.300 0.028 0.000 1.131 479 R CA 1.881 57.997 56.100 0.026 0.000 0.960 479 R CB -0.542 29.768 30.300 0.017 0.000 0.856 479 R HN 0.251 nan 8.270 nan 0.000 0.436 480 F N 0.999 120.898 119.950 -0.084 0.000 2.095 480 F HA -0.291 4.235 4.527 -0.000 0.000 0.298 480 F C 2.224 177.985 175.800 -0.066 0.000 1.104 480 F CA 1.375 59.314 58.000 -0.103 0.000 1.232 480 F CB -0.570 38.321 39.000 -0.181 0.000 0.987 480 F HN -0.035 nan 8.300 nan 0.000 0.475 481 C N 0.972 120.128 119.300 -0.240 0.000 2.429 481 C HA -0.174 4.286 4.460 -0.000 0.000 0.277 481 C C 2.505 177.435 174.990 -0.100 0.000 1.262 481 C CA 1.290 60.171 59.018 -0.229 0.000 1.733 481 C CB -1.191 26.545 27.740 -0.007 0.000 2.010 481 C HN 0.534 nan 8.230 nan 0.000 0.483 482 D N 0.480 120.885 120.400 0.009 0.000 2.117 482 D HA -0.096 4.544 4.640 -0.000 0.000 0.197 482 D C 1.908 178.160 176.300 -0.081 0.000 0.987 482 D CA 0.926 54.934 54.000 0.014 0.000 0.829 482 D CB -0.513 40.307 40.800 0.034 0.000 0.961 482 D HN 0.322 nan 8.370 nan 0.000 0.460 483 L N 0.560 121.705 121.223 -0.129 0.000 2.141 483 L HA -0.001 4.339 4.340 -0.000 0.000 0.209 483 L C 2.000 178.759 176.870 -0.185 0.000 1.094 483 L CA 1.167 55.927 54.840 -0.133 0.000 0.763 483 L CB -0.288 41.707 42.059 -0.107 0.000 0.908 483 L HN -0.057 nan 8.230 nan 0.000 0.437 484 A N -1.064 121.559 122.820 -0.329 0.000 2.206 484 A HA 0.299 4.619 4.320 -0.000 0.000 0.211 484 A C 1.684 179.158 177.584 -0.184 0.000 1.158 484 A CA 0.637 52.476 52.037 -0.330 0.000 0.761 484 A CB -0.875 17.738 19.000 -0.645 0.000 0.801 484 A HN 0.673 nan 8.150 nan 0.000 0.473 485 G N -0.563 108.155 108.800 -0.137 0.000 2.176 485 G HA2 -0.238 3.722 3.960 -0.000 0.000 0.252 485 G HA3 -0.238 3.722 3.960 -0.000 0.000 0.252 485 G C 0.052 174.921 174.900 -0.052 0.000 1.024 485 G CA 0.289 45.340 45.100 -0.081 0.000 0.755 485 G HN 0.507 nan 8.290 nan 0.000 0.507 486 I N 0.664 121.219 120.570 -0.026 0.000 2.452 486 I HA 0.106 4.276 4.170 -0.000 0.000 0.287 486 I C 0.694 176.857 176.117 0.077 0.000 1.079 486 I CA -0.191 61.144 61.300 0.058 0.000 1.387 486 I CB 0.959 39.036 38.000 0.128 0.000 1.404 486 I HN 0.003 nan 8.210 nan 0.000 0.522 487 Q N 7.367 127.170 119.800 0.005 0.000 3.181 487 Q HA 0.104 4.444 4.340 -0.000 0.000 0.293 487 Q C -0.625 175.320 176.000 -0.091 0.000 1.406 487 Q CA -0.190 55.552 55.803 -0.102 0.000 1.026 487 Q CB -0.683 27.999 28.738 -0.094 0.000 1.630 487 Q HN 0.516 nan 8.270 nan 0.000 0.553 488 Y N -1.136 119.139 120.300 -0.041 0.000 2.299 488 Y HA 0.505 5.055 4.550 -0.000 0.000 0.335 488 Y C 0.087 175.952 175.900 -0.059 0.000 1.287 488 Y CA -0.858 57.221 58.100 -0.036 0.000 1.424 488 Y CB 0.858 39.317 38.460 -0.002 0.000 1.326 488 Y HN -0.187 nan 8.280 nan 0.000 0.567 489 K N 1.831 122.300 120.400 0.115 0.000 2.324 489 K HA 0.280 4.600 4.320 -0.000 0.000 0.253 489 K C -0.544 176.210 176.600 0.257 0.000 0.932 489 K CA -0.574 55.753 56.287 0.067 0.000 0.799 489 K CB 1.851 34.320 32.500 -0.052 0.000 1.154 489 K HN 0.980 nan 8.250 nan 0.000 0.425 490 T N -0.705 114.055 114.554 0.343 0.000 2.860 490 T HA 0.298 4.648 4.350 -0.000 0.000 0.299 490 T C -0.317 174.509 174.700 0.209 0.000 1.045 490 T CA -0.261 61.977 62.100 0.228 0.000 1.071 490 T CB 0.545 69.511 68.868 0.162 0.000 0.985 490 T HN 0.442 nan 8.240 nan 0.000 0.537 491 Y N 1.924 122.149 120.300 -0.126 0.000 2.457 491 Y HA 0.482 5.031 4.550 -0.000 0.000 0.343 491 Y C 0.392 176.276 175.900 -0.027 0.000 0.994 491 Y CA -2.179 55.861 58.100 -0.100 0.000 1.031 491 Y CB 0.906 39.083 38.460 -0.472 0.000 1.246 491 Y HN 0.790 nan 8.280 nan 0.000 0.449 492 L N 2.419 123.373 121.223 -0.449 0.000 4.884 492 L HA -0.277 4.063 4.340 -0.000 0.000 0.430 492 L C 0.108 176.880 176.870 -0.163 0.000 1.087 492 L CA 0.991 55.615 54.840 -0.359 0.000 1.033 492 L CB -1.764 40.059 42.059 -0.392 0.000 2.030 492 L HN 0.690 nan 8.230 nan 0.000 0.762 493 A N 0.597 123.313 122.820 -0.174 0.000 2.312 493 A HA 0.792 5.112 4.320 -0.000 0.000 0.328 493 A C 0.299 177.681 177.584 -0.337 0.000 1.158 493 A CA -0.413 51.475 52.037 -0.249 0.000 0.821 493 A CB 0.954 19.764 19.000 -0.316 0.000 1.170 493 A HN 0.331 nan 8.150 nan 0.000 0.490 494 R N 1.082 121.414 120.500 -0.280 0.000 2.474 494 R HA 0.677 5.017 4.340 -0.000 0.000 0.295 494 R C -0.920 175.074 176.300 -0.510 0.000 0.980 494 R CA -0.365 55.638 56.100 -0.161 0.000 0.934 494 R CB 0.463 30.828 30.300 0.108 0.000 1.101 494 R HN 0.779 nan 8.270 nan 0.000 0.469 495 H N -0.252 118.480 119.070 -0.563 0.000 2.544 495 H HA 0.343 4.899 4.556 -0.000 0.000 0.342 495 H C 0.318 175.544 175.328 -0.169 0.000 1.185 495 H CA -0.141 55.495 56.048 -0.687 0.000 1.264 495 H CB 2.057 30.930 29.762 -1.483 0.000 1.607 495 H HN 0.901 nan 8.280 nan 0.000 0.550 496 T N -2.799 111.764 114.554 0.016 0.000 3.043 496 T HA 0.147 4.497 4.350 -0.000 0.000 0.272 496 T C -0.306 174.456 174.700 0.103 0.000 0.990 496 T CA -0.373 61.787 62.100 0.100 0.000 0.897 496 T CB -0.157 68.741 68.868 0.050 0.000 1.111 496 T HN 0.658 nan 8.240 nan 0.000 0.529 497 D N -0.512 119.930 120.400 0.070 0.000 2.570 497 D HA 0.363 5.003 4.640 -0.000 0.000 0.244 497 D C 0.957 177.302 176.300 0.074 0.000 1.178 497 D CA -1.173 52.866 54.000 0.065 0.000 0.881 497 D CB 1.520 42.324 40.800 0.007 0.000 1.453 497 D HN -0.128 nan 8.370 nan 0.000 0.447 498 R N 0.293 120.818 120.500 0.041 0.000 2.096 498 R HA -0.194 4.146 4.340 -0.000 0.000 0.240 498 R C 1.667 177.861 176.300 -0.176 0.000 1.139 498 R CA 2.475 58.548 56.100 -0.045 0.000 0.952 498 R CB -0.445 29.825 30.300 -0.050 0.000 0.854 498 R HN 0.614 nan 8.270 nan 0.000 0.436 499 S N 0.498 116.106 115.700 -0.153 0.000 2.382 499 S HA -0.147 4.323 4.470 -0.000 0.000 0.228 499 S C 1.438 175.895 174.600 -0.238 0.000 1.027 499 S CA 1.467 59.550 58.200 -0.194 0.000 0.991 499 S CB -0.356 62.761 63.200 -0.138 0.000 0.823 499 S HN 0.352 nan 8.310 nan 0.000 0.469 500 D N 0.688 120.932 120.400 -0.261 0.000 2.117 500 D HA -0.036 4.604 4.640 -0.000 0.000 0.197 500 D C 1.474 177.442 176.300 -0.553 0.000 0.987 500 D CA 0.938 54.662 54.000 -0.461 0.000 0.829 500 D CB -0.443 40.033 40.800 -0.539 0.000 0.961 500 D HN 0.616 nan 8.370 nan 0.000 0.460 501 W N 0.688 121.803 121.300 -0.309 0.000 2.388 501 W HA -0.104 4.556 4.660 -0.000 0.000 0.294 501 W C 2.389 178.816 176.519 -0.154 0.000 1.212 501 W CA 0.227 57.471 57.345 -0.168 0.000 1.271 501 W CB -0.219 29.210 29.460 -0.052 0.000 1.126 501 W HN -0.200 nan 8.180 nan 0.000 0.535 502 V N 0.479 120.236 119.914 -0.262 0.000 2.358 502 V HA -0.305 3.815 4.120 -0.000 0.000 0.246 502 V C 2.307 178.350 176.094 -0.085 0.000 1.047 502 V CA 2.085 64.152 62.300 -0.389 0.000 1.035 502 V CB -0.815 30.604 31.823 -0.674 0.000 0.658 502 V HN 0.170 nan 8.190 nan 0.000 0.452 503 R N -0.737 119.670 120.500 -0.154 0.000 2.081 503 R HA -0.220 4.120 4.340 -0.000 0.000 0.235 503 R C 2.503 178.717 176.300 -0.144 0.000 1.131 503 R CA 1.834 57.837 56.100 -0.161 0.000 0.960 503 R CB -0.534 29.623 30.300 -0.239 0.000 0.856 503 R HN 0.699 nan 8.270 nan 0.000 0.436 504 H N -0.525 118.389 119.070 -0.260 0.000 2.290 504 H HA -0.181 4.375 4.556 -0.000 0.000 0.298 504 H C 1.483 176.677 175.328 -0.223 0.000 1.087 504 H CA 2.302 58.172 56.048 -0.298 0.000 1.291 504 H CB -0.118 29.429 29.762 -0.359 0.000 1.369 504 H HN 0.237 nan 8.280 nan 0.000 0.492 505 F N 0.254 120.276 119.950 0.121 0.000 2.416 505 F HA 0.186 4.713 4.527 -0.000 0.000 0.296 505 F C 1.702 177.536 175.800 0.058 0.000 1.099 505 F CA 1.023 59.084 58.000 0.102 0.000 1.427 505 F CB -0.192 38.984 39.000 0.292 0.000 1.079 505 F HN 0.439 nan 8.300 nan 0.000 0.536 506 G N -0.165 108.754 108.800 0.199 0.000 2.733 506 G HA2 0.028 3.987 3.960 -0.000 0.000 0.686 506 G HA3 0.028 3.987 3.960 -0.000 0.000 0.686 506 G C 0.750 175.783 174.900 0.222 0.000 1.373 506 G CA -0.499 44.679 45.100 0.130 0.000 0.838 506 G HN 0.502 nan 8.290 nan 0.000 0.588 507 A N 0.838 123.750 122.820 0.153 0.000 1.883 507 A HA 0.234 4.554 4.320 -0.000 0.000 0.217 507 A C 2.988 180.719 177.584 0.244 0.000 1.186 507 A CA 3.671 55.825 52.037 0.195 0.000 0.624 507 A CB -0.954 18.117 19.000 0.118 0.000 0.822 507 A HN 2.536 nan 8.150 nan 0.000 0.444 508 A N -0.539 122.387 122.820 0.176 0.000 1.877 508 A HA -0.143 4.177 4.320 -0.000 0.000 0.216 508 A C 2.139 179.828 177.584 0.173 0.000 1.186 508 A CA 1.815 53.943 52.037 0.152 0.000 0.620 508 A CB -0.409 18.656 19.000 0.107 0.000 0.822 508 A HN 0.530 nan 8.150 nan 0.000 0.443 509 K N -1.296 119.232 120.400 0.213 0.000 2.155 509 K HA -0.120 4.200 4.320 -0.000 0.000 0.203 509 K C 1.918 178.648 176.600 0.217 0.000 1.052 509 K CA 0.996 57.419 56.287 0.225 0.000 0.948 509 K CB -0.225 32.452 32.500 0.295 0.000 0.728 509 K HN 0.808 nan 8.250 nan 0.000 0.448 510 W N 2.613 123.990 121.300 0.129 0.000 2.355 510 W HA -0.228 4.432 4.660 -0.000 0.000 0.309 510 W C 1.570 178.171 176.519 0.138 0.000 1.206 510 W CA 1.422 58.819 57.345 0.087 0.000 1.284 510 W CB -0.449 29.104 29.460 0.154 0.000 1.145 510 W HN 0.141 nan 8.180 nan 0.000 0.502 511 N N 1.057 119.834 118.700 0.129 0.000 2.104 511 N HA -0.256 4.484 4.740 -0.000 0.000 0.190 511 N C 1.909 177.382 175.510 -0.062 0.000 1.024 511 N CA 1.826 54.884 53.050 0.014 0.000 0.853 511 N CB -0.331 38.233 38.487 0.129 0.000 1.008 511 N HN 0.030 nan 8.380 nan 0.000 0.424 512 R N 0.491 120.987 120.500 -0.007 0.000 2.081 512 R HA -0.073 4.267 4.340 -0.000 0.000 0.235 512 R C 2.075 178.326 176.300 -0.081 0.000 1.131 512 R CA 1.229 57.313 56.100 -0.028 0.000 0.960 512 R CB -1.341 28.971 30.300 0.021 0.000 0.856 512 R HN 0.247 nan 8.270 nan 0.000 0.436 513 F N -0.110 119.680 119.950 -0.266 0.000 2.126 513 F HA -0.191 4.336 4.527 -0.000 0.000 0.299 513 F C 2.058 177.735 175.800 -0.204 0.000 1.096 513 F CA 1.719 59.556 58.000 -0.272 0.000 1.255 513 F CB -0.294 38.362 39.000 -0.574 0.000 0.997 513 F HN -0.123 nan 8.300 nan 0.000 0.479 514 V N -0.009 119.755 119.914 -0.248 0.000 2.343 514 V HA -0.305 3.815 4.120 -0.000 0.000 0.247 514 V C 2.346 178.327 176.094 -0.189 0.000 1.051 514 V CA 2.217 64.379 62.300 -0.230 0.000 1.036 514 V CB -0.703 30.949 31.823 -0.285 0.000 0.654 514 V HN 0.388 nan 8.190 nan 0.000 0.451 515 E N -0.352 119.752 120.200 -0.160 0.000 2.085 515 E HA -0.251 4.099 4.350 -0.000 0.000 0.194 515 E C 2.280 178.772 176.600 -0.180 0.000 0.994 515 E CA 1.493 57.808 56.400 -0.142 0.000 0.801 515 E CB -0.056 29.579 29.700 -0.108 0.000 0.743 515 E HN 0.381 nan 8.360 nan 0.000 0.453 516 M N 0.427 119.892 119.600 -0.225 0.000 2.229 516 M HA -0.102 4.377 4.480 -0.000 0.000 0.264 516 M C 2.213 178.462 176.300 -0.085 0.000 1.063 516 M CA 1.185 56.320 55.300 -0.274 0.000 1.114 516 M CB -0.653 31.528 32.600 -0.697 0.000 1.387 516 M HN -0.060 nan 8.290 nan 0.000 0.420 517 K N 1.066 121.441 120.400 -0.041 0.000 2.057 517 K HA -0.080 4.240 4.320 -0.000 0.000 0.207 517 K C 1.642 178.112 176.600 -0.217 0.000 1.049 517 K CA 1.338 57.539 56.287 -0.143 0.000 0.931 517 K CB -0.194 31.882 32.500 -0.706 0.000 0.714 517 K HN 0.225 nan 8.250 nan 0.000 0.440 518 N N 0.598 119.166 118.700 -0.221 0.000 2.166 518 N HA -0.166 4.574 4.740 -0.000 0.000 0.186 518 N C 1.562 176.979 175.510 -0.155 0.000 1.019 518 N CA 1.152 54.097 53.050 -0.176 0.000 0.856 518 N CB -0.101 38.303 38.487 -0.139 0.000 0.993 518 N HN 0.293 nan 8.380 nan 0.000 0.426 519 K N -0.487 119.779 120.400 -0.224 0.000 2.062 519 K HA -0.072 4.248 4.320 -0.000 0.000 0.205 519 K C 0.980 177.350 176.600 -0.384 0.000 1.051 519 K CA 1.123 57.176 56.287 -0.390 0.000 0.941 519 K CB 0.073 32.164 32.500 -0.683 0.000 0.719 519 K HN 0.115 nan 8.250 nan 0.000 0.440 520 Y N -1.127 119.176 120.300 0.005 0.000 2.483 520 Y HA 0.192 4.742 4.550 -0.000 0.000 0.258 520 Y C 0.002 175.831 175.900 -0.120 0.000 1.083 520 Y CA -0.264 57.851 58.100 0.026 0.000 1.283 520 Y CB 0.896 39.393 38.460 0.062 0.000 1.178 520 Y HN 0.023 nan 8.280 nan 0.000 0.515 521 D N -0.092 120.275 120.400 -0.055 0.000 2.968 521 D HA 0.191 4.831 4.640 -0.000 0.000 0.301 521 D C -2.303 173.859 176.300 -0.230 0.000 1.226 521 D CA -1.908 51.987 54.000 -0.174 0.000 0.746 521 D CB 0.774 41.495 40.800 -0.131 0.000 1.278 521 D HN -0.072 nan 8.370 nan 0.000 0.544 522 P HA -0.121 nan 4.420 nan 0.000 0.220 522 P C 0.874 178.093 177.300 -0.134 0.000 1.148 522 P CA 0.706 63.699 63.100 -0.178 0.000 0.803 522 P CB 0.365 31.990 31.700 -0.125 0.000 0.782 523 K N -0.597 119.727 120.400 -0.127 0.000 2.459 523 K HA 0.049 4.369 4.320 -0.000 0.000 0.193 523 K C 0.203 176.783 176.600 -0.034 0.000 1.030 523 K CA -0.093 56.161 56.287 -0.055 0.000 1.026 523 K CB -0.168 32.315 32.500 -0.027 0.000 0.809 523 K HN -0.129 nan 8.250 nan 0.000 0.504 524 R N 0.457 120.903 120.500 -0.090 0.000 3.205 524 R HA -0.159 4.181 4.340 -0.000 0.000 0.249 524 R C 0.414 176.719 176.300 0.009 0.000 0.937 524 R CA 0.187 56.248 56.100 -0.066 0.000 0.641 524 R CB -2.320 27.973 30.300 -0.011 0.000 1.114 524 R HN 0.236 nan 8.270 nan 0.000 0.451 525 L N -0.943 120.280 121.223 0.001 0.000 2.357 525 L HA 0.181 4.521 4.340 -0.000 0.000 0.211 525 L C 0.863 177.744 176.870 0.018 0.000 1.075 525 L CA 0.226 55.099 54.840 0.054 0.000 0.830 525 L CB 0.029 42.135 42.059 0.079 0.000 0.996 525 L HN 0.170 nan 8.230 nan 0.000 0.467 526 L N 0.334 121.547 121.223 -0.016 0.000 2.331 526 L HA 0.179 4.519 4.340 -0.000 0.000 0.278 526 L C 0.524 177.373 176.870 -0.035 0.000 1.106 526 L CA -0.334 54.486 54.840 -0.033 0.000 0.824 526 L CB 1.083 43.172 42.059 0.051 0.000 1.142 526 L HN 0.104 nan 8.230 nan 0.000 0.443 527 S N 2.306 117.954 115.700 -0.086 0.000 3.405 527 S HA -0.095 4.375 4.470 -0.000 0.000 0.373 527 S C -1.407 173.200 174.600 0.012 0.000 0.939 527 S CA 0.193 58.373 58.200 -0.034 0.000 1.295 527 S CB -0.872 62.348 63.200 0.033 0.000 0.919 527 S HN 0.683 nan 8.310 nan 0.000 0.535 528 P HA -0.001 nan 4.420 nan 0.000 0.226 528 P C 1.599 178.946 177.300 0.077 0.000 1.153 528 P CA 1.215 64.354 63.100 0.064 0.000 0.777 528 P CB -0.241 31.501 31.700 0.071 0.000 0.794 529 G N 0.365 109.203 108.800 0.063 0.000 2.559 529 G HA2 -0.188 3.772 3.960 -0.000 0.000 0.216 529 G HA3 -0.188 3.772 3.960 -0.000 0.000 0.216 529 G C 1.529 176.468 174.900 0.064 0.000 1.126 529 G CA 0.194 45.328 45.100 0.058 0.000 0.778 529 G HN 0.228 nan 8.290 nan 0.000 0.543 530 Q N 0.358 120.203 119.800 0.075 0.000 2.369 530 Q HA -0.028 4.312 4.340 -0.000 0.000 0.206 530 Q C 0.506 176.637 176.000 0.220 0.000 0.963 530 Q CA 0.774 56.653 55.803 0.126 0.000 0.894 530 Q CB 0.060 28.813 28.738 0.024 0.000 0.965 530 Q HN 0.415 nan 8.270 nan 0.000 0.475 531 D N -0.755 119.739 120.400 0.158 0.000 2.837 531 D HA -0.205 4.435 4.640 -0.000 0.000 0.230 531 D C 0.624 177.035 176.300 0.185 0.000 1.152 531 D CA 0.541 54.668 54.000 0.211 0.000 0.736 531 D CB -1.376 39.591 40.800 0.278 0.000 1.084 531 D HN 0.367 nan 8.370 nan 0.000 0.429 532 I N -1.559 118.907 120.570 -0.174 0.000 2.429 532 I HA -0.074 4.096 4.170 -0.000 0.000 0.247 532 I C 1.535 177.373 176.117 -0.465 0.000 1.099 532 I CA 0.719 61.637 61.300 -0.637 0.000 1.422 532 I CB -0.067 37.332 38.000 -1.000 0.000 1.112 532 I HN -0.093 nan 8.210 nan 0.000 0.430 533 F N 0.457 120.435 119.950 0.047 0.000 2.683 533 F HA 0.287 4.814 4.527 -0.000 0.000 0.306 533 F C 0.066 175.909 175.800 0.071 0.000 1.102 533 F CA -0.493 57.555 58.000 0.080 0.000 1.244 533 F CB -0.218 38.798 39.000 0.028 0.000 1.029 533 F HN -0.003 nan 8.300 nan 0.000 0.545 534 N N 0.000 118.813 118.700 0.188 0.000 1.763 534 N HA 0.000 4.740 4.740 -0.000 0.000 0.220 534 N CA 0.000 53.139 53.050 0.148 0.000 0.885 534 N CB 0.000 38.564 38.487 0.129 0.000 1.341 534 N HN 0.000 nan 8.380 nan 0.000 0.667