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 1w1s_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 0.000 177.615 177.584 0.052 0.000 1.274 40 A CA 0.000 52.068 52.037 0.051 0.000 0.836 40 A CB 0.000 19.034 19.000 0.057 0.000 0.831 41 L N 0.767 122.028 121.223 0.064 0.000 2.010 41 L HA -0.280 4.060 4.340 -0.000 0.000 0.219 41 L C 3.069 179.975 176.870 0.060 0.000 1.077 41 L CA 2.189 57.069 54.840 0.067 0.000 0.773 41 L CB -0.631 41.479 42.059 0.084 0.000 0.892 41 L HN 0.701 nan 8.230 nan 0.000 0.436 42 A N -0.123 122.731 122.820 0.058 0.000 1.851 42 A HA -0.239 4.081 4.320 -0.000 0.000 0.216 42 A C 2.251 179.855 177.584 0.033 0.000 1.195 42 A CA 1.810 53.874 52.037 0.045 0.000 0.622 42 A CB -0.965 18.059 19.000 0.039 0.000 0.831 42 A HN 0.367 nan 8.150 nan 0.000 0.444 43 L N -0.371 120.871 121.223 0.032 0.000 2.089 43 L HA -0.254 4.086 4.340 -0.000 0.000 0.213 43 L C 1.444 178.326 176.870 0.021 0.000 1.079 43 L CA 1.698 56.552 54.840 0.024 0.000 0.758 43 L CB -0.486 41.588 42.059 0.025 0.000 0.891 43 L HN 0.363 nan 8.230 nan 0.000 0.433 44 D N -0.332 120.084 120.400 0.027 0.000 2.378 44 D HA 0.015 4.655 4.640 -0.000 0.000 0.227 44 D C 1.601 177.914 176.300 0.021 0.000 1.012 44 D CA 1.001 55.016 54.000 0.025 0.000 0.905 44 D CB 0.075 40.895 40.800 0.032 0.000 0.895 44 D HN 0.462 nan 8.370 nan 0.000 0.532 45 G N 1.071 109.883 108.800 0.019 0.000 2.168 45 G HA2 -0.412 3.548 3.960 -0.000 0.000 0.263 45 G HA3 -0.412 3.548 3.960 -0.000 0.000 0.263 45 G C 1.256 176.169 174.900 0.021 0.000 0.977 45 G CA 0.763 45.867 45.100 0.005 0.000 0.659 45 G HN 0.369 nan 8.290 nan 0.000 0.533 46 K N -1.220 119.216 120.400 0.060 0.000 2.228 46 K HA 0.272 4.592 4.320 -0.000 0.000 0.202 46 K C 0.900 177.602 176.600 0.169 0.000 1.051 46 K CA 0.545 56.902 56.287 0.117 0.000 0.960 46 K CB 0.229 32.792 32.500 0.105 0.000 0.743 46 K HN 0.324 nan 8.250 nan 0.000 0.458 47 L N 1.954 123.245 121.223 0.114 0.000 2.283 47 L HA 0.227 4.567 4.340 -0.000 0.000 0.281 47 L C -0.909 176.012 176.870 0.084 0.000 1.033 47 L CA -0.182 54.720 54.840 0.103 0.000 0.848 47 L CB 0.652 42.750 42.059 0.064 0.000 1.226 47 L HN -0.097 nan 8.230 nan 0.000 0.429 48 R N 1.851 122.432 120.500 0.135 0.000 2.474 48 R HA 0.549 4.889 4.340 -0.000 0.000 0.295 48 R C 0.527 176.860 176.300 0.054 0.000 0.980 48 R CA 0.281 56.436 56.100 0.093 0.000 0.934 48 R CB 1.332 31.707 30.300 0.125 0.000 1.101 48 R HN 0.699 nan 8.270 nan 0.000 0.469 49 T N -3.357 111.208 114.554 0.019 0.000 3.043 49 T HA 0.021 4.371 4.350 -0.000 0.000 0.272 49 T C 0.290 174.990 174.700 0.001 0.000 0.990 49 T CA -0.621 61.476 62.100 -0.004 0.000 0.897 49 T CB -0.059 68.797 68.868 -0.020 0.000 1.111 49 T HN 0.639 nan 8.240 nan 0.000 0.529 50 D N 2.235 122.640 120.400 0.009 0.000 2.368 50 D HA 0.037 4.677 4.640 -0.000 0.000 0.240 50 D C 1.439 177.744 176.300 0.008 0.000 1.169 50 D CA 0.342 54.345 54.000 0.004 0.000 0.906 50 D CB 1.531 42.331 40.800 -0.002 0.000 1.187 50 D HN 0.254 nan 8.370 nan 0.000 0.435 51 S N 2.068 117.769 115.700 0.001 0.000 2.383 51 S HA -0.270 4.200 4.470 -0.000 0.000 0.229 51 S C 1.361 175.965 174.600 0.007 0.000 1.030 51 S CA 1.206 59.405 58.200 -0.001 0.000 1.002 51 S CB -0.461 62.736 63.200 -0.005 0.000 0.829 51 S HN 0.511 nan 8.310 nan 0.000 0.467 52 N N 2.472 121.180 118.700 0.014 0.000 2.188 52 N HA 0.182 4.921 4.740 -0.000 0.000 0.184 52 N C 1.940 177.482 175.510 0.052 0.000 1.018 52 N CA 1.375 54.440 53.050 0.025 0.000 0.858 52 N CB -0.790 37.709 38.487 0.021 0.000 0.989 52 N HN 0.612 nan 8.380 nan 0.000 0.426 53 A N 0.206 123.069 122.820 0.071 0.000 1.855 53 A HA -0.150 4.170 4.320 -0.000 0.000 0.215 53 A C 2.338 179.976 177.584 0.089 0.000 1.191 53 A CA 2.309 54.433 52.037 0.145 0.000 0.613 53 A CB -1.417 17.704 19.000 0.201 0.000 0.829 53 A HN 0.476 nan 8.150 nan 0.000 0.442 54 T N -1.802 112.774 114.554 0.038 0.000 2.788 54 T HA 0.039 4.389 4.350 -0.000 0.000 0.268 54 T C 1.936 176.616 174.700 -0.034 0.000 1.044 54 T CA 1.726 63.819 62.100 -0.011 0.000 1.139 54 T CB -0.633 68.218 68.868 -0.030 0.000 0.867 54 T HN 0.580 nan 8.240 nan 0.000 0.454 55 A N 2.100 124.909 122.820 -0.018 0.000 1.877 55 A HA 0.304 4.624 4.320 -0.000 0.000 0.216 55 A C 2.838 180.410 177.584 -0.020 0.000 1.186 55 A CA 1.934 53.952 52.037 -0.031 0.000 0.620 55 A CB -1.436 17.556 19.000 -0.013 0.000 0.822 55 A HN 0.775 nan 8.150 nan 0.000 0.443 56 A N -0.633 122.200 122.820 0.023 0.000 2.019 56 A HA 0.275 4.595 4.320 -0.000 0.000 0.219 56 A C 2.078 179.692 177.584 0.050 0.000 1.164 56 A CA 1.677 53.745 52.037 0.052 0.000 0.644 56 A CB -0.598 18.457 19.000 0.093 0.000 0.805 56 A HN 1.124 nan 8.150 nan 0.000 0.449 57 A N -0.135 122.695 122.820 0.016 0.000 2.379 57 A HA 0.355 4.675 4.320 -0.000 0.000 0.236 57 A C 1.720 179.256 177.584 -0.080 0.000 1.272 57 A CA 0.926 52.974 52.037 0.018 0.000 0.886 57 A CB -0.459 18.537 19.000 -0.006 0.000 0.962 57 A HN 0.804 nan 8.150 nan 0.000 0.504 58 S N -1.043 114.539 115.700 -0.196 0.000 2.523 58 S HA 0.149 4.619 4.470 -0.000 0.000 0.217 58 S C 0.747 174.907 174.600 -0.733 0.000 0.996 58 S CA 0.571 58.436 58.200 -0.558 0.000 0.921 58 S CB -0.354 62.638 63.200 -0.345 0.000 0.829 58 S HN 0.610 nan 8.310 nan 0.000 0.495 59 T N 0.274 114.746 114.554 -0.135 0.000 2.916 59 T HA 0.737 5.087 4.350 -0.000 0.000 0.292 59 T C -1.393 173.580 174.700 0.456 0.000 1.064 59 T CA -0.524 61.692 62.100 0.193 0.000 1.011 59 T CB 2.056 70.968 68.868 0.074 0.000 1.152 59 T HN 0.310 nan 8.240 nan 0.000 0.510 60 D N -0.343 120.273 120.400 0.361 0.000 2.732 60 D HA 0.321 4.961 4.640 -0.000 0.000 0.292 60 D C 0.503 176.835 176.300 0.054 0.000 1.135 60 D CA -1.231 52.869 54.000 0.166 0.000 1.071 60 D CB 0.112 40.907 40.800 -0.007 0.000 1.457 60 D HN 0.379 nan 8.370 nan 0.000 0.547 61 F N 0.681 120.528 119.950 -0.171 0.000 2.202 61 F HA 0.063 4.590 4.527 -0.000 0.000 0.301 61 F C 2.042 177.735 175.800 -0.179 0.000 1.082 61 F CA 2.324 60.156 58.000 -0.281 0.000 1.313 61 F CB -0.381 38.266 39.000 -0.589 0.000 1.024 61 F HN 0.456 nan 8.300 nan 0.000 0.495 62 G N -0.197 108.472 108.800 -0.218 0.000 2.422 62 G HA2 -0.348 3.612 3.960 -0.000 0.000 0.218 62 G HA3 -0.348 3.612 3.960 -0.000 0.000 0.218 62 G C 0.907 175.630 174.900 -0.296 0.000 1.146 62 G CA 0.830 45.755 45.100 -0.291 0.000 0.769 62 G HN 0.643 nan 8.290 nan 0.000 0.547 63 N N -1.168 117.419 118.700 -0.188 0.000 2.725 63 N HA -0.179 4.561 4.740 -0.000 0.000 0.249 63 N C 0.817 176.248 175.510 -0.132 0.000 1.103 63 N CA 0.591 53.545 53.050 -0.161 0.000 0.707 63 N CB -0.712 37.610 38.487 -0.276 0.000 1.043 63 N HN 0.458 nan 8.380 nan 0.000 0.553 64 I N -1.555 118.968 120.570 -0.078 0.000 4.033 64 I HA 0.059 4.229 4.170 -0.000 0.000 0.296 64 I C 1.022 177.140 176.117 0.002 0.000 1.210 64 I CA 0.457 61.723 61.300 -0.057 0.000 1.341 64 I CB 0.995 38.953 38.000 -0.070 0.000 1.369 64 I HN 0.172 nan 8.210 nan 0.000 0.453 65 T N 0.387 114.976 114.554 0.060 0.000 2.912 65 T HA 0.621 4.971 4.350 -0.000 0.000 0.288 65 T C -0.677 174.190 174.700 0.278 0.000 1.030 65 T CA -0.422 61.759 62.100 0.136 0.000 1.020 65 T CB 1.222 70.175 68.868 0.142 0.000 1.056 65 T HN 0.226 nan 8.240 nan 0.000 0.480 66 S N 1.432 117.234 115.700 0.171 0.000 2.546 66 S HA 0.856 5.325 4.470 -0.000 0.000 0.274 66 S C -1.204 173.262 174.600 -0.222 0.000 1.121 66 S CA -0.771 57.387 58.200 -0.070 0.000 0.887 66 S CB 1.642 64.778 63.200 -0.108 0.000 1.094 66 S HN 1.243 nan 8.310 nan 0.000 0.474 67 A N 2.640 125.063 122.820 -0.662 0.000 2.466 67 A HA 0.594 4.914 4.320 -0.000 0.000 0.284 67 A C -0.850 176.487 177.584 -0.412 0.000 1.049 67 A CA -0.654 51.157 52.037 -0.378 0.000 0.760 67 A CB 0.694 19.620 19.000 -0.124 0.000 1.274 67 A HN 0.913 nan 8.150 nan 0.000 0.412 68 L N 4.684 125.770 121.223 -0.227 0.000 2.462 68 L HA 0.269 4.609 4.340 -0.000 0.000 0.272 68 L C -1.659 175.141 176.870 -0.116 0.000 1.166 68 L CA -1.183 53.557 54.840 -0.167 0.000 0.880 68 L CB 0.871 42.868 42.059 -0.103 0.000 1.142 68 L HN 0.513 nan 8.230 nan 0.000 0.473 69 P HA 0.122 nan 4.420 nan 0.000 0.276 69 P C -0.113 177.145 177.300 -0.071 0.000 1.252 69 P CA -0.479 62.578 63.100 -0.072 0.000 0.802 69 P CB 1.326 32.981 31.700 -0.075 0.000 1.035 70 A N 1.132 123.902 122.820 -0.085 0.000 1.929 70 A HA 0.362 4.682 4.320 -0.000 0.000 0.216 70 A C 1.099 178.587 177.584 -0.160 0.000 1.176 70 A CA 1.675 53.648 52.037 -0.107 0.000 0.628 70 A CB -0.740 18.195 19.000 -0.107 0.000 0.816 70 A HN 0.777 nan 8.150 nan 0.000 0.444 71 A N -2.039 120.659 122.820 -0.205 0.000 2.609 71 A HA 0.609 4.928 4.320 -0.000 0.000 0.291 71 A C -1.438 176.085 177.584 -0.102 0.000 1.096 71 A CA -0.350 51.594 52.037 -0.155 0.000 0.684 71 A CB 1.097 19.956 19.000 -0.235 0.000 1.282 71 A HN 0.520 nan 8.150 nan 0.000 0.412 72 V N 1.169 121.067 119.914 -0.027 0.000 2.525 72 V HA 0.454 4.574 4.120 -0.000 0.000 0.299 72 V C -0.800 175.288 176.094 -0.009 0.000 1.034 72 V CA -0.379 61.889 62.300 -0.054 0.000 0.863 72 V CB 1.305 33.101 31.823 -0.045 0.000 0.999 72 V HN 0.841 nan 8.190 nan 0.000 0.423 73 L N 5.678 126.858 121.223 -0.071 0.000 2.290 73 L HA 0.477 4.817 4.340 -0.000 0.000 0.284 73 L C -0.958 175.859 176.870 -0.088 0.000 1.078 73 L CA 0.331 55.180 54.840 0.015 0.000 0.815 73 L CB 0.476 42.559 42.059 0.039 0.000 1.162 73 L HN 0.591 nan 8.230 nan 0.000 0.435 74 Y N 6.543 126.867 120.300 0.040 0.000 2.944 74 Y HA 0.377 4.927 4.550 -0.000 0.000 0.335 74 Y C -1.997 173.927 175.900 0.041 0.000 1.075 74 Y CA -2.293 55.832 58.100 0.042 0.000 1.240 74 Y CB 0.299 38.780 38.460 0.034 0.000 1.167 74 Y HN 0.534 nan 8.280 nan 0.000 0.555 75 P HA 0.053 nan 4.420 nan 0.000 0.276 75 P C 0.425 177.777 177.300 0.087 0.000 1.230 75 P CA -0.031 63.127 63.100 0.097 0.000 0.776 75 P CB 1.934 33.675 31.700 0.069 0.000 0.888 76 S N 1.205 116.948 115.700 0.071 0.000 2.503 76 S HA 0.122 4.592 4.470 -0.000 0.000 0.217 76 S C 0.760 175.382 174.600 0.036 0.000 0.999 76 S CA 0.152 58.385 58.200 0.055 0.000 0.914 76 S CB -0.381 62.848 63.200 0.048 0.000 0.782 76 S HN 0.662 nan 8.310 nan 0.000 0.520 77 S N 0.177 115.896 115.700 0.032 0.000 2.638 77 S HA 0.467 4.937 4.470 -0.000 0.000 0.274 77 S C 0.687 175.296 174.600 0.014 0.000 1.157 77 S CA -0.055 58.156 58.200 0.018 0.000 0.826 77 S CB 0.858 64.067 63.200 0.015 0.000 1.139 77 S HN 0.261 nan 8.310 nan 0.000 0.474 78 T N -1.633 112.922 114.554 0.001 0.000 2.929 78 T HA 0.068 4.418 4.350 -0.000 0.000 0.271 78 T C 2.006 176.706 174.700 0.001 0.000 1.085 78 T CA 1.436 63.532 62.100 -0.007 0.000 1.125 78 T CB -1.290 67.565 68.868 -0.022 0.000 0.874 78 T HN 1.060 nan 8.240 nan 0.000 0.494 79 G N 1.760 110.563 108.800 0.006 0.000 2.469 79 G HA2 -0.223 3.737 3.960 -0.000 0.000 0.220 79 G HA3 -0.223 3.737 3.960 -0.000 0.000 0.220 79 G C 1.324 176.235 174.900 0.019 0.000 1.136 79 G CA 1.001 46.107 45.100 0.010 0.000 0.759 79 G HN 0.482 nan 8.290 nan 0.000 0.562 80 D N 0.262 120.679 120.400 0.029 0.000 2.178 80 D HA -0.018 4.622 4.640 -0.000 0.000 0.202 80 D C 2.592 178.921 176.300 0.048 0.000 0.974 80 D CA 0.303 54.329 54.000 0.043 0.000 0.841 80 D CB -0.096 40.737 40.800 0.055 0.000 0.953 80 D HN 0.305 nan 8.370 nan 0.000 0.478 81 L N 0.381 121.629 121.223 0.041 0.000 2.072 81 L HA -0.115 4.225 4.340 -0.000 0.000 0.205 81 L C 2.515 179.403 176.870 0.030 0.000 1.079 81 L CA 0.500 55.370 54.840 0.050 0.000 0.752 81 L CB -0.196 41.879 42.059 0.026 0.000 0.906 81 L HN -0.082 nan 8.230 nan 0.000 0.436 82 V N 0.156 120.076 119.914 0.010 0.000 2.287 82 V HA -0.332 3.788 4.120 -0.000 0.000 0.248 82 V C 2.753 178.844 176.094 -0.004 0.000 1.053 82 V CA 1.901 64.201 62.300 -0.001 0.000 1.027 82 V CB -0.943 30.878 31.823 -0.003 0.000 0.646 82 V HN 0.500 nan 8.190 nan 0.000 0.447 83 A N -0.202 122.623 122.820 0.008 0.000 1.902 83 A HA -0.213 4.107 4.320 -0.000 0.000 0.217 83 A C 2.175 179.756 177.584 -0.004 0.000 1.181 83 A CA 2.201 54.243 52.037 0.009 0.000 0.623 83 A CB -0.601 18.416 19.000 0.029 0.000 0.818 83 A HN 0.464 nan 8.150 nan 0.000 0.443 84 L N -0.315 120.918 121.223 0.017 0.000 1.994 84 L HA -0.106 4.233 4.340 -0.000 0.000 0.208 84 L C 2.272 179.063 176.870 -0.133 0.000 1.071 84 L CA 1.900 56.748 54.840 0.012 0.000 0.745 84 L CB -0.526 41.585 42.059 0.088 0.000 0.892 84 L HN 0.384 nan 8.230 nan 0.000 0.431 85 L N -1.224 119.949 121.223 -0.083 0.000 2.156 85 L HA -0.119 4.221 4.340 -0.000 0.000 0.208 85 L C 2.670 179.427 176.870 -0.188 0.000 1.095 85 L CA 1.188 55.947 54.840 -0.135 0.000 0.770 85 L CB -0.600 41.446 42.059 -0.021 0.000 0.914 85 L HN 0.381 nan 8.230 nan 0.000 0.439 86 S N -0.159 115.466 115.700 -0.124 0.000 2.368 86 S HA -0.144 4.326 4.470 -0.000 0.000 0.224 86 S C 2.179 176.679 174.600 -0.167 0.000 1.029 86 S CA 1.154 59.292 58.200 -0.104 0.000 0.988 86 S CB -0.040 63.131 63.200 -0.049 0.000 0.838 86 S HN 0.420 nan 8.310 nan 0.000 0.462 87 A N 1.561 124.254 122.820 -0.212 0.000 1.883 87 A HA 0.139 4.459 4.320 -0.000 0.000 0.217 87 A C 2.491 179.713 177.584 -0.604 0.000 1.186 87 A CA 1.979 53.863 52.037 -0.256 0.000 0.624 87 A CB -1.493 17.428 19.000 -0.132 0.000 0.822 87 A HN 0.771 nan 8.150 nan 0.000 0.444 88 A N 0.380 122.503 122.820 -1.162 0.000 1.908 88 A HA -0.260 4.060 4.320 -0.000 0.000 0.218 88 A C 1.959 179.126 177.584 -0.696 0.000 1.181 88 A CA 2.281 53.267 52.037 -1.753 0.000 0.627 88 A CB -0.880 17.206 19.000 -1.524 0.000 0.818 88 A HN 0.724 nan 8.150 nan 0.000 0.445 89 N N 0.245 118.702 118.700 -0.405 0.000 2.120 89 N HA -0.161 4.578 4.740 -0.000 0.000 0.188 89 N C 1.656 177.110 175.510 -0.094 0.000 1.024 89 N CA 2.403 55.342 53.050 -0.186 0.000 0.852 89 N CB -0.214 38.223 38.487 -0.084 0.000 1.003 89 N HN 0.438 nan 8.380 nan 0.000 0.424 90 S N -2.413 113.234 115.700 -0.089 0.000 2.548 90 S HA 0.141 4.611 4.470 -0.000 0.000 0.215 90 S C 0.202 174.810 174.600 0.015 0.000 0.976 90 S CA -0.345 57.842 58.200 -0.022 0.000 0.908 90 S CB -0.193 62.998 63.200 -0.015 0.000 0.781 90 S HN 0.114 nan 8.310 nan 0.000 0.519 91 T N 5.187 119.760 114.554 0.033 0.000 2.733 91 T HA 0.464 4.814 4.350 -0.000 0.000 0.294 91 T C -2.840 171.950 174.700 0.150 0.000 0.956 91 T CA -1.331 60.850 62.100 0.135 0.000 0.987 91 T CB 1.196 70.246 68.868 0.305 0.000 0.920 91 T HN 0.158 nan 8.240 nan 0.000 0.470 92 P HA 0.286 nan 4.420 nan 0.000 0.271 92 P C 0.961 178.316 177.300 0.091 0.000 1.216 92 P CA 0.315 63.465 63.100 0.082 0.000 0.776 92 P CB 0.415 32.146 31.700 0.052 0.000 0.881 93 G N 1.736 110.581 108.800 0.075 0.000 2.198 93 G HA2 -0.227 3.733 3.960 -0.000 0.000 0.260 93 G HA3 -0.227 3.733 3.960 -0.000 0.000 0.260 93 G C -0.084 174.835 174.900 0.032 0.000 1.025 93 G CA -0.487 44.632 45.100 0.032 0.000 0.769 93 G HN 0.649 nan 8.290 nan 0.000 0.507 94 W N 0.989 122.252 121.300 -0.062 0.000 2.397 94 W HA 0.314 4.974 4.660 -0.000 0.000 0.327 94 W C -1.185 175.241 176.519 -0.155 0.000 1.421 94 W CA -0.894 56.403 57.345 -0.079 0.000 1.288 94 W CB 0.794 30.237 29.460 -0.028 0.000 1.312 94 W HN 0.197 nan 8.180 nan 0.000 0.559 95 P HA -0.004 nan 4.420 nan 0.000 0.230 95 P C -1.002 175.774 177.300 -0.873 0.000 1.168 95 P CA 1.086 63.609 63.100 -0.962 0.000 0.793 95 P CB 0.184 31.067 31.700 -1.362 0.000 0.851 96 Y N 0.405 120.279 120.300 -0.709 0.000 2.328 96 Y HA 0.338 4.888 4.550 -0.000 0.000 0.337 96 Y C 1.307 177.300 175.900 0.154 0.000 0.966 96 Y CA -1.355 56.607 58.100 -0.231 0.000 1.136 96 Y CB 0.299 38.606 38.460 -0.256 0.000 1.170 96 Y HN -0.229 nan 8.280 nan 0.000 0.470 97 T N 0.849 115.542 114.554 0.232 0.000 2.748 97 T HA 0.591 4.941 4.350 -0.000 0.000 0.304 97 T C -0.215 174.572 174.700 0.145 0.000 1.041 97 T CA -0.323 61.882 62.100 0.174 0.000 1.033 97 T CB 0.613 69.538 68.868 0.096 0.000 0.995 97 T HN 0.485 nan 8.240 nan 0.000 0.536 98 I N 0.733 121.308 120.570 0.009 0.000 2.548 98 I HA 0.572 4.742 4.170 -0.000 0.000 0.287 98 I C -0.116 175.727 176.117 -0.457 0.000 1.103 98 I CA -1.128 60.076 61.300 -0.159 0.000 1.049 98 I CB 1.834 39.757 38.000 -0.128 0.000 1.232 98 I HN 0.964 nan 8.210 nan 0.000 0.429 99 A N 5.622 128.177 122.820 -0.442 0.000 2.337 99 A HA 0.893 5.213 4.320 -0.000 0.000 0.331 99 A C -1.247 175.959 177.584 -0.631 0.000 1.137 99 A CA -0.346 51.395 52.037 -0.492 0.000 0.807 99 A CB 0.734 19.650 19.000 -0.141 0.000 1.250 99 A HN 0.503 nan 8.150 nan 0.000 0.468 100 F N 1.033 121.002 119.950 0.031 0.000 2.311 100 F HA 0.427 4.953 4.527 -0.000 0.000 0.371 100 F C 0.730 176.545 175.800 0.024 0.000 1.083 100 F CA -0.421 57.589 58.000 0.018 0.000 1.113 100 F CB 1.025 40.032 39.000 0.011 0.000 1.349 100 F HN 0.618 nan 8.300 nan 0.000 0.470 101 R N 1.708 122.289 120.500 0.136 0.000 2.296 101 R HA 0.342 4.682 4.340 -0.000 0.000 0.323 101 R C 1.015 177.381 176.300 0.109 0.000 1.067 101 R CA 0.188 56.355 56.100 0.111 0.000 0.946 101 R CB 0.582 30.933 30.300 0.086 0.000 0.991 101 R HN 0.859 nan 8.270 nan 0.000 0.448 102 G N 3.312 112.180 108.800 0.112 0.000 2.654 102 G HA2 -0.101 3.859 3.960 -0.000 0.000 0.215 102 G HA3 -0.101 3.859 3.960 -0.000 0.000 0.215 102 G C 0.696 175.648 174.900 0.086 0.000 1.310 102 G CA 0.107 45.257 45.100 0.083 0.000 0.866 102 G HN 0.484 nan 8.290 nan 0.000 0.558 103 R N 0.086 120.668 120.500 0.136 0.000 2.572 103 R HA 0.254 4.594 4.340 -0.000 0.000 0.370 103 R C 1.101 177.560 176.300 0.264 0.000 1.005 103 R CA 0.033 56.266 56.100 0.221 0.000 1.146 103 R CB 0.200 30.654 30.300 0.258 0.000 1.390 103 R HN 0.653 nan 8.270 nan 0.000 0.553 104 G N 1.341 110.256 108.800 0.191 0.000 2.273 104 G HA2 -0.311 3.649 3.960 -0.000 0.000 0.280 104 G HA3 -0.311 3.649 3.960 -0.000 0.000 0.280 104 G C 0.551 175.520 174.900 0.115 0.000 1.047 104 G CA 0.421 45.608 45.100 0.146 0.000 0.869 104 G HN 0.476 nan 8.290 nan 0.000 0.502 105 H N -0.016 119.113 119.070 0.098 0.000 2.556 105 H HA 0.151 4.707 4.556 -0.000 0.000 0.268 105 H C 1.576 176.892 175.328 -0.019 0.000 0.996 105 H CA 0.863 56.927 56.048 0.027 0.000 1.157 105 H CB 0.316 30.055 29.762 -0.039 0.000 1.355 105 H HN 0.461 nan 8.280 nan 0.000 0.597 106 S N 0.345 116.070 115.700 0.042 0.000 2.559 106 S HA -0.032 4.438 4.470 -0.000 0.000 0.282 106 S C 1.678 176.238 174.600 -0.067 0.000 1.336 106 S CA -0.179 57.994 58.200 -0.045 0.000 1.037 106 S CB 0.809 63.926 63.200 -0.138 0.000 0.853 106 S HN 0.317 nan 8.310 nan 0.000 0.523 107 L N 1.194 122.364 121.223 -0.088 0.000 2.408 107 L HA 0.246 4.586 4.340 -0.000 0.000 0.215 107 L C 0.932 177.728 176.870 -0.124 0.000 1.081 107 L CA 0.677 55.455 54.840 -0.104 0.000 0.840 107 L CB 0.032 42.045 42.059 -0.076 0.000 1.002 107 L HN 0.500 nan 8.230 nan 0.000 0.468 108 M N -0.231 119.281 119.600 -0.148 0.000 3.637 108 M HA 0.321 4.801 4.480 -0.000 0.000 0.452 108 M C 0.639 176.816 176.300 -0.204 0.000 1.718 108 M CA 0.092 55.314 55.300 -0.130 0.000 0.690 108 M CB 0.560 33.111 32.600 -0.082 0.000 1.448 108 M HN 0.205 nan 8.290 nan 0.000 0.524 109 G N 0.863 109.370 108.800 -0.487 0.000 2.136 109 G HA2 -0.309 3.651 3.960 -0.000 0.000 0.242 109 G HA3 -0.309 3.651 3.960 -0.000 0.000 0.242 109 G C 0.680 175.197 174.900 -0.638 0.000 0.989 109 G CA 0.660 45.173 45.100 -0.978 0.000 0.682 109 G HN 0.468 nan 8.290 nan 0.000 0.522 110 Q N -0.256 119.314 119.800 -0.383 0.000 2.291 110 Q HA 0.353 4.693 4.340 -0.000 0.000 0.206 110 Q C 2.629 178.542 176.000 -0.146 0.000 0.976 110 Q CA 1.867 57.569 55.803 -0.169 0.000 0.875 110 Q CB -0.065 28.625 28.738 -0.079 0.000 0.927 110 Q HN 0.993 nan 8.270 nan 0.000 0.450 111 A N -0.716 121.950 122.820 -0.256 0.000 2.423 111 A HA 0.214 4.534 4.320 -0.000 0.000 0.246 111 A C -0.456 177.183 177.584 0.091 0.000 1.278 111 A CA -0.326 51.668 52.037 -0.072 0.000 0.903 111 A CB 0.182 19.172 19.000 -0.017 0.000 0.997 111 A HN 0.081 nan 8.150 nan 0.000 0.510 112 F N -0.220 119.730 119.950 0.000 0.000 2.371 112 F HA 0.602 5.129 4.527 -0.000 0.000 0.329 112 F C 0.710 176.495 175.800 -0.025 0.000 1.107 112 F CA -1.735 56.259 58.000 -0.011 0.000 1.137 112 F CB 1.332 40.333 39.000 0.001 0.000 1.214 112 F HN 0.072 nan 8.300 nan 0.000 0.536 113 A N 3.567 126.488 122.820 0.169 0.000 2.842 113 A HA 0.599 4.919 4.320 -0.000 0.000 0.339 113 A C -2.769 174.851 177.584 0.059 0.000 1.177 113 A CA -1.604 50.479 52.037 0.076 0.000 0.797 113 A CB -0.075 18.933 19.000 0.012 0.000 1.094 113 A HN 0.359 nan 8.150 nan 0.000 0.474 114 P HA 0.246 nan 4.420 nan 0.000 0.266 114 P C 1.164 178.488 177.300 0.041 0.000 1.215 114 P CA 1.714 64.837 63.100 0.039 0.000 0.763 114 P CB 0.778 32.514 31.700 0.060 0.000 0.806 115 G N 2.549 111.363 108.800 0.023 0.000 2.187 115 G HA2 -0.177 3.783 3.960 -0.000 0.000 0.261 115 G HA3 -0.177 3.783 3.960 -0.000 0.000 0.261 115 G C 0.587 175.566 174.900 0.131 0.000 1.000 115 G CA 0.193 45.327 45.100 0.056 0.000 0.718 115 G HN 0.842 nan 8.290 nan 0.000 0.519 116 G N -2.010 106.837 108.800 0.079 0.000 3.122 116 G HA2 0.696 4.656 3.960 -0.000 0.000 0.180 116 G HA3 0.696 4.656 3.960 -0.000 0.000 0.180 116 G C -0.694 174.148 174.900 -0.095 0.000 1.279 116 G CA 0.006 45.169 45.100 0.106 0.000 0.987 116 G HN 0.860 nan 8.290 nan 0.000 0.589 117 V N 0.599 120.469 119.914 -0.073 0.000 2.357 117 V HA 0.409 4.529 4.120 -0.000 0.000 0.284 117 V C -0.231 175.812 176.094 -0.085 0.000 1.018 117 V CA -0.582 61.645 62.300 -0.122 0.000 0.841 117 V CB 1.251 33.032 31.823 -0.069 0.000 0.991 117 V HN 0.397 nan 8.190 nan 0.000 0.437 118 V N 6.055 125.917 119.914 -0.087 0.000 2.432 118 V HA 0.289 4.409 4.120 -0.000 0.000 0.275 118 V C 0.176 176.213 176.094 -0.095 0.000 1.043 118 V CA -0.437 61.813 62.300 -0.082 0.000 0.925 118 V CB 1.800 33.596 31.823 -0.044 0.000 0.985 118 V HN 0.615 nan 8.190 nan 0.000 0.466 119 V N 5.382 125.255 119.914 -0.068 0.000 2.408 119 V HA 0.170 4.290 4.120 -0.000 0.000 0.267 119 V C 0.876 176.943 176.094 -0.045 0.000 1.047 119 V CA -0.429 61.865 62.300 -0.009 0.000 0.937 119 V CB 1.045 32.980 31.823 0.187 0.000 0.999 119 V HN 0.900 nan 8.190 nan 0.000 0.472 120 N N 5.928 124.509 118.700 -0.199 0.000 2.671 120 N HA 0.041 4.781 4.740 -0.000 0.000 0.274 120 N C 1.201 176.668 175.510 -0.072 0.000 1.188 120 N CA -0.454 52.462 53.050 -0.223 0.000 1.065 120 N CB 0.531 38.641 38.487 -0.628 0.000 1.415 120 N HN 0.579 nan 8.380 nan 0.000 0.511 121 M N 1.522 121.129 119.600 0.011 0.000 2.202 121 M HA -0.169 4.311 4.480 -0.000 0.000 0.262 121 M C 2.149 178.462 176.300 0.021 0.000 1.063 121 M CA 0.919 56.238 55.300 0.032 0.000 1.097 121 M CB -1.342 31.286 32.600 0.046 0.000 1.382 121 M HN 0.542 nan 8.290 nan 0.000 0.413 122 A N -0.108 122.729 122.820 0.029 0.000 2.032 122 A HA -0.158 4.161 4.320 -0.000 0.000 0.221 122 A C 2.440 180.060 177.584 0.061 0.000 1.165 122 A CA 2.107 54.170 52.037 0.043 0.000 0.645 122 A CB -0.824 18.222 19.000 0.076 0.000 0.807 122 A HN 0.517 nan 8.150 nan 0.000 0.453 123 S N -0.193 115.554 115.700 0.079 0.000 2.400 123 S HA -0.112 4.358 4.470 -0.000 0.000 0.232 123 S C 1.633 176.276 174.600 0.072 0.000 1.025 123 S CA 1.306 59.574 58.200 0.113 0.000 0.993 123 S CB -0.447 62.855 63.200 0.170 0.000 0.808 123 S HN 0.576 nan 8.310 nan 0.000 0.478 124 L N 0.542 121.791 121.223 0.044 0.000 2.265 124 L HA -0.072 4.268 4.340 -0.000 0.000 0.215 124 L C 2.135 179.014 176.870 0.015 0.000 1.117 124 L CA 1.006 55.860 54.840 0.023 0.000 0.782 124 L CB -0.509 41.551 42.059 0.002 0.000 0.914 124 L HN 0.402 nan 8.230 nan 0.000 0.441 125 G N -2.035 106.775 108.800 0.018 0.000 3.502 125 G HA2 -0.020 3.940 3.960 -0.000 0.000 0.267 125 G HA3 -0.020 3.940 3.960 -0.000 0.000 0.267 125 G C 0.608 175.523 174.900 0.024 0.000 1.090 125 G CA -0.236 44.870 45.100 0.010 0.000 0.795 125 G HN 0.129 nan 8.290 nan 0.000 0.535 126 D N 1.754 122.176 120.400 0.037 0.000 2.091 126 D HA 0.071 4.711 4.640 -0.000 0.000 0.199 126 D C 2.098 178.414 176.300 0.028 0.000 0.980 126 D CA 0.806 54.830 54.000 0.041 0.000 0.831 126 D CB -0.226 40.607 40.800 0.054 0.000 0.987 126 D HN 0.297 nan 8.370 nan 0.000 0.460 127 A N 0.434 123.269 122.820 0.024 0.000 2.587 127 A HA 0.242 4.562 4.320 -0.000 0.000 0.233 127 A C 1.461 179.052 177.584 0.011 0.000 1.049 127 A CA 0.751 52.798 52.037 0.016 0.000 0.754 127 A CB 0.266 19.274 19.000 0.014 0.000 0.977 127 A HN 0.221 nan 8.150 nan 0.000 0.509 128 A N 2.046 124.872 122.820 0.009 0.000 1.969 128 A HA 0.425 4.744 4.320 -0.000 0.000 0.218 128 A C 1.240 178.825 177.584 0.002 0.000 1.169 128 A CA 1.837 53.877 52.037 0.006 0.000 0.635 128 A CB -0.342 18.661 19.000 0.005 0.000 0.810 128 A HN 2.311 nan 8.150 nan 0.000 0.445 129 A N -0.630 122.191 122.820 0.002 0.000 2.572 129 A HA 0.653 4.973 4.320 -0.000 0.000 0.295 129 A C -2.890 174.695 177.584 0.001 0.000 1.072 129 A CA -1.306 50.731 52.037 -0.000 0.000 0.691 129 A CB 0.645 19.645 19.000 -0.001 0.000 1.291 129 A HN 0.146 nan 8.150 nan 0.000 0.404 130 P HA 0.482 nan 4.420 nan 0.000 0.276 130 P C -2.701 174.595 177.300 -0.007 0.000 1.252 130 P CA -1.101 61.997 63.100 -0.004 0.000 0.802 130 P CB -0.331 31.366 31.700 -0.005 0.000 1.035 131 P HA 0.100 nan 4.420 nan 0.000 0.267 131 P C 0.429 177.717 177.300 -0.019 0.000 1.200 131 P CA -0.012 63.080 63.100 -0.014 0.000 0.772 131 P CB 0.666 32.357 31.700 -0.015 0.000 0.855 132 R N 1.303 121.788 120.500 -0.026 0.000 2.362 132 R HA 0.342 4.682 4.340 -0.000 0.000 0.227 132 R C 0.349 176.618 176.300 -0.051 0.000 0.905 132 R CA 0.020 56.097 56.100 -0.038 0.000 1.067 132 R CB 0.032 30.307 30.300 -0.042 0.000 1.078 132 R HN 0.525 nan 8.270 nan 0.000 0.516 133 I N 2.039 122.583 120.570 -0.043 0.000 2.468 133 I HA 0.239 4.409 4.170 -0.000 0.000 0.284 133 I C -0.929 175.170 176.117 -0.031 0.000 1.038 133 I CA -0.660 60.612 61.300 -0.047 0.000 1.083 133 I CB 1.811 39.779 38.000 -0.055 0.000 1.223 133 I HN -0.207 nan 8.210 nan 0.000 0.443 134 N N 6.256 124.943 118.700 -0.022 0.000 2.479 134 N HA 0.313 5.053 4.740 -0.000 0.000 0.261 134 N C -0.502 174.984 175.510 -0.041 0.000 0.979 134 N CA -0.451 52.585 53.050 -0.023 0.000 0.930 134 N CB 2.663 41.145 38.487 -0.008 0.000 1.172 134 N HN 0.170 nan 8.380 nan 0.000 0.499 135 V N 1.711 121.584 119.914 -0.068 0.000 2.585 135 V HA 0.024 4.144 4.120 -0.000 0.000 0.296 135 V C 1.262 177.221 176.094 -0.225 0.000 1.035 135 V CA -0.402 61.822 62.300 -0.126 0.000 1.084 135 V CB 0.593 32.361 31.823 -0.090 0.000 0.953 135 V HN 0.777 nan 8.190 nan 0.000 0.483 136 S N 4.573 119.982 115.700 -0.484 0.000 2.576 136 S HA 0.254 4.724 4.470 -0.000 0.000 0.272 136 S C 1.464 175.865 174.600 -0.331 0.000 1.352 136 S CA 0.026 57.836 58.200 -0.651 0.000 1.021 136 S CB 1.106 63.327 63.200 -1.631 0.000 0.887 136 S HN 1.157 nan 8.310 nan 0.000 0.542 137 A N 1.783 124.473 122.820 -0.218 0.000 1.948 137 A HA -0.155 4.164 4.320 -0.000 0.000 0.220 137 A C 1.671 179.185 177.584 -0.117 0.000 1.177 137 A CA 1.887 53.851 52.037 -0.122 0.000 0.636 137 A CB -1.072 17.885 19.000 -0.071 0.000 0.815 137 A HN 1.014 nan 8.150 nan 0.000 0.449 138 D N -2.630 117.684 120.400 -0.144 0.000 2.339 138 D HA 0.295 4.934 4.640 -0.000 0.000 0.217 138 D C 1.125 177.359 176.300 -0.109 0.000 1.050 138 D CA 0.761 54.703 54.000 -0.098 0.000 0.856 138 D CB -0.713 40.052 40.800 -0.058 0.000 0.922 138 D HN 0.802 nan 8.370 nan 0.000 0.518 139 G N 0.962 109.660 108.800 -0.169 0.000 2.168 139 G HA2 -0.394 3.566 3.960 -0.000 0.000 0.257 139 G HA3 -0.394 3.566 3.960 -0.000 0.000 0.257 139 G C 1.077 175.911 174.900 -0.110 0.000 0.997 139 G CA 0.360 45.379 45.100 -0.136 0.000 0.708 139 G HN 0.446 nan 8.290 nan 0.000 0.520 140 R N -1.191 119.229 120.500 -0.134 0.000 2.280 140 R HA 0.341 4.681 4.340 -0.000 0.000 0.195 140 R C 0.738 177.091 176.300 0.088 0.000 0.935 140 R CA 1.189 57.284 56.100 -0.007 0.000 1.033 140 R CB 0.260 30.596 30.300 0.061 0.000 0.964 140 R HN 0.811 nan 8.270 nan 0.000 0.489 141 Y N -4.738 115.551 120.300 -0.017 0.000 2.689 141 Y HA 0.568 5.118 4.550 -0.000 0.000 0.333 141 Y C -1.503 174.384 175.900 -0.021 0.000 1.208 141 Y CA -1.600 56.487 58.100 -0.021 0.000 1.055 141 Y CB 1.182 39.628 38.460 -0.023 0.000 1.304 141 Y HN -0.322 nan 8.280 nan 0.000 0.455 142 V N 2.371 122.413 119.914 0.213 0.000 2.525 142 V HA 0.441 4.561 4.120 -0.000 0.000 0.299 142 V C -1.422 174.766 176.094 0.156 0.000 1.034 142 V CA -0.496 61.865 62.300 0.103 0.000 0.863 142 V CB 1.340 33.177 31.823 0.024 0.000 0.999 142 V HN 0.848 nan 8.190 nan 0.000 0.423 143 D N 5.660 126.157 120.400 0.163 0.000 2.312 143 D HA 0.644 5.284 4.640 -0.000 0.000 0.252 143 D C 0.033 176.322 176.300 -0.018 0.000 1.150 143 D CA 0.542 54.591 54.000 0.082 0.000 0.870 143 D CB 1.796 42.659 40.800 0.105 0.000 1.153 143 D HN 0.871 nan 8.370 nan 0.000 0.457 144 A N 1.875 124.647 122.820 -0.080 0.000 2.393 144 A HA 0.684 5.004 4.320 -0.000 0.000 0.306 144 A C 0.440 177.939 177.584 -0.142 0.000 1.050 144 A CA -0.720 51.231 52.037 -0.142 0.000 0.724 144 A CB 1.465 20.308 19.000 -0.261 0.000 1.248 144 A HN 0.464 nan 8.150 nan 0.000 0.424 145 G N 0.478 109.204 108.800 -0.124 0.000 2.484 145 G HA2 0.392 4.352 3.960 -0.000 0.000 0.235 145 G HA3 0.392 4.352 3.960 -0.000 0.000 0.235 145 G C 1.098 175.911 174.900 -0.145 0.000 1.282 145 G CA 0.238 45.271 45.100 -0.111 0.000 0.857 145 G HN 1.445 nan 8.290 nan 0.000 0.571 146 G N 0.810 109.535 108.800 -0.125 0.000 2.462 146 G HA2 -0.186 3.774 3.960 -0.000 0.000 0.220 146 G HA3 -0.186 3.774 3.960 -0.000 0.000 0.220 146 G C 1.422 176.252 174.900 -0.117 0.000 1.121 146 G CA 1.146 46.170 45.100 -0.127 0.000 0.758 146 G HN 0.726 nan 8.290 nan 0.000 0.559 147 E N 0.394 120.535 120.200 -0.100 0.000 2.435 147 E HA -0.013 4.337 4.350 -0.000 0.000 0.195 147 E C 0.505 177.034 176.600 -0.118 0.000 1.029 147 E CA 0.105 56.458 56.400 -0.078 0.000 0.865 147 E CB -0.201 29.473 29.700 -0.043 0.000 0.833 147 E HN 0.265 nan 8.360 nan 0.000 0.510 148 Q N 1.620 121.322 119.800 -0.164 0.000 2.352 148 Q HA 0.189 4.529 4.340 -0.000 0.000 0.260 148 Q C 0.307 176.142 176.000 -0.275 0.000 0.976 148 Q CA -0.141 55.544 55.803 -0.197 0.000 0.881 148 Q CB 1.777 30.389 28.738 -0.209 0.000 1.235 148 Q HN 0.167 nan 8.270 nan 0.000 0.419 149 V N -0.846 118.923 119.914 -0.241 0.000 2.686 149 V HA 0.198 4.318 4.120 -0.000 0.000 0.295 149 V C 0.683 176.689 176.094 -0.147 0.000 1.057 149 V CA -0.727 61.427 62.300 -0.243 0.000 1.012 149 V CB 0.672 32.269 31.823 -0.378 0.000 1.006 149 V HN 0.865 nan 8.190 nan 0.000 0.477 150 W N 1.816 123.092 121.300 -0.039 0.000 2.392 150 W HA -0.067 4.593 4.660 -0.000 0.000 0.279 150 W C 2.038 178.613 176.519 0.092 0.000 1.225 150 W CA 1.330 58.727 57.345 0.087 0.000 1.233 150 W CB -0.251 29.322 29.460 0.189 0.000 1.122 150 W HN 0.671 nan 8.180 nan 0.000 0.561 151 I N 0.747 121.420 120.570 0.172 0.000 2.286 151 I HA -0.292 3.878 4.170 -0.000 0.000 0.248 151 I C 1.720 177.855 176.117 0.031 0.000 1.115 151 I CA 1.960 63.282 61.300 0.037 0.000 1.392 151 I CB -0.585 37.390 38.000 -0.042 0.000 1.065 151 I HN -0.151 nan 8.210 nan 0.000 0.418 152 D N -0.208 120.204 120.400 0.020 0.000 2.149 152 D HA -0.080 4.560 4.640 -0.000 0.000 0.201 152 D C 2.422 178.726 176.300 0.007 0.000 0.972 152 D CA 1.278 55.276 54.000 -0.003 0.000 0.835 152 D CB -0.228 40.556 40.800 -0.027 0.000 0.966 152 D HN 0.291 nan 8.370 nan 0.000 0.476 153 V N 1.333 121.254 119.914 0.011 0.000 2.343 153 V HA -0.215 3.905 4.120 -0.000 0.000 0.247 153 V C 2.463 178.655 176.094 0.163 0.000 1.051 153 V CA 1.023 63.340 62.300 0.027 0.000 1.036 153 V CB -0.435 31.339 31.823 -0.082 0.000 0.654 153 V HN 0.139 nan 8.190 nan 0.000 0.451 154 L N 0.337 121.720 121.223 0.267 0.000 1.994 154 L HA -0.153 4.187 4.340 -0.000 0.000 0.208 154 L C 2.574 179.509 176.870 0.107 0.000 1.071 154 L CA 1.970 56.966 54.840 0.260 0.000 0.745 154 L CB -0.679 41.426 42.059 0.075 0.000 0.892 154 L HN 0.151 nan 8.230 nan 0.000 0.431 155 R N -0.588 119.937 120.500 0.042 0.000 2.081 155 R HA -0.112 4.228 4.340 -0.000 0.000 0.235 155 R C 2.266 178.579 176.300 0.021 0.000 1.131 155 R CA 1.371 57.477 56.100 0.011 0.000 0.960 155 R CB -0.662 29.630 30.300 -0.013 0.000 0.856 155 R HN 0.562 nan 8.270 nan 0.000 0.436 156 A N 0.270 123.104 122.820 0.023 0.000 1.898 156 A HA -0.131 4.189 4.320 -0.000 0.000 0.216 156 A C 2.175 179.773 177.584 0.023 0.000 1.181 156 A CA 1.685 53.729 52.037 0.013 0.000 0.620 156 A CB -0.372 18.627 19.000 -0.001 0.000 0.819 156 A HN 0.231 nan 8.150 nan 0.000 0.442 157 S N -0.046 115.687 115.700 0.055 0.000 2.368 157 S HA -0.058 4.412 4.470 -0.000 0.000 0.224 157 S C 1.808 176.446 174.600 0.064 0.000 1.029 157 S CA 1.341 59.581 58.200 0.066 0.000 0.988 157 S CB -0.441 62.836 63.200 0.128 0.000 0.838 157 S HN 0.511 nan 8.310 nan 0.000 0.462 158 L N 1.238 122.506 121.223 0.076 0.000 2.131 158 L HA -0.116 4.224 4.340 -0.000 0.000 0.210 158 L C 2.709 179.599 176.870 0.033 0.000 1.092 158 L CA 1.070 55.949 54.840 0.064 0.000 0.759 158 L CB -0.708 41.386 42.059 0.058 0.000 0.903 158 L HN 0.322 nan 8.230 nan 0.000 0.435 159 A N -0.499 122.333 122.820 0.020 0.000 2.070 159 A HA -0.142 4.178 4.320 -0.000 0.000 0.220 159 A C 2.092 179.677 177.584 0.002 0.000 1.159 159 A CA 1.252 53.293 52.037 0.007 0.000 0.656 159 A CB -0.265 18.735 19.000 0.001 0.000 0.800 159 A HN 0.272 nan 8.150 nan 0.000 0.453 160 R N -1.523 118.979 120.500 0.003 0.000 2.468 160 R HA 0.206 4.546 4.340 -0.000 0.000 0.280 160 R C 1.073 177.372 176.300 -0.002 0.000 0.963 160 R CA 0.622 56.718 56.100 -0.008 0.000 1.083 160 R CB -0.215 30.071 30.300 -0.023 0.000 1.200 160 R HN 0.738 nan 8.270 nan 0.000 0.541 161 G N 1.189 109.996 108.800 0.012 0.000 2.143 161 G HA2 -0.291 3.669 3.960 -0.000 0.000 0.248 161 G HA3 -0.291 3.669 3.960 -0.000 0.000 0.248 161 G C 0.245 175.158 174.900 0.022 0.000 0.991 161 G CA 0.608 45.716 45.100 0.014 0.000 0.689 161 G HN 0.303 nan 8.290 nan 0.000 0.522 162 V N -3.979 115.958 119.914 0.039 0.000 3.158 162 V HA 1.074 5.194 4.120 -0.000 0.000 0.311 162 V C 0.012 176.179 176.094 0.122 0.000 1.181 162 V CA -0.502 61.830 62.300 0.054 0.000 1.054 162 V CB 1.924 33.761 31.823 0.022 0.000 1.085 162 V HN 2.096 nan 8.190 nan 0.000 0.446 163 A N 0.985 123.897 122.820 0.153 0.000 2.594 163 A HA 0.887 5.207 4.320 -0.000 0.000 0.296 163 A C -3.323 174.380 177.584 0.198 0.000 1.061 163 A CA -1.399 50.810 52.037 0.287 0.000 0.689 163 A CB 1.386 20.690 19.000 0.507 0.000 1.280 163 A HN 0.722 nan 8.150 nan 0.000 0.406 164 P HA 0.063 nan 4.420 nan 0.000 0.267 164 P C 0.440 177.561 177.300 -0.298 0.000 1.195 164 P CA 0.175 63.129 63.100 -0.244 0.000 0.773 164 P CB 0.378 31.653 31.700 -0.710 0.000 0.837 165 R N -0.114 120.136 120.500 -0.417 0.000 2.308 165 R HA 0.281 4.621 4.340 -0.000 0.000 0.202 165 R C 0.376 176.402 176.300 -0.458 0.000 0.898 165 R CA 0.042 55.879 56.100 -0.438 0.000 1.046 165 R CB 0.259 30.088 30.300 -0.785 0.000 1.026 165 R HN 0.275 nan 8.270 nan 0.000 0.512 166 S N 0.173 115.484 115.700 -0.648 0.000 2.594 166 S HA 0.491 4.961 4.470 -0.000 0.000 0.296 166 S C -1.757 172.370 174.600 -0.788 0.000 1.124 166 S CA -0.857 57.051 58.200 -0.487 0.000 1.011 166 S CB 0.708 63.698 63.200 -0.350 0.000 1.016 166 S HN 0.334 nan 8.310 nan 0.000 0.485 167 W N 1.482 122.658 121.300 -0.207 0.000 2.958 167 W HA 0.605 5.266 4.660 0.000 0.000 0.339 167 W C 0.330 176.687 176.519 -0.271 0.000 1.174 167 W CA -0.723 56.436 57.345 -0.311 0.000 1.064 167 W CB 0.992 30.349 29.460 -0.172 0.000 1.471 167 W HN 0.638 nan 8.180 nan 0.000 0.599 168 T N -2.372 112.201 114.554 0.032 0.000 2.952 168 T HA 0.235 4.585 4.350 -0.000 0.000 0.286 168 T C 0.256 175.022 174.700 0.109 0.000 1.024 168 T CA -0.638 61.502 62.100 0.067 0.000 1.029 168 T CB 1.496 70.376 68.868 0.020 0.000 1.094 168 T HN 0.308 nan 8.240 nan 0.000 0.515 169 D N -0.585 119.900 120.400 0.142 0.000 2.218 169 D HA -0.017 4.623 4.640 -0.000 0.000 0.204 169 D C -0.134 176.222 176.300 0.094 0.000 0.976 169 D CA 1.466 55.525 54.000 0.098 0.000 0.853 169 D CB -0.099 40.789 40.800 0.147 0.000 0.939 169 D HN 0.622 nan 8.370 nan 0.000 0.481 170 Y N 0.315 120.619 120.300 0.006 0.000 2.361 170 Y HA 0.300 4.850 4.550 -0.000 0.000 0.337 170 Y C 0.341 176.253 175.900 0.020 0.000 0.965 170 Y CA -0.697 57.415 58.100 0.020 0.000 1.091 170 Y CB 1.066 39.567 38.460 0.068 0.000 1.182 170 Y HN -0.296 nan 8.280 nan 0.000 0.450 171 L N 5.678 126.659 121.223 -0.403 0.000 2.567 171 L HA 0.077 4.417 4.340 -0.000 0.000 0.225 171 L C 0.149 176.924 176.870 -0.159 0.000 1.119 171 L CA 0.172 54.903 54.840 -0.182 0.000 0.871 171 L CB 0.069 42.029 42.059 -0.164 0.000 1.036 171 L HN 0.621 nan 8.230 nan 0.000 0.459 172 Y N 2.318 122.219 120.300 -0.665 0.000 2.930 172 Y HA 0.401 4.950 4.550 -0.000 0.000 0.386 172 Y C -0.226 175.642 175.900 -0.053 0.000 1.185 172 Y CA -0.364 57.552 58.100 -0.305 0.000 1.922 172 Y CB -0.511 37.796 38.460 -0.256 0.000 2.006 172 Y HN -0.043 nan 8.280 nan 0.000 0.431 173 L N 0.844 122.033 121.223 -0.056 0.000 2.333 173 L HA 0.527 4.867 4.340 -0.000 0.000 0.263 173 L C 0.287 177.224 176.870 0.111 0.000 1.014 173 L CA -1.272 53.603 54.840 0.058 0.000 0.820 173 L CB 2.240 44.410 42.059 0.186 0.000 1.352 173 L HN 0.175 nan 8.230 nan 0.000 0.421 174 T N -2.078 112.515 114.554 0.065 0.000 2.882 174 T HA 0.298 4.647 4.350 -0.000 0.000 0.287 174 T C 1.147 175.871 174.700 0.039 0.000 1.014 174 T CA -0.758 61.323 62.100 -0.032 0.000 1.049 174 T CB 1.651 70.495 68.868 -0.041 0.000 1.001 174 T HN 0.248 nan 8.240 nan 0.000 0.525 175 V N 2.693 122.437 119.914 -0.284 0.000 2.255 175 V HA -0.057 4.063 4.120 -0.000 0.000 0.247 175 V C 2.924 179.038 176.094 0.034 0.000 1.051 175 V CA 2.486 64.606 62.300 -0.300 0.000 1.018 175 V CB -1.546 29.949 31.823 -0.547 0.000 0.641 175 V HN 1.128 nan 8.190 nan 0.000 0.445 176 G N -0.291 108.494 108.800 -0.025 0.000 2.422 176 G HA2 -0.154 3.806 3.960 -0.000 0.000 0.218 176 G HA3 -0.154 3.806 3.960 -0.000 0.000 0.218 176 G C 1.596 176.550 174.900 0.090 0.000 1.146 176 G CA 0.995 46.103 45.100 0.013 0.000 0.769 176 G HN 0.604 nan 8.290 nan 0.000 0.547 177 G N 0.562 109.434 108.800 0.119 0.000 2.404 177 G HA2 -0.159 3.801 3.960 -0.000 0.000 0.215 177 G HA3 -0.159 3.801 3.960 -0.000 0.000 0.215 177 G C 2.027 177.044 174.900 0.195 0.000 1.174 177 G CA 2.237 47.428 45.100 0.152 0.000 0.780 177 G HN 0.577 nan 8.290 nan 0.000 0.537 178 T N -0.302 114.414 114.554 0.271 0.000 2.857 178 T HA 0.087 4.437 4.350 -0.000 0.000 0.266 178 T C 2.414 177.260 174.700 0.244 0.000 1.048 178 T CA 0.784 63.047 62.100 0.272 0.000 1.139 178 T CB -0.293 68.747 68.868 0.287 0.000 0.874 178 T HN 0.159 nan 8.240 nan 0.000 0.455 179 L N 1.047 122.412 121.223 0.237 0.000 2.275 179 L HA 0.023 4.363 4.340 -0.000 0.000 0.215 179 L C 2.737 179.698 176.870 0.152 0.000 1.119 179 L CA 0.879 55.817 54.840 0.163 0.000 0.790 179 L CB -0.533 41.596 42.059 0.117 0.000 0.919 179 L HN 0.318 nan 8.230 nan 0.000 0.443 180 S N -0.633 115.169 115.700 0.170 0.000 2.561 180 S HA 0.002 4.472 4.470 -0.000 0.000 0.225 180 S C 1.374 176.124 174.600 0.250 0.000 0.977 180 S CA 0.400 58.714 58.200 0.189 0.000 0.926 180 S CB -0.030 63.269 63.200 0.165 0.000 0.769 180 S HN 0.470 nan 8.310 nan 0.000 0.533 181 N N -0.022 118.843 118.700 0.275 0.000 2.984 181 N HA 0.367 5.107 4.740 -0.000 0.000 0.235 181 N C 1.073 176.906 175.510 0.539 0.000 1.025 181 N CA 0.988 54.259 53.050 0.369 0.000 1.173 181 N CB 0.445 39.082 38.487 0.251 0.000 1.615 181 N HN 0.311 nan 8.380 nan 0.000 0.560 182 A N -0.626 122.493 122.820 0.498 0.000 1.544 182 A HA 0.417 4.736 4.320 -0.000 0.000 0.206 182 A C 0.159 177.839 177.584 0.161 0.000 1.895 182 A CA 0.870 53.107 52.037 0.334 0.000 1.585 182 A CB -0.212 19.070 19.000 0.470 0.000 1.485 182 A HN 0.548 nan 8.150 nan 0.000 0.342 183 G N 0.646 109.614 108.800 0.280 0.000 2.929 183 G HA2 0.222 4.182 3.960 -0.000 0.000 0.335 183 G HA3 0.222 4.182 3.960 -0.000 0.000 0.335 183 G C -0.368 174.555 174.900 0.038 0.000 1.054 183 G CA 0.132 45.297 45.100 0.109 0.000 1.067 183 G HN 1.951 nan 8.290 nan 0.000 0.472 184 I N -0.992 119.675 120.570 0.162 0.000 2.608 184 I HA 0.971 5.141 4.170 -0.000 0.000 0.295 184 I C -0.063 176.188 176.117 0.224 0.000 1.049 184 I CA -0.824 60.582 61.300 0.176 0.000 1.063 184 I CB 2.376 40.544 38.000 0.280 0.000 1.248 184 I HN 0.565 nan 8.210 nan 0.000 0.424 185 S N 2.588 118.402 115.700 0.189 0.000 2.873 185 S HA 0.579 5.049 4.470 -0.000 0.000 0.303 185 S C 0.781 175.326 174.600 -0.091 0.000 1.222 185 S CA 0.008 58.292 58.200 0.140 0.000 0.923 185 S CB 0.857 64.179 63.200 0.204 0.000 1.286 185 S HN 1.006 nan 8.310 nan 0.000 0.571 186 G N 0.252 108.840 108.800 -0.354 0.000 2.625 186 G HA2 -0.014 3.946 3.960 -0.000 0.000 0.214 186 G HA3 -0.014 3.946 3.960 -0.000 0.000 0.214 186 G C 0.691 175.508 174.900 -0.140 0.000 1.132 186 G CA 0.685 45.279 45.100 -0.845 0.000 0.782 186 G HN 0.558 nan 8.290 nan 0.000 0.538 187 Q N 0.136 119.991 119.800 0.090 0.000 2.398 187 Q HA 0.409 4.749 4.340 -0.000 0.000 0.204 187 Q C 2.564 178.479 176.000 -0.140 0.000 0.932 187 Q CA 0.696 56.541 55.803 0.070 0.000 0.916 187 Q CB -0.005 28.856 28.738 0.205 0.000 1.024 187 Q HN 0.348 nan 8.270 nan 0.000 0.504 188 A N 0.747 123.537 122.820 -0.049 0.000 2.019 188 A HA -0.171 4.149 4.320 -0.000 0.000 0.219 188 A C 1.801 179.276 177.584 -0.181 0.000 1.164 188 A CA 1.273 53.247 52.037 -0.105 0.000 0.644 188 A CB -0.931 18.080 19.000 0.019 0.000 0.805 188 A HN 0.591 nan 8.150 nan 0.000 0.449 189 F N 1.243 121.059 119.950 -0.223 0.000 2.216 189 F HA -0.135 4.392 4.527 -0.000 0.000 0.300 189 F C 1.982 177.366 175.800 -0.695 0.000 1.085 189 F CA 1.376 59.177 58.000 -0.332 0.000 1.326 189 F CB -0.306 38.514 39.000 -0.301 0.000 1.027 189 F HN 0.296 nan 8.300 nan 0.000 0.497 190 R N -1.482 117.881 120.500 -1.894 0.000 2.307 190 R HA 0.190 4.529 4.340 -0.000 0.000 0.200 190 R C 0.982 176.564 176.300 -1.196 0.000 0.893 190 R CA 0.473 55.290 56.100 -2.137 0.000 1.042 190 R CB -0.573 28.369 30.300 -2.262 0.000 1.059 190 R HN 0.327 nan 8.270 nan 0.000 0.530 191 H N 0.468 119.172 119.070 -0.610 0.000 2.893 191 H HA 0.298 4.854 4.556 -0.000 0.000 0.270 191 H C 0.638 175.781 175.328 -0.308 0.000 1.095 191 H CA 0.653 56.489 56.048 -0.354 0.000 1.186 191 H CB 1.249 30.836 29.762 -0.292 0.000 1.562 191 H HN 0.436 nan 8.280 nan 0.000 0.536 192 G N 2.276 110.913 108.800 -0.272 0.000 2.829 192 G HA2 -0.204 3.755 3.960 -0.000 0.000 0.628 192 G HA3 -0.204 3.755 3.960 -0.000 0.000 0.628 192 G C -2.665 171.966 174.900 -0.449 0.000 1.412 192 G CA -0.598 44.266 45.100 -0.394 0.000 0.864 192 G HN 0.067 nan 8.290 nan 0.000 0.544 193 P HA 0.144 nan 4.420 nan 0.000 0.275 193 P C 0.766 177.831 177.300 -0.392 0.000 1.270 193 P CA 0.040 62.786 63.100 -0.590 0.000 0.791 193 P CB 0.428 31.523 31.700 -1.008 0.000 1.089 194 Q N -0.257 119.368 119.800 -0.292 0.000 2.170 194 Q HA -0.119 4.221 4.340 -0.000 0.000 0.203 194 Q C 1.932 177.849 176.000 -0.139 0.000 0.976 194 Q CA 1.421 57.083 55.803 -0.236 0.000 0.858 194 Q CB -0.662 27.918 28.738 -0.263 0.000 0.907 194 Q HN 0.530 nan 8.270 nan 0.000 0.433 195 I N -2.666 117.815 120.570 -0.148 0.000 2.756 195 I HA -0.100 4.070 4.170 -0.000 0.000 0.262 195 I C 1.498 177.535 176.117 -0.134 0.000 1.225 195 I CA 0.921 62.151 61.300 -0.116 0.000 1.472 195 I CB -0.067 37.887 38.000 -0.078 0.000 1.094 195 I HN -0.129 nan 8.210 nan 0.000 0.454 196 S N 1.070 116.653 115.700 -0.194 0.000 2.593 196 S HA 0.157 4.627 4.470 -0.000 0.000 0.217 196 S C 0.799 175.353 174.600 -0.077 0.000 0.966 196 S CA 0.023 58.140 58.200 -0.138 0.000 0.914 196 S CB -0.343 62.720 63.200 -0.227 0.000 0.776 196 S HN 0.544 nan 8.310 nan 0.000 0.523 197 N N 1.513 120.166 118.700 -0.079 0.000 2.553 197 N HA 0.217 4.957 4.740 -0.000 0.000 0.298 197 N C -1.229 174.283 175.510 0.003 0.000 1.596 197 N CA 0.138 53.155 53.050 -0.055 0.000 0.910 197 N CB 1.593 40.003 38.487 -0.128 0.000 1.336 197 N HN 0.048 nan 8.380 nan 0.000 0.497 198 V N 1.598 121.547 119.914 0.058 0.000 2.487 198 V HA 0.278 4.398 4.120 -0.000 0.000 0.298 198 V C 0.993 177.210 176.094 0.206 0.000 1.028 198 V CA -0.507 61.862 62.300 0.115 0.000 0.860 198 V CB 2.299 34.181 31.823 0.097 0.000 0.991 198 V HN 0.072 nan 8.190 nan 0.000 0.427 199 L N 3.082 124.350 121.223 0.076 0.000 2.162 199 L HA 0.251 4.591 4.340 -0.000 0.000 0.205 199 L C 0.962 177.771 176.870 -0.101 0.000 1.086 199 L CA 1.287 56.102 54.840 -0.042 0.000 0.778 199 L CB -0.171 41.783 42.059 -0.175 0.000 0.928 199 L HN 0.954 nan 8.230 nan 0.000 0.446 200 E N -2.389 117.829 120.200 0.029 0.000 2.417 200 E HA 0.540 4.890 4.350 -0.000 0.000 0.280 200 E C -1.244 175.430 176.600 0.123 0.000 1.112 200 E CA -0.728 55.691 56.400 0.031 0.000 0.863 200 E CB 1.211 30.819 29.700 -0.153 0.000 1.346 200 E HN -0.107 nan 8.360 nan 0.000 0.443 201 M N 0.760 120.431 119.600 0.117 0.000 2.569 201 M HA 0.378 4.858 4.480 -0.000 0.000 0.279 201 M C -1.892 174.408 176.300 0.000 0.000 1.253 201 M CA -0.977 54.353 55.300 0.051 0.000 0.867 201 M CB 2.524 35.161 32.600 0.061 0.000 1.727 201 M HN 0.454 nan 8.290 nan 0.000 0.467 202 D N 1.791 122.171 120.400 -0.033 0.000 2.232 202 D HA 0.557 5.197 4.640 -0.000 0.000 0.242 202 D C -1.107 175.150 176.300 -0.071 0.000 1.093 202 D CA -0.065 53.905 54.000 -0.049 0.000 0.845 202 D CB 1.974 42.743 40.800 -0.052 0.000 1.124 202 D HN 0.157 nan 8.370 nan 0.000 0.467 203 V N 3.238 123.104 119.914 -0.079 0.000 2.638 203 V HA 0.389 4.509 4.120 -0.000 0.000 0.306 203 V C 0.128 176.163 176.094 -0.098 0.000 1.052 203 V CA -0.814 61.420 62.300 -0.110 0.000 0.885 203 V CB 2.002 33.750 31.823 -0.125 0.000 0.999 203 V HN 0.376 nan 8.190 nan 0.000 0.424 204 I N 4.530 125.031 120.570 -0.114 0.000 2.304 204 I HA 0.330 4.500 4.170 -0.000 0.000 0.291 204 I C 1.093 177.181 176.117 -0.048 0.000 1.018 204 I CA -0.073 61.185 61.300 -0.070 0.000 1.260 204 I CB 1.566 39.524 38.000 -0.069 0.000 1.390 204 I HN 0.811 nan 8.210 nan 0.000 0.475 205 T N 1.815 116.375 114.554 0.011 0.000 2.729 205 T HA 0.190 4.540 4.350 -0.000 0.000 0.298 205 T C 1.464 176.205 174.700 0.069 0.000 1.013 205 T CA -0.120 62.022 62.100 0.070 0.000 0.957 205 T CB 1.084 70.077 68.868 0.210 0.000 1.130 205 T HN 0.688 nan 8.240 nan 0.000 0.526 206 G N -1.238 107.593 108.800 0.051 0.000 2.509 206 G HA2 -0.121 3.839 3.960 -0.000 0.000 0.218 206 G HA3 -0.121 3.839 3.960 -0.000 0.000 0.218 206 G C 1.317 176.121 174.900 -0.160 0.000 1.124 206 G CA 0.182 45.242 45.100 -0.067 0.000 0.776 206 G HN 0.890 nan 8.290 nan 0.000 0.547 207 H N 0.126 119.207 119.070 0.017 0.000 2.551 207 H HA 0.120 4.676 4.556 -0.000 0.000 0.266 207 H C 2.226 177.532 175.328 -0.036 0.000 0.977 207 H CA 0.662 56.700 56.048 -0.017 0.000 1.163 207 H CB 0.280 30.045 29.762 0.005 0.000 1.381 207 H HN 0.421 nan 8.280 nan 0.000 0.581 208 G N 1.492 110.327 108.800 0.058 0.000 2.136 208 G HA2 -0.273 3.687 3.960 -0.000 0.000 0.242 208 G HA3 -0.273 3.687 3.960 -0.000 0.000 0.242 208 G C 0.152 175.068 174.900 0.028 0.000 0.989 208 G CA 0.399 45.506 45.100 0.011 0.000 0.682 208 G HN 0.515 nan 8.290 nan 0.000 0.522 209 E N -0.043 120.193 120.200 0.061 0.000 2.134 209 E HA 0.577 4.927 4.350 -0.000 0.000 0.278 209 E C 0.503 177.114 176.600 0.019 0.000 0.959 209 E CA -1.067 55.357 56.400 0.041 0.000 0.783 209 E CB 0.452 30.188 29.700 0.058 0.000 1.095 209 E HN 0.251 nan 8.360 nan 0.000 0.399 210 M N 5.480 125.079 119.600 -0.001 0.000 2.194 210 M HA 0.177 4.657 4.480 -0.000 0.000 0.347 210 M C -1.870 174.419 176.300 -0.019 0.000 1.439 210 M CA -0.117 55.172 55.300 -0.019 0.000 1.131 210 M CB 0.670 33.257 32.600 -0.022 0.000 1.733 210 M HN 0.223 nan 8.290 nan 0.000 0.467 211 V N 4.792 124.688 119.914 -0.031 0.000 2.540 211 V HA 0.489 4.609 4.120 -0.000 0.000 0.302 211 V C 0.009 176.077 176.094 -0.043 0.000 1.035 211 V CA -0.764 61.516 62.300 -0.032 0.000 0.873 211 V CB 1.987 33.789 31.823 -0.036 0.000 0.992 211 V HN 0.837 nan 8.190 nan 0.000 0.428 212 T N 4.469 119.000 114.554 -0.039 0.000 2.806 212 T HA 0.512 4.862 4.350 -0.000 0.000 0.290 212 T C -0.163 174.510 174.700 -0.045 0.000 0.966 212 T CA -0.205 61.869 62.100 -0.043 0.000 1.060 212 T CB 0.397 69.235 68.868 -0.049 0.000 0.927 212 T HN 1.023 nan 8.240 nan 0.000 0.485 213 C N 2.008 121.292 119.300 -0.025 0.000 2.994 213 C HA 1.009 5.469 4.460 -0.000 0.000 0.304 213 C C -0.115 174.813 174.990 -0.104 0.000 1.273 213 C CA -0.890 58.117 59.018 -0.020 0.000 1.537 213 C CB 0.985 28.755 27.740 0.051 0.000 2.001 213 C HN 1.004 nan 8.230 nan 0.000 0.471 214 S N 0.354 115.821 115.700 -0.388 0.000 2.669 214 S HA 0.450 4.920 4.470 -0.000 0.000 0.266 214 S C -0.009 174.058 174.600 -0.888 0.000 1.149 214 S CA -0.628 56.902 58.200 -1.117 0.000 0.842 214 S CB 0.734 63.558 63.200 -0.627 0.000 1.160 214 S HN 0.750 nan 8.310 nan 0.000 0.487 215 K N 0.288 120.169 120.400 -0.865 0.000 2.360 215 K HA 0.040 4.360 4.320 -0.000 0.000 0.201 215 K C 1.357 177.828 176.600 -0.214 0.000 1.046 215 K CA 1.407 57.477 56.287 -0.362 0.000 0.945 215 K CB -0.479 31.882 32.500 -0.232 0.000 0.750 215 K HN 0.580 nan 8.250 nan 0.000 0.464 216 Q N -0.675 118.984 119.800 -0.235 0.000 2.352 216 Q HA 0.177 4.517 4.340 -0.000 0.000 0.212 216 Q C -0.400 175.528 176.000 -0.120 0.000 0.888 216 Q CA 0.069 55.784 55.803 -0.146 0.000 0.934 216 Q CB 0.663 29.319 28.738 -0.136 0.000 1.093 216 Q HN 0.026 nan 8.270 nan 0.000 0.523 217 L N 0.178 121.315 121.223 -0.143 0.000 2.516 217 L HA 0.367 4.706 4.340 -0.000 0.000 0.267 217 L C -1.323 175.501 176.870 -0.077 0.000 0.957 217 L CA -0.106 54.676 54.840 -0.097 0.000 0.860 217 L CB 1.225 43.225 42.059 -0.098 0.000 1.265 217 L HN 0.239 nan 8.230 nan 0.000 0.403 218 N N 3.065 121.744 118.700 -0.034 0.000 2.725 218 N HA -0.257 4.483 4.740 -0.000 0.000 0.251 218 N C 1.132 176.649 175.510 0.012 0.000 1.031 218 N CA 0.705 53.755 53.050 0.001 0.000 0.720 218 N CB -0.410 38.075 38.487 -0.003 0.000 0.930 218 N HN 0.818 nan 8.380 nan 0.000 0.543 219 A N 0.602 123.424 122.820 0.005 0.000 2.019 219 A HA -0.246 4.074 4.320 -0.000 0.000 0.219 219 A C 2.067 179.706 177.584 0.091 0.000 1.164 219 A CA 1.843 53.908 52.037 0.047 0.000 0.644 219 A CB -0.196 18.811 19.000 0.011 0.000 0.805 219 A HN 0.688 nan 8.150 nan 0.000 0.449 220 D N 0.214 120.646 120.400 0.053 0.000 2.117 220 D HA -0.188 4.451 4.640 -0.000 0.000 0.197 220 D C 1.790 178.073 176.300 -0.030 0.000 0.987 220 D CA 1.496 55.516 54.000 0.034 0.000 0.829 220 D CB -0.757 40.081 40.800 0.064 0.000 0.961 220 D HN 0.363 nan 8.370 nan 0.000 0.460 221 L N -0.480 120.699 121.223 -0.073 0.000 2.027 221 L HA 0.014 4.354 4.340 -0.000 0.000 0.206 221 L C 2.391 179.160 176.870 -0.167 0.000 1.074 221 L CA 1.165 55.798 54.840 -0.344 0.000 0.745 221 L CB -0.925 40.798 42.059 -0.559 0.000 0.898 221 L HN -0.030 nan 8.230 nan 0.000 0.433 222 F N 0.741 120.590 119.950 -0.169 0.000 2.065 222 F HA -0.302 4.224 4.527 -0.000 0.000 0.298 222 F C 2.176 177.934 175.800 -0.071 0.000 1.112 222 F CA 2.283 60.220 58.000 -0.106 0.000 1.212 222 F CB -0.466 38.487 39.000 -0.078 0.000 0.975 222 F HN 0.216 nan 8.300 nan 0.000 0.476 223 D N 0.188 120.605 120.400 0.028 0.000 2.144 223 D HA -0.124 4.516 4.640 -0.000 0.000 0.199 223 D C 2.346 178.593 176.300 -0.087 0.000 0.984 223 D CA 1.438 55.419 54.000 -0.032 0.000 0.834 223 D CB -0.658 40.176 40.800 0.057 0.000 0.955 223 D HN 0.393 nan 8.370 nan 0.000 0.465 224 A N 0.388 123.093 122.820 -0.192 0.000 1.873 224 A HA -0.108 4.212 4.320 -0.000 0.000 0.215 224 A C 2.491 180.023 177.584 -0.087 0.000 1.186 224 A CA 1.067 52.885 52.037 -0.366 0.000 0.616 224 A CB -0.690 17.716 19.000 -0.990 0.000 0.823 224 A HN 0.141 nan 8.150 nan 0.000 0.442 225 V N 0.301 120.166 119.914 -0.081 0.000 2.427 225 V HA -0.095 4.025 4.120 -0.000 0.000 0.248 225 V C 1.147 177.283 176.094 0.070 0.000 1.051 225 V CA 0.796 63.142 62.300 0.076 0.000 1.048 225 V CB -0.764 31.031 31.823 -0.047 0.000 0.666 225 V HN 0.452 nan 8.190 nan 0.000 0.456 226 L N 1.214 122.401 121.223 -0.061 0.000 2.456 226 L HA 0.398 4.738 4.340 -0.000 0.000 0.277 226 L C 1.361 178.318 176.870 0.146 0.000 1.124 226 L CA 0.753 55.569 54.840 -0.041 0.000 0.880 226 L CB -0.100 41.818 42.059 -0.236 0.000 1.192 226 L HN 0.437 nan 8.230 nan 0.000 0.463 227 G N 2.658 111.595 108.800 0.228 0.000 2.148 227 G HA2 -0.270 3.690 3.960 -0.000 0.000 0.254 227 G HA3 -0.270 3.690 3.960 -0.000 0.000 0.254 227 G C 0.832 176.018 174.900 0.478 0.000 0.981 227 G CA 0.218 45.539 45.100 0.369 0.000 0.670 227 G HN 0.887 nan 8.290 nan 0.000 0.528 228 G N -0.246 108.819 108.800 0.441 0.000 2.985 228 G HA2 0.417 4.377 3.960 -0.000 0.000 0.209 228 G HA3 0.417 4.377 3.960 -0.000 0.000 0.209 228 G C 1.112 176.274 174.900 0.437 0.000 1.165 228 G CA 0.485 45.955 45.100 0.616 0.000 0.776 228 G HN 1.410 nan 8.290 nan 0.000 0.541 229 L N -1.092 120.331 121.223 0.334 0.000 3.843 229 L HA -0.248 4.092 4.340 -0.000 0.000 0.411 229 L C 1.665 178.615 176.870 0.132 0.000 1.205 229 L CA 0.270 55.248 54.840 0.230 0.000 0.945 229 L CB -1.806 40.399 42.059 0.243 0.000 1.929 229 L HN 0.619 nan 8.230 nan 0.000 0.934 230 G N -1.214 107.665 108.800 0.132 0.000 2.168 230 G HA2 -0.326 3.634 3.960 -0.000 0.000 0.257 230 G HA3 -0.326 3.634 3.960 -0.000 0.000 0.257 230 G C 0.746 175.671 174.900 0.041 0.000 0.997 230 G CA 0.665 45.855 45.100 0.150 0.000 0.708 230 G HN 0.476 nan 8.290 nan 0.000 0.520 231 Q N -1.319 118.334 119.800 -0.246 0.000 2.331 231 Q HA 0.220 4.560 4.340 -0.000 0.000 0.203 231 Q C 1.809 177.375 176.000 -0.723 0.000 0.944 231 Q CA 1.054 56.491 55.803 -0.610 0.000 0.892 231 Q CB -0.046 28.052 28.738 -1.067 0.000 0.983 231 Q HN 0.714 nan 8.270 nan 0.000 0.482 232 F N -1.068 118.862 119.950 -0.034 0.000 2.746 232 F HA 0.474 5.001 4.527 -0.000 0.000 0.313 232 F C 1.041 176.810 175.800 -0.052 0.000 1.095 232 F CA 0.202 58.158 58.000 -0.074 0.000 1.224 232 F CB 1.071 39.978 39.000 -0.154 0.000 1.060 232 F HN -0.066 nan 8.300 nan 0.000 0.584 233 G N -0.173 108.685 108.800 0.097 0.000 2.340 233 G HA2 0.343 4.303 3.960 -0.000 0.000 0.300 233 G HA3 0.343 4.303 3.960 -0.000 0.000 0.300 233 G C -2.181 172.599 174.900 -0.201 0.000 1.488 233 G CA -0.763 44.331 45.100 -0.009 0.000 0.878 233 G HN -0.086 nan 8.290 nan 0.000 0.618 234 V N 1.237 120.858 119.914 -0.488 0.000 2.439 234 V HA 0.651 4.771 4.120 -0.000 0.000 0.282 234 V C 0.355 176.201 176.094 -0.413 0.000 1.039 234 V CA -0.869 60.910 62.300 -0.869 0.000 0.913 234 V CB 0.781 31.702 31.823 -1.504 0.000 0.983 234 V HN 0.596 nan 8.190 nan 0.000 0.460 235 I N 6.851 127.239 120.570 -0.302 0.000 2.436 235 I HA 0.181 4.351 4.170 -0.000 0.000 0.289 235 I C 1.516 177.529 176.117 -0.172 0.000 1.083 235 I CA 0.383 61.576 61.300 -0.178 0.000 1.372 235 I CB 1.393 39.324 38.000 -0.114 0.000 1.408 235 I HN 0.876 nan 8.210 nan 0.000 0.516 236 T N 2.789 117.258 114.554 -0.141 0.000 3.037 236 T HA 0.157 4.507 4.350 -0.000 0.000 0.252 236 T C 0.787 175.433 174.700 -0.091 0.000 1.073 236 T CA -0.058 61.974 62.100 -0.114 0.000 1.091 236 T CB 0.287 69.097 68.868 -0.097 0.000 0.935 236 T HN 0.533 nan 8.240 nan 0.000 0.488 237 R N 0.338 120.788 120.500 -0.083 0.000 2.548 237 R HA 0.668 5.008 4.340 -0.000 0.000 0.280 237 R C -2.108 174.153 176.300 -0.065 0.000 1.061 237 R CA -0.542 55.514 56.100 -0.073 0.000 0.915 237 R CB 1.908 32.175 30.300 -0.054 0.000 1.210 237 R HN 0.273 nan 8.270 nan 0.000 0.442 238 A N 3.713 126.488 122.820 -0.075 0.000 2.355 238 A HA 0.568 4.888 4.320 -0.000 0.000 0.317 238 A C -0.983 176.575 177.584 -0.044 0.000 1.094 238 A CA -0.768 51.239 52.037 -0.050 0.000 0.764 238 A CB 1.446 20.413 19.000 -0.056 0.000 1.230 238 A HN 0.738 nan 8.150 nan 0.000 0.448 239 R N 2.107 122.590 120.500 -0.028 0.000 2.198 239 R HA 0.576 4.916 4.340 -0.000 0.000 0.339 239 R C -1.270 175.027 176.300 -0.005 0.000 1.020 239 R CA -0.016 56.053 56.100 -0.050 0.000 0.864 239 R CB 0.018 30.200 30.300 -0.196 0.000 1.105 239 R HN 0.647 nan 8.270 nan 0.000 0.463 240 I N 3.738 124.334 120.570 0.044 0.000 2.354 240 I HA 0.373 4.543 4.170 -0.000 0.000 0.292 240 I C 0.361 176.526 176.117 0.079 0.000 0.989 240 I CA -0.817 60.517 61.300 0.057 0.000 1.188 240 I CB 1.954 39.983 38.000 0.049 0.000 1.342 240 I HN 0.687 nan 8.210 nan 0.000 0.457 241 A N 6.449 129.291 122.820 0.038 0.000 2.498 241 A HA 0.519 4.839 4.320 -0.000 0.000 0.239 241 A C -0.035 177.545 177.584 -0.007 0.000 1.068 241 A CA -0.173 51.881 52.037 0.029 0.000 0.766 241 A CB 0.275 19.265 19.000 -0.016 0.000 1.003 241 A HN 0.675 nan 8.150 nan 0.000 0.497 242 V N 0.084 120.004 119.914 0.010 0.000 3.102 242 V HA 0.914 5.033 4.120 -0.000 0.000 0.312 242 V C -0.555 175.525 176.094 -0.023 0.000 1.135 242 V CA -0.653 61.640 62.300 -0.012 0.000 1.022 242 V CB 1.723 33.559 31.823 0.021 0.000 1.056 242 V HN 1.114 nan 8.190 nan 0.000 0.436 243 E N 0.982 121.168 120.200 -0.023 0.000 2.359 243 E HA 0.672 5.022 4.350 -0.000 0.000 0.266 243 E C -3.115 173.482 176.600 -0.005 0.000 0.920 243 E CA -2.587 53.798 56.400 -0.024 0.000 0.788 243 E CB 2.009 31.677 29.700 -0.054 0.000 1.279 243 E HN 0.463 nan 8.360 nan 0.000 0.438 244 P HA 0.004 nan 4.420 nan 0.000 0.262 244 P C -0.863 176.418 177.300 -0.031 0.000 1.182 244 P CA 0.351 63.442 63.100 -0.014 0.000 0.761 244 P CB 0.498 32.188 31.700 -0.018 0.000 0.795 245 A N 6.382 129.194 122.820 -0.013 0.000 2.404 245 A HA 0.398 4.718 4.320 -0.000 0.000 0.273 245 A C -1.765 175.738 177.584 -0.134 0.000 1.144 245 A CA -1.092 50.928 52.037 -0.027 0.000 0.806 245 A CB -0.818 18.227 19.000 0.075 0.000 1.080 245 A HN 0.403 nan 8.150 nan 0.000 0.509 246 P HA 0.266 nan 4.420 nan 0.000 0.272 246 P C 0.577 177.706 177.300 -0.284 0.000 1.223 246 P CA 0.186 63.061 63.100 -0.375 0.000 0.784 246 P CB 1.360 32.689 31.700 -0.618 0.000 0.923 247 A N 3.557 126.238 122.820 -0.232 0.000 1.935 247 A HA 0.056 4.375 4.320 -0.000 0.000 0.214 247 A C 1.092 178.561 177.584 -0.191 0.000 1.178 247 A CA 0.925 52.867 52.037 -0.158 0.000 0.640 247 A CB -0.077 18.834 19.000 -0.147 0.000 0.825 247 A HN 0.562 nan 8.150 nan 0.000 0.447 248 R N -2.431 117.814 120.500 -0.425 0.000 2.799 248 R HA 0.670 5.010 4.340 -0.000 0.000 0.270 248 R C -1.479 174.564 176.300 -0.427 0.000 1.010 248 R CA -0.241 55.579 56.100 -0.467 0.000 0.916 248 R CB 2.062 31.890 30.300 -0.786 0.000 1.228 248 R HN 0.224 nan 8.270 nan 0.000 0.469 249 A N 1.667 124.393 122.820 -0.156 0.000 2.353 249 A HA 0.536 4.856 4.320 -0.000 0.000 0.299 249 A C -0.936 176.738 177.584 0.150 0.000 1.089 249 A CA -0.646 51.357 52.037 -0.057 0.000 0.736 249 A CB 1.361 20.205 19.000 -0.261 0.000 1.195 249 A HN 0.528 nan 8.150 nan 0.000 0.447 250 R N 1.678 122.350 120.500 0.287 0.000 2.347 250 R HA 0.362 4.702 4.340 -0.000 0.000 0.304 250 R C -1.338 175.092 176.300 0.216 0.000 1.072 250 R CA -0.136 56.123 56.100 0.266 0.000 0.980 250 R CB 0.289 30.709 30.300 0.200 0.000 0.986 250 R HN 0.696 nan 8.270 nan 0.000 0.448 251 W N 7.251 128.574 121.300 0.038 0.000 2.499 251 W HA 0.428 5.088 4.660 -0.000 0.000 0.320 251 W C -1.516 175.098 176.519 0.158 0.000 1.010 251 W CA -1.186 56.173 57.345 0.023 0.000 1.267 251 W CB 0.975 30.494 29.460 0.099 0.000 1.316 251 W HN 0.385 nan 8.180 nan 0.000 0.431 252 V N 4.209 124.282 119.914 0.264 0.000 2.715 252 V HA 0.718 4.838 4.120 -0.000 0.000 0.310 252 V C -0.568 175.289 176.094 -0.395 0.000 1.054 252 V CA -1.247 61.031 62.300 -0.036 0.000 0.928 252 V CB 2.050 33.739 31.823 -0.224 0.000 1.007 252 V HN 0.472 nan 8.190 nan 0.000 0.437 253 R N 2.915 123.185 120.500 -0.383 0.000 2.534 253 R HA 0.667 5.007 4.340 -0.000 0.000 0.301 253 R C -1.844 174.554 176.300 0.163 0.000 0.961 253 R CA -0.450 55.464 56.100 -0.309 0.000 0.871 253 R CB 1.977 31.951 30.300 -0.543 0.000 1.170 253 R HN 0.704 nan 8.270 nan 0.000 0.446 254 F N 1.842 121.922 119.950 0.217 0.000 2.482 254 F HA 0.413 4.940 4.527 -0.000 0.000 0.331 254 F C 0.204 176.214 175.800 0.350 0.000 1.115 254 F CA -1.219 56.850 58.000 0.115 0.000 0.955 254 F CB 1.724 40.727 39.000 0.005 0.000 1.136 254 F HN 0.028 nan 8.300 nan 0.000 0.452 255 V N 4.106 124.291 119.914 0.451 0.000 2.483 255 V HA 0.497 4.617 4.120 -0.000 0.000 0.295 255 V C -0.941 175.207 176.094 0.089 0.000 1.035 255 V CA -0.965 61.560 62.300 0.376 0.000 0.896 255 V CB 1.545 33.578 31.823 0.349 0.000 0.986 255 V HN 0.624 nan 8.190 nan 0.000 0.447 256 Y N 1.004 121.462 120.300 0.263 0.000 2.545 256 Y HA 0.473 5.023 4.550 -0.000 0.000 0.348 256 Y C 1.020 177.045 175.900 0.208 0.000 1.002 256 Y CA -0.712 57.533 58.100 0.241 0.000 1.039 256 Y CB 2.527 41.191 38.460 0.339 0.000 1.271 256 Y HN 0.645 nan 8.280 nan 0.000 0.467 257 T N -4.009 110.738 114.554 0.322 0.000 3.010 257 T HA 0.118 4.468 4.350 -0.000 0.000 0.257 257 T C -0.339 174.599 174.700 0.397 0.000 1.020 257 T CA -0.033 62.242 62.100 0.291 0.000 0.938 257 T CB 0.099 69.033 68.868 0.110 0.000 1.049 257 T HN 0.428 nan 8.240 nan 0.000 0.522 258 D N 0.692 121.315 120.400 0.371 0.000 2.392 258 D HA 0.329 4.969 4.640 -0.000 0.000 0.228 258 D C 0.377 176.757 176.300 0.134 0.000 1.074 258 D CA -1.275 52.884 54.000 0.265 0.000 0.838 258 D CB 0.692 41.620 40.800 0.213 0.000 1.067 258 D HN 0.052 nan 8.370 nan 0.000 0.511 259 F N 4.250 124.116 119.950 -0.140 0.000 2.171 259 F HA -0.080 4.447 4.527 -0.000 0.000 0.300 259 F C 1.939 177.660 175.800 -0.132 0.000 1.090 259 F CA 1.655 59.382 58.000 -0.454 0.000 1.293 259 F CB 0.091 38.836 39.000 -0.426 0.000 1.013 259 F HN 0.470 nan 8.300 nan 0.000 0.486 260 A N 0.514 123.363 122.820 0.048 0.000 1.908 260 A HA -0.122 4.198 4.320 -0.000 0.000 0.218 260 A C 2.418 179.931 177.584 -0.119 0.000 1.181 260 A CA 1.950 53.981 52.037 -0.010 0.000 0.627 260 A CB -1.576 17.474 19.000 0.085 0.000 0.818 260 A HN 0.506 nan 8.150 nan 0.000 0.445 261 A N -1.151 121.647 122.820 -0.036 0.000 1.898 261 A HA 0.029 4.349 4.320 -0.000 0.000 0.216 261 A C 2.047 179.493 177.584 -0.231 0.000 1.181 261 A CA 1.561 53.608 52.037 0.017 0.000 0.620 261 A CB -0.724 18.427 19.000 0.251 0.000 0.819 261 A HN 0.769 nan 8.150 nan 0.000 0.442 262 F N 2.304 121.838 119.950 -0.693 0.000 2.069 262 F HA -0.232 4.295 4.527 -0.000 0.000 0.298 262 F C 2.706 178.056 175.800 -0.750 0.000 1.113 262 F CA 2.315 59.594 58.000 -1.201 0.000 1.214 262 F CB -0.620 37.787 39.000 -0.988 0.000 0.978 262 F HN 0.299 nan 8.300 nan 0.000 0.474 263 S N 0.890 115.990 115.700 -1.001 0.000 2.368 263 S HA -0.097 4.373 4.470 -0.000 0.000 0.224 263 S C 2.295 176.650 174.600 -0.409 0.000 1.029 263 S CA 0.830 58.538 58.200 -0.821 0.000 0.988 263 S CB -1.389 61.309 63.200 -0.836 0.000 0.838 263 S HN 0.529 nan 8.310 nan 0.000 0.462 264 A N 2.362 125.000 122.820 -0.303 0.000 1.908 264 A HA -0.141 4.179 4.320 -0.000 0.000 0.218 264 A C 1.979 179.475 177.584 -0.146 0.000 1.181 264 A CA 1.860 53.806 52.037 -0.151 0.000 0.627 264 A CB -1.020 17.931 19.000 -0.082 0.000 0.818 264 A HN 0.483 nan 8.150 nan 0.000 0.445 265 D N -0.690 119.602 120.400 -0.180 0.000 2.144 265 D HA -0.120 4.520 4.640 -0.000 0.000 0.200 265 D C 2.217 178.428 176.300 -0.147 0.000 0.978 265 D CA 1.233 55.184 54.000 -0.081 0.000 0.833 265 D CB -0.342 40.499 40.800 0.068 0.000 0.961 265 D HN 0.598 nan 8.370 nan 0.000 0.470 266 Q N 0.209 119.813 119.800 -0.326 0.000 2.084 266 Q HA -0.143 4.197 4.340 -0.000 0.000 0.202 266 Q C 2.003 177.832 176.000 -0.285 0.000 0.978 266 Q CA 1.033 56.630 55.803 -0.343 0.000 0.844 266 Q CB -0.008 28.436 28.738 -0.490 0.000 0.898 266 Q HN 0.423 nan 8.270 nan 0.000 0.426 267 E N 0.144 120.209 120.200 -0.225 0.000 2.106 267 E HA -0.165 4.185 4.350 -0.000 0.000 0.192 267 E C 2.018 178.551 176.600 -0.112 0.000 0.984 267 E CA 0.457 56.757 56.400 -0.167 0.000 0.806 267 E CB 0.005 29.650 29.700 -0.092 0.000 0.750 267 E HN 0.180 nan 8.360 nan 0.000 0.458 268 R N 0.636 121.084 120.500 -0.088 0.000 2.080 268 R HA -0.120 4.220 4.340 -0.000 0.000 0.236 268 R C 2.346 178.623 176.300 -0.038 0.000 1.137 268 R CA 1.163 57.239 56.100 -0.039 0.000 0.943 268 R CB -0.193 30.100 30.300 -0.013 0.000 0.846 268 R HN 0.153 nan 8.270 nan 0.000 0.431 269 L N -0.272 120.902 121.223 -0.080 0.000 2.191 269 L HA -0.113 4.227 4.340 -0.000 0.000 0.212 269 L C 1.977 178.721 176.870 -0.210 0.000 1.103 269 L CA 1.584 56.364 54.840 -0.100 0.000 0.769 269 L CB -0.292 41.693 42.059 -0.124 0.000 0.908 269 L HN 0.413 nan 8.230 nan 0.000 0.438 270 T N -3.678 110.692 114.554 -0.307 0.000 3.092 270 T HA 0.424 4.774 4.350 -0.000 0.000 0.258 270 T C 0.653 175.467 174.700 0.191 0.000 1.031 270 T CA -0.017 61.852 62.100 -0.385 0.000 0.925 270 T CB 0.113 68.547 68.868 -0.723 0.000 1.036 270 T HN 0.139 nan 8.240 nan 0.000 0.544 271 A N 2.907 125.801 122.820 0.124 0.000 2.425 271 A HA 0.587 4.907 4.320 -0.000 0.000 0.249 271 A C -2.383 175.296 177.584 0.158 0.000 1.084 271 A CA -1.398 50.719 52.037 0.134 0.000 0.781 271 A CB -0.180 18.842 19.000 0.036 0.000 1.019 271 A HN 0.261 nan 8.150 nan 0.000 0.490 272 P HA 0.117 nan 4.420 nan 0.000 0.269 272 P C 0.220 177.373 177.300 -0.244 0.000 1.209 272 P CA -0.176 62.656 63.100 -0.447 0.000 0.776 272 P CB 0.429 31.898 31.700 -0.386 0.000 0.876 281 F N 1.466 121.401 119.950 -0.025 0.000 2.640 281 F HA 0.738 5.265 4.527 -0.000 0.000 0.324 281 F C 1.325 177.161 175.800 0.061 0.000 1.077 281 F CA -0.081 57.937 58.000 0.030 0.000 0.965 281 F CB 1.159 40.169 39.000 0.017 0.000 1.351 281 F HN 0.750 nan 8.300 nan 0.000 0.487 282 G N 0.548 109.536 108.800 0.314 0.000 2.593 282 G HA2 0.211 4.171 3.960 -0.000 0.000 0.279 282 G HA3 0.211 4.171 3.960 -0.000 0.000 0.279 282 G C -1.978 173.041 174.900 0.199 0.000 1.329 282 G CA -0.541 44.680 45.100 0.202 0.000 1.036 282 G HN 0.463 nan 8.290 nan 0.000 0.555 283 P HA 0.060 nan 4.420 nan 0.000 0.224 283 P C 0.833 178.228 177.300 0.158 0.000 1.157 283 P CA 0.503 63.684 63.100 0.134 0.000 0.799 283 P CB 0.152 31.916 31.700 0.107 0.000 0.809 284 M N 0.096 119.809 119.600 0.187 0.000 2.248 284 M HA 0.027 4.507 4.480 -0.000 0.000 0.345 284 M C 1.205 177.669 176.300 0.273 0.000 1.243 284 M CA 0.743 56.161 55.300 0.195 0.000 1.090 284 M CB -0.232 32.453 32.600 0.141 0.000 1.683 284 M HN -0.133 nan 8.290 nan 0.000 0.450 285 S N 2.197 118.025 115.700 0.214 0.000 2.503 285 S HA 0.072 4.542 4.470 -0.000 0.000 0.217 285 S C -0.135 174.666 174.600 0.336 0.000 0.999 285 S CA 0.183 58.509 58.200 0.210 0.000 0.914 285 S CB 0.083 63.359 63.200 0.126 0.000 0.782 285 S HN 0.691 nan 8.310 nan 0.000 0.520 286 Y N 0.344 120.752 120.300 0.180 0.000 2.436 286 Y HA 0.508 5.058 4.550 -0.000 0.000 0.327 286 Y C -2.119 173.802 175.900 0.034 0.000 1.138 286 Y CA -0.865 57.325 58.100 0.150 0.000 1.042 286 Y CB 1.129 39.611 38.460 0.038 0.000 1.302 286 Y HN -0.212 nan 8.280 nan 0.000 0.439 287 V N 6.516 126.162 119.914 -0.446 0.000 2.524 287 V HA 0.465 4.585 4.120 -0.000 0.000 0.297 287 V C -0.694 174.929 176.094 -0.786 0.000 1.035 287 V CA -0.550 61.440 62.300 -0.517 0.000 0.867 287 V CB 1.534 33.006 31.823 -0.585 0.000 1.004 287 V HN 0.908 nan 8.190 nan 0.000 0.426 288 E N 2.062 121.899 120.200 -0.604 0.000 2.476 288 E HA 0.897 5.247 4.350 -0.000 0.000 0.246 288 E C -0.244 176.383 176.600 0.045 0.000 0.872 288 E CA -0.897 55.238 56.400 -0.441 0.000 0.867 288 E CB 2.758 32.173 29.700 -0.476 0.000 1.533 288 E HN 0.797 nan 8.360 nan 0.000 0.399 289 G N -0.247 108.713 108.800 0.266 0.000 2.601 289 G HA2 0.504 4.464 3.960 -0.000 0.000 0.291 289 G HA3 0.504 4.464 3.960 -0.000 0.000 0.291 289 G C -1.453 173.636 174.900 0.316 0.000 1.456 289 G CA -0.554 44.804 45.100 0.429 0.000 0.804 289 G HN 0.393 nan 8.290 nan 0.000 0.499 290 S N -1.269 114.541 115.700 0.183 0.000 2.595 290 S HA 0.832 5.301 4.470 -0.000 0.000 0.281 290 S C -0.945 173.366 174.600 -0.481 0.000 1.117 290 S CA -0.882 57.208 58.200 -0.183 0.000 0.873 290 S CB 2.038 65.046 63.200 -0.321 0.000 1.108 290 S HN 0.925 nan 8.310 nan 0.000 0.477 291 V N 1.479 120.925 119.914 -0.781 0.000 2.628 291 V HA 0.621 4.741 4.120 -0.000 0.000 0.306 291 V C -1.519 173.972 176.094 -1.004 0.000 1.045 291 V CA -0.627 61.158 62.300 -0.857 0.000 0.905 291 V CB 1.020 32.220 31.823 -1.039 0.000 0.997 291 V HN 0.854 nan 8.190 nan 0.000 0.436 292 F N 3.275 123.004 119.950 -0.367 0.000 2.499 292 F HA 0.577 5.104 4.527 -0.000 0.000 0.333 292 F C 0.148 175.814 175.800 -0.224 0.000 1.138 292 F CA -1.011 56.857 58.000 -0.220 0.000 0.945 292 F CB 1.847 40.750 39.000 -0.161 0.000 1.181 292 F HN 0.413 nan 8.300 nan 0.000 0.435 293 V N 0.459 120.368 119.914 -0.008 0.000 2.775 293 V HA 0.283 4.403 4.120 -0.000 0.000 0.299 293 V C 1.080 177.182 176.094 0.013 0.000 1.062 293 V CA -0.481 61.813 62.300 -0.011 0.000 1.063 293 V CB 1.331 33.168 31.823 0.022 0.000 0.994 293 V HN 0.840 nan 8.190 nan 0.000 0.483 294 N N 2.598 121.293 118.700 -0.007 0.000 2.061 294 N HA -0.281 4.458 4.740 -0.000 0.000 0.193 294 N C 1.781 177.293 175.510 0.004 0.000 1.030 294 N CA 2.355 55.400 53.050 -0.008 0.000 0.856 294 N CB -0.378 38.101 38.487 -0.013 0.000 1.023 294 N HN 0.977 nan 8.380 nan 0.000 0.424 295 Q N -0.543 119.263 119.800 0.010 0.000 2.152 295 Q HA -0.095 4.245 4.340 -0.000 0.000 0.206 295 Q C 0.271 176.285 176.000 0.023 0.000 0.985 295 Q CA 1.844 57.654 55.803 0.013 0.000 0.863 295 Q CB -0.088 28.657 28.738 0.012 0.000 0.904 295 Q HN 0.512 nan 8.270 nan 0.000 0.422 296 S N -0.586 115.137 115.700 0.039 0.000 2.651 296 S HA 0.134 4.604 4.470 -0.000 0.000 0.246 296 S C 0.921 175.560 174.600 0.064 0.000 1.039 296 S CA -0.414 57.818 58.200 0.054 0.000 1.013 296 S CB 0.564 63.808 63.200 0.073 0.000 0.861 296 S HN 0.327 nan 8.310 nan 0.000 0.485 297 L N 2.757 124.002 121.223 0.037 0.000 1.971 297 L HA -0.028 4.312 4.340 -0.000 0.000 0.215 297 L C 2.520 179.372 176.870 -0.030 0.000 1.072 297 L CA 2.492 57.339 54.840 0.012 0.000 0.758 297 L CB -1.307 40.731 42.059 -0.035 0.000 0.889 297 L HN 0.400 nan 8.230 nan 0.000 0.433 298 A N -1.826 120.973 122.820 -0.034 0.000 1.883 298 A HA -0.226 4.094 4.320 -0.000 0.000 0.217 298 A C 2.272 179.852 177.584 -0.005 0.000 1.186 298 A CA 2.499 54.509 52.037 -0.046 0.000 0.624 298 A CB -1.343 17.639 19.000 -0.030 0.000 0.822 298 A HN 0.559 nan 8.150 nan 0.000 0.444 299 T N 0.288 114.860 114.554 0.030 0.000 2.652 299 T HA -0.150 4.200 4.350 -0.000 0.000 0.267 299 T C 1.548 176.308 174.700 0.099 0.000 1.039 299 T CA 1.742 63.877 62.100 0.060 0.000 1.153 299 T CB -0.488 68.419 68.868 0.065 0.000 0.863 299 T HN 0.492 nan 8.240 nan 0.000 0.428 300 D N 0.903 121.387 120.400 0.140 0.000 2.144 300 D HA 0.015 4.655 4.640 -0.000 0.000 0.200 300 D C 2.165 178.641 176.300 0.294 0.000 0.978 300 D CA 0.583 54.735 54.000 0.253 0.000 0.833 300 D CB -0.420 40.595 40.800 0.359 0.000 0.961 300 D HN 0.310 nan 8.370 nan 0.000 0.470 301 L N 0.639 121.902 121.223 0.067 0.000 2.017 301 L HA -0.147 4.193 4.340 -0.000 0.000 0.208 301 L C 2.471 179.430 176.870 0.148 0.000 1.073 301 L CA 1.228 56.016 54.840 -0.087 0.000 0.745 301 L CB -0.414 41.428 42.059 -0.361 0.000 0.894 301 L HN -0.009 nan 8.230 nan 0.000 0.432 302 A N -0.250 122.624 122.820 0.090 0.000 2.015 302 A HA -0.175 4.145 4.320 -0.000 0.000 0.219 302 A C 1.918 179.575 177.584 0.121 0.000 1.163 302 A CA 1.580 53.676 52.037 0.099 0.000 0.646 302 A CB -0.480 18.555 19.000 0.058 0.000 0.806 302 A HN 0.410 nan 8.150 nan 0.000 0.448 303 N N -0.044 118.745 118.700 0.148 0.000 2.459 303 N HA -0.093 4.646 4.740 -0.000 0.000 0.181 303 N C 1.823 177.437 175.510 0.174 0.000 1.046 303 N CA 1.620 54.763 53.050 0.156 0.000 0.904 303 N CB -0.530 38.057 38.487 0.167 0.000 0.964 303 N HN 0.710 nan 8.380 nan 0.000 0.444 304 T N -3.069 111.608 114.554 0.206 0.000 2.881 304 T HA -0.021 4.329 4.350 -0.000 0.000 0.270 304 T C 1.621 176.400 174.700 0.131 0.000 1.068 304 T CA 1.329 63.543 62.100 0.189 0.000 1.131 304 T CB -0.471 68.503 68.868 0.177 0.000 0.871 304 T HN 0.270 nan 8.240 nan 0.000 0.479 305 G N 0.159 109.014 108.800 0.091 0.000 2.162 305 G HA2 -0.290 3.670 3.960 -0.000 0.000 0.260 305 G HA3 -0.290 3.670 3.960 -0.000 0.000 0.260 305 G C 0.342 175.210 174.900 -0.053 0.000 0.976 305 G CA 0.399 45.523 45.100 0.040 0.000 0.655 305 G HN 0.579 nan 8.290 nan 0.000 0.533 306 F N -0.147 119.619 119.950 -0.307 0.000 2.514 306 F HA 0.582 5.109 4.527 -0.000 0.000 0.281 306 F C 0.888 176.366 175.800 -0.537 0.000 1.060 306 F CA -0.332 57.320 58.000 -0.579 0.000 1.397 306 F CB 0.368 38.846 39.000 -0.870 0.000 1.129 306 F HN -0.015 nan 8.300 nan 0.000 0.620 307 F N 1.820 121.766 119.950 -0.006 0.000 2.396 307 F HA 0.281 4.808 4.527 -0.000 0.000 0.343 307 F C 1.071 176.781 175.800 -0.149 0.000 1.104 307 F CA -1.108 56.802 58.000 -0.150 0.000 1.161 307 F CB 0.238 39.097 39.000 -0.234 0.000 1.146 307 F HN -0.127 nan 8.300 nan 0.000 0.522 308 T N -1.437 113.143 114.554 0.042 0.000 2.748 308 T HA 0.040 4.390 4.350 -0.000 0.000 0.304 308 T C 0.887 175.596 174.700 0.015 0.000 1.041 308 T CA -0.705 61.399 62.100 0.006 0.000 1.033 308 T CB 0.673 69.540 68.868 -0.003 0.000 0.995 308 T HN 0.510 nan 8.240 nan 0.000 0.536 309 D N 0.790 121.192 120.400 0.002 0.000 2.221 309 D HA -0.054 4.586 4.640 -0.000 0.000 0.204 309 D C 2.248 178.540 176.300 -0.014 0.000 0.982 309 D CA 1.511 55.508 54.000 -0.005 0.000 0.857 309 D CB -0.640 40.159 40.800 -0.003 0.000 0.934 309 D HN 0.738 nan 8.370 nan 0.000 0.475 310 A N 1.102 123.919 122.820 -0.005 0.000 1.897 310 A HA -0.154 4.166 4.320 -0.000 0.000 0.215 310 A C 1.822 179.403 177.584 -0.005 0.000 1.181 310 A CA 1.339 53.376 52.037 0.000 0.000 0.620 310 A CB -0.240 18.767 19.000 0.013 0.000 0.821 310 A HN -0.004 nan 8.150 nan 0.000 0.443 311 D N 0.077 120.471 120.400 -0.009 0.000 2.104 311 D HA -0.137 4.503 4.640 -0.000 0.000 0.194 311 D C 2.096 178.245 176.300 -0.252 0.000 0.994 311 D CA 1.611 55.551 54.000 -0.098 0.000 0.830 311 D CB -0.607 40.091 40.800 -0.170 0.000 0.959 311 D HN 0.211 nan 8.370 nan 0.000 0.452 312 V N 1.623 121.409 119.914 -0.215 0.000 2.255 312 V HA -0.272 3.848 4.120 -0.000 0.000 0.247 312 V C 2.604 178.609 176.094 -0.147 0.000 1.051 312 V CA 1.948 64.102 62.300 -0.243 0.000 1.018 312 V CB -0.955 30.790 31.823 -0.131 0.000 0.641 312 V HN 0.203 nan 8.190 nan 0.000 0.445 313 A N 0.170 122.946 122.820 -0.073 0.000 1.892 313 A HA -0.276 4.044 4.320 -0.000 0.000 0.218 313 A C 2.357 179.941 177.584 0.000 0.000 1.188 313 A CA 2.182 54.200 52.037 -0.032 0.000 0.631 313 A CB -0.569 18.423 19.000 -0.013 0.000 0.822 313 A HN 0.552 nan 8.150 nan 0.000 0.447 314 R N -0.700 119.814 120.500 0.024 0.000 2.091 314 R HA -0.114 4.226 4.340 -0.000 0.000 0.238 314 R C 2.031 178.482 176.300 0.252 0.000 1.136 314 R CA 1.726 57.899 56.100 0.121 0.000 0.959 314 R CB -0.587 29.769 30.300 0.093 0.000 0.856 314 R HN 0.593 nan 8.270 nan 0.000 0.437 315 I N 0.254 120.909 120.570 0.141 0.000 2.286 315 I HA -0.216 3.954 4.170 -0.000 0.000 0.245 315 I C 2.338 178.424 176.117 -0.053 0.000 1.104 315 I CA 0.897 62.237 61.300 0.066 0.000 1.397 315 I CB -0.205 37.648 38.000 -0.244 0.000 1.072 315 I HN -0.066 nan 8.210 nan 0.000 0.417 316 V N 1.104 120.973 119.914 -0.075 0.000 2.332 316 V HA -0.331 3.789 4.120 -0.000 0.000 0.248 316 V C 2.721 178.799 176.094 -0.026 0.000 1.055 316 V CA 2.084 64.345 62.300 -0.064 0.000 1.038 316 V CB -1.041 30.747 31.823 -0.058 0.000 0.651 316 V HN 0.506 nan 8.190 nan 0.000 0.450 317 A N -0.111 122.716 122.820 0.012 0.000 1.877 317 A HA -0.208 4.112 4.320 -0.000 0.000 0.216 317 A C 2.173 179.773 177.584 0.026 0.000 1.186 317 A CA 2.130 54.185 52.037 0.030 0.000 0.620 317 A CB -0.635 18.401 19.000 0.060 0.000 0.822 317 A HN 0.470 nan 8.150 nan 0.000 0.443 318 L N -0.012 121.234 121.223 0.037 0.000 1.990 318 L HA -0.157 4.183 4.340 -0.000 0.000 0.213 318 L C 2.642 179.460 176.870 -0.086 0.000 1.072 318 L CA 2.594 57.399 54.840 -0.059 0.000 0.755 318 L CB -0.879 40.995 42.059 -0.309 0.000 0.889 318 L HN 0.347 nan 8.230 nan 0.000 0.432 319 A N -0.522 122.244 122.820 -0.090 0.000 1.908 319 A HA -0.091 4.229 4.320 -0.000 0.000 0.218 319 A C 2.343 179.905 177.584 -0.037 0.000 1.181 319 A CA 1.705 53.701 52.037 -0.069 0.000 0.627 319 A CB -1.668 17.287 19.000 -0.076 0.000 0.818 319 A HN 0.588 nan 8.150 nan 0.000 0.445 320 G N 0.547 109.331 108.800 -0.027 0.000 2.421 320 G HA2 -0.251 3.708 3.960 -0.000 0.000 0.216 320 G HA3 -0.251 3.708 3.960 -0.000 0.000 0.216 320 G C 1.400 176.296 174.900 -0.007 0.000 1.171 320 G CA 1.054 46.146 45.100 -0.013 0.000 0.775 320 G HN 0.803 nan 8.290 nan 0.000 0.543 321 E N 0.159 120.356 120.200 -0.004 0.000 2.265 321 E HA -0.096 4.254 4.350 -0.000 0.000 0.196 321 E C 2.116 178.715 176.600 -0.002 0.000 0.996 321 E CA 0.630 57.031 56.400 0.001 0.000 0.832 321 E CB -0.164 29.542 29.700 0.010 0.000 0.756 321 E HN 0.382 nan 8.360 nan 0.000 0.491 322 R N 0.221 120.715 120.500 -0.010 0.000 2.397 322 R HA 0.147 4.487 4.340 -0.000 0.000 0.241 322 R C -0.352 175.951 176.300 0.004 0.000 0.914 322 R CA 0.287 56.385 56.100 -0.003 0.000 1.071 322 R CB 0.071 30.365 30.300 -0.010 0.000 1.116 322 R HN 0.203 nan 8.270 nan 0.000 0.524 323 N N 0.421 119.121 118.700 0.000 0.000 2.714 323 N HA -0.231 4.509 4.740 -0.000 0.000 0.252 323 N C -0.826 174.689 175.510 0.007 0.000 1.014 323 N CA 0.347 53.399 53.050 0.003 0.000 0.735 323 N CB -0.664 37.827 38.487 0.007 0.000 0.924 323 N HN 0.259 nan 8.380 nan 0.000 0.540 324 A N 0.113 122.934 122.820 0.002 0.000 2.362 324 A HA 0.446 4.766 4.320 -0.000 0.000 0.276 324 A C 1.549 179.131 177.584 -0.003 0.000 1.153 324 A CA 0.137 52.180 52.037 0.010 0.000 0.813 324 A CB 0.399 19.402 19.000 0.005 0.000 1.081 324 A HN 0.420 nan 8.150 nan 0.000 0.507 325 T N -0.780 113.779 114.554 0.007 0.000 3.067 325 T HA 0.157 4.507 4.350 -0.000 0.000 0.261 325 T C 0.715 175.395 174.700 -0.033 0.000 1.110 325 T CA 1.107 63.204 62.100 -0.005 0.000 1.113 325 T CB -0.509 68.364 68.868 0.008 0.000 0.917 325 T HN 1.210 nan 8.240 nan 0.000 0.499 326 T N -0.746 113.770 114.554 -0.062 0.000 2.933 326 T HA 0.676 5.025 4.350 -0.000 0.000 0.305 326 T C -1.175 173.318 174.700 -0.345 0.000 1.092 326 T CA -0.782 61.187 62.100 -0.219 0.000 1.008 326 T CB 2.077 70.785 68.868 -0.268 0.000 1.102 326 T HN 0.003 nan 8.240 nan 0.000 0.469 327 V N 3.044 122.717 119.914 -0.403 0.000 2.628 327 V HA 0.625 4.745 4.120 -0.000 0.000 0.306 327 V C -1.279 174.545 176.094 -0.450 0.000 1.045 327 V CA -0.892 61.236 62.300 -0.287 0.000 0.905 327 V CB 1.487 33.246 31.823 -0.107 0.000 0.997 327 V HN 0.950 nan 8.190 nan 0.000 0.436 328 Y N 1.386 121.704 120.300 0.031 0.000 2.468 328 Y HA 0.709 5.259 4.550 -0.000 0.000 0.342 328 Y C 0.334 176.301 175.900 0.111 0.000 1.021 328 Y CA -0.706 57.250 58.100 -0.240 0.000 1.079 328 Y CB 2.234 40.105 38.460 -0.983 0.000 1.226 328 Y HN 0.526 nan 8.280 nan 0.000 0.460 329 S N 2.678 118.572 115.700 0.324 0.000 2.614 329 S HA 0.579 5.049 4.470 -0.000 0.000 0.288 329 S C -1.099 173.877 174.600 0.626 0.000 1.137 329 S CA -0.564 57.978 58.200 0.570 0.000 0.992 329 S CB 0.345 63.911 63.200 0.609 0.000 1.026 329 S HN 0.595 nan 8.310 nan 0.000 0.486 330 I N 3.637 124.630 120.570 0.704 0.000 2.474 330 I HA 0.316 4.485 4.170 -0.000 0.000 0.287 330 I C 0.542 176.760 176.117 0.168 0.000 1.048 330 I CA -0.139 61.435 61.300 0.457 0.000 1.383 330 I CB 1.038 39.299 38.000 0.435 0.000 1.412 330 I HN 0.647 nan 8.210 nan 0.000 0.531 331 E N 5.589 125.862 120.200 0.122 0.000 2.165 331 E HA 0.694 5.044 4.350 -0.000 0.000 0.266 331 E C -1.533 175.162 176.600 0.159 0.000 0.889 331 E CA -0.627 55.835 56.400 0.103 0.000 0.756 331 E CB 1.748 31.608 29.700 0.267 0.000 1.131 331 E HN 0.726 nan 8.360 nan 0.000 0.411 332 A N 2.852 125.720 122.820 0.080 0.000 2.539 332 A HA 0.718 5.038 4.320 -0.000 0.000 0.296 332 A C -0.596 177.046 177.584 0.096 0.000 1.073 332 A CA -0.600 51.511 52.037 0.122 0.000 0.700 332 A CB 1.870 20.845 19.000 -0.041 0.000 1.296 332 A HN 0.594 nan 8.150 nan 0.000 0.405 333 T N -1.345 113.244 114.554 0.058 0.000 2.916 333 T HA 0.705 5.055 4.350 -0.000 0.000 0.292 333 T C -1.295 173.409 174.700 0.008 0.000 1.064 333 T CA -0.616 61.420 62.100 -0.107 0.000 1.011 333 T CB 1.427 69.937 68.868 -0.596 0.000 1.152 333 T HN 1.258 nan 8.240 nan 0.000 0.510 334 L N 2.539 123.780 121.223 0.030 0.000 2.372 334 L HA 0.542 4.881 4.340 -0.000 0.000 0.273 334 L C -0.951 175.988 176.870 0.116 0.000 0.989 334 L CA -0.550 54.343 54.840 0.088 0.000 0.841 334 L CB 1.292 43.419 42.059 0.113 0.000 1.225 334 L HN 0.686 nan 8.230 nan 0.000 0.414 335 N N 4.049 122.776 118.700 0.045 0.000 2.525 335 N HA 0.435 5.175 4.740 -0.000 0.000 0.271 335 N C -0.894 174.675 175.510 0.098 0.000 1.194 335 N CA 0.169 53.199 53.050 -0.032 0.000 0.964 335 N CB 0.959 39.330 38.487 -0.193 0.000 1.126 335 N HN 0.622 nan 8.380 nan 0.000 0.452 345 A N 0.309 123.086 122.820 -0.071 0.000 1.897 345 A HA 0.219 4.539 4.320 -0.000 0.000 0.215 345 A C 2.006 179.539 177.584 -0.085 0.000 1.181 345 A CA 2.045 54.046 52.037 -0.059 0.000 0.620 345 A CB -0.826 18.147 19.000 -0.044 0.000 0.821 345 A HN 0.842 nan 8.150 nan 0.000 0.443 346 V N 0.806 120.617 119.914 -0.172 0.000 2.343 346 V HA -0.267 3.853 4.120 -0.000 0.000 0.247 346 V C 2.182 178.210 176.094 -0.110 0.000 1.051 346 V CA 2.277 64.449 62.300 -0.214 0.000 1.036 346 V CB -0.907 30.610 31.823 -0.511 0.000 0.654 346 V HN 0.475 nan 8.190 nan 0.000 0.451 347 D N -0.313 120.031 120.400 -0.094 0.000 2.106 347 D HA -0.225 4.415 4.640 -0.000 0.000 0.191 347 D C 2.228 178.521 176.300 -0.011 0.000 0.997 347 D CA 1.753 55.730 54.000 -0.039 0.000 0.834 347 D CB -0.249 40.531 40.800 -0.033 0.000 0.956 347 D HN 0.411 nan 8.370 nan 0.000 0.448 348 Q N 0.771 120.561 119.800 -0.016 0.000 2.123 348 Q HA -0.101 4.238 4.340 -0.000 0.000 0.199 348 Q C 1.882 177.889 176.000 0.012 0.000 0.966 348 Q CA 1.471 57.274 55.803 0.000 0.000 0.845 348 Q CB -0.213 28.523 28.738 -0.003 0.000 0.907 348 Q HN 0.420 nan 8.270 nan 0.000 0.439 349 E N -0.749 119.455 120.200 0.006 0.000 2.051 349 E HA -0.207 4.143 4.350 -0.000 0.000 0.192 349 E C 1.812 178.441 176.600 0.049 0.000 0.991 349 E CA 1.254 57.668 56.400 0.024 0.000 0.799 349 E CB -0.236 29.474 29.700 0.017 0.000 0.748 349 E HN 0.352 nan 8.360 nan 0.000 0.449 350 L N 0.931 122.184 121.223 0.049 0.000 2.017 350 L HA -0.110 4.229 4.340 -0.000 0.000 0.208 350 L C 2.310 179.240 176.870 0.101 0.000 1.073 350 L CA 2.279 57.175 54.840 0.093 0.000 0.745 350 L CB -0.886 41.229 42.059 0.093 0.000 0.894 350 L HN 0.214 nan 8.230 nan 0.000 0.432 351 A N -1.493 121.367 122.820 0.067 0.000 1.908 351 A HA -0.229 4.091 4.320 -0.000 0.000 0.218 351 A C 2.407 180.024 177.584 0.054 0.000 1.181 351 A CA 2.183 54.254 52.037 0.058 0.000 0.627 351 A CB -1.057 17.963 19.000 0.033 0.000 0.818 351 A HN 0.541 nan 8.150 nan 0.000 0.445 352 S N -0.584 115.145 115.700 0.048 0.000 2.356 352 S HA -0.136 4.334 4.470 -0.000 0.000 0.223 352 S C 1.929 176.564 174.600 0.058 0.000 1.032 352 S CA 1.487 59.712 58.200 0.042 0.000 1.005 352 S CB -0.506 62.715 63.200 0.036 0.000 0.867 352 S HN 0.361 nan 8.310 nan 0.000 0.449 353 V N 2.248 122.212 119.914 0.084 0.000 2.295 353 V HA -0.145 3.974 4.120 -0.000 0.000 0.246 353 V C 2.184 178.353 176.094 0.125 0.000 1.049 353 V CA 1.511 63.877 62.300 0.109 0.000 1.024 353 V CB -0.761 31.148 31.823 0.143 0.000 0.648 353 V HN 0.427 nan 8.190 nan 0.000 0.447 354 L N 0.578 121.885 121.223 0.140 0.000 2.131 354 L HA -0.105 4.235 4.340 -0.000 0.000 0.210 354 L C 2.547 179.455 176.870 0.064 0.000 1.092 354 L CA 1.555 56.471 54.840 0.128 0.000 0.759 354 L CB -1.087 41.041 42.059 0.116 0.000 0.903 354 L HN 0.507 nan 8.230 nan 0.000 0.435 355 G N -0.545 108.276 108.800 0.034 0.000 2.498 355 G HA2 -0.232 3.728 3.960 -0.000 0.000 0.219 355 G HA3 -0.232 3.728 3.960 -0.000 0.000 0.219 355 G C 1.573 176.461 174.900 -0.021 0.000 1.119 355 G CA 1.138 46.229 45.100 -0.015 0.000 0.766 355 G HN 0.477 nan 8.290 nan 0.000 0.552 356 T N -1.455 113.107 114.554 0.014 0.000 3.100 356 T HA 0.410 4.760 4.350 -0.000 0.000 0.253 356 T C 0.936 175.645 174.700 0.016 0.000 1.118 356 T CA -0.205 61.904 62.100 0.015 0.000 1.058 356 T CB -0.049 68.841 68.868 0.036 0.000 0.953 356 T HN 0.096 nan 8.240 nan 0.000 0.515 357 L N 0.325 121.554 121.223 0.010 0.000 2.376 357 L HA 0.581 4.921 4.340 -0.000 0.000 0.267 357 L C 0.426 177.236 176.870 -0.101 0.000 1.035 357 L CA -1.044 53.824 54.840 0.048 0.000 0.800 357 L CB 1.504 43.688 42.059 0.208 0.000 1.290 357 L HN -0.038 nan 8.230 nan 0.000 0.462 358 S N -1.209 114.495 115.700 0.006 0.000 2.902 358 S HA 0.217 4.687 4.470 -0.000 0.000 0.250 358 S C -0.413 174.116 174.600 -0.118 0.000 1.046 358 S CA -0.608 57.541 58.200 -0.085 0.000 1.069 358 S CB -0.213 63.016 63.200 0.048 0.000 0.967 358 S HN 0.462 nan 8.310 nan 0.000 0.530 359 Y N -0.141 119.983 120.300 -0.293 0.000 2.335 359 Y HA 0.532 5.082 4.550 -0.000 0.000 0.348 359 Y C 0.251 175.917 175.900 -0.390 0.000 1.280 359 Y CA -1.268 56.306 58.100 -0.877 0.000 1.504 359 Y CB -0.187 37.769 38.460 -0.839 0.000 1.366 359 Y HN -0.095 nan 8.280 nan 0.000 0.621 360 V N 2.318 122.149 119.914 -0.138 0.000 2.485 360 V HA -0.020 4.100 4.120 -0.000 0.000 0.287 360 V C 0.386 176.590 176.094 0.183 0.000 1.022 360 V CA -0.268 62.015 62.300 -0.027 0.000 1.067 360 V CB -0.179 31.548 31.823 -0.159 0.000 0.967 360 V HN 0.753 nan 8.190 nan 0.000 0.479 361 E N 4.094 124.312 120.200 0.029 0.000 2.502 361 E HA 0.303 4.653 4.350 -0.000 0.000 0.261 361 E C 1.233 177.948 176.600 0.191 0.000 0.974 361 E CA 1.329 57.758 56.400 0.048 0.000 0.936 361 E CB 0.349 30.026 29.700 -0.037 0.000 0.926 361 E HN 0.953 nan 8.360 nan 0.000 0.459 362 G N 3.336 112.181 108.800 0.076 0.000 2.199 362 G HA2 -0.289 3.671 3.960 -0.000 0.000 0.254 362 G HA3 -0.289 3.671 3.960 -0.000 0.000 0.254 362 G C 0.411 175.031 174.900 -0.467 0.000 0.982 362 G CA 0.206 45.214 45.100 -0.153 0.000 0.632 362 G HN 0.456 nan 8.290 nan 0.000 0.529 363 F N 1.757 121.641 119.950 -0.109 0.000 2.908 363 F HA 0.691 5.218 4.527 -0.000 0.000 0.328 363 F C 0.958 176.600 175.800 -0.263 0.000 1.211 363 F CA -0.048 57.825 58.000 -0.213 0.000 1.291 363 F CB 0.995 40.052 39.000 0.094 0.000 0.962 363 F HN 0.396 nan 8.300 nan 0.000 0.505 364 A N 0.598 123.218 122.820 -0.333 0.000 2.271 364 A HA 0.724 5.044 4.320 -0.000 0.000 0.317 364 A C -1.016 176.411 177.584 -0.261 0.000 1.245 364 A CA -0.238 51.701 52.037 -0.164 0.000 0.857 364 A CB 0.115 18.973 19.000 -0.238 0.000 1.175 364 A HN 0.254 nan 8.150 nan 0.000 0.512 365 F N 0.724 120.843 119.950 0.282 0.000 2.469 365 F HA 0.596 5.123 4.527 -0.000 0.000 0.332 365 F C 0.485 176.460 175.800 0.291 0.000 1.103 365 F CA -0.304 57.871 58.000 0.292 0.000 0.979 365 F CB 2.128 41.418 39.000 0.484 0.000 1.137 365 F HN 0.611 nan 8.300 nan 0.000 0.463 366 Q N 3.088 123.089 119.800 0.335 0.000 2.337 366 Q HA 0.576 4.916 4.340 -0.000 0.000 0.270 366 Q C -1.067 174.969 176.000 0.060 0.000 1.043 366 Q CA -0.831 55.106 55.803 0.224 0.000 0.794 366 Q CB 2.061 30.890 28.738 0.152 0.000 1.281 366 Q HN 0.701 nan 8.270 nan 0.000 0.446 367 R N 1.463 121.992 120.500 0.049 0.000 2.854 367 R HA 0.453 4.793 4.340 -0.000 0.000 0.271 367 R C -1.444 174.948 176.300 0.155 0.000 0.996 367 R CA -0.750 55.310 56.100 -0.066 0.000 0.961 367 R CB 1.720 31.787 30.300 -0.389 0.000 1.182 367 R HN 0.600 nan 8.270 nan 0.000 0.479 368 D N 1.916 122.402 120.400 0.142 0.000 2.686 368 D HA 0.337 4.976 4.640 -0.000 0.000 0.249 368 D C -1.181 175.230 176.300 0.185 0.000 1.260 368 D CA -0.331 53.792 54.000 0.204 0.000 0.910 368 D CB 1.757 42.665 40.800 0.180 0.000 1.323 368 D HN 0.329 nan 8.370 nan 0.000 0.561 369 V N 0.065 120.106 119.914 0.212 0.000 3.102 369 V HA 0.903 5.023 4.120 -0.000 0.000 0.312 369 V C -0.006 176.140 176.094 0.087 0.000 1.135 369 V CA -1.056 61.346 62.300 0.170 0.000 1.022 369 V CB 1.142 33.135 31.823 0.283 0.000 1.056 369 V HN 0.604 nan 8.190 nan 0.000 0.436 370 A N 0.751 123.605 122.820 0.057 0.000 2.462 370 A HA 0.406 4.726 4.320 -0.000 0.000 0.243 370 A C 0.553 178.166 177.584 0.047 0.000 1.076 370 A CA 0.206 52.256 52.037 0.023 0.000 0.773 370 A CB -0.339 18.667 19.000 0.011 0.000 1.010 370 A HN 1.368 nan 8.150 nan 0.000 0.493 371 Y N 2.704 122.938 120.300 -0.109 0.000 2.114 371 Y HA -0.259 4.290 4.550 -0.000 0.000 0.282 371 Y C 2.387 178.224 175.900 -0.106 0.000 1.165 371 Y CA 2.467 60.501 58.100 -0.111 0.000 1.148 371 Y CB -0.722 37.667 38.460 -0.118 0.000 0.972 371 Y HN 0.694 nan 8.280 nan 0.000 0.504 372 A N 0.289 122.988 122.820 -0.202 0.000 1.933 372 A HA -0.109 4.211 4.320 -0.000 0.000 0.218 372 A C 2.489 179.901 177.584 -0.287 0.000 1.175 372 A CA 2.087 53.927 52.037 -0.328 0.000 0.628 372 A CB -1.499 17.395 19.000 -0.176 0.000 0.814 372 A HN 0.620 nan 8.150 nan 0.000 0.444 373 A N -1.026 121.706 122.820 -0.148 0.000 1.902 373 A HA -0.059 4.261 4.320 -0.000 0.000 0.217 373 A C 2.054 179.546 177.584 -0.154 0.000 1.181 373 A CA 1.657 53.637 52.037 -0.096 0.000 0.623 373 A CB -0.743 18.262 19.000 0.007 0.000 0.818 373 A HN 0.767 nan 8.150 nan 0.000 0.443 374 F N 0.645 120.390 119.950 -0.343 0.000 2.102 374 F HA -0.134 4.393 4.527 -0.000 0.000 0.298 374 F C 1.860 177.276 175.800 -0.639 0.000 1.105 374 F CA 1.713 59.345 58.000 -0.614 0.000 1.239 374 F CB -0.322 38.233 39.000 -0.742 0.000 0.991 374 F HN 0.135 nan 8.300 nan 0.000 0.474 375 L N -0.148 120.605 121.223 -0.783 0.000 2.083 375 L HA -0.194 4.146 4.340 -0.000 0.000 0.209 375 L C 1.360 177.789 176.870 -0.734 0.000 1.083 375 L CA 1.732 55.996 54.840 -0.961 0.000 0.752 375 L CB -0.621 40.749 42.059 -1.148 0.000 0.899 375 L HN 0.114 nan 8.230 nan 0.000 0.433 376 D N -0.518 119.567 120.400 -0.525 0.000 2.358 376 D HA -0.022 4.618 4.640 -0.000 0.000 0.224 376 D C 1.938 178.111 176.300 -0.212 0.000 1.123 376 D CA -0.086 53.714 54.000 -0.334 0.000 0.833 376 D CB 0.257 40.901 40.800 -0.259 0.000 0.946 376 D HN 0.191 nan 8.370 nan 0.000 0.505 377 R N -0.552 119.767 120.500 -0.302 0.000 2.117 377 R HA -0.126 4.214 4.340 -0.000 0.000 0.243 377 R C 1.345 177.642 176.300 -0.005 0.000 1.143 377 R CA 1.337 57.363 56.100 -0.123 0.000 0.968 377 R CB -0.867 29.339 30.300 -0.158 0.000 0.863 377 R HN 0.087 nan 8.270 nan 0.000 0.444 378 V N 1.212 121.126 119.914 0.001 0.000 2.667 378 V HA -0.179 3.941 4.120 -0.000 0.000 0.252 378 V C 2.349 178.526 176.094 0.138 0.000 1.065 378 V CA 1.935 64.320 62.300 0.142 0.000 1.083 378 V CB -0.866 31.131 31.823 0.291 0.000 0.692 378 V HN 0.471 nan 8.190 nan 0.000 0.468 379 H N 1.519 120.572 119.070 -0.028 0.000 2.352 379 H HA -0.129 4.426 4.556 -0.000 0.000 0.299 379 H C 2.229 177.498 175.328 -0.099 0.000 1.097 379 H CA 1.964 57.958 56.048 -0.092 0.000 1.311 379 H CB -0.583 29.089 29.762 -0.149 0.000 1.377 379 H HN 0.336 nan 8.280 nan 0.000 0.504 380 G N -0.052 108.663 108.800 -0.141 0.000 2.442 380 G HA2 -0.269 3.691 3.960 -0.000 0.000 0.219 380 G HA3 -0.269 3.691 3.960 -0.000 0.000 0.219 380 G C 1.583 176.395 174.900 -0.146 0.000 1.141 380 G CA 0.877 45.877 45.100 -0.166 0.000 0.763 380 G HN 0.562 nan 8.290 nan 0.000 0.554 381 E N 0.106 120.273 120.200 -0.055 0.000 2.051 381 E HA -0.131 4.218 4.350 -0.000 0.000 0.192 381 E C 2.294 178.845 176.600 -0.082 0.000 0.991 381 E CA 1.162 57.573 56.400 0.019 0.000 0.799 381 E CB -0.148 29.643 29.700 0.151 0.000 0.748 381 E HN 0.701 nan 8.360 nan 0.000 0.449 382 E N 0.908 120.893 120.200 -0.359 0.000 2.031 382 E HA -0.194 4.156 4.350 -0.000 0.000 0.193 382 E C 2.154 178.410 176.600 -0.574 0.000 0.994 382 E CA 1.423 57.258 56.400 -0.942 0.000 0.800 382 E CB 0.025 28.901 29.700 -1.373 0.000 0.752 382 E HN 0.033 nan 8.360 nan 0.000 0.447 383 V N 1.383 120.990 119.914 -0.513 0.000 2.324 383 V HA -0.317 3.802 4.120 -0.000 0.000 0.250 383 V C 2.497 178.483 176.094 -0.180 0.000 1.060 383 V CA 2.015 64.099 62.300 -0.360 0.000 1.042 383 V CB -0.893 30.691 31.823 -0.397 0.000 0.650 383 V HN 0.522 nan 8.190 nan 0.000 0.450 384 A N -0.392 122.350 122.820 -0.129 0.000 1.855 384 A HA -0.115 4.204 4.320 -0.000 0.000 0.215 384 A C 2.195 179.795 177.584 0.027 0.000 1.191 384 A CA 1.703 53.719 52.037 -0.035 0.000 0.613 384 A CB -0.580 18.415 19.000 -0.008 0.000 0.829 384 A HN 0.472 nan 8.150 nan 0.000 0.442 385 L N -0.252 121.020 121.223 0.081 0.000 2.079 385 L HA -0.233 4.106 4.340 -0.000 0.000 0.210 385 L C 2.495 179.484 176.870 0.198 0.000 1.081 385 L CA 1.644 56.604 54.840 0.200 0.000 0.752 385 L CB -0.603 41.702 42.059 0.410 0.000 0.896 385 L HN 0.487 nan 8.230 nan 0.000 0.433 386 N N 0.397 119.180 118.700 0.137 0.000 2.149 386 N HA -0.199 4.541 4.740 -0.000 0.000 0.188 386 N C 1.705 177.266 175.510 0.084 0.000 1.019 386 N CA 1.363 54.493 53.050 0.134 0.000 0.857 386 N CB 0.021 38.517 38.487 0.014 0.000 0.997 386 N HN 0.174 nan 8.380 nan 0.000 0.426 387 K N -0.501 119.926 120.400 0.044 0.000 2.283 387 K HA 0.055 4.375 4.320 -0.000 0.000 0.202 387 K C 1.000 177.629 176.600 0.048 0.000 1.048 387 K CA 0.615 56.922 56.287 0.033 0.000 0.948 387 K CB 0.096 32.603 32.500 0.012 0.000 0.742 387 K HN 0.264 nan 8.250 nan 0.000 0.458 388 L N -0.598 120.666 121.223 0.069 0.000 2.607 388 L HA 0.195 4.535 4.340 -0.000 0.000 0.228 388 L C 0.820 177.738 176.870 0.080 0.000 1.123 388 L CA -0.020 54.862 54.840 0.070 0.000 0.890 388 L CB 0.401 42.507 42.059 0.078 0.000 1.103 388 L HN 0.273 nan 8.230 nan 0.000 0.468 389 G N 0.965 109.822 108.800 0.095 0.000 2.198 389 G HA2 -0.288 3.672 3.960 -0.000 0.000 0.260 389 G HA3 -0.288 3.672 3.960 -0.000 0.000 0.260 389 G C 0.487 175.453 174.900 0.109 0.000 1.025 389 G CA 0.402 45.559 45.100 0.096 0.000 0.769 389 G HN 0.393 nan 8.290 nan 0.000 0.507 390 L N -1.707 119.613 121.223 0.163 0.000 2.808 390 L HA 0.322 4.662 4.340 -0.000 0.000 0.246 390 L C 2.063 179.093 176.870 0.266 0.000 1.153 390 L CA -0.571 54.370 54.840 0.168 0.000 0.956 390 L CB -0.021 42.135 42.059 0.163 0.000 1.270 390 L HN 0.485 nan 8.230 nan 0.000 0.528 391 W N 1.467 122.840 121.300 0.121 0.000 2.601 391 W HA 0.064 4.723 4.660 -0.000 0.000 0.292 391 W C 0.819 177.442 176.519 0.174 0.000 1.153 391 W CA 0.171 57.637 57.345 0.201 0.000 1.448 391 W CB 0.371 29.942 29.460 0.185 0.000 1.113 391 W HN -0.075 nan 8.180 nan 0.000 0.548 392 R N 1.871 122.513 120.500 0.237 0.000 4.154 392 R HA 0.084 4.424 4.340 -0.000 0.000 0.186 392 R C -0.112 176.107 176.300 -0.134 0.000 1.750 392 R CA -0.052 56.078 56.100 0.049 0.000 1.431 392 R CB -0.414 29.961 30.300 0.124 0.000 1.383 392 R HN -0.092 nan 8.270 nan 0.000 0.788 393 V N -2.191 117.494 119.914 -0.382 0.000 3.141 393 V HA 0.657 4.776 4.120 -0.000 0.000 0.312 393 V C -2.762 172.808 176.094 -0.873 0.000 1.157 393 V CA -3.477 58.545 62.300 -0.463 0.000 1.041 393 V CB 2.315 33.948 31.823 -0.316 0.000 1.071 393 V HN 0.086 nan 8.190 nan 0.000 0.441 394 P HA 0.296 nan 4.420 nan 0.000 0.268 394 P C -1.129 175.749 177.300 -0.703 0.000 1.204 394 P CA 0.559 63.332 63.100 -0.544 0.000 0.768 394 P CB -0.150 31.386 31.700 -0.273 0.000 0.842 395 H N 3.564 122.381 119.070 -0.421 0.000 2.530 395 H HA 0.224 4.780 4.556 -0.000 0.000 0.246 395 H C -1.896 173.294 175.328 -0.229 0.000 1.346 395 H CA -1.892 53.885 56.048 -0.451 0.000 1.424 395 H CB 0.482 29.529 29.762 -1.191 0.000 1.445 395 H HN 0.308 nan 8.280 nan 0.000 0.511 396 P HA -0.051 nan 4.420 nan 0.000 0.226 396 P C -0.607 176.971 177.300 0.463 0.000 1.783 396 P CA -0.308 62.911 63.100 0.199 0.000 0.980 396 P CB -0.222 31.557 31.700 0.132 0.000 1.967 397 W N 1.567 122.961 121.300 0.157 0.000 2.190 397 W HA 0.236 4.896 4.660 -0.000 0.000 0.330 397 W C 0.385 176.966 176.519 0.103 0.000 1.299 397 W CA -0.325 57.094 57.345 0.125 0.000 1.215 397 W CB 0.011 29.519 29.460 0.079 0.000 1.147 397 W HN 0.081 nan 8.180 nan 0.000 0.563 398 L N 5.691 127.079 121.223 0.276 0.000 2.319 398 L HA 0.428 4.768 4.340 -0.000 0.000 0.281 398 L C -0.668 176.244 176.870 0.071 0.000 1.005 398 L CA -0.461 54.482 54.840 0.172 0.000 0.828 398 L CB 0.255 42.444 42.059 0.218 0.000 1.227 398 L HN 0.296 nan 8.230 nan 0.000 0.415 399 N N 7.520 126.250 118.700 0.050 0.000 2.354 399 N HA 0.707 5.447 4.740 -0.000 0.000 0.287 399 N C -0.975 174.492 175.510 -0.071 0.000 1.016 399 N CA -0.422 52.627 53.050 -0.001 0.000 0.871 399 N CB 2.285 40.813 38.487 0.068 0.000 1.299 399 N HN 0.710 nan 8.380 nan 0.000 0.482 400 M N -0.807 118.693 119.600 -0.166 0.000 2.721 400 M HA 0.571 5.051 4.480 -0.000 0.000 0.271 400 M C -1.964 174.156 176.300 -0.299 0.000 1.259 400 M CA -0.755 54.416 55.300 -0.215 0.000 0.835 400 M CB 1.883 34.434 32.600 -0.082 0.000 1.689 400 M HN 0.022 nan 8.290 nan 0.000 0.470 401 F N 1.361 121.334 119.950 0.039 0.000 2.411 401 F HA 0.664 5.191 4.527 -0.000 0.000 0.352 401 F C -0.421 175.393 175.800 0.023 0.000 1.123 401 F CA -0.938 57.065 58.000 0.004 0.000 1.044 401 F CB 1.923 40.798 39.000 -0.208 0.000 1.135 401 F HN 0.301 nan 8.300 nan 0.000 0.461 402 V N 5.840 125.900 119.914 0.243 0.000 2.384 402 V HA 0.393 4.513 4.120 -0.000 0.000 0.287 402 V C -2.101 174.139 176.094 0.243 0.000 1.020 402 V CA -2.238 60.151 62.300 0.150 0.000 0.850 402 V CB 1.618 33.387 31.823 -0.090 0.000 0.987 402 V HN 0.476 nan 8.190 nan 0.000 0.436 403 P HA 0.021 nan 4.420 nan 0.000 0.264 403 P C 0.713 178.148 177.300 0.226 0.000 1.183 403 P CA 0.074 63.292 63.100 0.197 0.000 0.763 403 P CB 0.851 32.615 31.700 0.107 0.000 0.807 404 R N 3.398 124.064 120.500 0.276 0.000 2.119 404 R HA -0.194 4.146 4.340 -0.000 0.000 0.246 404 R C 2.001 178.406 176.300 0.175 0.000 1.146 404 R CA 2.600 58.882 56.100 0.303 0.000 0.962 404 R CB -0.767 29.685 30.300 0.253 0.000 0.863 404 R HN 0.584 nan 8.270 nan 0.000 0.442 405 S N -0.286 115.492 115.700 0.130 0.000 2.465 405 S HA -0.058 4.412 4.470 -0.000 0.000 0.241 405 S C 1.382 176.034 174.600 0.086 0.000 1.000 405 S CA 0.715 58.971 58.200 0.093 0.000 0.964 405 S CB 0.015 63.256 63.200 0.069 0.000 0.763 405 S HN 0.347 nan 8.310 nan 0.000 0.512 406 R N -0.447 120.110 120.500 0.095 0.000 2.508 406 R HA 0.433 4.773 4.340 -0.000 0.000 0.300 406 R C 1.300 177.663 176.300 0.105 0.000 0.970 406 R CA -0.118 56.038 56.100 0.094 0.000 1.102 406 R CB -0.860 29.496 30.300 0.094 0.000 1.246 406 R HN 0.445 nan 8.270 nan 0.000 0.539 407 I N 1.521 122.129 120.570 0.064 0.000 2.315 407 I HA -0.136 4.034 4.170 -0.000 0.000 0.248 407 I C 1.974 178.096 176.117 0.009 0.000 1.117 407 I CA 1.268 62.560 61.300 -0.013 0.000 1.404 407 I CB -0.050 37.744 38.000 -0.343 0.000 1.071 407 I HN 0.147 nan 8.210 nan 0.000 0.419 408 A N -0.219 122.648 122.820 0.078 0.000 1.930 408 A HA -0.194 4.125 4.320 -0.000 0.000 0.217 408 A C 2.007 179.546 177.584 -0.074 0.000 1.175 408 A CA 1.941 53.967 52.037 -0.019 0.000 0.627 408 A CB -0.782 18.301 19.000 0.138 0.000 0.815 408 A HN 0.451 nan 8.150 nan 0.000 0.443 409 D N -1.025 119.398 120.400 0.039 0.000 2.117 409 D HA -0.132 4.508 4.640 -0.000 0.000 0.197 409 D C 1.626 178.013 176.300 0.144 0.000 0.987 409 D CA 1.147 55.205 54.000 0.096 0.000 0.829 409 D CB -0.468 40.404 40.800 0.120 0.000 0.961 409 D HN 0.484 nan 8.370 nan 0.000 0.460 410 F N 1.621 121.567 119.950 -0.008 0.000 2.095 410 F HA -0.247 4.280 4.527 -0.000 0.000 0.298 410 F C 2.059 177.607 175.800 -0.421 0.000 1.104 410 F CA 1.890 59.841 58.000 -0.083 0.000 1.232 410 F CB -0.075 38.847 39.000 -0.130 0.000 0.987 410 F HN -0.137 nan 8.300 nan 0.000 0.475 411 D N -0.337 119.921 120.400 -0.236 0.000 2.104 411 D HA -0.220 4.420 4.640 -0.000 0.000 0.194 411 D C 2.355 178.471 176.300 -0.307 0.000 0.994 411 D CA 1.664 55.439 54.000 -0.374 0.000 0.830 411 D CB -0.168 40.021 40.800 -1.018 0.000 0.959 411 D HN 0.210 nan 8.370 nan 0.000 0.452 412 R N -0.773 119.570 120.500 -0.263 0.000 2.073 412 R HA -0.022 4.317 4.340 -0.000 0.000 0.234 412 R C 2.469 178.570 176.300 -0.332 0.000 1.134 412 R CA 1.507 57.493 56.100 -0.191 0.000 0.952 412 R CB -0.536 29.709 30.300 -0.091 0.000 0.850 412 R HN 0.318 nan 8.270 nan 0.000 0.433 413 G N -0.947 107.504 108.800 -0.581 0.000 2.430 413 G HA2 -0.108 3.852 3.960 -0.000 0.000 0.216 413 G HA3 -0.108 3.852 3.960 -0.000 0.000 0.216 413 G C 1.213 175.429 174.900 -1.139 0.000 1.146 413 G CA 0.574 44.978 45.100 -1.161 0.000 0.793 413 G HN 0.161 nan 8.290 nan 0.000 0.537 414 V N -0.299 118.959 119.914 -1.093 0.000 2.599 414 V HA 0.207 4.327 4.120 -0.000 0.000 0.237 414 V C 2.231 178.050 176.094 -0.458 0.000 1.081 414 V CA 0.545 62.285 62.300 -0.933 0.000 1.107 414 V CB -0.643 30.306 31.823 -1.456 0.000 0.808 414 V HN 0.184 nan 8.190 nan 0.000 0.486 415 F N 1.230 121.040 119.950 -0.233 0.000 2.163 415 F HA 0.037 4.564 4.527 -0.000 0.000 0.297 415 F C 2.203 177.942 175.800 -0.102 0.000 1.094 415 F CA 1.073 59.017 58.000 -0.094 0.000 1.290 415 F CB -0.641 38.368 39.000 0.016 0.000 1.017 415 F HN 0.096 nan 8.300 nan 0.000 0.483 416 K N -0.718 119.702 120.400 0.033 0.000 2.379 416 K HA 0.193 4.513 4.320 -0.000 0.000 0.194 416 K C 1.845 178.396 176.600 -0.081 0.000 1.031 416 K CA 0.552 56.836 56.287 -0.006 0.000 1.037 416 K CB 0.057 32.557 32.500 0.001 0.000 0.824 416 K HN 0.302 nan 8.250 nan 0.000 0.516 417 G N 0.977 109.673 108.800 -0.174 0.000 2.601 417 G HA2 0.028 3.988 3.960 -0.000 0.000 0.214 417 G HA3 0.028 3.988 3.960 -0.000 0.000 0.214 417 G C 1.177 175.964 174.900 -0.188 0.000 2.067 417 G CA -0.327 44.648 45.100 -0.208 0.000 0.774 417 G HN -0.036 nan 8.290 nan 0.000 0.729 418 I N 1.039 121.448 120.570 -0.268 0.000 2.194 418 I HA -0.167 4.002 4.170 -0.000 0.000 0.246 418 I C 2.543 178.583 176.117 -0.127 0.000 1.093 418 I CA 1.067 62.244 61.300 -0.206 0.000 1.355 418 I CB -0.126 37.716 38.000 -0.262 0.000 1.046 418 I HN 0.099 nan 8.210 nan 0.000 0.413 419 L N -0.144 121.026 121.223 -0.087 0.000 2.478 419 L HA -0.047 4.293 4.340 -0.000 0.000 0.223 419 L C 0.934 177.806 176.870 0.002 0.000 1.140 419 L CA 0.121 54.960 54.840 -0.000 0.000 0.842 419 L CB -0.423 41.712 42.059 0.126 0.000 0.953 419 L HN 0.290 nan 8.230 nan 0.000 0.452 420 Q N 0.525 120.311 119.800 -0.023 0.000 2.364 420 Q HA 0.146 4.485 4.340 -0.000 0.000 0.267 420 Q C 1.095 177.082 176.000 -0.022 0.000 0.999 420 Q CA 0.991 56.784 55.803 -0.017 0.000 0.886 420 Q CB 0.814 29.535 28.738 -0.027 0.000 1.243 420 Q HN 0.393 nan 8.270 nan 0.000 0.415 421 G N 1.762 110.555 108.800 -0.012 0.000 2.143 421 G HA2 -0.260 3.700 3.960 -0.000 0.000 0.248 421 G HA3 -0.260 3.700 3.960 -0.000 0.000 0.248 421 G C 0.199 175.090 174.900 -0.015 0.000 0.991 421 G CA 0.594 45.685 45.100 -0.015 0.000 0.689 421 G HN 0.790 nan 8.290 nan 0.000 0.522 422 T N -2.423 112.127 114.554 -0.007 0.000 2.924 422 T HA 0.611 4.960 4.350 -0.000 0.000 0.291 422 T C -1.000 173.711 174.700 0.018 0.000 1.045 422 T CA -0.650 61.446 62.100 -0.007 0.000 1.015 422 T CB 2.535 71.386 68.868 -0.028 0.000 1.103 422 T HN -0.076 nan 8.240 nan 0.000 0.496 423 D N 1.805 122.216 120.400 0.019 0.000 2.365 423 D HA 0.387 5.027 4.640 -0.000 0.000 0.237 423 D C -0.272 176.069 176.300 0.070 0.000 1.190 423 D CA -0.102 53.923 54.000 0.041 0.000 0.867 423 D CB 0.383 41.202 40.800 0.032 0.000 1.050 423 D HN 0.501 nan 8.370 nan 0.000 0.491 424 I N 2.145 122.776 120.570 0.102 0.000 2.342 424 I HA 0.172 4.341 4.170 -0.000 0.000 0.291 424 I C -0.124 176.082 176.117 0.149 0.000 1.010 424 I CA -0.561 60.837 61.300 0.164 0.000 1.308 424 I CB 1.417 39.528 38.000 0.185 0.000 1.400 424 I HN -0.057 nan 8.210 nan 0.000 0.488 425 V N 5.829 125.849 119.914 0.177 0.000 2.444 425 V HA 0.897 5.017 4.120 -0.000 0.000 0.294 425 V C 0.174 176.368 176.094 0.165 0.000 1.022 425 V CA -0.359 62.034 62.300 0.155 0.000 0.850 425 V CB 1.224 33.130 31.823 0.140 0.000 0.992 425 V HN 1.032 nan 8.190 nan 0.000 0.426 426 G N 6.427 115.296 108.800 0.114 0.000 2.592 426 G HA2 0.041 4.001 3.960 -0.000 0.000 0.685 426 G HA3 0.041 4.001 3.960 -0.000 0.000 0.685 426 G C -3.240 171.619 174.900 -0.069 0.000 1.278 426 G CA -0.951 44.170 45.100 0.036 0.000 0.822 426 G HN 0.586 nan 8.290 nan 0.000 0.652 427 P HA 0.418 nan 4.420 nan 0.000 0.271 427 P C -0.009 177.111 177.300 -0.300 0.000 1.216 427 P CA -0.212 62.782 63.100 -0.175 0.000 0.776 427 P CB 0.806 32.436 31.700 -0.116 0.000 0.881 428 L N 4.074 125.099 121.223 -0.329 0.000 2.283 428 L HA 0.456 4.796 4.340 -0.000 0.000 0.281 428 L C 0.410 177.136 176.870 -0.241 0.000 1.033 428 L CA -0.528 54.127 54.840 -0.309 0.000 0.848 428 L CB 0.314 42.182 42.059 -0.319 0.000 1.226 428 L HN 0.227 nan 8.230 nan 0.000 0.429 429 I N 3.654 124.151 120.570 -0.122 0.000 2.353 429 I HA 0.477 4.647 4.170 -0.000 0.000 0.293 429 I C -0.377 175.806 176.117 0.110 0.000 0.992 429 I CA -0.716 60.599 61.300 0.025 0.000 1.268 429 I CB 2.009 40.058 38.000 0.083 0.000 1.387 429 I HN 0.209 nan 8.210 nan 0.000 0.478 430 V N 7.251 127.312 119.914 0.245 0.000 2.668 430 V HA 0.517 4.637 4.120 -0.000 0.000 0.304 430 V C -1.303 175.053 176.094 0.438 0.000 1.071 430 V CA -0.672 61.816 62.300 0.314 0.000 0.894 430 V CB 1.687 33.782 31.823 0.454 0.000 1.008 430 V HN 0.699 nan 8.190 nan 0.000 0.425 431 Y N 3.919 124.367 120.300 0.247 0.000 2.565 431 Y HA 0.802 5.352 4.550 -0.000 0.000 0.330 431 Y C -3.286 172.445 175.900 -0.282 0.000 1.150 431 Y CA -2.587 55.513 58.100 0.000 0.000 1.055 431 Y CB 1.766 40.169 38.460 -0.096 0.000 1.337 431 Y HN 0.421 nan 8.280 nan 0.000 0.457 432 P HA 0.432 nan 4.420 nan 0.000 0.277 432 P C -1.047 175.993 177.300 -0.433 0.000 1.240 432 P CA -0.116 62.422 63.100 -0.937 0.000 0.798 432 P CB 2.210 33.319 31.700 -0.985 0.000 0.979 433 L N 2.167 123.033 121.223 -0.595 0.000 2.354 433 L HA 0.457 4.797 4.340 -0.000 0.000 0.264 433 L C 0.254 176.771 176.870 -0.589 0.000 1.008 433 L CA -0.848 53.692 54.840 -0.499 0.000 0.819 433 L CB 1.995 43.635 42.059 -0.699 0.000 1.339 433 L HN 0.235 nan 8.230 nan 0.000 0.420 434 N N 1.695 120.259 118.700 -0.226 0.000 2.457 434 N HA 0.143 4.883 4.740 -0.000 0.000 0.250 434 N C 0.397 175.934 175.510 0.044 0.000 0.982 434 N CA -0.283 52.721 53.050 -0.077 0.000 0.941 434 N CB 2.249 40.821 38.487 0.141 0.000 1.120 434 N HN 0.569 nan 8.380 nan 0.000 0.505 435 K N 1.356 121.765 120.400 0.016 0.000 2.218 435 K HA -0.166 4.154 4.320 -0.000 0.000 0.205 435 K C 1.600 178.364 176.600 0.273 0.000 1.046 435 K CA 1.407 57.820 56.287 0.210 0.000 0.933 435 K CB 0.156 32.778 32.500 0.203 0.000 0.728 435 K HN 0.554 nan 8.250 nan 0.000 0.454 436 S N 0.032 115.854 115.700 0.202 0.000 2.419 436 S HA -0.128 4.342 4.470 -0.000 0.000 0.235 436 S C 1.641 176.362 174.600 0.202 0.000 1.019 436 S CA 0.927 59.235 58.200 0.181 0.000 0.982 436 S CB -0.093 63.198 63.200 0.152 0.000 0.789 436 S HN 0.216 nan 8.310 nan 0.000 0.490 437 M N -0.268 119.477 119.600 0.241 0.000 2.495 437 M HA 0.354 4.834 4.480 -0.000 0.000 0.237 437 M C -0.776 175.566 176.300 0.070 0.000 1.131 437 M CA -0.368 55.006 55.300 0.123 0.000 1.032 437 M CB -1.057 31.544 32.600 0.002 0.000 1.513 437 M HN 0.379 nan 8.290 nan 0.000 0.488 438 W N 0.667 121.990 121.300 0.038 0.000 2.496 438 W HA 0.326 4.986 4.660 -0.000 0.000 0.327 438 W C 0.184 176.737 176.519 0.057 0.000 1.086 438 W CA -0.829 56.544 57.345 0.048 0.000 1.222 438 W CB 0.542 30.042 29.460 0.068 0.000 1.304 438 W HN -0.069 nan 8.180 nan 0.000 0.547 439 D N 2.077 122.626 120.400 0.247 0.000 2.396 439 D HA 0.011 4.651 4.640 -0.000 0.000 0.225 439 D C 0.554 176.979 176.300 0.208 0.000 1.121 439 D CA 0.020 54.131 54.000 0.185 0.000 0.853 439 D CB 0.812 41.690 40.800 0.131 0.000 1.043 439 D HN 0.413 nan 8.370 nan 0.000 0.500 440 D N 1.997 122.506 120.400 0.182 0.000 2.350 440 D HA -0.027 4.613 4.640 -0.000 0.000 0.216 440 D C 1.944 178.335 176.300 0.150 0.000 0.968 440 D CA 0.880 54.977 54.000 0.160 0.000 0.894 440 D CB 0.141 41.010 40.800 0.115 0.000 0.909 440 D HN 0.601 nan 8.370 nan 0.000 0.520 441 G N -0.585 108.297 108.800 0.136 0.000 2.534 441 G HA2 -0.028 3.931 3.960 -0.000 0.000 0.217 441 G HA3 -0.028 3.931 3.960 -0.000 0.000 0.217 441 G C 0.756 175.733 174.900 0.129 0.000 1.128 441 G CA -0.038 45.134 45.100 0.119 0.000 0.784 441 G HN 0.216 nan 8.290 nan 0.000 0.542 442 M N 0.146 119.838 119.600 0.153 0.000 2.227 442 M HA 0.220 4.700 4.480 -0.000 0.000 0.316 442 M C 1.659 178.112 176.300 0.254 0.000 1.144 442 M CA -0.389 55.005 55.300 0.157 0.000 1.121 442 M CB 1.423 34.103 32.600 0.132 0.000 1.440 442 M HN -0.073 nan 8.290 nan 0.000 0.473 443 S N 0.876 116.767 115.700 0.318 0.000 2.402 443 S HA 0.011 4.481 4.470 -0.000 0.000 0.229 443 S C 0.844 175.804 174.600 0.601 0.000 1.021 443 S CA 0.582 59.099 58.200 0.529 0.000 0.974 443 S CB -0.333 63.310 63.200 0.738 0.000 0.800 443 S HN 0.785 nan 8.310 nan 0.000 0.484 444 A N 1.421 124.536 122.820 0.491 0.000 2.565 444 A HA 0.493 4.813 4.320 -0.000 0.000 0.237 444 A C 0.319 178.118 177.584 0.358 0.000 1.053 444 A CA 0.192 52.529 52.037 0.500 0.000 0.755 444 A CB -0.072 19.270 19.000 0.569 0.000 0.980 444 A HN 0.450 nan 8.150 nan 0.000 0.506 445 A N 2.910 125.859 122.820 0.216 0.000 2.304 445 A HA 0.749 5.069 4.320 -0.000 0.000 0.323 445 A C 0.401 177.842 177.584 -0.238 0.000 1.195 445 A CA 0.192 52.182 52.037 -0.079 0.000 0.826 445 A CB 0.556 19.275 19.000 -0.468 0.000 1.184 445 A HN 1.654 nan 8.150 nan 0.000 0.496 446 T N 0.380 114.679 114.554 -0.426 0.000 2.901 446 T HA 0.781 5.130 4.350 -0.000 0.000 0.293 446 T C -3.046 171.230 174.700 -0.706 0.000 1.084 446 T CA -2.053 59.519 62.100 -0.879 0.000 1.008 446 T CB 1.370 69.332 68.868 -1.509 0.000 1.170 446 T HN 0.307 nan 8.240 nan 0.000 0.509 447 P HA 0.124 nan 4.420 nan 0.000 0.270 447 P C 0.965 178.069 177.300 -0.327 0.000 1.227 447 P CA -0.305 62.521 63.100 -0.457 0.000 0.788 447 P CB 0.367 31.854 31.700 -0.356 0.000 0.926 448 S N -1.558 114.048 115.700 -0.156 0.000 2.496 448 S HA 0.003 4.472 4.470 -0.000 0.000 0.224 448 S C 0.490 175.081 174.600 -0.015 0.000 0.996 448 S CA 0.212 58.364 58.200 -0.079 0.000 0.927 448 S CB -0.532 62.637 63.200 -0.052 0.000 0.774 448 S HN 0.426 nan 8.310 nan 0.000 0.524 449 E N 1.510 121.721 120.200 0.020 0.000 2.366 449 E HA 0.131 4.481 4.350 -0.000 0.000 0.266 449 E C 0.032 176.702 176.600 0.118 0.000 1.051 449 E CA -0.332 56.111 56.400 0.072 0.000 0.884 449 E CB 0.496 30.251 29.700 0.091 0.000 1.006 449 E HN 0.141 nan 8.360 nan 0.000 0.417 450 D N 0.534 120.984 120.400 0.083 0.000 2.190 450 D HA -0.092 4.548 4.640 -0.000 0.000 0.200 450 D C 0.141 176.467 176.300 0.043 0.000 0.992 450 D CA 1.068 55.111 54.000 0.072 0.000 0.854 450 D CB 0.200 41.029 40.800 0.049 0.000 0.936 450 D HN 0.025 nan 8.370 nan 0.000 0.462 451 V N 0.976 120.912 119.914 0.036 0.000 2.531 451 V HA 0.424 4.544 4.120 -0.000 0.000 0.301 451 V C -0.504 175.605 176.094 0.025 0.000 1.034 451 V CA -0.935 61.312 62.300 -0.088 0.000 0.865 451 V CB 1.590 33.367 31.823 -0.078 0.000 0.995 451 V HN 0.000 nan 8.190 nan 0.000 0.424 452 F N 2.641 122.516 119.950 -0.125 0.000 2.629 452 F HA 0.822 5.349 4.527 -0.000 0.000 0.316 452 F C -1.506 174.235 175.800 -0.100 0.000 1.081 452 F CA -1.503 56.468 58.000 -0.048 0.000 0.954 452 F CB 1.393 40.316 39.000 -0.127 0.000 1.337 452 F HN 0.303 nan 8.300 nan 0.000 0.474 453 Y N 1.477 121.851 120.300 0.124 0.000 2.341 453 Y HA 0.648 5.198 4.550 -0.000 0.000 0.337 453 Y C 0.342 176.294 175.900 0.087 0.000 1.014 453 Y CA -1.061 57.040 58.100 0.001 0.000 1.111 453 Y CB 1.794 40.253 38.460 -0.002 0.000 1.194 453 Y HN 0.969 nan 8.280 nan 0.000 0.462 454 A N 3.505 126.313 122.820 -0.020 0.000 2.404 454 A HA 0.530 4.850 4.320 -0.000 0.000 0.273 454 A C -0.807 176.689 177.584 -0.147 0.000 1.144 454 A CA -0.340 51.658 52.037 -0.065 0.000 0.806 454 A CB -0.216 18.489 19.000 -0.492 0.000 1.080 454 A HN 0.533 nan 8.150 nan 0.000 0.509 455 V N 3.207 123.061 119.914 -0.100 0.000 2.376 455 V HA 0.404 4.524 4.120 -0.000 0.000 0.287 455 V C 0.018 176.064 176.094 -0.081 0.000 1.015 455 V CA -0.248 61.997 62.300 -0.092 0.000 0.834 455 V CB 1.508 33.168 31.823 -0.271 0.000 1.001 455 V HN 0.826 nan 8.190 nan 0.000 0.428 456 S N 6.298 121.961 115.700 -0.062 0.000 2.667 456 S HA 0.546 5.016 4.470 -0.000 0.000 0.304 456 S C -0.340 174.120 174.600 -0.234 0.000 1.135 456 S CA -0.465 57.663 58.200 -0.121 0.000 1.125 456 S CB 0.644 63.781 63.200 -0.106 0.000 0.996 456 S HN 0.558 nan 8.310 nan 0.000 0.474 457 L N 4.297 125.352 121.223 -0.280 0.000 2.328 457 L HA 0.376 4.716 4.340 -0.000 0.000 0.280 457 L C -0.113 176.227 176.870 -0.882 0.000 1.111 457 L CA -0.255 54.216 54.840 -0.614 0.000 0.909 457 L CB -0.057 41.670 42.059 -0.553 0.000 1.277 457 L HN 0.483 nan 8.230 nan 0.000 0.433 458 L N 3.823 124.496 121.223 -0.917 0.000 2.583 458 L HA 0.237 4.576 4.340 -0.000 0.000 0.239 458 L C -0.182 176.385 176.870 -0.505 0.000 1.347 458 L CA -0.335 53.762 54.840 -1.238 0.000 1.246 458 L CB -0.799 40.468 42.059 -1.320 0.000 1.496 458 L HN 0.390 nan 8.230 nan 0.000 0.413 459 F N 0.035 120.021 119.950 0.061 0.000 2.578 459 F HA 0.040 4.567 4.527 -0.000 0.000 0.381 459 F C 1.204 177.218 175.800 0.355 0.000 1.069 459 F CA 0.366 58.481 58.000 0.192 0.000 1.231 459 F CB 0.326 39.418 39.000 0.154 0.000 1.086 459 F HN 0.138 nan 8.300 nan 0.000 0.564 460 S N 2.065 118.016 115.700 0.418 0.000 2.462 460 S HA 0.408 4.878 4.470 -0.000 0.000 0.294 460 S C 0.064 174.739 174.600 0.125 0.000 1.144 460 S CA -0.718 57.642 58.200 0.266 0.000 1.088 460 S CB 1.629 64.965 63.200 0.227 0.000 1.009 460 S HN 0.667 nan 8.310 nan 0.000 0.484 466 D N 1.346 121.721 120.400 -0.042 0.000 2.144 466 D HA -0.062 4.578 4.640 -0.000 0.000 0.200 466 D C 1.989 178.253 176.300 -0.059 0.000 0.978 466 D CA 0.568 54.539 54.000 -0.048 0.000 0.833 466 D CB 0.155 40.932 40.800 -0.038 0.000 0.961 466 D HN 0.225 nan 8.370 nan 0.000 0.470 467 L N 0.942 122.131 121.223 -0.058 0.000 1.990 467 L HA -0.168 4.171 4.340 -0.000 0.000 0.213 467 L C 2.144 178.978 176.870 -0.060 0.000 1.072 467 L CA 2.358 57.161 54.840 -0.061 0.000 0.755 467 L CB -1.166 40.854 42.059 -0.064 0.000 0.889 467 L HN 0.023 nan 8.230 nan 0.000 0.432 468 A N -0.495 122.293 122.820 -0.054 0.000 1.908 468 A HA -0.278 4.042 4.320 -0.000 0.000 0.218 468 A C 2.562 180.108 177.584 -0.062 0.000 1.181 468 A CA 1.979 53.985 52.037 -0.051 0.000 0.627 468 A CB -0.727 18.247 19.000 -0.043 0.000 0.818 468 A HN 0.549 nan 8.150 nan 0.000 0.445 469 R N -0.429 120.029 120.500 -0.070 0.000 2.083 469 R HA -0.100 4.240 4.340 -0.000 0.000 0.237 469 R C 2.042 178.268 176.300 -0.124 0.000 1.137 469 R CA 1.725 57.772 56.100 -0.088 0.000 0.951 469 R CB -0.422 29.827 30.300 -0.085 0.000 0.851 469 R HN 0.529 nan 8.270 nan 0.000 0.434 470 L N 0.481 121.620 121.223 -0.139 0.000 2.046 470 L HA -0.199 4.141 4.340 -0.000 0.000 0.208 470 L C 2.684 179.463 176.870 -0.151 0.000 1.077 470 L CA 1.506 56.221 54.840 -0.209 0.000 0.747 470 L CB -0.357 41.598 42.059 -0.172 0.000 0.896 470 L HN 0.335 nan 8.230 nan 0.000 0.432 471 Q N -0.510 119.239 119.800 -0.085 0.000 2.084 471 Q HA -0.265 4.075 4.340 -0.000 0.000 0.202 471 Q C 2.102 178.069 176.000 -0.055 0.000 0.978 471 Q CA 1.691 57.464 55.803 -0.050 0.000 0.844 471 Q CB -0.057 28.659 28.738 -0.037 0.000 0.898 471 Q HN 0.336 nan 8.270 nan 0.000 0.426 472 E N 1.168 121.328 120.200 -0.067 0.000 2.072 472 E HA -0.248 4.102 4.350 -0.000 0.000 0.191 472 E C 1.893 178.446 176.600 -0.078 0.000 0.985 472 E CA 1.537 57.899 56.400 -0.063 0.000 0.801 472 E CB -0.086 29.577 29.700 -0.061 0.000 0.750 472 E HN 0.328 nan 8.360 nan 0.000 0.452 473 Q N -0.116 119.613 119.800 -0.118 0.000 2.061 473 Q HA -0.213 4.127 4.340 -0.000 0.000 0.204 473 Q C 1.700 177.635 176.000 -0.109 0.000 0.984 473 Q CA 1.918 57.631 55.803 -0.149 0.000 0.846 473 Q CB -0.165 28.418 28.738 -0.258 0.000 0.902 473 Q HN 0.264 nan 8.270 nan 0.000 0.421 474 N N 0.315 118.966 118.700 -0.082 0.000 2.120 474 N HA -0.136 4.604 4.740 -0.000 0.000 0.188 474 N C 1.681 177.185 175.510 -0.010 0.000 1.024 474 N CA 1.254 54.302 53.050 -0.004 0.000 0.852 474 N CB -0.255 38.261 38.487 0.049 0.000 1.003 474 N HN 0.260 nan 8.380 nan 0.000 0.424 475 R N 0.616 121.103 120.500 -0.021 0.000 2.091 475 R HA -0.049 4.291 4.340 -0.000 0.000 0.238 475 R C 2.297 178.588 176.300 -0.015 0.000 1.136 475 R CA 1.191 57.282 56.100 -0.014 0.000 0.959 475 R CB -0.165 30.124 30.300 -0.018 0.000 0.856 475 R HN 0.211 nan 8.270 nan 0.000 0.437 476 R N 0.865 121.346 120.500 -0.032 0.000 2.081 476 R HA -0.109 4.231 4.340 -0.000 0.000 0.235 476 R C 2.132 178.421 176.300 -0.019 0.000 1.131 476 R CA 1.461 57.542 56.100 -0.031 0.000 0.960 476 R CB -0.240 30.025 30.300 -0.059 0.000 0.856 476 R HN 0.167 nan 8.270 nan 0.000 0.436 477 I N 0.742 121.283 120.570 -0.048 0.000 2.163 477 I HA -0.324 3.846 4.170 -0.000 0.000 0.243 477 I C 2.154 178.273 176.117 0.003 0.000 1.085 477 I CA 1.280 62.542 61.300 -0.064 0.000 1.347 477 I CB -0.228 37.728 38.000 -0.073 0.000 1.044 477 I HN 0.243 nan 8.210 nan 0.000 0.408 478 L N -0.021 121.189 121.223 -0.022 0.000 2.046 478 L HA -0.204 4.136 4.340 -0.000 0.000 0.208 478 L C 2.802 179.684 176.870 0.020 0.000 1.077 478 L CA 1.378 56.191 54.840 -0.044 0.000 0.747 478 L CB -0.654 41.398 42.059 -0.013 0.000 0.896 478 L HN 0.191 nan 8.230 nan 0.000 0.432 479 R N -0.451 120.066 120.500 0.028 0.000 2.083 479 R HA -0.220 4.120 4.340 -0.000 0.000 0.237 479 R C 2.335 178.649 176.300 0.024 0.000 1.137 479 R CA 1.963 58.078 56.100 0.025 0.000 0.951 479 R CB -0.647 29.664 30.300 0.018 0.000 0.851 479 R HN 0.253 nan 8.270 nan 0.000 0.434 480 F N 1.098 120.996 119.950 -0.087 0.000 2.091 480 F HA -0.300 4.227 4.527 -0.000 0.000 0.299 480 F C 2.216 177.971 175.800 -0.076 0.000 1.103 480 F CA 1.398 59.333 58.000 -0.109 0.000 1.228 480 F CB -0.527 38.360 39.000 -0.188 0.000 0.984 480 F HN -0.031 nan 8.300 nan 0.000 0.477 481 C N 0.953 120.110 119.300 -0.239 0.000 2.446 481 C HA -0.154 4.306 4.460 -0.000 0.000 0.277 481 C C 2.503 177.437 174.990 -0.093 0.000 1.275 481 C CA 1.142 60.020 59.018 -0.232 0.000 1.727 481 C CB -1.172 26.563 27.740 -0.009 0.000 2.010 481 C HN 0.531 nan 8.230 nan 0.000 0.486 482 D N 0.701 121.110 120.400 0.014 0.000 2.097 482 D HA -0.107 4.533 4.640 -0.000 0.000 0.195 482 D C 1.925 178.175 176.300 -0.084 0.000 0.989 482 D CA 0.985 54.995 54.000 0.016 0.000 0.827 482 D CB -0.592 40.228 40.800 0.034 0.000 0.966 482 D HN 0.289 nan 8.370 nan 0.000 0.456 483 L N 0.660 121.805 121.223 -0.130 0.000 2.131 483 L HA -0.086 4.254 4.340 -0.000 0.000 0.210 483 L C 2.056 178.810 176.870 -0.195 0.000 1.092 483 L CA 1.271 56.028 54.840 -0.139 0.000 0.759 483 L CB -0.309 41.678 42.059 -0.120 0.000 0.903 483 L HN -0.040 nan 8.230 nan 0.000 0.435 484 A N -1.359 121.260 122.820 -0.337 0.000 2.208 484 A HA 0.328 4.648 4.320 -0.000 0.000 0.209 484 A C 1.687 179.157 177.584 -0.189 0.000 1.161 484 A CA 0.615 52.447 52.037 -0.341 0.000 0.782 484 A CB -0.743 17.860 19.000 -0.663 0.000 0.816 484 A HN 0.604 nan 8.150 nan 0.000 0.477 485 G N -0.440 108.276 108.800 -0.140 0.000 2.160 485 G HA2 -0.242 3.718 3.960 -0.000 0.000 0.251 485 G HA3 -0.242 3.718 3.960 -0.000 0.000 0.251 485 G C 0.091 174.959 174.900 -0.053 0.000 1.008 485 G CA 0.297 45.347 45.100 -0.084 0.000 0.724 485 G HN 0.512 nan 8.290 nan 0.000 0.514 486 I N 0.923 121.477 120.570 -0.027 0.000 2.505 486 I HA 0.069 4.239 4.170 -0.000 0.000 0.287 486 I C 0.697 176.863 176.117 0.082 0.000 1.104 486 I CA -0.104 61.234 61.300 0.063 0.000 1.387 486 I CB 0.832 38.915 38.000 0.137 0.000 1.404 486 I HN 0.041 nan 8.210 nan 0.000 0.528 487 Q N 7.535 127.334 119.800 -0.001 0.000 3.184 487 Q HA 0.082 4.422 4.340 -0.000 0.000 0.288 487 Q C -0.550 175.391 176.000 -0.099 0.000 1.412 487 Q CA -0.119 55.615 55.803 -0.116 0.000 0.991 487 Q CB -0.791 27.885 28.738 -0.103 0.000 1.688 487 Q HN 0.516 nan 8.270 nan 0.000 0.554 488 Y N -1.098 119.183 120.300 -0.030 0.000 2.299 488 Y HA 0.507 5.057 4.550 -0.000 0.000 0.335 488 Y C 0.130 176.000 175.900 -0.051 0.000 1.287 488 Y CA -0.904 57.183 58.100 -0.022 0.000 1.424 488 Y CB 0.811 39.281 38.460 0.017 0.000 1.326 488 Y HN -0.180 nan 8.280 nan 0.000 0.567 489 K N 1.629 122.102 120.400 0.121 0.000 2.324 489 K HA 0.287 4.607 4.320 -0.000 0.000 0.253 489 K C -0.589 176.157 176.600 0.243 0.000 0.932 489 K CA -0.588 55.737 56.287 0.064 0.000 0.799 489 K CB 1.804 34.269 32.500 -0.058 0.000 1.154 489 K HN 0.967 nan 8.250 nan 0.000 0.425 490 T N -0.680 114.072 114.554 0.330 0.000 2.860 490 T HA 0.308 4.658 4.350 -0.000 0.000 0.299 490 T C -0.307 174.498 174.700 0.174 0.000 1.045 490 T CA -0.298 61.925 62.100 0.206 0.000 1.071 490 T CB 0.552 69.504 68.868 0.141 0.000 0.985 490 T HN 0.433 nan 8.240 nan 0.000 0.537 491 Y N 2.238 122.443 120.300 -0.158 0.000 2.442 491 Y HA 0.490 5.040 4.550 -0.000 0.000 0.344 491 Y C 0.449 176.326 175.900 -0.040 0.000 0.976 491 Y CA -2.117 55.901 58.100 -0.137 0.000 1.040 491 Y CB 0.891 39.044 38.460 -0.512 0.000 1.228 491 Y HN 0.793 nan 8.280 nan 0.000 0.451 492 L N 2.618 123.561 121.223 -0.467 0.000 4.937 492 L HA -0.268 4.072 4.340 -0.000 0.000 0.422 492 L C 0.017 176.781 176.870 -0.176 0.000 1.059 492 L CA 0.924 55.535 54.840 -0.383 0.000 1.111 492 L CB -1.749 40.070 42.059 -0.399 0.000 2.033 492 L HN 0.708 nan 8.230 nan 0.000 0.708 493 A N 0.688 123.396 122.820 -0.186 0.000 2.325 493 A HA 0.788 5.108 4.320 -0.000 0.000 0.333 493 A C 0.257 177.637 177.584 -0.341 0.000 1.155 493 A CA -0.422 51.461 52.037 -0.257 0.000 0.814 493 A CB 1.036 19.840 19.000 -0.326 0.000 1.206 493 A HN 0.333 nan 8.150 nan 0.000 0.482 494 R N 1.194 121.528 120.500 -0.276 0.000 2.393 494 R HA 0.656 4.996 4.340 -0.000 0.000 0.310 494 R C -0.952 175.086 176.300 -0.437 0.000 0.968 494 R CA -0.364 55.667 56.100 -0.115 0.000 0.867 494 R CB 0.426 30.805 30.300 0.131 0.000 1.124 494 R HN 0.784 nan 8.270 nan 0.000 0.450 495 H N 0.118 118.841 119.070 -0.577 0.000 2.495 495 H HA 0.303 4.859 4.556 -0.000 0.000 0.350 495 H C 0.485 175.745 175.328 -0.114 0.000 1.202 495 H CA 0.015 55.660 56.048 -0.671 0.000 1.322 495 H CB 1.923 30.830 29.762 -1.425 0.000 1.544 495 H HN 0.901 nan 8.280 nan 0.000 0.565 496 T N -2.878 111.708 114.554 0.053 0.000 3.040 496 T HA 0.130 4.480 4.350 -0.000 0.000 0.266 496 T C -0.245 174.533 174.700 0.130 0.000 1.005 496 T CA -0.301 61.877 62.100 0.130 0.000 0.906 496 T CB -0.130 68.780 68.868 0.069 0.000 1.082 496 T HN 0.659 nan 8.240 nan 0.000 0.531 497 D N -0.445 120.009 120.400 0.091 0.000 2.581 497 D HA 0.375 5.015 4.640 -0.000 0.000 0.232 497 D C 0.966 177.318 176.300 0.085 0.000 1.143 497 D CA -1.183 52.865 54.000 0.080 0.000 0.881 497 D CB 1.592 42.400 40.800 0.013 0.000 1.500 497 D HN -0.125 nan 8.370 nan 0.000 0.458 498 R N 0.436 120.967 120.500 0.050 0.000 2.094 498 R HA -0.206 4.134 4.340 -0.000 0.000 0.239 498 R C 1.696 177.886 176.300 -0.183 0.000 1.137 498 R CA 2.459 58.534 56.100 -0.043 0.000 0.943 498 R CB -0.475 29.796 30.300 -0.050 0.000 0.850 498 R HN 0.624 nan 8.270 nan 0.000 0.433 499 S N 0.394 116.000 115.700 -0.158 0.000 2.383 499 S HA -0.156 4.314 4.470 -0.000 0.000 0.229 499 S C 1.455 175.909 174.600 -0.242 0.000 1.030 499 S CA 1.550 59.630 58.200 -0.199 0.000 1.002 499 S CB -0.340 62.776 63.200 -0.140 0.000 0.829 499 S HN 0.357 nan 8.310 nan 0.000 0.467 500 D N 0.540 120.780 120.400 -0.267 0.000 2.144 500 D HA -0.009 4.631 4.640 -0.000 0.000 0.200 500 D C 1.454 177.424 176.300 -0.551 0.000 0.978 500 D CA 0.897 54.610 54.000 -0.478 0.000 0.833 500 D CB -0.409 40.041 40.800 -0.583 0.000 0.961 500 D HN 0.621 nan 8.370 nan 0.000 0.470 501 W N 0.620 121.745 121.300 -0.292 0.000 2.409 501 W HA -0.097 4.563 4.660 -0.000 0.000 0.299 501 W C 2.392 178.834 176.519 -0.129 0.000 1.203 501 W CA 0.230 57.494 57.345 -0.134 0.000 1.298 501 W CB -0.255 29.196 29.460 -0.015 0.000 1.127 501 W HN -0.215 nan 8.180 nan 0.000 0.528 502 V N 0.624 120.374 119.914 -0.272 0.000 2.407 502 V HA -0.317 3.803 4.120 -0.000 0.000 0.248 502 V C 2.280 178.326 176.094 -0.081 0.000 1.055 502 V CA 2.185 64.237 62.300 -0.412 0.000 1.049 502 V CB -0.807 30.583 31.823 -0.722 0.000 0.662 502 V HN 0.189 nan 8.190 nan 0.000 0.455 503 R N -0.733 119.678 120.500 -0.148 0.000 2.092 503 R HA -0.203 4.137 4.340 -0.000 0.000 0.231 503 R C 2.493 178.717 176.300 -0.128 0.000 1.119 503 R CA 1.703 57.712 56.100 -0.151 0.000 0.970 503 R CB -0.559 29.601 30.300 -0.232 0.000 0.864 503 R HN 0.686 nan 8.270 nan 0.000 0.440 504 H N -0.420 118.510 119.070 -0.233 0.000 2.289 504 H HA -0.189 4.367 4.556 -0.000 0.000 0.296 504 H C 1.390 176.609 175.328 -0.181 0.000 1.091 504 H CA 2.400 58.295 56.048 -0.256 0.000 1.274 504 H CB -0.130 29.454 29.762 -0.296 0.000 1.364 504 H HN 0.268 nan 8.280 nan 0.000 0.490 505 F N 0.206 120.254 119.950 0.163 0.000 2.416 505 F HA 0.186 4.712 4.527 -0.000 0.000 0.296 505 F C 1.691 177.539 175.800 0.079 0.000 1.099 505 F CA 0.980 59.059 58.000 0.133 0.000 1.427 505 F CB -0.148 39.036 39.000 0.307 0.000 1.079 505 F HN 0.441 nan 8.300 nan 0.000 0.536 506 G N -0.122 108.807 108.800 0.216 0.000 2.733 506 G HA2 0.026 3.986 3.960 -0.000 0.000 0.686 506 G HA3 0.026 3.986 3.960 -0.000 0.000 0.686 506 G C 0.752 175.791 174.900 0.231 0.000 1.373 506 G CA -0.514 44.670 45.100 0.140 0.000 0.838 506 G HN 0.489 nan 8.290 nan 0.000 0.588 507 A N 0.847 123.762 122.820 0.158 0.000 1.865 507 A HA 0.219 4.539 4.320 -0.000 0.000 0.217 507 A C 3.000 180.731 177.584 0.245 0.000 1.191 507 A CA 3.797 55.951 52.037 0.196 0.000 0.623 507 A CB -1.004 18.067 19.000 0.118 0.000 0.826 507 A HN 2.546 nan 8.150 nan 0.000 0.444 508 A N -0.558 122.368 122.820 0.177 0.000 1.873 508 A HA -0.144 4.176 4.320 -0.000 0.000 0.215 508 A C 2.144 179.834 177.584 0.176 0.000 1.186 508 A CA 1.826 53.955 52.037 0.153 0.000 0.616 508 A CB -0.430 18.635 19.000 0.109 0.000 0.823 508 A HN 0.540 nan 8.150 nan 0.000 0.442 509 K N -1.254 119.274 120.400 0.213 0.000 2.097 509 K HA -0.140 4.180 4.320 -0.000 0.000 0.205 509 K C 1.959 178.689 176.600 0.218 0.000 1.050 509 K CA 1.162 57.584 56.287 0.225 0.000 0.938 509 K CB -0.267 32.408 32.500 0.292 0.000 0.718 509 K HN 0.804 nan 8.250 nan 0.000 0.442 510 W N 2.803 124.187 121.300 0.140 0.000 2.335 510 W HA -0.249 4.411 4.660 -0.000 0.000 0.311 510 W C 1.575 178.182 176.519 0.147 0.000 1.213 510 W CA 1.509 58.912 57.345 0.097 0.000 1.274 510 W CB -0.456 29.107 29.460 0.173 0.000 1.148 510 W HN 0.162 nan 8.180 nan 0.000 0.498 511 N N 1.010 119.800 118.700 0.149 0.000 2.104 511 N HA -0.253 4.487 4.740 -0.000 0.000 0.190 511 N C 1.921 177.400 175.510 -0.050 0.000 1.024 511 N CA 1.825 54.897 53.050 0.037 0.000 0.853 511 N CB -0.322 38.250 38.487 0.142 0.000 1.008 511 N HN 0.043 nan 8.380 nan 0.000 0.424 512 R N 0.432 120.932 120.500 -0.000 0.000 2.075 512 R HA -0.054 4.285 4.340 -0.000 0.000 0.232 512 R C 2.060 178.313 176.300 -0.077 0.000 1.126 512 R CA 1.134 57.219 56.100 -0.025 0.000 0.963 512 R CB -1.333 28.980 30.300 0.023 0.000 0.858 512 R HN 0.211 nan 8.270 nan 0.000 0.435 513 F N -0.007 119.784 119.950 -0.265 0.000 2.091 513 F HA -0.223 4.304 4.527 -0.000 0.000 0.299 513 F C 2.098 177.778 175.800 -0.200 0.000 1.103 513 F CA 1.886 59.718 58.000 -0.280 0.000 1.228 513 F CB -0.437 38.195 39.000 -0.612 0.000 0.984 513 F HN -0.116 nan 8.300 nan 0.000 0.477 514 V N -0.065 119.700 119.914 -0.249 0.000 2.343 514 V HA -0.299 3.820 4.120 -0.000 0.000 0.247 514 V C 2.354 178.332 176.094 -0.192 0.000 1.051 514 V CA 2.185 64.350 62.300 -0.226 0.000 1.036 514 V CB -0.667 31.005 31.823 -0.252 0.000 0.654 514 V HN 0.394 nan 8.190 nan 0.000 0.451 515 E N -0.419 119.686 120.200 -0.159 0.000 2.118 515 E HA -0.252 4.098 4.350 -0.000 0.000 0.195 515 E C 2.254 178.744 176.600 -0.184 0.000 0.992 515 E CA 1.434 57.749 56.400 -0.141 0.000 0.804 515 E CB -0.035 29.601 29.700 -0.106 0.000 0.741 515 E HN 0.378 nan 8.360 nan 0.000 0.458 516 M N 0.399 119.861 119.600 -0.230 0.000 2.200 516 M HA -0.083 4.397 4.480 -0.000 0.000 0.265 516 M C 2.192 178.440 176.300 -0.087 0.000 1.066 516 M CA 1.160 56.291 55.300 -0.280 0.000 1.127 516 M CB -0.662 31.504 32.600 -0.723 0.000 1.379 516 M HN -0.066 nan 8.290 nan 0.000 0.420 517 K N 1.056 121.436 120.400 -0.034 0.000 2.026 517 K HA -0.096 4.224 4.320 -0.000 0.000 0.208 517 K C 1.660 178.125 176.600 -0.226 0.000 1.048 517 K CA 1.382 57.576 56.287 -0.155 0.000 0.929 517 K CB -0.192 31.845 32.500 -0.772 0.000 0.713 517 K HN 0.202 nan 8.250 nan 0.000 0.439 518 N N 0.580 119.142 118.700 -0.231 0.000 2.166 518 N HA -0.165 4.575 4.740 -0.000 0.000 0.186 518 N C 1.544 176.962 175.510 -0.154 0.000 1.019 518 N CA 1.178 54.120 53.050 -0.180 0.000 0.856 518 N CB -0.100 38.301 38.487 -0.143 0.000 0.993 518 N HN 0.297 nan 8.380 nan 0.000 0.426 519 K N -0.660 119.607 120.400 -0.222 0.000 2.076 519 K HA -0.056 4.264 4.320 -0.000 0.000 0.204 519 K C 0.923 177.308 176.600 -0.359 0.000 1.051 519 K CA 1.056 57.114 56.287 -0.381 0.000 0.949 519 K CB 0.078 32.173 32.500 -0.676 0.000 0.726 519 K HN 0.116 nan 8.250 nan 0.000 0.443 520 Y N -1.078 119.236 120.300 0.024 0.000 2.444 520 Y HA 0.192 4.742 4.550 -0.000 0.000 0.252 520 Y C 0.017 175.868 175.900 -0.082 0.000 1.091 520 Y CA -0.287 57.848 58.100 0.058 0.000 1.276 520 Y CB 0.939 39.444 38.460 0.074 0.000 1.170 520 Y HN 0.026 nan 8.280 nan 0.000 0.517 521 D N -0.327 120.049 120.400 -0.040 0.000 3.060 521 D HA 0.181 4.821 4.640 -0.000 0.000 0.326 521 D C -2.288 173.874 176.300 -0.230 0.000 1.253 521 D CA -1.811 52.090 54.000 -0.165 0.000 0.737 521 D CB 0.661 41.383 40.800 -0.131 0.000 1.260 521 D HN -0.079 nan 8.370 nan 0.000 0.542 522 P HA -0.145 nan 4.420 nan 0.000 0.219 522 P C 0.961 178.174 177.300 -0.145 0.000 1.146 522 P CA 0.810 63.798 63.100 -0.187 0.000 0.808 522 P CB 0.353 31.969 31.700 -0.140 0.000 0.779 523 K N -0.773 119.544 120.400 -0.138 0.000 2.459 523 K HA 0.049 4.368 4.320 -0.000 0.000 0.193 523 K C 0.180 176.756 176.600 -0.041 0.000 1.030 523 K CA -0.104 56.145 56.287 -0.063 0.000 1.026 523 K CB -0.143 32.336 32.500 -0.035 0.000 0.809 523 K HN -0.128 nan 8.250 nan 0.000 0.504 524 R N 0.445 120.887 120.500 -0.097 0.000 3.205 524 R HA -0.163 4.177 4.340 -0.000 0.000 0.249 524 R C 0.428 176.731 176.300 0.004 0.000 0.937 524 R CA 0.168 56.226 56.100 -0.071 0.000 0.641 524 R CB -2.230 28.063 30.300 -0.011 0.000 1.114 524 R HN 0.231 nan 8.270 nan 0.000 0.451 525 L N -0.822 120.399 121.223 -0.003 0.000 2.357 525 L HA 0.174 4.514 4.340 -0.000 0.000 0.211 525 L C 0.844 177.722 176.870 0.013 0.000 1.075 525 L CA 0.220 55.092 54.840 0.052 0.000 0.830 525 L CB 0.024 42.131 42.059 0.080 0.000 0.996 525 L HN 0.185 nan 8.230 nan 0.000 0.467 526 L N 0.369 121.580 121.223 -0.021 0.000 2.331 526 L HA 0.168 4.508 4.340 -0.000 0.000 0.278 526 L C 0.526 177.368 176.870 -0.047 0.000 1.106 526 L CA -0.275 54.539 54.840 -0.043 0.000 0.824 526 L CB 1.013 43.101 42.059 0.048 0.000 1.142 526 L HN 0.105 nan 8.230 nan 0.000 0.443 527 S N 2.339 117.975 115.700 -0.107 0.000 3.524 527 S HA -0.090 4.380 4.470 -0.000 0.000 0.377 527 S C -1.312 173.289 174.600 0.001 0.000 0.949 527 S CA 0.210 58.381 58.200 -0.047 0.000 1.264 527 S CB -0.829 62.384 63.200 0.022 0.000 0.918 527 S HN 0.696 nan 8.310 nan 0.000 0.517 528 P HA -0.044 nan 4.420 nan 0.000 0.222 528 P C 1.663 179.005 177.300 0.069 0.000 1.147 528 P CA 1.380 64.513 63.100 0.056 0.000 0.790 528 P CB -0.280 31.458 31.700 0.065 0.000 0.780 529 G N 0.317 109.152 108.800 0.059 0.000 2.535 529 G HA2 -0.200 3.760 3.960 -0.000 0.000 0.218 529 G HA3 -0.200 3.760 3.960 -0.000 0.000 0.218 529 G C 1.545 176.480 174.900 0.057 0.000 1.122 529 G CA 0.233 45.367 45.100 0.056 0.000 0.769 529 G HN 0.245 nan 8.290 nan 0.000 0.549 530 Q N 0.209 120.046 119.800 0.062 0.000 2.378 530 Q HA -0.013 4.327 4.340 -0.000 0.000 0.205 530 Q C 0.533 176.644 176.000 0.186 0.000 0.954 530 Q CA 0.709 56.573 55.803 0.101 0.000 0.901 530 Q CB 0.132 28.869 28.738 -0.001 0.000 0.981 530 Q HN 0.410 nan 8.270 nan 0.000 0.483 531 D N -0.796 119.685 120.400 0.136 0.000 2.837 531 D HA -0.204 4.436 4.640 -0.000 0.000 0.230 531 D C 0.625 177.019 176.300 0.157 0.000 1.152 531 D CA 0.539 54.655 54.000 0.193 0.000 0.736 531 D CB -1.364 39.601 40.800 0.275 0.000 1.084 531 D HN 0.357 nan 8.370 nan 0.000 0.429 532 I N -1.489 118.966 120.570 -0.192 0.000 2.512 532 I HA -0.072 4.098 4.170 -0.000 0.000 0.247 532 I C 1.519 177.381 176.117 -0.426 0.000 1.094 532 I CA 0.701 61.629 61.300 -0.621 0.000 1.427 532 I CB -0.066 37.338 38.000 -0.993 0.000 1.149 532 I HN -0.101 nan 8.210 nan 0.000 0.438 533 F N 0.608 120.581 119.950 0.039 0.000 2.698 533 F HA 0.286 4.813 4.527 -0.000 0.000 0.304 533 F C 0.041 175.880 175.800 0.063 0.000 1.108 533 F CA -0.465 57.578 58.000 0.072 0.000 1.263 533 F CB -0.283 38.725 39.000 0.014 0.000 1.013 533 F HN 0.012 nan 8.300 nan 0.000 0.532 534 N N 0.000 118.806 118.700 0.177 0.000 1.763 534 N HA 0.000 4.740 4.740 -0.000 0.000 0.220 534 N CA 0.000 53.135 53.050 0.141 0.000 0.885 534 N CB 0.000 38.560 38.487 0.121 0.000 1.341 534 N HN 0.000 nan 8.380 nan 0.000 0.667