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 1qjm_1_A DATA FIRST_RESID 1 DATA SEQUENCE APRKSVRWcT ISPAEAAKcA KFQRNMKKVR GPSVScIRKT SSFEcIQAIA DATA SEQUENCE ANKADAVTLD GGLVYEAGLH PYKLRPVAAE VYQTRGKPQT RYYAVAVVKK DATA SEQUENCE GSGFQLNQLQ GVKScHTGLG RSAGWNIPIG TLRPYLNWTG PPEPLQKAVA DATA SEQUENCE NFFSAScVPc ADGKQYPNLc RLcAGTEADK cAcSSQEPYF GYSGAFKcLE DATA SEQUENCE NGAGDVAFVK DSTVFENLPD EAERDKYELL cPDNTRKPVD AFKEcHLARV DATA SEQUENCE PSHAVVARSV DGREDLIWKL LHRAQEEFGR NKSSAFQLFG STPGEQDLLF DATA SEQUENCE KDSALGFVRI PSQIDSGLYL GANYLTATQN LRETAAEVAA RRERVVWcAV DATA SEQUENCE GPEEERKcKQ WSDVSNRKVA cASASTTEEc IALVLKGEAD ALNLDGGFIY DATA SEQUENCE VAGKcGLVPV LAENQKSQNS NAPDcVHRPP EGYLAVAVVR KSDADLTWNS DATA SEQUENCE LSGKKScHTG VGRTAAWNIP MGLLFNQTGS cKFDKFFSQS cAPGADPQSS DATA SEQUENCE LcALcVGNNE NENKcMPNSE ERYYGYTGAF RcLAEKAGDV AFVKDVTVLQ DATA SEQUENCE NTDGKNSEPW AKDLKQEDFE LLcLDGTRKP VAEAEScHLA RAPNHAVVSQ DATA SEQUENCE SDRAQHLKKV LFLQQDQFGG NGPDcPGKFc LFKSETKNLL FNDNTEcLAE DATA SEQUENCE LQGKTTYEQY LGSEYVTSIT NLRRcSSSPL LEAcAFLRA 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 1 A HA 0.000 nan 4.320 nan 0.000 0.244 1 A C 0.000 177.589 177.584 0.008 0.000 1.274 1 A CA 0.000 52.041 52.037 0.006 0.000 0.836 1 A CB 0.000 19.004 19.000 0.006 0.000 0.831 2 P HA 0.485 nan 4.420 nan 0.000 0.267 2 P C -0.348 176.958 177.300 0.009 0.000 1.201 2 P CA 0.432 63.537 63.100 0.008 0.000 0.775 2 P CB 0.231 31.935 31.700 0.007 0.000 0.854 3 R N 1.289 121.796 120.500 0.012 0.000 2.514 3 R HA 0.351 4.690 4.340 -0.000 0.000 0.296 3 R C -0.341 175.968 176.300 0.015 0.000 1.012 3 R CA -0.979 55.130 56.100 0.014 0.000 0.897 3 R CB 0.809 31.120 30.300 0.018 0.000 1.184 3 R HN 0.225 nan 8.270 nan 0.000 0.440 4 K N 1.223 121.631 120.400 0.012 0.000 2.370 4 K HA 0.006 4.325 4.320 -0.000 0.000 0.263 4 K C -0.639 175.971 176.600 0.017 0.000 0.983 4 K CA 0.777 57.072 56.287 0.012 0.000 0.873 4 K CB 0.245 32.750 32.500 0.009 0.000 0.979 4 K HN 0.722 nan 8.250 nan 0.000 0.529 5 S N -0.301 115.408 115.700 0.016 0.000 2.554 5 S HA 0.380 4.850 4.470 -0.000 0.000 0.278 5 S C -0.455 174.164 174.600 0.032 0.000 1.242 5 S CA -1.136 57.076 58.200 0.021 0.000 1.051 5 S CB 1.448 64.655 63.200 0.012 0.000 0.986 5 S HN 0.265 nan 8.310 nan 0.000 0.502 6 V N 3.396 123.343 119.914 0.056 0.000 2.479 6 V HA 0.179 4.298 4.120 -0.000 0.000 0.281 6 V C 0.748 176.901 176.094 0.098 0.000 1.031 6 V CA -0.139 62.210 62.300 0.080 0.000 1.038 6 V CB -0.255 31.666 31.823 0.163 0.000 0.981 6 V HN 0.788 nan 8.190 nan 0.000 0.478 7 R N 4.887 125.415 120.500 0.046 0.000 2.210 7 R HA 0.179 4.519 4.340 -0.000 0.000 0.338 7 R C -0.554 175.785 176.300 0.065 0.000 1.062 7 R CA -0.297 55.835 56.100 0.054 0.000 0.902 7 R CB 0.737 31.041 30.300 0.006 0.000 1.050 7 R HN 0.685 nan 8.270 nan 0.000 0.461 8 W N 4.922 126.237 121.300 0.025 0.000 2.335 8 W HA 0.169 4.829 4.660 -0.000 0.000 0.307 8 W C -0.361 176.169 176.519 0.019 0.000 1.117 8 W CA -1.423 55.944 57.345 0.037 0.000 1.228 8 W CB 1.400 30.909 29.460 0.082 0.000 1.240 8 W HN 0.499 nan 8.180 nan 0.000 0.468 9 c N 7.777 126.420 118.600 0.072 0.000 2.428 9 c HA 0.247 4.817 4.570 -0.000 0.000 0.362 9 c C 1.223 175.424 174.090 0.184 0.000 1.114 9 c CA 0.017 56.395 56.329 0.081 0.000 1.473 9 c CB -1.738 40.744 42.510 -0.045 0.000 2.003 9 c HN 0.596 nan 8.230 nan 0.000 0.526 10 T N 2.893 117.551 114.554 0.173 0.000 2.788 10 T HA 0.352 4.701 4.350 -0.000 0.000 0.287 10 T C 0.943 175.693 174.700 0.083 0.000 1.007 10 T CA -0.195 61.988 62.100 0.139 0.000 1.005 10 T CB 0.886 69.813 68.868 0.099 0.000 1.012 10 T HN 0.851 nan 8.240 nan 0.000 0.530 11 I N -2.263 118.346 120.570 0.066 0.000 4.439 11 I HA 0.370 4.540 4.170 -0.000 0.000 0.331 11 I C 0.075 176.184 176.117 -0.012 0.000 1.345 11 I CA -0.639 60.680 61.300 0.032 0.000 1.193 11 I CB 0.362 38.391 38.000 0.049 0.000 1.221 11 I HN 0.743 nan 8.210 nan 0.000 0.429 12 S N -0.844 114.854 115.700 -0.004 0.000 2.587 12 S HA 0.527 4.997 4.470 -0.000 0.000 0.269 12 S C -2.581 172.014 174.600 -0.008 0.000 1.154 12 S CA -0.793 57.390 58.200 -0.028 0.000 0.824 12 S CB 1.514 64.681 63.200 -0.056 0.000 1.118 12 S HN -0.251 nan 8.310 nan 0.000 0.462 13 P HA -0.176 nan 4.420 nan 0.000 0.215 13 P C 1.803 179.105 177.300 0.002 0.000 1.163 13 P CA 2.875 65.971 63.100 -0.007 0.000 0.894 13 P CB -0.330 31.363 31.700 -0.013 0.000 0.791 14 A N -0.215 122.608 122.820 0.005 0.000 1.881 14 A HA -0.360 3.959 4.320 -0.000 0.000 0.219 14 A C 2.262 179.860 177.584 0.023 0.000 1.215 14 A CA 2.468 54.515 52.037 0.017 0.000 0.648 14 A CB -1.601 17.418 19.000 0.032 0.000 0.832 14 A HN 0.214 nan 8.150 nan 0.000 0.455 15 E N -0.858 119.360 120.200 0.030 0.000 2.097 15 E HA -0.169 4.180 4.350 -0.000 0.000 0.196 15 E C 2.339 178.956 176.600 0.028 0.000 1.000 15 E CA 1.027 57.447 56.400 0.035 0.000 0.804 15 E CB -0.277 29.454 29.700 0.051 0.000 0.740 15 E HN 0.636 nan 8.360 nan 0.000 0.454 16 A N 1.316 124.151 122.820 0.025 0.000 1.851 16 A HA -0.191 4.129 4.320 -0.000 0.000 0.216 16 A C 2.421 180.007 177.584 0.005 0.000 1.195 16 A CA 2.042 54.092 52.037 0.022 0.000 0.622 16 A CB -1.022 17.988 19.000 0.015 0.000 0.831 16 A HN 0.365 nan 8.150 nan 0.000 0.444 17 A N -0.150 122.667 122.820 -0.004 0.000 1.884 17 A HA -0.302 4.018 4.320 -0.000 0.000 0.219 17 A C 2.153 179.715 177.584 -0.036 0.000 1.197 17 A CA 2.633 54.657 52.037 -0.021 0.000 0.637 17 A CB -0.659 18.331 19.000 -0.017 0.000 0.827 17 A HN 0.623 nan 8.150 nan 0.000 0.450 18 K N -0.628 119.762 120.400 -0.017 0.000 1.991 18 K HA -0.224 4.096 4.320 -0.000 0.000 0.212 18 K C 2.223 178.810 176.600 -0.022 0.000 1.049 18 K CA 1.835 58.109 56.287 -0.022 0.000 0.932 18 K CB -0.737 31.774 32.500 0.018 0.000 0.717 18 K HN 0.585 nan 8.250 nan 0.000 0.441 19 c N 0.929 119.538 118.600 0.015 0.000 2.396 19 c HA -0.152 4.417 4.570 -0.000 0.000 0.277 19 c C 2.639 176.744 174.090 0.025 0.000 1.231 19 c CA 1.254 57.620 56.329 0.060 0.000 1.775 19 c CB -1.288 41.259 42.510 0.062 0.000 2.036 19 c HN 0.607 nan 8.230 nan 0.000 0.484 20 A N 0.772 123.576 122.820 -0.026 0.000 1.836 20 A HA -0.266 4.053 4.320 -0.000 0.000 0.215 20 A C 2.228 179.732 177.584 -0.133 0.000 1.214 20 A CA 2.381 54.379 52.037 -0.064 0.000 0.636 20 A CB -1.288 17.676 19.000 -0.060 0.000 0.847 20 A HN 0.724 nan 8.150 nan 0.000 0.451 21 K N -1.783 118.499 120.400 -0.197 0.000 2.163 21 K HA -0.247 4.073 4.320 -0.000 0.000 0.210 21 K C 1.730 177.978 176.600 -0.587 0.000 1.048 21 K CA 2.126 58.191 56.287 -0.370 0.000 0.928 21 K CB -0.387 31.865 32.500 -0.413 0.000 0.716 21 K HN 0.448 nan 8.250 nan 0.000 0.459 22 F N 1.829 121.364 119.950 -0.692 0.000 2.060 22 F HA -0.182 4.345 4.527 -0.000 0.000 0.295 22 F C 2.422 178.053 175.800 -0.283 0.000 1.120 22 F CA 2.008 59.654 58.000 -0.590 0.000 1.205 22 F CB -1.169 37.754 39.000 -0.128 0.000 0.986 22 F HN 0.215 nan 8.300 nan 0.000 0.470 23 Q N 0.422 120.058 119.800 -0.273 0.000 2.096 23 Q HA -0.285 4.055 4.340 -0.000 0.000 0.208 23 Q C 2.567 178.449 176.000 -0.197 0.000 0.993 23 Q CA 2.369 57.995 55.803 -0.296 0.000 0.862 23 Q CB -0.458 28.180 28.738 -0.167 0.000 0.915 23 Q HN 0.453 nan 8.270 nan 0.000 0.416 24 R N 0.141 120.543 120.500 -0.164 0.000 2.057 24 R HA -0.127 4.213 4.340 -0.000 0.000 0.229 24 R C 1.633 177.882 176.300 -0.085 0.000 1.136 24 R CA 1.856 57.889 56.100 -0.111 0.000 0.952 24 R CB -0.562 29.673 30.300 -0.110 0.000 0.848 24 R HN 0.345 nan 8.270 nan 0.000 0.430 25 N N 0.321 118.925 118.700 -0.161 0.000 2.132 25 N HA -0.213 4.526 4.740 -0.000 0.000 0.191 25 N C 1.766 177.384 175.510 0.180 0.000 1.015 25 N CA 2.210 55.223 53.050 -0.062 0.000 0.864 25 N CB -0.156 38.079 38.487 -0.419 0.000 1.006 25 N HN 0.130 nan 8.380 nan 0.000 0.430 26 M N 1.126 120.767 119.600 0.069 0.000 2.065 26 M HA -0.170 4.309 4.480 -0.000 0.000 0.259 26 M C 2.005 178.371 176.300 0.110 0.000 1.071 26 M CA 1.564 56.943 55.300 0.133 0.000 1.109 26 M CB -0.363 32.154 32.600 -0.137 0.000 1.313 26 M HN 0.005 nan 8.290 nan 0.000 0.408 27 K N 0.286 120.703 120.400 0.028 0.000 2.057 27 K HA -0.208 4.112 4.320 -0.000 0.000 0.206 27 K C 1.963 178.597 176.600 0.056 0.000 1.050 27 K CA 1.699 58.002 56.287 0.027 0.000 0.935 27 K CB -0.685 31.812 32.500 -0.005 0.000 0.715 27 K HN 0.430 nan 8.250 nan 0.000 0.439 28 K N 1.047 121.489 120.400 0.070 0.000 2.281 28 K HA -0.076 4.244 4.320 -0.000 0.000 0.203 28 K C 1.631 178.294 176.600 0.106 0.000 1.046 28 K CA 1.191 57.526 56.287 0.080 0.000 0.938 28 K CB 0.149 32.703 32.500 0.091 0.000 0.737 28 K HN 0.061 nan 8.250 nan 0.000 0.458 29 V N 0.892 120.898 119.914 0.153 0.000 3.235 29 V HA 0.008 4.127 4.120 -0.000 0.000 0.259 29 V C 0.217 176.354 176.094 0.072 0.000 1.133 29 V CA 0.514 62.891 62.300 0.129 0.000 1.128 29 V CB -0.777 31.168 31.823 0.205 0.000 0.757 29 V HN 0.419 nan 8.190 nan 0.000 0.469 30 R N 0.029 120.568 120.500 0.065 0.000 3.184 30 R HA -0.112 4.228 4.340 -0.000 0.000 0.257 30 R C 0.295 176.621 176.300 0.044 0.000 0.999 30 R CA 0.431 56.556 56.100 0.041 0.000 0.670 30 R CB -2.034 28.283 30.300 0.028 0.000 1.197 30 R HN 0.590 nan 8.270 nan 0.000 0.419 31 G N 0.592 109.427 108.800 0.057 0.000 2.658 31 G HA2 0.696 4.656 3.960 -0.000 0.000 0.292 31 G HA3 0.696 4.656 3.960 -0.000 0.000 0.292 31 G C -2.618 172.308 174.900 0.043 0.000 1.320 31 G CA -1.434 43.702 45.100 0.060 0.000 0.933 31 G HN -0.067 nan 8.290 nan 0.000 0.476 32 P HA 0.110 nan 4.420 nan 0.000 0.264 32 P C 0.404 177.708 177.300 0.006 0.000 1.173 32 P CA 0.092 63.209 63.100 0.029 0.000 0.761 32 P CB 0.578 32.303 31.700 0.042 0.000 0.794 33 S N 1.308 117.006 115.700 -0.004 0.000 2.645 33 S HA 0.624 5.094 4.470 -0.000 0.000 0.266 33 S C 0.048 174.620 174.600 -0.047 0.000 1.258 33 S CA -0.623 57.556 58.200 -0.034 0.000 0.990 33 S CB 0.769 63.954 63.200 -0.024 0.000 0.967 33 S HN 0.215 nan 8.310 nan 0.000 0.556 34 V N -0.531 119.329 119.914 -0.090 0.000 0.000 34 V HA 0.941 5.061 4.120 -0.000 0.000 0.000 34 V C -0.076 175.997 176.094 -0.035 0.000 0.000 34 V CA -0.824 61.433 62.300 -0.073 0.000 0.000 34 V CB 1.591 33.279 31.823 -0.226 0.000 0.000 34 V HN 1.054 nan 8.190 nan 0.000 0.000 35 S N -0.941 114.771 115.700 0.020 0.000 2.578 35 S HA 0.551 5.021 4.470 -0.000 0.000 0.272 35 S C -1.658 173.001 174.600 0.098 0.000 1.145 35 S CA -0.441 57.781 58.200 0.036 0.000 0.835 35 S CB 1.360 64.578 63.200 0.031 0.000 1.104 35 S HN 1.010 nan 8.310 nan 0.000 0.458 36 c N 4.246 122.893 118.600 0.078 0.000 2.340 36 c HA 0.689 5.259 4.570 -0.000 0.000 0.323 36 c C 0.031 174.165 174.090 0.074 0.000 1.260 36 c CA -1.157 55.237 56.329 0.108 0.000 1.464 36 c CB -0.565 41.998 42.510 0.088 0.000 2.156 36 c HN 0.711 nan 8.230 nan 0.000 0.476 37 I N 2.471 123.088 120.570 0.077 0.000 2.970 37 I HA 0.497 4.667 4.170 -0.000 0.000 0.310 37 I C 0.594 176.740 176.117 0.049 0.000 1.010 37 I CA -0.236 61.092 61.300 0.046 0.000 1.228 37 I CB 0.587 38.605 38.000 0.032 0.000 1.433 37 I HN 0.622 nan 8.210 nan 0.000 0.573 38 R N 2.860 123.379 120.500 0.032 0.000 2.483 38 R HA 0.425 4.765 4.340 -0.000 0.000 0.303 38 R C -0.578 175.733 176.300 0.019 0.000 0.987 38 R CA -0.756 55.361 56.100 0.028 0.000 0.881 38 R CB 2.220 32.532 30.300 0.020 0.000 1.177 38 R HN 0.504 nan 8.270 nan 0.000 0.451 39 K N -0.000 120.412 120.400 0.020 0.000 2.082 39 K HA 0.407 4.726 4.320 -0.000 0.000 0.242 39 K C 1.021 177.624 176.600 0.005 0.000 1.070 39 K CA -0.426 55.868 56.287 0.012 0.000 0.892 39 K CB 0.893 33.402 32.500 0.016 0.000 1.417 39 K HN 0.553 nan 8.250 nan 0.000 0.541 40 T N -3.067 111.487 114.554 -0.000 0.000 2.985 40 T HA 0.158 4.508 4.350 -0.000 0.000 0.254 40 T C 0.624 175.313 174.700 -0.018 0.000 1.021 40 T CA 0.047 62.136 62.100 -0.019 0.000 0.957 40 T CB 0.047 68.897 68.868 -0.029 0.000 1.047 40 T HN 0.472 nan 8.240 nan 0.000 0.511 41 S N -0.556 115.156 115.700 0.020 0.000 2.588 41 S HA 0.523 4.992 4.470 -0.000 0.000 0.269 41 S C 0.617 175.271 174.600 0.089 0.000 1.157 41 S CA -0.094 58.143 58.200 0.061 0.000 0.824 41 S CB 1.394 64.660 63.200 0.110 0.000 1.126 41 S HN -0.039 nan 8.310 nan 0.000 0.464 42 S N 0.754 116.521 115.700 0.113 0.000 2.353 42 S HA -0.038 4.432 4.470 -0.000 0.000 0.222 42 S C 1.352 175.960 174.600 0.014 0.000 1.035 42 S CA 1.875 60.098 58.200 0.038 0.000 1.025 42 S CB -0.882 62.316 63.200 -0.003 0.000 0.902 42 S HN 0.619 nan 8.310 nan 0.000 0.440 43 F N 1.703 121.633 119.950 -0.033 0.000 2.161 43 F HA -0.126 4.401 4.527 -0.000 0.000 0.300 43 F C 2.584 178.320 175.800 -0.107 0.000 1.089 43 F CA 1.331 59.284 58.000 -0.078 0.000 1.282 43 F CB -0.350 38.617 39.000 -0.054 0.000 1.010 43 F HN 0.249 nan 8.300 nan 0.000 0.485 44 E N -0.663 119.620 120.200 0.138 0.000 2.015 44 E HA -0.224 4.126 4.350 -0.000 0.000 0.191 44 E C 2.368 178.969 176.600 0.001 0.000 0.991 44 E CA 1.413 57.843 56.400 0.051 0.000 0.802 44 E CB -0.414 29.311 29.700 0.042 0.000 0.759 44 E HN 0.335 nan 8.360 nan 0.000 0.447 45 c N 0.804 119.404 118.600 0.001 0.000 2.382 45 c HA -0.240 4.330 4.570 -0.000 0.000 0.274 45 c C 2.506 176.554 174.090 -0.069 0.000 1.180 45 c CA 0.839 57.151 56.329 -0.027 0.000 1.799 45 c CB -1.096 41.401 42.510 -0.022 0.000 2.094 45 c HN 0.430 nan 8.230 nan 0.000 0.468 46 I N -0.011 120.494 120.570 -0.108 0.000 2.053 46 I HA -0.374 3.796 4.170 -0.000 0.000 0.236 46 I C 2.660 178.681 176.117 -0.160 0.000 1.038 46 I CA 2.085 63.273 61.300 -0.187 0.000 1.304 46 I CB -1.017 36.785 38.000 -0.330 0.000 1.023 46 I HN 0.501 nan 8.210 nan 0.000 0.395 47 Q N 0.666 120.365 119.800 -0.168 0.000 2.077 47 Q HA -0.261 4.078 4.340 -0.000 0.000 0.206 47 Q C 2.437 178.483 176.000 0.075 0.000 0.989 47 Q CA 1.953 57.781 55.803 0.041 0.000 0.853 47 Q CB -0.439 28.362 28.738 0.104 0.000 0.907 47 Q HN 0.642 nan 8.270 nan 0.000 0.418 48 A N 1.290 124.121 122.820 0.018 0.000 1.859 48 A HA -0.227 4.093 4.320 -0.000 0.000 0.217 48 A C 2.091 179.676 177.584 0.001 0.000 1.198 48 A CA 1.581 53.624 52.037 0.011 0.000 0.629 48 A CB -0.868 18.129 19.000 -0.005 0.000 0.830 48 A HN 0.332 nan 8.150 nan 0.000 0.446 49 I N -0.316 120.237 120.570 -0.028 0.000 2.208 49 I HA -0.332 3.838 4.170 -0.000 0.000 0.245 49 I C 3.006 179.121 176.117 -0.004 0.000 1.097 49 I CA 1.035 62.310 61.300 -0.042 0.000 1.363 49 I CB -0.425 37.523 38.000 -0.087 0.000 1.051 49 I HN 0.413 nan 8.210 nan 0.000 0.413 50 A N 0.813 123.658 122.820 0.042 0.000 1.903 50 A HA -0.216 4.104 4.320 -0.000 0.000 0.219 50 A C 2.026 179.643 177.584 0.055 0.000 1.191 50 A CA 2.041 54.138 52.037 0.100 0.000 0.638 50 A CB -0.802 18.378 19.000 0.299 0.000 0.823 50 A HN 0.453 nan 8.150 nan 0.000 0.451 51 A N -0.881 121.971 122.820 0.053 0.000 2.929 51 A HA 0.400 4.720 4.320 -0.000 0.000 0.279 51 A C 0.645 178.235 177.584 0.009 0.000 1.418 51 A CA 0.376 52.429 52.037 0.027 0.000 1.035 51 A CB -1.504 17.516 19.000 0.034 0.000 1.047 51 A HN 0.744 nan 8.150 nan 0.000 0.609 52 N N -0.549 118.151 118.700 -0.001 0.000 2.666 52 N HA -0.246 4.494 4.740 -0.000 0.000 0.249 52 N C 1.282 176.787 175.510 -0.009 0.000 1.063 52 N CA 1.201 54.244 53.050 -0.011 0.000 0.750 52 N CB -0.145 38.336 38.487 -0.011 0.000 0.992 52 N HN 0.429 nan 8.380 nan 0.000 0.542 53 K N -0.475 119.922 120.400 -0.006 0.000 2.365 53 K HA 0.238 4.558 4.320 -0.000 0.000 0.197 53 K C 0.335 176.928 176.600 -0.012 0.000 1.042 53 K CA 1.212 57.497 56.287 -0.004 0.000 0.987 53 K CB 0.148 32.650 32.500 0.004 0.000 0.779 53 K HN 0.456 nan 8.250 nan 0.000 0.484 54 A N -0.268 122.535 122.820 -0.027 0.000 2.534 54 A HA 0.485 4.805 4.320 -0.000 0.000 0.300 54 A C -0.836 176.701 177.584 -0.078 0.000 1.223 54 A CA -0.405 51.604 52.037 -0.046 0.000 0.666 54 A CB 0.413 19.382 19.000 -0.051 0.000 1.316 54 A HN 0.095 nan 8.150 nan 0.000 0.468 55 D N -0.880 119.444 120.400 -0.127 0.000 2.448 55 D HA 0.445 5.085 4.640 -0.000 0.000 0.256 55 D C 0.363 176.489 176.300 -0.290 0.000 1.108 55 D CA 1.163 55.066 54.000 -0.161 0.000 0.848 55 D CB 1.288 42.020 40.800 -0.112 0.000 1.281 55 D HN 0.861 nan 8.370 nan 0.000 0.509 56 A N 0.851 123.375 122.820 -0.494 0.000 2.609 56 A HA 0.703 5.022 4.320 -0.000 0.000 0.291 56 A C -1.421 175.543 177.584 -1.034 0.000 1.096 56 A CA -0.690 50.850 52.037 -0.828 0.000 0.684 56 A CB 2.117 20.350 19.000 -1.279 0.000 1.282 56 A HN 0.231 nan 8.150 nan 0.000 0.412 57 V N -1.866 117.585 119.914 -0.772 0.000 2.839 57 V HA 0.539 4.659 4.120 -0.000 0.000 0.284 57 V C -0.502 175.587 176.094 -0.008 0.000 1.397 57 V CA -0.526 61.607 62.300 -0.278 0.000 0.938 57 V CB 0.557 32.298 31.823 -0.136 0.000 1.112 57 V HN 1.004 nan 8.190 nan 0.000 0.443 58 T N 6.442 121.166 114.554 0.283 0.000 2.888 58 T HA 0.616 4.966 4.350 -0.000 0.000 0.301 58 T C -0.107 174.676 174.700 0.138 0.000 1.001 58 T CA 0.288 62.562 62.100 0.290 0.000 1.147 58 T CB 0.462 69.510 68.868 0.300 0.000 0.931 58 T HN 0.628 nan 8.240 nan 0.000 0.541 59 L N 2.052 123.328 121.223 0.089 0.000 2.333 59 L HA 0.522 4.861 4.340 -0.000 0.000 0.263 59 L C -0.054 176.738 176.870 -0.131 0.000 1.014 59 L CA -1.203 53.614 54.840 -0.037 0.000 0.820 59 L CB 2.329 44.355 42.059 -0.056 0.000 1.352 59 L HN 0.556 nan 8.230 nan 0.000 0.421 60 D N 0.062 120.279 120.400 -0.305 0.000 2.283 60 D HA 0.275 4.914 4.640 -0.000 0.000 0.248 60 D C 1.108 177.370 176.300 -0.063 0.000 1.072 60 D CA 0.407 54.133 54.000 -0.457 0.000 0.929 60 D CB 1.981 42.532 40.800 -0.415 0.000 1.182 60 D HN 0.569 nan 8.370 nan 0.000 0.433 61 G N 1.876 110.726 108.800 0.083 0.000 2.599 61 G HA2 -0.309 3.651 3.960 -0.000 0.000 0.219 61 G HA3 -0.309 3.651 3.960 -0.000 0.000 0.219 61 G C 1.428 176.394 174.900 0.109 0.000 1.193 61 G CA 1.095 46.233 45.100 0.062 0.000 0.778 61 G HN 0.651 nan 8.290 nan 0.000 0.589 62 G N 0.564 109.459 108.800 0.158 0.000 2.513 62 G HA2 -0.234 3.726 3.960 -0.000 0.000 0.219 62 G HA3 -0.234 3.726 3.960 -0.000 0.000 0.219 62 G C 1.753 176.739 174.900 0.143 0.000 1.160 62 G CA 0.959 46.197 45.100 0.229 0.000 0.767 62 G HN 0.401 nan 8.290 nan 0.000 0.571 63 L N 0.156 121.374 121.223 -0.009 0.000 2.156 63 L HA -0.022 4.317 4.340 -0.000 0.000 0.208 63 L C 3.058 179.905 176.870 -0.038 0.000 1.095 63 L CA 0.464 55.220 54.840 -0.141 0.000 0.770 63 L CB -0.513 41.363 42.059 -0.305 0.000 0.914 63 L HN 0.125 nan 8.230 nan 0.000 0.439 64 V N -0.179 119.762 119.914 0.044 0.000 2.252 64 V HA -0.386 3.733 4.120 -0.000 0.000 0.249 64 V C 2.276 178.461 176.094 0.150 0.000 1.056 64 V CA 2.294 64.643 62.300 0.081 0.000 1.022 64 V CB -0.771 31.144 31.823 0.152 0.000 0.641 64 V HN 0.424 nan 8.190 nan 0.000 0.445 65 Y N 1.255 121.609 120.300 0.091 0.000 2.040 65 Y HA -0.310 4.240 4.550 -0.000 0.000 0.275 65 Y C 2.683 178.635 175.900 0.087 0.000 1.171 65 Y CA 2.383 60.556 58.100 0.122 0.000 1.123 65 Y CB -0.350 38.223 38.460 0.187 0.000 0.963 65 Y HN 0.266 nan 8.280 nan 0.000 0.493 66 E N 0.474 120.776 120.200 0.170 0.000 2.070 66 E HA -0.270 4.080 4.350 -0.000 0.000 0.197 66 E C 2.427 178.997 176.600 -0.050 0.000 1.004 66 E CA 1.307 57.715 56.400 0.012 0.000 0.805 66 E CB -0.952 28.786 29.700 0.064 0.000 0.744 66 E HN 0.611 nan 8.360 nan 0.000 0.451 67 A N 0.800 123.584 122.820 -0.060 0.000 2.084 67 A HA -0.124 4.196 4.320 -0.000 0.000 0.221 67 A C 2.309 179.883 177.584 -0.017 0.000 1.161 67 A CA 1.877 53.866 52.037 -0.080 0.000 0.653 67 A CB -0.740 18.207 19.000 -0.089 0.000 0.802 67 A HN 0.329 nan 8.150 nan 0.000 0.457 68 G N -1.048 107.740 108.800 -0.020 0.000 2.744 68 G HA2 0.322 4.281 3.960 -0.000 0.000 0.211 68 G HA3 0.322 4.281 3.960 -0.000 0.000 0.211 68 G C 0.570 175.449 174.900 -0.035 0.000 1.146 68 G CA -0.338 44.752 45.100 -0.017 0.000 0.787 68 G HN 0.409 nan 8.290 nan 0.000 0.534 69 L N 1.176 122.359 121.223 -0.066 0.000 2.525 69 L HA -0.009 4.331 4.340 -0.000 0.000 0.278 69 L C 1.991 178.885 176.870 0.040 0.000 1.218 69 L CA -0.391 54.429 54.840 -0.033 0.000 0.878 69 L CB 0.190 42.225 42.059 -0.039 0.000 1.127 69 L HN 0.318 nan 8.230 nan 0.000 0.492 70 H N 5.250 124.314 119.070 -0.011 0.000 1.481 70 H HA -0.275 4.281 4.556 -0.000 0.000 0.095 70 H C -0.832 174.463 175.328 -0.056 0.000 1.138 70 H CA 3.169 59.201 56.048 -0.027 0.000 1.892 70 H CB -1.582 28.157 29.762 -0.037 0.000 2.248 70 H HN 0.641 nan 8.280 nan 0.000 0.959 71 P HA -0.224 nan 4.420 nan 0.000 0.218 71 P C 1.201 178.161 177.300 -0.566 0.000 1.152 71 P CA 2.488 65.202 63.100 -0.644 0.000 0.857 71 P CB -0.538 30.803 31.700 -0.597 0.000 0.787 72 Y N -1.047 119.153 120.300 -0.167 0.000 2.266 72 Y HA 0.193 4.743 4.550 -0.000 0.000 0.294 72 Y C 1.123 176.948 175.900 -0.125 0.000 1.127 72 Y CA 0.084 58.115 58.100 -0.115 0.000 1.140 72 Y CB -0.487 37.933 38.460 -0.066 0.000 1.071 72 Y HN -0.270 nan 8.280 nan 0.000 0.525 73 K N 1.105 121.524 120.400 0.031 0.000 3.898 73 K HA -0.137 4.182 4.320 -0.000 0.000 0.282 73 K C -1.285 175.312 176.600 -0.006 0.000 1.014 73 K CA 0.371 56.647 56.287 -0.019 0.000 0.848 73 K CB -1.841 30.619 32.500 -0.066 0.000 1.469 73 K HN 0.338 nan 8.250 nan 0.000 0.446 74 L N 0.990 122.212 121.223 -0.001 0.000 2.343 74 L HA 0.489 4.829 4.340 -0.000 0.000 0.275 74 L C 0.874 177.722 176.870 -0.037 0.000 1.056 74 L CA -0.722 54.101 54.840 -0.028 0.000 0.804 74 L CB 1.469 43.502 42.059 -0.045 0.000 1.203 74 L HN 0.260 nan 8.230 nan 0.000 0.440 75 R N 4.258 124.723 120.500 -0.057 0.000 2.534 75 R HA 0.443 4.783 4.340 -0.000 0.000 0.301 75 R C -2.684 173.551 176.300 -0.109 0.000 0.961 75 R CA -1.717 54.341 56.100 -0.069 0.000 0.871 75 R CB 2.057 32.317 30.300 -0.067 0.000 1.170 75 R HN 0.252 nan 8.270 nan 0.000 0.446 76 P HA -0.013 nan 4.420 nan 0.000 0.268 76 P C 0.463 177.635 177.300 -0.213 0.000 1.282 76 P CA -0.073 62.874 63.100 -0.255 0.000 0.880 76 P CB 1.119 32.477 31.700 -0.570 0.000 0.971 77 V N 3.519 123.352 119.914 -0.135 0.000 2.273 77 V HA 0.021 4.141 4.120 -0.000 0.000 0.242 77 V C 1.332 177.384 176.094 -0.070 0.000 1.035 77 V CA 2.023 64.265 62.300 -0.098 0.000 1.013 77 V CB -0.871 30.929 31.823 -0.038 0.000 0.652 77 V HN 0.604 nan 8.190 nan 0.000 0.452 78 A N -0.789 122.043 122.820 0.021 0.000 2.380 78 A HA 0.885 5.205 4.320 -0.000 0.000 0.315 78 A C -0.575 177.130 177.584 0.201 0.000 1.101 78 A CA -0.008 52.120 52.037 0.153 0.000 0.771 78 A CB 1.586 20.738 19.000 0.253 0.000 1.287 78 A HN 0.597 nan 8.150 nan 0.000 0.436 79 A N 1.128 124.144 122.820 0.328 0.000 2.365 79 A HA 0.683 5.003 4.320 -0.000 0.000 0.318 79 A C -0.189 177.638 177.584 0.405 0.000 1.091 79 A CA -0.596 51.647 52.037 0.343 0.000 0.763 79 A CB 0.605 19.808 19.000 0.338 0.000 1.248 79 A HN 0.842 nan 8.150 nan 0.000 0.442 80 E N 0.061 120.431 120.200 0.283 0.000 2.397 80 E HA 0.490 4.840 4.350 -0.000 0.000 0.254 80 E C -0.766 175.631 176.600 -0.337 0.000 1.231 80 E CA -0.485 55.918 56.400 0.005 0.000 0.954 80 E CB 0.917 30.630 29.700 0.022 0.000 1.024 80 E HN 0.374 nan 8.360 nan 0.000 0.481 81 V N 0.940 120.553 119.914 -0.501 0.000 2.808 81 V HA 0.337 4.457 4.120 -0.000 0.000 0.308 81 V C -1.295 174.559 176.094 -0.400 0.000 1.099 81 V CA -0.886 61.115 62.300 -0.498 0.000 0.920 81 V CB 0.718 32.402 31.823 -0.231 0.000 1.014 81 V HN 0.574 nan 8.190 nan 0.000 0.425 82 Y N 1.080 121.267 120.300 -0.187 0.000 3.123 82 Y HA 0.444 4.994 4.550 -0.001 0.000 0.305 82 Y C 1.539 177.338 175.900 -0.167 0.000 1.560 82 Y CA -0.932 57.036 58.100 -0.220 0.000 1.048 82 Y CB -0.096 38.205 38.460 -0.264 0.000 1.380 82 Y HN 0.647 nan 8.280 nan 0.000 0.618 83 Q N 0.448 120.273 119.800 0.040 0.000 1.867 83 Q HA -0.241 4.099 4.340 -0.000 0.000 0.243 83 Q C 0.742 176.730 176.000 -0.020 0.000 1.036 83 Q CA 3.326 59.102 55.803 -0.046 0.000 0.889 83 Q CB -1.505 27.156 28.738 -0.129 0.000 0.983 83 Q HN 0.817 nan 8.270 nan 0.000 0.418 84 T N -0.955 113.606 114.554 0.012 0.000 9.270 84 T HA -0.425 3.925 4.350 -0.000 0.000 0.360 84 T C 0.904 175.650 174.700 0.077 0.000 1.823 84 T CA 2.362 64.506 62.100 0.072 0.000 2.748 84 T CB -1.381 67.513 68.868 0.043 0.000 2.671 84 T HN 0.751 nan 8.240 nan 0.000 1.169 85 R N 0.178 120.682 120.500 0.007 0.000 3.590 85 R HA -0.236 4.103 4.340 -0.000 0.000 0.463 85 R C 0.930 177.214 176.300 -0.026 0.000 0.657 85 R CA 2.252 58.340 56.100 -0.021 0.000 1.512 85 R CB -1.611 28.698 30.300 0.016 0.000 2.154 85 R HN 0.970 nan 8.270 nan 0.000 0.409 86 G N 0.101 108.893 108.800 -0.012 0.000 3.038 86 G HA2 0.297 4.257 3.960 -0.000 0.000 0.168 86 G HA3 0.297 4.257 3.960 -0.000 0.000 0.168 86 G C -1.211 173.678 174.900 -0.019 0.000 1.559 86 G CA -0.205 44.884 45.100 -0.019 0.000 0.990 86 G HN 0.094 nan 8.290 nan 0.000 0.765 87 K N 2.475 122.866 120.400 -0.014 0.000 2.284 87 K HA 0.511 4.831 4.320 -0.000 0.000 0.287 87 K C -2.609 173.975 176.600 -0.027 0.000 1.081 87 K CA -1.610 54.664 56.287 -0.022 0.000 0.910 87 K CB 1.155 33.642 32.500 -0.022 0.000 1.088 87 K HN 0.066 nan 8.250 nan 0.000 0.478 88 P HA -0.200 nan 4.420 nan 0.000 0.267 88 P C -0.693 176.563 177.300 -0.074 0.000 1.158 88 P CA 0.675 63.742 63.100 -0.055 0.000 0.756 88 P CB 0.417 32.082 31.700 -0.058 0.000 0.766 89 Q N 0.088 119.826 119.800 -0.103 0.000 2.831 89 Q HA 0.538 4.878 4.340 -0.000 0.000 0.322 89 Q C -0.256 175.615 176.000 -0.215 0.000 0.923 89 Q CA -0.726 54.996 55.803 -0.136 0.000 0.767 89 Q CB 1.521 30.198 28.738 -0.101 0.000 1.469 89 Q HN 0.442 nan 8.270 nan 0.000 0.496 90 T N -1.968 112.471 114.554 -0.192 0.000 3.393 90 T HA 0.428 4.777 4.350 -0.000 0.000 0.298 90 T C -0.137 174.498 174.700 -0.109 0.000 1.004 90 T CA -0.478 61.517 62.100 -0.176 0.000 0.956 90 T CB 0.234 69.024 68.868 -0.130 0.000 1.182 90 T HN 0.202 nan 8.240 nan 0.000 0.497 91 R N 1.284 121.721 120.500 -0.105 0.000 2.673 91 R HA 0.563 4.903 4.340 -0.000 0.000 0.281 91 R C -1.798 174.480 176.300 -0.037 0.000 0.991 91 R CA -0.671 55.353 56.100 -0.127 0.000 0.896 91 R CB 2.198 32.356 30.300 -0.238 0.000 1.201 91 R HN 0.542 nan 8.270 nan 0.000 0.457 92 Y N -0.857 119.325 120.300 -0.197 0.000 2.504 92 Y HA 0.516 5.065 4.550 -0.001 0.000 0.344 92 Y C -1.363 174.424 175.900 -0.189 0.000 1.023 92 Y CA -1.490 56.513 58.100 -0.161 0.000 1.020 92 Y CB 0.759 39.219 38.460 -0.001 0.000 1.282 92 Y HN 0.393 nan 8.280 nan 0.000 0.454 93 Y N 2.313 122.629 120.300 0.028 0.000 2.359 93 Y HA 0.554 5.103 4.550 -0.001 0.000 0.330 93 Y C 0.487 176.429 175.900 0.070 0.000 1.143 93 Y CA -0.010 58.059 58.100 -0.053 0.000 1.318 93 Y CB 1.181 39.578 38.460 -0.106 0.000 1.234 93 Y HN 0.881 nan 8.280 nan 0.000 0.522 94 A N 4.228 127.198 122.820 0.251 0.000 2.252 94 A HA 0.670 4.989 4.320 -0.000 0.000 0.309 94 A C -0.368 177.395 177.584 0.300 0.000 1.285 94 A CA -0.469 51.725 52.037 0.261 0.000 0.900 94 A CB -0.276 18.841 19.000 0.194 0.000 1.157 94 A HN 0.674 nan 8.150 nan 0.000 0.536 95 V N -0.849 119.229 119.914 0.274 0.000 3.182 95 V HA 0.994 5.114 4.120 -0.000 0.000 0.311 95 V C 0.036 176.257 176.094 0.212 0.000 1.221 95 V CA -0.612 61.830 62.300 0.237 0.000 1.060 95 V CB 1.565 33.498 31.823 0.185 0.000 1.164 95 V HN 1.580 nan 8.190 nan 0.000 0.466 96 A N 0.744 123.636 122.820 0.120 0.000 2.340 96 A HA 0.781 5.100 4.320 -0.000 0.000 0.297 96 A C -0.812 176.724 177.584 -0.080 0.000 1.195 96 A CA -0.513 51.498 52.037 -0.044 0.000 0.769 96 A CB 1.034 20.054 19.000 0.033 0.000 1.163 96 A HN 1.148 nan 8.150 nan 0.000 0.472 97 V N 3.599 123.431 119.914 -0.137 0.000 2.407 97 V HA 0.587 4.706 4.120 -0.000 0.000 0.278 97 V C 0.125 176.161 176.094 -0.097 0.000 1.037 97 V CA -0.290 61.969 62.300 -0.068 0.000 0.900 97 V CB 1.055 32.873 31.823 -0.009 0.000 0.983 97 V HN 0.974 nan 8.190 nan 0.000 0.459 98 V N 2.118 122.014 119.914 -0.030 0.000 2.925 98 V HA 0.632 4.752 4.120 -0.000 0.000 0.311 98 V C -0.582 175.538 176.094 0.042 0.000 1.104 98 V CA -1.384 60.905 62.300 -0.019 0.000 0.954 98 V CB 1.932 33.655 31.823 -0.166 0.000 1.022 98 V HN 0.707 nan 8.190 nan 0.000 0.427 99 K N 2.176 122.585 120.400 0.014 0.000 2.297 99 K HA 0.355 4.675 4.320 -0.000 0.000 0.286 99 K C -0.057 176.483 176.600 -0.100 0.000 1.053 99 K CA -0.372 55.852 56.287 -0.104 0.000 0.940 99 K CB 0.742 33.124 32.500 -0.197 0.000 1.019 99 K HN 0.646 nan 8.250 nan 0.000 0.475 100 K N 0.927 121.258 120.400 -0.115 0.000 2.569 100 K HA -0.142 4.178 4.320 -0.000 0.000 0.280 100 K C 0.956 177.510 176.600 -0.077 0.000 0.984 100 K CA 1.168 57.403 56.287 -0.087 0.000 1.064 100 K CB 0.112 32.564 32.500 -0.079 0.000 0.866 100 K HN 0.974 nan 8.250 nan 0.000 0.492 101 G N 1.247 110.011 108.800 -0.059 0.000 2.157 101 G HA2 -0.314 3.646 3.960 -0.000 0.000 0.248 101 G HA3 -0.314 3.646 3.960 -0.000 0.000 0.248 101 G C 0.782 175.681 174.900 -0.002 0.000 0.979 101 G CA 0.553 45.632 45.100 -0.034 0.000 0.650 101 G HN 0.652 nan 8.290 nan 0.000 0.529 102 S N -0.686 115.021 115.700 0.012 0.000 2.470 102 S HA 0.385 4.855 4.470 -0.000 0.000 0.225 102 S C 2.649 177.373 174.600 0.207 0.000 1.006 102 S CA 1.550 59.836 58.200 0.144 0.000 0.934 102 S CB 0.103 63.459 63.200 0.260 0.000 0.778 102 S HN 2.397 nan 8.310 nan 0.000 0.517 103 G N 2.393 111.204 108.800 0.019 0.000 4.754 103 G HA2 -0.363 3.597 3.960 -0.000 0.000 0.222 103 G HA3 -0.363 3.597 3.960 -0.000 0.000 0.222 103 G C 0.195 175.075 174.900 -0.034 0.000 1.377 103 G CA 0.203 45.312 45.100 0.015 0.000 0.942 103 G HN 1.115 nan 8.290 nan 0.000 0.671 104 F N 2.603 122.544 119.950 -0.014 0.000 2.569 104 F HA 0.452 4.979 4.527 -0.000 0.000 0.372 104 F C 0.436 176.236 175.800 0.000 0.000 1.053 104 F CA -0.250 57.746 58.000 -0.007 0.000 1.282 104 F CB 0.071 39.066 39.000 -0.008 0.000 0.956 104 F HN 0.457 nan 8.300 nan 0.000 0.591 105 Q N 3.137 122.971 119.800 0.056 0.000 2.215 105 Q HA 0.282 4.622 4.340 -0.000 0.000 0.256 105 Q C 1.100 177.135 176.000 0.057 0.000 0.972 105 Q CA -0.902 54.887 55.803 -0.024 0.000 0.889 105 Q CB 1.588 30.330 28.738 0.006 0.000 1.281 105 Q HN 0.927 nan 8.270 nan 0.000 0.456 106 L N 2.653 123.897 121.223 0.035 0.000 2.137 106 L HA -0.274 4.066 4.340 -0.000 0.000 0.213 106 L C 1.432 178.332 176.870 0.051 0.000 1.085 106 L CA 2.274 57.171 54.840 0.094 0.000 0.760 106 L CB -0.417 41.695 42.059 0.088 0.000 0.893 106 L HN 0.718 nan 8.230 nan 0.000 0.434 107 N N -1.210 117.491 118.700 0.002 0.000 2.467 107 N HA -0.145 4.594 4.740 -0.000 0.000 0.184 107 N C 1.315 176.634 175.510 -0.318 0.000 1.106 107 N CA 0.915 53.845 53.050 -0.199 0.000 0.892 107 N CB -0.368 38.196 38.487 0.129 0.000 0.969 107 N HN 0.616 nan 8.380 nan 0.000 0.454 108 Q N -0.020 119.756 119.800 -0.040 0.000 2.282 108 Q HA 0.314 4.654 4.340 -0.000 0.000 0.206 108 Q C 1.528 177.577 176.000 0.082 0.000 0.878 108 Q CA -0.259 55.566 55.803 0.037 0.000 0.944 108 Q CB 0.341 29.154 28.738 0.125 0.000 1.100 108 Q HN 0.289 nan 8.270 nan 0.000 0.509 109 L N 1.086 122.422 121.223 0.189 0.000 2.283 109 L HA -0.222 4.117 4.340 -0.000 0.000 0.217 109 L C 1.349 178.165 176.870 -0.091 0.000 1.104 109 L CA 0.887 55.891 54.840 0.273 0.000 0.772 109 L CB -1.010 41.438 42.059 0.650 0.000 0.899 109 L HN 0.388 nan 8.230 nan 0.000 0.439 110 Q N 1.023 120.576 119.800 -0.411 0.000 2.262 110 Q HA 0.205 4.545 4.340 -0.000 0.000 0.298 110 Q C 0.959 176.718 176.000 -0.402 0.000 1.083 110 Q CA 1.161 56.454 55.803 -0.851 0.000 0.962 110 Q CB 0.512 28.953 28.738 -0.495 0.000 1.104 110 Q HN 0.346 nan 8.270 nan 0.000 0.376 111 G N 2.065 110.642 108.800 -0.372 0.000 2.238 111 G HA2 -0.218 3.742 3.960 -0.000 0.000 0.217 111 G HA3 -0.218 3.742 3.960 -0.000 0.000 0.217 111 G C -0.099 174.700 174.900 -0.168 0.000 0.996 111 G CA -0.158 44.819 45.100 -0.205 0.000 0.632 111 G HN 0.709 nan 8.290 nan 0.000 0.503 112 V N 2.074 121.875 119.914 -0.188 0.000 2.834 112 V HA 0.429 4.549 4.120 -0.000 0.000 0.301 112 V C 0.728 176.748 176.094 -0.123 0.000 1.066 112 V CA -0.327 61.813 62.300 -0.266 0.000 1.052 112 V CB 1.504 33.024 31.823 -0.505 0.000 1.021 112 V HN 0.321 nan 8.190 nan 0.000 0.480 113 K N 2.579 122.881 120.400 -0.164 0.000 2.205 113 K HA 0.548 4.868 4.320 -0.000 0.000 0.279 113 K C -0.195 176.288 176.600 -0.195 0.000 1.027 113 K CA -0.175 56.049 56.287 -0.105 0.000 0.932 113 K CB 1.304 33.752 32.500 -0.088 0.000 1.032 113 K HN 0.847 nan 8.250 nan 0.000 0.466 114 S N 0.675 116.250 115.700 -0.208 0.000 2.542 114 S HA 0.512 4.981 4.470 -0.000 0.000 0.293 114 S C -0.258 174.359 174.600 0.027 0.000 1.089 114 S CA -0.990 57.066 58.200 -0.240 0.000 0.961 114 S CB 0.995 63.831 63.200 -0.606 0.000 1.062 114 S HN 0.618 nan 8.310 nan 0.000 0.483 115 c N 2.278 120.864 118.600 -0.024 0.000 2.365 115 c HA 0.733 5.303 4.570 -0.000 0.000 0.349 115 c C -0.044 174.228 174.090 0.303 0.000 1.191 115 c CA -0.465 55.925 56.329 0.102 0.000 2.114 115 c CB -0.080 42.370 42.510 -0.100 0.000 2.367 115 c HN 0.937 nan 8.230 nan 0.000 0.530 116 H N 0.027 119.221 119.070 0.207 0.000 2.954 116 H HA 0.180 4.736 4.556 -0.000 0.000 0.361 116 H C 0.477 175.915 175.328 0.184 0.000 1.122 116 H CA 0.016 56.242 56.048 0.296 0.000 1.217 116 H CB 1.985 31.976 29.762 0.382 0.000 1.776 116 H HN 0.761 nan 8.280 nan 0.000 0.533 117 T N 0.372 115.059 114.554 0.222 0.000 2.746 117 T HA 0.107 4.457 4.350 -0.000 0.000 0.267 117 T C 1.047 175.731 174.700 -0.027 0.000 1.039 117 T CA 0.891 62.989 62.100 -0.003 0.000 1.142 117 T CB 0.224 68.998 68.868 -0.157 0.000 0.866 117 T HN 0.749 nan 8.240 nan 0.000 0.444 118 G N 0.241 109.107 108.800 0.109 0.000 2.368 118 G HA2 0.448 4.408 3.960 -0.000 0.000 0.293 118 G HA3 0.448 4.408 3.960 -0.000 0.000 0.293 118 G C -2.044 172.921 174.900 0.108 0.000 1.467 118 G CA -0.850 44.346 45.100 0.159 0.000 0.804 118 G HN 0.410 nan 8.290 nan 0.000 0.535 119 L N 1.425 122.670 121.223 0.036 0.000 2.361 119 L HA 0.558 4.898 4.340 -0.000 0.000 0.278 119 L C 1.474 178.349 176.870 0.009 0.000 1.113 119 L CA 1.975 56.692 54.840 -0.205 0.000 0.849 119 L CB 0.560 42.460 42.059 -0.266 0.000 1.155 119 L HN 2.194 nan 8.230 nan 0.000 0.452 120 G N 3.681 112.412 108.800 -0.115 0.000 2.225 120 G HA2 -0.268 3.692 3.960 -0.000 0.000 0.254 120 G HA3 -0.268 3.692 3.960 -0.000 0.000 0.254 120 G C 0.699 175.737 174.900 0.228 0.000 0.988 120 G CA 0.321 45.531 45.100 0.184 0.000 0.625 120 G HN 0.648 nan 8.290 nan 0.000 0.527 121 R N 0.977 121.593 120.500 0.192 0.000 2.615 121 R HA 0.570 4.910 4.340 -0.000 0.000 0.270 121 R C 1.758 178.223 176.300 0.275 0.000 1.081 121 R CA 0.125 56.324 56.100 0.164 0.000 1.154 121 R CB 0.522 30.855 30.300 0.055 0.000 1.063 121 R HN 0.224 nan 8.270 nan 0.000 0.519 122 S N 1.572 117.444 115.700 0.288 0.000 2.426 122 S HA -0.288 4.182 4.470 -0.000 0.000 0.220 122 S C 2.089 176.858 174.600 0.283 0.000 1.040 122 S CA 1.497 59.891 58.200 0.323 0.000 1.094 122 S CB -0.590 62.780 63.200 0.284 0.000 1.072 122 S HN 0.774 nan 8.310 nan 0.000 0.415 123 A N 1.524 124.551 122.820 0.344 0.000 1.903 123 A HA -0.053 4.267 4.320 -0.000 0.000 0.219 123 A C 2.327 180.099 177.584 0.313 0.000 1.191 123 A CA 2.091 54.347 52.037 0.365 0.000 0.638 123 A CB -1.510 17.826 19.000 0.560 0.000 0.823 123 A HN 0.596 nan 8.150 nan 0.000 0.451 124 G N -3.438 105.544 108.800 0.304 0.000 2.539 124 G HA2 0.036 3.996 3.960 -0.000 0.000 0.215 124 G HA3 0.036 3.996 3.960 -0.000 0.000 0.215 124 G C 1.298 176.379 174.900 0.303 0.000 1.141 124 G CA 0.835 46.119 45.100 0.307 0.000 0.806 124 G HN 0.639 nan 8.290 nan 0.000 0.533 125 W N -0.030 121.324 121.300 0.090 0.000 4.366 125 W HA 0.098 4.758 4.660 -0.001 0.000 0.201 125 W C 1.723 178.237 176.519 -0.008 0.000 0.994 125 W CA 0.141 57.531 57.345 0.075 0.000 2.324 125 W CB -0.311 29.232 29.460 0.138 0.000 1.011 125 W HN 0.083 nan 8.180 nan 0.000 0.846 126 N N 1.544 120.359 118.700 0.191 0.000 2.049 126 N HA -0.233 4.507 4.740 -0.000 0.000 0.198 126 N C 1.484 176.916 175.510 -0.130 0.000 1.030 126 N CA 2.754 55.810 53.050 0.011 0.000 0.870 126 N CB -0.742 37.802 38.487 0.095 0.000 1.045 126 N HN 0.057 nan 8.380 nan 0.000 0.434 127 I N 1.215 121.762 120.570 -0.038 0.000 2.141 127 I HA -0.104 4.065 4.170 -0.000 0.000 0.236 127 I C -0.714 175.309 176.117 -0.157 0.000 1.071 127 I CA 1.003 62.269 61.300 -0.056 0.000 1.345 127 I CB -2.467 35.569 38.000 0.061 0.000 1.066 127 I HN 0.104 nan 8.210 nan 0.000 0.406 128 P HA -0.208 nan 4.420 nan 0.000 0.212 128 P C 1.956 178.987 177.300 -0.449 0.000 1.174 128 P CA 1.953 64.800 63.100 -0.422 0.000 0.934 128 P CB -0.197 30.936 31.700 -0.946 0.000 0.791 129 I N -0.297 119.891 120.570 -0.637 0.000 2.236 129 I HA -0.194 3.975 4.170 -0.000 0.000 0.249 129 I C 2.728 178.576 176.117 -0.449 0.000 1.102 129 I CA 2.228 63.117 61.300 -0.686 0.000 1.365 129 I CB -2.365 34.933 38.000 -1.169 0.000 1.051 129 I HN 0.105 nan 8.210 nan 0.000 0.420 130 G N 0.129 108.720 108.800 -0.348 0.000 2.422 130 G HA2 -0.188 3.771 3.960 -0.000 0.000 0.218 130 G HA3 -0.188 3.771 3.960 -0.000 0.000 0.218 130 G C 1.698 176.511 174.900 -0.145 0.000 1.140 130 G CA 1.151 46.124 45.100 -0.211 0.000 0.775 130 G HN 0.322 nan 8.290 nan 0.000 0.545 131 T N 1.567 116.036 114.554 -0.140 0.000 2.643 131 T HA -0.040 4.310 4.350 -0.000 0.000 0.264 131 T C 2.236 176.917 174.700 -0.032 0.000 1.045 131 T CA 0.843 62.906 62.100 -0.061 0.000 1.155 131 T CB -0.270 68.579 68.868 -0.031 0.000 0.863 131 T HN 0.142 nan 8.240 nan 0.000 0.420 132 L N 1.285 122.450 121.223 -0.097 0.000 2.622 132 L HA 0.101 4.440 4.340 -0.000 0.000 0.233 132 L C 2.585 179.374 176.870 -0.134 0.000 1.156 132 L CA 0.362 55.146 54.840 -0.093 0.000 0.866 132 L CB -0.664 41.203 42.059 -0.319 0.000 0.980 132 L HN 0.228 nan 8.230 nan 0.000 0.448 133 R N 1.686 122.103 120.500 -0.139 0.000 2.119 133 R HA -0.189 4.151 4.340 -0.000 0.000 0.246 133 R C -0.558 175.723 176.300 -0.031 0.000 1.146 133 R CA 1.778 57.823 56.100 -0.092 0.000 0.962 133 R CB -1.078 29.213 30.300 -0.014 0.000 0.863 133 R HN 0.236 nan 8.270 nan 0.000 0.442 134 P HA -0.123 nan 4.420 nan 0.000 0.226 134 P C -0.278 176.892 177.300 -0.218 0.000 1.146 134 P CA 1.220 64.224 63.100 -0.160 0.000 0.773 134 P CB 0.003 31.542 31.700 -0.268 0.000 0.772 135 Y N -2.914 117.313 120.300 -0.123 0.000 2.612 135 Y HA 0.263 4.813 4.550 -0.000 0.000 0.250 135 Y C 1.715 177.538 175.900 -0.128 0.000 1.175 135 Y CA -0.261 57.792 58.100 -0.078 0.000 1.205 135 Y CB -0.561 37.897 38.460 -0.003 0.000 1.201 135 Y HN -0.136 nan 8.280 nan 0.000 0.532 136 L N 0.059 121.260 121.223 -0.037 0.000 2.131 136 L HA -0.090 4.249 4.340 -0.000 0.000 0.206 136 L C -0.035 176.908 176.870 0.122 0.000 1.087 136 L CA 0.868 55.679 54.840 -0.049 0.000 0.767 136 L CB -0.421 41.589 42.059 -0.082 0.000 0.917 136 L HN 0.333 nan 8.230 nan 0.000 0.441 137 N N -0.853 117.932 118.700 0.142 0.000 2.568 137 N HA -0.245 4.495 4.740 -0.000 0.000 0.277 137 N C -1.073 174.573 175.510 0.227 0.000 1.200 137 N CA 0.609 53.741 53.050 0.136 0.000 0.702 137 N CB -1.027 37.527 38.487 0.111 0.000 0.889 137 N HN 0.524 nan 8.380 nan 0.000 0.546 138 W N 2.705 123.986 121.300 -0.032 0.000 2.740 138 W HA 0.452 5.112 4.660 -0.000 0.000 0.316 138 W C 0.724 177.227 176.519 -0.027 0.000 1.020 138 W CA -0.609 56.718 57.345 -0.029 0.000 1.278 138 W CB 0.297 29.729 29.460 -0.047 0.000 1.224 138 W HN 0.162 nan 8.180 nan 0.000 0.393 139 T N 3.291 117.661 114.554 -0.307 0.000 2.918 139 T HA -0.060 4.290 4.350 -0.000 0.000 0.249 139 T C 1.031 175.335 174.700 -0.659 0.000 1.040 139 T CA 3.068 64.941 62.100 -0.378 0.000 1.160 139 T CB -0.947 67.793 68.868 -0.213 0.000 0.819 139 T HN 1.602 nan 8.240 nan 0.000 0.495 140 G N -0.493 107.493 108.800 -1.357 0.000 2.384 140 G HA2 0.047 4.006 3.960 -0.000 0.000 0.668 140 G HA3 0.047 4.006 3.960 -0.000 0.000 0.668 140 G C -2.244 172.225 174.900 -0.718 0.000 1.280 140 G CA -0.393 43.841 45.100 -1.443 0.000 0.992 140 G HN 0.016 nan 8.290 nan 0.000 0.512 141 P HA -0.260 nan 4.420 nan 0.000 0.236 141 P C -1.103 176.231 177.300 0.057 0.000 1.136 141 P CA 2.955 66.077 63.100 0.037 0.000 0.948 141 P CB -0.966 30.735 31.700 0.001 0.000 0.766 142 P HA -0.093 nan 4.420 nan 0.000 0.216 142 P C 0.758 178.097 177.300 0.065 0.000 1.153 142 P CA 1.141 64.246 63.100 0.009 0.000 0.848 142 P CB -0.184 31.494 31.700 -0.036 0.000 0.787 143 E N 0.266 120.513 120.200 0.079 0.000 2.200 143 E HA 0.190 4.540 4.350 -0.000 0.000 0.283 143 E C -2.376 174.446 176.600 0.371 0.000 1.015 143 E CA -2.907 53.603 56.400 0.184 0.000 0.819 143 E CB 0.618 30.413 29.700 0.159 0.000 1.081 143 E HN -0.043 nan 8.360 nan 0.000 0.397 144 P HA -0.119 nan 4.420 nan 0.000 0.260 144 P C 0.386 177.698 177.300 0.021 0.000 1.172 144 P CA 0.052 63.236 63.100 0.140 0.000 0.760 144 P CB 0.441 32.168 31.700 0.046 0.000 0.773 145 L N 4.669 125.846 121.223 -0.076 0.000 2.265 145 L HA -0.182 4.157 4.340 -0.000 0.000 0.215 145 L C 2.005 178.651 176.870 -0.374 0.000 1.117 145 L CA 1.739 56.254 54.840 -0.543 0.000 0.782 145 L CB -0.937 40.814 42.059 -0.514 0.000 0.914 145 L HN 0.382 nan 8.230 nan 0.000 0.441 146 Q N -0.223 119.375 119.800 -0.337 0.000 2.030 146 Q HA -0.277 4.063 4.340 -0.000 0.000 0.204 146 Q C 2.062 177.735 176.000 -0.546 0.000 0.986 146 Q CA 2.155 57.661 55.803 -0.495 0.000 0.843 146 Q CB -0.315 27.879 28.738 -0.906 0.000 0.904 146 Q HN 0.569 nan 8.270 nan 0.000 0.420 147 K N 0.686 120.709 120.400 -0.629 0.000 2.152 147 K HA -0.140 4.179 4.320 -0.000 0.000 0.206 147 K C 2.066 178.595 176.600 -0.118 0.000 1.048 147 K CA 1.052 57.183 56.287 -0.260 0.000 0.933 147 K CB -0.273 32.196 32.500 -0.053 0.000 0.721 147 K HN 0.160 nan 8.250 nan 0.000 0.447 148 A N 1.439 124.143 122.820 -0.193 0.000 1.830 148 A HA -0.166 4.153 4.320 -0.000 0.000 0.214 148 A C 2.365 179.869 177.584 -0.134 0.000 1.218 148 A CA 1.770 53.697 52.037 -0.184 0.000 0.628 148 A CB -1.124 17.575 19.000 -0.501 0.000 0.860 148 A HN 0.032 nan 8.150 nan 0.000 0.454 149 V N 0.324 120.119 119.914 -0.199 0.000 2.363 149 V HA -0.367 3.753 4.120 -0.000 0.000 0.254 149 V C 3.021 179.111 176.094 -0.008 0.000 1.074 149 V CA 2.423 64.643 62.300 -0.132 0.000 1.069 149 V CB -1.648 30.184 31.823 0.014 0.000 0.659 149 V HN 0.719 nan 8.190 nan 0.000 0.455 150 A N 0.893 123.718 122.820 0.009 0.000 1.884 150 A HA -0.278 4.041 4.320 -0.000 0.000 0.219 150 A C 1.909 179.531 177.584 0.062 0.000 1.197 150 A CA 2.414 54.490 52.037 0.066 0.000 0.637 150 A CB -0.665 18.369 19.000 0.055 0.000 0.827 150 A HN 0.664 nan 8.150 nan 0.000 0.450 151 N N -1.715 117.004 118.700 0.032 0.000 2.398 151 N HA 0.032 4.771 4.740 -0.000 0.000 0.188 151 N C 1.023 176.524 175.510 -0.015 0.000 1.122 151 N CA 0.491 53.558 53.050 0.028 0.000 0.866 151 N CB -0.232 38.282 38.487 0.046 0.000 0.970 151 N HN 0.543 nan 8.380 nan 0.000 0.462 152 F N 0.800 120.610 119.950 -0.234 0.000 2.270 152 F HA 0.192 4.719 4.527 -0.001 0.000 0.295 152 F C -0.124 175.435 175.800 -0.401 0.000 1.087 152 F CA 0.260 58.015 58.000 -0.409 0.000 1.365 152 F CB 0.153 38.723 39.000 -0.718 0.000 1.056 152 F HN -0.273 nan 8.300 nan 0.000 0.506 153 F N 0.395 120.300 119.950 -0.074 0.000 2.458 153 F HA 0.272 4.799 4.527 -0.000 0.000 0.336 153 F C 1.625 177.389 175.800 -0.060 0.000 1.114 153 F CA -1.260 56.680 58.000 -0.101 0.000 0.987 153 F CB 0.901 39.952 39.000 0.085 0.000 1.130 153 F HN -0.131 nan 8.300 nan 0.000 0.458 154 S N 1.475 117.228 115.700 0.088 0.000 2.421 154 S HA 0.006 4.476 4.470 -0.000 0.000 0.239 154 S C 0.704 175.343 174.600 0.065 0.000 1.054 154 S CA 1.019 59.240 58.200 0.035 0.000 1.035 154 S CB -0.482 62.715 63.200 -0.004 0.000 0.840 154 S HN 1.212 nan 8.310 nan 0.000 0.475 155 A N -1.601 121.286 122.820 0.113 0.000 2.437 155 A HA 0.647 4.967 4.320 -0.000 0.000 0.296 155 A C -0.481 177.182 177.584 0.131 0.000 0.974 155 A CA -0.201 51.902 52.037 0.111 0.000 0.592 155 A CB -0.069 18.971 19.000 0.068 0.000 1.405 155 A HN 0.555 nan 8.150 nan 0.000 0.478 156 S N -2.090 113.684 115.700 0.123 0.000 2.694 156 S HA 0.554 5.023 4.470 -0.000 0.000 0.273 156 S C -1.402 173.269 174.600 0.118 0.000 1.180 156 S CA 0.233 58.505 58.200 0.121 0.000 0.864 156 S CB 1.226 64.534 63.200 0.179 0.000 1.198 156 S HN 2.019 nan 8.310 nan 0.000 0.499 157 c N 2.958 121.643 118.600 0.141 0.000 3.003 157 c HA 0.701 5.271 4.570 -0.000 0.000 0.241 157 c C -0.773 173.425 174.090 0.180 0.000 1.224 157 c CA -0.098 56.331 56.329 0.167 0.000 1.560 157 c CB -1.719 40.901 42.510 0.184 0.000 1.768 157 c HN 0.531 nan 8.230 nan 0.000 0.440 158 V N 7.144 127.123 119.914 0.109 0.000 2.348 158 V HA 0.326 4.446 4.120 -0.000 0.000 0.270 158 V C -2.062 174.078 176.094 0.078 0.000 1.037 158 V CA -1.268 61.068 62.300 0.060 0.000 0.872 158 V CB 1.402 33.160 31.823 -0.109 0.000 1.002 158 V HN 0.617 nan 8.190 nan 0.000 0.464 159 P HA 0.255 nan 4.420 nan 0.000 0.271 159 P C 0.516 177.889 177.300 0.122 0.000 1.216 159 P CA -0.050 63.179 63.100 0.215 0.000 0.771 159 P CB 0.363 32.353 31.700 0.482 0.000 0.864 160 c N 1.015 119.654 118.600 0.065 0.000 4.933 160 c HA -0.129 4.441 4.570 -0.000 0.000 0.249 160 c C 1.243 175.285 174.090 -0.080 0.000 1.406 160 c CA 0.001 56.326 56.329 -0.007 0.000 1.505 160 c CB -2.817 39.728 42.510 0.058 0.000 1.870 160 c HN 0.781 nan 8.230 nan 0.000 0.651 161 A N 0.774 123.557 122.820 -0.061 0.000 2.448 161 A HA 0.425 4.745 4.320 -0.000 0.000 0.239 161 A C 0.501 178.075 177.584 -0.016 0.000 1.080 161 A CA 1.143 53.140 52.037 -0.067 0.000 0.779 161 A CB 0.144 19.122 19.000 -0.038 0.000 1.026 161 A HN 0.556 nan 8.150 nan 0.000 0.499 162 D N 1.348 121.779 120.400 0.051 0.000 2.767 162 D HA 0.299 4.939 4.640 -0.000 0.000 0.241 162 D C 1.332 177.646 176.300 0.024 0.000 1.187 162 D CA 0.397 54.422 54.000 0.042 0.000 0.999 162 D CB -0.373 40.483 40.800 0.095 0.000 1.042 162 D HN 0.518 nan 8.370 nan 0.000 0.510 163 G N 1.708 110.514 108.800 0.010 0.000 2.535 163 G HA2 -0.238 3.721 3.960 -0.000 0.000 0.218 163 G HA3 -0.238 3.721 3.960 -0.000 0.000 0.218 163 G C 1.487 176.348 174.900 -0.064 0.000 1.122 163 G CA 0.379 45.481 45.100 0.003 0.000 0.769 163 G HN 0.356 nan 8.290 nan 0.000 0.549 164 K N -0.280 120.055 120.400 -0.107 0.000 1.984 164 K HA -0.038 4.282 4.320 -0.000 0.000 0.209 164 K C 2.574 179.040 176.600 -0.223 0.000 1.046 164 K CA 1.123 57.334 56.287 -0.127 0.000 0.934 164 K CB -0.169 32.262 32.500 -0.115 0.000 0.717 164 K HN 0.266 nan 8.250 nan 0.000 0.438 165 Q N -0.482 119.064 119.800 -0.422 0.000 2.172 165 Q HA -0.101 4.239 4.340 -0.000 0.000 0.200 165 Q C 0.052 175.545 176.000 -0.844 0.000 0.964 165 Q CA 1.192 56.536 55.803 -0.766 0.000 0.855 165 Q CB 0.345 28.312 28.738 -1.286 0.000 0.918 165 Q HN 0.366 nan 8.270 nan 0.000 0.444 166 Y N -1.133 119.167 120.300 0.000 0.000 2.517 166 Y HA 0.246 4.795 4.550 -0.000 0.000 0.330 166 Y C -1.857 174.049 175.900 0.011 0.000 0.917 166 Y CA -2.420 55.686 58.100 0.009 0.000 1.131 166 Y CB 0.245 38.710 38.460 0.008 0.000 1.175 166 Y HN 0.075 nan 8.280 nan 0.000 0.620 167 P HA -0.315 nan 4.420 nan 0.000 0.219 167 P C 1.165 178.511 177.300 0.076 0.000 1.151 167 P CA 1.910 65.036 63.100 0.042 0.000 0.850 167 P CB 0.525 32.233 31.700 0.013 0.000 0.784 168 N N -0.100 118.660 118.700 0.099 0.000 2.205 168 N HA -0.125 4.615 4.740 -0.000 0.000 0.186 168 N C 1.729 177.310 175.510 0.119 0.000 1.015 168 N CA 0.805 53.918 53.050 0.105 0.000 0.862 168 N CB -0.759 37.797 38.487 0.115 0.000 0.986 168 N HN 0.114 nan 8.380 nan 0.000 0.429 169 L N -0.812 120.490 121.223 0.130 0.000 2.622 169 L HA -0.000 4.340 4.340 -0.000 0.000 0.233 169 L C 0.468 177.387 176.870 0.082 0.000 1.156 169 L CA 0.141 55.045 54.840 0.107 0.000 0.866 169 L CB -0.107 42.007 42.059 0.093 0.000 0.980 169 L HN 0.430 nan 8.230 nan 0.000 0.448 170 c N -2.667 115.985 118.600 0.086 0.000 4.015 170 c HA 0.108 4.678 4.570 -0.000 0.000 0.323 170 c C 2.322 176.465 174.090 0.088 0.000 1.724 170 c CA -0.816 55.564 56.329 0.084 0.000 1.828 170 c CB -0.115 42.431 42.510 0.061 0.000 3.083 170 c HN 0.444 nan 8.230 nan 0.000 0.640 171 R N 1.858 122.408 120.500 0.084 0.000 2.112 171 R HA -0.123 4.216 4.340 -0.000 0.000 0.242 171 R C 1.736 178.090 176.300 0.091 0.000 1.137 171 R CA 1.877 58.022 56.100 0.075 0.000 0.944 171 R CB -0.351 29.991 30.300 0.070 0.000 0.857 171 R HN 0.508 nan 8.270 nan 0.000 0.435 172 L N 0.362 121.648 121.223 0.105 0.000 2.456 172 L HA -0.047 4.293 4.340 -0.000 0.000 0.224 172 L C 0.605 177.620 176.870 0.241 0.000 1.148 172 L CA -0.095 54.821 54.840 0.127 0.000 0.825 172 L CB -0.363 41.738 42.059 0.071 0.000 0.937 172 L HN 0.292 nan 8.230 nan 0.000 0.450 173 c N 2.169 120.906 118.600 0.229 0.000 2.657 173 c HA 0.347 4.917 4.570 -0.000 0.000 0.404 173 c C 1.206 175.401 174.090 0.175 0.000 1.369 173 c CA -1.078 55.422 56.329 0.285 0.000 1.665 173 c CB -0.697 41.920 42.510 0.179 0.000 2.453 173 c HN 0.403 nan 8.230 nan 0.000 0.599 174 A N 3.965 126.854 122.820 0.114 0.000 2.316 174 A HA 0.702 5.022 4.320 -0.000 0.000 0.311 174 A C 0.484 177.958 177.584 -0.183 0.000 1.339 174 A CA 0.116 52.111 52.037 -0.070 0.000 0.960 174 A CB -0.006 18.887 19.000 -0.179 0.000 1.152 174 A HN 1.194 nan 8.150 nan 0.000 0.547 175 G N 1.289 110.040 108.800 -0.081 0.000 2.703 175 G HA2 0.556 4.516 3.960 -0.000 0.000 0.294 175 G HA3 0.556 4.516 3.960 -0.000 0.000 0.294 175 G C -0.018 174.855 174.900 -0.045 0.000 1.451 175 G CA 0.194 45.248 45.100 -0.075 0.000 0.869 175 G HN 1.039 nan 8.290 nan 0.000 0.516 176 T N -0.638 113.890 114.554 -0.044 0.000 3.783 176 T HA 0.124 4.474 4.350 -0.000 0.000 0.438 176 T C 1.475 176.162 174.700 -0.023 0.000 1.119 176 T CA 0.995 63.076 62.100 -0.031 0.000 1.099 176 T CB 0.164 69.013 68.868 -0.031 0.000 1.429 176 T HN 0.502 nan 8.240 nan 0.000 0.503 177 E N 1.457 121.645 120.200 -0.020 0.000 1.983 177 E HA -0.150 4.199 4.350 -0.000 0.000 0.208 177 E C 2.394 178.982 176.600 -0.020 0.000 1.006 177 E CA 1.672 58.062 56.400 -0.017 0.000 0.872 177 E CB -1.272 28.418 29.700 -0.017 0.000 0.806 177 E HN 0.809 nan 8.360 nan 0.000 0.510 178 A N 0.967 123.773 122.820 -0.024 0.000 2.218 178 A HA -0.053 4.267 4.320 -0.000 0.000 0.209 178 A C 1.536 179.099 177.584 -0.035 0.000 1.168 178 A CA 0.625 52.645 52.037 -0.028 0.000 0.804 178 A CB -0.077 18.906 19.000 -0.028 0.000 0.834 178 A HN 0.065 nan 8.150 nan 0.000 0.482 179 D N 0.400 120.778 120.400 -0.037 0.000 2.219 179 D HA -0.050 4.590 4.640 -0.000 0.000 0.205 179 D C 0.851 177.125 176.300 -0.043 0.000 0.970 179 D CA 0.592 54.563 54.000 -0.048 0.000 0.851 179 D CB -0.136 40.635 40.800 -0.050 0.000 0.943 179 D HN 0.358 nan 8.370 nan 0.000 0.488 180 K N 0.208 120.590 120.400 -0.029 0.000 2.569 180 K HA -0.150 4.170 4.320 -0.000 0.000 0.280 180 K C 0.743 177.340 176.600 -0.005 0.000 0.984 180 K CA 0.233 56.512 56.287 -0.012 0.000 1.064 180 K CB 0.255 32.754 32.500 -0.003 0.000 0.866 180 K HN 0.261 nan 8.250 nan 0.000 0.492 181 c N 2.413 121.027 118.600 0.023 0.000 4.135 181 c HA -0.276 4.294 4.570 -0.000 0.000 0.289 181 c C 0.766 174.857 174.090 0.001 0.000 1.517 181 c CA 0.475 56.827 56.329 0.038 0.000 2.043 181 c CB -2.337 40.193 42.510 0.033 0.000 1.362 181 c HN 0.838 nan 8.230 nan 0.000 0.789 182 A N -0.443 122.353 122.820 -0.040 0.000 2.448 182 A HA 0.363 4.683 4.320 -0.000 0.000 0.239 182 A C 0.936 178.429 177.584 -0.151 0.000 1.080 182 A CA 0.678 52.660 52.037 -0.093 0.000 0.779 182 A CB 0.069 18.997 19.000 -0.120 0.000 1.026 182 A HN 1.626 nan 8.150 nan 0.000 0.499 183 c N 2.445 120.933 118.600 -0.187 0.000 2.285 183 c HA 0.575 5.144 4.570 -0.000 0.000 0.361 183 c C 0.963 174.608 174.090 -0.741 0.000 1.361 183 c CA 0.351 56.533 56.329 -0.245 0.000 1.775 183 c CB -3.046 39.459 42.510 -0.010 0.000 2.409 183 c HN 1.051 nan 8.230 nan 0.000 0.572 184 S N -0.578 114.433 115.700 -1.149 0.000 2.790 184 S HA 0.393 4.862 4.470 -0.000 0.000 0.292 184 S C 0.502 174.461 174.600 -1.067 0.000 1.197 184 S CA 0.377 57.791 58.200 -1.309 0.000 0.851 184 S CB 0.668 63.589 63.200 -0.464 0.000 1.217 184 S HN 0.702 nan 8.310 nan 0.000 0.526 185 S N 0.084 115.576 115.700 -0.347 0.000 2.803 185 S HA 0.050 4.520 4.470 -0.000 0.000 0.226 185 S C 0.879 175.452 174.600 -0.045 0.000 0.962 185 S CA 0.089 58.293 58.200 0.006 0.000 0.968 185 S CB -0.502 62.773 63.200 0.124 0.000 0.786 185 S HN 0.549 nan 8.310 nan 0.000 0.527 186 Q N 0.926 120.642 119.800 -0.141 0.000 2.354 186 Q HA 0.199 4.538 4.340 -0.000 0.000 0.203 186 Q C 0.396 176.345 176.000 -0.085 0.000 0.933 186 Q CA 0.682 56.427 55.803 -0.097 0.000 0.901 186 Q CB -0.056 28.616 28.738 -0.111 0.000 1.007 186 Q HN 0.764 nan 8.270 nan 0.000 0.495 187 E N 1.164 121.306 120.200 -0.096 0.000 2.081 187 E HA 0.187 4.537 4.350 -0.000 0.000 0.276 187 E C -2.140 174.495 176.600 0.058 0.000 0.950 187 E CA -2.368 54.015 56.400 -0.028 0.000 0.776 187 E CB 1.501 31.206 29.700 0.009 0.000 1.094 187 E HN -0.182 nan 8.360 nan 0.000 0.402 188 P HA -0.174 nan 4.420 nan 0.000 0.217 188 P C 0.068 177.416 177.300 0.080 0.000 1.148 188 P CA 1.237 64.285 63.100 -0.087 0.000 0.834 188 P CB 0.045 31.514 31.700 -0.384 0.000 0.783 189 Y N -3.059 117.332 120.300 0.152 0.000 2.466 189 Y HA 0.234 4.783 4.550 -0.001 0.000 0.272 189 Y C 0.947 176.969 175.900 0.203 0.000 1.169 189 Y CA -1.492 56.699 58.100 0.151 0.000 1.285 189 Y CB -1.234 37.297 38.460 0.119 0.000 1.078 189 Y HN -0.087 nan 8.280 nan 0.000 0.523 190 F N 1.257 121.316 119.950 0.181 0.000 2.471 190 F HA 0.473 4.999 4.527 -0.000 0.000 0.353 190 F C 0.884 176.744 175.800 0.101 0.000 1.113 190 F CA 0.588 58.662 58.000 0.123 0.000 1.262 190 F CB 0.291 39.339 39.000 0.079 0.000 1.146 190 F HN 0.232 nan 8.300 nan 0.000 0.578 191 G N 4.416 112.790 108.800 -0.710 0.000 2.733 191 G HA2 -0.317 3.643 3.960 -0.000 0.000 0.686 191 G HA3 -0.317 3.643 3.960 -0.000 0.000 0.686 191 G C -0.210 174.570 174.900 -0.200 0.000 1.373 191 G CA -0.267 44.456 45.100 -0.628 0.000 0.838 191 G HN 0.878 nan 8.290 nan 0.000 0.588 192 Y N 1.219 121.475 120.300 -0.073 0.000 2.002 192 Y HA -0.244 4.306 4.550 -0.000 0.000 0.268 192 Y C 3.399 179.324 175.900 0.042 0.000 1.177 192 Y CA 2.662 60.758 58.100 -0.007 0.000 1.111 192 Y CB -1.192 37.236 38.460 -0.053 0.000 0.952 192 Y HN 0.612 nan 8.280 nan 0.000 0.491 193 S N 0.007 115.842 115.700 0.226 0.000 2.377 193 S HA -0.281 4.189 4.470 -0.000 0.000 0.224 193 S C 2.474 177.209 174.600 0.225 0.000 1.042 193 S CA 1.398 59.710 58.200 0.187 0.000 1.086 193 S CB -1.452 61.832 63.200 0.141 0.000 0.995 193 S HN 0.709 nan 8.310 nan 0.000 0.428 194 G N 1.953 110.869 108.800 0.194 0.000 2.808 194 G HA2 -0.334 3.626 3.960 -0.000 0.000 0.225 194 G HA3 -0.334 3.626 3.960 -0.000 0.000 0.225 194 G C 1.605 176.653 174.900 0.248 0.000 1.210 194 G CA 1.862 47.118 45.100 0.259 0.000 0.777 194 G HN 0.698 nan 8.290 nan 0.000 0.640 195 A N -0.073 122.844 122.820 0.162 0.000 1.908 195 A HA 0.027 4.347 4.320 -0.000 0.000 0.218 195 A C 2.254 179.839 177.584 0.002 0.000 1.181 195 A CA 1.917 54.000 52.037 0.076 0.000 0.627 195 A CB -0.598 18.457 19.000 0.091 0.000 0.818 195 A HN 0.513 nan 8.150 nan 0.000 0.445 196 F N 0.556 120.494 119.950 -0.020 0.000 2.069 196 F HA -0.211 4.316 4.527 -0.000 0.000 0.298 196 F C 2.169 177.931 175.800 -0.064 0.000 1.113 196 F CA 2.392 60.346 58.000 -0.077 0.000 1.214 196 F CB -0.167 38.774 39.000 -0.099 0.000 0.978 196 F HN 0.075 nan 8.300 nan 0.000 0.474 197 K N 0.228 120.701 120.400 0.121 0.000 2.044 197 K HA -0.243 4.077 4.320 -0.000 0.000 0.210 197 K C 2.425 178.909 176.600 -0.194 0.000 1.049 197 K CA 1.498 57.837 56.287 0.086 0.000 0.927 197 K CB -1.456 31.235 32.500 0.317 0.000 0.713 197 K HN 0.532 nan 8.250 nan 0.000 0.443 198 c N 0.267 118.583 118.600 -0.474 0.000 2.397 198 c HA -0.101 4.469 4.570 -0.000 0.000 0.286 198 c C 2.275 176.063 174.090 -0.503 0.000 1.308 198 c CA 0.804 56.559 56.329 -0.955 0.000 1.805 198 c CB -0.992 40.994 42.510 -0.872 0.000 1.952 198 c HN 0.478 nan 8.230 nan 0.000 0.518 199 L N 0.695 121.659 121.223 -0.431 0.000 2.269 199 L HA 0.204 4.544 4.340 -0.000 0.000 0.200 199 L C 2.493 179.175 176.870 -0.313 0.000 1.069 199 L CA 2.170 56.786 54.840 -0.372 0.000 0.804 199 L CB -1.156 40.636 42.059 -0.447 0.000 0.987 199 L HN 0.418 nan 8.230 nan 0.000 0.468 200 E N -0.021 119.912 120.200 -0.445 0.000 2.086 200 E HA -0.293 4.057 4.350 -0.000 0.000 0.200 200 E C 1.420 177.990 176.600 -0.049 0.000 1.012 200 E CA 1.915 58.208 56.400 -0.179 0.000 0.812 200 E CB -0.230 29.411 29.700 -0.098 0.000 0.743 200 E HN 0.614 nan 8.360 nan 0.000 0.453 201 N N -0.818 117.849 118.700 -0.056 0.000 2.567 201 N HA -0.015 4.725 4.740 -0.000 0.000 0.195 201 N C 0.650 176.141 175.510 -0.033 0.000 1.242 201 N CA 0.185 53.235 53.050 -0.000 0.000 0.884 201 N CB 0.172 38.702 38.487 0.071 0.000 1.007 201 N HN 0.375 nan 8.380 nan 0.000 0.450 202 G N 0.537 109.293 108.800 -0.073 0.000 2.196 202 G HA2 -0.412 3.548 3.960 -0.000 0.000 0.268 202 G HA3 -0.412 3.548 3.960 -0.000 0.000 0.268 202 G C 1.065 175.917 174.900 -0.081 0.000 0.975 202 G CA 0.544 45.600 45.100 -0.072 0.000 0.648 202 G HN 0.471 nan 8.290 nan 0.000 0.538 203 A N -0.295 122.461 122.820 -0.108 0.000 1.877 203 A HA 0.461 4.781 4.320 -0.000 0.000 0.216 203 A C 1.894 179.407 177.584 -0.119 0.000 1.186 203 A CA 2.380 54.354 52.037 -0.106 0.000 0.620 203 A CB -0.416 18.473 19.000 -0.185 0.000 0.822 203 A HN 1.889 nan 8.150 nan 0.000 0.443 204 G N -2.374 106.326 108.800 -0.166 0.000 2.932 204 G HA2 0.479 4.438 3.960 -0.000 0.000 0.283 204 G HA3 0.479 4.438 3.960 -0.000 0.000 0.283 204 G C -0.642 174.175 174.900 -0.138 0.000 1.336 204 G CA 0.251 45.258 45.100 -0.156 0.000 1.056 204 G HN 0.133 nan 8.290 nan 0.000 0.522 205 D N -2.016 118.304 120.400 -0.132 0.000 2.489 205 D HA 0.260 4.899 4.640 -0.000 0.000 0.231 205 D C -0.097 176.223 176.300 0.034 0.000 1.114 205 D CA 0.132 54.107 54.000 -0.041 0.000 0.842 205 D CB 1.822 42.555 40.800 -0.111 0.000 1.133 205 D HN 0.284 nan 8.370 nan 0.000 0.506 206 V N 0.504 120.337 119.914 -0.136 0.000 2.711 206 V HA 0.744 4.864 4.120 -0.000 0.000 0.304 206 V C -1.695 174.059 176.094 -0.566 0.000 1.097 206 V CA -0.821 61.312 62.300 -0.278 0.000 0.906 206 V CB 1.477 33.179 31.823 -0.201 0.000 1.015 206 V HN 0.096 nan 8.190 nan 0.000 0.427 207 A N 6.263 128.751 122.820 -0.553 0.000 2.317 207 A HA 0.906 5.226 4.320 -0.000 0.000 0.327 207 A C -1.202 175.978 177.584 -0.673 0.000 1.178 207 A CA -0.389 51.347 52.037 -0.503 0.000 0.817 207 A CB 0.888 19.740 19.000 -0.247 0.000 1.189 207 A HN 0.773 nan 8.150 nan 0.000 0.489 208 F N 2.543 122.449 119.950 -0.073 0.000 2.332 208 F HA 0.506 5.032 4.527 -0.000 0.000 0.368 208 F C 0.588 176.445 175.800 0.095 0.000 1.110 208 F CA -0.263 57.725 58.000 -0.020 0.000 1.087 208 F CB 1.459 40.386 39.000 -0.121 0.000 1.235 208 F HN 0.556 nan 8.300 nan 0.000 0.470 209 V N -0.635 119.436 119.914 0.262 0.000 3.065 209 V HA 0.565 4.685 4.120 -0.000 0.000 0.312 209 V C -0.621 175.649 176.094 0.293 0.000 1.412 209 V CA -1.499 61.001 62.300 0.333 0.000 1.039 209 V CB 1.402 33.385 31.823 0.267 0.000 1.077 209 V HN 0.392 nan 8.190 nan 0.000 0.473 210 K N 0.809 121.312 120.400 0.172 0.000 2.295 210 K HA 0.175 4.495 4.320 -0.000 0.000 0.270 210 K C 0.818 177.338 176.600 -0.134 0.000 1.011 210 K CA 0.561 56.766 56.287 -0.138 0.000 0.953 210 K CB 0.907 32.767 32.500 -1.067 0.000 0.956 210 K HN 0.943 nan 8.250 nan 0.000 0.477 211 D N 0.606 120.930 120.400 -0.127 0.000 2.218 211 D HA -0.193 4.447 4.640 -0.000 0.000 0.204 211 D C 1.269 177.342 176.300 -0.377 0.000 0.976 211 D CA 1.518 55.338 54.000 -0.300 0.000 0.853 211 D CB 0.005 40.475 40.800 -0.549 0.000 0.939 211 D HN 0.416 nan 8.370 nan 0.000 0.481 212 S N -1.225 114.258 115.700 -0.362 0.000 2.503 212 S HA -0.021 4.449 4.470 -0.000 0.000 0.217 212 S C 1.743 176.266 174.600 -0.128 0.000 0.999 212 S CA 0.407 58.464 58.200 -0.238 0.000 0.914 212 S CB -0.653 62.339 63.200 -0.347 0.000 0.782 212 S HN 0.213 nan 8.310 nan 0.000 0.520 213 T N 3.199 117.603 114.554 -0.249 0.000 2.594 213 T HA -0.200 4.149 4.350 -0.000 0.000 0.266 213 T C 1.795 176.254 174.700 -0.401 0.000 1.070 213 T CA 1.955 63.892 62.100 -0.271 0.000 1.166 213 T CB -1.128 67.636 68.868 -0.173 0.000 0.862 213 T HN 0.279 nan 8.240 nan 0.000 0.436 214 V N 1.153 120.801 119.914 -0.444 0.000 2.214 214 V HA -0.205 3.915 4.120 -0.000 0.000 0.247 214 V C 2.240 177.969 176.094 -0.607 0.000 1.051 214 V CA 2.172 64.017 62.300 -0.759 0.000 1.003 214 V CB -0.962 30.481 31.823 -0.633 0.000 0.635 214 V HN 0.468 nan 8.190 nan 0.000 0.447 215 F N 0.215 119.983 119.950 -0.304 0.000 2.307 215 F HA -0.119 4.408 4.527 -0.000 0.000 0.301 215 F C 2.327 177.984 175.800 -0.239 0.000 1.076 215 F CA 1.189 59.056 58.000 -0.222 0.000 1.383 215 F CB -0.664 38.243 39.000 -0.155 0.000 1.055 215 F HN 0.254 nan 8.300 nan 0.000 0.526 216 E N -0.065 120.070 120.200 -0.109 0.000 2.478 216 E HA -0.075 4.275 4.350 -0.000 0.000 0.198 216 E C 0.948 177.438 176.600 -0.184 0.000 1.046 216 E CA 0.497 56.806 56.400 -0.153 0.000 0.870 216 E CB -0.160 29.424 29.700 -0.193 0.000 0.818 216 E HN 0.606 nan 8.360 nan 0.000 0.527 217 N N -0.555 117.979 118.700 -0.277 0.000 2.028 217 N HA 0.082 4.822 4.740 -0.000 0.000 0.230 217 N C -0.093 175.288 175.510 -0.216 0.000 1.354 217 N CA 0.017 52.922 53.050 -0.241 0.000 0.855 217 N CB 1.145 39.466 38.487 -0.276 0.000 1.111 217 N HN 0.004 nan 8.380 nan 0.000 0.480 218 L N 3.007 124.062 121.223 -0.279 0.000 2.314 218 L HA 0.351 4.690 4.340 -0.000 0.000 0.275 218 L C -1.820 174.988 176.870 -0.103 0.000 1.068 218 L CA -1.251 53.478 54.840 -0.185 0.000 0.894 218 L CB 1.216 43.119 42.059 -0.259 0.000 1.275 218 L HN -0.270 nan 8.230 nan 0.000 0.432 219 P HA -0.042 nan 4.420 nan 0.000 0.222 219 P C -0.175 177.126 177.300 0.003 0.000 1.153 219 P CA 0.893 63.984 63.100 -0.015 0.000 0.798 219 P CB 0.331 32.024 31.700 -0.012 0.000 0.796 220 D N -0.220 120.179 120.400 -0.002 0.000 2.373 220 D HA 0.029 4.669 4.640 -0.000 0.000 0.227 220 D C 1.002 177.309 176.300 0.011 0.000 1.091 220 D CA -0.163 53.843 54.000 0.011 0.000 0.840 220 D CB 0.982 41.790 40.800 0.013 0.000 1.060 220 D HN 0.118 nan 8.370 nan 0.000 0.502 221 E N 2.612 122.826 120.200 0.023 0.000 2.217 221 E HA -0.368 3.981 4.350 -0.000 0.000 0.219 221 E C 1.681 178.293 176.600 0.019 0.000 1.070 221 E CA 1.989 58.405 56.400 0.027 0.000 0.889 221 E CB 0.212 29.936 29.700 0.041 0.000 0.768 221 E HN 0.568 nan 8.360 nan 0.000 0.465 222 A N 1.202 124.034 122.820 0.020 0.000 1.859 222 A HA -0.303 4.017 4.320 -0.000 0.000 0.218 222 A C 1.998 179.601 177.584 0.031 0.000 1.209 222 A CA 2.112 54.162 52.037 0.020 0.000 0.639 222 A CB -0.805 18.205 19.000 0.017 0.000 0.835 222 A HN 0.381 nan 8.150 nan 0.000 0.450 223 E N -0.357 119.868 120.200 0.041 0.000 2.097 223 E HA -0.243 4.106 4.350 -0.000 0.000 0.196 223 E C 2.102 178.780 176.600 0.129 0.000 1.000 223 E CA 1.419 57.870 56.400 0.085 0.000 0.804 223 E CB -0.394 29.356 29.700 0.084 0.000 0.740 223 E HN 0.589 nan 8.360 nan 0.000 0.454 224 R N 0.601 121.128 120.500 0.045 0.000 2.241 224 R HA -0.120 4.219 4.340 -0.000 0.000 0.224 224 R C 1.203 177.532 176.300 0.048 0.000 1.101 224 R CA 0.943 57.041 56.100 -0.004 0.000 0.995 224 R CB -0.109 30.100 30.300 -0.151 0.000 0.870 224 R HN 0.117 nan 8.270 nan 0.000 0.463 225 D N 0.106 120.535 120.400 0.049 0.000 2.349 225 D HA -0.005 4.635 4.640 -0.000 0.000 0.215 225 D C 1.066 177.382 176.300 0.027 0.000 1.016 225 D CA 0.592 54.613 54.000 0.034 0.000 0.870 225 D CB 0.331 41.141 40.800 0.016 0.000 0.917 225 D HN 0.119 nan 8.370 nan 0.000 0.524 226 K N -0.643 119.779 120.400 0.038 0.000 2.365 226 K HA -0.024 4.296 4.320 -0.000 0.000 0.199 226 K C -0.116 176.351 176.600 -0.222 0.000 1.045 226 K CA 0.674 56.884 56.287 -0.127 0.000 0.962 226 K CB 0.234 32.584 32.500 -0.251 0.000 0.759 226 K HN 0.204 nan 8.250 nan 0.000 0.469 227 Y N 0.296 120.584 120.300 -0.020 0.000 2.659 227 Y HA 0.381 4.931 4.550 -0.001 0.000 0.333 227 Y C 0.137 176.014 175.900 -0.039 0.000 1.064 227 Y CA -1.230 56.857 58.100 -0.023 0.000 1.141 227 Y CB 1.607 40.083 38.460 0.028 0.000 1.316 227 Y HN -0.162 nan 8.280 nan 0.000 0.509 228 E N -0.189 120.091 120.200 0.133 0.000 2.421 228 E HA 0.631 4.981 4.350 -0.000 0.000 0.265 228 E C -1.895 174.720 176.600 0.025 0.000 0.990 228 E CA -1.025 55.402 56.400 0.044 0.000 0.874 228 E CB 2.172 31.866 29.700 -0.009 0.000 1.646 228 E HN 0.335 nan 8.360 nan 0.000 0.451 229 L N 1.716 122.946 121.223 0.012 0.000 2.343 229 L HA 0.401 4.741 4.340 -0.000 0.000 0.278 229 L C -0.731 176.130 176.870 -0.014 0.000 0.996 229 L CA -0.610 54.242 54.840 0.019 0.000 0.831 229 L CB 1.080 43.181 42.059 0.070 0.000 1.232 229 L HN 0.320 nan 8.230 nan 0.000 0.413 230 L N 3.400 124.605 121.223 -0.030 0.000 2.515 230 L HA 0.138 4.477 4.340 -0.000 0.000 0.281 230 L C -0.228 176.646 176.870 0.007 0.000 1.131 230 L CA -0.072 54.743 54.840 -0.042 0.000 0.905 230 L CB 0.269 42.309 42.059 -0.032 0.000 1.246 230 L HN 0.757 nan 8.230 nan 0.000 0.463 231 c N 5.608 124.204 118.600 -0.007 0.000 2.527 231 c HA 0.178 4.747 4.570 -0.000 0.000 0.396 231 c C -0.202 173.889 174.090 0.002 0.000 1.289 231 c CA -1.185 55.140 56.329 -0.007 0.000 2.047 231 c CB 0.600 43.095 42.510 -0.025 0.000 2.568 231 c HN 0.610 nan 8.230 nan 0.000 0.573 232 P HA -0.173 nan 4.420 nan 0.000 0.225 232 P C 0.550 177.864 177.300 0.022 0.000 1.141 232 P CA 1.739 64.851 63.100 0.020 0.000 0.774 232 P CB 0.038 31.737 31.700 -0.001 0.000 0.760 233 D N -2.232 118.171 120.400 0.006 0.000 2.360 233 D HA -0.020 4.620 4.640 -0.000 0.000 0.210 233 D C 0.567 176.880 176.300 0.021 0.000 1.047 233 D CA -0.208 53.799 54.000 0.011 0.000 0.854 233 D CB -0.667 40.129 40.800 -0.005 0.000 0.936 233 D HN 0.020 nan 8.370 nan 0.000 0.514 234 N N -0.535 118.176 118.700 0.019 0.000 3.198 234 N HA -0.102 4.638 4.740 -0.000 0.000 0.241 234 N C -0.529 174.979 175.510 -0.004 0.000 1.088 234 N CA 0.938 53.998 53.050 0.017 0.000 0.865 234 N CB -1.526 36.982 38.487 0.035 0.000 1.115 234 N HN 0.585 nan 8.380 nan 0.000 0.538 235 T N -2.234 112.310 114.554 -0.016 0.000 2.807 235 T HA 0.795 5.145 4.350 -0.000 0.000 0.277 235 T C -0.121 174.553 174.700 -0.042 0.000 1.006 235 T CA -0.663 61.422 62.100 -0.026 0.000 1.006 235 T CB 2.616 71.472 68.868 -0.020 0.000 1.274 235 T HN 0.166 nan 8.240 nan 0.000 0.569 236 R N 0.222 120.695 120.500 -0.045 0.000 2.621 236 R HA 0.676 5.016 4.340 -0.000 0.000 0.284 236 R C -0.920 175.361 176.300 -0.032 0.000 0.998 236 R CA -0.877 55.191 56.100 -0.054 0.000 0.895 236 R CB 2.433 32.683 30.300 -0.085 0.000 1.195 236 R HN 0.624 nan 8.270 nan 0.000 0.450 237 K N 1.429 121.819 120.400 -0.017 0.000 2.263 237 K HA 0.524 4.844 4.320 -0.000 0.000 0.249 237 K C -2.647 173.962 176.600 0.014 0.000 1.076 237 K CA -1.914 54.370 56.287 -0.004 0.000 0.884 237 K CB 1.835 34.332 32.500 -0.004 0.000 1.394 237 K HN 0.311 nan 8.250 nan 0.000 0.476 238 P HA -0.026 nan 4.420 nan 0.000 0.280 238 P C 1.029 178.382 177.300 0.088 0.000 1.244 238 P CA -0.263 62.864 63.100 0.045 0.000 0.784 238 P CB 1.053 32.778 31.700 0.041 0.000 0.913 239 V N 0.515 120.473 119.914 0.073 0.000 2.736 239 V HA -0.253 3.867 4.120 -0.000 0.000 0.262 239 V C 0.969 177.299 176.094 0.394 0.000 1.114 239 V CA 2.402 64.762 62.300 0.100 0.000 1.133 239 V CB -1.806 29.896 31.823 -0.203 0.000 0.703 239 V HN 0.590 nan 8.190 nan 0.000 0.495 240 D N 0.137 120.791 120.400 0.423 0.000 2.427 240 D HA 0.474 5.114 4.640 -0.000 0.000 0.224 240 D C 0.884 177.262 176.300 0.130 0.000 1.157 240 D CA 0.510 54.870 54.000 0.600 0.000 0.828 240 D CB 0.234 41.335 40.800 0.501 0.000 0.974 240 D HN 0.587 nan 8.370 nan 0.000 0.498 241 A N 0.176 123.054 122.820 0.097 0.000 2.701 241 A HA 0.318 4.638 4.320 -0.000 0.000 0.297 241 A C 0.891 178.424 177.584 -0.085 0.000 1.197 241 A CA -0.726 51.244 52.037 -0.111 0.000 0.963 241 A CB -1.073 17.901 19.000 -0.044 0.000 1.175 241 A HN 0.287 nan 8.150 nan 0.000 0.531 242 F N 0.237 120.192 119.950 0.008 0.000 2.154 242 F HA -0.195 4.331 4.527 -0.001 0.000 0.301 242 F C 1.784 177.503 175.800 -0.134 0.000 1.087 242 F CA 1.580 59.567 58.000 -0.022 0.000 1.274 242 F CB -0.773 38.217 39.000 -0.017 0.000 1.009 242 F HN 0.131 nan 8.300 nan 0.000 0.485 243 K N 0.404 120.472 120.400 -0.553 0.000 2.077 243 K HA -0.250 4.070 4.320 -0.000 0.000 0.213 243 K C 1.814 178.320 176.600 -0.157 0.000 1.051 243 K CA 2.449 58.406 56.287 -0.549 0.000 0.929 243 K CB -0.353 31.809 32.500 -0.563 0.000 0.715 243 K HN 0.388 nan 8.250 nan 0.000 0.451 244 E N -0.457 119.690 120.200 -0.089 0.000 2.127 244 E HA 0.012 4.361 4.350 -0.000 0.000 0.191 244 E C 0.282 176.831 176.600 -0.085 0.000 0.964 244 E CA 0.249 56.614 56.400 -0.058 0.000 0.832 244 E CB 0.133 29.790 29.700 -0.071 0.000 0.790 244 E HN 0.120 nan 8.360 nan 0.000 0.465 245 c N 3.564 122.170 118.600 0.009 0.000 2.322 245 c HA 0.387 4.957 4.570 -0.000 0.000 0.343 245 c C -0.916 173.261 174.090 0.146 0.000 1.190 245 c CA -0.156 56.181 56.329 0.014 0.000 1.704 245 c CB -1.825 40.714 42.510 0.048 0.000 2.293 245 c HN 0.445 nan 8.230 nan 0.000 0.523 246 H N 4.369 123.461 119.070 0.038 0.000 3.114 246 H HA 0.150 4.705 4.556 -0.000 0.000 0.325 246 H C -0.361 175.041 175.328 0.122 0.000 1.206 246 H CA -0.882 55.229 56.048 0.104 0.000 1.316 246 H CB 0.113 29.958 29.762 0.139 0.000 1.981 246 H HN 0.393 nan 8.280 nan 0.000 0.527 247 L N 0.917 122.275 121.223 0.224 0.000 2.056 247 L HA 0.177 4.517 4.340 -0.000 0.000 0.207 247 L C 1.221 178.203 176.870 0.187 0.000 1.078 247 L CA 2.006 56.940 54.840 0.156 0.000 0.749 247 L CB -0.381 41.780 42.059 0.170 0.000 0.901 247 L HN 0.803 nan 8.230 nan 0.000 0.433 248 A N -0.992 122.021 122.820 0.321 0.000 2.493 248 A HA 0.644 4.964 4.320 -0.000 0.000 0.300 248 A C -1.147 176.646 177.584 0.348 0.000 1.152 248 A CA -0.599 51.632 52.037 0.322 0.000 0.643 248 A CB 1.432 20.529 19.000 0.162 0.000 1.316 248 A HN 0.053 nan 8.150 nan 0.000 0.469 249 R N -0.493 120.078 120.500 0.118 0.000 2.670 249 R HA 0.715 5.055 4.340 -0.000 0.000 0.289 249 R C -1.519 174.641 176.300 -0.233 0.000 0.965 249 R CA -0.366 55.602 56.100 -0.221 0.000 0.899 249 R CB 1.971 32.065 30.300 -0.344 0.000 1.173 249 R HN 1.408 nan 8.270 nan 0.000 0.456 250 V N 0.951 120.588 119.914 -0.462 0.000 2.888 250 V HA 0.657 4.777 4.120 -0.000 0.000 0.309 250 V C -2.681 173.091 176.094 -0.535 0.000 1.114 250 V CA -2.401 59.597 62.300 -0.503 0.000 0.940 250 V CB 1.863 33.371 31.823 -0.525 0.000 1.021 250 V HN 0.753 nan 8.190 nan 0.000 0.426 251 P HA 0.113 nan 4.420 nan 0.000 0.268 251 P C 0.217 177.583 177.300 0.110 0.000 1.208 251 P CA 0.409 63.378 63.100 -0.219 0.000 0.777 251 P CB 0.602 32.032 31.700 -0.451 0.000 0.875 252 S N 1.486 117.328 115.700 0.237 0.000 2.580 252 S HA 0.072 4.542 4.470 -0.000 0.000 0.266 252 S C 0.438 175.372 174.600 0.555 0.000 1.354 252 S CA -0.363 58.061 58.200 0.374 0.000 1.008 252 S CB -0.367 62.849 63.200 0.027 0.000 0.898 252 S HN 0.464 nan 8.310 nan 0.000 0.555 253 H N 0.052 119.357 119.070 0.391 0.000 2.615 253 H HA 0.527 5.083 4.556 -0.000 0.000 0.363 253 H C 0.256 175.757 175.328 0.289 0.000 1.148 253 H CA -0.150 56.101 56.048 0.340 0.000 1.401 253 H CB 0.764 30.734 29.762 0.346 0.000 1.461 253 H HN 0.819 nan 8.280 nan 0.000 0.588 254 A N 2.150 125.160 122.820 0.317 0.000 2.539 254 A HA 0.419 4.739 4.320 -0.000 0.000 0.296 254 A C -0.879 176.803 177.584 0.164 0.000 1.073 254 A CA -0.748 51.406 52.037 0.195 0.000 0.700 254 A CB 1.218 20.175 19.000 -0.072 0.000 1.296 254 A HN 0.450 nan 8.150 nan 0.000 0.405 255 V N 1.961 121.983 119.914 0.179 0.000 2.427 255 V HA 0.432 4.552 4.120 -0.000 0.000 0.268 255 V C 0.540 176.621 176.094 -0.022 0.000 1.046 255 V CA -0.225 62.153 62.300 0.130 0.000 0.970 255 V CB 0.253 32.174 31.823 0.163 0.000 1.001 255 V HN 0.982 nan 8.190 nan 0.000 0.476 256 V N 2.278 122.139 119.914 -0.088 0.000 2.881 256 V HA 1.097 5.217 4.120 -0.000 0.000 0.316 256 V C 0.060 176.061 176.094 -0.155 0.000 1.070 256 V CA -0.027 62.204 62.300 -0.115 0.000 0.976 256 V CB 1.466 33.230 31.823 -0.099 0.000 1.038 256 V HN 1.176 nan 8.190 nan 0.000 0.446 257 A N 2.801 125.549 122.820 -0.120 0.000 2.765 257 A HA 0.751 5.071 4.320 -0.000 0.000 0.305 257 A C -0.421 177.116 177.584 -0.078 0.000 1.229 257 A CA -1.197 50.771 52.037 -0.114 0.000 0.653 257 A CB 0.847 19.782 19.000 -0.108 0.000 1.375 257 A HN 0.849 nan 8.150 nan 0.000 0.540 258 R N 0.333 120.794 120.500 -0.065 0.000 2.490 258 R HA 0.380 4.719 4.340 -0.000 0.000 0.280 258 R C 0.780 177.054 176.300 -0.043 0.000 1.077 258 R CA 0.226 56.299 56.100 -0.046 0.000 1.065 258 R CB 0.791 31.067 30.300 -0.039 0.000 1.003 258 R HN 0.635 nan 8.270 nan 0.000 0.470 259 S N 0.699 116.376 115.700 -0.038 0.000 2.382 259 S HA -0.055 4.415 4.470 -0.000 0.000 0.228 259 S C 0.737 175.316 174.600 -0.034 0.000 1.027 259 S CA 0.737 58.915 58.200 -0.037 0.000 0.991 259 S CB 0.238 63.416 63.200 -0.036 0.000 0.823 259 S HN 0.350 nan 8.310 nan 0.000 0.469 260 V N 1.325 121.219 119.914 -0.032 0.000 2.789 260 V HA 0.361 4.481 4.120 -0.000 0.000 0.311 260 V C -0.737 175.341 176.094 -0.027 0.000 1.073 260 V CA -0.902 61.381 62.300 -0.028 0.000 0.921 260 V CB 1.744 33.552 31.823 -0.026 0.000 1.009 260 V HN 0.145 nan 8.190 nan 0.000 0.426 261 D N 2.614 123.000 120.400 -0.023 0.000 2.751 261 D HA -0.171 4.468 4.640 -0.000 0.000 0.233 261 D C 1.527 177.812 176.300 -0.025 0.000 1.149 261 D CA 1.362 55.350 54.000 -0.021 0.000 0.682 261 D CB -0.969 39.820 40.800 -0.018 0.000 1.068 261 D HN 0.936 nan 8.370 nan 0.000 0.429 262 G N 0.021 108.803 108.800 -0.030 0.000 2.443 262 G HA2 -0.198 3.761 3.960 -0.000 0.000 0.219 262 G HA3 -0.198 3.761 3.960 -0.000 0.000 0.219 262 G C 0.806 175.687 174.900 -0.032 0.000 1.131 262 G CA 0.630 45.706 45.100 -0.039 0.000 0.775 262 G HN 0.460 nan 8.290 nan 0.000 0.547 263 R N -0.757 119.733 120.500 -0.017 0.000 3.644 263 R HA -0.161 4.179 4.340 -0.000 0.000 0.308 263 R C 1.123 177.431 176.300 0.013 0.000 1.161 263 R CA 0.783 56.883 56.100 -0.001 0.000 0.819 263 R CB -2.187 28.113 30.300 -0.001 0.000 1.363 263 R HN 0.498 nan 8.270 nan 0.000 0.479 264 E N 1.516 121.719 120.200 0.005 0.000 2.095 264 E HA -0.316 4.034 4.350 -0.000 0.000 0.212 264 E C 1.220 177.868 176.600 0.080 0.000 1.044 264 E CA 2.369 58.783 56.400 0.023 0.000 0.857 264 E CB -0.211 29.483 29.700 -0.011 0.000 0.764 264 E HN 0.676 nan 8.360 nan 0.000 0.462 265 D N 0.149 120.587 120.400 0.064 0.000 2.254 265 D HA -0.223 4.417 4.640 -0.000 0.000 0.201 265 D C 1.609 177.974 176.300 0.108 0.000 0.998 265 D CA 1.138 55.192 54.000 0.090 0.000 0.885 265 D CB -0.248 40.583 40.800 0.052 0.000 0.915 265 D HN 0.156 nan 8.370 nan 0.000 0.460 266 L N -0.119 121.156 121.223 0.086 0.000 2.168 266 L HA 0.126 4.465 4.340 -0.000 0.000 0.203 266 L C 2.417 179.357 176.870 0.118 0.000 1.078 266 L CA 0.685 55.576 54.840 0.085 0.000 0.780 266 L CB -0.422 41.672 42.059 0.057 0.000 0.939 266 L HN 0.087 nan 8.230 nan 0.000 0.451 267 I N -1.096 119.549 120.570 0.124 0.000 2.069 267 I HA -0.392 3.777 4.170 -0.000 0.000 0.237 267 I C 2.431 178.672 176.117 0.206 0.000 1.053 267 I CA 1.954 63.349 61.300 0.158 0.000 1.311 267 I CB -0.677 37.384 38.000 0.101 0.000 1.030 267 I HN 0.513 nan 8.210 nan 0.000 0.398 268 W N 2.879 124.207 121.300 0.047 0.000 2.331 268 W HA -0.235 4.424 4.660 -0.001 0.000 0.291 268 W C 2.314 178.902 176.519 0.116 0.000 1.214 268 W CA 1.590 58.971 57.345 0.061 0.000 1.228 268 W CB -0.098 29.387 29.460 0.042 0.000 1.135 268 W HN 0.179 nan 8.180 nan 0.000 0.537 269 K N 0.031 120.480 120.400 0.081 0.000 2.025 269 K HA -0.230 4.089 4.320 -0.000 0.000 0.207 269 K C 2.007 178.605 176.600 -0.004 0.000 1.049 269 K CA 1.545 57.828 56.287 -0.006 0.000 0.933 269 K CB -0.828 31.704 32.500 0.053 0.000 0.714 269 K HN 0.082 nan 8.250 nan 0.000 0.438 270 L N 1.818 123.082 121.223 0.068 0.000 1.971 270 L HA -0.210 4.130 4.340 -0.000 0.000 0.215 270 L C 1.935 178.890 176.870 0.141 0.000 1.072 270 L CA 1.722 56.642 54.840 0.134 0.000 0.758 270 L CB -0.616 41.572 42.059 0.216 0.000 0.889 270 L HN 0.139 nan 8.230 nan 0.000 0.433 271 L N -1.093 120.157 121.223 0.044 0.000 2.046 271 L HA -0.255 4.085 4.340 -0.000 0.000 0.208 271 L C 2.766 179.581 176.870 -0.091 0.000 1.077 271 L CA 1.573 56.377 54.840 -0.060 0.000 0.747 271 L CB -1.130 40.638 42.059 -0.485 0.000 0.896 271 L HN 0.517 nan 8.230 nan 0.000 0.432 272 H N 0.607 119.395 119.070 -0.470 0.000 2.352 272 H HA -0.146 4.410 4.556 -0.001 0.000 0.299 272 H C 2.393 177.610 175.328 -0.186 0.000 1.097 272 H CA 1.591 57.353 56.048 -0.475 0.000 1.311 272 H CB 0.231 29.609 29.762 -0.640 0.000 1.377 272 H HN 0.130 nan 8.280 nan 0.000 0.504 273 R N 0.263 120.817 120.500 0.091 0.000 2.090 273 R HA 0.018 4.358 4.340 -0.000 0.000 0.228 273 R C 2.452 178.791 176.300 0.065 0.000 1.110 273 R CA 0.883 57.041 56.100 0.097 0.000 0.973 273 R CB -0.696 29.669 30.300 0.107 0.000 0.869 273 R HN 0.384 nan 8.270 nan 0.000 0.440 274 A N 1.222 124.123 122.820 0.136 0.000 1.877 274 A HA -0.213 4.106 4.320 -0.000 0.000 0.216 274 A C 2.134 179.664 177.584 -0.089 0.000 1.186 274 A CA 1.292 53.426 52.037 0.163 0.000 0.620 274 A CB -0.433 18.695 19.000 0.214 0.000 0.822 274 A HN 0.355 nan 8.150 nan 0.000 0.443 275 Q N -0.962 118.762 119.800 -0.128 0.000 2.045 275 Q HA -0.250 4.090 4.340 -0.000 0.000 0.206 275 Q C 2.131 177.990 176.000 -0.236 0.000 0.991 275 Q CA 1.750 57.413 55.803 -0.234 0.000 0.851 275 Q CB -0.254 28.349 28.738 -0.227 0.000 0.911 275 Q HN 0.858 nan 8.270 nan 0.000 0.418 276 E N 0.237 120.318 120.200 -0.199 0.000 2.338 276 E HA -0.194 4.156 4.350 -0.000 0.000 0.197 276 E C 1.054 177.507 176.600 -0.245 0.000 1.007 276 E CA 0.766 57.057 56.400 -0.181 0.000 0.849 276 E CB 0.300 29.936 29.700 -0.108 0.000 0.774 276 E HN 0.144 nan 8.360 nan 0.000 0.506 277 E N -1.459 118.549 120.200 -0.321 0.000 2.489 277 E HA 0.106 4.456 4.350 -0.000 0.000 0.204 277 E C -0.449 175.419 176.600 -1.220 0.000 1.006 277 E CA 0.153 56.103 56.400 -0.751 0.000 0.936 277 E CB 0.464 29.627 29.700 -0.896 0.000 1.002 277 E HN 0.238 nan 8.360 nan 0.000 0.488 278 F N -2.231 117.537 119.950 -0.303 0.000 2.916 278 F HA 0.389 4.916 4.527 -0.000 0.000 0.331 278 F C 0.770 176.188 175.800 -0.636 0.000 1.268 278 F CA -0.491 57.212 58.000 -0.494 0.000 1.016 278 F CB 0.206 38.701 39.000 -0.841 0.000 1.386 278 F HN -0.031 nan 8.300 nan 0.000 0.503 279 G N 0.122 108.687 108.800 -0.391 0.000 2.531 279 G HA2 0.296 4.255 3.960 -0.000 0.000 0.253 279 G HA3 0.296 4.255 3.960 -0.000 0.000 0.253 279 G C 0.106 174.855 174.900 -0.252 0.000 1.439 279 G CA -0.809 44.019 45.100 -0.453 0.000 1.056 279 G HN 0.034 nan 8.290 nan 0.000 0.555 280 R N 0.875 121.294 120.500 -0.135 0.000 3.924 280 R HA -0.147 4.193 4.340 -0.000 0.000 0.279 280 R C 0.690 176.936 176.300 -0.091 0.000 0.562 280 R CA 0.874 56.927 56.100 -0.079 0.000 1.007 280 R CB -1.314 28.956 30.300 -0.049 0.000 0.920 280 R HN 0.744 nan 8.270 nan 0.000 0.332 281 N N 1.120 119.769 118.700 -0.086 0.000 2.690 281 N HA -0.241 4.499 4.740 -0.000 0.000 0.249 281 N C 0.602 176.064 175.510 -0.079 0.000 1.125 281 N CA 1.687 54.695 53.050 -0.070 0.000 0.794 281 N CB -0.130 38.327 38.487 -0.051 0.000 1.152 281 N HN 0.416 nan 8.380 nan 0.000 0.571 282 K N -0.475 119.858 120.400 -0.112 0.000 2.032 282 K HA -0.030 4.290 4.320 -0.000 0.000 0.209 282 K C 1.413 177.947 176.600 -0.110 0.000 1.048 282 K CA 1.676 57.887 56.287 -0.126 0.000 0.927 282 K CB -0.594 31.796 32.500 -0.185 0.000 0.712 282 K HN 0.523 nan 8.250 nan 0.000 0.441 283 S N -1.297 114.347 115.700 -0.094 0.000 3.081 283 S HA 0.360 4.829 4.470 -0.000 0.000 0.316 283 S C 0.496 175.102 174.600 0.010 0.000 1.089 283 S CA 0.134 58.310 58.200 -0.039 0.000 0.897 283 S CB 1.370 64.553 63.200 -0.028 0.000 1.358 283 S HN 0.175 nan 8.310 nan 0.000 0.678 284 S N -1.061 114.676 115.700 0.062 0.000 2.800 284 S HA 0.381 4.850 4.470 -0.000 0.000 0.266 284 S C 1.286 175.957 174.600 0.120 0.000 1.029 284 S CA 0.473 58.713 58.200 0.067 0.000 1.302 284 S CB -0.309 62.914 63.200 0.040 0.000 1.212 284 S HN 1.172 nan 8.310 nan 0.000 0.683 285 A N 1.143 124.070 122.820 0.178 0.000 2.168 285 A HA 0.582 4.902 4.320 -0.000 0.000 0.215 285 A C 0.383 178.161 177.584 0.323 0.000 1.152 285 A CA 0.587 52.757 52.037 0.221 0.000 0.716 285 A CB -0.315 18.836 19.000 0.251 0.000 0.794 285 A HN 0.980 nan 8.150 nan 0.000 0.465 286 F N -1.829 118.199 119.950 0.131 0.000 2.793 286 F HA 0.506 5.033 4.527 -0.000 0.000 0.316 286 F C -2.515 173.303 175.800 0.030 0.000 1.147 286 F CA -1.719 56.279 58.000 -0.003 0.000 0.930 286 F CB 0.593 39.440 39.000 -0.256 0.000 1.277 286 F HN -0.005 nan 8.300 nan 0.000 0.443 287 Q N 4.295 124.060 119.800 -0.059 0.000 2.263 287 Q HA 0.502 4.841 4.340 -0.000 0.000 0.266 287 Q C -0.061 175.522 176.000 -0.694 0.000 1.002 287 Q CA -0.626 54.932 55.803 -0.408 0.000 0.790 287 Q CB 2.284 30.947 28.738 -0.125 0.000 1.272 287 Q HN 0.668 nan 8.270 nan 0.000 0.435 288 L N 1.490 122.076 121.223 -1.060 0.000 1.932 288 L HA -0.017 4.322 4.340 -0.000 0.000 0.217 288 L C 0.514 177.092 176.870 -0.487 0.000 1.077 288 L CA 1.906 56.102 54.840 -1.072 0.000 0.765 288 L CB -0.066 40.934 42.059 -1.765 0.000 0.888 288 L HN 0.780 nan 8.230 nan 0.000 0.433 289 F N 0.536 120.338 119.950 -0.246 0.000 2.818 289 F HA 0.384 4.910 4.527 -0.001 0.000 0.303 289 F C 0.945 176.694 175.800 -0.084 0.000 1.250 289 F CA -0.359 57.559 58.000 -0.136 0.000 1.409 289 F CB -1.680 37.211 39.000 -0.182 0.000 1.183 289 F HN 0.053 nan 8.300 nan 0.000 0.534 290 G N -0.616 108.219 108.800 0.059 0.000 2.643 290 G HA2 0.574 4.534 3.960 -0.000 0.000 0.305 290 G HA3 0.574 4.534 3.960 -0.000 0.000 0.305 290 G C -0.940 174.005 174.900 0.074 0.000 1.387 290 G CA -0.445 44.685 45.100 0.050 0.000 0.982 290 G HN 0.137 nan 8.290 nan 0.000 0.501 291 S N -0.521 115.218 115.700 0.066 0.000 2.704 291 S HA 0.780 5.249 4.470 -0.000 0.000 0.296 291 S C 0.474 175.105 174.600 0.051 0.000 1.138 291 S CA -0.549 57.691 58.200 0.067 0.000 0.875 291 S CB 1.704 64.950 63.200 0.076 0.000 1.151 291 S HN 1.095 nan 8.310 nan 0.000 0.500 292 T N -0.071 114.511 114.554 0.048 0.000 2.802 292 T HA 0.259 4.608 4.350 -0.000 0.000 0.305 292 T C -2.212 172.512 174.700 0.039 0.000 1.053 292 T CA -0.933 61.191 62.100 0.038 0.000 1.058 292 T CB 0.075 68.963 68.868 0.033 0.000 0.988 292 T HN 0.199 nan 8.240 nan 0.000 0.539 293 P HA 0.092 nan 4.420 nan 0.000 0.219 293 P C 1.796 179.121 177.300 0.041 0.000 1.150 293 P CA 0.932 64.052 63.100 0.034 0.000 0.814 293 P CB -0.374 31.342 31.700 0.028 0.000 0.787 294 G N -0.005 108.817 108.800 0.037 0.000 2.587 294 G HA2 -0.181 3.779 3.960 -0.000 0.000 0.217 294 G HA3 -0.181 3.779 3.960 -0.000 0.000 0.217 294 G C 0.125 175.057 174.900 0.052 0.000 1.240 294 G CA 0.844 45.966 45.100 0.037 0.000 0.794 294 G HN 0.288 nan 8.290 nan 0.000 0.580 295 E N -0.419 119.817 120.200 0.061 0.000 2.272 295 E HA 0.461 4.811 4.350 -0.000 0.000 0.269 295 E C -0.517 176.137 176.600 0.089 0.000 0.877 295 E CA -0.728 55.725 56.400 0.089 0.000 0.755 295 E CB 2.043 31.804 29.700 0.100 0.000 1.192 295 E HN 0.113 nan 8.360 nan 0.000 0.422 296 Q N 0.839 120.700 119.800 0.102 0.000 2.173 296 Q HA 0.212 4.552 4.340 -0.000 0.000 0.186 296 Q C -0.444 175.620 176.000 0.107 0.000 1.018 296 Q CA -0.483 55.373 55.803 0.088 0.000 1.064 296 Q CB 0.341 29.125 28.738 0.076 0.000 1.130 296 Q HN 0.502 nan 8.270 nan 0.000 0.553 297 D N 0.432 120.891 120.400 0.098 0.000 2.697 297 D HA -0.176 4.463 4.640 -0.000 0.000 0.235 297 D C -0.797 175.580 176.300 0.127 0.000 1.167 297 D CA 0.701 54.771 54.000 0.116 0.000 0.656 297 D CB -1.230 39.643 40.800 0.122 0.000 1.025 297 D HN 0.283 nan 8.370 nan 0.000 0.419 298 L N 0.461 121.753 121.223 0.116 0.000 2.261 298 L HA 0.308 4.647 4.340 -0.000 0.000 0.289 298 L C 1.904 178.802 176.870 0.048 0.000 1.059 298 L CA -0.588 54.306 54.840 0.089 0.000 0.816 298 L CB 0.613 42.718 42.059 0.077 0.000 1.191 298 L HN 0.245 nan 8.230 nan 0.000 0.431 299 L N 1.366 122.564 121.223 -0.042 0.000 3.271 299 L HA -0.334 4.006 4.340 -0.000 0.000 0.385 299 L C -0.194 176.285 176.870 -0.652 0.000 0.696 299 L CA 1.416 56.045 54.840 -0.352 0.000 3.118 299 L CB -1.192 40.612 42.059 -0.425 0.000 0.639 299 L HN 0.409 nan 8.230 nan 0.000 0.752 300 F N -1.040 119.015 119.950 0.174 0.000 2.706 300 F HA 0.627 5.154 4.527 -0.000 0.000 0.328 300 F C 0.240 176.131 175.800 0.152 0.000 1.123 300 F CA -0.918 57.224 58.000 0.236 0.000 0.978 300 F CB 0.845 40.038 39.000 0.321 0.000 1.404 300 F HN -0.300 nan 8.300 nan 0.000 0.497 301 K N 1.279 121.844 120.400 0.274 0.000 2.248 301 K HA 0.237 4.557 4.320 -0.000 0.000 0.281 301 K C -1.112 175.430 176.600 -0.097 0.000 1.054 301 K CA -0.271 56.030 56.287 0.023 0.000 0.903 301 K CB 0.188 32.548 32.500 -0.235 0.000 1.077 301 K HN 0.332 nan 8.250 nan 0.000 0.474 302 D N 2.730 123.097 120.400 -0.055 0.000 2.533 302 D HA -0.047 4.593 4.640 -0.000 0.000 0.236 302 D C -0.261 175.944 176.300 -0.159 0.000 1.137 302 D CA 0.935 54.905 54.000 -0.049 0.000 0.867 302 D CB 0.307 41.097 40.800 -0.017 0.000 1.170 302 D HN 0.675 nan 8.370 nan 0.000 0.474 303 S N -0.357 115.301 115.700 -0.071 0.000 3.749 303 S HA -0.154 4.316 4.470 -0.000 0.000 0.348 303 S C -0.048 174.424 174.600 -0.213 0.000 1.045 303 S CA 0.486 58.627 58.200 -0.099 0.000 1.051 303 S CB -1.115 62.018 63.200 -0.112 0.000 0.898 303 S HN 0.725 nan 8.310 nan 0.000 0.472 304 A N 0.536 123.099 122.820 -0.429 0.000 2.260 304 A HA 0.696 5.016 4.320 -0.000 0.000 0.308 304 A C 1.230 178.440 177.584 -0.623 0.000 1.254 304 A CA -0.595 51.149 52.037 -0.487 0.000 0.874 304 A CB 0.339 18.911 19.000 -0.713 0.000 1.153 304 A HN 0.427 nan 8.150 nan 0.000 0.527 305 L N 2.523 123.577 121.223 -0.283 0.000 1.991 305 L HA -0.129 4.210 4.340 -0.000 0.000 0.221 305 L C 1.635 178.376 176.870 -0.216 0.000 1.079 305 L CA 2.159 56.886 54.840 -0.188 0.000 0.778 305 L CB -0.583 41.394 42.059 -0.137 0.000 0.893 305 L HN 0.928 nan 8.230 nan 0.000 0.437 306 G N -3.047 105.490 108.800 -0.438 0.000 2.392 306 G HA2 0.322 4.282 3.960 -0.000 0.000 0.260 306 G HA3 0.322 4.282 3.960 -0.000 0.000 0.260 306 G C -1.617 172.921 174.900 -0.603 0.000 1.226 306 G CA -0.751 44.022 45.100 -0.545 0.000 0.913 306 G HN -0.079 nan 8.290 nan 0.000 0.483 307 F N -0.303 119.657 119.950 0.017 0.000 2.639 307 F HA 0.820 5.347 4.527 -0.000 0.000 0.339 307 F C 0.404 176.363 175.800 0.265 0.000 1.071 307 F CA -1.018 57.059 58.000 0.128 0.000 0.994 307 F CB 2.125 41.240 39.000 0.191 0.000 1.341 307 F HN 0.481 nan 8.300 nan 0.000 0.498 308 V N -0.929 119.369 119.914 0.641 0.000 2.841 308 V HA 0.614 4.734 4.120 -0.000 0.000 0.310 308 V C -0.838 175.535 176.094 0.465 0.000 1.090 308 V CA -1.180 61.453 62.300 0.554 0.000 0.930 308 V CB 1.803 33.876 31.823 0.416 0.000 1.014 308 V HN 0.819 nan 8.190 nan 0.000 0.425 309 R N 2.764 123.170 120.500 -0.155 0.000 2.202 309 R HA 0.610 4.950 4.340 -0.000 0.000 0.334 309 R C -0.670 175.335 176.300 -0.492 0.000 1.036 309 R CA -0.594 55.020 56.100 -0.809 0.000 0.878 309 R CB 0.746 29.692 30.300 -2.258 0.000 1.067 309 R HN 0.822 nan 8.270 nan 0.000 0.457 310 I N 6.947 127.277 120.570 -0.399 0.000 2.634 310 I HA 0.124 4.294 4.170 -0.000 0.000 0.284 310 I C -1.817 174.014 176.117 -0.476 0.000 1.124 310 I CA -1.802 59.154 61.300 -0.574 0.000 1.417 310 I CB 0.820 38.531 38.000 -0.482 0.000 1.396 310 I HN 0.392 nan 8.210 nan 0.000 0.571 311 P HA 0.107 nan 4.420 nan 0.000 0.271 311 P C 0.196 177.356 177.300 -0.235 0.000 1.218 311 P CA -0.022 62.892 63.100 -0.309 0.000 0.780 311 P CB 0.818 32.369 31.700 -0.249 0.000 0.901 312 S N 1.090 116.687 115.700 -0.172 0.000 2.382 312 S HA -0.216 4.253 4.470 -0.000 0.000 0.228 312 S C 1.736 176.283 174.600 -0.089 0.000 1.027 312 S CA 1.070 59.195 58.200 -0.125 0.000 0.991 312 S CB -0.557 62.581 63.200 -0.103 0.000 0.823 312 S HN 0.616 nan 8.310 nan 0.000 0.469 313 Q N 0.535 120.291 119.800 -0.074 0.000 2.364 313 Q HA -0.024 4.316 4.340 -0.000 0.000 0.209 313 Q C 0.024 176.004 176.000 -0.034 0.000 0.977 313 Q CA 0.522 56.299 55.803 -0.044 0.000 0.885 313 Q CB -0.200 28.520 28.738 -0.029 0.000 0.941 313 Q HN 0.490 nan 8.270 nan 0.000 0.464 314 I N 3.665 124.203 120.570 -0.053 0.000 2.581 314 I HA -0.045 4.125 4.170 -0.000 0.000 0.285 314 I C -0.202 175.907 176.117 -0.012 0.000 1.129 314 I CA 0.009 61.296 61.300 -0.022 0.000 1.397 314 I CB -0.116 37.853 38.000 -0.053 0.000 1.399 314 I HN 0.206 nan 8.210 nan 0.000 0.537 315 D N 4.205 124.622 120.400 0.028 0.000 2.340 315 D HA 0.212 4.852 4.640 -0.000 0.000 0.240 315 D C 0.852 177.206 176.300 0.091 0.000 1.001 315 D CA -0.635 53.384 54.000 0.031 0.000 0.888 315 D CB 1.520 42.335 40.800 0.024 0.000 1.310 315 D HN 0.512 nan 8.370 nan 0.000 0.474 316 S N 1.678 117.438 115.700 0.099 0.000 2.422 316 S HA -0.320 4.149 4.470 -0.000 0.000 0.248 316 S C 2.146 176.890 174.600 0.241 0.000 1.069 316 S CA 1.799 60.110 58.200 0.186 0.000 1.214 316 S CB -1.828 61.462 63.200 0.151 0.000 1.122 316 S HN 0.816 nan 8.310 nan 0.000 0.432 317 G N 2.343 111.257 108.800 0.191 0.000 2.766 317 G HA2 -0.301 3.659 3.960 -0.000 0.000 0.222 317 G HA3 -0.301 3.659 3.960 -0.000 0.000 0.222 317 G C 1.410 176.408 174.900 0.164 0.000 1.225 317 G CA 1.444 46.660 45.100 0.192 0.000 0.784 317 G HN 0.492 nan 8.290 nan 0.000 0.631 318 L N -0.895 120.408 121.223 0.134 0.000 1.997 318 L HA -0.211 4.129 4.340 -0.000 0.000 0.216 318 L C 2.635 179.579 176.870 0.124 0.000 1.074 318 L CA 2.174 57.081 54.840 0.112 0.000 0.763 318 L CB -0.516 41.604 42.059 0.103 0.000 0.890 318 L HN 0.425 nan 8.230 nan 0.000 0.434 319 Y N 0.403 120.750 120.300 0.079 0.000 2.139 319 Y HA -0.319 4.231 4.550 -0.001 0.000 0.282 319 Y C 2.206 178.155 175.900 0.082 0.000 1.179 319 Y CA 1.747 59.903 58.100 0.092 0.000 1.161 319 Y CB -0.385 38.121 38.460 0.076 0.000 0.970 319 Y HN 0.072 nan 8.280 nan 0.000 0.511 320 L N -0.558 120.615 121.223 -0.084 0.000 1.961 320 L HA 0.104 4.444 4.340 -0.000 0.000 0.209 320 L C 1.405 178.194 176.870 -0.134 0.000 1.075 320 L CA 1.046 55.784 54.840 -0.171 0.000 0.749 320 L CB -1.274 40.857 42.059 0.119 0.000 0.890 320 L HN 0.465 nan 8.230 nan 0.000 0.433 321 G N -2.598 106.204 108.800 0.002 0.000 2.515 321 G HA2 0.056 4.015 3.960 -0.000 0.000 0.686 321 G HA3 0.056 4.015 3.960 -0.000 0.000 0.686 321 G C 0.250 175.182 174.900 0.054 0.000 1.274 321 G CA -0.207 44.897 45.100 0.008 0.000 0.874 321 G HN 0.321 nan 8.290 nan 0.000 0.631 322 A N 0.782 123.627 122.820 0.041 0.000 1.842 322 A HA -0.114 4.206 4.320 -0.000 0.000 0.217 322 A C 2.333 179.944 177.584 0.045 0.000 1.206 322 A CA 2.778 54.840 52.037 0.043 0.000 0.630 322 A CB -1.046 17.970 19.000 0.026 0.000 0.839 322 A HN 1.359 nan 8.150 nan 0.000 0.447 323 N N -1.534 117.188 118.700 0.037 0.000 2.139 323 N HA -0.272 4.467 4.740 -0.000 0.000 0.199 323 N C 1.495 177.030 175.510 0.042 0.000 1.003 323 N CA 2.269 55.339 53.050 0.034 0.000 0.892 323 N CB -0.593 37.914 38.487 0.034 0.000 1.039 323 N HN 0.702 nan 8.380 nan 0.000 0.461 324 Y N 0.453 120.720 120.300 -0.055 0.000 2.269 324 Y HA 0.148 4.698 4.550 -0.000 0.000 0.294 324 Y C 2.005 177.852 175.900 -0.089 0.000 1.120 324 Y CA 0.836 58.891 58.100 -0.075 0.000 1.159 324 Y CB -0.102 38.303 38.460 -0.091 0.000 1.024 324 Y HN 0.010 nan 8.280 nan 0.000 0.532 325 L N -0.288 120.963 121.223 0.047 0.000 2.083 325 L HA -0.228 4.112 4.340 -0.000 0.000 0.209 325 L C 2.447 179.277 176.870 -0.066 0.000 1.083 325 L CA 1.924 56.763 54.840 -0.003 0.000 0.752 325 L CB -0.945 41.190 42.059 0.128 0.000 0.899 325 L HN 0.409 nan 8.230 nan 0.000 0.433 326 T N -2.154 112.373 114.554 -0.045 0.000 2.622 326 T HA -0.203 4.146 4.350 -0.000 0.000 0.266 326 T C 1.945 176.590 174.700 -0.092 0.000 1.047 326 T CA 1.093 63.168 62.100 -0.042 0.000 1.159 326 T CB -0.610 68.243 68.868 -0.026 0.000 0.863 326 T HN 0.334 nan 8.240 nan 0.000 0.422 327 A N 1.698 124.425 122.820 -0.155 0.000 1.902 327 A HA -0.055 4.265 4.320 -0.000 0.000 0.217 327 A C 2.649 180.085 177.584 -0.247 0.000 1.181 327 A CA 2.208 54.132 52.037 -0.188 0.000 0.623 327 A CB -1.581 17.286 19.000 -0.222 0.000 0.818 327 A HN 0.561 nan 8.150 nan 0.000 0.443 328 T N 0.445 114.749 114.554 -0.417 0.000 2.622 328 T HA -0.228 4.122 4.350 -0.000 0.000 0.266 328 T C 2.040 176.611 174.700 -0.214 0.000 1.047 328 T CA 1.942 63.761 62.100 -0.468 0.000 1.159 328 T CB -0.416 67.950 68.868 -0.837 0.000 0.863 328 T HN 0.662 nan 8.240 nan 0.000 0.422 329 Q N 0.846 120.571 119.800 -0.125 0.000 2.234 329 Q HA -0.077 4.262 4.340 -0.000 0.000 0.206 329 Q C 2.218 178.241 176.000 0.039 0.000 0.980 329 Q CA 1.125 56.963 55.803 0.059 0.000 0.869 329 Q CB -0.385 28.417 28.738 0.107 0.000 0.912 329 Q HN 0.627 nan 8.270 nan 0.000 0.436 330 N N 0.550 119.241 118.700 -0.016 0.000 2.149 330 N HA -0.138 4.602 4.740 -0.000 0.000 0.188 330 N C 1.234 176.785 175.510 0.067 0.000 1.019 330 N CA 0.731 53.784 53.050 0.005 0.000 0.857 330 N CB -0.090 38.378 38.487 -0.031 0.000 0.997 330 N HN 0.221 nan 8.380 nan 0.000 0.426 331 L N 1.026 122.287 121.223 0.064 0.000 2.675 331 L HA 0.008 4.348 4.340 -0.000 0.000 0.238 331 L C 1.297 178.328 176.870 0.268 0.000 1.155 331 L CA 0.384 55.320 54.840 0.161 0.000 0.881 331 L CB -0.222 41.866 42.059 0.048 0.000 1.008 331 L HN 0.295 nan 8.230 nan 0.000 0.443 332 R N -1.143 119.476 120.500 0.199 0.000 2.582 332 R HA 0.354 4.694 4.340 -0.000 0.000 0.453 332 R C -0.546 175.829 176.300 0.124 0.000 0.969 332 R CA -0.166 56.053 56.100 0.198 0.000 1.113 332 R CB 0.331 30.746 30.300 0.192 0.000 1.507 332 R HN 0.181 nan 8.270 nan 0.000 0.587 333 E N 1.284 121.534 120.200 0.084 0.000 2.367 333 E HA 0.233 4.583 4.350 -0.000 0.000 0.273 333 E C -0.746 175.833 176.600 -0.035 0.000 0.903 333 E CA -0.895 55.520 56.400 0.025 0.000 0.764 333 E CB 2.506 32.221 29.700 0.025 0.000 1.252 333 E HN 0.271 nan 8.360 nan 0.000 0.446 334 T N -1.502 113.006 114.554 -0.077 0.000 2.828 334 T HA 0.355 4.705 4.350 -0.000 0.000 0.290 334 T C 1.215 175.839 174.700 -0.127 0.000 1.019 334 T CA 0.013 62.021 62.100 -0.153 0.000 1.031 334 T CB 1.405 70.190 68.868 -0.138 0.000 1.001 334 T HN 0.530 nan 8.240 nan 0.000 0.531 335 A N 2.046 124.768 122.820 -0.163 0.000 1.859 335 A HA 0.063 4.383 4.320 -0.000 0.000 0.217 335 A C 2.734 180.268 177.584 -0.084 0.000 1.198 335 A CA 2.547 54.515 52.037 -0.115 0.000 0.629 335 A CB -1.742 17.181 19.000 -0.128 0.000 0.830 335 A HN 1.433 nan 8.150 nan 0.000 0.446 336 A N -0.428 122.340 122.820 -0.086 0.000 1.870 336 A HA -0.329 3.990 4.320 -0.000 0.000 0.219 336 A C 1.895 179.450 177.584 -0.050 0.000 1.224 336 A CA 2.232 54.230 52.037 -0.064 0.000 0.650 336 A CB -1.032 17.930 19.000 -0.065 0.000 0.836 336 A HN 0.670 nan 8.150 nan 0.000 0.454 337 E N -0.752 119.418 120.200 -0.051 0.000 2.068 337 E HA -0.227 4.123 4.350 -0.000 0.000 0.207 337 E C 2.058 178.640 176.600 -0.030 0.000 1.032 337 E CA 1.844 58.223 56.400 -0.034 0.000 0.839 337 E CB -0.548 29.133 29.700 -0.032 0.000 0.758 337 E HN 0.453 nan 8.360 nan 0.000 0.457 338 V N 1.416 121.308 119.914 -0.037 0.000 2.215 338 V HA -0.346 3.773 4.120 -0.000 0.000 0.246 338 V C 2.400 178.472 176.094 -0.037 0.000 1.047 338 V CA 2.181 64.461 62.300 -0.034 0.000 0.999 338 V CB -1.113 30.687 31.823 -0.039 0.000 0.635 338 V HN 0.412 nan 8.190 nan 0.000 0.450 339 A N -0.098 122.696 122.820 -0.044 0.000 1.958 339 A HA -0.236 4.084 4.320 -0.000 0.000 0.221 339 A C 2.383 179.946 177.584 -0.035 0.000 1.178 339 A CA 2.740 54.750 52.037 -0.045 0.000 0.642 339 A CB -1.007 17.966 19.000 -0.045 0.000 0.816 339 A HN 0.735 nan 8.150 nan 0.000 0.453 340 A N 0.021 122.825 122.820 -0.027 0.000 1.842 340 A HA -0.245 4.075 4.320 -0.000 0.000 0.217 340 A C 2.154 179.735 177.584 -0.005 0.000 1.206 340 A CA 2.643 54.671 52.037 -0.014 0.000 0.630 340 A CB -0.676 18.314 19.000 -0.016 0.000 0.839 340 A HN 0.507 nan 8.150 nan 0.000 0.447 341 R N -0.106 120.389 120.500 -0.008 0.000 2.119 341 R HA -0.167 4.173 4.340 -0.000 0.000 0.246 341 R C 2.233 178.532 176.300 -0.001 0.000 1.146 341 R CA 2.299 58.400 56.100 0.001 0.000 0.962 341 R CB -0.706 29.593 30.300 -0.001 0.000 0.863 341 R HN 0.579 nan 8.270 nan 0.000 0.442 342 R N -0.114 120.365 120.500 -0.036 0.000 2.096 342 R HA -0.075 4.265 4.340 -0.000 0.000 0.235 342 R C 2.024 178.221 176.300 -0.172 0.000 1.127 342 R CA 1.961 58.005 56.100 -0.093 0.000 0.968 342 R CB -0.100 30.135 30.300 -0.108 0.000 0.861 342 R HN 0.405 nan 8.270 nan 0.000 0.440 343 E N -0.316 119.844 120.200 -0.068 0.000 2.358 343 E HA -0.091 4.259 4.350 -0.000 0.000 0.195 343 E C 0.595 177.412 176.600 0.361 0.000 1.010 343 E CA 0.317 56.748 56.400 0.052 0.000 0.856 343 E CB 0.250 29.989 29.700 0.066 0.000 0.795 343 E HN 0.315 nan 8.360 nan 0.000 0.504 344 R N -0.431 120.201 120.500 0.219 0.000 2.523 344 R HA 0.545 4.885 4.340 -0.000 0.000 0.229 344 R C -0.531 175.865 176.300 0.160 0.000 1.265 344 R CA -0.661 55.524 56.100 0.142 0.000 1.081 344 R CB 0.733 31.059 30.300 0.043 0.000 1.540 344 R HN -0.205 nan 8.270 nan 0.000 0.560 345 V N 0.520 120.459 119.914 0.043 0.000 2.752 345 V HA 0.265 4.385 4.120 -0.000 0.000 0.302 345 V C -1.035 175.073 176.094 0.023 0.000 1.133 345 V CA -0.957 61.374 62.300 0.051 0.000 0.919 345 V CB 2.071 33.908 31.823 0.024 0.000 1.026 345 V HN 0.560 nan 8.190 nan 0.000 0.429 346 V N 4.078 124.027 119.914 0.059 0.000 2.370 346 V HA 0.419 4.539 4.120 -0.000 0.000 0.279 346 V C -0.355 175.822 176.094 0.137 0.000 1.029 346 V CA -0.415 61.921 62.300 0.060 0.000 0.870 346 V CB 1.726 33.568 31.823 0.032 0.000 0.984 346 V HN 0.875 nan 8.190 nan 0.000 0.451 347 W N 4.638 125.909 121.300 -0.048 0.000 2.449 347 W HA 0.431 5.091 4.660 -0.000 0.000 0.331 347 W C -0.559 175.974 176.519 0.024 0.000 1.119 347 W CA -0.727 56.632 57.345 0.023 0.000 1.240 347 W CB 1.840 31.359 29.460 0.097 0.000 1.251 347 W HN 0.546 nan 8.180 nan 0.000 0.576 348 c N 5.368 123.876 118.600 -0.153 0.000 2.225 348 c HA 0.668 5.237 4.570 -0.000 0.000 0.323 348 c C 0.540 174.643 174.090 0.022 0.000 1.164 348 c CA -0.274 56.015 56.329 -0.068 0.000 1.565 348 c CB -1.253 41.164 42.510 -0.156 0.000 2.124 348 c HN 0.543 nan 8.230 nan 0.000 0.461 349 A N 4.731 127.618 122.820 0.112 0.000 2.302 349 A HA 0.762 5.082 4.320 -0.000 0.000 0.285 349 A C -0.451 177.146 177.584 0.022 0.000 1.105 349 A CA -0.297 51.808 52.037 0.114 0.000 0.816 349 A CB 0.640 19.723 19.000 0.138 0.000 1.067 349 A HN 0.887 nan 8.150 nan 0.000 0.489 350 V N 0.547 120.462 119.914 0.002 0.000 2.448 350 V HA 0.758 4.878 4.120 -0.000 0.000 0.295 350 V C 0.602 176.667 176.094 -0.049 0.000 1.025 350 V CA 0.069 62.333 62.300 -0.059 0.000 0.859 350 V CB 0.188 31.948 31.823 -0.105 0.000 0.988 350 V HN 2.229 nan 8.190 nan 0.000 0.431 351 G N 6.213 114.972 108.800 -0.068 0.000 2.764 351 G HA2 -0.093 3.867 3.960 -0.000 0.000 0.686 351 G HA3 -0.093 3.867 3.960 -0.000 0.000 0.686 351 G C -1.423 173.468 174.900 -0.014 0.000 1.258 351 G CA -0.189 44.874 45.100 -0.061 0.000 0.846 351 G HN 0.628 nan 8.290 nan 0.000 0.596 352 P HA -0.220 nan 4.420 nan 0.000 0.212 352 P C 1.438 178.753 177.300 0.025 0.000 1.174 352 P CA 2.171 65.273 63.100 0.005 0.000 0.934 352 P CB -0.008 31.690 31.700 -0.003 0.000 0.791 353 E N -0.107 120.111 120.200 0.030 0.000 2.114 353 E HA -0.238 4.112 4.350 -0.000 0.000 0.199 353 E C 2.200 178.839 176.600 0.065 0.000 1.008 353 E CA 1.422 57.852 56.400 0.050 0.000 0.810 353 E CB -0.304 29.431 29.700 0.060 0.000 0.739 353 E HN 0.487 nan 8.360 nan 0.000 0.456 354 E N 0.421 120.659 120.200 0.064 0.000 2.028 354 E HA -0.213 4.137 4.350 -0.000 0.000 0.191 354 E C 2.165 178.817 176.600 0.086 0.000 0.988 354 E CA 0.821 57.271 56.400 0.084 0.000 0.799 354 E CB -0.098 29.652 29.700 0.084 0.000 0.755 354 E HN 0.264 nan 8.360 nan 0.000 0.447 355 E N 1.068 121.307 120.200 0.065 0.000 2.130 355 E HA -0.259 4.090 4.350 -0.000 0.000 0.196 355 E C 2.115 178.747 176.600 0.053 0.000 0.998 355 E CA 1.044 57.480 56.400 0.060 0.000 0.806 355 E CB 0.114 29.836 29.700 0.037 0.000 0.738 355 E HN 0.110 nan 8.360 nan 0.000 0.459 356 R N 0.408 120.937 120.500 0.048 0.000 2.103 356 R HA -0.205 4.135 4.340 -0.000 0.000 0.234 356 R C 2.590 178.920 176.300 0.050 0.000 1.132 356 R CA 1.911 58.037 56.100 0.043 0.000 0.925 356 R CB -0.510 29.819 30.300 0.048 0.000 0.842 356 R HN 0.115 nan 8.270 nan 0.000 0.430 357 K N 0.494 120.939 120.400 0.077 0.000 2.059 357 K HA -0.233 4.086 4.320 -0.000 0.000 0.212 357 K C 2.252 178.889 176.600 0.063 0.000 1.050 357 K CA 1.977 58.322 56.287 0.096 0.000 0.927 357 K CB -0.410 32.173 32.500 0.138 0.000 0.714 357 K HN 0.253 nan 8.250 nan 0.000 0.447 358 c N 1.199 119.857 118.600 0.096 0.000 2.435 358 c HA -0.008 4.562 4.570 -0.000 0.000 0.279 358 c C 2.300 176.412 174.090 0.037 0.000 1.321 358 c CA 0.636 57.038 56.329 0.121 0.000 1.752 358 c CB -0.710 41.899 42.510 0.165 0.000 1.959 358 c HN 0.418 nan 8.230 nan 0.000 0.500 359 K N 0.400 120.808 120.400 0.013 0.000 2.026 359 K HA -0.141 4.179 4.320 -0.000 0.000 0.208 359 K C 2.156 178.713 176.600 -0.072 0.000 1.048 359 K CA 1.475 57.748 56.287 -0.023 0.000 0.929 359 K CB -0.665 31.830 32.500 -0.008 0.000 0.713 359 K HN 0.680 nan 8.250 nan 0.000 0.439 360 Q N -0.311 119.433 119.800 -0.093 0.000 1.967 360 Q HA -0.236 4.104 4.340 -0.000 0.000 0.210 360 Q C 1.931 177.721 176.000 -0.349 0.000 1.005 360 Q CA 1.882 57.563 55.803 -0.204 0.000 0.862 360 Q CB -0.492 28.102 28.738 -0.240 0.000 0.939 360 Q HN 0.390 nan 8.270 nan 0.000 0.417 361 W N 1.358 122.207 121.300 -0.751 0.000 2.296 361 W HA -0.277 4.383 4.660 -0.001 0.000 0.296 361 W C 2.517 178.781 176.519 -0.425 0.000 1.220 361 W CA 1.707 58.582 57.345 -0.784 0.000 1.223 361 W CB -0.854 28.260 29.460 -0.577 0.000 1.139 361 W HN 0.100 nan 8.180 nan 0.000 0.534 362 S N 0.059 115.647 115.700 -0.187 0.000 2.335 362 S HA -0.191 4.278 4.470 -0.000 0.000 0.216 362 S C 1.606 176.111 174.600 -0.158 0.000 1.032 362 S CA 1.837 59.911 58.200 -0.209 0.000 1.000 362 S CB -0.621 62.496 63.200 -0.139 0.000 0.928 362 S HN 0.237 nan 8.310 nan 0.000 0.434 363 D N 0.844 121.166 120.400 -0.129 0.000 2.221 363 D HA -0.071 4.569 4.640 -0.000 0.000 0.204 363 D C 1.982 178.227 176.300 -0.092 0.000 0.982 363 D CA 0.829 54.773 54.000 -0.092 0.000 0.857 363 D CB -0.482 40.276 40.800 -0.070 0.000 0.934 363 D HN 0.311 nan 8.370 nan 0.000 0.475 364 V N 1.136 120.953 119.914 -0.163 0.000 2.667 364 V HA -0.150 3.970 4.120 -0.000 0.000 0.252 364 V C 2.364 178.444 176.094 -0.023 0.000 1.065 364 V CA 1.813 63.998 62.300 -0.191 0.000 1.083 364 V CB -0.350 31.153 31.823 -0.534 0.000 0.692 364 V HN 0.279 nan 8.190 nan 0.000 0.468 365 S N -0.909 114.787 115.700 -0.007 0.000 2.556 365 S HA 0.079 4.548 4.470 -0.000 0.000 0.216 365 S C 0.958 175.580 174.600 0.037 0.000 0.970 365 S CA 0.415 58.678 58.200 0.104 0.000 0.912 365 S CB -0.416 62.772 63.200 -0.020 0.000 0.790 365 S HN 0.563 nan 8.310 nan 0.000 0.504 366 N N 2.278 120.978 118.700 0.000 0.000 2.783 366 N HA -0.194 4.545 4.740 -0.000 0.000 0.247 366 N C 0.041 175.531 175.510 -0.033 0.000 1.089 366 N CA 0.858 53.904 53.050 -0.006 0.000 0.690 366 N CB -1.400 37.099 38.487 0.020 0.000 0.991 366 N HN 0.500 nan 8.380 nan 0.000 0.552 367 R N -2.110 118.348 120.500 -0.070 0.000 3.954 367 R HA -0.209 4.131 4.340 -0.000 0.000 0.422 367 R C 0.833 177.074 176.300 -0.097 0.000 1.091 367 R CA 1.482 57.531 56.100 -0.085 0.000 1.168 367 R CB -1.848 28.421 30.300 -0.052 0.000 1.752 367 R HN 0.623 nan 8.270 nan 0.000 0.547 368 K N 0.735 121.074 120.400 -0.102 0.000 2.442 368 K HA 0.028 4.348 4.320 -0.000 0.000 0.198 368 K C 0.754 177.249 176.600 -0.176 0.000 1.042 368 K CA 1.077 57.307 56.287 -0.095 0.000 0.958 368 K CB 0.306 32.769 32.500 -0.061 0.000 0.766 368 K HN -0.031 nan 8.250 nan 0.000 0.474 369 V N -0.183 119.555 119.914 -0.294 0.000 2.925 369 V HA 0.593 4.713 4.120 -0.000 0.000 0.311 369 V C -0.589 175.328 176.094 -0.295 0.000 1.104 369 V CA -0.955 61.100 62.300 -0.409 0.000 0.954 369 V CB 1.853 33.091 31.823 -0.976 0.000 1.022 369 V HN 0.129 nan 8.190 nan 0.000 0.427 370 A N 1.710 124.419 122.820 -0.184 0.000 2.486 370 A HA 0.957 5.277 4.320 -0.000 0.000 0.277 370 A C -1.045 176.514 177.584 -0.042 0.000 1.282 370 A CA -0.508 51.467 52.037 -0.103 0.000 0.784 370 A CB 1.689 20.656 19.000 -0.056 0.000 1.350 370 A HN 0.881 nan 8.150 nan 0.000 0.454 371 c N -0.949 117.650 118.600 -0.003 0.000 2.898 371 c HA 0.918 5.488 4.570 -0.000 0.000 0.304 371 c C 0.011 174.128 174.090 0.043 0.000 1.237 371 c CA -0.169 56.189 56.329 0.048 0.000 1.529 371 c CB 1.076 43.617 42.510 0.052 0.000 2.021 371 c HN 1.371 nan 8.230 nan 0.000 0.474 372 A N 1.863 124.720 122.820 0.061 0.000 2.414 372 A HA 0.860 5.180 4.320 -0.000 0.000 0.286 372 A C -0.363 177.240 177.584 0.031 0.000 1.073 372 A CA -0.073 51.984 52.037 0.033 0.000 0.727 372 A CB 1.140 20.150 19.000 0.017 0.000 1.215 372 A HN 1.334 nan 8.150 nan 0.000 0.430 373 S N 1.392 117.104 115.700 0.019 0.000 2.745 373 S HA 1.020 5.490 4.470 -0.000 0.000 0.306 373 S C -0.182 174.412 174.600 -0.011 0.000 1.137 373 S CA -0.012 58.194 58.200 0.009 0.000 0.900 373 S CB 1.927 65.137 63.200 0.016 0.000 1.176 373 S HN 2.592 nan 8.310 nan 0.000 0.520 374 A N 0.165 122.969 122.820 -0.026 0.000 2.456 374 A HA 0.648 4.968 4.320 -0.000 0.000 0.294 374 A C 0.288 177.835 177.584 -0.061 0.000 1.057 374 A CA -0.083 51.931 52.037 -0.038 0.000 0.623 374 A CB -0.184 18.793 19.000 -0.039 0.000 1.338 374 A HN 1.298 nan 8.150 nan 0.000 0.464 375 S N -0.229 115.430 115.700 -0.068 0.000 2.527 375 S HA 0.275 4.744 4.470 -0.000 0.000 0.222 375 S C 0.678 175.202 174.600 -0.127 0.000 0.985 375 S CA 1.102 59.245 58.200 -0.094 0.000 0.921 375 S CB -0.424 62.729 63.200 -0.079 0.000 0.772 375 S HN 1.885 nan 8.310 nan 0.000 0.529 376 T N -2.001 112.482 114.554 -0.117 0.000 3.032 376 T HA 0.375 4.725 4.350 -0.000 0.000 0.312 376 T C 0.695 175.299 174.700 -0.160 0.000 1.078 376 T CA -0.539 61.475 62.100 -0.143 0.000 1.028 376 T CB 1.393 70.201 68.868 -0.101 0.000 1.091 376 T HN -0.143 nan 8.240 nan 0.000 0.457 377 T N 2.462 116.856 114.554 -0.267 0.000 2.684 377 T HA -0.218 4.132 4.350 -0.000 0.000 0.267 377 T C 1.833 176.419 174.700 -0.190 0.000 1.032 377 T CA 2.325 64.196 62.100 -0.381 0.000 1.155 377 T CB -0.389 67.890 68.868 -0.982 0.000 0.857 377 T HN 0.807 nan 8.240 nan 0.000 0.457 378 E N 1.425 121.585 120.200 -0.067 0.000 2.035 378 E HA -0.207 4.142 4.350 -0.000 0.000 0.204 378 E C 2.064 178.658 176.600 -0.010 0.000 1.025 378 E CA 1.440 57.865 56.400 0.042 0.000 0.835 378 E CB -0.794 28.930 29.700 0.040 0.000 0.764 378 E HN 0.630 nan 8.360 nan 0.000 0.457 379 E N 0.081 120.260 120.200 -0.036 0.000 2.095 379 E HA -0.244 4.106 4.350 -0.000 0.000 0.212 379 E C 2.201 178.774 176.600 -0.045 0.000 1.044 379 E CA 1.963 58.340 56.400 -0.039 0.000 0.857 379 E CB -0.297 29.373 29.700 -0.051 0.000 0.764 379 E HN 0.242 nan 8.360 nan 0.000 0.462 380 c N 0.223 118.780 118.600 -0.071 0.000 2.432 380 c HA -0.072 4.497 4.570 -0.000 0.000 0.282 380 c C 2.479 176.525 174.090 -0.075 0.000 1.388 380 c CA 0.073 56.355 56.329 -0.079 0.000 1.777 380 c CB -0.869 41.577 42.510 -0.107 0.000 1.882 380 c HN 0.387 nan 8.230 nan 0.000 0.520 381 I N 0.873 121.412 120.570 -0.052 0.000 2.252 381 I HA -0.159 4.011 4.170 -0.000 0.000 0.245 381 I C 2.781 178.889 176.117 -0.015 0.000 1.102 381 I CA 1.559 62.843 61.300 -0.027 0.000 1.385 381 I CB -0.780 37.230 38.000 0.018 0.000 1.064 381 I HN 0.268 nan 8.210 nan 0.000 0.414 382 A N 1.378 124.194 122.820 -0.006 0.000 1.865 382 A HA -0.191 4.129 4.320 -0.000 0.000 0.217 382 A C 2.340 179.925 177.584 0.002 0.000 1.191 382 A CA 1.357 53.397 52.037 0.005 0.000 0.623 382 A CB -0.983 18.022 19.000 0.008 0.000 0.826 382 A HN 0.356 nan 8.150 nan 0.000 0.444 383 L N -0.527 120.690 121.223 -0.010 0.000 2.051 383 L HA -0.245 4.094 4.340 -0.000 0.000 0.214 383 L C 2.593 179.455 176.870 -0.012 0.000 1.076 383 L CA 1.565 56.400 54.840 -0.009 0.000 0.758 383 L CB -0.551 41.495 42.059 -0.021 0.000 0.890 383 L HN 0.299 nan 8.230 nan 0.000 0.433 384 V N -0.045 119.850 119.914 -0.031 0.000 2.307 384 V HA -0.297 3.823 4.120 -0.000 0.000 0.245 384 V C 2.400 178.488 176.094 -0.009 0.000 1.045 384 V CA 1.593 63.873 62.300 -0.034 0.000 1.024 384 V CB -0.283 31.504 31.823 -0.060 0.000 0.651 384 V HN 0.344 nan 8.190 nan 0.000 0.449 385 L N -0.494 120.728 121.223 -0.001 0.000 2.051 385 L HA -0.291 4.049 4.340 -0.000 0.000 0.214 385 L C 2.533 179.419 176.870 0.026 0.000 1.076 385 L CA 1.947 56.796 54.840 0.014 0.000 0.758 385 L CB -0.613 41.459 42.059 0.021 0.000 0.890 385 L HN 0.307 nan 8.230 nan 0.000 0.433 386 K N -0.790 119.629 120.400 0.030 0.000 2.228 386 K HA 0.031 4.351 4.320 -0.000 0.000 0.202 386 K C 1.216 177.844 176.600 0.046 0.000 1.051 386 K CA 0.704 57.020 56.287 0.048 0.000 0.960 386 K CB 0.179 32.712 32.500 0.054 0.000 0.743 386 K HN 0.457 nan 8.250 nan 0.000 0.458 387 G N 1.158 109.975 108.800 0.029 0.000 2.134 387 G HA2 -0.244 3.715 3.960 -0.000 0.000 0.209 387 G HA3 -0.244 3.715 3.960 -0.000 0.000 0.209 387 G C 0.422 175.338 174.900 0.027 0.000 0.993 387 G CA 0.311 45.427 45.100 0.027 0.000 0.669 387 G HN 0.368 nan 8.290 nan 0.000 0.519 388 E N -0.378 119.837 120.200 0.024 0.000 2.318 388 E HA 0.490 4.839 4.350 -0.000 0.000 0.193 388 E C 1.307 177.913 176.600 0.010 0.000 0.998 388 E CA 0.804 57.217 56.400 0.023 0.000 0.859 388 E CB 0.266 29.979 29.700 0.023 0.000 0.812 388 E HN 0.807 nan 8.360 nan 0.000 0.492 389 A N 0.273 123.091 122.820 -0.003 0.000 2.386 389 A HA 0.297 4.616 4.320 -0.000 0.000 0.311 389 A C -0.341 177.221 177.584 -0.037 0.000 1.068 389 A CA -0.711 51.311 52.037 -0.024 0.000 0.743 389 A CB 1.333 20.304 19.000 -0.049 0.000 1.258 389 A HN -0.060 nan 8.150 nan 0.000 0.429 390 D N 0.484 120.859 120.400 -0.043 0.000 2.269 390 D HA 0.390 5.030 4.640 -0.000 0.000 0.220 390 D C 0.753 176.979 176.300 -0.123 0.000 0.962 390 D CA 1.781 55.757 54.000 -0.040 0.000 0.884 390 D CB 0.640 41.450 40.800 0.018 0.000 1.023 390 D HN 0.822 nan 8.370 nan 0.000 0.484 391 A N -0.180 122.486 122.820 -0.257 0.000 2.566 391 A HA 0.590 4.909 4.320 -0.000 0.000 0.290 391 A C -2.030 174.832 177.584 -1.203 0.000 1.071 391 A CA -0.670 51.053 52.037 -0.524 0.000 0.658 391 A CB 1.216 19.976 19.000 -0.399 0.000 1.285 391 A HN 0.101 nan 8.150 nan 0.000 0.427 392 L N -2.092 118.465 121.223 -1.110 0.000 2.940 392 L HA 0.666 5.006 4.340 -0.000 0.000 0.270 392 L C -0.801 175.843 176.870 -0.376 0.000 1.030 392 L CA -0.868 53.301 54.840 -1.119 0.000 0.928 392 L CB 0.803 42.500 42.059 -0.604 0.000 1.506 392 L HN 0.592 nan 8.230 nan 0.000 0.405 393 N N 0.632 119.294 118.700 -0.064 0.000 2.520 393 N HA 0.655 5.395 4.740 -0.000 0.000 0.273 393 N C -1.262 174.265 175.510 0.030 0.000 1.155 393 N CA -0.022 53.066 53.050 0.063 0.000 0.967 393 N CB 0.569 39.036 38.487 -0.034 0.000 1.092 393 N HN 0.728 nan 8.380 nan 0.000 0.457 394 L N 1.199 122.476 121.223 0.091 0.000 2.350 394 L HA 0.399 4.739 4.340 -0.000 0.000 0.260 394 L C -0.505 176.434 176.870 0.115 0.000 1.015 394 L CA -1.039 53.855 54.840 0.090 0.000 0.821 394 L CB 2.151 44.268 42.059 0.097 0.000 1.370 394 L HN 0.503 nan 8.230 nan 0.000 0.416 395 D N -0.236 120.195 120.400 0.052 0.000 2.228 395 D HA 0.350 4.990 4.640 -0.000 0.000 0.247 395 D C 1.160 177.499 176.300 0.065 0.000 0.995 395 D CA 0.080 53.961 54.000 -0.199 0.000 0.903 395 D CB 2.172 42.745 40.800 -0.378 0.000 1.205 395 D HN 0.586 nan 8.370 nan 0.000 0.459 396 G N 1.962 110.823 108.800 0.102 0.000 2.596 396 G HA2 -0.324 3.636 3.960 -0.000 0.000 0.223 396 G HA3 -0.324 3.636 3.960 -0.000 0.000 0.223 396 G C 1.348 176.369 174.900 0.203 0.000 1.120 396 G CA 1.112 46.363 45.100 0.252 0.000 0.752 396 G HN 0.626 nan 8.290 nan 0.000 0.596 397 G N -0.166 108.709 108.800 0.126 0.000 2.422 397 G HA2 -0.072 3.887 3.960 -0.000 0.000 0.218 397 G HA3 -0.072 3.887 3.960 -0.000 0.000 0.218 397 G C 1.503 176.175 174.900 -0.379 0.000 1.146 397 G CA 0.793 45.831 45.100 -0.104 0.000 0.769 397 G HN 0.428 nan 8.290 nan 0.000 0.547 398 F N 0.012 119.960 119.950 -0.004 0.000 2.619 398 F HA 0.369 4.896 4.527 -0.000 0.000 0.293 398 F C 2.388 178.187 175.800 -0.002 0.000 1.119 398 F CA -0.334 57.658 58.000 -0.013 0.000 1.445 398 F CB 0.075 39.057 39.000 -0.030 0.000 1.119 398 F HN 0.022 nan 8.300 nan 0.000 0.573 399 I N -0.596 120.045 120.570 0.118 0.000 2.127 399 I HA -0.386 3.784 4.170 -0.000 0.000 0.241 399 I C 2.490 178.588 176.117 -0.031 0.000 1.075 399 I CA 1.658 63.002 61.300 0.072 0.000 1.334 399 I CB -0.493 37.590 38.000 0.137 0.000 1.040 399 I HN 0.158 nan 8.210 nan 0.000 0.405 400 Y N 1.403 121.575 120.300 -0.214 0.000 2.151 400 Y HA -0.273 4.276 4.550 -0.001 0.000 0.284 400 Y C 2.316 177.962 175.900 -0.424 0.000 1.166 400 Y CA 1.798 59.645 58.100 -0.422 0.000 1.163 400 Y CB -0.647 37.558 38.460 -0.425 0.000 0.974 400 Y HN -0.089 nan 8.280 nan 0.000 0.511 401 V N 0.317 120.274 119.914 0.071 0.000 2.302 401 V HA -0.209 3.911 4.120 -0.000 0.000 0.243 401 V C 2.757 178.809 176.094 -0.069 0.000 1.036 401 V CA 1.578 63.900 62.300 0.036 0.000 1.020 401 V CB -1.645 30.197 31.823 0.030 0.000 0.657 401 V HN 0.535 nan 8.190 nan 0.000 0.453 402 A N 0.864 123.671 122.820 -0.020 0.000 1.915 402 A HA -0.272 4.047 4.320 -0.000 0.000 0.220 402 A C 2.406 179.965 177.584 -0.042 0.000 1.198 402 A CA 2.561 54.592 52.037 -0.011 0.000 0.647 402 A CB -1.477 17.531 19.000 0.013 0.000 0.825 402 A HN 0.569 nan 8.150 nan 0.000 0.456 403 G N -0.767 107.959 108.800 -0.124 0.000 2.418 403 G HA2 -0.239 3.721 3.960 -0.000 0.000 0.217 403 G HA3 -0.239 3.721 3.960 -0.000 0.000 0.217 403 G C 1.627 176.486 174.900 -0.069 0.000 1.158 403 G CA 1.059 46.139 45.100 -0.033 0.000 0.771 403 G HN 0.530 nan 8.290 nan 0.000 0.545 404 K N -0.147 120.039 120.400 -0.356 0.000 2.103 404 K HA -0.076 4.244 4.320 -0.000 0.000 0.207 404 K C 2.118 178.698 176.600 -0.033 0.000 1.048 404 K CA 0.964 57.133 56.287 -0.196 0.000 0.930 404 K CB -0.465 31.888 32.500 -0.246 0.000 0.716 404 K HN 0.327 nan 8.250 nan 0.000 0.444 405 c N 0.807 119.393 118.600 -0.024 0.000 2.551 405 c HA 0.158 4.728 4.570 -0.000 0.000 0.284 405 c C 1.443 175.546 174.090 0.022 0.000 1.329 405 c CA 0.303 56.638 56.329 0.010 0.000 1.683 405 c CB -1.381 41.137 42.510 0.014 0.000 1.730 405 c HN 0.742 nan 8.230 nan 0.000 0.591 406 G N 0.439 109.264 108.800 0.041 0.000 2.159 406 G HA2 -0.224 3.736 3.960 -0.000 0.000 0.256 406 G HA3 -0.224 3.736 3.960 -0.000 0.000 0.256 406 G C 0.050 174.974 174.900 0.039 0.000 0.977 406 G CA -0.115 45.011 45.100 0.042 0.000 0.652 406 G HN 0.529 nan 8.290 nan 0.000 0.531 407 L N 0.319 121.566 121.223 0.040 0.000 2.421 407 L HA 0.702 5.042 4.340 -0.000 0.000 0.263 407 L C 0.958 177.855 176.870 0.045 0.000 1.122 407 L CA -0.996 53.861 54.840 0.027 0.000 0.804 407 L CB 1.459 43.524 42.059 0.009 0.000 1.150 407 L HN 0.206 nan 8.230 nan 0.000 0.457 408 V N -0.824 119.105 119.914 0.025 0.000 2.823 408 V HA 0.576 4.696 4.120 -0.000 0.000 0.312 408 V C -2.568 173.524 176.094 -0.003 0.000 1.072 408 V CA -2.317 59.999 62.300 0.027 0.000 0.937 408 V CB 1.502 33.338 31.823 0.021 0.000 1.013 408 V HN 0.570 nan 8.190 nan 0.000 0.430 409 P HA 0.293 nan 4.420 nan 0.000 0.282 409 P C 0.188 177.448 177.300 -0.067 0.000 1.262 409 P CA 0.114 63.152 63.100 -0.103 0.000 0.773 409 P CB 2.116 33.660 31.700 -0.260 0.000 0.879 410 V N 4.487 124.375 119.914 -0.043 0.000 2.597 410 V HA 0.057 4.177 4.120 -0.000 0.000 0.220 410 V C 1.215 177.293 176.094 -0.027 0.000 1.134 410 V CA 0.781 63.070 62.300 -0.018 0.000 1.159 410 V CB -0.647 31.176 31.823 -0.000 0.000 0.788 410 V HN 0.355 nan 8.190 nan 0.000 0.502 411 L N 0.205 121.418 121.223 -0.016 0.000 2.343 411 L HA 0.695 5.035 4.340 -0.000 0.000 0.275 411 L C -0.046 176.844 176.870 0.033 0.000 1.056 411 L CA -0.089 54.743 54.840 -0.013 0.000 0.804 411 L CB 1.214 43.225 42.059 -0.079 0.000 1.203 411 L HN 0.349 nan 8.230 nan 0.000 0.440 412 A N 1.405 124.260 122.820 0.058 0.000 2.303 412 A HA 0.439 4.759 4.320 -0.000 0.000 0.317 412 A C -0.397 177.240 177.584 0.088 0.000 1.149 412 A CA -0.494 51.607 52.037 0.107 0.000 0.822 412 A CB 0.676 19.791 19.000 0.192 0.000 1.131 412 A HN 0.723 nan 8.150 nan 0.000 0.493 413 E N 1.027 121.296 120.200 0.117 0.000 2.223 413 E HA 0.155 4.505 4.350 -0.000 0.000 0.282 413 E C -1.038 175.566 176.600 0.007 0.000 1.046 413 E CA -0.261 56.150 56.400 0.018 0.000 0.857 413 E CB 0.372 30.119 29.700 0.078 0.000 1.055 413 E HN 0.534 nan 8.360 nan 0.000 0.409 414 N N 4.027 122.681 118.700 -0.076 0.000 2.518 414 N HA 0.018 4.758 4.740 -0.000 0.000 0.254 414 N C -0.798 174.659 175.510 -0.088 0.000 0.979 414 N CA -0.513 52.512 53.050 -0.043 0.000 0.930 414 N CB 0.999 39.472 38.487 -0.024 0.000 1.152 414 N HN 0.460 nan 8.380 nan 0.000 0.505 415 Q N 1.606 121.373 119.800 -0.056 0.000 2.479 415 Q HA 0.026 4.365 4.340 -0.000 0.000 0.267 415 Q C -0.633 175.330 176.000 -0.060 0.000 1.071 415 Q CA 0.328 56.087 55.803 -0.073 0.000 0.935 415 Q CB 0.765 29.473 28.738 -0.050 0.000 1.295 415 Q HN 0.358 nan 8.270 nan 0.000 0.476 416 K N 2.093 122.456 120.400 -0.061 0.000 2.360 416 K HA 0.127 4.447 4.320 -0.000 0.000 0.225 416 K C -0.064 176.516 176.600 -0.035 0.000 1.246 416 K CA -0.133 56.129 56.287 -0.042 0.000 1.198 416 K CB -0.173 32.305 32.500 -0.037 0.000 1.348 416 K HN 0.437 nan 8.250 nan 0.000 0.232 417 S N 1.593 117.276 115.700 -0.029 0.000 2.680 417 S HA -0.005 4.465 4.470 -0.000 0.000 0.249 417 S C 0.153 174.742 174.600 -0.018 0.000 1.358 417 S CA -0.254 57.934 58.200 -0.021 0.000 0.963 417 S CB 0.291 63.483 63.200 -0.012 0.000 0.984 417 S HN 0.388 nan 8.310 nan 0.000 0.584 418 Q N 0.743 120.534 119.800 -0.014 0.000 2.275 418 Q HA 0.584 4.924 4.340 -0.000 0.000 0.266 418 Q C -0.157 175.839 176.000 -0.007 0.000 1.002 418 Q CA -0.526 55.270 55.803 -0.011 0.000 0.761 418 Q CB 1.384 30.114 28.738 -0.013 0.000 1.255 418 Q HN 0.540 nan 8.270 nan 0.000 0.446 419 N N 0.148 118.845 118.700 -0.005 0.000 2.634 419 N HA 0.051 4.791 4.740 -0.000 0.000 0.368 419 N C -0.917 174.593 175.510 -0.000 0.000 0.565 419 N CA 0.397 53.447 53.050 -0.001 0.000 1.708 419 N CB 0.306 38.794 38.487 0.002 0.000 1.280 419 N HN 0.434 nan 8.380 nan 0.000 1.867 420 S N 0.947 116.648 115.700 0.001 0.000 2.511 420 S HA 0.388 4.857 4.470 -0.000 0.000 0.233 420 S C -1.107 173.493 174.600 0.001 0.000 1.104 420 S CA -0.791 57.410 58.200 0.002 0.000 1.129 420 S CB 0.398 63.601 63.200 0.006 0.000 1.159 420 S HN 0.147 nan 8.310 nan 0.000 0.451 421 N N 2.377 121.075 118.700 -0.003 0.000 3.115 421 N HA 0.218 4.957 4.740 -0.000 0.000 0.305 421 N C 0.664 176.171 175.510 -0.005 0.000 1.305 421 N CA 0.159 53.206 53.050 -0.006 0.000 1.154 421 N CB 0.380 38.861 38.487 -0.009 0.000 1.454 421 N HN 0.825 nan 8.380 nan 0.000 0.551 422 A N 1.574 124.393 122.820 -0.001 0.000 2.301 422 A HA 0.369 4.689 4.320 -0.000 0.000 0.287 422 A C -1.257 176.324 177.584 -0.004 0.000 1.274 422 A CA -0.988 51.050 52.037 0.001 0.000 0.865 422 A CB -0.139 18.866 19.000 0.009 0.000 1.324 422 A HN 0.074 nan 8.150 nan 0.000 0.508 423 P HA -0.058 nan 4.420 nan 0.000 0.274 423 P C -0.403 176.864 177.300 -0.054 0.000 1.370 423 P CA 0.775 63.859 63.100 -0.026 0.000 0.760 423 P CB -0.339 31.356 31.700 -0.009 0.000 1.308 424 D N -0.405 119.987 120.400 -0.013 0.000 2.104 424 D HA -0.181 4.459 4.640 -0.000 0.000 0.194 424 D C 2.083 178.344 176.300 -0.066 0.000 0.994 424 D CA 1.021 55.021 54.000 -0.001 0.000 0.830 424 D CB -1.146 39.664 40.800 0.017 0.000 0.959 424 D HN 0.168 nan 8.370 nan 0.000 0.452 425 c N 0.379 118.942 118.600 -0.061 0.000 2.326 425 c HA -0.277 4.293 4.570 -0.000 0.000 0.269 425 c C 2.753 176.780 174.090 -0.105 0.000 1.140 425 c CA 1.631 57.925 56.329 -0.059 0.000 1.798 425 c CB -1.070 41.416 42.510 -0.041 0.000 2.053 425 c HN 0.238 nan 8.230 nan 0.000 0.438 426 V N 0.158 119.939 119.914 -0.223 0.000 2.317 426 V HA -0.290 3.830 4.120 -0.000 0.000 0.251 426 V C 2.024 177.903 176.094 -0.359 0.000 1.065 426 V CA 2.904 65.011 62.300 -0.321 0.000 1.049 426 V CB -1.209 30.279 31.823 -0.559 0.000 0.651 426 V HN 0.774 nan 8.190 nan 0.000 0.450 427 H N -1.539 117.568 119.070 0.063 0.000 2.595 427 H HA 0.223 4.778 4.556 -0.000 0.000 0.265 427 H C 1.444 176.803 175.328 0.053 0.000 0.953 427 H CA -0.274 55.809 56.048 0.058 0.000 1.197 427 H CB 0.112 29.896 29.762 0.036 0.000 1.438 427 H HN 0.276 nan 8.280 nan 0.000 0.531 428 R N 2.827 123.361 120.500 0.057 0.000 2.494 428 R HA -0.006 4.334 4.340 -0.000 0.000 0.291 428 R C -2.701 173.634 176.300 0.059 0.000 0.953 428 R CA -1.161 54.970 56.100 0.051 0.000 1.098 428 R CB 0.181 30.491 30.300 0.017 0.000 0.911 428 R HN 0.023 nan 8.270 nan 0.000 0.407 429 P HA 0.160 nan 4.420 nan 0.000 0.276 429 P C -2.451 174.873 177.300 0.040 0.000 1.235 429 P CA -1.311 61.821 63.100 0.054 0.000 0.772 429 P CB 0.805 32.528 31.700 0.040 0.000 0.871 430 P HA -0.063 nan 4.420 nan 0.000 0.261 430 P C 0.362 177.669 177.300 0.012 0.000 1.183 430 P CA 0.549 63.680 63.100 0.051 0.000 0.761 430 P CB 0.252 32.009 31.700 0.094 0.000 0.785 431 E N 2.850 123.054 120.200 0.006 0.000 2.498 431 E HA 0.325 4.675 4.350 -0.000 0.000 0.203 431 E C 0.886 177.464 176.600 -0.037 0.000 1.013 431 E CA -0.203 56.187 56.400 -0.016 0.000 0.927 431 E CB -0.066 29.629 29.700 -0.009 0.000 1.012 431 E HN 0.490 nan 8.360 nan 0.000 0.482 432 G N 1.443 110.226 108.800 -0.029 0.000 2.660 432 G HA2 -0.161 3.798 3.960 -0.000 0.000 0.247 432 G HA3 -0.161 3.798 3.960 -0.000 0.000 0.247 432 G C -1.064 173.865 174.900 0.047 0.000 1.328 432 G CA -0.414 44.641 45.100 -0.075 0.000 0.884 432 G HN 0.486 nan 8.290 nan 0.000 0.531 433 Y N -2.503 117.764 120.300 -0.055 0.000 2.521 433 Y HA 0.709 5.259 4.550 -0.000 0.000 0.332 433 Y C -0.745 175.096 175.900 -0.098 0.000 1.121 433 Y CA -2.085 55.976 58.100 -0.066 0.000 1.037 433 Y CB 0.619 39.063 38.460 -0.027 0.000 1.330 433 Y HN 0.723 nan 8.280 nan 0.000 0.452 434 L N 4.066 125.378 121.223 0.148 0.000 2.265 434 L HA 0.802 5.142 4.340 -0.000 0.000 0.288 434 L C 0.395 177.340 176.870 0.125 0.000 1.058 434 L CA -1.052 53.802 54.840 0.023 0.000 0.809 434 L CB 1.240 43.233 42.059 -0.110 0.000 1.179 434 L HN 0.908 nan 8.230 nan 0.000 0.429 435 A N 4.347 127.264 122.820 0.161 0.000 2.320 435 A HA 0.639 4.959 4.320 -0.000 0.000 0.287 435 A C -0.035 177.652 177.584 0.173 0.000 1.181 435 A CA -0.452 51.706 52.037 0.202 0.000 0.831 435 A CB 0.685 19.822 19.000 0.227 0.000 1.102 435 A HN 0.582 nan 8.150 nan 0.000 0.513 436 V N -0.657 119.346 119.914 0.149 0.000 3.046 436 V HA 0.932 5.051 4.120 -0.000 0.000 0.316 436 V C 0.176 176.344 176.094 0.123 0.000 1.104 436 V CA -0.612 61.761 62.300 0.121 0.000 1.006 436 V CB 1.561 33.419 31.823 0.059 0.000 1.058 436 V HN 1.470 nan 8.190 nan 0.000 0.440 437 A N 2.117 124.994 122.820 0.095 0.000 2.256 437 A HA 0.783 5.102 4.320 -0.000 0.000 0.317 437 A C -0.445 177.149 177.584 0.017 0.000 1.318 437 A CA -0.518 51.551 52.037 0.053 0.000 0.894 437 A CB 0.438 19.552 19.000 0.188 0.000 1.165 437 A HN 1.219 nan 8.150 nan 0.000 0.525 438 V N 3.402 123.288 119.914 -0.046 0.000 2.483 438 V HA 0.735 4.855 4.120 -0.000 0.000 0.295 438 V C 0.261 176.386 176.094 0.052 0.000 1.035 438 V CA -0.337 61.992 62.300 0.048 0.000 0.896 438 V CB 1.013 32.901 31.823 0.109 0.000 0.986 438 V HN 1.186 nan 8.190 nan 0.000 0.447 439 V N 1.952 121.953 119.914 0.145 0.000 3.226 439 V HA 0.644 4.764 4.120 -0.000 0.000 0.304 439 V C -0.783 175.420 176.094 0.182 0.000 1.336 439 V CA -1.564 60.813 62.300 0.128 0.000 1.066 439 V CB 2.259 34.111 31.823 0.050 0.000 1.087 439 V HN 0.764 nan 8.190 nan 0.000 0.451 440 R N 1.216 121.770 120.500 0.089 0.000 2.288 440 R HA 0.279 4.619 4.340 -0.000 0.000 0.330 440 R C 1.083 177.353 176.300 -0.050 0.000 1.069 440 R CA -0.135 55.947 56.100 -0.030 0.000 0.941 440 R CB 0.760 31.028 30.300 -0.054 0.000 0.998 440 R HN 0.860 nan 8.270 nan 0.000 0.452 441 K N 2.722 123.071 120.400 -0.085 0.000 2.127 441 K HA -0.327 3.992 4.320 -0.000 0.000 0.212 441 K C 1.785 178.354 176.600 -0.052 0.000 1.050 441 K CA 2.452 58.707 56.287 -0.053 0.000 0.929 441 K CB -0.570 31.883 32.500 -0.077 0.000 0.715 441 K HN 0.502 nan 8.250 nan 0.000 0.457 442 S N 0.461 116.109 115.700 -0.087 0.000 2.412 442 S HA -0.248 4.222 4.470 -0.000 0.000 0.246 442 S C -0.099 174.480 174.600 -0.034 0.000 1.073 442 S CA 1.965 60.126 58.200 -0.065 0.000 1.186 442 S CB -0.986 62.167 63.200 -0.078 0.000 1.084 442 S HN 0.590 nan 8.310 nan 0.000 0.434 443 D N 1.147 121.531 120.400 -0.026 0.000 2.455 443 D HA 0.568 5.208 4.640 -0.000 0.000 0.234 443 D C 0.524 176.826 176.300 0.003 0.000 1.224 443 D CA 0.659 54.655 54.000 -0.007 0.000 0.999 443 D CB 0.831 41.631 40.800 -0.001 0.000 1.072 443 D HN 0.414 nan 8.370 nan 0.000 0.514 444 A N 1.977 124.799 122.820 0.003 0.000 2.085 444 A HA 0.006 4.325 4.320 -0.000 0.000 0.208 444 A C 1.520 179.116 177.584 0.019 0.000 1.191 444 A CA 0.119 52.163 52.037 0.012 0.000 0.799 444 A CB 0.065 19.069 19.000 0.007 0.000 0.877 444 A HN 0.321 nan 8.150 nan 0.000 0.473 445 D N -0.108 120.301 120.400 0.015 0.000 2.203 445 D HA -0.130 4.510 4.640 -0.000 0.000 0.199 445 D C 0.792 177.107 176.300 0.025 0.000 0.997 445 D CA 0.736 54.746 54.000 0.016 0.000 0.863 445 D CB -0.326 40.480 40.800 0.011 0.000 0.928 445 D HN 0.390 nan 8.370 nan 0.000 0.458 446 L N 0.153 121.392 121.223 0.027 0.000 2.485 446 L HA 0.211 4.551 4.340 -0.000 0.000 0.275 446 L C 0.320 177.226 176.870 0.060 0.000 1.207 446 L CA 0.931 55.795 54.840 0.039 0.000 0.855 446 L CB 0.754 42.835 42.059 0.037 0.000 1.114 446 L HN -0.087 nan 8.230 nan 0.000 0.485 447 T N 3.661 118.260 114.554 0.074 0.000 2.654 447 T HA 0.174 4.523 4.350 -0.000 0.000 0.289 447 T C 0.153 174.942 174.700 0.148 0.000 1.062 447 T CA -0.251 61.922 62.100 0.122 0.000 1.041 447 T CB 0.202 69.140 68.868 0.116 0.000 1.417 447 T HN 0.709 nan 8.240 nan 0.000 0.510 448 W N 1.159 122.516 121.300 0.094 0.000 2.476 448 W HA 0.026 4.685 4.660 -0.001 0.000 0.281 448 W C 0.854 177.461 176.519 0.146 0.000 1.230 448 W CA 0.979 58.403 57.345 0.131 0.000 1.287 448 W CB -0.203 29.320 29.460 0.106 0.000 1.108 448 W HN 0.692 nan 8.180 nan 0.000 0.567 449 N N 0.238 118.979 118.700 0.068 0.000 2.515 449 N HA -0.124 4.616 4.740 -0.000 0.000 0.185 449 N C 1.631 177.113 175.510 -0.047 0.000 1.109 449 N CA 1.520 54.571 53.050 0.002 0.000 0.903 449 N CB -0.099 38.439 38.487 0.085 0.000 0.969 449 N HN 0.026 nan 8.380 nan 0.000 0.450 450 S N -0.387 115.288 115.700 -0.042 0.000 2.517 450 S HA 0.157 4.627 4.470 -0.000 0.000 0.214 450 S C 1.499 176.068 174.600 -0.051 0.000 0.991 450 S CA -0.170 58.009 58.200 -0.036 0.000 0.906 450 S CB -0.277 62.924 63.200 0.001 0.000 0.789 450 S HN 0.156 nan 8.310 nan 0.000 0.513 451 L N 2.256 123.453 121.223 -0.045 0.000 2.556 451 L HA 0.008 4.347 4.340 -0.000 0.000 0.230 451 L C 1.392 178.202 176.870 -0.099 0.000 1.163 451 L CA 0.288 55.191 54.840 0.106 0.000 0.819 451 L CB -0.766 41.474 42.059 0.303 0.000 0.939 451 L HN 0.272 nan 8.230 nan 0.000 0.452 452 S N 0.514 115.987 115.700 -0.379 0.000 2.670 452 S HA 0.199 4.669 4.470 -0.000 0.000 0.308 452 S C 1.362 175.710 174.600 -0.420 0.000 1.232 452 S CA 0.594 58.359 58.200 -0.725 0.000 1.126 452 S CB -0.076 62.853 63.200 -0.452 0.000 0.897 452 S HN 0.665 nan 8.310 nan 0.000 0.508 453 G N 4.250 112.762 108.800 -0.481 0.000 2.175 453 G HA2 -0.229 3.731 3.960 -0.000 0.000 0.265 453 G HA3 -0.229 3.731 3.960 -0.000 0.000 0.265 453 G C 0.385 175.304 174.900 0.032 0.000 0.979 453 G CA 0.533 45.534 45.100 -0.164 0.000 0.663 453 G HN 0.626 nan 8.290 nan 0.000 0.533 454 K N -0.038 120.448 120.400 0.143 0.000 2.440 454 K HA 0.409 4.729 4.320 -0.000 0.000 0.252 454 K C 0.786 177.534 176.600 0.246 0.000 1.044 454 K CA -0.401 55.998 56.287 0.186 0.000 0.962 454 K CB 0.346 32.948 32.500 0.170 0.000 1.269 454 K HN 0.219 nan 8.250 nan 0.000 0.505 455 K N 1.355 121.819 120.400 0.106 0.000 2.234 455 K HA 0.156 4.475 4.320 -0.000 0.000 0.282 455 K C -0.326 176.168 176.600 -0.176 0.000 1.039 455 K CA -0.146 56.153 56.287 0.020 0.000 0.928 455 K CB 0.968 33.470 32.500 0.004 0.000 1.039 455 K HN 0.608 nan 8.250 nan 0.000 0.470 456 S N 1.059 116.578 115.700 -0.301 0.000 2.538 456 S HA 0.430 4.900 4.470 -0.000 0.000 0.288 456 S C -0.638 173.700 174.600 -0.436 0.000 1.108 456 S CA -0.971 56.876 58.200 -0.588 0.000 0.971 456 S CB 0.923 63.291 63.200 -1.387 0.000 1.041 456 S HN 0.556 nan 8.310 nan 0.000 0.483 457 c N 4.653 122.997 118.600 -0.426 0.000 2.281 457 c HA 0.604 5.174 4.570 -0.000 0.000 0.323 457 c C -0.226 173.743 174.090 -0.201 0.000 1.270 457 c CA -0.602 55.557 56.329 -0.283 0.000 1.559 457 c CB -0.975 41.366 42.510 -0.282 0.000 2.239 457 c HN 0.862 nan 8.230 nan 0.000 0.488 458 H N 1.750 120.920 119.070 0.167 0.000 2.466 458 H HA 0.207 4.763 4.556 -0.000 0.000 0.338 458 H C 1.200 176.587 175.328 0.098 0.000 1.091 458 H CA -0.008 56.167 56.048 0.213 0.000 1.207 458 H CB 1.712 31.636 29.762 0.271 0.000 1.466 458 H HN 0.739 nan 8.280 nan 0.000 0.493 459 T N 0.614 115.271 114.554 0.172 0.000 2.849 459 T HA 0.031 4.381 4.350 -0.000 0.000 0.270 459 T C 0.964 175.618 174.700 -0.077 0.000 1.066 459 T CA 0.860 62.946 62.100 -0.024 0.000 1.130 459 T CB 0.089 68.881 68.868 -0.127 0.000 0.864 459 T HN 0.784 nan 8.240 nan 0.000 0.481 460 G N -0.009 108.803 108.800 0.021 0.000 2.404 460 G HA2 0.448 4.408 3.960 -0.000 0.000 0.298 460 G HA3 0.448 4.408 3.960 -0.000 0.000 0.298 460 G C -0.754 174.033 174.900 -0.188 0.000 1.577 460 G CA -0.496 44.598 45.100 -0.010 0.000 0.847 460 G HN 0.745 nan 8.290 nan 0.000 0.598 461 V N -0.365 119.237 119.914 -0.521 0.000 3.441 461 V HA 0.814 4.934 4.120 -0.000 0.000 0.300 461 V C 1.884 177.568 176.094 -0.683 0.000 1.062 461 V CA 0.477 61.960 62.300 -1.362 0.000 1.064 461 V CB 0.718 31.445 31.823 -1.827 0.000 1.197 461 V HN 2.810 nan 8.190 nan 0.000 0.451 462 G N 0.286 108.644 108.800 -0.737 0.000 2.244 462 G HA2 -0.275 3.684 3.960 -0.000 0.000 0.274 462 G HA3 -0.275 3.684 3.960 -0.000 0.000 0.274 462 G C 0.348 175.077 174.900 -0.285 0.000 1.002 462 G CA 1.142 46.011 45.100 -0.384 0.000 0.740 462 G HN 0.907 nan 8.290 nan 0.000 0.516 463 R N -1.167 119.319 120.500 -0.025 0.000 2.778 463 R HA 0.587 4.927 4.340 -0.000 0.000 0.277 463 R C 1.236 177.627 176.300 0.152 0.000 0.977 463 R CA -0.219 55.935 56.100 0.090 0.000 0.950 463 R CB 1.098 31.464 30.300 0.109 0.000 1.165 463 R HN 0.125 nan 8.270 nan 0.000 0.474 464 T N 1.099 115.752 114.554 0.166 0.000 2.559 464 T HA -0.144 4.206 4.350 -0.000 0.000 0.251 464 T C 1.887 176.709 174.700 0.203 0.000 1.122 464 T CA 1.419 63.637 62.100 0.196 0.000 1.231 464 T CB -0.410 68.535 68.868 0.128 0.000 0.881 464 T HN 0.724 nan 8.240 nan 0.000 0.397 465 A N 2.144 125.140 122.820 0.293 0.000 1.887 465 A HA -0.167 4.153 4.320 -0.000 0.000 0.225 465 A C 2.185 179.952 177.584 0.305 0.000 1.464 465 A CA 2.794 55.054 52.037 0.371 0.000 0.717 465 A CB -1.562 17.734 19.000 0.493 0.000 0.848 465 A HN 0.689 nan 8.150 nan 0.000 0.477 466 A N -2.759 120.233 122.820 0.286 0.000 3.707 466 A HA 0.238 4.558 4.320 -0.000 0.000 0.150 466 A C 1.561 179.294 177.584 0.248 0.000 1.404 466 A CA 0.488 52.724 52.037 0.331 0.000 0.977 466 A CB -1.512 17.686 19.000 0.330 0.000 1.174 466 A HN 0.892 nan 8.150 nan 0.000 0.547 467 W N 0.314 121.598 121.300 -0.028 0.000 2.287 467 W HA -0.422 4.238 4.660 -0.000 0.000 0.334 467 W C 1.942 178.369 176.519 -0.153 0.000 1.374 467 W CA 2.823 60.063 57.345 -0.174 0.000 1.207 467 W CB -1.015 28.326 29.460 -0.199 0.000 0.983 467 W HN 0.699 nan 8.180 nan 0.000 0.513 468 N N -0.040 118.756 118.700 0.161 0.000 2.157 468 N HA -0.296 4.443 4.740 -0.000 0.000 0.198 468 N C 1.214 176.725 175.510 0.001 0.000 0.987 468 N CA 3.200 56.279 53.050 0.048 0.000 0.899 468 N CB -1.277 37.327 38.487 0.195 0.000 1.077 468 N HN 0.138 nan 8.380 nan 0.000 0.586 469 I N 0.828 121.430 120.570 0.054 0.000 2.090 469 I HA -0.132 4.038 4.170 -0.000 0.000 0.236 469 I C -0.693 175.420 176.117 -0.007 0.000 1.064 469 I CA 1.287 62.608 61.300 0.035 0.000 1.324 469 I CB -2.701 35.328 38.000 0.049 0.000 1.044 469 I HN 0.152 nan 8.210 nan 0.000 0.399 470 P HA -0.196 nan 4.420 nan 0.000 0.210 470 P C 2.054 179.298 177.300 -0.094 0.000 1.185 470 P CA 1.734 64.832 63.100 -0.004 0.000 0.924 470 P CB -0.179 31.348 31.700 -0.288 0.000 0.786 471 M N -0.638 118.755 119.600 -0.344 0.000 2.108 471 M HA -0.121 4.359 4.480 -0.000 0.000 0.257 471 M C 2.426 178.636 176.300 -0.150 0.000 1.071 471 M CA 2.189 57.244 55.300 -0.409 0.000 1.093 471 M CB -2.250 29.793 32.600 -0.928 0.000 1.345 471 M HN 0.056 nan 8.290 nan 0.000 0.403 472 G N 0.381 109.103 108.800 -0.130 0.000 2.476 472 G HA2 -0.202 3.758 3.960 -0.000 0.000 0.218 472 G HA3 -0.202 3.758 3.960 -0.000 0.000 0.218 472 G C 1.639 176.604 174.900 0.108 0.000 1.164 472 G CA 0.762 45.871 45.100 0.014 0.000 0.768 472 G HN 0.422 nan 8.290 nan 0.000 0.560 473 L N -0.064 121.196 121.223 0.063 0.000 1.970 473 L HA -0.080 4.259 4.340 -0.000 0.000 0.212 473 L C 2.986 179.930 176.870 0.123 0.000 1.071 473 L CA 0.929 55.825 54.840 0.093 0.000 0.751 473 L CB -0.753 41.353 42.059 0.080 0.000 0.889 473 L HN 0.176 nan 8.230 nan 0.000 0.432 474 L N -1.050 120.223 121.223 0.084 0.000 2.127 474 L HA -0.267 4.073 4.340 -0.000 0.000 0.211 474 L C 2.627 179.469 176.870 -0.046 0.000 1.089 474 L CA 1.243 56.029 54.840 -0.090 0.000 0.757 474 L CB -0.560 41.181 42.059 -0.530 0.000 0.899 474 L HN 0.195 nan 8.230 nan 0.000 0.434 475 F N 1.311 121.227 119.950 -0.057 0.000 2.171 475 F HA -0.229 4.297 4.527 -0.001 0.000 0.300 475 F C 2.233 178.033 175.800 -0.001 0.000 1.090 475 F CA 1.783 59.776 58.000 -0.012 0.000 1.293 475 F CB -0.307 38.710 39.000 0.028 0.000 1.013 475 F HN 0.103 nan 8.300 nan 0.000 0.486 476 N N -0.264 118.404 118.700 -0.054 0.000 2.309 476 N HA -0.171 4.569 4.740 -0.000 0.000 0.182 476 N C 1.470 176.910 175.510 -0.117 0.000 1.018 476 N CA 1.379 54.377 53.050 -0.086 0.000 0.876 476 N CB -0.014 38.493 38.487 0.034 0.000 0.972 476 N HN 0.361 nan 8.380 nan 0.000 0.434 477 Q N -1.877 117.881 119.800 -0.070 0.000 2.391 477 Q HA 0.141 4.481 4.340 -0.000 0.000 0.211 477 Q C 1.787 177.747 176.000 -0.068 0.000 0.908 477 Q CA 1.104 56.887 55.803 -0.032 0.000 0.920 477 Q CB 0.356 29.137 28.738 0.072 0.000 1.056 477 Q HN 0.496 nan 8.270 nan 0.000 0.523 478 T N -3.960 110.523 114.554 -0.118 0.000 3.051 478 T HA 0.212 4.562 4.350 -0.000 0.000 0.255 478 T C 1.672 176.263 174.700 -0.182 0.000 1.085 478 T CA 0.551 62.595 62.100 -0.093 0.000 1.109 478 T CB 0.073 68.940 68.868 -0.002 0.000 0.921 478 T HN 0.336 nan 8.240 nan 0.000 0.488 479 G N 0.867 109.453 108.800 -0.357 0.000 2.175 479 G HA2 -0.249 3.711 3.960 -0.000 0.000 0.265 479 G HA3 -0.249 3.711 3.960 -0.000 0.000 0.265 479 G C 0.159 174.909 174.900 -0.250 0.000 0.979 479 G CA 0.592 45.477 45.100 -0.357 0.000 0.663 479 G HN 1.182 nan 8.290 nan 0.000 0.533 480 S N -2.067 113.509 115.700 -0.207 0.000 2.536 480 S HA 0.521 4.990 4.470 -0.000 0.000 0.287 480 S C 0.922 175.490 174.600 -0.053 0.000 1.101 480 S CA 0.127 58.275 58.200 -0.087 0.000 0.950 480 S CB 1.511 64.661 63.200 -0.083 0.000 1.056 480 S HN 0.600 nan 8.310 nan 0.000 0.481 481 c N 3.135 121.678 118.600 -0.095 0.000 2.697 481 c HA 0.292 4.861 4.570 -0.000 0.000 0.267 481 c C 0.931 174.477 174.090 -0.906 0.000 1.278 481 c CA -0.199 55.868 56.329 -0.437 0.000 1.708 481 c CB -1.640 40.740 42.510 -0.217 0.000 1.860 481 c HN 0.748 nan 8.230 nan 0.000 0.589 482 K N 1.365 121.479 120.400 -0.476 0.000 2.449 482 K HA 0.100 4.420 4.320 -0.000 0.000 0.237 482 K C 0.409 176.856 176.600 -0.255 0.000 1.265 482 K CA -0.160 55.943 56.287 -0.307 0.000 1.193 482 K CB -0.315 32.112 32.500 -0.120 0.000 1.515 482 K HN 0.284 nan 8.250 nan 0.000 0.259 483 F N 1.851 121.836 119.950 0.059 0.000 2.111 483 F HA -0.318 4.209 4.527 -0.001 0.000 0.300 483 F C 2.262 178.136 175.800 0.123 0.000 1.088 483 F CA 1.662 59.680 58.000 0.031 0.000 1.243 483 F CB -0.559 38.450 39.000 0.014 0.000 0.996 483 F HN 0.525 nan 8.300 nan 0.000 0.483 484 D N 0.275 120.853 120.400 0.296 0.000 2.312 484 D HA -0.156 4.484 4.640 -0.000 0.000 0.211 484 D C 1.594 178.013 176.300 0.198 0.000 0.964 484 D CA 0.979 55.141 54.000 0.270 0.000 0.877 484 D CB -0.459 40.465 40.800 0.207 0.000 0.924 484 D HN 0.306 nan 8.370 nan 0.000 0.515 485 K N -0.895 119.580 120.400 0.125 0.000 2.243 485 K HA -0.005 4.315 4.320 -0.000 0.000 0.201 485 K C 1.810 178.434 176.600 0.039 0.000 1.051 485 K CA 0.062 56.389 56.287 0.066 0.000 0.970 485 K CB -0.118 32.388 32.500 0.010 0.000 0.755 485 K HN 0.070 nan 8.250 nan 0.000 0.465 486 F N 1.318 121.221 119.950 -0.079 0.000 2.010 486 F HA -0.134 4.392 4.527 -0.000 0.000 0.296 486 F C 0.613 176.276 175.800 -0.229 0.000 1.146 486 F CA 1.330 59.181 58.000 -0.249 0.000 1.181 486 F CB -0.072 38.631 39.000 -0.495 0.000 0.965 486 F HN -0.228 nan 8.300 nan 0.000 0.480 487 F N 0.802 120.943 119.950 0.318 0.000 2.399 487 F HA 0.176 4.703 4.527 -0.000 0.000 0.342 487 F C 1.729 177.594 175.800 0.107 0.000 1.106 487 F CA -0.203 57.922 58.000 0.208 0.000 1.196 487 F CB 0.609 39.825 39.000 0.359 0.000 1.163 487 F HN 0.041 nan 8.300 nan 0.000 0.547 488 S N 1.201 117.038 115.700 0.228 0.000 2.380 488 S HA -0.213 4.257 4.470 -0.000 0.000 0.229 488 S C 0.498 175.200 174.600 0.170 0.000 1.050 488 S CA 1.174 59.456 58.200 0.136 0.000 1.100 488 S CB -0.368 62.895 63.200 0.105 0.000 0.984 488 S HN 0.764 nan 8.310 nan 0.000 0.434 489 Q N -0.950 118.974 119.800 0.207 0.000 2.544 489 Q HA 0.764 5.103 4.340 -0.000 0.000 0.291 489 Q C -1.531 174.614 176.000 0.242 0.000 1.068 489 Q CA -0.696 55.224 55.803 0.195 0.000 0.785 489 Q CB 2.542 31.361 28.738 0.135 0.000 1.481 489 Q HN 0.395 nan 8.270 nan 0.000 0.430 490 S N -0.440 115.400 115.700 0.234 0.000 2.615 490 S HA 0.491 4.961 4.470 -0.000 0.000 0.269 490 S C -1.870 172.870 174.600 0.234 0.000 1.161 490 S CA -0.568 57.788 58.200 0.260 0.000 0.817 490 S CB 1.683 65.164 63.200 0.468 0.000 1.131 490 S HN 0.669 nan 8.310 nan 0.000 0.467 491 c N 2.242 120.985 118.600 0.238 0.000 2.344 491 c HA 0.867 5.437 4.570 -0.000 0.000 0.326 491 c C -0.603 173.670 174.090 0.306 0.000 1.201 491 c CA 0.028 56.489 56.329 0.219 0.000 1.410 491 c CB -0.685 41.922 42.510 0.161 0.000 2.070 491 c HN 1.010 nan 8.230 nan 0.000 0.445 492 A N 7.758 130.727 122.820 0.248 0.000 2.893 492 A HA 0.568 4.888 4.320 -0.000 0.000 0.298 492 A C -2.941 174.657 177.584 0.022 0.000 1.227 492 A CA -0.613 51.520 52.037 0.161 0.000 0.845 492 A CB 0.257 19.312 19.000 0.092 0.000 1.430 492 A HN 0.606 nan 8.150 nan 0.000 0.493 493 P HA 0.251 nan 4.420 nan 0.000 0.271 493 P C 1.354 178.626 177.300 -0.048 0.000 1.228 493 P CA 2.201 65.322 63.100 0.036 0.000 0.797 493 P CB 0.560 32.321 31.700 0.102 0.000 0.914 494 G N -1.474 107.291 108.800 -0.059 0.000 2.196 494 G HA2 -0.192 3.768 3.960 -0.000 0.000 0.268 494 G HA3 -0.192 3.768 3.960 -0.000 0.000 0.268 494 G C 0.483 175.312 174.900 -0.118 0.000 0.975 494 G CA 0.296 45.345 45.100 -0.086 0.000 0.648 494 G HN 0.839 nan 8.290 nan 0.000 0.538 495 A N -0.318 122.437 122.820 -0.108 0.000 2.240 495 A HA 0.640 4.960 4.320 -0.000 0.000 0.292 495 A C 0.293 177.865 177.584 -0.019 0.000 1.121 495 A CA 0.463 52.449 52.037 -0.085 0.000 0.851 495 A CB 0.357 19.325 19.000 -0.054 0.000 1.167 495 A HN 0.832 nan 8.150 nan 0.000 0.503 496 D N 0.179 120.589 120.400 0.017 0.000 2.382 496 D HA 0.193 4.832 4.640 -0.000 0.000 0.259 496 D C -1.228 175.092 176.300 0.034 0.000 1.224 496 D CA -1.174 52.842 54.000 0.026 0.000 0.894 496 D CB 0.782 41.609 40.800 0.046 0.000 1.127 496 D HN 0.159 nan 8.370 nan 0.000 0.487 497 P HA -0.223 nan 4.420 nan 0.000 0.219 497 P C 0.160 177.481 177.300 0.036 0.000 1.146 497 P CA 1.249 64.364 63.100 0.025 0.000 0.808 497 P CB -0.044 31.663 31.700 0.011 0.000 0.779 498 Q N 0.282 120.103 119.800 0.035 0.000 2.296 498 Q HA 0.279 4.619 4.340 -0.000 0.000 0.273 498 Q C 0.092 176.124 176.000 0.053 0.000 0.900 498 Q CA -0.485 55.341 55.803 0.039 0.000 0.993 498 Q CB -0.196 28.559 28.738 0.029 0.000 1.132 498 Q HN 0.127 nan 8.270 nan 0.000 0.439 499 S N -1.087 114.653 115.700 0.068 0.000 2.634 499 S HA 0.394 4.863 4.470 -0.000 0.000 0.296 499 S C 0.818 175.484 174.600 0.110 0.000 1.104 499 S CA -0.248 58.007 58.200 0.091 0.000 0.920 499 S CB 1.665 64.929 63.200 0.108 0.000 1.111 499 S HN 0.249 nan 8.310 nan 0.000 0.493 500 S N 1.182 116.960 115.700 0.130 0.000 2.399 500 S HA -0.087 4.383 4.470 -0.000 0.000 0.231 500 S C 1.770 176.486 174.600 0.194 0.000 1.022 500 S CA 0.993 59.284 58.200 0.151 0.000 0.983 500 S CB -1.087 62.210 63.200 0.162 0.000 0.803 500 S HN 0.663 nan 8.310 nan 0.000 0.480 501 L N 0.365 121.722 121.223 0.223 0.000 2.187 501 L HA -0.049 4.291 4.340 -0.000 0.000 0.213 501 L C 1.431 178.430 176.870 0.215 0.000 1.100 501 L CA 0.548 55.555 54.840 0.277 0.000 0.765 501 L CB -0.719 41.524 42.059 0.307 0.000 0.904 501 L HN 0.429 nan 8.230 nan 0.000 0.437 502 c N -0.263 118.427 118.600 0.151 0.000 2.563 502 c HA 0.453 5.022 4.570 -0.000 0.000 0.307 502 c C 2.299 176.457 174.090 0.113 0.000 1.371 502 c CA -0.269 56.130 56.329 0.117 0.000 1.772 502 c CB -1.110 41.444 42.510 0.073 0.000 2.283 502 c HN 0.477 nan 8.230 nan 0.000 0.570 503 A N 1.161 124.061 122.820 0.133 0.000 1.854 503 A HA 0.028 4.348 4.320 -0.000 0.000 0.214 503 A C 1.724 179.373 177.584 0.108 0.000 1.192 503 A CA 1.238 53.342 52.037 0.112 0.000 0.611 503 A CB -0.335 18.737 19.000 0.120 0.000 0.832 503 A HN 0.594 nan 8.150 nan 0.000 0.442 504 L N 0.186 121.490 121.223 0.135 0.000 2.599 504 L HA 0.062 4.401 4.340 -0.000 0.000 0.230 504 L C 0.028 177.024 176.870 0.211 0.000 1.141 504 L CA -0.699 54.233 54.840 0.154 0.000 0.877 504 L CB -0.776 41.372 42.059 0.149 0.000 1.009 504 L HN 0.278 nan 8.230 nan 0.000 0.447 505 c N -0.037 118.667 118.600 0.173 0.000 2.539 505 c HA 0.201 4.770 4.570 -0.000 0.000 0.392 505 c C 1.768 175.853 174.090 -0.009 0.000 1.269 505 c CA -0.708 55.713 56.329 0.154 0.000 2.250 505 c CB 1.346 43.944 42.510 0.146 0.000 2.584 505 c HN 0.216 nan 8.230 nan 0.000 0.589 506 V N 1.715 121.529 119.914 -0.167 0.000 3.483 506 V HA 0.348 4.468 4.120 -0.000 0.000 0.301 506 V C 1.278 177.285 176.094 -0.145 0.000 1.389 506 V CA 0.719 62.893 62.300 -0.209 0.000 1.101 506 V CB -1.465 30.123 31.823 -0.392 0.000 0.971 506 V HN 1.436 nan 8.190 nan 0.000 0.434 507 G N 2.725 111.467 108.800 -0.096 0.000 2.960 507 G HA2 -0.286 3.674 3.960 -0.000 0.000 0.267 507 G HA3 -0.286 3.674 3.960 -0.000 0.000 0.267 507 G C -0.001 174.847 174.900 -0.086 0.000 1.492 507 G CA 0.101 45.159 45.100 -0.070 0.000 0.953 507 G HN 0.835 nan 8.290 nan 0.000 0.555 508 N N 0.314 118.977 118.700 -0.062 0.000 2.240 508 N HA 0.064 4.804 4.740 -0.000 0.000 0.250 508 N C 1.414 176.889 175.510 -0.058 0.000 1.316 508 N CA 0.465 53.483 53.050 -0.054 0.000 0.894 508 N CB 0.130 38.594 38.487 -0.037 0.000 1.101 508 N HN 0.546 nan 8.380 nan 0.000 0.491 509 N N -0.249 118.426 118.700 -0.042 0.000 2.061 509 N HA -0.164 4.575 4.740 -0.000 0.000 0.193 509 N C 0.329 175.819 175.510 -0.034 0.000 1.030 509 N CA 1.146 54.173 53.050 -0.037 0.000 0.856 509 N CB -0.345 38.132 38.487 -0.016 0.000 1.023 509 N HN 0.643 nan 8.380 nan 0.000 0.424 510 E N 1.503 121.687 120.200 -0.027 0.000 2.321 510 E HA 0.042 4.392 4.350 -0.000 0.000 0.189 510 E C -0.521 176.061 176.600 -0.029 0.000 1.125 510 E CA -0.176 56.210 56.400 -0.023 0.000 1.005 510 E CB -0.629 29.061 29.700 -0.017 0.000 1.140 510 E HN 0.278 nan 8.360 nan 0.000 0.457 511 N N 2.571 121.246 118.700 -0.041 0.000 2.699 511 N HA -0.160 4.579 4.740 -0.000 0.000 0.256 511 N C -0.552 174.937 175.510 -0.035 0.000 0.993 511 N CA 0.828 53.851 53.050 -0.045 0.000 0.759 511 N CB -0.337 38.126 38.487 -0.039 0.000 0.906 511 N HN 0.293 nan 8.380 nan 0.000 0.541 512 E N 0.219 120.398 120.200 -0.035 0.000 2.320 512 E HA 0.346 4.696 4.350 -0.000 0.000 0.264 512 E C 0.722 177.301 176.600 -0.035 0.000 0.923 512 E CA -0.769 55.613 56.400 -0.030 0.000 0.796 512 E CB 0.781 30.466 29.700 -0.026 0.000 1.262 512 E HN 0.297 nan 8.360 nan 0.000 0.428 513 N N 0.151 118.831 118.700 -0.033 0.000 2.776 513 N HA -0.196 4.544 4.740 -0.000 0.000 0.250 513 N C -0.329 175.159 175.510 -0.037 0.000 1.112 513 N CA 0.665 53.691 53.050 -0.040 0.000 0.733 513 N CB -0.901 37.556 38.487 -0.050 0.000 1.097 513 N HN 0.314 nan 8.380 nan 0.000 0.558 514 K N 0.405 120.789 120.400 -0.027 0.000 2.504 514 K HA -0.025 4.295 4.320 -0.000 0.000 0.278 514 K C 0.938 177.532 176.600 -0.010 0.000 1.025 514 K CA 1.154 57.431 56.287 -0.017 0.000 1.093 514 K CB 0.121 32.617 32.500 -0.006 0.000 0.873 514 K HN 0.496 nan 8.250 nan 0.000 0.483 515 c N 2.894 121.496 118.600 0.003 0.000 4.784 515 c HA -0.228 4.342 4.570 -0.000 0.000 0.261 515 c C 0.668 174.741 174.090 -0.027 0.000 1.492 515 c CA 0.584 56.919 56.329 0.009 0.000 1.622 515 c CB -2.264 40.255 42.510 0.014 0.000 1.855 515 c HN 1.016 nan 8.230 nan 0.000 0.662 516 M N 2.749 122.313 119.600 -0.059 0.000 2.245 516 M HA 0.235 4.715 4.480 -0.000 0.000 0.312 516 M C -1.598 174.598 176.300 -0.173 0.000 1.070 516 M CA 0.344 55.579 55.300 -0.109 0.000 1.162 516 M CB 0.521 33.043 32.600 -0.130 0.000 1.448 516 M HN 0.244 nan 8.290 nan 0.000 0.446 517 P HA 0.222 nan 4.420 nan 0.000 0.208 517 P C -2.061 174.653 177.300 -0.977 0.000 1.837 517 P CA -0.124 62.768 63.100 -0.347 0.000 0.953 517 P CB -0.873 30.745 31.700 -0.137 0.000 1.870 518 N N -1.903 116.169 118.700 -1.047 0.000 2.902 518 N HA 0.142 4.882 4.740 -0.000 0.000 0.268 518 N C 0.915 175.985 175.510 -0.732 0.000 1.450 518 N CA -0.662 51.653 53.050 -1.224 0.000 0.819 518 N CB 0.085 38.256 38.487 -0.526 0.000 1.540 518 N HN -0.231 nan 8.380 nan 0.000 0.545 519 S N -1.188 114.374 115.700 -0.229 0.000 2.440 519 S HA -0.217 4.253 4.470 -0.000 0.000 0.240 519 S C 0.931 175.546 174.600 0.025 0.000 1.014 519 S CA 1.056 59.306 58.200 0.083 0.000 0.980 519 S CB -0.706 62.571 63.200 0.128 0.000 0.775 519 S HN 0.607 nan 8.310 nan 0.000 0.499 520 E N 1.228 121.397 120.200 -0.051 0.000 2.077 520 E HA -0.113 4.237 4.350 -0.000 0.000 0.193 520 E C 0.839 177.422 176.600 -0.029 0.000 0.989 520 E CA 0.944 57.322 56.400 -0.037 0.000 0.800 520 E CB -0.274 29.392 29.700 -0.057 0.000 0.746 520 E HN 0.685 nan 8.360 nan 0.000 0.452 521 E N 1.859 122.038 120.200 -0.035 0.000 2.341 521 E HA -0.090 4.260 4.350 -0.000 0.000 0.256 521 E C 0.364 176.996 176.600 0.052 0.000 1.125 521 E CA 0.227 56.628 56.400 0.003 0.000 0.939 521 E CB 0.095 29.818 29.700 0.037 0.000 0.991 521 E HN -0.015 nan 8.360 nan 0.000 0.458 522 R N 3.471 123.955 120.500 -0.026 0.000 2.355 522 R HA -0.145 4.195 4.340 -0.000 0.000 0.219 522 R C 0.324 176.673 176.300 0.082 0.000 1.107 522 R CA 0.803 56.880 56.100 -0.037 0.000 1.021 522 R CB -0.025 30.178 30.300 -0.162 0.000 0.852 522 R HN 0.563 nan 8.270 nan 0.000 0.475 523 Y N -1.554 118.739 120.300 -0.012 0.000 2.467 523 Y HA 0.085 4.634 4.550 -0.000 0.000 0.250 523 Y C 0.234 176.161 175.900 0.044 0.000 1.155 523 Y CA -1.624 56.463 58.100 -0.022 0.000 1.249 523 Y CB -0.488 37.960 38.460 -0.020 0.000 1.146 523 Y HN -0.045 nan 8.280 nan 0.000 0.524 524 Y N 1.037 121.399 120.300 0.103 0.000 2.511 524 Y HA 0.347 4.897 4.550 -0.001 0.000 0.347 524 Y C 1.371 177.288 175.900 0.027 0.000 1.257 524 Y CA 1.016 59.142 58.100 0.043 0.000 1.469 524 Y CB 0.136 38.602 38.460 0.009 0.000 1.353 524 Y HN 0.403 nan 8.280 nan 0.000 0.617 525 G N 3.326 111.678 108.800 -0.747 0.000 2.625 525 G HA2 -0.383 3.577 3.960 -0.000 0.000 0.311 525 G HA3 -0.383 3.577 3.960 -0.000 0.000 0.311 525 G C 0.259 175.030 174.900 -0.216 0.000 1.324 525 G CA 0.431 45.153 45.100 -0.631 0.000 0.918 525 G HN 0.806 nan 8.290 nan 0.000 0.556 526 Y N 0.641 120.858 120.300 -0.139 0.000 2.014 526 Y HA -0.200 4.350 4.550 -0.000 0.000 0.272 526 Y C 3.485 179.366 175.900 -0.031 0.000 1.164 526 Y CA 2.724 60.776 58.100 -0.079 0.000 1.114 526 Y CB -1.369 37.036 38.460 -0.093 0.000 0.961 526 Y HN 0.606 nan 8.280 nan 0.000 0.489 527 T N -0.753 113.906 114.554 0.176 0.000 2.614 527 T HA -0.170 4.179 4.350 -0.000 0.000 0.263 527 T C 2.277 176.989 174.700 0.019 0.000 1.055 527 T CA 1.627 63.815 62.100 0.147 0.000 1.162 527 T CB -1.223 67.737 68.868 0.153 0.000 0.863 527 T HN 0.541 nan 8.240 nan 0.000 0.414 528 G N 1.213 110.008 108.800 -0.009 0.000 2.469 528 G HA2 -0.122 3.837 3.960 -0.000 0.000 0.220 528 G HA3 -0.122 3.837 3.960 -0.000 0.000 0.220 528 G C 1.781 176.614 174.900 -0.111 0.000 1.136 528 G CA 1.122 46.212 45.100 -0.017 0.000 0.759 528 G HN 0.623 nan 8.290 nan 0.000 0.562 529 A N 0.272 123.050 122.820 -0.071 0.000 1.872 529 A HA 0.169 4.489 4.320 -0.000 0.000 0.214 529 A C 2.152 179.664 177.584 -0.121 0.000 1.187 529 A CA 1.423 53.388 52.037 -0.119 0.000 0.614 529 A CB -0.576 18.425 19.000 0.003 0.000 0.826 529 A HN 0.309 nan 8.150 nan 0.000 0.442 530 F N 0.981 120.823 119.950 -0.180 0.000 2.120 530 F HA -0.201 4.326 4.527 -0.000 0.000 0.300 530 F C 2.332 178.001 175.800 -0.219 0.000 1.095 530 F CA 1.884 59.779 58.000 -0.176 0.000 1.249 530 F CB -0.418 38.520 39.000 -0.104 0.000 0.995 530 F HN 0.263 nan 8.300 nan 0.000 0.480 531 R N -0.529 119.735 120.500 -0.394 0.000 2.066 531 R HA -0.186 4.153 4.340 -0.000 0.000 0.232 531 R C 2.651 178.667 176.300 -0.473 0.000 1.131 531 R CA 1.564 57.335 56.100 -0.547 0.000 0.955 531 R CB -1.278 28.375 30.300 -1.078 0.000 0.851 531 R HN 0.479 nan 8.270 nan 0.000 0.432 532 c N 0.958 118.981 118.600 -0.963 0.000 2.396 532 c HA -0.153 4.417 4.570 -0.000 0.000 0.279 532 c C 2.470 176.241 174.090 -0.531 0.000 1.229 532 c CA 1.214 56.645 56.329 -1.496 0.000 1.801 532 c CB -1.085 40.329 42.510 -1.826 0.000 2.050 532 c HN 0.664 nan 8.230 nan 0.000 0.491 533 L N 1.228 122.228 121.223 -0.372 0.000 2.249 533 L HA 0.343 4.683 4.340 -0.000 0.000 0.207 533 L C 2.535 179.328 176.870 -0.128 0.000 1.090 533 L CA 2.024 56.748 54.840 -0.193 0.000 0.802 533 L CB -1.023 40.955 42.059 -0.134 0.000 0.947 533 L HN 0.266 nan 8.230 nan 0.000 0.453 534 A N -0.201 122.486 122.820 -0.223 0.000 1.851 534 A HA -0.231 4.089 4.320 -0.000 0.000 0.216 534 A C 2.014 179.618 177.584 0.035 0.000 1.195 534 A CA 1.879 53.857 52.037 -0.099 0.000 0.622 534 A CB -0.814 18.113 19.000 -0.121 0.000 0.831 534 A HN 0.569 nan 8.150 nan 0.000 0.444 535 E N -0.316 119.912 120.200 0.047 0.000 2.382 535 E HA 0.059 4.409 4.350 -0.000 0.000 0.190 535 E C -0.222 176.423 176.600 0.075 0.000 1.125 535 E CA 0.076 56.540 56.400 0.106 0.000 0.929 535 E CB -0.261 29.541 29.700 0.170 0.000 1.053 535 E HN 0.545 nan 8.360 nan 0.000 0.475 536 K N -2.036 118.382 120.400 0.030 0.000 3.086 536 K HA -0.332 3.988 4.320 -0.000 0.000 0.288 536 K C 1.168 177.782 176.600 0.023 0.000 1.127 536 K CA 0.496 56.794 56.287 0.019 0.000 0.854 536 K CB -1.570 30.949 32.500 0.031 0.000 1.213 536 K HN 0.287 nan 8.250 nan 0.000 0.456 537 A N 0.468 123.315 122.820 0.045 0.000 2.084 537 A HA 0.047 4.367 4.320 -0.000 0.000 0.221 537 A C 1.173 178.773 177.584 0.027 0.000 1.161 537 A CA 1.671 53.756 52.037 0.081 0.000 0.653 537 A CB -0.054 19.073 19.000 0.213 0.000 0.802 537 A HN 0.609 nan 8.150 nan 0.000 0.457 538 G N -2.784 105.997 108.800 -0.031 0.000 2.687 538 G HA2 0.459 4.419 3.960 -0.000 0.000 0.291 538 G HA3 0.459 4.419 3.960 -0.000 0.000 0.291 538 G C -0.612 174.250 174.900 -0.062 0.000 1.420 538 G CA 0.273 45.341 45.100 -0.053 0.000 0.796 538 G HN -0.022 nan 8.290 nan 0.000 0.485 539 D N -1.272 119.086 120.400 -0.071 0.000 2.394 539 D HA 0.074 4.714 4.640 -0.000 0.000 0.226 539 D C 0.672 176.915 176.300 -0.095 0.000 0.990 539 D CA 0.506 54.473 54.000 -0.055 0.000 0.902 539 D CB 1.166 41.952 40.800 -0.023 0.000 1.038 539 D HN 0.195 nan 8.370 nan 0.000 0.499 540 V N 0.856 120.653 119.914 -0.195 0.000 2.409 540 V HA 0.644 4.764 4.120 -0.000 0.000 0.291 540 V C -1.289 174.527 176.094 -0.462 0.000 1.020 540 V CA -0.724 61.378 62.300 -0.330 0.000 0.848 540 V CB 1.293 32.869 31.823 -0.412 0.000 0.990 540 V HN 0.172 nan 8.190 nan 0.000 0.430 541 A N 6.920 129.517 122.820 -0.371 0.000 2.271 541 A HA 0.796 5.116 4.320 -0.000 0.000 0.317 541 A C -0.939 176.467 177.584 -0.297 0.000 1.245 541 A CA -0.383 51.507 52.037 -0.244 0.000 0.857 541 A CB 0.364 19.356 19.000 -0.013 0.000 1.175 541 A HN 0.735 nan 8.150 nan 0.000 0.512 542 F N 2.943 122.910 119.950 0.029 0.000 2.391 542 F HA 0.512 5.039 4.527 -0.000 0.000 0.359 542 F C 0.678 176.553 175.800 0.126 0.000 1.122 542 F CA 0.082 58.156 58.000 0.122 0.000 1.120 542 F CB 1.472 40.591 39.000 0.198 0.000 1.142 542 F HN 0.563 nan 8.300 nan 0.000 0.483 543 V N -0.042 120.009 119.914 0.229 0.000 3.098 543 V HA 0.558 4.678 4.120 -0.000 0.000 0.310 543 V C -1.382 174.766 176.094 0.089 0.000 1.515 543 V CA -1.697 60.716 62.300 0.189 0.000 1.020 543 V CB 1.911 33.789 31.823 0.092 0.000 1.053 543 V HN 0.536 nan 8.190 nan 0.000 0.476 544 K N 0.254 120.608 120.400 -0.076 0.000 2.183 544 K HA 0.438 4.758 4.320 -0.000 0.000 0.274 544 K C 0.444 176.895 176.600 -0.249 0.000 1.009 544 K CA 0.125 56.291 56.287 -0.201 0.000 0.888 544 K CB 1.522 33.708 32.500 -0.522 0.000 1.078 544 K HN 0.756 nan 8.250 nan 0.000 0.459 545 D N 2.875 123.183 120.400 -0.152 0.000 2.248 545 D HA -0.300 4.340 4.640 -0.000 0.000 0.189 545 D C 1.511 177.672 176.300 -0.232 0.000 1.011 545 D CA 1.679 55.588 54.000 -0.152 0.000 0.868 545 D CB -0.946 39.803 40.800 -0.084 0.000 0.931 545 D HN 0.317 nan 8.370 nan 0.000 0.449 546 V N 1.097 120.861 119.914 -0.249 0.000 2.282 546 V HA -0.318 3.802 4.120 -0.000 0.000 0.249 546 V C 2.640 178.531 176.094 -0.340 0.000 1.057 546 V CA 2.463 64.605 62.300 -0.264 0.000 1.032 546 V CB -1.220 30.432 31.823 -0.285 0.000 0.645 546 V HN 0.353 nan 8.190 nan 0.000 0.447 547 T N 0.398 114.685 114.554 -0.446 0.000 2.481 547 T HA -0.333 4.016 4.350 -0.000 0.000 0.252 547 T C 1.832 176.177 174.700 -0.591 0.000 1.242 547 T CA 2.469 64.274 62.100 -0.491 0.000 1.170 547 T CB -0.745 67.831 68.868 -0.487 0.000 0.860 547 T HN 0.281 nan 8.240 nan 0.000 0.422 548 V N 2.209 121.569 119.914 -0.924 0.000 2.250 548 V HA -0.265 3.855 4.120 -0.000 0.000 0.253 548 V C 2.584 178.424 176.094 -0.422 0.000 1.065 548 V CA 2.272 63.852 62.300 -1.199 0.000 1.039 548 V CB -1.110 30.251 31.823 -0.770 0.000 0.647 548 V HN 0.477 nan 8.190 nan 0.000 0.446 549 L N -0.427 120.629 121.223 -0.277 0.000 2.010 549 L HA -0.345 3.995 4.340 -0.000 0.000 0.219 549 L C 2.645 179.458 176.870 -0.094 0.000 1.077 549 L CA 2.210 56.970 54.840 -0.134 0.000 0.773 549 L CB -1.072 40.908 42.059 -0.132 0.000 0.892 549 L HN 0.408 nan 8.230 nan 0.000 0.436 550 Q N -0.265 119.462 119.800 -0.123 0.000 2.291 550 Q HA -0.115 4.225 4.340 -0.000 0.000 0.206 550 Q C 1.458 177.457 176.000 -0.001 0.000 0.976 550 Q CA 1.044 56.808 55.803 -0.064 0.000 0.875 550 Q CB -0.092 28.598 28.738 -0.080 0.000 0.927 550 Q HN 0.656 nan 8.270 nan 0.000 0.450 551 N N 0.203 118.930 118.700 0.046 0.000 2.227 551 N HA 0.004 4.744 4.740 -0.000 0.000 0.196 551 N C 0.588 176.123 175.510 0.040 0.000 1.142 551 N CA 0.392 53.497 53.050 0.091 0.000 0.887 551 N CB 0.881 39.547 38.487 0.298 0.000 1.022 551 N HN 0.206 nan 8.380 nan 0.000 0.500 552 T N -0.493 114.113 114.554 0.087 0.000 2.824 552 T HA 0.144 4.494 4.350 -0.000 0.000 0.277 552 T C -0.081 174.645 174.700 0.044 0.000 0.975 552 T CA -0.372 61.786 62.100 0.097 0.000 0.966 552 T CB 0.963 69.948 68.868 0.194 0.000 1.054 552 T HN 0.128 nan 8.240 nan 0.000 0.533 553 D N -0.422 120.009 120.400 0.052 0.000 2.697 553 D HA -0.172 4.468 4.640 -0.000 0.000 0.235 553 D C 1.098 177.395 176.300 -0.006 0.000 1.167 553 D CA 1.241 55.256 54.000 0.025 0.000 0.656 553 D CB -1.972 38.844 40.800 0.028 0.000 1.025 553 D HN 1.706 nan 8.370 nan 0.000 0.419 554 G N -0.348 108.435 108.800 -0.028 0.000 2.166 554 G HA2 -0.468 3.492 3.960 -0.000 0.000 0.260 554 G HA3 -0.468 3.492 3.960 -0.000 0.000 0.260 554 G C 1.133 176.002 174.900 -0.051 0.000 0.986 554 G CA 1.160 46.231 45.100 -0.049 0.000 0.683 554 G HN 0.576 nan 8.290 nan 0.000 0.527 555 K N -0.029 120.344 120.400 -0.045 0.000 1.973 555 K HA -0.061 4.258 4.320 -0.000 0.000 0.210 555 K C 1.247 177.819 176.600 -0.045 0.000 1.045 555 K CA 1.063 57.328 56.287 -0.037 0.000 0.937 555 K CB -0.059 32.427 32.500 -0.023 0.000 0.721 555 K HN 0.503 nan 8.250 nan 0.000 0.438 556 N N 1.211 119.870 118.700 -0.069 0.000 2.408 556 N HA -0.008 4.732 4.740 -0.000 0.000 0.257 556 N C 0.102 175.521 175.510 -0.153 0.000 1.064 556 N CA -0.264 52.741 53.050 -0.076 0.000 0.952 556 N CB 0.867 39.311 38.487 -0.071 0.000 1.093 556 N HN 0.072 nan 8.380 nan 0.000 0.490 557 S N 1.940 117.580 115.700 -0.100 0.000 2.851 557 S HA 0.000 4.470 4.470 -0.000 0.000 0.227 557 S C 0.299 174.809 174.600 -0.151 0.000 0.958 557 S CA -0.210 57.919 58.200 -0.117 0.000 0.990 557 S CB -0.184 62.977 63.200 -0.065 0.000 0.790 557 S HN 0.668 nan 8.310 nan 0.000 0.509 558 E N 2.322 122.380 120.200 -0.236 0.000 2.257 558 E HA 0.213 4.563 4.350 -0.000 0.000 0.278 558 E C -1.561 174.756 176.600 -0.471 0.000 1.049 558 E CA -2.339 53.905 56.400 -0.259 0.000 0.876 558 E CB 0.704 30.318 29.700 -0.143 0.000 1.035 558 E HN 0.074 nan 8.360 nan 0.000 0.419 559 P HA -0.312 nan 4.420 nan 0.000 0.227 559 P C 1.044 178.254 177.300 -0.151 0.000 1.106 559 P CA 2.051 65.086 63.100 -0.108 0.000 0.998 559 P CB -0.341 31.377 31.700 0.030 0.000 0.769 560 W N -0.916 120.398 121.300 0.024 0.000 2.331 560 W HA -0.134 4.526 4.660 -0.000 0.000 0.291 560 W C 1.649 178.175 176.519 0.010 0.000 1.214 560 W CA 1.161 58.519 57.345 0.022 0.000 1.228 560 W CB -1.771 27.709 29.460 0.034 0.000 1.135 560 W HN -0.059 nan 8.180 nan 0.000 0.537 561 A N 1.530 123.604 122.820 -1.243 0.000 1.865 561 A HA -0.087 4.233 4.320 -0.000 0.000 0.216 561 A C 2.020 179.318 177.584 -0.477 0.000 1.315 561 A CA 2.158 53.475 52.037 -1.200 0.000 0.605 561 A CB -1.233 16.628 19.000 -1.898 0.000 0.984 561 A HN 0.186 nan 8.150 nan 0.000 0.470 562 K N -1.107 119.024 120.400 -0.449 0.000 3.076 562 K HA -0.337 3.983 4.320 -0.000 0.000 0.205 562 K C 0.059 176.585 176.600 -0.123 0.000 0.792 562 K CA 2.551 58.703 56.287 -0.227 0.000 0.962 562 K CB -0.865 31.534 32.500 -0.168 0.000 1.497 562 K HN 0.578 nan 8.250 nan 0.000 0.605 563 D N 0.521 120.869 120.400 -0.087 0.000 2.463 563 D HA 0.149 4.789 4.640 -0.000 0.000 0.224 563 D C 0.002 176.313 176.300 0.018 0.000 1.174 563 D CA -0.002 53.980 54.000 -0.029 0.000 0.829 563 D CB 0.063 40.850 40.800 -0.020 0.000 0.993 563 D HN 0.231 nan 8.370 nan 0.000 0.497 564 L N 0.663 121.903 121.223 0.028 0.000 2.417 564 L HA 0.252 4.591 4.340 -0.000 0.000 0.268 564 L C 0.619 177.610 176.870 0.203 0.000 1.158 564 L CA 0.218 55.160 54.840 0.170 0.000 0.819 564 L CB 0.670 42.817 42.059 0.146 0.000 1.112 564 L HN -0.345 nan 8.230 nan 0.000 0.458 565 K N 1.764 122.365 120.400 0.335 0.000 2.482 565 K HA 0.243 4.562 4.320 -0.000 0.000 0.251 565 K C 0.042 176.861 176.600 0.366 0.000 0.936 565 K CA -0.719 55.712 56.287 0.240 0.000 0.791 565 K CB 2.356 34.913 32.500 0.094 0.000 1.213 565 K HN 0.486 nan 8.250 nan 0.000 0.428 566 Q N 1.198 121.168 119.800 0.283 0.000 2.118 566 Q HA -0.265 4.075 4.340 -0.000 0.000 0.211 566 Q C 1.123 177.262 176.000 0.232 0.000 0.998 566 Q CA 1.830 57.805 55.803 0.288 0.000 0.872 566 Q CB 0.071 28.894 28.738 0.142 0.000 0.925 566 Q HN 0.492 nan 8.270 nan 0.000 0.414 567 E N 0.955 121.218 120.200 0.105 0.000 2.209 567 E HA -0.179 4.171 4.350 -0.000 0.000 0.196 567 E C 1.270 177.831 176.600 -0.066 0.000 0.993 567 E CA 1.046 57.462 56.400 0.026 0.000 0.819 567 E CB -0.389 29.313 29.700 0.004 0.000 0.745 567 E HN 0.471 nan 8.360 nan 0.000 0.477 568 D N -0.188 120.096 120.400 -0.192 0.000 2.371 568 D HA -0.034 4.606 4.640 -0.000 0.000 0.221 568 D C -0.081 175.641 176.300 -0.962 0.000 0.986 568 D CA 0.504 54.126 54.000 -0.631 0.000 0.899 568 D CB -0.187 40.047 40.800 -0.943 0.000 0.902 568 D HN 0.145 nan 8.370 nan 0.000 0.530 569 F N 0.677 120.678 119.950 0.085 0.000 2.520 569 F HA 0.393 4.920 4.527 -0.000 0.000 0.322 569 F C 0.627 176.470 175.800 0.071 0.000 1.103 569 F CA -0.976 57.088 58.000 0.106 0.000 0.926 569 F CB 1.824 40.950 39.000 0.210 0.000 1.154 569 F HN -0.399 nan 8.300 nan 0.000 0.453 570 E N 2.744 123.057 120.200 0.189 0.000 2.244 570 E HA 0.613 4.963 4.350 -0.000 0.000 0.266 570 E C -1.308 175.365 176.600 0.121 0.000 0.914 570 E CA -0.953 55.519 56.400 0.119 0.000 0.794 570 E CB 2.701 32.441 29.700 0.066 0.000 1.210 570 E HN 0.455 nan 8.360 nan 0.000 0.414 571 L N 2.883 124.160 121.223 0.090 0.000 2.307 571 L HA 0.432 4.772 4.340 -0.000 0.000 0.284 571 L C -0.391 176.527 176.870 0.080 0.000 1.023 571 L CA -0.735 54.153 54.840 0.080 0.000 0.810 571 L CB 0.707 42.803 42.059 0.062 0.000 1.231 571 L HN 0.336 nan 8.230 nan 0.000 0.423 572 L N 2.754 124.039 121.223 0.104 0.000 2.326 572 L HA 0.360 4.700 4.340 -0.000 0.000 0.278 572 L C -0.620 176.302 176.870 0.088 0.000 1.092 572 L CA -0.338 54.588 54.840 0.144 0.000 0.810 572 L CB 1.129 43.348 42.059 0.266 0.000 1.153 572 L HN 0.687 nan 8.230 nan 0.000 0.439 573 c N 3.553 122.188 118.600 0.058 0.000 2.369 573 c HA 0.284 4.853 4.570 -0.000 0.000 0.322 573 c C 1.606 175.662 174.090 -0.056 0.000 1.258 573 c CA -1.115 55.196 56.329 -0.032 0.000 1.487 573 c CB 0.840 43.333 42.510 -0.029 0.000 2.165 573 c HN 0.838 nan 8.230 nan 0.000 0.483 574 L N 1.589 122.702 121.223 -0.183 0.000 2.710 574 L HA -0.217 4.122 4.340 -0.000 0.000 0.233 574 L C 1.266 178.086 176.870 -0.083 0.000 1.181 574 L CA 1.508 56.209 54.840 -0.231 0.000 0.812 574 L CB -0.431 41.459 42.059 -0.280 0.000 0.941 574 L HN 0.857 nan 8.230 nan 0.000 0.454 575 D N -1.812 118.572 120.400 -0.027 0.000 2.696 575 D HA 0.182 4.821 4.640 -0.000 0.000 0.269 575 D C 1.196 177.529 176.300 0.054 0.000 1.319 575 D CA 0.226 54.235 54.000 0.014 0.000 0.826 575 D CB 0.117 40.912 40.800 -0.008 0.000 1.086 575 D HN 0.101 nan 8.370 nan 0.000 0.481 576 G N 0.279 109.142 108.800 0.105 0.000 2.196 576 G HA2 -0.316 3.644 3.960 -0.000 0.000 0.268 576 G HA3 -0.316 3.644 3.960 -0.000 0.000 0.268 576 G C 0.514 175.466 174.900 0.086 0.000 0.975 576 G CA 0.863 46.038 45.100 0.124 0.000 0.648 576 G HN 0.498 nan 8.290 nan 0.000 0.538 577 T N 0.220 114.809 114.554 0.058 0.000 2.868 577 T HA 0.618 4.968 4.350 -0.000 0.000 0.292 577 T C 0.584 175.316 174.700 0.053 0.000 1.028 577 T CA -0.000 62.125 62.100 0.042 0.000 1.059 577 T CB 1.454 70.333 68.868 0.018 0.000 0.991 577 T HN 0.436 nan 8.240 nan 0.000 0.531 578 R N 0.913 121.441 120.500 0.047 0.000 2.750 578 R HA 0.620 4.960 4.340 -0.000 0.000 0.281 578 R C -0.511 175.812 176.300 0.039 0.000 0.972 578 R CA -0.969 55.163 56.100 0.053 0.000 0.912 578 R CB 1.465 31.796 30.300 0.053 0.000 1.187 578 R HN 0.399 nan 8.270 nan 0.000 0.464 579 K N 1.081 121.506 120.400 0.042 0.000 2.318 579 K HA 0.532 4.852 4.320 -0.000 0.000 0.265 579 K C -2.662 173.966 176.600 0.045 0.000 1.055 579 K CA -2.130 54.179 56.287 0.036 0.000 0.896 579 K CB 1.496 34.013 32.500 0.028 0.000 1.479 579 K HN 0.288 nan 8.250 nan 0.000 0.449 580 P HA 0.148 nan 4.420 nan 0.000 0.277 580 P C 0.868 178.206 177.300 0.063 0.000 1.271 580 P CA -0.452 62.679 63.100 0.052 0.000 0.795 580 P CB 0.521 32.245 31.700 0.039 0.000 1.101 581 V N -0.036 119.928 119.914 0.083 0.000 2.867 581 V HA -0.222 3.898 4.120 -0.000 0.000 0.260 581 V C 2.083 178.194 176.094 0.029 0.000 1.099 581 V CA 2.421 64.759 62.300 0.065 0.000 1.122 581 V CB -1.784 30.085 31.823 0.077 0.000 0.708 581 V HN 0.610 nan 8.190 nan 0.000 0.490 582 A N 0.194 123.031 122.820 0.029 0.000 1.930 582 A HA -0.094 4.226 4.320 -0.000 0.000 0.215 582 A C 1.935 179.531 177.584 0.021 0.000 1.176 582 A CA 0.808 52.855 52.037 0.017 0.000 0.632 582 A CB -0.284 18.725 19.000 0.015 0.000 0.819 582 A HN 0.583 nan 8.150 nan 0.000 0.445 583 E N 0.929 121.144 120.200 0.026 0.000 2.495 583 E HA 0.011 4.360 4.350 -0.000 0.000 0.204 583 E C 1.693 178.318 176.600 0.041 0.000 1.163 583 E CA 0.401 56.818 56.400 0.028 0.000 0.922 583 E CB -0.465 29.248 29.700 0.022 0.000 0.918 583 E HN 0.604 nan 8.360 nan 0.000 0.537 584 A N 1.953 124.803 122.820 0.049 0.000 1.927 584 A HA -0.271 4.049 4.320 -0.000 0.000 0.220 584 A C 2.090 179.771 177.584 0.161 0.000 1.185 584 A CA 1.359 53.447 52.037 0.085 0.000 0.639 584 A CB -0.270 18.762 19.000 0.053 0.000 0.820 584 A HN 0.107 nan 8.150 nan 0.000 0.451 585 E N -0.048 120.219 120.200 0.111 0.000 2.219 585 E HA -0.129 4.221 4.350 -0.000 0.000 0.198 585 E C 1.498 178.208 176.600 0.184 0.000 0.998 585 E CA 1.503 57.986 56.400 0.139 0.000 0.818 585 E CB -0.137 29.601 29.700 0.064 0.000 0.741 585 E HN 0.627 nan 8.360 nan 0.000 0.477 586 S N -1.574 114.179 115.700 0.088 0.000 2.666 586 S HA 0.079 4.548 4.470 -0.000 0.000 0.239 586 S C 0.577 175.120 174.600 -0.094 0.000 1.031 586 S CA -0.380 57.816 58.200 -0.007 0.000 1.015 586 S CB 0.753 63.950 63.200 -0.006 0.000 0.981 586 S HN 0.183 nan 8.310 nan 0.000 0.547 587 c N 5.032 123.608 118.600 -0.039 0.000 3.169 587 c HA 0.568 5.138 4.570 -0.000 0.000 0.232 587 c C -0.437 173.647 174.090 -0.009 0.000 1.316 587 c CA -0.396 55.898 56.329 -0.059 0.000 1.545 587 c CB -1.517 40.992 42.510 -0.002 0.000 1.785 587 c HN 0.675 nan 8.230 nan 0.000 0.454 588 H N 1.197 120.251 119.070 -0.026 0.000 3.008 588 H HA 0.354 4.910 4.556 -0.001 0.000 0.354 588 H C -0.384 174.904 175.328 -0.067 0.000 1.252 588 H CA -0.788 55.244 56.048 -0.027 0.000 1.117 588 H CB 0.812 30.567 29.762 -0.010 0.000 1.857 588 H HN 0.249 nan 8.280 nan 0.000 0.547 589 L N 0.493 121.782 121.223 0.111 0.000 2.131 589 L HA 0.325 4.665 4.340 -0.000 0.000 0.206 589 L C 1.147 178.114 176.870 0.162 0.000 1.087 589 L CA 1.533 56.368 54.840 -0.009 0.000 0.767 589 L CB -0.149 41.892 42.059 -0.029 0.000 0.917 589 L HN 0.844 nan 8.230 nan 0.000 0.441 590 A N -0.688 122.368 122.820 0.392 0.000 2.526 590 A HA 0.606 4.925 4.320 -0.000 0.000 0.306 590 A C -1.411 176.105 177.584 -0.113 0.000 1.088 590 A CA -0.648 51.518 52.037 0.215 0.000 0.600 590 A CB 0.704 19.723 19.000 0.031 0.000 1.423 590 A HN 0.006 nan 8.150 nan 0.000 0.582 591 R N -0.178 120.214 120.500 -0.180 0.000 2.409 591 R HA 0.719 5.058 4.340 -0.000 0.000 0.313 591 R C -0.425 175.704 176.300 -0.285 0.000 0.953 591 R CA 0.543 56.496 56.100 -0.245 0.000 0.849 591 R CB 1.375 31.539 30.300 -0.226 0.000 1.171 591 R HN 1.562 nan 8.270 nan 0.000 0.458 592 A N 5.477 128.084 122.820 -0.355 0.000 2.295 592 A HA 0.672 4.992 4.320 -0.000 0.000 0.318 592 A C -2.415 174.762 177.584 -0.679 0.000 1.134 592 A CA -1.975 49.721 52.037 -0.568 0.000 0.827 592 A CB 0.606 19.225 19.000 -0.636 0.000 1.136 592 A HN 0.641 nan 8.150 nan 0.000 0.493 593 P HA 0.188 nan 4.420 nan 0.000 0.275 593 P C -0.604 176.539 177.300 -0.262 0.000 1.228 593 P CA -0.217 62.677 63.100 -0.344 0.000 0.786 593 P CB 0.514 32.105 31.700 -0.182 0.000 0.927 594 N N 0.326 119.021 118.700 -0.008 0.000 2.354 594 N HA 0.075 4.815 4.740 -0.000 0.000 0.246 594 N C 0.358 176.172 175.510 0.507 0.000 1.285 594 N CA -0.049 53.167 53.050 0.277 0.000 0.925 594 N CB -0.087 38.572 38.487 0.287 0.000 1.174 594 N HN 0.488 nan 8.380 nan 0.000 0.478 595 H N -0.554 118.724 119.070 0.347 0.000 2.730 595 H HA 0.472 5.028 4.556 -0.000 0.000 0.376 595 H C -0.459 174.992 175.328 0.205 0.000 1.299 595 H CA -0.595 55.628 56.048 0.293 0.000 1.447 595 H CB 0.608 30.544 29.762 0.290 0.000 1.493 595 H HN 0.541 nan 8.280 nan 0.000 0.619 596 A N 1.495 124.447 122.820 0.219 0.000 2.465 596 A HA 0.374 4.694 4.320 -0.000 0.000 0.292 596 A C -0.501 177.119 177.584 0.061 0.000 1.041 596 A CA -0.635 51.412 52.037 0.017 0.000 0.718 596 A CB 0.926 19.679 19.000 -0.412 0.000 1.266 596 A HN 0.399 nan 8.150 nan 0.000 0.403 597 V N 1.594 121.587 119.914 0.132 0.000 3.237 597 V HA 0.486 4.606 4.120 -0.000 0.000 0.305 597 V C 0.559 176.658 176.094 0.008 0.000 1.096 597 V CA 0.729 63.110 62.300 0.135 0.000 1.130 597 V CB 1.304 33.325 31.823 0.329 0.000 1.048 597 V HN 1.508 nan 8.190 nan 0.000 0.484 598 V N -0.298 119.582 119.914 -0.056 0.000 3.264 598 V HA 0.997 5.116 4.120 -0.000 0.000 0.294 598 V C -0.648 175.391 176.094 -0.092 0.000 1.429 598 V CA 0.098 62.362 62.300 -0.061 0.000 1.053 598 V CB 1.483 33.274 31.823 -0.053 0.000 1.128 598 V HN 1.282 nan 8.190 nan 0.000 0.452 599 S N 0.413 116.081 115.700 -0.053 0.000 2.714 599 S HA 0.459 4.929 4.470 -0.000 0.000 0.280 599 S C -1.665 172.926 174.600 -0.014 0.000 1.200 599 S CA -0.875 57.297 58.200 -0.047 0.000 0.900 599 S CB 1.597 64.777 63.200 -0.033 0.000 1.235 599 S HN 1.073 nan 8.310 nan 0.000 0.512 600 Q N 1.667 121.465 119.800 -0.004 0.000 2.304 600 Q HA 0.266 4.606 4.340 -0.000 0.000 0.260 600 Q C 1.519 177.528 176.000 0.015 0.000 0.965 600 Q CA 0.365 56.172 55.803 0.007 0.000 0.898 600 Q CB 1.444 30.188 28.738 0.009 0.000 1.196 600 Q HN 0.901 nan 8.270 nan 0.000 0.402 601 S N 2.040 117.750 115.700 0.017 0.000 2.400 601 S HA -0.312 4.158 4.470 -0.000 0.000 0.234 601 S C 1.209 175.825 174.600 0.027 0.000 1.049 601 S CA 1.812 60.024 58.200 0.021 0.000 1.039 601 S CB -0.127 63.083 63.200 0.018 0.000 0.856 601 S HN 0.690 nan 8.310 nan 0.000 0.465 602 D N 2.047 122.461 120.400 0.024 0.000 2.380 602 D HA -0.175 4.465 4.640 -0.000 0.000 0.198 602 D C 2.103 178.425 176.300 0.036 0.000 1.027 602 D CA 1.639 55.654 54.000 0.024 0.000 0.880 602 D CB -0.266 40.545 40.800 0.019 0.000 1.064 602 D HN 0.394 nan 8.370 nan 0.000 0.465 603 R N 0.433 120.960 120.500 0.044 0.000 2.357 603 R HA 0.106 4.446 4.340 -0.000 0.000 0.202 603 R C 2.007 178.361 176.300 0.090 0.000 1.047 603 R CA 0.586 56.732 56.100 0.077 0.000 1.034 603 R CB -0.464 29.894 30.300 0.096 0.000 0.875 603 R HN 0.208 nan 8.270 nan 0.000 0.473 604 A N 1.872 124.728 122.820 0.061 0.000 1.920 604 A HA -0.380 3.940 4.320 -0.000 0.000 0.229 604 A C 2.161 179.787 177.584 0.070 0.000 1.516 604 A CA 2.224 54.293 52.037 0.054 0.000 0.714 604 A CB -0.735 18.291 19.000 0.043 0.000 0.845 604 A HN 0.447 nan 8.150 nan 0.000 0.493 605 Q N -2.100 117.752 119.800 0.087 0.000 1.891 605 Q HA -0.263 4.077 4.340 -0.000 0.000 0.214 605 Q C 2.189 178.274 176.000 0.142 0.000 0.995 605 Q CA 1.782 57.649 55.803 0.108 0.000 0.866 605 Q CB -0.444 28.359 28.738 0.108 0.000 0.931 605 Q HN 0.889 nan 8.270 nan 0.000 0.422 606 H N 0.161 119.265 119.070 0.056 0.000 2.437 606 H HA -0.198 4.358 4.556 -0.000 0.000 0.296 606 H C 2.096 177.468 175.328 0.072 0.000 1.121 606 H CA 1.445 57.530 56.048 0.062 0.000 1.255 606 H CB 0.009 29.799 29.762 0.046 0.000 1.366 606 H HN 0.293 nan 8.280 nan 0.000 0.512 607 L N 1.529 122.809 121.223 0.095 0.000 1.970 607 L HA -0.202 4.138 4.340 -0.000 0.000 0.212 607 L C 2.569 179.448 176.870 0.015 0.000 1.071 607 L CA 2.098 56.967 54.840 0.049 0.000 0.751 607 L CB -0.988 41.122 42.059 0.085 0.000 0.889 607 L HN 0.285 nan 8.230 nan 0.000 0.432 608 K N -0.053 120.345 120.400 -0.002 0.000 2.020 608 K HA -0.281 4.039 4.320 -0.000 0.000 0.212 608 K C 2.267 178.835 176.600 -0.054 0.000 1.050 608 K CA 2.137 58.353 56.287 -0.118 0.000 0.929 608 K CB -0.142 32.307 32.500 -0.084 0.000 0.714 608 K HN 0.203 nan 8.250 nan 0.000 0.443 609 K N 0.144 120.598 120.400 0.089 0.000 2.009 609 K HA -0.152 4.168 4.320 -0.000 0.000 0.210 609 K C 1.885 178.563 176.600 0.130 0.000 1.049 609 K CA 1.876 58.271 56.287 0.180 0.000 0.929 609 K CB -0.048 32.538 32.500 0.143 0.000 0.714 609 K HN 0.046 nan 8.250 nan 0.000 0.440 610 V N 1.721 121.630 119.914 -0.008 0.000 2.453 610 V HA -0.206 3.913 4.120 -0.000 0.000 0.247 610 V C 2.330 178.489 176.094 0.108 0.000 1.048 610 V CA 1.253 63.555 62.300 0.004 0.000 1.049 610 V CB -0.312 31.433 31.823 -0.130 0.000 0.672 610 V HN 0.344 nan 8.190 nan 0.000 0.457 611 L N -1.319 119.977 121.223 0.121 0.000 2.012 611 L HA -0.181 4.159 4.340 -0.000 0.000 0.210 611 L C 2.516 179.515 176.870 0.215 0.000 1.073 611 L CA 1.756 56.720 54.840 0.206 0.000 0.748 611 L CB -0.620 41.546 42.059 0.178 0.000 0.891 611 L HN 0.257 nan 8.230 nan 0.000 0.431 612 F N 0.441 120.453 119.950 0.104 0.000 2.120 612 F HA -0.275 4.252 4.527 -0.000 0.000 0.300 612 F C 2.405 178.228 175.800 0.038 0.000 1.095 612 F CA 1.275 59.316 58.000 0.068 0.000 1.249 612 F CB -0.822 38.213 39.000 0.059 0.000 0.995 612 F HN -0.029 nan 8.300 nan 0.000 0.480 613 L N -0.830 120.535 121.223 0.236 0.000 1.955 613 L HA -0.267 4.073 4.340 -0.000 0.000 0.213 613 L C 2.623 179.539 176.870 0.077 0.000 1.072 613 L CA 1.357 56.261 54.840 0.107 0.000 0.755 613 L CB -1.049 41.059 42.059 0.081 0.000 0.888 613 L HN 0.077 nan 8.230 nan 0.000 0.432 614 Q N 0.115 120.014 119.800 0.164 0.000 2.156 614 Q HA -0.323 4.017 4.340 -0.000 0.000 0.211 614 Q C 2.085 178.147 176.000 0.103 0.000 0.995 614 Q CA 2.342 58.303 55.803 0.262 0.000 0.877 614 Q CB -0.511 28.556 28.738 0.549 0.000 0.920 614 Q HN 0.665 nan 8.270 nan 0.000 0.416 615 Q N -0.032 119.812 119.800 0.074 0.000 2.378 615 Q HA -0.105 4.234 4.340 -0.000 0.000 0.205 615 Q C 0.772 176.750 176.000 -0.037 0.000 0.954 615 Q CA 1.029 56.824 55.803 -0.014 0.000 0.901 615 Q CB 0.204 29.031 28.738 0.150 0.000 0.981 615 Q HN 0.112 nan 8.270 nan 0.000 0.483 616 D N 0.253 120.629 120.400 -0.040 0.000 2.305 616 D HA -0.071 4.569 4.640 -0.000 0.000 0.206 616 D C 1.338 177.516 176.300 -0.203 0.000 0.974 616 D CA 0.618 54.565 54.000 -0.089 0.000 0.871 616 D CB 0.293 41.052 40.800 -0.069 0.000 0.947 616 D HN 0.436 nan 8.370 nan 0.000 0.516 617 Q N -1.089 118.488 119.800 -0.372 0.000 2.378 617 Q HA 0.047 4.387 4.340 -0.000 0.000 0.216 617 Q C -0.148 175.311 176.000 -0.902 0.000 0.892 617 Q CA 0.357 55.689 55.803 -0.785 0.000 0.931 617 Q CB 0.489 28.462 28.738 -1.275 0.000 1.086 617 Q HN 0.112 nan 8.270 nan 0.000 0.528 618 F N -1.789 118.092 119.950 -0.115 0.000 2.790 618 F HA 0.418 4.945 4.527 -0.000 0.000 0.347 618 F C 0.529 176.034 175.800 -0.492 0.000 1.252 618 F CA -0.392 57.488 58.000 -0.201 0.000 1.109 618 F CB 0.400 39.369 39.000 -0.051 0.000 1.205 618 F HN 0.003 nan 8.300 nan 0.000 0.510 619 G N 0.299 108.860 108.800 -0.400 0.000 3.345 619 G HA2 0.407 4.367 3.960 -0.000 0.000 0.202 619 G HA3 0.407 4.367 3.960 -0.000 0.000 0.202 619 G C 1.450 176.260 174.900 -0.149 0.000 1.740 619 G CA 0.309 44.962 45.100 -0.745 0.000 0.806 619 G HN 0.191 nan 8.290 nan 0.000 0.718 620 G N 0.421 109.296 108.800 0.125 0.000 2.491 620 G HA2 -0.190 3.770 3.960 -0.000 0.000 0.218 620 G HA3 -0.190 3.770 3.960 -0.000 0.000 0.218 620 G C 1.172 176.081 174.900 0.015 0.000 1.180 620 G CA 1.377 46.536 45.100 0.098 0.000 0.774 620 G HN 0.566 nan 8.290 nan 0.000 0.562 621 N N 0.127 118.823 118.700 -0.006 0.000 2.200 621 N HA 0.302 5.042 4.740 -0.000 0.000 0.224 621 N C 0.924 176.410 175.510 -0.040 0.000 1.179 621 N CA -0.034 53.003 53.050 -0.021 0.000 0.877 621 N CB 0.901 39.377 38.487 -0.019 0.000 1.072 621 N HN 0.311 nan 8.380 nan 0.000 0.519 622 G N 2.365 111.131 108.800 -0.058 0.000 2.420 622 G HA2 -0.108 3.852 3.960 -0.000 0.000 0.273 622 G HA3 -0.108 3.852 3.960 -0.000 0.000 0.273 622 G C -1.484 173.392 174.900 -0.041 0.000 0.671 622 G CA -0.558 44.503 45.100 -0.066 0.000 1.054 622 G HN 0.115 nan 8.290 nan 0.000 0.295 623 P HA -0.065 nan 4.420 nan 0.000 0.220 623 P C 0.670 177.969 177.300 -0.002 0.000 1.144 623 P CA 1.275 64.351 63.100 -0.040 0.000 0.800 623 P CB 0.347 32.007 31.700 -0.066 0.000 0.772 624 D N -3.325 117.097 120.400 0.038 0.000 2.571 624 D HA 0.041 4.680 4.640 -0.000 0.000 0.239 624 D C 1.207 177.596 176.300 0.149 0.000 1.267 624 D CA -0.195 53.886 54.000 0.136 0.000 0.823 624 D CB -0.986 39.994 40.800 0.300 0.000 1.056 624 D HN 0.105 nan 8.370 nan 0.000 0.494 625 c N 1.019 119.648 118.600 0.048 0.000 2.667 625 c HA 0.031 4.601 4.570 -0.000 0.000 0.287 625 c C -0.637 173.398 174.090 -0.091 0.000 1.256 625 c CA 0.763 57.063 56.329 -0.049 0.000 1.738 625 c CB -0.942 41.505 42.510 -0.104 0.000 2.113 625 c HN 0.124 nan 8.230 nan 0.000 0.470 626 P HA 0.100 nan 4.420 nan 0.000 0.228 626 P C 1.346 178.620 177.300 -0.043 0.000 1.151 626 P CA 1.950 65.010 63.100 -0.066 0.000 0.770 626 P CB -0.399 31.274 31.700 -0.044 0.000 0.786 627 G N 1.459 110.251 108.800 -0.014 0.000 2.607 627 G HA2 -0.169 3.791 3.960 -0.000 0.000 0.215 627 G HA3 -0.169 3.791 3.960 -0.000 0.000 0.215 627 G C 1.097 176.012 174.900 0.025 0.000 1.275 627 G CA 0.725 45.833 45.100 0.013 0.000 0.842 627 G HN 0.376 nan 8.290 nan 0.000 0.555 628 K N -1.768 118.670 120.400 0.064 0.000 2.374 628 K HA 0.512 4.831 4.320 -0.000 0.000 0.202 628 K C -0.427 176.237 176.600 0.107 0.000 1.040 628 K CA -0.491 55.842 56.287 0.077 0.000 1.085 628 K CB 0.632 33.192 32.500 0.099 0.000 0.873 628 K HN 0.261 nan 8.250 nan 0.000 0.539 629 F N 0.231 120.119 119.950 -0.105 0.000 2.746 629 F HA 0.161 4.688 4.527 -0.000 0.000 0.319 629 F C -2.105 173.589 175.800 -0.177 0.000 1.091 629 F CA -1.242 56.639 58.000 -0.199 0.000 0.957 629 F CB 0.583 39.347 39.000 -0.393 0.000 1.256 629 F HN 0.002 nan 8.300 nan 0.000 0.477 630 c N 6.821 124.313 118.600 -1.847 0.000 2.322 630 c HA 0.478 5.048 4.570 -0.000 0.000 0.324 630 c C 1.229 174.542 174.090 -1.294 0.000 1.249 630 c CA -0.665 55.022 56.329 -1.071 0.000 1.453 630 c CB 0.433 42.594 42.510 -0.582 0.000 2.145 630 c HN 0.963 nan 8.230 nan 0.000 0.466 631 L N 2.798 123.675 121.223 -0.577 0.000 1.994 631 L HA 0.014 4.354 4.340 -0.000 0.000 0.208 631 L C 1.523 178.207 176.870 -0.310 0.000 1.071 631 L CA 2.321 56.955 54.840 -0.345 0.000 0.745 631 L CB -0.405 41.097 42.059 -0.927 0.000 0.892 631 L HN 0.665 nan 8.230 nan 0.000 0.431 632 F N -0.205 119.601 119.950 -0.239 0.000 2.695 632 F HA 0.259 4.785 4.527 -0.000 0.000 0.301 632 F C 0.419 176.152 175.800 -0.111 0.000 1.182 632 F CA -0.341 57.557 58.000 -0.170 0.000 1.412 632 F CB -1.128 37.759 39.000 -0.188 0.000 1.056 632 F HN -0.067 nan 8.300 nan 0.000 0.522 633 K N 0.112 120.488 120.400 -0.040 0.000 2.397 633 K HA 0.527 4.847 4.320 -0.000 0.000 0.253 633 K C 0.225 176.808 176.600 -0.028 0.000 0.932 633 K CA -0.435 55.818 56.287 -0.057 0.000 0.795 633 K CB 1.714 34.121 32.500 -0.154 0.000 1.159 633 K HN -0.063 nan 8.250 nan 0.000 0.424 634 S N 1.300 117.017 115.700 0.028 0.000 2.801 634 S HA 0.163 4.632 4.470 -0.000 0.000 0.236 634 S C -0.831 173.809 174.600 0.067 0.000 0.852 634 S CA -0.701 57.535 58.200 0.059 0.000 1.089 634 S CB -0.522 62.741 63.200 0.104 0.000 1.376 634 S HN 0.674 nan 8.310 nan 0.000 0.470 635 E N 2.288 122.518 120.200 0.049 0.000 2.230 635 E HA -0.213 4.136 4.350 -0.000 0.000 0.206 635 E C 0.375 177.031 176.600 0.094 0.000 1.309 635 E CA 0.663 57.100 56.400 0.062 0.000 0.697 635 E CB -2.207 27.530 29.700 0.062 0.000 1.146 635 E HN 1.327 nan 8.360 nan 0.000 0.363 636 T N -3.558 111.050 114.554 0.090 0.000 4.107 636 T HA -0.353 3.997 4.350 -0.000 0.000 0.332 636 T C 0.606 175.393 174.700 0.145 0.000 0.795 636 T CA 2.073 64.245 62.100 0.120 0.000 1.900 636 T CB -0.950 68.012 68.868 0.157 0.000 1.940 636 T HN 0.534 nan 8.240 nan 0.000 0.832 637 K N 0.610 121.086 120.400 0.126 0.000 2.358 637 K HA 0.181 4.501 4.320 -0.000 0.000 0.197 637 K C 0.549 177.227 176.600 0.129 0.000 1.025 637 K CA 0.012 56.378 56.287 0.131 0.000 1.104 637 K CB 0.258 32.831 32.500 0.121 0.000 0.855 637 K HN 0.400 nan 8.250 nan 0.000 0.531 638 N N 1.728 120.504 118.700 0.126 0.000 2.714 638 N HA -0.187 4.553 4.740 -0.000 0.000 0.253 638 N C -1.000 174.591 175.510 0.136 0.000 1.024 638 N CA 0.716 53.847 53.050 0.134 0.000 0.726 638 N CB -1.229 37.341 38.487 0.139 0.000 0.908 638 N HN 0.251 nan 8.380 nan 0.000 0.542 639 L N 1.167 122.476 121.223 0.142 0.000 2.385 639 L HA 0.129 4.469 4.340 -0.000 0.000 0.281 639 L C 1.892 178.849 176.870 0.146 0.000 1.106 639 L CA -0.088 54.836 54.840 0.139 0.000 0.856 639 L CB 0.162 42.306 42.059 0.141 0.000 1.186 639 L HN 0.397 nan 8.230 nan 0.000 0.453 640 L N 2.021 123.269 121.223 0.042 0.000 3.271 640 L HA -0.352 3.988 4.340 -0.000 0.000 0.385 640 L C -0.292 176.166 176.870 -0.685 0.000 0.696 640 L CA 1.464 56.169 54.840 -0.226 0.000 3.118 640 L CB -1.034 40.951 42.059 -0.123 0.000 0.639 640 L HN 0.424 nan 8.230 nan 0.000 0.752 641 F N -1.568 118.464 119.950 0.136 0.000 2.692 641 F HA 0.450 4.976 4.527 -0.000 0.000 0.320 641 F C 0.523 176.350 175.800 0.045 0.000 1.123 641 F CA -1.080 56.975 58.000 0.092 0.000 0.961 641 F CB 0.382 39.411 39.000 0.050 0.000 1.383 641 F HN -0.197 nan 8.300 nan 0.000 0.483 642 N N 1.332 120.138 118.700 0.177 0.000 2.492 642 N HA -0.009 4.731 4.740 -0.000 0.000 0.260 642 N C 0.297 175.845 175.510 0.064 0.000 1.215 642 N CA 0.232 53.322 53.050 0.067 0.000 0.923 642 N CB 0.788 39.233 38.487 -0.069 0.000 1.092 642 N HN 0.613 nan 8.380 nan 0.000 0.448 643 D N 0.579 121.013 120.400 0.056 0.000 2.309 643 D HA -0.124 4.516 4.640 -0.000 0.000 0.212 643 D C 0.879 177.183 176.300 0.006 0.000 0.968 643 D CA 0.960 54.989 54.000 0.049 0.000 0.882 643 D CB 0.067 40.895 40.800 0.046 0.000 0.918 643 D HN 0.585 nan 8.370 nan 0.000 0.503 644 N N -0.088 118.584 118.700 -0.045 0.000 2.268 644 N HA -0.053 4.687 4.740 -0.000 0.000 0.204 644 N C -0.236 175.207 175.510 -0.111 0.000 1.124 644 N CA -0.041 52.966 53.050 -0.071 0.000 0.838 644 N CB -0.405 38.022 38.487 -0.100 0.000 0.994 644 N HN -0.270 nan 8.380 nan 0.000 0.489 645 T N 1.193 115.647 114.554 -0.168 0.000 2.793 645 T HA -0.021 4.329 4.350 -0.000 0.000 0.289 645 T C 1.087 175.544 174.700 -0.406 0.000 0.956 645 T CA 0.090 61.953 62.100 -0.395 0.000 1.177 645 T CB 1.269 69.652 68.868 -0.808 0.000 0.897 645 T HN 0.305 nan 8.240 nan 0.000 0.533 646 E N 1.506 121.542 120.200 -0.273 0.000 2.028 646 E HA -0.021 4.329 4.350 -0.000 0.000 0.190 646 E C 1.062 177.566 176.600 -0.159 0.000 0.984 646 E CA 0.925 57.250 56.400 -0.126 0.000 0.800 646 E CB 0.266 29.924 29.700 -0.071 0.000 0.758 646 E HN 0.890 nan 8.360 nan 0.000 0.448 647 c N -2.567 115.823 118.600 -0.350 0.000 3.253 647 c HA 0.546 5.116 4.570 -0.000 0.000 0.361 647 c C -1.726 172.198 174.090 -0.276 0.000 1.498 647 c CA -1.346 54.832 56.329 -0.251 0.000 1.163 647 c CB -0.014 42.544 42.510 0.080 0.000 1.687 647 c HN 0.158 nan 8.230 nan 0.000 0.430 648 L N 1.893 123.082 121.223 -0.056 0.000 2.341 648 L HA 0.786 5.125 4.340 -0.000 0.000 0.278 648 L C 0.499 177.411 176.870 0.069 0.000 1.005 648 L CA 0.059 54.885 54.840 -0.022 0.000 0.818 648 L CB 1.583 43.636 42.059 -0.010 0.000 1.259 648 L HN 1.126 nan 8.230 nan 0.000 0.418 649 A N 2.499 125.360 122.820 0.067 0.000 2.387 649 A HA 0.687 5.006 4.320 -0.000 0.000 0.298 649 A C -0.734 176.925 177.584 0.124 0.000 1.165 649 A CA -0.703 51.407 52.037 0.122 0.000 0.814 649 A CB 1.002 20.061 19.000 0.097 0.000 1.357 649 A HN 0.581 nan 8.150 nan 0.000 0.443 650 E N 0.674 120.984 120.200 0.183 0.000 2.384 650 E HA 0.103 4.453 4.350 -0.000 0.000 0.266 650 E C 0.222 176.915 176.600 0.155 0.000 1.012 650 E CA -0.036 56.471 56.400 0.180 0.000 0.901 650 E CB 0.689 30.524 29.700 0.226 0.000 0.967 650 E HN 0.533 nan 8.360 nan 0.000 0.435 651 L N 2.164 123.474 121.223 0.144 0.000 2.650 651 L HA -0.074 4.266 4.340 -0.000 0.000 0.235 651 L C 0.510 177.476 176.870 0.160 0.000 1.149 651 L CA 0.199 55.148 54.840 0.180 0.000 0.887 651 L CB -0.531 41.633 42.059 0.175 0.000 1.021 651 L HN 0.432 nan 8.230 nan 0.000 0.441 652 Q N 0.132 120.011 119.800 0.131 0.000 2.439 652 Q HA -0.280 4.059 4.340 -0.000 0.000 0.325 652 Q C 1.308 177.361 176.000 0.089 0.000 1.372 652 Q CA 0.599 56.463 55.803 0.103 0.000 0.909 652 Q CB -1.924 26.866 28.738 0.087 0.000 1.167 652 Q HN 0.776 nan 8.270 nan 0.000 0.418 653 G N -0.223 108.631 108.800 0.090 0.000 2.353 653 G HA2 -0.364 3.596 3.960 -0.000 0.000 0.258 653 G HA3 -0.364 3.596 3.960 -0.000 0.000 0.258 653 G C 0.166 175.115 174.900 0.082 0.000 1.013 653 G CA 0.696 45.841 45.100 0.074 0.000 0.622 653 G HN 0.314 nan 8.290 nan 0.000 0.535 654 K N 1.781 122.248 120.400 0.112 0.000 2.366 654 K HA 0.234 4.554 4.320 -0.000 0.000 0.279 654 K C 1.389 178.073 176.600 0.140 0.000 1.098 654 K CA 1.212 57.582 56.287 0.139 0.000 1.087 654 K CB 0.337 32.976 32.500 0.232 0.000 0.901 654 K HN 0.678 nan 8.250 nan 0.000 0.463 655 T N -2.473 112.133 114.554 0.086 0.000 2.959 655 T HA -0.008 4.342 4.350 -0.000 0.000 0.254 655 T C 0.857 175.580 174.700 0.040 0.000 1.003 655 T CA -0.214 61.923 62.100 0.062 0.000 0.950 655 T CB 0.199 69.091 68.868 0.040 0.000 1.090 655 T HN 0.493 nan 8.240 nan 0.000 0.503 656 T N 0.142 114.708 114.554 0.021 0.000 2.895 656 T HA 0.463 4.813 4.350 -0.000 0.000 0.283 656 T C 1.161 175.865 174.700 0.006 0.000 1.014 656 T CA -0.662 61.408 62.100 -0.050 0.000 1.037 656 T CB 1.324 70.096 68.868 -0.159 0.000 1.006 656 T HN 0.239 nan 8.240 nan 0.000 0.468 657 Y N 1.999 122.315 120.300 0.026 0.000 2.069 657 Y HA -0.175 4.375 4.550 -0.000 0.000 0.278 657 Y C 1.893 177.840 175.900 0.078 0.000 1.175 657 Y CA 1.978 60.107 58.100 0.048 0.000 1.134 657 Y CB -1.560 36.883 38.460 -0.028 0.000 0.965 657 Y HN 0.712 nan 8.280 nan 0.000 0.498 658 E N 0.608 120.766 120.200 -0.071 0.000 2.097 658 E HA -0.262 4.088 4.350 -0.000 0.000 0.196 658 E C 2.188 178.845 176.600 0.095 0.000 1.000 658 E CA 2.129 58.577 56.400 0.079 0.000 0.804 658 E CB -0.410 29.191 29.700 -0.166 0.000 0.740 658 E HN 0.745 nan 8.360 nan 0.000 0.454 659 Q N -0.815 119.012 119.800 0.044 0.000 2.096 659 Q HA -0.211 4.129 4.340 -0.000 0.000 0.204 659 Q C 1.962 178.026 176.000 0.106 0.000 0.982 659 Q CA 1.588 57.429 55.803 0.062 0.000 0.850 659 Q CB -0.277 28.490 28.738 0.049 0.000 0.901 659 Q HN 0.410 nan 8.270 nan 0.000 0.422 660 Y N 0.628 120.972 120.300 0.074 0.000 2.263 660 Y HA -0.094 4.455 4.550 -0.001 0.000 0.292 660 Y C 1.618 177.581 175.900 0.105 0.000 1.130 660 Y CA 1.121 59.274 58.100 0.087 0.000 1.179 660 Y CB 0.222 38.743 38.460 0.102 0.000 0.998 660 Y HN -0.017 nan 8.280 nan 0.000 0.532 661 L N -0.925 120.402 121.223 0.173 0.000 2.253 661 L HA 0.319 4.659 4.340 -0.000 0.000 0.205 661 L C 0.965 177.906 176.870 0.120 0.000 1.078 661 L CA 0.381 55.323 54.840 0.171 0.000 0.805 661 L CB -0.613 41.673 42.059 0.378 0.000 0.963 661 L HN 0.270 nan 8.230 nan 0.000 0.459 662 G N 0.223 109.095 108.800 0.121 0.000 2.777 662 G HA2 -0.233 3.727 3.960 -0.000 0.000 0.686 662 G HA3 -0.233 3.727 3.960 -0.000 0.000 0.686 662 G C 0.674 175.645 174.900 0.120 0.000 1.177 662 G CA -0.127 45.024 45.100 0.085 0.000 0.775 662 G HN 0.239 nan 8.290 nan 0.000 0.613 663 S N 1.390 117.139 115.700 0.082 0.000 2.435 663 S HA -0.352 4.118 4.470 -0.000 0.000 0.250 663 S C 2.052 176.711 174.600 0.098 0.000 1.065 663 S CA 2.979 61.226 58.200 0.078 0.000 1.243 663 S CB -0.794 62.435 63.200 0.049 0.000 1.158 663 S HN 1.651 nan 8.310 nan 0.000 0.430 664 E N 1.770 122.025 120.200 0.091 0.000 2.054 664 E HA -0.279 4.071 4.350 -0.000 0.000 0.225 664 E C 1.769 178.464 176.600 0.159 0.000 1.048 664 E CA 1.813 58.275 56.400 0.103 0.000 0.899 664 E CB -1.519 28.232 29.700 0.084 0.000 0.801 664 E HN 0.579 nan 8.360 nan 0.000 0.495 665 Y N 1.536 121.851 120.300 0.025 0.000 2.096 665 Y HA -0.298 4.251 4.550 -0.000 0.000 0.276 665 Y C 2.445 178.378 175.900 0.054 0.000 1.209 665 Y CA 1.435 59.549 58.100 0.024 0.000 1.137 665 Y CB -0.837 37.633 38.460 0.016 0.000 0.956 665 Y HN 0.008 nan 8.280 nan 0.000 0.506 666 V N -0.322 119.643 119.914 0.086 0.000 2.231 666 V HA -0.404 3.716 4.120 -0.000 0.000 0.248 666 V C 2.333 178.462 176.094 0.057 0.000 1.054 666 V CA 2.795 65.130 62.300 0.059 0.000 1.015 666 V CB -1.146 30.766 31.823 0.147 0.000 0.638 666 V HN 0.538 nan 8.190 nan 0.000 0.444 667 T N -1.022 113.575 114.554 0.072 0.000 2.746 667 T HA -0.225 4.125 4.350 -0.000 0.000 0.267 667 T C 2.094 176.807 174.700 0.022 0.000 1.039 667 T CA 1.765 63.898 62.100 0.055 0.000 1.142 667 T CB -0.410 68.495 68.868 0.061 0.000 0.866 667 T HN 0.505 nan 8.240 nan 0.000 0.444 668 S N 0.959 116.682 115.700 0.038 0.000 2.359 668 S HA -0.127 4.343 4.470 -0.000 0.000 0.223 668 S C 2.037 176.596 174.600 -0.070 0.000 1.039 668 S CA 1.304 59.524 58.200 0.034 0.000 1.042 668 S CB -0.584 62.699 63.200 0.138 0.000 0.915 668 S HN 0.495 nan 8.310 nan 0.000 0.439 669 I N 1.255 121.720 120.570 -0.176 0.000 2.226 669 I HA -0.156 4.014 4.170 -0.000 0.000 0.245 669 I C 2.515 178.446 176.117 -0.311 0.000 1.100 669 I CA 1.694 62.782 61.300 -0.353 0.000 1.374 669 I CB -0.967 36.647 38.000 -0.645 0.000 1.057 669 I HN 0.455 nan 8.210 nan 0.000 0.413 670 T N -0.739 113.729 114.554 -0.144 0.000 2.962 670 T HA -0.048 4.302 4.350 -0.000 0.000 0.270 670 T C 1.576 176.216 174.700 -0.099 0.000 1.088 670 T CA 0.830 62.886 62.100 -0.073 0.000 1.127 670 T CB -0.397 68.505 68.868 0.058 0.000 0.883 670 T HN 0.260 nan 8.240 nan 0.000 0.493 671 N N 1.686 120.320 118.700 -0.110 0.000 2.080 671 N HA 0.086 4.826 4.740 -0.000 0.000 0.189 671 N C 1.821 177.142 175.510 -0.315 0.000 1.036 671 N CA 0.794 53.764 53.050 -0.133 0.000 0.846 671 N CB -0.677 37.776 38.487 -0.055 0.000 1.015 671 N HN 0.317 nan 8.380 nan 0.000 0.423 672 L N 0.977 121.986 121.223 -0.357 0.000 2.127 672 L HA -0.116 4.224 4.340 -0.000 0.000 0.211 672 L C 2.255 178.952 176.870 -0.289 0.000 1.089 672 L CA 1.025 55.612 54.840 -0.422 0.000 0.757 672 L CB -0.200 41.645 42.059 -0.356 0.000 0.899 672 L HN 0.178 nan 8.230 nan 0.000 0.434 673 R N -0.487 119.869 120.500 -0.240 0.000 2.200 673 R HA -0.206 4.133 4.340 -0.000 0.000 0.234 673 R C 2.244 178.479 176.300 -0.109 0.000 1.127 673 R CA 1.008 57.011 56.100 -0.162 0.000 0.989 673 R CB -0.405 29.805 30.300 -0.150 0.000 0.869 673 R HN 0.343 nan 8.270 nan 0.000 0.459 674 R N 0.329 120.744 120.500 -0.142 0.000 2.193 674 R HA -0.125 4.215 4.340 -0.000 0.000 0.229 674 R C 1.688 177.943 176.300 -0.075 0.000 1.110 674 R CA 1.177 57.220 56.100 -0.094 0.000 0.988 674 R CB -0.144 30.099 30.300 -0.094 0.000 0.871 674 R HN 0.220 nan 8.270 nan 0.000 0.458 675 c N -1.086 117.449 118.600 -0.108 0.000 4.166 675 c HA 0.183 4.753 4.570 -0.000 0.000 0.291 675 c C 1.542 175.689 174.090 0.096 0.000 1.326 675 c CA 0.389 56.735 56.329 0.029 0.000 1.755 675 c CB 0.101 42.798 42.510 0.311 0.000 2.155 675 c HN 0.509 nan 8.230 nan 0.000 0.516 676 S N -0.779 114.998 115.700 0.129 0.000 2.689 676 S HA 0.632 5.102 4.470 -0.000 0.000 0.306 676 S C -0.855 173.746 174.600 0.001 0.000 1.104 676 S CA -0.291 57.962 58.200 0.089 0.000 0.973 676 S CB 1.541 64.834 63.200 0.154 0.000 1.121 676 S HN 0.469 nan 8.310 nan 0.000 0.523 677 S N 0.936 116.637 115.700 0.003 0.000 2.547 677 S HA 0.651 5.121 4.470 -0.000 0.000 0.281 677 S C -0.766 173.821 174.600 -0.021 0.000 1.118 677 S CA -0.620 57.568 58.200 -0.021 0.000 0.947 677 S CB 1.297 64.492 63.200 -0.009 0.000 1.053 677 S HN 0.922 nan 8.310 nan 0.000 0.482 678 S N 4.411 120.090 115.700 -0.036 0.000 2.654 678 S HA 0.618 5.088 4.470 -0.000 0.000 0.283 678 S C -1.685 172.906 174.600 -0.014 0.000 1.180 678 S CA -1.196 56.987 58.200 -0.029 0.000 1.021 678 S CB 1.156 64.330 63.200 -0.044 0.000 1.018 678 S HN 0.548 nan 8.310 nan 0.000 0.532 679 P HA -0.161 nan 4.420 nan 0.000 0.211 679 P C 1.734 179.035 177.300 0.000 0.000 1.179 679 P CA 0.905 64.000 63.100 -0.009 0.000 0.910 679 P CB -0.059 31.636 31.700 -0.009 0.000 0.785 680 L N -1.270 119.958 121.223 0.010 0.000 2.083 680 L HA -0.150 4.190 4.340 -0.000 0.000 0.209 680 L C 2.690 179.576 176.870 0.027 0.000 1.083 680 L CA 1.198 56.051 54.840 0.021 0.000 0.752 680 L CB -0.835 41.243 42.059 0.033 0.000 0.899 680 L HN -0.065 nan 8.230 nan 0.000 0.433 681 L N 0.229 121.465 121.223 0.021 0.000 2.079 681 L HA -0.251 4.088 4.340 -0.000 0.000 0.210 681 L C 2.365 179.257 176.870 0.037 0.000 1.081 681 L CA 1.738 56.598 54.840 0.033 0.000 0.752 681 L CB -0.410 41.669 42.059 0.032 0.000 0.896 681 L HN 0.248 nan 8.230 nan 0.000 0.433 682 E N -1.168 119.048 120.200 0.026 0.000 2.028 682 E HA -0.220 4.130 4.350 -0.000 0.000 0.191 682 E C 2.209 178.840 176.600 0.052 0.000 0.988 682 E CA 1.041 57.459 56.400 0.031 0.000 0.799 682 E CB -0.265 29.441 29.700 0.009 0.000 0.755 682 E HN 0.583 nan 8.360 nan 0.000 0.447 683 A N 0.964 123.806 122.820 0.038 0.000 1.870 683 A HA -0.311 4.009 4.320 -0.000 0.000 0.219 683 A C 2.510 180.165 177.584 0.118 0.000 1.224 683 A CA 1.929 53.997 52.037 0.053 0.000 0.650 683 A CB -1.296 17.724 19.000 0.034 0.000 0.836 683 A HN 0.462 nan 8.150 nan 0.000 0.454 684 c N -1.270 117.383 118.600 0.087 0.000 2.398 684 c HA -0.043 4.526 4.570 -0.000 0.000 0.276 684 c C 3.302 177.454 174.090 0.102 0.000 1.222 684 c CA 0.974 57.355 56.329 0.087 0.000 1.746 684 c CB -1.648 40.892 42.510 0.050 0.000 2.039 684 c HN 0.754 nan 8.230 nan 0.000 0.470 685 A N 0.003 122.877 122.820 0.091 0.000 1.944 685 A HA -0.337 3.983 4.320 -0.000 0.000 0.222 685 A C 1.937 179.594 177.584 0.121 0.000 1.237 685 A CA 2.585 54.674 52.037 0.088 0.000 0.668 685 A CB -0.964 18.085 19.000 0.082 0.000 0.830 685 A HN 0.661 nan 8.150 nan 0.000 0.471 686 F N 0.068 120.022 119.950 0.007 0.000 2.270 686 F HA 0.094 4.621 4.527 -0.000 0.000 0.295 686 F C 1.786 177.594 175.800 0.013 0.000 1.087 686 F CA 1.175 59.182 58.000 0.012 0.000 1.365 686 F CB -0.273 38.736 39.000 0.015 0.000 1.056 686 F HN 0.131 nan 8.300 nan 0.000 0.506 687 L N 0.174 121.567 121.223 0.284 0.000 2.017 687 L HA -0.151 4.189 4.340 -0.000 0.000 0.208 687 L C 2.509 179.333 176.870 -0.075 0.000 1.073 687 L CA 1.125 56.027 54.840 0.104 0.000 0.745 687 L CB -0.737 41.417 42.059 0.158 0.000 0.894 687 L HN -0.015 nan 8.230 nan 0.000 0.432 688 R N 0.497 120.973 120.500 -0.039 0.000 2.240 688 R HA 0.201 4.541 4.340 -0.000 0.000 0.203 688 R C 1.134 177.387 176.300 -0.078 0.000 1.011 688 R CA 0.535 56.605 56.100 -0.050 0.000 1.007 688 R CB -0.593 29.699 30.300 -0.014 0.000 0.911 688 R HN 0.308 nan 8.270 nan 0.000 0.468 689 A N 0.000 122.755 122.820 -0.109 0.000 2.254 689 A HA 0.000 4.320 4.320 -0.000 0.000 0.244 689 A CA 0.000 51.968 52.037 -0.116 0.000 0.836 689 A CB 0.000 18.894 19.000 -0.177 0.000 0.831 689 A HN 0.000 nan 8.150 nan 0.000 0.486