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 3ibb_1_E DATA FIRST_RESID 10 DATA SEQUENCE DIHTTAGKLA DLRRRIEEAT HAGSARAVEK QHAKGKLTAR ERIDLLLDEG DATA SEQUENCE SFVELDEFAR HRSTNFGLDA NRPYGDGVVT GYGTVDGRPV AVFSQDFTVF DATA SEQUENCE GGALGEVYGQ KIVKVMDFAL KTGCPVVGIN DSGGARIQEG VASLGAYGEI DATA SEQUENCE FRRNTHASGV IPQISLVVGP CAGGAVYSPA ITDFTVMVDQ TSHMFITGPD DATA SEQUENCE VIKTVTGEDV GFEELGGART HNSTSGVAHH MAGDEKDAVE YVKQLLSYLP DATA SEQUENCE SNNLSEPPAF PEEADLAVTD EDAELDTIVP DSANQPYDMH SVIEHVLDDA DATA SEQUENCE EFFETQPLFA PNILTGFGRV EGRPVGIVAN QPMQFAGCLD ITASEKAARF DATA SEQUENCE VRTCDAFNVP VLTFVDVPGF LPGVDQEHDG IIRRGAKLIF AYAEATVPLI DATA SEQUENCE TVITRKAFGG AYAVMGSKHL GADLNLAWPT AQIAVMGAQG AVNILHRRTI DATA SEQUENCE ADAGDDAEAT RARLIQEYED ALLNPYTAAE RGYVDAVIMP SDTRRHIVRG DATA SEQUENCE LRQLRTKRES LPPKKHGNIP L 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 10 D HA 0.000 nan 4.640 nan 0.000 0.175 10 D C 0.000 176.342 176.300 0.069 0.000 2.045 10 D CA 0.000 54.036 54.000 0.061 0.000 0.868 10 D CB 0.000 40.852 40.800 0.087 0.000 0.688 11 I N -0.381 120.258 120.570 0.115 0.000 4.607 11 I HA 0.123 4.293 4.170 -0.000 0.000 0.324 11 I C 1.586 177.727 176.117 0.040 0.000 1.279 11 I CA 0.533 61.862 61.300 0.049 0.000 1.286 11 I CB 0.307 38.306 38.000 -0.002 0.000 1.265 11 I HN 0.138 nan 8.210 nan 0.000 0.446 12 H N 1.227 120.293 119.070 -0.007 0.000 2.387 12 H HA -0.056 4.500 4.556 -0.000 0.000 0.299 12 H C 1.103 176.426 175.328 -0.009 0.000 1.099 12 H CA 1.739 57.782 56.048 -0.008 0.000 1.315 12 H CB -0.675 29.083 29.762 -0.006 0.000 1.380 12 H HN 0.429 nan 8.280 nan 0.000 0.513 13 T N -2.605 112.023 114.554 0.123 0.000 2.828 13 T HA 0.036 4.386 4.350 -0.000 0.000 0.290 13 T C 1.567 176.284 174.700 0.028 0.000 1.019 13 T CA 0.011 62.148 62.100 0.061 0.000 1.031 13 T CB 1.248 70.142 68.868 0.044 0.000 1.001 13 T HN 0.147 nan 8.240 nan 0.000 0.531 14 T N 1.550 116.114 114.554 0.016 0.000 2.708 14 T HA -0.030 4.320 4.350 -0.000 0.000 0.266 14 T C 2.419 177.119 174.700 0.000 0.000 1.037 14 T CA 1.401 63.503 62.100 0.003 0.000 1.146 14 T CB -0.868 68.001 68.868 0.001 0.000 0.865 14 T HN 0.813 nan 8.240 nan 0.000 0.435 15 A N 1.355 124.178 122.820 0.005 0.000 1.933 15 A HA 0.131 4.451 4.320 -0.000 0.000 0.218 15 A C 2.612 180.198 177.584 0.004 0.000 1.175 15 A CA 1.827 53.866 52.037 0.003 0.000 0.628 15 A CB -1.339 17.664 19.000 0.005 0.000 0.814 15 A HN 0.513 nan 8.150 nan 0.000 0.444 16 G N -0.240 108.566 108.800 0.010 0.000 2.421 16 G HA2 -0.232 3.728 3.960 -0.000 0.000 0.216 16 G HA3 -0.232 3.728 3.960 -0.000 0.000 0.216 16 G C 1.679 176.579 174.900 -0.000 0.000 1.171 16 G CA 1.092 46.199 45.100 0.011 0.000 0.775 16 G HN 0.569 nan 8.290 nan 0.000 0.543 17 K N -0.296 120.099 120.400 -0.008 0.000 2.057 17 K HA 0.051 4.371 4.320 -0.000 0.000 0.207 17 K C 2.434 179.016 176.600 -0.029 0.000 1.049 17 K CA 0.883 57.155 56.287 -0.025 0.000 0.931 17 K CB -0.295 32.185 32.500 -0.033 0.000 0.714 17 K HN 0.303 nan 8.250 nan 0.000 0.440 18 L N 0.647 121.857 121.223 -0.022 0.000 2.046 18 L HA -0.192 4.148 4.340 -0.000 0.000 0.208 18 L C 2.326 179.187 176.870 -0.015 0.000 1.077 18 L CA 1.460 56.287 54.840 -0.022 0.000 0.747 18 L CB -0.301 41.749 42.059 -0.014 0.000 0.896 18 L HN 0.152 nan 8.230 nan 0.000 0.432 19 A N -0.709 122.106 122.820 -0.007 0.000 1.972 19 A HA -0.294 4.026 4.320 -0.000 0.000 0.219 19 A C 1.904 179.488 177.584 -0.001 0.000 1.169 19 A CA 1.886 53.922 52.037 -0.001 0.000 0.635 19 A CB -0.807 18.195 19.000 0.004 0.000 0.810 19 A HN 0.615 nan 8.150 nan 0.000 0.446 20 D N -0.609 119.786 120.400 -0.008 0.000 2.149 20 D HA -0.164 4.476 4.640 -0.000 0.000 0.198 20 D C 1.724 178.011 176.300 -0.020 0.000 0.990 20 D CA 1.289 55.282 54.000 -0.012 0.000 0.839 20 D CB -0.154 40.632 40.800 -0.023 0.000 0.948 20 D HN 0.274 nan 8.370 nan 0.000 0.460 21 L N 0.744 121.948 121.223 -0.032 0.000 2.046 21 L HA -0.071 4.269 4.340 -0.000 0.000 0.208 21 L C 2.141 179.017 176.870 0.011 0.000 1.077 21 L CA 1.636 56.452 54.840 -0.039 0.000 0.747 21 L CB -0.429 41.600 42.059 -0.050 0.000 0.896 21 L HN -0.010 nan 8.230 nan 0.000 0.432 22 R N -0.722 119.787 120.500 0.014 0.000 2.096 22 R HA -0.151 4.189 4.340 -0.000 0.000 0.235 22 R C 2.371 178.693 176.300 0.037 0.000 1.127 22 R CA 1.251 57.368 56.100 0.029 0.000 0.968 22 R CB -0.738 29.574 30.300 0.020 0.000 0.861 22 R HN 0.385 nan 8.270 nan 0.000 0.440 23 R N 2.309 122.825 120.500 0.027 0.000 2.073 23 R HA -0.121 4.219 4.340 -0.000 0.000 0.234 23 R C 1.914 178.241 176.300 0.045 0.000 1.134 23 R CA 1.660 57.779 56.100 0.032 0.000 0.952 23 R CB -0.178 30.138 30.300 0.027 0.000 0.850 23 R HN 0.232 nan 8.270 nan 0.000 0.433 24 R N 0.105 120.625 120.500 0.034 0.000 2.096 24 R HA -0.093 4.247 4.340 -0.000 0.000 0.235 24 R C 2.416 178.733 176.300 0.027 0.000 1.127 24 R CA 1.269 57.371 56.100 0.004 0.000 0.968 24 R CB -0.624 29.643 30.300 -0.055 0.000 0.861 24 R HN 0.182 nan 8.270 nan 0.000 0.440 25 I N 1.719 122.344 120.570 0.092 0.000 2.208 25 I HA -0.272 3.898 4.170 -0.000 0.000 0.245 25 I C 2.370 178.495 176.117 0.014 0.000 1.097 25 I CA 1.598 62.919 61.300 0.034 0.000 1.363 25 I CB -0.243 37.798 38.000 0.069 0.000 1.051 25 I HN 0.197 nan 8.210 nan 0.000 0.413 26 E N 0.184 120.433 120.200 0.082 0.000 2.110 26 E HA -0.249 4.101 4.350 -0.000 0.000 0.193 26 E C 2.002 178.754 176.600 0.254 0.000 0.988 26 E CA 1.288 57.803 56.400 0.193 0.000 0.804 26 E CB -0.110 29.654 29.700 0.106 0.000 0.745 26 E HN 0.591 nan 8.360 nan 0.000 0.458 27 E N 0.071 120.356 120.200 0.142 0.000 2.110 27 E HA -0.205 4.145 4.350 -0.000 0.000 0.193 27 E C 1.993 178.692 176.600 0.165 0.000 0.988 27 E CA 0.966 57.474 56.400 0.179 0.000 0.804 27 E CB -0.097 29.751 29.700 0.247 0.000 0.745 27 E HN 0.340 nan 8.360 nan 0.000 0.458 28 A N 1.446 124.294 122.820 0.046 0.000 1.898 28 A HA -0.124 4.196 4.320 -0.000 0.000 0.214 28 A C 2.492 180.041 177.584 -0.059 0.000 1.183 28 A CA 1.752 53.763 52.037 -0.044 0.000 0.622 28 A CB -0.884 17.925 19.000 -0.319 0.000 0.824 28 A HN 0.357 nan 8.150 nan 0.000 0.444 29 T N -2.204 112.295 114.554 -0.091 0.000 2.788 29 T HA -0.180 4.170 4.350 -0.000 0.000 0.268 29 T C 1.163 175.689 174.700 -0.290 0.000 1.044 29 T CA 1.843 63.824 62.100 -0.198 0.000 1.139 29 T CB -0.557 68.157 68.868 -0.256 0.000 0.867 29 T HN 0.630 nan 8.240 nan 0.000 0.454 30 H N 0.325 119.396 119.070 0.003 0.000 2.487 30 H HA 0.734 5.290 4.556 -0.000 0.000 0.290 30 H C 1.948 177.283 175.328 0.012 0.000 1.081 30 H CA 0.035 56.089 56.048 0.010 0.000 1.116 30 H CB -0.057 29.713 29.762 0.014 0.000 1.560 30 H HN 0.454 nan 8.280 nan 0.000 0.548 31 A N 0.729 123.598 122.820 0.082 0.000 1.908 31 A HA -0.017 4.303 4.320 -0.000 0.000 0.218 31 A C 1.853 179.440 177.584 0.005 0.000 1.181 31 A CA 1.098 53.172 52.037 0.062 0.000 0.627 31 A CB -0.749 18.288 19.000 0.062 0.000 0.818 31 A HN 0.463 nan 8.150 nan 0.000 0.445 32 G N 0.190 108.983 108.800 -0.011 0.000 2.483 32 G HA2 0.402 4.362 3.960 -0.000 0.000 0.248 32 G HA3 0.402 4.362 3.960 -0.000 0.000 0.248 32 G C 0.357 175.238 174.900 -0.031 0.000 1.248 32 G CA 0.355 45.426 45.100 -0.048 0.000 0.838 32 G HN 0.850 nan 8.290 nan 0.000 0.566 33 S N 0.798 116.462 115.700 -0.059 0.000 2.552 33 S HA 0.290 4.760 4.470 -0.000 0.000 0.289 33 S C 1.603 176.194 174.600 -0.014 0.000 1.304 33 S CA 0.122 58.299 58.200 -0.038 0.000 1.063 33 S CB 1.427 64.594 63.200 -0.055 0.000 0.848 33 S HN 1.244 nan 8.310 nan 0.000 0.499 34 A N 3.391 126.213 122.820 0.002 0.000 1.933 34 A HA -0.132 4.188 4.320 -0.000 0.000 0.218 34 A C 2.269 179.856 177.584 0.005 0.000 1.175 34 A CA 1.535 53.582 52.037 0.016 0.000 0.628 34 A CB -0.742 18.272 19.000 0.022 0.000 0.814 34 A HN 0.994 nan 8.150 nan 0.000 0.444 35 R N -0.152 120.348 120.500 -0.000 0.000 2.096 35 R HA -0.070 4.270 4.340 -0.000 0.000 0.235 35 R C 2.148 178.445 176.300 -0.005 0.000 1.127 35 R CA 1.515 57.615 56.100 0.000 0.000 0.968 35 R CB -0.475 29.824 30.300 -0.001 0.000 0.861 35 R HN 0.373 nan 8.270 nan 0.000 0.440 36 A N 0.741 123.555 122.820 -0.010 0.000 1.902 36 A HA -0.083 4.237 4.320 -0.000 0.000 0.217 36 A C 2.277 179.846 177.584 -0.025 0.000 1.181 36 A CA 1.615 53.652 52.037 0.001 0.000 0.623 36 A CB -0.480 18.519 19.000 -0.002 0.000 0.818 36 A HN 0.230 nan 8.150 nan 0.000 0.443 37 V N -0.082 119.790 119.914 -0.069 0.000 2.407 37 V HA -0.261 3.858 4.120 -0.000 0.000 0.248 37 V C 2.343 178.295 176.094 -0.237 0.000 1.055 37 V CA 2.198 64.381 62.300 -0.195 0.000 1.049 37 V CB -0.877 30.840 31.823 -0.177 0.000 0.662 37 V HN 0.626 nan 8.190 nan 0.000 0.455 38 E N 0.117 120.283 120.200 -0.057 0.000 2.058 38 E HA -0.272 4.078 4.350 -0.000 0.000 0.194 38 E C 2.327 178.943 176.600 0.027 0.000 0.997 38 E CA 1.545 57.969 56.400 0.040 0.000 0.801 38 E CB -0.158 29.570 29.700 0.048 0.000 0.746 38 E HN 0.536 nan 8.360 nan 0.000 0.450 39 K N 0.752 121.145 120.400 -0.011 0.000 2.097 39 K HA -0.243 4.077 4.320 -0.000 0.000 0.205 39 K C 2.234 178.805 176.600 -0.049 0.000 1.050 39 K CA 1.420 57.699 56.287 -0.013 0.000 0.938 39 K CB 0.046 32.545 32.500 -0.001 0.000 0.718 39 K HN -0.052 nan 8.250 nan 0.000 0.442 40 Q N -0.067 119.676 119.800 -0.094 0.000 2.124 40 Q HA -0.193 4.147 4.340 -0.000 0.000 0.202 40 Q C 1.840 177.802 176.000 -0.064 0.000 0.977 40 Q CA 1.648 57.364 55.803 -0.146 0.000 0.850 40 Q CB -0.082 28.550 28.738 -0.177 0.000 0.901 40 Q HN 0.428 nan 8.270 nan 0.000 0.429 41 H N -0.562 118.485 119.070 -0.039 0.000 2.387 41 H HA -0.029 4.527 4.556 -0.000 0.000 0.299 41 H C 1.797 177.103 175.328 -0.037 0.000 1.090 41 H CA 1.431 57.460 56.048 -0.032 0.000 1.332 41 H CB -0.467 29.285 29.762 -0.016 0.000 1.386 41 H HN 0.460 nan 8.280 nan 0.000 0.516 42 A N 1.548 124.422 122.820 0.090 0.000 1.902 42 A HA -0.167 4.153 4.320 -0.000 0.000 0.217 42 A C 2.269 179.854 177.584 0.002 0.000 1.181 42 A CA 1.527 53.584 52.037 0.035 0.000 0.623 42 A CB -0.209 18.801 19.000 0.017 0.000 0.818 42 A HN 0.403 nan 8.150 nan 0.000 0.443 43 K N -1.580 118.804 120.400 -0.026 0.000 2.209 43 K HA 0.019 4.339 4.320 -0.000 0.000 0.204 43 K C 1.320 177.904 176.600 -0.027 0.000 1.048 43 K CA 0.907 57.167 56.287 -0.045 0.000 0.940 43 K CB -0.280 32.163 32.500 -0.096 0.000 0.729 43 K HN 0.848 nan 8.250 nan 0.000 0.451 44 G N 1.635 110.433 108.800 -0.004 0.000 2.179 44 G HA2 -0.241 3.719 3.960 -0.000 0.000 0.220 44 G HA3 -0.241 3.719 3.960 -0.000 0.000 0.220 44 G C -0.297 174.608 174.900 0.008 0.000 0.990 44 G CA -0.068 45.035 45.100 0.005 0.000 0.646 44 G HN 0.308 nan 8.290 nan 0.000 0.517 45 K N -0.153 120.242 120.400 -0.009 0.000 2.168 45 K HA 0.692 5.012 4.320 -0.000 0.000 0.258 45 K C -0.317 176.306 176.600 0.038 0.000 1.010 45 K CA -0.302 55.975 56.287 -0.016 0.000 0.929 45 K CB 0.929 33.380 32.500 -0.081 0.000 0.998 45 K HN 0.093 nan 8.250 nan 0.000 0.479 46 L N 0.451 121.692 121.223 0.030 0.000 2.386 46 L HA 0.265 4.605 4.340 -0.000 0.000 0.271 46 L C 0.269 177.149 176.870 0.017 0.000 0.993 46 L CA -0.574 54.309 54.840 0.073 0.000 0.819 46 L CB 1.631 43.737 42.059 0.077 0.000 1.294 46 L HN 0.707 nan 8.230 nan 0.000 0.414 47 T N 0.719 115.272 114.554 -0.002 0.000 2.932 47 T HA 0.265 4.615 4.350 -0.000 0.000 0.312 47 T C 1.443 176.138 174.700 -0.007 0.000 1.071 47 T CA 0.297 62.381 62.100 -0.027 0.000 1.128 47 T CB 0.820 69.655 68.868 -0.055 0.000 0.984 47 T HN 0.758 nan 8.240 nan 0.000 0.549 48 A N 4.500 127.322 122.820 0.004 0.000 2.024 48 A HA -0.088 4.232 4.320 -0.000 0.000 0.220 48 A C 2.528 180.094 177.584 -0.030 0.000 1.164 48 A CA 1.607 53.641 52.037 -0.004 0.000 0.643 48 A CB -0.569 18.445 19.000 0.023 0.000 0.806 48 A HN 0.954 nan 8.150 nan 0.000 0.451 49 R N -0.690 119.796 120.500 -0.022 0.000 2.096 49 R HA -0.140 4.200 4.340 -0.000 0.000 0.235 49 R C 2.077 178.354 176.300 -0.038 0.000 1.127 49 R CA 1.578 57.658 56.100 -0.033 0.000 0.968 49 R CB -0.221 30.063 30.300 -0.026 0.000 0.861 49 R HN 0.715 nan 8.270 nan 0.000 0.440 50 E N -0.021 120.169 120.200 -0.017 0.000 2.077 50 E HA -0.193 4.157 4.350 -0.000 0.000 0.193 50 E C 2.072 178.655 176.600 -0.028 0.000 0.989 50 E CA 1.181 57.577 56.400 -0.006 0.000 0.800 50 E CB 0.094 29.813 29.700 0.031 0.000 0.746 50 E HN 0.314 nan 8.360 nan 0.000 0.452 51 R N 0.346 120.824 120.500 -0.036 0.000 2.096 51 R HA -0.104 4.236 4.340 -0.000 0.000 0.235 51 R C 2.280 178.525 176.300 -0.092 0.000 1.127 51 R CA 0.809 56.879 56.100 -0.051 0.000 0.968 51 R CB -0.348 29.924 30.300 -0.047 0.000 0.861 51 R HN 0.187 nan 8.270 nan 0.000 0.440 52 I N 2.054 122.542 120.570 -0.135 0.000 2.142 52 I HA -0.254 3.916 4.170 -0.000 0.000 0.240 52 I C 1.951 177.933 176.117 -0.224 0.000 1.078 52 I CA 1.556 62.709 61.300 -0.245 0.000 1.343 52 I CB -1.003 36.777 38.000 -0.366 0.000 1.046 52 I HN 0.194 nan 8.210 nan 0.000 0.405 53 D N 0.351 120.665 120.400 -0.144 0.000 2.117 53 D HA -0.177 4.463 4.640 -0.000 0.000 0.197 53 D C 2.168 178.431 176.300 -0.062 0.000 0.987 53 D CA 0.947 54.894 54.000 -0.089 0.000 0.829 53 D CB 0.058 40.838 40.800 -0.033 0.000 0.961 53 D HN 0.139 nan 8.370 nan 0.000 0.460 54 L N 1.133 122.325 121.223 -0.052 0.000 2.046 54 L HA -0.129 4.211 4.340 -0.000 0.000 0.208 54 L C 2.191 179.042 176.870 -0.032 0.000 1.077 54 L CA 1.268 56.090 54.840 -0.030 0.000 0.747 54 L CB -0.806 41.241 42.059 -0.020 0.000 0.896 54 L HN -0.000 nan 8.230 nan 0.000 0.432 55 L N -0.775 120.417 121.223 -0.052 0.000 2.027 55 L HA -0.020 4.320 4.340 -0.000 0.000 0.206 55 L C 0.889 177.733 176.870 -0.044 0.000 1.074 55 L CA 1.333 56.145 54.840 -0.047 0.000 0.745 55 L CB -0.451 41.571 42.059 -0.061 0.000 0.898 55 L HN 0.120 nan 8.230 nan 0.000 0.433 56 L N 0.396 121.576 121.223 -0.072 0.000 2.453 56 L HA 0.203 4.543 4.340 -0.000 0.000 0.261 56 L C 0.160 177.028 176.870 -0.003 0.000 1.179 56 L CA -0.617 54.200 54.840 -0.038 0.000 0.813 56 L CB -0.082 41.929 42.059 -0.080 0.000 1.110 56 L HN 0.062 nan 8.230 nan 0.000 0.466 57 D N 0.367 120.784 120.400 0.028 0.000 2.360 57 D HA 0.025 4.665 4.640 -0.000 0.000 0.242 57 D C -0.016 176.310 176.300 0.043 0.000 1.184 57 D CA -0.307 53.712 54.000 0.032 0.000 0.930 57 D CB 0.513 41.335 40.800 0.037 0.000 1.161 57 D HN 0.474 nan 8.370 nan 0.000 0.447 58 E N -0.203 120.017 120.200 0.033 0.000 2.415 58 E HA 0.200 4.550 4.350 -0.000 0.000 0.260 58 E C 0.707 177.337 176.600 0.049 0.000 1.016 58 E CA 0.106 56.527 56.400 0.034 0.000 0.924 58 E CB 0.011 29.726 29.700 0.024 0.000 0.961 58 E HN 0.627 nan 8.360 nan 0.000 0.459 59 G N 3.683 112.521 108.800 0.062 0.000 2.321 59 G HA2 -0.379 3.581 3.960 -0.000 0.000 0.287 59 G HA3 -0.379 3.581 3.960 -0.000 0.000 0.287 59 G C 0.862 175.812 174.900 0.084 0.000 1.018 59 G CA 0.923 46.065 45.100 0.071 0.000 0.855 59 G HN 0.700 nan 8.290 nan 0.000 0.507 60 S N -1.278 114.487 115.700 0.108 0.000 2.382 60 S HA 0.111 4.581 4.470 -0.000 0.000 0.228 60 S C 1.175 175.888 174.600 0.187 0.000 1.027 60 S CA 0.842 59.125 58.200 0.139 0.000 0.991 60 S CB 0.013 63.297 63.200 0.139 0.000 0.823 60 S HN 0.981 nan 8.310 nan 0.000 0.469 61 F N 2.865 122.810 119.950 -0.008 0.000 2.459 61 F HA 0.544 5.071 4.527 -0.000 0.000 0.346 61 F C -0.307 175.413 175.800 -0.133 0.000 1.128 61 F CA -1.685 56.283 58.000 -0.053 0.000 1.268 61 F CB 0.882 39.852 39.000 -0.051 0.000 1.161 61 F HN -0.068 nan 8.300 nan 0.000 0.583 62 V N 5.448 124.842 119.914 -0.867 0.000 2.588 62 V HA 0.289 4.409 4.120 -0.000 0.000 0.304 62 V C -0.420 174.697 176.094 -1.628 0.000 1.042 62 V CA -0.994 60.644 62.300 -1.103 0.000 0.877 62 V CB 1.743 32.911 31.823 -1.092 0.000 0.996 62 V HN 0.614 nan 8.190 nan 0.000 0.425 63 E N 4.043 123.562 120.200 -1.134 0.000 2.174 63 E HA 0.553 4.903 4.350 -0.000 0.000 0.282 63 E C -1.392 174.963 176.600 -0.410 0.000 0.992 63 E CA -0.366 55.578 56.400 -0.761 0.000 0.803 63 E CB 1.775 31.183 29.700 -0.487 0.000 1.090 63 E HN 0.490 nan 8.360 nan 0.000 0.396 64 L N 3.247 124.307 121.223 -0.271 0.000 2.346 64 L HA 0.260 4.600 4.340 -0.000 0.000 0.276 64 L C -0.006 176.822 176.870 -0.071 0.000 1.006 64 L CA -0.434 54.306 54.840 -0.167 0.000 0.817 64 L CB 1.399 43.346 42.059 -0.187 0.000 1.272 64 L HN 0.517 nan 8.230 nan 0.000 0.421 65 D N 0.450 120.842 120.400 -0.014 0.000 3.099 65 D HA -0.200 4.440 4.640 -0.000 0.000 0.213 65 D C 1.228 177.551 176.300 0.039 0.000 1.121 65 D CA 1.402 55.423 54.000 0.035 0.000 0.951 65 D CB -0.491 40.316 40.800 0.012 0.000 1.102 65 D HN 0.786 nan 8.370 nan 0.000 0.423 66 E N -0.934 119.249 120.200 -0.029 0.000 2.153 66 E HA -0.163 4.187 4.350 -0.000 0.000 0.194 66 E C 1.410 177.858 176.600 -0.253 0.000 0.988 66 E CA 0.887 57.160 56.400 -0.212 0.000 0.811 66 E CB -0.093 29.351 29.700 -0.428 0.000 0.746 66 E HN 0.420 nan 8.360 nan 0.000 0.466 67 F N 0.617 120.598 119.950 0.051 0.000 2.732 67 F HA 0.304 4.830 4.527 -0.000 0.000 0.303 67 F C 0.848 176.795 175.800 0.245 0.000 1.110 67 F CA -0.145 57.941 58.000 0.145 0.000 1.355 67 F CB 0.110 39.124 39.000 0.023 0.000 1.081 67 F HN -0.057 nan 8.300 nan 0.000 0.565 68 A N 1.418 124.400 122.820 0.270 0.000 2.498 68 A HA 0.457 4.777 4.320 -0.000 0.000 0.239 68 A C 0.407 178.108 177.584 0.195 0.000 1.068 68 A CA -0.061 52.096 52.037 0.199 0.000 0.766 68 A CB 0.206 19.283 19.000 0.127 0.000 1.003 68 A HN 0.420 nan 8.150 nan 0.000 0.497 69 R N 1.462 122.047 120.500 0.141 0.000 2.575 69 R HA 0.291 4.631 4.340 -0.000 0.000 0.293 69 R C -0.454 175.891 176.300 0.076 0.000 0.983 69 R CA -0.796 55.362 56.100 0.097 0.000 0.887 69 R CB 1.533 31.843 30.300 0.016 0.000 1.184 69 R HN 1.002 nan 8.270 nan 0.000 0.445 70 H N 2.244 121.344 119.070 0.049 0.000 2.897 70 H HA 0.075 4.631 4.556 -0.000 0.000 0.347 70 H C 0.039 175.367 175.328 0.000 0.000 1.068 70 H CA 0.169 56.232 56.048 0.024 0.000 1.426 70 H CB 1.155 30.918 29.762 0.002 0.000 1.410 70 H HN 0.491 nan 8.280 nan 0.000 0.597 71 R N 1.931 122.326 120.500 -0.175 0.000 2.300 71 R HA 0.026 4.366 4.340 -0.000 0.000 0.199 71 R C 0.601 176.777 176.300 -0.207 0.000 0.920 71 R CA 0.273 56.255 56.100 -0.195 0.000 1.046 71 R CB 0.146 30.403 30.300 -0.072 0.000 0.984 71 R HN 0.632 nan 8.270 nan 0.000 0.493 72 S N -1.506 114.101 115.700 -0.154 0.000 2.565 72 S HA 0.061 4.531 4.470 -0.000 0.000 0.276 72 S C 0.840 175.439 174.600 -0.003 0.000 1.326 72 S CA -0.048 58.166 58.200 0.023 0.000 1.045 72 S CB 1.400 64.718 63.200 0.197 0.000 0.918 72 S HN 0.207 nan 8.310 nan 0.000 0.505 73 T N 3.154 117.707 114.554 -0.001 0.000 3.043 73 T HA 0.315 4.664 4.350 -0.000 0.000 0.272 73 T C -0.349 174.353 174.700 0.002 0.000 0.990 73 T CA -0.251 61.846 62.100 -0.005 0.000 0.897 73 T CB -0.397 68.450 68.868 -0.036 0.000 1.111 73 T HN 0.645 nan 8.240 nan 0.000 0.529 74 N N 0.978 119.678 118.700 0.000 0.000 2.437 74 N HA 0.524 5.264 4.740 -0.000 0.000 0.259 74 N C -0.830 174.670 175.510 -0.016 0.000 0.983 74 N CA -0.484 52.504 53.050 -0.104 0.000 0.937 74 N CB 0.642 39.031 38.487 -0.162 0.000 1.122 74 N HN 0.042 nan 8.380 nan 0.000 0.499 75 F N 0.882 120.827 119.950 -0.008 0.000 2.439 75 F HA -0.176 4.351 4.527 -0.000 0.000 0.353 75 F C 1.355 177.154 175.800 -0.001 0.000 0.600 75 F CA 0.835 58.829 58.000 -0.010 0.000 1.636 75 F CB -1.595 37.391 39.000 -0.024 0.000 2.155 75 F HN 0.695 nan 8.300 nan 0.000 0.283 76 G N 0.117 109.007 108.800 0.150 0.000 2.143 76 G HA2 -0.342 3.618 3.960 -0.000 0.000 0.249 76 G HA3 -0.342 3.618 3.960 -0.000 0.000 0.249 76 G C 0.969 175.943 174.900 0.123 0.000 0.981 76 G CA 0.242 45.410 45.100 0.114 0.000 0.665 76 G HN 0.549 nan 8.290 nan 0.000 0.528 77 L N 1.049 122.352 121.223 0.133 0.000 2.187 77 L HA -0.094 4.246 4.340 -0.000 0.000 0.213 77 L C 2.712 179.721 176.870 0.232 0.000 1.100 77 L CA 2.846 57.746 54.840 0.101 0.000 0.765 77 L CB -0.403 41.684 42.059 0.047 0.000 0.904 77 L HN 0.572 nan 8.230 nan 0.000 0.437 78 D N -0.344 120.179 120.400 0.205 0.000 2.309 78 D HA -0.171 4.469 4.640 -0.000 0.000 0.212 78 D C 1.883 178.268 176.300 0.142 0.000 0.968 78 D CA 1.032 55.124 54.000 0.153 0.000 0.882 78 D CB -0.156 40.671 40.800 0.044 0.000 0.918 78 D HN 0.279 nan 8.370 nan 0.000 0.503 79 A N 0.171 123.074 122.820 0.139 0.000 1.940 79 A HA -0.148 4.171 4.320 -0.000 0.000 0.219 79 A C 0.939 178.597 177.584 0.122 0.000 1.176 79 A CA 0.956 53.056 52.037 0.106 0.000 0.631 79 A CB -0.518 18.537 19.000 0.092 0.000 0.814 79 A HN 0.391 nan 8.150 nan 0.000 0.446 80 N N -0.562 118.261 118.700 0.204 0.000 2.346 80 N HA 0.446 5.186 4.740 -0.000 0.000 0.289 80 N C -0.950 174.760 175.510 0.334 0.000 1.027 80 N CA -0.537 52.624 53.050 0.186 0.000 0.864 80 N CB 1.301 39.850 38.487 0.104 0.000 1.370 80 N HN 0.416 nan 8.380 nan 0.000 0.481 81 R N 1.227 121.843 120.500 0.193 0.000 2.629 81 R HA 0.356 4.696 4.340 -0.000 0.000 0.277 81 R C -2.980 173.310 176.300 -0.017 0.000 1.637 81 R CA -1.484 54.756 56.100 0.234 0.000 1.663 81 R CB 0.379 30.722 30.300 0.071 0.000 1.228 81 R HN 0.276 nan 8.270 nan 0.000 0.632 82 P HA -0.009 nan 4.420 nan 0.000 0.271 82 P C -0.717 176.567 177.300 -0.027 0.000 1.216 82 P CA -0.012 63.047 63.100 -0.069 0.000 0.771 82 P CB 0.534 32.198 31.700 -0.060 0.000 0.864 83 Y N 0.834 121.181 120.300 0.078 0.000 2.511 83 Y HA 0.273 4.823 4.550 -0.000 0.000 0.332 83 Y C 2.111 178.020 175.900 0.014 0.000 1.177 83 Y CA 1.460 59.594 58.100 0.056 0.000 1.422 83 Y CB 0.117 38.588 38.460 0.019 0.000 1.271 83 Y HN 0.793 nan 8.280 nan 0.000 0.550 84 G N 1.951 110.861 108.800 0.183 0.000 2.205 84 G HA2 -0.411 3.549 3.960 -0.000 0.000 0.261 84 G HA3 -0.411 3.549 3.960 -0.000 0.000 0.261 84 G C 0.407 175.405 174.900 0.164 0.000 0.980 84 G CA 0.390 45.558 45.100 0.112 0.000 0.632 84 G HN 0.873 nan 8.290 nan 0.000 0.533 85 D N -1.458 119.059 120.400 0.195 0.000 2.737 85 D HA 0.107 4.747 4.640 -0.000 0.000 0.233 85 D C 1.871 178.401 176.300 0.382 0.000 1.155 85 D CA 3.106 57.267 54.000 0.268 0.000 0.667 85 D CB -1.208 39.743 40.800 0.251 0.000 1.060 85 D HN 2.129 nan 8.370 nan 0.000 0.427 86 G N -2.339 106.635 108.800 0.290 0.000 2.179 86 G HA2 -0.155 3.805 3.960 -0.000 0.000 0.260 86 G HA3 -0.155 3.805 3.960 -0.000 0.000 0.260 86 G C 0.356 175.587 174.900 0.551 0.000 0.977 86 G CA 0.649 45.925 45.100 0.293 0.000 0.641 86 G HN 1.396 nan 8.290 nan 0.000 0.533 87 V N -0.639 119.560 119.914 0.476 0.000 3.007 87 V HA 0.832 4.952 4.120 -0.000 0.000 0.311 87 V C -0.554 175.605 176.094 0.108 0.000 1.120 87 V CA -0.536 61.926 62.300 0.270 0.000 0.980 87 V CB 2.490 34.146 31.823 -0.277 0.000 1.033 87 V HN 0.649 nan 8.190 nan 0.000 0.429 88 V N 4.664 124.631 119.914 0.088 0.000 2.417 88 V HA 0.772 4.892 4.120 -0.000 0.000 0.291 88 V C 0.213 176.376 176.094 0.115 0.000 1.024 88 V CA 0.228 62.580 62.300 0.086 0.000 0.861 88 V CB 1.543 33.420 31.823 0.089 0.000 0.985 88 V HN 1.167 nan 8.190 nan 0.000 0.436 89 T N 1.112 115.747 114.554 0.135 0.000 2.906 89 T HA 0.971 5.321 4.350 -0.000 0.000 0.295 89 T C -0.159 174.664 174.700 0.206 0.000 1.061 89 T CA -0.010 62.188 62.100 0.162 0.000 1.000 89 T CB 2.154 71.069 68.868 0.079 0.000 1.103 89 T HN 1.667 nan 8.240 nan 0.000 0.486 90 G N 0.596 109.543 108.800 0.246 0.000 2.362 90 G HA2 0.419 4.379 3.960 -0.000 0.000 0.288 90 G HA3 0.419 4.379 3.960 -0.000 0.000 0.288 90 G C -1.925 173.209 174.900 0.390 0.000 1.305 90 G CA -0.302 44.884 45.100 0.144 0.000 0.910 90 G HN 1.642 nan 8.290 nan 0.000 0.518 91 Y N -0.974 119.490 120.300 0.273 0.000 2.536 91 Y HA 0.921 5.471 4.550 -0.000 0.000 0.347 91 Y C 0.243 176.359 175.900 0.360 0.000 1.000 91 Y CA -1.131 57.145 58.100 0.293 0.000 1.051 91 Y CB 1.791 40.392 38.460 0.235 0.000 1.259 91 Y HN 1.666 nan 8.280 nan 0.000 0.468 92 G N 0.049 109.184 108.800 0.559 0.000 2.660 92 G HA2 0.526 4.486 3.960 -0.000 0.000 0.290 92 G HA3 0.526 4.486 3.960 -0.000 0.000 0.290 92 G C -1.610 173.439 174.900 0.248 0.000 1.432 92 G CA -0.620 44.703 45.100 0.371 0.000 0.807 92 G HN 1.084 nan 8.290 nan 0.000 0.485 93 T N -1.892 112.763 114.554 0.169 0.000 2.856 93 T HA 0.655 5.005 4.350 -0.000 0.000 0.283 93 T C -0.596 174.142 174.700 0.064 0.000 1.008 93 T CA -0.648 61.515 62.100 0.104 0.000 0.997 93 T CB 1.587 70.510 68.868 0.091 0.000 0.992 93 T HN 0.872 nan 8.240 nan 0.000 0.454 94 V N 3.300 123.236 119.914 0.037 0.000 2.347 94 V HA 0.420 4.540 4.120 -0.000 0.000 0.280 94 V C -0.090 176.008 176.094 0.007 0.000 1.021 94 V CA -0.626 61.681 62.300 0.013 0.000 0.847 94 V CB 0.232 32.051 31.823 -0.006 0.000 0.990 94 V HN 1.121 nan 8.190 nan 0.000 0.444 95 D N 3.107 123.512 120.400 0.008 0.000 3.006 95 D HA -0.129 4.511 4.640 -0.000 0.000 0.205 95 D C 1.201 177.512 176.300 0.019 0.000 1.075 95 D CA 1.727 55.730 54.000 0.005 0.000 1.000 95 D CB -1.505 39.291 40.800 -0.007 0.000 1.097 95 D HN 1.564 nan 8.370 nan 0.000 0.426 96 G N -0.748 108.067 108.800 0.025 0.000 2.157 96 G HA2 -0.309 3.651 3.960 -0.000 0.000 0.239 96 G HA3 -0.309 3.651 3.960 -0.000 0.000 0.239 96 G C -0.085 174.828 174.900 0.022 0.000 0.982 96 G CA 0.035 45.153 45.100 0.030 0.000 0.650 96 G HN 0.426 nan 8.290 nan 0.000 0.527 97 R N 0.733 121.241 120.500 0.014 0.000 2.387 97 R HA 0.453 4.793 4.340 -0.000 0.000 0.314 97 R C -2.733 173.578 176.300 0.018 0.000 0.958 97 R CA -1.986 54.114 56.100 -0.000 0.000 0.846 97 R CB 2.043 32.327 30.300 -0.028 0.000 1.147 97 R HN 0.179 nan 8.270 nan 0.000 0.447 98 P HA 0.105 nan 4.420 nan 0.000 0.268 98 P C -0.466 176.867 177.300 0.055 0.000 1.204 98 P CA -0.093 63.033 63.100 0.044 0.000 0.768 98 P CB 0.938 32.634 31.700 -0.007 0.000 0.842 99 V N 1.548 121.537 119.914 0.125 0.000 3.114 99 V HA 0.726 4.846 4.120 -0.000 0.000 0.308 99 V C -0.226 176.031 176.094 0.272 0.000 1.168 99 V CA -1.087 61.302 62.300 0.148 0.000 1.015 99 V CB 2.111 33.998 31.823 0.107 0.000 1.050 99 V HN 0.716 nan 8.190 nan 0.000 0.433 100 A N 1.722 124.706 122.820 0.274 0.000 2.330 100 A HA 0.901 5.221 4.320 -0.000 0.000 0.327 100 A C -1.112 176.640 177.584 0.281 0.000 1.155 100 A CA -0.703 51.547 52.037 0.355 0.000 0.803 100 A CB 1.731 20.989 19.000 0.429 0.000 1.208 100 A HN 0.999 nan 8.150 nan 0.000 0.477 101 V N 3.828 123.910 119.914 0.280 0.000 2.638 101 V HA 0.782 4.902 4.120 -0.000 0.000 0.306 101 V C -1.772 174.511 176.094 0.314 0.000 1.052 101 V CA -0.642 61.803 62.300 0.242 0.000 0.885 101 V CB 1.599 33.462 31.823 0.066 0.000 0.999 101 V HN 1.012 nan 8.190 nan 0.000 0.424 102 F N 3.787 123.761 119.950 0.040 0.000 2.529 102 F HA 0.863 5.390 4.527 -0.000 0.000 0.320 102 F C -0.394 175.421 175.800 0.026 0.000 1.118 102 F CA -1.537 56.474 58.000 0.018 0.000 0.915 102 F CB 1.707 40.708 39.000 0.002 0.000 1.161 102 F HN 0.359 nan 8.300 nan 0.000 0.445 103 S N 3.224 118.855 115.700 -0.115 0.000 2.552 103 S HA 0.386 4.856 4.470 -0.000 0.000 0.314 103 S C -0.787 173.816 174.600 0.006 0.000 1.099 103 S CA -0.534 57.560 58.200 -0.176 0.000 1.070 103 S CB 0.729 63.859 63.200 -0.116 0.000 0.998 103 S HN 0.797 nan 8.310 nan 0.000 0.474 104 Q N 2.493 122.330 119.800 0.063 0.000 2.392 104 Q HA 0.166 4.506 4.340 -0.000 0.000 0.262 104 Q C -0.700 175.430 176.000 0.217 0.000 1.003 104 Q CA 0.001 55.997 55.803 0.321 0.000 0.888 104 Q CB 0.553 29.503 28.738 0.353 0.000 1.260 104 Q HN 0.576 nan 8.270 nan 0.000 0.435 105 D N 0.818 121.367 120.400 0.249 0.000 2.198 105 D HA 0.067 4.707 4.640 -0.000 0.000 0.245 105 D C -0.264 176.114 176.300 0.130 0.000 1.079 105 D CA -0.368 53.725 54.000 0.154 0.000 0.854 105 D CB 0.797 41.670 40.800 0.120 0.000 1.148 105 D HN 0.427 nan 8.370 nan 0.000 0.456 106 F N 2.140 122.091 119.950 0.001 0.000 2.171 106 F HA -0.173 4.354 4.527 -0.000 0.000 0.300 106 F C 2.184 177.956 175.800 -0.047 0.000 1.090 106 F CA 1.343 59.329 58.000 -0.024 0.000 1.293 106 F CB 0.023 39.005 39.000 -0.030 0.000 1.013 106 F HN 0.362 nan 8.300 nan 0.000 0.486 107 T N -0.702 113.903 114.554 0.085 0.000 2.803 107 T HA -0.100 4.250 4.350 -0.000 0.000 0.269 107 T C 0.781 175.398 174.700 -0.140 0.000 1.052 107 T CA 0.889 62.998 62.100 0.015 0.000 1.136 107 T CB -0.335 68.529 68.868 -0.006 0.000 0.864 107 T HN -0.118 nan 8.240 nan 0.000 0.467 108 V N 2.697 122.512 119.914 -0.165 0.000 2.311 108 V HA 0.302 4.422 4.120 -0.000 0.000 0.275 108 V C -0.414 175.552 176.094 -0.212 0.000 1.022 108 V CA -0.693 61.451 62.300 -0.261 0.000 0.830 108 V CB -0.118 31.621 31.823 -0.141 0.000 1.012 108 V HN 0.504 nan 8.190 nan 0.000 0.452 109 F N 3.992 123.814 119.950 -0.213 0.000 3.100 109 F HA -0.241 4.286 4.527 -0.000 0.000 0.283 109 F C 1.659 177.265 175.800 -0.324 0.000 0.900 109 F CA 1.364 59.219 58.000 -0.242 0.000 1.010 109 F CB -1.703 37.154 39.000 -0.238 0.000 1.029 109 F HN 0.837 nan 8.300 nan 0.000 0.637 110 G N -1.295 107.308 108.800 -0.329 0.000 2.189 110 G HA2 0.101 4.061 3.960 -0.000 0.000 0.267 110 G HA3 0.101 4.061 3.960 -0.000 0.000 0.267 110 G C 1.692 176.243 174.900 -0.582 0.000 0.975 110 G CA 1.110 45.814 45.100 -0.660 0.000 0.644 110 G HN 2.171 nan 8.290 nan 0.000 0.537 111 G N -1.119 107.479 108.800 -0.336 0.000 2.160 111 G HA2 0.179 4.139 3.960 -0.000 0.000 0.251 111 G HA3 0.179 4.139 3.960 -0.000 0.000 0.251 111 G C 0.625 175.346 174.900 -0.298 0.000 1.008 111 G CA 1.145 46.080 45.100 -0.277 0.000 0.724 111 G HN 2.316 nan 8.290 nan 0.000 0.514 112 A N 1.011 123.688 122.820 -0.239 0.000 2.376 112 A HA 0.608 4.928 4.320 -0.000 0.000 0.298 112 A C 0.898 178.329 177.584 -0.254 0.000 1.271 112 A CA -0.130 51.807 52.037 -0.165 0.000 0.926 112 A CB 0.302 19.233 19.000 -0.116 0.000 1.141 112 A HN 1.655 nan 8.150 nan 0.000 0.539 113 L N 3.280 124.366 121.223 -0.229 0.000 2.485 113 L HA 0.620 4.960 4.340 -0.000 0.000 0.275 113 L C 0.270 177.043 176.870 -0.162 0.000 1.207 113 L CA 0.962 55.624 54.840 -0.297 0.000 0.855 113 L CB 0.150 42.236 42.059 0.044 0.000 1.114 113 L HN 0.635 nan 8.230 nan 0.000 0.485 114 G N 3.110 111.876 108.800 -0.057 0.000 2.730 114 G HA2 0.319 4.279 3.960 -0.000 0.000 0.289 114 G HA3 0.319 4.279 3.960 -0.000 0.000 0.289 114 G C 0.229 175.126 174.900 -0.006 0.000 1.341 114 G CA 0.219 45.291 45.100 -0.046 0.000 0.932 114 G HN 0.861 nan 8.290 nan 0.000 0.481 115 E N -0.675 119.511 120.200 -0.024 0.000 2.058 115 E HA -0.164 4.186 4.350 -0.000 0.000 0.194 115 E C 2.111 178.715 176.600 0.006 0.000 0.997 115 E CA 1.766 58.149 56.400 -0.029 0.000 0.801 115 E CB -0.068 29.620 29.700 -0.020 0.000 0.746 115 E HN 0.195 nan 8.360 nan 0.000 0.450 116 V N 0.498 120.442 119.914 0.049 0.000 2.427 116 V HA -0.220 3.900 4.120 -0.000 0.000 0.248 116 V C 2.211 178.359 176.094 0.091 0.000 1.051 116 V CA 1.872 64.212 62.300 0.068 0.000 1.048 116 V CB -0.868 31.013 31.823 0.096 0.000 0.666 116 V HN 0.381 nan 8.190 nan 0.000 0.456 117 Y N 2.131 122.437 120.300 0.011 0.000 2.181 117 Y HA -0.119 4.430 4.550 -0.000 0.000 0.288 117 Y C 2.383 178.279 175.900 -0.006 0.000 1.146 117 Y CA 1.770 59.883 58.100 0.023 0.000 1.164 117 Y CB -0.731 37.743 38.460 0.024 0.000 0.982 117 Y HN 0.208 nan 8.280 nan 0.000 0.515 118 G N -0.325 108.518 108.800 0.072 0.000 2.442 118 G HA2 -0.269 3.691 3.960 -0.000 0.000 0.219 118 G HA3 -0.269 3.691 3.960 -0.000 0.000 0.219 118 G C 1.408 176.249 174.900 -0.098 0.000 1.141 118 G CA 0.954 46.014 45.100 -0.068 0.000 0.763 118 G HN 0.518 nan 8.290 nan 0.000 0.554 119 Q N 0.041 119.804 119.800 -0.061 0.000 2.124 119 Q HA -0.065 4.275 4.340 -0.000 0.000 0.202 119 Q C 2.547 178.508 176.000 -0.064 0.000 0.977 119 Q CA 1.111 56.884 55.803 -0.051 0.000 0.850 119 Q CB -0.154 28.573 28.738 -0.020 0.000 0.901 119 Q HN 0.437 nan 8.270 nan 0.000 0.429 120 K N 0.583 120.929 120.400 -0.090 0.000 2.057 120 K HA -0.124 4.196 4.320 -0.000 0.000 0.207 120 K C 2.051 178.585 176.600 -0.111 0.000 1.049 120 K CA 1.150 57.379 56.287 -0.097 0.000 0.931 120 K CB -0.115 32.302 32.500 -0.138 0.000 0.714 120 K HN 0.190 nan 8.250 nan 0.000 0.440 121 I N 0.677 121.137 120.570 -0.183 0.000 2.286 121 I HA -0.250 3.920 4.170 -0.000 0.000 0.248 121 I C 2.136 178.147 176.117 -0.177 0.000 1.115 121 I CA 0.891 62.050 61.300 -0.235 0.000 1.392 121 I CB -0.262 37.523 38.000 -0.359 0.000 1.065 121 I HN -0.084 nan 8.210 nan 0.000 0.418 122 V N 0.840 120.679 119.914 -0.124 0.000 2.407 122 V HA -0.287 3.833 4.120 -0.000 0.000 0.248 122 V C 2.517 178.597 176.094 -0.023 0.000 1.055 122 V CA 1.752 64.008 62.300 -0.074 0.000 1.049 122 V CB -0.753 31.033 31.823 -0.062 0.000 0.662 122 V HN 0.402 nan 8.190 nan 0.000 0.455 123 K N 0.226 120.620 120.400 -0.010 0.000 2.057 123 K HA -0.161 4.159 4.320 -0.000 0.000 0.207 123 K C 2.036 178.693 176.600 0.095 0.000 1.049 123 K CA 1.767 58.075 56.287 0.036 0.000 0.931 123 K CB -0.142 32.367 32.500 0.016 0.000 0.714 123 K HN 0.451 nan 8.250 nan 0.000 0.440 124 V N 1.121 121.073 119.914 0.063 0.000 2.343 124 V HA -0.278 3.842 4.120 -0.000 0.000 0.247 124 V C 2.351 178.539 176.094 0.157 0.000 1.051 124 V CA 1.777 64.155 62.300 0.130 0.000 1.036 124 V CB -0.579 31.294 31.823 0.083 0.000 0.654 124 V HN 0.327 nan 8.190 nan 0.000 0.451 125 M N 0.438 120.068 119.600 0.051 0.000 2.099 125 M HA -0.151 4.329 4.480 -0.000 0.000 0.262 125 M C 2.016 178.356 176.300 0.067 0.000 1.067 125 M CA 1.977 57.304 55.300 0.046 0.000 1.124 125 M CB -0.753 31.840 32.600 -0.012 0.000 1.353 125 M HN 0.301 nan 8.290 nan 0.000 0.410 126 D N 0.380 120.819 120.400 0.066 0.000 2.117 126 D HA -0.145 4.495 4.640 -0.000 0.000 0.197 126 D C 1.651 178.005 176.300 0.090 0.000 0.987 126 D CA 1.149 55.183 54.000 0.057 0.000 0.829 126 D CB -0.461 40.366 40.800 0.045 0.000 0.961 126 D HN 0.279 nan 8.370 nan 0.000 0.460 127 F N 1.479 121.436 119.950 0.011 0.000 2.134 127 F HA -0.119 4.408 4.527 -0.000 0.000 0.299 127 F C 2.158 177.961 175.800 0.006 0.000 1.097 127 F CA 1.429 59.439 58.000 0.017 0.000 1.264 127 F CB -0.214 38.821 39.000 0.057 0.000 1.001 127 F HN -0.052 nan 8.300 nan 0.000 0.479 128 A N 0.640 123.484 122.820 0.040 0.000 1.877 128 A HA -0.163 4.157 4.320 -0.000 0.000 0.216 128 A C 2.352 179.854 177.584 -0.137 0.000 1.186 128 A CA 1.790 53.790 52.037 -0.061 0.000 0.620 128 A CB -1.259 17.790 19.000 0.082 0.000 0.822 128 A HN 0.521 nan 8.150 nan 0.000 0.443 129 L N 0.032 121.217 121.223 -0.063 0.000 2.093 129 L HA -0.221 4.119 4.340 -0.000 0.000 0.208 129 L C 2.759 179.574 176.870 -0.092 0.000 1.085 129 L CA 1.984 56.795 54.840 -0.049 0.000 0.755 129 L CB -0.337 41.717 42.059 -0.008 0.000 0.904 129 L HN 0.640 nan 8.230 nan 0.000 0.435 130 K N -0.942 119.381 120.400 -0.129 0.000 2.063 130 K HA -0.180 4.140 4.320 -0.000 0.000 0.208 130 K C 1.431 177.921 176.600 -0.183 0.000 1.048 130 K CA 1.948 58.155 56.287 -0.134 0.000 0.928 130 K CB -0.669 31.751 32.500 -0.133 0.000 0.713 130 K HN 0.339 nan 8.250 nan 0.000 0.442 131 T N -3.119 111.255 114.554 -0.301 0.000 3.174 131 T HA 0.313 4.663 4.350 -0.000 0.000 0.269 131 T C 0.894 175.449 174.700 -0.243 0.000 1.017 131 T CA 0.014 61.912 62.100 -0.337 0.000 0.899 131 T CB 0.344 68.839 68.868 -0.623 0.000 1.077 131 T HN 0.492 nan 8.240 nan 0.000 0.552 132 G N 1.491 110.194 108.800 -0.162 0.000 2.314 132 G HA2 -0.204 3.756 3.960 -0.000 0.000 0.292 132 G HA3 -0.204 3.756 3.960 -0.000 0.000 0.292 132 G C 0.271 175.135 174.900 -0.061 0.000 1.059 132 G CA 0.132 45.181 45.100 -0.086 0.000 0.982 132 G HN 1.673 nan 8.290 nan 0.000 0.505 133 C N -2.898 116.367 119.300 -0.058 0.000 3.173 133 C HA 0.896 5.356 4.460 -0.000 0.000 0.310 133 C C -2.731 172.270 174.990 0.017 0.000 1.306 133 C CA -2.344 56.657 59.018 -0.028 0.000 1.426 133 C CB 1.813 29.525 27.740 -0.047 0.000 1.800 133 C HN 0.188 nan 8.230 nan 0.000 0.470 134 P HA 0.303 nan 4.420 nan 0.000 0.271 134 P C -0.645 176.711 177.300 0.094 0.000 1.216 134 P CA -0.012 63.115 63.100 0.044 0.000 0.776 134 P CB 0.698 32.389 31.700 -0.016 0.000 0.881 135 V N 4.934 124.924 119.914 0.127 0.000 2.350 135 V HA 0.149 4.269 4.120 -0.000 0.000 0.276 135 V C 0.269 176.490 176.094 0.212 0.000 1.028 135 V CA -0.461 61.946 62.300 0.177 0.000 0.860 135 V CB 1.492 33.411 31.823 0.160 0.000 0.990 135 V HN 0.235 nan 8.190 nan 0.000 0.453 136 V N 4.626 124.670 119.914 0.218 0.000 2.407 136 V HA 0.645 4.765 4.120 -0.000 0.000 0.278 136 V C 0.800 177.068 176.094 0.288 0.000 1.037 136 V CA -0.158 62.263 62.300 0.202 0.000 0.900 136 V CB 1.583 33.466 31.823 0.101 0.000 0.983 136 V HN 0.927 nan 8.190 nan 0.000 0.459 137 G N 5.089 114.061 108.800 0.286 0.000 2.422 137 G HA2 0.674 4.634 3.960 -0.000 0.000 0.317 137 G HA3 0.674 4.634 3.960 -0.000 0.000 0.317 137 G C -0.757 173.868 174.900 -0.457 0.000 1.210 137 G CA -0.553 44.453 45.100 -0.157 0.000 0.930 137 G HN 0.655 nan 8.290 nan 0.000 0.468 138 I N 2.198 122.336 120.570 -0.720 0.000 2.297 138 I HA 0.154 4.324 4.170 -0.000 0.000 0.291 138 I C -0.621 175.274 176.117 -0.370 0.000 1.033 138 I CA -0.739 60.344 61.300 -0.361 0.000 1.253 138 I CB 1.050 38.909 38.000 -0.235 0.000 1.396 138 I HN 0.323 nan 8.210 nan 0.000 0.476 139 N N 4.969 123.580 118.700 -0.149 0.000 2.437 139 N HA 0.353 5.093 4.740 -0.000 0.000 0.259 139 N C -0.837 174.713 175.510 0.067 0.000 0.983 139 N CA -0.545 52.505 53.050 0.001 0.000 0.937 139 N CB 1.111 39.666 38.487 0.113 0.000 1.122 139 N HN 0.461 nan 8.380 nan 0.000 0.499 140 D N 0.699 121.170 120.400 0.118 0.000 2.621 140 D HA 0.177 4.817 4.640 -0.000 0.000 0.274 140 D C -1.448 174.989 176.300 0.229 0.000 1.215 140 D CA -0.334 53.765 54.000 0.165 0.000 0.810 140 D CB 0.310 41.196 40.800 0.143 0.000 1.248 140 D HN 0.303 nan 8.370 nan 0.000 0.517 141 S N 0.363 116.183 115.700 0.201 0.000 2.538 141 S HA 0.609 5.079 4.470 -0.000 0.000 0.288 141 S C 1.410 176.081 174.600 0.118 0.000 1.108 141 S CA -0.188 58.091 58.200 0.131 0.000 0.971 141 S CB 1.460 64.734 63.200 0.125 0.000 1.041 141 S HN 0.275 nan 8.310 nan 0.000 0.483 142 G N 2.673 111.488 108.800 0.026 0.000 2.418 142 G HA2 0.409 4.369 3.960 -0.000 0.000 0.217 142 G HA3 0.409 4.369 3.960 -0.000 0.000 0.217 142 G C 0.826 175.759 174.900 0.055 0.000 1.158 142 G CA 0.765 45.883 45.100 0.030 0.000 0.771 142 G HN 1.488 nan 8.290 nan 0.000 0.545 143 G N -1.628 107.202 108.800 0.051 0.000 2.399 143 G HA2 0.563 4.523 3.960 -0.000 0.000 0.256 143 G HA3 0.563 4.523 3.960 -0.000 0.000 0.256 143 G C -1.377 173.602 174.900 0.133 0.000 1.236 143 G CA 0.011 45.160 45.100 0.083 0.000 0.914 143 G HN 0.932 nan 8.290 nan 0.000 0.482 144 A N 0.141 123.057 122.820 0.160 0.000 2.274 144 A HA 0.713 5.033 4.320 -0.000 0.000 0.309 144 A C 0.530 178.155 177.584 0.068 0.000 1.226 144 A CA -0.244 51.926 52.037 0.222 0.000 0.853 144 A CB 0.496 19.707 19.000 0.351 0.000 1.146 144 A HN 0.926 nan 8.150 nan 0.000 0.518 145 R N 3.419 123.917 120.500 -0.004 0.000 2.248 145 R HA 0.235 4.575 4.340 -0.000 0.000 0.337 145 R C -0.412 175.855 176.300 -0.054 0.000 1.085 145 R CA -0.446 55.606 56.100 -0.079 0.000 0.934 145 R CB -0.075 30.120 30.300 -0.175 0.000 1.034 145 R HN 0.618 nan 8.270 nan 0.000 0.465 146 I N 3.961 124.505 120.570 -0.043 0.000 2.361 146 I HA -0.247 3.923 4.170 -0.000 0.000 0.251 146 I C 2.060 178.208 176.117 0.052 0.000 1.133 146 I CA 1.244 62.545 61.300 0.002 0.000 1.413 146 I CB -0.230 37.751 38.000 -0.032 0.000 1.073 146 I HN 0.669 nan 8.210 nan 0.000 0.424 147 Q N 0.327 120.138 119.800 0.018 0.000 2.181 147 Q HA -0.200 4.140 4.340 -0.000 0.000 0.205 147 Q C 2.126 178.214 176.000 0.147 0.000 0.980 147 Q CA 1.270 57.185 55.803 0.187 0.000 0.862 147 Q CB -0.207 28.567 28.738 0.059 0.000 0.905 147 Q HN 0.482 nan 8.270 nan 0.000 0.429 148 E N -0.314 119.908 120.200 0.037 0.000 2.110 148 E HA -0.087 4.263 4.350 -0.000 0.000 0.193 148 E C 1.113 177.737 176.600 0.040 0.000 0.988 148 E CA 0.927 57.338 56.400 0.020 0.000 0.804 148 E CB -0.274 29.417 29.700 -0.015 0.000 0.745 148 E HN 0.385 nan 8.360 nan 0.000 0.458 149 G N 0.230 109.069 108.800 0.065 0.000 2.645 149 G HA2 -0.337 3.623 3.960 -0.000 0.000 0.239 149 G HA3 -0.337 3.623 3.960 -0.000 0.000 0.239 149 G C 0.969 175.895 174.900 0.045 0.000 1.331 149 G CA 0.803 45.938 45.100 0.058 0.000 0.890 149 G HN 0.412 nan 8.290 nan 0.000 0.572 150 V N -2.063 117.876 119.914 0.042 0.000 2.688 150 V HA 0.154 4.274 4.120 -0.000 0.000 0.256 150 V C 3.125 179.237 176.094 0.030 0.000 1.084 150 V CA 2.801 65.129 62.300 0.048 0.000 1.103 150 V CB -1.568 30.282 31.823 0.044 0.000 0.688 150 V HN 2.415 nan 8.190 nan 0.000 0.480 151 A N 0.483 123.310 122.820 0.012 0.000 1.948 151 A HA -0.248 4.072 4.320 -0.000 0.000 0.220 151 A C 2.582 180.149 177.584 -0.029 0.000 1.177 151 A CA 2.478 54.511 52.037 -0.007 0.000 0.636 151 A CB -1.053 17.942 19.000 -0.008 0.000 0.815 151 A HN 0.667 nan 8.150 nan 0.000 0.449 152 S N -0.626 115.062 115.700 -0.021 0.000 2.368 152 S HA -0.092 4.378 4.470 -0.000 0.000 0.225 152 S C 1.923 176.500 174.600 -0.040 0.000 1.030 152 S CA 1.414 59.580 58.200 -0.057 0.000 0.999 152 S CB -0.474 62.722 63.200 -0.005 0.000 0.844 152 S HN 0.505 nan 8.310 nan 0.000 0.459 153 L N 0.777 122.047 121.223 0.079 0.000 2.046 153 L HA 0.001 4.341 4.340 -0.000 0.000 0.208 153 L C 2.859 179.803 176.870 0.122 0.000 1.077 153 L CA 1.277 56.228 54.840 0.185 0.000 0.747 153 L CB -1.039 41.114 42.059 0.157 0.000 0.896 153 L HN 0.473 nan 8.230 nan 0.000 0.432 154 G N -0.527 108.298 108.800 0.042 0.000 2.422 154 G HA2 -0.225 3.735 3.960 -0.000 0.000 0.218 154 G HA3 -0.225 3.735 3.960 -0.000 0.000 0.218 154 G C 1.777 176.660 174.900 -0.027 0.000 1.146 154 G CA 0.780 45.895 45.100 0.026 0.000 0.769 154 G HN 0.463 nan 8.290 nan 0.000 0.547 155 A N 0.200 122.953 122.820 -0.111 0.000 1.902 155 A HA -0.007 4.313 4.320 -0.000 0.000 0.217 155 A C 2.214 179.650 177.584 -0.245 0.000 1.181 155 A CA 1.524 53.441 52.037 -0.201 0.000 0.623 155 A CB -0.621 18.194 19.000 -0.308 0.000 0.818 155 A HN 0.375 nan 8.150 nan 0.000 0.443 156 Y N 0.175 120.376 120.300 -0.165 0.000 2.224 156 Y HA -0.052 4.498 4.550 -0.000 0.000 0.289 156 Y C 2.765 178.194 175.900 -0.785 0.000 1.146 156 Y CA 0.692 58.512 58.100 -0.466 0.000 1.182 156 Y CB -1.048 37.220 38.460 -0.319 0.000 0.983 156 Y HN 0.316 nan 8.280 nan 0.000 0.524 157 G N -0.244 108.487 108.800 -0.116 0.000 2.422 157 G HA2 -0.209 3.751 3.960 -0.000 0.000 0.218 157 G HA3 -0.209 3.751 3.960 -0.000 0.000 0.218 157 G C 1.598 176.499 174.900 0.002 0.000 1.146 157 G CA 0.896 46.026 45.100 0.051 0.000 0.769 157 G HN 0.252 nan 8.290 nan 0.000 0.547 158 E N 0.702 120.870 120.200 -0.052 0.000 2.077 158 E HA -0.106 4.244 4.350 -0.000 0.000 0.193 158 E C 2.672 179.245 176.600 -0.044 0.000 0.989 158 E CA 0.570 56.950 56.400 -0.034 0.000 0.800 158 E CB -0.238 29.427 29.700 -0.058 0.000 0.746 158 E HN 0.413 nan 8.360 nan 0.000 0.452 159 I N 0.411 120.897 120.570 -0.139 0.000 2.252 159 I HA -0.204 3.966 4.170 -0.000 0.000 0.245 159 I C 2.277 178.401 176.117 0.011 0.000 1.102 159 I CA 1.034 62.257 61.300 -0.129 0.000 1.385 159 I CB -1.185 36.690 38.000 -0.209 0.000 1.064 159 I HN -0.029 nan 8.210 nan 0.000 0.414 160 F N 1.407 121.428 119.950 0.117 0.000 2.134 160 F HA -0.136 4.391 4.527 -0.000 0.000 0.299 160 F C 2.809 178.653 175.800 0.074 0.000 1.097 160 F CA 1.184 59.237 58.000 0.088 0.000 1.264 160 F CB -1.298 37.742 39.000 0.067 0.000 1.001 160 F HN 0.049 nan 8.300 nan 0.000 0.479 161 R N 0.316 120.980 120.500 0.274 0.000 2.091 161 R HA -0.168 4.172 4.340 -0.000 0.000 0.238 161 R C 2.332 178.856 176.300 0.372 0.000 1.136 161 R CA 1.503 57.753 56.100 0.249 0.000 0.959 161 R CB -0.150 30.331 30.300 0.301 0.000 0.856 161 R HN 0.010 nan 8.270 nan 0.000 0.437 162 R N 0.229 120.926 120.500 0.328 0.000 2.075 162 R HA 0.012 4.352 4.340 -0.000 0.000 0.232 162 R C 1.950 178.385 176.300 0.225 0.000 1.126 162 R CA 2.087 58.366 56.100 0.298 0.000 0.963 162 R CB -0.354 30.012 30.300 0.110 0.000 0.858 162 R HN 0.447 nan 8.270 nan 0.000 0.435 163 N N -1.213 117.597 118.700 0.184 0.000 2.149 163 N HA -0.145 4.595 4.740 -0.000 0.000 0.188 163 N C 1.180 176.760 175.510 0.116 0.000 1.019 163 N CA 1.675 54.819 53.050 0.156 0.000 0.857 163 N CB 0.000 38.604 38.487 0.195 0.000 0.997 163 N HN 0.232 nan 8.380 nan 0.000 0.426 164 T N -0.144 114.461 114.554 0.086 0.000 2.708 164 T HA -0.118 4.232 4.350 -0.000 0.000 0.266 164 T C 1.355 176.005 174.700 -0.082 0.000 1.037 164 T CA 1.331 63.408 62.100 -0.037 0.000 1.146 164 T CB -0.487 68.303 68.868 -0.130 0.000 0.865 164 T HN 0.384 nan 8.240 nan 0.000 0.435 165 H N 1.286 120.379 119.070 0.038 0.000 2.357 165 H HA 0.246 4.802 4.556 -0.000 0.000 0.301 165 H C 2.529 177.872 175.328 0.025 0.000 1.082 165 H CA 1.255 57.319 56.048 0.027 0.000 1.342 165 H CB -0.439 29.339 29.762 0.026 0.000 1.389 165 H HN 0.400 nan 8.280 nan 0.000 0.511 166 A N 0.704 123.623 122.820 0.165 0.000 1.898 166 A HA -0.116 4.204 4.320 -0.000 0.000 0.216 166 A C 1.533 179.168 177.584 0.084 0.000 1.181 166 A CA 0.801 52.907 52.037 0.114 0.000 0.620 166 A CB -0.665 18.406 19.000 0.118 0.000 0.819 166 A HN 0.399 nan 8.150 nan 0.000 0.442 167 S N -0.694 115.048 115.700 0.069 0.000 2.573 167 S HA 0.342 4.812 4.470 -0.000 0.000 0.297 167 S C 1.202 175.793 174.600 -0.015 0.000 1.280 167 S CA 0.934 59.162 58.200 0.047 0.000 1.061 167 S CB 0.080 63.295 63.200 0.024 0.000 0.812 167 S HN 2.135 nan 8.310 nan 0.000 0.500 168 G N 2.241 110.990 108.800 -0.084 0.000 2.157 168 G HA2 -0.214 3.746 3.960 -0.000 0.000 0.248 168 G HA3 -0.214 3.746 3.960 -0.000 0.000 0.248 168 G C 0.431 175.166 174.900 -0.275 0.000 0.979 168 G CA 0.233 45.182 45.100 -0.251 0.000 0.650 168 G HN 1.049 nan 8.290 nan 0.000 0.529 169 V N 0.016 119.858 119.914 -0.120 0.000 3.001 169 V HA 0.454 4.574 4.120 -0.000 0.000 0.228 169 V C 0.921 177.100 176.094 0.141 0.000 1.204 169 V CA 1.670 63.953 62.300 -0.029 0.000 1.247 169 V CB 0.346 32.176 31.823 0.013 0.000 1.093 169 V HN 0.678 nan 8.190 nan 0.000 0.504 170 I N -1.065 119.635 120.570 0.216 0.000 2.466 170 I HA 0.613 4.783 4.170 -0.000 0.000 0.289 170 I C -3.026 173.289 176.117 0.330 0.000 1.026 170 I CA -2.563 58.912 61.300 0.293 0.000 1.078 170 I CB 1.654 39.732 38.000 0.129 0.000 1.249 170 I HN -0.007 nan 8.210 nan 0.000 0.429 171 P HA 0.091 nan 4.420 nan 0.000 0.265 171 P C -1.132 176.264 177.300 0.160 0.000 1.193 171 P CA 0.082 63.271 63.100 0.148 0.000 0.765 171 P CB 0.466 31.880 31.700 -0.477 0.000 0.823 172 Q N 2.583 122.529 119.800 0.243 0.000 2.314 172 Q HA 0.473 4.812 4.340 -0.000 0.000 0.259 172 Q C -0.605 175.545 176.000 0.250 0.000 0.951 172 Q CA -0.595 55.342 55.803 0.223 0.000 0.909 172 Q CB 1.296 30.168 28.738 0.223 0.000 1.236 172 Q HN 0.352 nan 8.270 nan 0.000 0.444 173 I N 1.177 121.881 120.570 0.224 0.000 2.465 173 I HA 0.187 4.357 4.170 -0.000 0.000 0.291 173 I C -0.292 175.975 176.117 0.250 0.000 1.014 173 I CA -0.079 61.371 61.300 0.251 0.000 1.093 173 I CB 2.242 40.345 38.000 0.171 0.000 1.267 173 I HN 0.381 nan 8.210 nan 0.000 0.431 174 S N 6.150 122.007 115.700 0.261 0.000 2.422 174 S HA 0.467 4.937 4.470 -0.000 0.000 0.308 174 S C -0.601 174.099 174.600 0.167 0.000 1.097 174 S CA -0.500 57.831 58.200 0.217 0.000 1.099 174 S CB 0.773 64.097 63.200 0.207 0.000 0.976 174 S HN 0.407 nan 8.310 nan 0.000 0.471 175 L N 5.940 127.225 121.223 0.102 0.000 2.261 175 L HA 0.473 4.813 4.340 -0.000 0.000 0.289 175 L C -0.955 175.937 176.870 0.037 0.000 1.059 175 L CA -0.164 54.716 54.840 0.067 0.000 0.816 175 L CB 0.752 42.828 42.059 0.029 0.000 1.191 175 L HN 0.356 nan 8.230 nan 0.000 0.431 176 V N 6.784 126.727 119.914 0.048 0.000 2.333 176 V HA 0.159 4.279 4.120 -0.000 0.000 0.274 176 V C 0.882 176.992 176.094 0.026 0.000 1.028 176 V CA -0.176 62.149 62.300 0.041 0.000 0.851 176 V CB 1.703 33.552 31.823 0.043 0.000 1.000 176 V HN 0.705 nan 8.190 nan 0.000 0.456 177 V N 2.558 122.485 119.914 0.022 0.000 3.605 177 V HA 0.635 4.755 4.120 -0.000 0.000 0.284 177 V C 0.690 176.796 176.094 0.020 0.000 1.386 177 V CA 0.632 62.937 62.300 0.007 0.000 1.053 177 V CB 0.275 32.094 31.823 -0.006 0.000 0.857 177 V HN 0.694 nan 8.190 nan 0.000 0.436 178 G N 0.138 108.976 108.800 0.063 0.000 2.533 178 G HA2 0.673 4.633 3.960 -0.000 0.000 0.304 178 G HA3 0.673 4.633 3.960 -0.000 0.000 0.304 178 G C -3.295 171.703 174.900 0.163 0.000 1.263 178 G CA -2.228 42.935 45.100 0.105 0.000 0.964 178 G HN 0.072 nan 8.290 nan 0.000 0.479 179 P HA 0.041 nan 4.420 nan 0.000 0.262 179 P C -0.310 177.120 177.300 0.218 0.000 1.151 179 P CA 0.098 63.348 63.100 0.250 0.000 0.757 179 P CB 0.403 32.227 31.700 0.206 0.000 0.754 180 C N 4.096 123.530 119.300 0.223 0.000 2.431 180 C HA 0.832 5.292 4.460 -0.000 0.000 0.321 180 C C -0.537 174.562 174.990 0.181 0.000 1.202 180 C CA -0.039 59.082 59.018 0.173 0.000 1.398 180 C CB 0.244 28.064 27.740 0.133 0.000 2.047 180 C HN 0.682 nan 8.230 nan 0.000 0.465 181 A N 4.628 127.529 122.820 0.133 0.000 2.435 181 A HA 0.956 5.276 4.320 -0.000 0.000 0.304 181 A C 0.361 177.966 177.584 0.036 0.000 1.064 181 A CA 0.602 52.721 52.037 0.135 0.000 0.727 181 A CB 0.965 20.047 19.000 0.138 0.000 1.284 181 A HN 2.764 nan 8.150 nan 0.000 0.415 182 G N 0.717 109.529 108.800 0.019 0.000 2.562 182 G HA2 0.139 4.099 3.960 -0.000 0.000 0.250 182 G HA3 0.139 4.099 3.960 -0.000 0.000 0.250 182 G C 1.140 175.961 174.900 -0.133 0.000 1.269 182 G CA 0.471 45.548 45.100 -0.039 0.000 0.919 182 G HN 2.097 nan 8.290 nan 0.000 0.574 183 G N -0.064 108.669 108.800 -0.111 0.000 2.535 183 G HA2 0.309 4.269 3.960 -0.000 0.000 0.218 183 G HA3 0.309 4.269 3.960 -0.000 0.000 0.218 183 G C 2.000 176.865 174.900 -0.059 0.000 1.122 183 G CA 2.378 47.449 45.100 -0.048 0.000 0.769 183 G HN 1.930 nan 8.290 nan 0.000 0.549 184 A N 0.780 123.448 122.820 -0.253 0.000 2.024 184 A HA -0.005 4.315 4.320 -0.000 0.000 0.220 184 A C 2.681 180.279 177.584 0.022 0.000 1.164 184 A CA 2.083 53.954 52.037 -0.278 0.000 0.643 184 A CB -0.636 18.235 19.000 -0.216 0.000 0.806 184 A HN 0.937 nan 8.150 nan 0.000 0.451 185 V N -3.769 116.107 119.914 -0.063 0.000 2.490 185 V HA -0.259 3.861 4.120 -0.000 0.000 0.250 185 V C 2.170 178.225 176.094 -0.065 0.000 1.061 185 V CA 1.937 64.186 62.300 -0.086 0.000 1.064 185 V CB -1.379 30.330 31.823 -0.191 0.000 0.670 185 V HN 0.488 nan 8.190 nan 0.000 0.461 186 Y N 1.530 121.784 120.300 -0.076 0.000 2.224 186 Y HA -0.128 4.422 4.550 -0.000 0.000 0.289 186 Y C 3.205 179.002 175.900 -0.173 0.000 1.146 186 Y CA 1.505 59.421 58.100 -0.308 0.000 1.182 186 Y CB -0.996 36.968 38.460 -0.827 0.000 0.983 186 Y HN 0.425 nan 8.280 nan 0.000 0.524 187 S N -0.251 115.720 115.700 0.450 0.000 2.356 187 S HA -0.096 4.374 4.470 -0.000 0.000 0.223 187 S C -0.516 174.271 174.600 0.312 0.000 1.032 187 S CA 1.321 59.884 58.200 0.605 0.000 1.005 187 S CB -1.083 62.548 63.200 0.719 0.000 0.867 187 S HN 0.199 nan 8.310 nan 0.000 0.449 188 P HA 0.083 nan 4.420 nan 0.000 0.218 188 P C 1.466 178.825 177.300 0.098 0.000 1.149 188 P CA 1.383 64.586 63.100 0.172 0.000 0.817 188 P CB -0.266 31.511 31.700 0.128 0.000 0.785 189 A N -0.059 122.795 122.820 0.057 0.000 1.908 189 A HA -0.194 4.126 4.320 -0.000 0.000 0.218 189 A C 2.170 179.766 177.584 0.020 0.000 1.181 189 A CA 1.488 53.525 52.037 -0.000 0.000 0.627 189 A CB -1.566 17.440 19.000 0.010 0.000 0.818 189 A HN 0.090 nan 8.150 nan 0.000 0.445 190 I N 0.087 120.688 120.570 0.051 0.000 2.286 190 I HA -0.119 4.051 4.170 -0.000 0.000 0.248 190 I C 0.705 176.876 176.117 0.089 0.000 1.115 190 I CA 0.753 62.083 61.300 0.051 0.000 1.392 190 I CB -1.363 36.681 38.000 0.074 0.000 1.065 190 I HN 0.165 nan 8.210 nan 0.000 0.418 191 T N 1.886 116.519 114.554 0.132 0.000 2.940 191 T HA -0.035 4.315 4.350 -0.000 0.000 0.309 191 T C 1.054 175.867 174.700 0.187 0.000 1.056 191 T CA -0.237 61.970 62.100 0.178 0.000 1.137 191 T CB 0.893 69.891 68.868 0.217 0.000 0.976 191 T HN 0.207 nan 8.240 nan 0.000 0.547 192 D N 1.088 121.629 120.400 0.236 0.000 2.117 192 D HA -0.035 4.605 4.640 -0.000 0.000 0.197 192 D C 0.228 176.608 176.300 0.133 0.000 0.987 192 D CA 1.446 55.575 54.000 0.214 0.000 0.829 192 D CB 0.073 41.098 40.800 0.374 0.000 0.961 192 D HN 0.433 nan 8.370 nan 0.000 0.460 193 F N -0.042 120.073 119.950 0.275 0.000 2.529 193 F HA 0.297 4.823 4.527 -0.000 0.000 0.320 193 F C 0.012 176.069 175.800 0.428 0.000 1.118 193 F CA -0.643 57.554 58.000 0.329 0.000 0.915 193 F CB 2.371 41.394 39.000 0.039 0.000 1.161 193 F HN -0.456 nan 8.300 nan 0.000 0.445 194 T N 3.533 118.545 114.554 0.763 0.000 2.807 194 T HA 0.666 5.016 4.350 -0.000 0.000 0.279 194 T C -0.848 174.052 174.700 0.334 0.000 0.993 194 T CA -0.698 61.602 62.100 0.333 0.000 0.970 194 T CB 1.445 70.334 68.868 0.036 0.000 0.950 194 T HN 0.441 nan 8.240 nan 0.000 0.441 195 V N 1.368 121.425 119.914 0.238 0.000 2.876 195 V HA 0.892 5.012 4.120 -0.000 0.000 0.312 195 V C -0.681 175.453 176.094 0.067 0.000 1.085 195 V CA -1.410 60.990 62.300 0.167 0.000 0.945 195 V CB 1.769 33.730 31.823 0.230 0.000 1.017 195 V HN 1.013 nan 8.190 nan 0.000 0.428 196 M N 2.961 122.559 119.600 -0.004 0.000 2.550 196 M HA 0.869 5.349 4.480 -0.000 0.000 0.292 196 M C -0.523 175.733 176.300 -0.074 0.000 1.221 196 M CA -0.972 54.310 55.300 -0.030 0.000 0.873 196 M CB 2.086 34.664 32.600 -0.037 0.000 1.727 196 M HN 0.680 nan 8.290 nan 0.000 0.459 197 V N -1.007 118.870 119.914 -0.062 0.000 2.924 197 V HA 0.237 4.357 4.120 -0.000 0.000 0.305 197 V C 0.144 176.174 176.094 -0.108 0.000 1.073 197 V CA -0.359 61.894 62.300 -0.078 0.000 1.098 197 V CB 0.492 32.281 31.823 -0.056 0.000 1.000 197 V HN 0.895 nan 8.190 nan 0.000 0.484 198 D N 2.683 123.017 120.400 -0.111 0.000 2.458 198 D HA 0.043 4.683 4.640 -0.000 0.000 0.243 198 D C 0.908 177.149 176.300 -0.098 0.000 1.146 198 D CA 0.715 54.650 54.000 -0.108 0.000 0.877 198 D CB 0.572 41.316 40.800 -0.094 0.000 1.176 198 D HN 0.773 nan 8.370 nan 0.000 0.461 199 Q N 1.750 121.480 119.800 -0.116 0.000 2.468 199 Q HA -0.198 4.142 4.340 -0.000 0.000 0.256 199 Q C 0.357 176.305 176.000 -0.087 0.000 0.984 199 Q CA 1.196 56.943 55.803 -0.094 0.000 1.110 199 Q CB -1.864 26.844 28.738 -0.051 0.000 1.527 199 Q HN 0.556 nan 8.270 nan 0.000 0.535 200 T N -1.911 112.572 114.554 -0.119 0.000 3.009 200 T HA 0.114 4.464 4.350 -0.000 0.000 0.267 200 T C 0.275 174.929 174.700 -0.077 0.000 0.942 200 T CA 0.678 62.731 62.100 -0.078 0.000 0.883 200 T CB 0.684 69.514 68.868 -0.062 0.000 1.192 200 T HN 0.402 nan 8.240 nan 0.000 0.524 201 S N 0.852 116.445 115.700 -0.177 0.000 2.588 201 S HA 0.792 5.262 4.470 -0.000 0.000 0.275 201 S C -1.655 172.744 174.600 -0.335 0.000 1.130 201 S CA -0.881 57.258 58.200 -0.103 0.000 0.855 201 S CB 2.001 65.182 63.200 -0.031 0.000 1.116 201 S HN 0.288 nan 8.310 nan 0.000 0.472 202 H N 0.011 119.130 119.070 0.081 0.000 2.907 202 H HA 0.765 5.321 4.556 -0.000 0.000 0.361 202 H C -0.750 174.577 175.328 -0.002 0.000 1.194 202 H CA -0.891 55.184 56.048 0.045 0.000 1.152 202 H CB 1.448 31.409 29.762 0.331 0.000 1.867 202 H HN 0.605 nan 8.280 nan 0.000 0.561 203 M N 1.464 121.013 119.600 -0.084 0.000 2.518 203 M HA 0.531 5.011 4.480 -0.000 0.000 0.300 203 M C -1.676 174.320 176.300 -0.508 0.000 1.175 203 M CA -0.481 54.801 55.300 -0.030 0.000 0.890 203 M CB 2.249 34.950 32.600 0.170 0.000 1.710 203 M HN 0.377 nan 8.290 nan 0.000 0.453 204 F N 1.345 121.377 119.950 0.137 0.000 2.588 204 F HA 0.313 4.840 4.527 -0.000 0.000 0.318 204 F C 0.393 176.188 175.800 -0.008 0.000 1.155 204 F CA -0.752 57.291 58.000 0.072 0.000 0.967 204 F CB 1.277 40.330 39.000 0.088 0.000 1.236 204 F HN 0.506 nan 8.300 nan 0.000 0.455 205 I N 1.559 122.196 120.570 0.111 0.000 2.315 205 I HA -0.046 4.124 4.170 -0.000 0.000 0.248 205 I C 0.657 176.806 176.117 0.054 0.000 1.117 205 I CA 1.779 63.074 61.300 -0.008 0.000 1.404 205 I CB -0.231 37.745 38.000 -0.041 0.000 1.071 205 I HN 0.540 nan 8.210 nan 0.000 0.419 206 T N -0.593 114.041 114.554 0.133 0.000 2.896 206 T HA 0.672 5.022 4.350 -0.000 0.000 0.297 206 T C -0.005 174.720 174.700 0.041 0.000 1.108 206 T CA -0.339 61.805 62.100 0.073 0.000 1.004 206 T CB 1.253 70.140 68.868 0.032 0.000 1.159 206 T HN 0.264 nan 8.240 nan 0.000 0.499 207 G N 0.820 109.564 108.800 -0.094 0.000 2.572 207 G HA2 0.446 4.406 3.960 -0.000 0.000 0.261 207 G HA3 0.446 4.406 3.960 -0.000 0.000 0.261 207 G C -1.765 172.932 174.900 -0.339 0.000 1.197 207 G CA -1.387 43.536 45.100 -0.295 0.000 0.870 207 G HN 0.436 nan 8.290 nan 0.000 0.548 208 P HA -0.068 nan 4.420 nan 0.000 0.216 208 P C 1.419 178.552 177.300 -0.277 0.000 1.153 208 P CA 1.473 64.286 63.100 -0.477 0.000 0.848 208 P CB 0.152 31.367 31.700 -0.809 0.000 0.787 209 D N -0.485 119.780 120.400 -0.226 0.000 2.123 209 D HA -0.132 4.508 4.640 -0.000 0.000 0.196 209 D C 1.735 177.975 176.300 -0.100 0.000 0.992 209 D CA 1.193 55.114 54.000 -0.132 0.000 0.833 209 D CB -1.449 39.302 40.800 -0.082 0.000 0.954 209 D HN 0.044 nan 8.370 nan 0.000 0.455 210 V N 1.973 121.830 119.914 -0.096 0.000 2.358 210 V HA -0.213 3.907 4.120 -0.000 0.000 0.246 210 V C 2.734 178.792 176.094 -0.060 0.000 1.047 210 V CA 1.669 63.929 62.300 -0.065 0.000 1.035 210 V CB -0.867 30.926 31.823 -0.051 0.000 0.658 210 V HN 0.382 nan 8.190 nan 0.000 0.452 211 I N -0.632 119.892 120.570 -0.077 0.000 2.335 211 I HA -0.263 3.907 4.170 -0.000 0.000 0.251 211 I C 2.426 178.511 176.117 -0.054 0.000 1.129 211 I CA 2.213 63.479 61.300 -0.057 0.000 1.402 211 I CB -0.634 37.326 38.000 -0.066 0.000 1.069 211 I HN 0.241 nan 8.210 nan 0.000 0.424 212 K N 1.564 121.923 120.400 -0.069 0.000 2.097 212 K HA -0.178 4.142 4.320 -0.000 0.000 0.206 212 K C 2.245 178.820 176.600 -0.042 0.000 1.049 212 K CA 2.293 58.546 56.287 -0.058 0.000 0.933 212 K CB -0.250 32.209 32.500 -0.069 0.000 0.717 212 K HN 0.662 nan 8.250 nan 0.000 0.442 213 T N -1.997 112.533 114.554 -0.040 0.000 2.777 213 T HA -0.076 4.274 4.350 -0.000 0.000 0.266 213 T C 1.891 176.578 174.700 -0.022 0.000 1.040 213 T CA 1.438 63.520 62.100 -0.029 0.000 1.141 213 T CB -0.233 68.619 68.868 -0.027 0.000 0.868 213 T HN 0.022 nan 8.240 nan 0.000 0.444 214 V N 1.047 120.948 119.914 -0.022 0.000 2.581 214 V HA 0.025 4.145 4.120 -0.000 0.000 0.240 214 V C 2.961 179.046 176.094 -0.014 0.000 1.054 214 V CA 1.568 63.859 62.300 -0.015 0.000 1.076 214 V CB -0.595 31.221 31.823 -0.012 0.000 0.748 214 V HN 0.489 nan 8.190 nan 0.000 0.474 215 T N -0.122 114.422 114.554 -0.017 0.000 2.896 215 T HA 0.148 4.498 4.350 -0.000 0.000 0.263 215 T C 1.585 176.276 174.700 -0.015 0.000 1.050 215 T CA 1.411 63.503 62.100 -0.014 0.000 1.140 215 T CB -0.187 68.672 68.868 -0.015 0.000 0.877 215 T HN 0.801 nan 8.240 nan 0.000 0.457 216 G N 2.363 111.150 108.800 -0.021 0.000 2.157 216 G HA2 -0.241 3.719 3.960 -0.000 0.000 0.248 216 G HA3 -0.241 3.719 3.960 -0.000 0.000 0.248 216 G C -0.110 174.776 174.900 -0.022 0.000 0.979 216 G CA 0.278 45.366 45.100 -0.021 0.000 0.650 216 G HN 0.720 nan 8.290 nan 0.000 0.529 217 E N 0.434 120.619 120.200 -0.025 0.000 2.166 217 E HA 0.650 5.000 4.350 -0.000 0.000 0.275 217 E C -1.481 175.095 176.600 -0.039 0.000 0.941 217 E CA -1.082 55.302 56.400 -0.026 0.000 0.784 217 E CB 1.895 31.583 29.700 -0.020 0.000 1.115 217 E HN 0.002 nan 8.360 nan 0.000 0.399 218 D N 2.759 123.134 120.400 -0.041 0.000 2.278 218 D HA 0.413 5.053 4.640 -0.000 0.000 0.245 218 D C -1.100 175.164 176.300 -0.060 0.000 1.052 218 D CA -0.479 53.487 54.000 -0.057 0.000 0.834 218 D CB 2.098 42.869 40.800 -0.049 0.000 1.194 218 D HN 0.272 nan 8.370 nan 0.000 0.481 219 V N 1.168 121.027 119.914 -0.091 0.000 2.962 219 V HA 0.664 4.784 4.120 -0.000 0.000 0.313 219 V C 0.803 176.820 176.094 -0.128 0.000 1.099 219 V CA -0.930 61.318 62.300 -0.085 0.000 0.971 219 V CB 2.234 34.015 31.823 -0.069 0.000 1.028 219 V HN 0.582 nan 8.190 nan 0.000 0.430 220 G N 0.316 109.075 108.800 -0.068 0.000 2.572 220 G HA2 0.388 4.348 3.960 -0.000 0.000 0.261 220 G HA3 0.388 4.348 3.960 -0.000 0.000 0.261 220 G C 0.232 175.118 174.900 -0.023 0.000 1.197 220 G CA -0.027 45.046 45.100 -0.045 0.000 0.870 220 G HN 0.506 nan 8.290 nan 0.000 0.548 221 F N -0.225 119.757 119.950 0.053 0.000 2.102 221 F HA -0.026 4.500 4.527 -0.000 0.000 0.298 221 F C 2.637 178.737 175.800 0.499 0.000 1.105 221 F CA 1.842 59.917 58.000 0.126 0.000 1.239 221 F CB -0.042 38.845 39.000 -0.188 0.000 0.991 221 F HN 0.588 nan 8.300 nan 0.000 0.474 222 E N 0.346 120.891 120.200 0.575 0.000 2.077 222 E HA -0.192 4.158 4.350 -0.000 0.000 0.193 222 E C 2.057 178.761 176.600 0.173 0.000 0.989 222 E CA 1.501 58.114 56.400 0.355 0.000 0.800 222 E CB -0.217 29.610 29.700 0.212 0.000 0.746 222 E HN 0.161 nan 8.360 nan 0.000 0.452 223 E N 0.083 120.367 120.200 0.139 0.000 2.047 223 E HA -0.147 4.203 4.350 -0.000 0.000 0.191 223 E C 2.148 178.776 176.600 0.047 0.000 0.987 223 E CA 1.097 57.535 56.400 0.062 0.000 0.799 223 E CB -0.501 29.223 29.700 0.042 0.000 0.752 223 E HN 0.359 nan 8.360 nan 0.000 0.449 224 L N -0.436 120.863 121.223 0.126 0.000 2.027 224 L HA -0.015 4.325 4.340 -0.000 0.000 0.206 224 L C 1.792 178.670 176.870 0.013 0.000 1.074 224 L CA 2.574 57.510 54.840 0.160 0.000 0.745 224 L CB -0.469 41.780 42.059 0.317 0.000 0.898 224 L HN 0.128 nan 8.230 nan 0.000 0.433 225 G N -1.642 107.086 108.800 -0.120 0.000 3.146 225 G HA2 0.296 4.256 3.960 -0.000 0.000 0.238 225 G HA3 0.296 4.256 3.960 -0.000 0.000 0.238 225 G C 0.695 175.230 174.900 -0.609 0.000 1.022 225 G CA 0.240 44.877 45.100 -0.772 0.000 0.880 225 G HN 0.664 nan 8.290 nan 0.000 0.533 226 G N -0.111 108.547 108.800 -0.236 0.000 2.606 226 G HA2 0.446 4.406 3.960 -0.000 0.000 0.252 226 G HA3 0.446 4.406 3.960 -0.000 0.000 0.252 226 G C 1.286 176.044 174.900 -0.237 0.000 1.206 226 G CA 0.400 45.339 45.100 -0.268 0.000 0.861 226 G HN 0.415 nan 8.290 nan 0.000 0.561 227 A N 0.784 123.486 122.820 -0.198 0.000 1.972 227 A HA -0.103 4.217 4.320 -0.000 0.000 0.219 227 A C 2.312 179.838 177.584 -0.097 0.000 1.169 227 A CA 1.940 53.910 52.037 -0.110 0.000 0.635 227 A CB -0.397 18.530 19.000 -0.120 0.000 0.810 227 A HN 0.735 nan 8.150 nan 0.000 0.446 228 R N -0.569 119.867 120.500 -0.108 0.000 2.096 228 R HA -0.114 4.226 4.340 -0.000 0.000 0.235 228 R C 1.962 178.221 176.300 -0.067 0.000 1.127 228 R CA 2.224 58.277 56.100 -0.079 0.000 0.968 228 R CB -0.786 29.474 30.300 -0.067 0.000 0.861 228 R HN 0.409 nan 8.270 nan 0.000 0.440 229 T N 0.421 114.910 114.554 -0.109 0.000 2.777 229 T HA -0.106 4.244 4.350 -0.000 0.000 0.266 229 T C 1.430 176.042 174.700 -0.146 0.000 1.040 229 T CA 1.345 63.362 62.100 -0.138 0.000 1.141 229 T CB -0.346 68.398 68.868 -0.207 0.000 0.868 229 T HN 0.369 nan 8.240 nan 0.000 0.444 230 H N 1.127 120.132 119.070 -0.108 0.000 2.321 230 H HA 0.030 4.586 4.556 -0.000 0.000 0.300 230 H C 2.390 177.642 175.328 -0.127 0.000 1.087 230 H CA 1.334 57.301 56.048 -0.136 0.000 1.319 230 H CB -0.573 29.089 29.762 -0.167 0.000 1.379 230 H HN 0.362 nan 8.280 nan 0.000 0.501 231 N N 0.018 118.734 118.700 0.027 0.000 2.058 231 N HA -0.146 4.594 4.740 -0.000 0.000 0.191 231 N C 2.215 177.760 175.510 0.058 0.000 1.037 231 N CA 2.083 55.125 53.050 -0.014 0.000 0.848 231 N CB 0.125 38.587 38.487 -0.042 0.000 1.021 231 N HN 0.286 nan 8.380 nan 0.000 0.422 232 S N -1.026 114.731 115.700 0.096 0.000 2.345 232 S HA -0.079 4.391 4.470 -0.000 0.000 0.219 232 S C 1.882 176.693 174.600 0.352 0.000 1.031 232 S CA 1.687 60.003 58.200 0.193 0.000 0.984 232 S CB -0.680 62.574 63.200 0.091 0.000 0.874 232 S HN 0.354 nan 8.310 nan 0.000 0.451 233 T N 1.406 116.087 114.554 0.212 0.000 3.044 233 T HA 0.127 4.477 4.350 -0.000 0.000 0.237 233 T C 2.311 177.149 174.700 0.230 0.000 1.001 233 T CA 0.738 62.957 62.100 0.199 0.000 1.160 233 T CB -0.807 68.109 68.868 0.080 0.000 0.889 233 T HN 0.584 nan 8.240 nan 0.000 0.442 234 S N 1.574 117.339 115.700 0.109 0.000 2.383 234 S HA 0.253 4.723 4.470 -0.000 0.000 0.227 234 S C 2.149 176.659 174.600 -0.150 0.000 1.026 234 S CA 1.013 59.243 58.200 0.051 0.000 0.981 234 S CB -1.006 62.239 63.200 0.074 0.000 0.818 234 S HN 1.238 nan 8.310 nan 0.000 0.472 235 G N 0.122 108.684 108.800 -0.397 0.000 2.141 235 G HA2 -0.278 3.682 3.960 -0.000 0.000 0.242 235 G HA3 -0.278 3.682 3.960 -0.000 0.000 0.242 235 G C 0.717 175.213 174.900 -0.673 0.000 0.982 235 G CA 0.243 44.648 45.100 -1.159 0.000 0.662 235 G HN 0.831 nan 8.290 nan 0.000 0.527 236 V N -0.604 119.074 119.914 -0.393 0.000 2.343 236 V HA 0.306 4.425 4.120 -0.000 0.000 0.247 236 V C 1.750 177.564 176.094 -0.466 0.000 1.051 236 V CA 2.284 64.339 62.300 -0.408 0.000 1.036 236 V CB -0.651 30.871 31.823 -0.501 0.000 0.654 236 V HN 1.644 nan 8.190 nan 0.000 0.451 237 A N -1.623 120.969 122.820 -0.380 0.000 2.304 237 A HA 0.597 4.917 4.320 -0.000 0.000 0.314 237 A C 0.461 177.922 177.584 -0.205 0.000 1.187 237 A CA -0.483 51.381 52.037 -0.288 0.000 0.810 237 A CB 0.511 19.419 19.000 -0.153 0.000 1.183 237 A HN 0.459 nan 8.150 nan 0.000 0.487 238 H N 0.504 119.595 119.070 0.035 0.000 2.326 238 H HA -0.020 4.536 4.556 -0.000 0.000 0.301 238 H C 0.652 176.045 175.328 0.109 0.000 1.081 238 H CA 2.531 58.650 56.048 0.118 0.000 1.334 238 H CB 0.053 30.010 29.762 0.325 0.000 1.385 238 H HN 0.831 nan 8.280 nan 0.000 0.504 239 H N -0.907 118.178 119.070 0.025 0.000 2.851 239 H HA 0.398 4.953 4.556 -0.000 0.000 0.372 239 H C -1.172 174.025 175.328 -0.218 0.000 1.158 239 H CA -1.145 54.764 56.048 -0.233 0.000 1.159 239 H CB 1.307 30.586 29.762 -0.806 0.000 1.757 239 H HN 0.069 nan 8.280 nan 0.000 0.546 240 M N 4.029 123.042 119.600 -0.979 0.000 2.294 240 M HA 0.688 5.167 4.480 -0.000 0.000 0.335 240 M C -0.873 174.950 176.300 -0.794 0.000 1.079 240 M CA -0.692 54.231 55.300 -0.630 0.000 0.982 240 M CB 1.180 33.556 32.600 -0.373 0.000 1.651 240 M HN 0.770 nan 8.290 nan 0.000 0.437 241 A N 3.408 126.013 122.820 -0.358 0.000 2.406 241 A HA 0.482 4.802 4.320 -0.000 0.000 0.243 241 A C 1.086 178.591 177.584 -0.130 0.000 1.082 241 A CA 0.164 52.106 52.037 -0.158 0.000 0.786 241 A CB 0.010 18.984 19.000 -0.044 0.000 1.029 241 A HN 1.135 nan 8.150 nan 0.000 0.495 242 G N 0.133 108.898 108.800 -0.057 0.000 2.418 242 G HA2 0.121 4.081 3.960 -0.000 0.000 0.217 242 G HA3 0.121 4.081 3.960 -0.000 0.000 0.217 242 G C 0.424 175.303 174.900 -0.036 0.000 1.158 242 G CA 1.350 46.425 45.100 -0.042 0.000 0.771 242 G HN 1.077 nan 8.290 nan 0.000 0.545 243 D N -2.415 117.972 120.400 -0.020 0.000 2.692 243 D HA 0.101 4.741 4.640 -0.000 0.000 0.290 243 D C 0.216 176.517 176.300 0.001 0.000 1.281 243 D CA -0.559 53.434 54.000 -0.011 0.000 0.804 243 D CB 0.494 41.292 40.800 -0.002 0.000 1.331 243 D HN 0.030 nan 8.370 nan 0.000 0.432 244 E N 0.108 120.309 120.200 0.001 0.000 2.077 244 E HA -0.130 4.220 4.350 -0.000 0.000 0.193 244 E C 1.642 178.257 176.600 0.024 0.000 0.989 244 E CA 1.204 57.610 56.400 0.011 0.000 0.800 244 E CB 0.161 29.863 29.700 0.003 0.000 0.746 244 E HN 0.331 nan 8.360 nan 0.000 0.452 245 K N 0.565 120.978 120.400 0.021 0.000 2.057 245 K HA -0.166 4.154 4.320 -0.000 0.000 0.207 245 K C 1.679 178.307 176.600 0.046 0.000 1.049 245 K CA 1.488 57.791 56.287 0.026 0.000 0.931 245 K CB -0.022 32.489 32.500 0.018 0.000 0.714 245 K HN 0.051 nan 8.250 nan 0.000 0.440 246 D N 0.501 120.933 120.400 0.054 0.000 2.097 246 D HA -0.116 4.524 4.640 -0.000 0.000 0.197 246 D C 1.795 178.176 176.300 0.135 0.000 0.984 246 D CA 1.358 55.411 54.000 0.089 0.000 0.826 246 D CB -0.184 40.665 40.800 0.082 0.000 0.973 246 D HN 0.196 nan 8.370 nan 0.000 0.460 247 A N 0.315 123.202 122.820 0.112 0.000 1.933 247 A HA -0.123 4.197 4.320 -0.000 0.000 0.218 247 A C 2.415 180.098 177.584 0.166 0.000 1.175 247 A CA 1.176 53.298 52.037 0.142 0.000 0.628 247 A CB -0.684 18.363 19.000 0.078 0.000 0.814 247 A HN 0.150 nan 8.150 nan 0.000 0.444 248 V N 0.079 120.058 119.914 0.108 0.000 2.343 248 V HA -0.227 3.893 4.120 -0.000 0.000 0.247 248 V C 2.576 178.729 176.094 0.097 0.000 1.051 248 V CA 2.319 64.672 62.300 0.087 0.000 1.036 248 V CB -0.740 31.107 31.823 0.041 0.000 0.654 248 V HN 0.687 nan 8.190 nan 0.000 0.451 249 E N 0.044 120.308 120.200 0.107 0.000 2.077 249 E HA -0.265 4.085 4.350 -0.000 0.000 0.193 249 E C 2.056 178.739 176.600 0.139 0.000 0.989 249 E CA 1.780 58.239 56.400 0.098 0.000 0.800 249 E CB -0.561 29.196 29.700 0.096 0.000 0.746 249 E HN 0.700 nan 8.360 nan 0.000 0.452 250 Y N -0.056 120.287 120.300 0.071 0.000 2.242 250 Y HA -0.168 4.382 4.550 -0.000 0.000 0.291 250 Y C 1.936 177.919 175.900 0.139 0.000 1.137 250 Y CA 1.735 59.903 58.100 0.114 0.000 1.181 250 Y CB -0.037 38.391 38.460 -0.055 0.000 0.989 250 Y HN -0.017 nan 8.280 nan 0.000 0.527 251 V N 0.876 120.941 119.914 0.253 0.000 2.407 251 V HA -0.293 3.827 4.120 -0.000 0.000 0.248 251 V C 2.294 178.355 176.094 -0.054 0.000 1.055 251 V CA 2.053 64.401 62.300 0.080 0.000 1.049 251 V CB -0.680 31.219 31.823 0.127 0.000 0.662 251 V HN 0.315 nan 8.190 nan 0.000 0.455 252 K N -0.275 120.113 120.400 -0.020 0.000 2.026 252 K HA -0.192 4.128 4.320 -0.000 0.000 0.208 252 K C 2.366 178.889 176.600 -0.128 0.000 1.048 252 K CA 1.372 57.624 56.287 -0.058 0.000 0.929 252 K CB -0.271 32.217 32.500 -0.019 0.000 0.713 252 K HN 0.412 nan 8.250 nan 0.000 0.439 253 Q N 0.735 120.456 119.800 -0.132 0.000 2.079 253 Q HA -0.128 4.212 4.340 -0.000 0.000 0.200 253 Q C 2.202 177.882 176.000 -0.534 0.000 0.974 253 Q CA 0.957 56.617 55.803 -0.239 0.000 0.840 253 Q CB -0.276 28.449 28.738 -0.022 0.000 0.898 253 Q HN 0.193 nan 8.270 nan 0.000 0.430 254 L N 0.543 121.349 121.223 -0.696 0.000 2.083 254 L HA -0.148 4.192 4.340 -0.000 0.000 0.209 254 L C 2.128 178.686 176.870 -0.520 0.000 1.083 254 L CA 1.345 55.695 54.840 -0.815 0.000 0.752 254 L CB -0.824 40.824 42.059 -0.685 0.000 0.899 254 L HN 0.165 nan 8.230 nan 0.000 0.433 255 L N -0.390 120.615 121.223 -0.363 0.000 2.083 255 L HA -0.178 4.162 4.340 -0.000 0.000 0.209 255 L C 2.798 179.492 176.870 -0.294 0.000 1.083 255 L CA 1.973 56.635 54.840 -0.297 0.000 0.752 255 L CB -0.821 41.126 42.059 -0.186 0.000 0.899 255 L HN 0.629 nan 8.230 nan 0.000 0.433 256 S N -2.007 113.523 115.700 -0.284 0.000 2.368 256 S HA -0.266 4.204 4.470 -0.000 0.000 0.225 256 S C 2.073 176.474 174.600 -0.333 0.000 1.030 256 S CA 1.323 59.352 58.200 -0.285 0.000 0.999 256 S CB -1.150 61.852 63.200 -0.331 0.000 0.844 256 S HN 0.494 nan 8.310 nan 0.000 0.459 257 Y N 2.056 122.065 120.300 -0.485 0.000 2.181 257 Y HA 0.158 4.708 4.550 -0.000 0.000 0.288 257 Y C 1.459 177.071 175.900 -0.480 0.000 1.146 257 Y CA 0.554 58.354 58.100 -0.500 0.000 1.164 257 Y CB -0.299 37.698 38.460 -0.773 0.000 0.982 257 Y HN 0.212 nan 8.280 nan 0.000 0.515 258 L N 1.729 122.705 121.223 -0.411 0.000 2.456 258 L HA 0.230 4.570 4.340 -0.000 0.000 0.257 258 L C -2.098 174.581 176.870 -0.317 0.000 1.162 258 L CA -2.175 52.401 54.840 -0.440 0.000 0.808 258 L CB 0.341 41.978 42.059 -0.704 0.000 1.136 258 L HN -0.124 nan 8.230 nan 0.000 0.466 259 P HA 0.142 nan 4.420 nan 0.000 0.276 259 P C 0.010 177.225 177.300 -0.142 0.000 1.244 259 P CA -0.489 62.528 63.100 -0.138 0.000 0.801 259 P CB 1.082 32.775 31.700 -0.012 0.000 1.006 260 S N 0.988 116.636 115.700 -0.086 0.000 2.368 260 S HA -0.121 4.349 4.470 -0.000 0.000 0.225 260 S C 0.865 175.461 174.600 -0.006 0.000 1.030 260 S CA 1.065 59.226 58.200 -0.066 0.000 0.999 260 S CB -0.940 62.227 63.200 -0.056 0.000 0.844 260 S HN 0.785 nan 8.310 nan 0.000 0.459 261 N N 0.639 119.368 118.700 0.047 0.000 2.708 261 N HA 0.231 4.971 4.740 -0.000 0.000 0.257 261 N C -0.144 175.456 175.510 0.150 0.000 1.373 261 N CA -0.456 52.672 53.050 0.129 0.000 0.843 261 N CB 0.225 38.746 38.487 0.058 0.000 1.503 261 N HN 0.013 nan 8.380 nan 0.000 0.504 262 N N 0.479 119.267 118.700 0.147 0.000 2.149 262 N HA -0.166 4.574 4.740 -0.000 0.000 0.188 262 N C 1.036 176.564 175.510 0.030 0.000 1.019 262 N CA 1.313 54.404 53.050 0.069 0.000 0.857 262 N CB -0.416 38.009 38.487 -0.103 0.000 0.997 262 N HN 0.511 nan 8.380 nan 0.000 0.426 263 L N 0.709 121.940 121.223 0.014 0.000 2.083 263 L HA 0.005 4.345 4.340 -0.000 0.000 0.209 263 L C 1.067 177.940 176.870 0.005 0.000 1.083 263 L CA 1.112 55.952 54.840 -0.000 0.000 0.752 263 L CB -1.800 40.255 42.059 -0.008 0.000 0.899 263 L HN 0.401 nan 8.230 nan 0.000 0.433 264 S N -0.486 115.221 115.700 0.012 0.000 2.578 264 S HA 0.269 4.739 4.470 -0.000 0.000 0.283 264 S C -0.012 174.591 174.600 0.005 0.000 1.195 264 S CA -0.775 57.424 58.200 -0.002 0.000 1.050 264 S CB 2.153 65.342 63.200 -0.018 0.000 1.012 264 S HN 0.253 nan 8.310 nan 0.000 0.511 265 E N 2.538 122.731 120.200 -0.010 0.000 2.398 265 E HA 0.215 4.565 4.350 -0.000 0.000 0.263 265 E C -2.100 174.476 176.600 -0.039 0.000 1.046 265 E CA -1.965 54.428 56.400 -0.011 0.000 0.908 265 E CB 0.367 30.057 29.700 -0.016 0.000 0.963 265 E HN 0.487 nan 8.360 nan 0.000 0.431 266 P HA 0.106 nan 4.420 nan 0.000 0.271 266 P C -2.564 174.651 177.300 -0.141 0.000 1.216 266 P CA -1.313 61.738 63.100 -0.081 0.000 0.776 266 P CB 0.191 31.855 31.700 -0.059 0.000 0.881 267 P HA 0.170 nan 4.420 nan 0.000 0.267 267 P C -0.821 176.242 177.300 -0.394 0.000 1.205 267 P CA 0.289 63.211 63.100 -0.296 0.000 0.765 267 P CB 0.428 31.958 31.700 -0.283 0.000 0.828 268 A N 3.216 125.719 122.820 -0.528 0.000 2.435 268 A HA 0.753 5.073 4.320 -0.000 0.000 0.304 268 A C -1.452 175.739 177.584 -0.655 0.000 1.064 268 A CA -0.507 51.278 52.037 -0.420 0.000 0.727 268 A CB 1.061 19.942 19.000 -0.198 0.000 1.284 268 A HN 0.328 nan 8.150 nan 0.000 0.415 269 F N 2.400 122.327 119.950 -0.038 0.000 2.691 269 F HA 0.354 4.881 4.527 -0.000 0.000 0.371 269 F C -2.143 173.647 175.800 -0.017 0.000 1.159 269 F CA -2.244 55.737 58.000 -0.032 0.000 1.174 269 F CB 1.595 40.568 39.000 -0.045 0.000 1.419 269 F HN 0.308 nan 8.300 nan 0.000 0.514 270 P HA 0.083 nan 4.420 nan 0.000 0.267 270 P C -0.614 176.735 177.300 0.083 0.000 1.209 270 P CA 0.259 63.406 63.100 0.079 0.000 0.763 270 P CB 1.204 32.934 31.700 0.050 0.000 0.816 271 E N 1.454 121.695 120.200 0.069 0.000 2.393 271 E HA 0.467 4.817 4.350 -0.000 0.000 0.273 271 E C -1.412 175.216 176.600 0.047 0.000 0.918 271 E CA -1.033 55.399 56.400 0.054 0.000 0.773 271 E CB 2.132 31.864 29.700 0.052 0.000 1.275 271 E HN 0.413 nan 8.360 nan 0.000 0.451 272 E N 1.336 121.559 120.200 0.039 0.000 2.199 272 E HA 0.615 4.965 4.350 -0.000 0.000 0.269 272 E C -1.692 174.929 176.600 0.035 0.000 0.899 272 E CA -0.972 55.450 56.400 0.037 0.000 0.772 272 E CB 1.776 31.494 29.700 0.031 0.000 1.155 272 E HN 0.608 nan 8.360 nan 0.000 0.408 273 A N 3.900 126.744 122.820 0.039 0.000 2.355 273 A HA 0.301 4.621 4.320 -0.000 0.000 0.317 273 A C -0.856 176.749 177.584 0.035 0.000 1.094 273 A CA -0.771 51.289 52.037 0.039 0.000 0.764 273 A CB 1.311 20.340 19.000 0.049 0.000 1.230 273 A HN 0.826 nan 8.150 nan 0.000 0.448 274 D N 1.620 122.037 120.400 0.029 0.000 2.450 274 D HA 0.241 4.881 4.640 -0.000 0.000 0.247 274 D C 0.681 176.996 176.300 0.025 0.000 1.162 274 D CA 0.201 54.215 54.000 0.023 0.000 0.879 274 D CB 0.399 41.210 40.800 0.018 0.000 1.163 274 D HN 0.397 nan 8.370 nan 0.000 0.472 275 L N 3.098 124.336 121.223 0.025 0.000 2.529 275 L HA 0.256 4.596 4.340 -0.000 0.000 0.223 275 L C 1.115 177.994 176.870 0.016 0.000 1.113 275 L CA -0.168 54.689 54.840 0.028 0.000 0.861 275 L CB -0.183 41.897 42.059 0.035 0.000 1.012 275 L HN 0.427 nan 8.230 nan 0.000 0.461 276 A N 0.804 123.629 122.820 0.009 0.000 2.477 276 A HA 0.343 4.663 4.320 -0.000 0.000 0.246 276 A C 0.377 177.954 177.584 -0.012 0.000 1.078 276 A CA -0.415 51.622 52.037 -0.000 0.000 0.770 276 A CB 0.001 19.001 19.000 -0.000 0.000 1.011 276 A HN 0.080 nan 8.150 nan 0.000 0.494 277 V N 1.853 121.754 119.914 -0.022 0.000 2.540 277 V HA 0.411 4.531 4.120 -0.000 0.000 0.297 277 V C 0.635 176.706 176.094 -0.039 0.000 1.024 277 V CA 0.296 62.572 62.300 -0.040 0.000 1.105 277 V CB 0.113 31.904 31.823 -0.053 0.000 0.938 277 V HN 0.922 nan 8.190 nan 0.000 0.482 278 T N 1.822 116.347 114.554 -0.047 0.000 2.950 278 T HA 0.304 4.654 4.350 -0.000 0.000 0.288 278 T C 0.788 175.458 174.700 -0.051 0.000 1.035 278 T CA -0.401 61.676 62.100 -0.038 0.000 1.028 278 T CB 1.532 70.386 68.868 -0.022 0.000 1.109 278 T HN 0.837 nan 8.240 nan 0.000 0.514 279 D N 1.777 122.155 120.400 -0.037 0.000 2.263 279 D HA -0.085 4.555 4.640 -0.000 0.000 0.208 279 D C 1.542 177.805 176.300 -0.061 0.000 0.971 279 D CA 0.994 54.968 54.000 -0.043 0.000 0.867 279 D CB 0.184 40.969 40.800 -0.024 0.000 0.929 279 D HN 0.574 nan 8.370 nan 0.000 0.492 280 E N 0.912 121.079 120.200 -0.055 0.000 2.110 280 E HA -0.132 4.218 4.350 -0.000 0.000 0.193 280 E C 1.626 178.088 176.600 -0.230 0.000 0.988 280 E CA 0.778 57.137 56.400 -0.067 0.000 0.804 280 E CB -0.093 29.595 29.700 -0.019 0.000 0.745 280 E HN 0.264 nan 8.360 nan 0.000 0.458 281 D N -0.157 120.116 120.400 -0.211 0.000 2.117 281 D HA -0.125 4.515 4.640 -0.000 0.000 0.197 281 D C 1.812 177.967 176.300 -0.241 0.000 0.987 281 D CA 1.425 55.264 54.000 -0.268 0.000 0.829 281 D CB -0.210 40.498 40.800 -0.153 0.000 0.961 281 D HN 0.212 nan 8.370 nan 0.000 0.460 282 A N 1.071 123.797 122.820 -0.157 0.000 1.972 282 A HA -0.213 4.107 4.320 -0.000 0.000 0.219 282 A C 2.073 179.582 177.584 -0.126 0.000 1.169 282 A CA 1.622 53.581 52.037 -0.131 0.000 0.635 282 A CB -0.570 18.377 19.000 -0.088 0.000 0.810 282 A HN 0.266 nan 8.150 nan 0.000 0.446 283 E N -0.624 119.511 120.200 -0.108 0.000 2.160 283 E HA -0.212 4.138 4.350 -0.000 0.000 0.195 283 E C 1.739 178.337 176.600 -0.003 0.000 0.991 283 E CA 1.113 57.499 56.400 -0.024 0.000 0.810 283 E CB -0.168 29.564 29.700 0.053 0.000 0.742 283 E HN 0.413 nan 8.360 nan 0.000 0.466 284 L N 1.657 122.847 121.223 -0.054 0.000 2.187 284 L HA -0.178 4.162 4.340 -0.000 0.000 0.213 284 L C 1.731 178.520 176.870 -0.136 0.000 1.100 284 L CA 1.712 56.572 54.840 0.033 0.000 0.765 284 L CB -0.544 41.501 42.059 -0.023 0.000 0.904 284 L HN 0.141 nan 8.230 nan 0.000 0.437 285 D N -0.995 119.294 120.400 -0.186 0.000 2.149 285 D HA -0.159 4.481 4.640 -0.000 0.000 0.198 285 D C 1.802 177.970 176.300 -0.220 0.000 0.990 285 D CA 1.874 55.716 54.000 -0.264 0.000 0.839 285 D CB 0.192 40.877 40.800 -0.191 0.000 0.948 285 D HN 0.519 nan 8.370 nan 0.000 0.460 286 T N -1.795 112.681 114.554 -0.131 0.000 3.086 286 T HA 0.099 4.449 4.350 -0.000 0.000 0.250 286 T C 2.021 176.662 174.700 -0.098 0.000 1.074 286 T CA -0.232 61.809 62.100 -0.098 0.000 0.988 286 T CB -0.006 68.825 68.868 -0.062 0.000 0.988 286 T HN 0.103 nan 8.240 nan 0.000 0.530 287 I N 2.099 122.607 120.570 -0.104 0.000 2.208 287 I HA -0.026 4.144 4.170 -0.000 0.000 0.245 287 I C 0.365 176.299 176.117 -0.306 0.000 1.097 287 I CA 0.797 62.021 61.300 -0.127 0.000 1.363 287 I CB -0.087 37.874 38.000 -0.064 0.000 1.051 287 I HN 0.052 nan 8.210 nan 0.000 0.413 288 V N 4.085 123.768 119.914 -0.385 0.000 2.673 288 V HA 0.109 4.229 4.120 -0.000 0.000 0.303 288 V C -1.874 174.123 176.094 -0.161 0.000 1.046 288 V CA -1.139 60.895 62.300 -0.443 0.000 1.126 288 V CB -0.570 31.144 31.823 -0.182 0.000 0.934 288 V HN 0.288 nan 8.190 nan 0.000 0.487 289 P HA 0.248 nan 4.420 nan 0.000 0.274 289 P C -0.086 177.229 177.300 0.025 0.000 1.237 289 P CA -0.403 62.700 63.100 0.005 0.000 0.793 289 P CB 1.053 32.789 31.700 0.060 0.000 0.977 290 D N -0.671 119.745 120.400 0.026 0.000 2.144 290 D HA -0.092 4.548 4.640 -0.000 0.000 0.199 290 D C 0.929 177.259 176.300 0.049 0.000 0.984 290 D CA 1.523 55.543 54.000 0.034 0.000 0.834 290 D CB -0.213 40.602 40.800 0.025 0.000 0.955 290 D HN 0.342 nan 8.370 nan 0.000 0.465 291 S N -0.753 114.979 115.700 0.054 0.000 2.462 291 S HA 0.578 5.048 4.470 -0.000 0.000 0.294 291 S C 1.053 175.701 174.600 0.080 0.000 1.144 291 S CA -0.334 57.901 58.200 0.060 0.000 1.088 291 S CB 1.762 64.991 63.200 0.049 0.000 1.009 291 S HN 0.101 nan 8.310 nan 0.000 0.484 292 A N 4.757 127.629 122.820 0.086 0.000 1.972 292 A HA -0.110 4.210 4.320 -0.000 0.000 0.219 292 A C 1.976 179.623 177.584 0.105 0.000 1.169 292 A CA 1.742 53.845 52.037 0.110 0.000 0.635 292 A CB -1.094 17.975 19.000 0.114 0.000 0.810 292 A HN 0.978 nan 8.150 nan 0.000 0.446 293 N N -0.428 118.320 118.700 0.079 0.000 2.120 293 N HA -0.132 4.608 4.740 -0.000 0.000 0.188 293 N C 0.474 176.030 175.510 0.076 0.000 1.024 293 N CA 0.458 53.548 53.050 0.067 0.000 0.852 293 N CB -0.098 38.418 38.487 0.047 0.000 1.003 293 N HN 0.607 nan 8.380 nan 0.000 0.424 294 Q N 1.305 121.157 119.800 0.086 0.000 2.286 294 Q HA 0.099 4.439 4.340 -0.000 0.000 0.290 294 Q C -2.299 173.780 176.000 0.131 0.000 1.049 294 Q CA -1.111 54.748 55.803 0.094 0.000 0.923 294 Q CB 0.828 29.623 28.738 0.095 0.000 1.183 294 Q HN 0.127 nan 8.270 nan 0.000 0.383 295 P HA 0.060 nan 4.420 nan 0.000 0.274 295 P C -1.586 175.833 177.300 0.199 0.000 1.237 295 P CA -0.075 63.081 63.100 0.092 0.000 0.793 295 P CB 0.455 32.172 31.700 0.028 0.000 0.977 296 Y N -2.013 118.304 120.300 0.027 0.000 2.553 296 Y HA 0.542 5.092 4.550 -0.000 0.000 0.347 296 Y C -0.496 175.416 175.900 0.020 0.000 1.019 296 Y CA -1.750 56.367 58.100 0.029 0.000 1.032 296 Y CB 0.490 38.973 38.460 0.038 0.000 1.284 296 Y HN 0.146 nan 8.280 nan 0.000 0.466 297 D N 2.183 122.644 120.400 0.101 0.000 2.458 297 D HA -0.034 4.606 4.640 -0.000 0.000 0.243 297 D C 0.728 177.003 176.300 -0.042 0.000 1.146 297 D CA 0.271 54.297 54.000 0.044 0.000 0.877 297 D CB 1.279 42.156 40.800 0.128 0.000 1.176 297 D HN 0.872 nan 8.370 nan 0.000 0.461 298 M N 4.667 124.133 119.600 -0.224 0.000 2.132 298 M HA -0.149 4.331 4.480 -0.000 0.000 0.263 298 M C 1.713 177.866 176.300 -0.245 0.000 1.065 298 M CA 1.532 56.657 55.300 -0.292 0.000 1.122 298 M CB -0.295 32.048 32.600 -0.428 0.000 1.365 298 M HN 0.472 nan 8.290 nan 0.000 0.411 299 H N -0.652 118.330 119.070 -0.147 0.000 2.457 299 H HA -0.087 4.469 4.556 -0.000 0.000 0.297 299 H C 2.218 177.446 175.328 -0.167 0.000 1.092 299 H CA 1.726 57.680 56.048 -0.156 0.000 1.309 299 H CB -0.613 29.116 29.762 -0.054 0.000 1.382 299 H HN 0.588 nan 8.280 nan 0.000 0.535 300 S N 0.550 116.234 115.700 -0.026 0.000 2.355 300 S HA -0.099 4.371 4.470 -0.000 0.000 0.222 300 S C 2.367 176.783 174.600 -0.306 0.000 1.031 300 S CA 1.194 59.303 58.200 -0.152 0.000 0.993 300 S CB -0.885 62.244 63.200 -0.119 0.000 0.859 300 S HN 0.130 nan 8.310 nan 0.000 0.453 301 V N 2.577 122.363 119.914 -0.213 0.000 2.407 301 V HA -0.112 4.008 4.120 -0.000 0.000 0.248 301 V C 2.445 178.361 176.094 -0.297 0.000 1.055 301 V CA 1.750 63.944 62.300 -0.176 0.000 1.049 301 V CB -0.941 30.807 31.823 -0.124 0.000 0.662 301 V HN 0.511 nan 8.190 nan 0.000 0.455 302 I N -0.053 120.268 120.570 -0.415 0.000 2.286 302 I HA -0.240 3.930 4.170 -0.000 0.000 0.248 302 I C 2.500 178.496 176.117 -0.201 0.000 1.115 302 I CA 1.558 62.595 61.300 -0.439 0.000 1.392 302 I CB -0.449 37.192 38.000 -0.599 0.000 1.065 302 I HN 0.307 nan 8.210 nan 0.000 0.418 303 E N 0.088 120.210 120.200 -0.130 0.000 2.110 303 E HA -0.241 4.109 4.350 -0.000 0.000 0.193 303 E C 2.191 178.841 176.600 0.085 0.000 0.988 303 E CA 1.135 57.538 56.400 0.005 0.000 0.804 303 E CB 0.012 29.709 29.700 -0.006 0.000 0.745 303 E HN 0.447 nan 8.360 nan 0.000 0.458 304 H N -0.664 118.399 119.070 -0.011 0.000 2.293 304 H HA -0.120 4.436 4.556 -0.000 0.000 0.300 304 H C 2.331 177.678 175.328 0.031 0.000 1.082 304 H CA 1.671 57.729 56.048 0.017 0.000 1.308 304 H CB -0.720 29.055 29.762 0.021 0.000 1.375 304 H HN 0.227 nan 8.280 nan 0.000 0.495 305 V N 0.057 120.063 119.914 0.153 0.000 2.358 305 V HA -0.050 4.070 4.120 -0.000 0.000 0.246 305 V C 1.345 177.523 176.094 0.139 0.000 1.047 305 V CA 0.668 63.045 62.300 0.128 0.000 1.035 305 V CB -0.664 31.224 31.823 0.109 0.000 0.658 305 V HN 0.085 nan 8.190 nan 0.000 0.452 306 L N 1.756 123.058 121.223 0.133 0.000 2.461 306 L HA 0.199 4.539 4.340 -0.000 0.000 0.272 306 L C 0.065 177.028 176.870 0.156 0.000 1.197 306 L CA -0.159 54.784 54.840 0.172 0.000 0.836 306 L CB -0.090 42.100 42.059 0.219 0.000 1.105 306 L HN 0.321 nan 8.230 nan 0.000 0.477 307 D N 1.997 122.488 120.400 0.153 0.000 2.458 307 D HA 0.023 4.663 4.640 -0.000 0.000 0.243 307 D C 0.505 176.879 176.300 0.123 0.000 1.146 307 D CA 0.532 54.605 54.000 0.122 0.000 0.877 307 D CB 0.513 41.377 40.800 0.107 0.000 1.176 307 D HN 0.476 nan 8.370 nan 0.000 0.461 308 D N 1.605 122.067 120.400 0.102 0.000 2.911 308 D HA -0.258 4.382 4.640 -0.000 0.000 0.199 308 D C 0.549 176.916 176.300 0.112 0.000 1.041 308 D CA 1.146 55.202 54.000 0.093 0.000 1.013 308 D CB -1.132 39.719 40.800 0.084 0.000 1.093 308 D HN 0.676 nan 8.370 nan 0.000 0.431 309 A N 0.355 123.254 122.820 0.133 0.000 2.799 309 A HA -0.278 4.042 4.320 -0.000 0.000 0.287 309 A C 0.392 178.073 177.584 0.161 0.000 1.484 309 A CA 2.317 54.439 52.037 0.142 0.000 0.813 309 A CB -1.862 17.212 19.000 0.124 0.000 1.009 309 A HN 0.594 nan 8.150 nan 0.000 0.545 310 E N -0.730 119.582 120.200 0.188 0.000 2.134 310 E HA 0.637 4.987 4.350 -0.000 0.000 0.278 310 E C -0.680 176.128 176.600 0.346 0.000 0.959 310 E CA -0.799 55.736 56.400 0.225 0.000 0.783 310 E CB 0.524 30.334 29.700 0.184 0.000 1.095 310 E HN 0.798 nan 8.360 nan 0.000 0.399 311 F N 5.691 125.751 119.950 0.182 0.000 2.467 311 F HA 0.442 4.969 4.527 -0.000 0.000 0.336 311 F C -1.334 174.624 175.800 0.265 0.000 1.123 311 F CA -1.467 56.663 58.000 0.217 0.000 0.964 311 F CB 0.761 39.850 39.000 0.148 0.000 1.136 311 F HN 0.497 nan 8.300 nan 0.000 0.447 312 F N 4.692 124.283 119.950 -0.599 0.000 2.506 312 F HA 0.255 4.782 4.527 -0.000 0.000 0.351 312 F C 0.428 175.356 175.800 -1.454 0.000 1.136 312 F CA 0.318 57.866 58.000 -0.752 0.000 1.298 312 F CB 0.485 39.104 39.000 -0.635 0.000 1.145 312 F HN 0.427 nan 8.300 nan 0.000 0.593 313 E N 1.943 121.628 120.200 -0.858 0.000 2.210 313 E HA 0.261 4.611 4.350 -0.000 0.000 0.266 313 E C -0.934 175.553 176.600 -0.189 0.000 0.883 313 E CA -0.461 55.669 56.400 -0.450 0.000 0.761 313 E CB 1.855 31.485 29.700 -0.116 0.000 1.156 313 E HN 0.630 nan 8.360 nan 0.000 0.412 314 T N 0.530 115.070 114.554 -0.023 0.000 2.824 314 T HA 0.289 4.639 4.350 -0.000 0.000 0.282 314 T C -0.031 174.764 174.700 0.158 0.000 0.993 314 T CA -0.657 61.534 62.100 0.153 0.000 0.967 314 T CB 1.151 70.165 68.868 0.243 0.000 0.960 314 T HN 0.542 nan 8.240 nan 0.000 0.441 315 Q N 0.466 120.399 119.800 0.222 0.000 2.463 315 Q HA -0.131 4.209 4.340 -0.000 0.000 0.299 315 Q C -1.988 174.107 176.000 0.158 0.000 1.353 315 Q CA 0.313 56.225 55.803 0.182 0.000 0.828 315 Q CB -1.864 26.994 28.738 0.200 0.000 1.157 315 Q HN 0.588 nan 8.270 nan 0.000 0.436 316 P HA -0.174 nan 4.420 nan 0.000 0.216 316 P C 1.174 178.527 177.300 0.087 0.000 1.153 316 P CA 1.095 64.255 63.100 0.100 0.000 0.848 316 P CB 0.147 31.888 31.700 0.069 0.000 0.787 317 L N -2.551 118.719 121.223 0.080 0.000 2.017 317 L HA -0.056 4.284 4.340 -0.000 0.000 0.208 317 L C 1.434 178.368 176.870 0.107 0.000 1.073 317 L CA 0.993 55.877 54.840 0.072 0.000 0.745 317 L CB -1.600 40.490 42.059 0.052 0.000 0.894 317 L HN -0.086 nan 8.230 nan 0.000 0.432 318 F N 1.496 121.436 119.950 -0.015 0.000 2.572 318 F HA 0.336 4.863 4.527 -0.000 0.000 0.370 318 F C 1.140 176.913 175.800 -0.047 0.000 1.103 318 F CA -0.718 57.266 58.000 -0.027 0.000 1.286 318 F CB 0.094 39.077 39.000 -0.028 0.000 1.105 318 F HN 0.183 nan 8.300 nan 0.000 0.583 319 A N 5.913 128.342 122.820 -0.652 0.000 2.154 319 A HA -0.204 4.116 4.320 -0.000 0.000 0.274 319 A C -1.949 175.423 177.584 -0.354 0.000 1.373 319 A CA 0.409 52.041 52.037 -0.675 0.000 0.751 319 A CB -1.708 16.728 19.000 -0.940 0.000 1.149 319 A HN 0.682 nan 8.150 nan 0.000 0.337 320 P HA -0.195 nan 4.420 nan 0.000 0.217 320 P C 1.562 178.799 177.300 -0.105 0.000 1.150 320 P CA 1.463 64.508 63.100 -0.092 0.000 0.832 320 P CB -0.085 31.611 31.700 -0.005 0.000 0.787 321 N N 0.213 118.783 118.700 -0.216 0.000 2.104 321 N HA -0.164 4.576 4.740 -0.000 0.000 0.190 321 N C 0.735 176.144 175.510 -0.169 0.000 1.024 321 N CA 1.086 54.031 53.050 -0.175 0.000 0.853 321 N CB -1.378 36.968 38.487 -0.235 0.000 1.008 321 N HN 0.184 nan 8.380 nan 0.000 0.424 322 I N 0.641 121.104 120.570 -0.177 0.000 2.472 322 I HA 0.194 4.364 4.170 -0.000 0.000 0.290 322 I C -0.555 175.502 176.117 -0.099 0.000 1.016 322 I CA -0.625 60.597 61.300 -0.130 0.000 1.348 322 I CB 0.817 38.755 38.000 -0.104 0.000 1.417 322 I HN 0.038 nan 8.210 nan 0.000 0.521 323 L N 6.711 127.870 121.223 -0.106 0.000 2.356 323 L HA 0.546 4.886 4.340 -0.000 0.000 0.277 323 L C -0.553 176.280 176.870 -0.062 0.000 0.996 323 L CA -0.513 54.276 54.840 -0.085 0.000 0.822 323 L CB 1.904 43.830 42.059 -0.223 0.000 1.256 323 L HN 0.588 nan 8.230 nan 0.000 0.413 324 T N -0.708 113.824 114.554 -0.036 0.000 2.909 324 T HA 0.930 5.280 4.350 -0.000 0.000 0.299 324 T C -0.211 174.371 174.700 -0.198 0.000 1.073 324 T CA -0.520 61.394 62.100 -0.310 0.000 0.999 324 T CB 2.775 71.232 68.868 -0.685 0.000 1.098 324 T HN 0.989 nan 8.240 nan 0.000 0.477 325 G N 0.590 109.131 108.800 -0.432 0.000 2.359 325 G HA2 0.417 4.377 3.960 -0.000 0.000 0.293 325 G HA3 0.417 4.377 3.960 -0.000 0.000 0.293 325 G C -2.188 172.648 174.900 -0.106 0.000 1.300 325 G CA -1.076 43.920 45.100 -0.174 0.000 0.888 325 G HN 0.698 nan 8.290 nan 0.000 0.541 326 F N 0.304 120.282 119.950 0.047 0.000 2.520 326 F HA 0.770 5.297 4.527 -0.000 0.000 0.322 326 F C 0.855 176.844 175.800 0.316 0.000 1.103 326 F CA 0.211 58.233 58.000 0.035 0.000 0.926 326 F CB 2.599 41.283 39.000 -0.527 0.000 1.154 326 F HN 0.825 nan 8.300 nan 0.000 0.453 327 G N 1.611 110.815 108.800 0.674 0.000 2.730 327 G HA2 0.736 4.696 3.960 -0.000 0.000 0.289 327 G HA3 0.736 4.696 3.960 -0.000 0.000 0.289 327 G C -1.747 173.411 174.900 0.431 0.000 1.341 327 G CA -1.033 44.421 45.100 0.591 0.000 0.932 327 G HN 0.522 nan 8.290 nan 0.000 0.481 328 R N -0.227 120.448 120.500 0.291 0.000 2.476 328 R HA 0.530 4.870 4.340 -0.000 0.000 0.305 328 R C -1.294 175.101 176.300 0.159 0.000 0.965 328 R CA -0.494 55.717 56.100 0.185 0.000 0.867 328 R CB 2.226 32.583 30.300 0.094 0.000 1.176 328 R HN 0.304 nan 8.270 nan 0.000 0.447 329 V N 3.696 123.699 119.914 0.147 0.000 2.384 329 V HA 0.194 4.314 4.120 -0.000 0.000 0.287 329 V C 0.577 176.732 176.094 0.102 0.000 1.020 329 V CA -0.424 61.955 62.300 0.131 0.000 0.850 329 V CB 1.208 33.116 31.823 0.141 0.000 0.987 329 V HN 0.968 nan 8.190 nan 0.000 0.436 330 E N 3.248 123.503 120.200 0.090 0.000 3.916 330 E HA -0.277 4.073 4.350 -0.000 0.000 0.331 330 E C 1.208 177.854 176.600 0.077 0.000 0.729 330 E CA 0.887 57.332 56.400 0.075 0.000 1.222 330 E CB -1.281 28.460 29.700 0.069 0.000 1.633 330 E HN 1.536 nan 8.360 nan 0.000 0.437 331 G N 0.341 109.193 108.800 0.086 0.000 2.163 331 G HA2 -0.270 3.690 3.960 -0.000 0.000 0.213 331 G HA3 -0.270 3.690 3.960 -0.000 0.000 0.213 331 G C 0.019 174.967 174.900 0.080 0.000 0.991 331 G CA 0.142 45.299 45.100 0.094 0.000 0.653 331 G HN 0.110 nan 8.290 nan 0.000 0.518 332 R N 0.891 121.434 120.500 0.071 0.000 2.445 332 R HA 0.623 4.963 4.340 -0.000 0.000 0.308 332 R C -2.604 173.748 176.300 0.087 0.000 0.961 332 R CA -1.946 54.183 56.100 0.048 0.000 0.862 332 R CB 1.549 31.873 30.300 0.041 0.000 1.144 332 R HN 0.028 nan 8.270 nan 0.000 0.447 333 P HA 0.054 nan 4.420 nan 0.000 0.271 333 P C -1.177 176.271 177.300 0.246 0.000 1.216 333 P CA -0.236 62.963 63.100 0.165 0.000 0.776 333 P CB 0.851 32.604 31.700 0.088 0.000 0.881 334 V N -0.009 120.133 119.914 0.380 0.000 2.971 334 V HA 0.866 4.986 4.120 -0.000 0.000 0.309 334 V C 0.217 176.603 176.094 0.486 0.000 1.130 334 V CA -1.016 61.504 62.300 0.366 0.000 0.964 334 V CB 1.597 33.588 31.823 0.280 0.000 1.029 334 V HN 0.625 nan 8.190 nan 0.000 0.427 335 G N 2.127 111.112 108.800 0.308 0.000 2.599 335 G HA2 0.662 4.622 3.960 -0.000 0.000 0.264 335 G HA3 0.662 4.622 3.960 -0.000 0.000 0.264 335 G C -0.642 174.376 174.900 0.198 0.000 1.200 335 G CA -0.609 44.531 45.100 0.065 0.000 0.896 335 G HN 0.803 nan 8.290 nan 0.000 0.536 336 I N 0.554 121.271 120.570 0.245 0.000 2.563 336 I HA 0.209 4.379 4.170 -0.000 0.000 0.285 336 I C -0.813 175.398 176.117 0.156 0.000 1.123 336 I CA -0.551 60.877 61.300 0.212 0.000 1.059 336 I CB 1.479 39.566 38.000 0.145 0.000 1.229 336 I HN 0.076 nan 8.210 nan 0.000 0.442 337 V N 5.045 125.067 119.914 0.179 0.000 2.357 337 V HA 0.840 4.960 4.120 -0.000 0.000 0.284 337 V C 0.322 176.480 176.094 0.107 0.000 1.018 337 V CA -0.331 62.050 62.300 0.134 0.000 0.841 337 V CB 1.566 33.520 31.823 0.219 0.000 0.991 337 V HN 0.887 nan 8.190 nan 0.000 0.437 338 A N 4.537 127.365 122.820 0.013 0.000 2.475 338 A HA 0.758 5.077 4.320 -0.000 0.000 0.301 338 A C -0.495 177.024 177.584 -0.108 0.000 1.059 338 A CA -0.858 51.159 52.037 -0.035 0.000 0.710 338 A CB 1.249 20.178 19.000 -0.118 0.000 1.288 338 A HN 0.664 nan 8.150 nan 0.000 0.408 339 N N 1.216 119.842 118.700 -0.124 0.000 2.508 339 N HA 0.310 5.050 4.740 -0.000 0.000 0.264 339 N C -0.359 175.020 175.510 -0.219 0.000 1.216 339 N CA 0.178 53.132 53.050 -0.160 0.000 0.943 339 N CB 0.922 39.316 38.487 -0.156 0.000 1.113 339 N HN 0.686 nan 8.380 nan 0.000 0.447 340 Q N 2.171 121.848 119.800 -0.206 0.000 2.347 340 Q HA 0.397 4.737 4.340 -0.000 0.000 0.262 340 Q C -2.124 173.767 176.000 -0.182 0.000 0.980 340 Q CA -1.685 53.982 55.803 -0.227 0.000 0.867 340 Q CB 1.649 30.285 28.738 -0.171 0.000 1.242 340 Q HN 0.248 nan 8.270 nan 0.000 0.453 341 P HA -0.129 nan 4.420 nan 0.000 0.217 341 P C 0.988 178.228 177.300 -0.100 0.000 1.150 341 P CA 1.296 64.274 63.100 -0.203 0.000 0.832 341 P CB 0.161 31.631 31.700 -0.384 0.000 0.787 342 M N -1.423 118.120 119.600 -0.095 0.000 2.149 342 M HA -0.113 4.367 4.480 -0.000 0.000 0.261 342 M C 0.615 176.932 176.300 0.028 0.000 1.064 342 M CA 1.554 56.842 55.300 -0.020 0.000 1.102 342 M CB -0.819 31.787 32.600 0.010 0.000 1.369 342 M HN 0.048 nan 8.290 nan 0.000 0.408 343 Q N -0.621 119.214 119.800 0.058 0.000 2.347 343 Q HA 0.247 4.587 4.340 -0.000 0.000 0.262 343 Q C -0.553 175.631 176.000 0.306 0.000 0.980 343 Q CA -0.292 55.617 55.803 0.177 0.000 0.867 343 Q CB 1.500 30.350 28.738 0.186 0.000 1.242 343 Q HN 0.362 nan 8.270 nan 0.000 0.453 344 F N 0.899 120.822 119.950 -0.044 0.000 2.411 344 F HA -0.342 4.185 4.527 -0.000 0.000 0.393 344 F C 0.843 176.621 175.800 -0.036 0.000 0.576 344 F CA 1.023 58.998 58.000 -0.042 0.000 1.609 344 F CB -1.543 37.425 39.000 -0.054 0.000 2.186 344 F HN 0.721 nan 8.300 nan 0.000 0.274 345 A N -1.038 121.838 122.820 0.093 0.000 3.384 345 A HA 0.240 4.560 4.320 -0.000 0.000 0.260 345 A C 2.471 180.076 177.584 0.034 0.000 1.168 345 A CA 1.545 53.614 52.037 0.054 0.000 1.253 345 A CB -2.028 17.002 19.000 0.050 0.000 1.122 345 A HN 2.435 nan 8.150 nan 0.000 0.934 346 G N -1.380 107.445 108.800 0.042 0.000 2.258 346 G HA2 -0.103 3.857 3.960 -0.000 0.000 0.274 346 G HA3 -0.103 3.857 3.960 -0.000 0.000 0.274 346 G C 1.270 176.135 174.900 -0.057 0.000 1.021 346 G CA 1.298 46.374 45.100 -0.041 0.000 0.798 346 G HN 2.563 nan 8.290 nan 0.000 0.507 347 C N -0.889 118.403 119.300 -0.014 0.000 2.595 347 C HA 0.775 5.235 4.460 -0.000 0.000 0.384 347 C C 1.416 176.350 174.990 -0.093 0.000 1.289 347 C CA -1.770 57.213 59.018 -0.059 0.000 2.372 347 C CB 0.311 28.051 27.740 0.000 0.000 2.593 347 C HN 0.479 nan 8.230 nan 0.000 0.639 348 L N 2.913 124.041 121.223 -0.159 0.000 2.453 348 L HA 0.470 4.810 4.340 -0.000 0.000 0.261 348 L C 0.318 177.200 176.870 0.020 0.000 1.179 348 L CA 0.601 55.381 54.840 -0.100 0.000 0.813 348 L CB 0.500 42.483 42.059 -0.128 0.000 1.110 348 L HN 0.988 nan 8.230 nan 0.000 0.466 349 D N 0.330 120.748 120.400 0.030 0.000 2.692 349 D HA 0.182 4.822 4.640 -0.000 0.000 0.303 349 D C 0.535 176.861 176.300 0.043 0.000 1.278 349 D CA -0.690 53.346 54.000 0.061 0.000 0.852 349 D CB 0.620 41.425 40.800 0.007 0.000 1.375 349 D HN 0.303 nan 8.370 nan 0.000 0.453 350 I N 0.082 120.680 120.570 0.046 0.000 2.208 350 I HA -0.259 3.911 4.170 -0.000 0.000 0.245 350 I C 2.232 178.372 176.117 0.038 0.000 1.097 350 I CA 2.256 63.586 61.300 0.050 0.000 1.363 350 I CB -0.504 37.527 38.000 0.052 0.000 1.051 350 I HN 0.611 nan 8.210 nan 0.000 0.413 351 T N -0.352 114.189 114.554 -0.021 0.000 2.746 351 T HA -0.107 4.243 4.350 -0.000 0.000 0.267 351 T C 2.032 176.721 174.700 -0.017 0.000 1.039 351 T CA 1.034 63.110 62.100 -0.039 0.000 1.142 351 T CB -0.592 68.055 68.868 -0.368 0.000 0.866 351 T HN 0.381 nan 8.240 nan 0.000 0.444 352 A N 2.454 125.208 122.820 -0.109 0.000 1.898 352 A HA -0.048 4.272 4.320 -0.000 0.000 0.216 352 A C 2.732 180.345 177.584 0.048 0.000 1.181 352 A CA 2.176 54.180 52.037 -0.056 0.000 0.620 352 A CB -1.105 17.815 19.000 -0.132 0.000 0.819 352 A HN 0.695 nan 8.150 nan 0.000 0.442 353 S N -0.118 115.622 115.700 0.067 0.000 2.382 353 S HA -0.200 4.270 4.470 -0.000 0.000 0.228 353 S C 1.724 176.384 174.600 0.100 0.000 1.027 353 S CA 1.417 59.679 58.200 0.103 0.000 0.991 353 S CB -0.472 62.803 63.200 0.123 0.000 0.823 353 S HN 0.656 nan 8.310 nan 0.000 0.469 354 E N 1.524 121.784 120.200 0.100 0.000 2.051 354 E HA -0.166 4.184 4.350 -0.000 0.000 0.192 354 E C 2.228 178.905 176.600 0.127 0.000 0.991 354 E CA 1.258 57.718 56.400 0.101 0.000 0.799 354 E CB -0.154 29.613 29.700 0.111 0.000 0.748 354 E HN 0.620 nan 8.360 nan 0.000 0.449 355 K N 0.659 121.180 120.400 0.200 0.000 2.026 355 K HA -0.160 4.160 4.320 -0.000 0.000 0.208 355 K C 2.085 178.780 176.600 0.158 0.000 1.048 355 K CA 1.365 57.779 56.287 0.212 0.000 0.929 355 K CB -0.133 32.582 32.500 0.359 0.000 0.713 355 K HN 0.086 nan 8.250 nan 0.000 0.439 356 A N 1.127 124.028 122.820 0.136 0.000 1.898 356 A HA -0.021 4.299 4.320 -0.000 0.000 0.216 356 A C 2.368 180.041 177.584 0.149 0.000 1.181 356 A CA 1.745 53.876 52.037 0.156 0.000 0.620 356 A CB -0.734 18.351 19.000 0.140 0.000 0.819 356 A HN 0.506 nan 8.150 nan 0.000 0.442 357 A N -0.720 122.161 122.820 0.102 0.000 1.933 357 A HA -0.153 4.167 4.320 -0.000 0.000 0.218 357 A C 2.271 179.872 177.584 0.029 0.000 1.175 357 A CA 1.553 53.617 52.037 0.045 0.000 0.628 357 A CB -0.492 18.544 19.000 0.060 0.000 0.814 357 A HN 0.365 nan 8.150 nan 0.000 0.444 358 R N -1.367 119.169 120.500 0.060 0.000 2.073 358 R HA -0.137 4.203 4.340 -0.000 0.000 0.234 358 R C 1.914 178.260 176.300 0.077 0.000 1.134 358 R CA 1.805 57.933 56.100 0.047 0.000 0.952 358 R CB -0.878 29.452 30.300 0.050 0.000 0.850 358 R HN 0.571 nan 8.270 nan 0.000 0.433 359 F N 0.640 120.580 119.950 -0.017 0.000 2.146 359 F HA -0.156 4.371 4.527 -0.000 0.000 0.298 359 F C 2.263 178.062 175.800 -0.001 0.000 1.096 359 F CA 1.058 59.059 58.000 0.001 0.000 1.275 359 F CB -0.384 38.622 39.000 0.011 0.000 1.008 359 F HN -0.237 nan 8.300 nan 0.000 0.480 360 V N 1.342 121.230 119.914 -0.042 0.000 2.407 360 V HA -0.276 3.844 4.120 -0.000 0.000 0.248 360 V C 2.538 178.505 176.094 -0.212 0.000 1.055 360 V CA 2.020 64.183 62.300 -0.228 0.000 1.049 360 V CB -0.488 31.057 31.823 -0.464 0.000 0.662 360 V HN 0.293 nan 8.190 nan 0.000 0.455 361 R N -0.496 119.924 120.500 -0.133 0.000 2.081 361 R HA -0.127 4.213 4.340 -0.000 0.000 0.235 361 R C 2.231 178.482 176.300 -0.082 0.000 1.131 361 R CA 1.885 57.933 56.100 -0.087 0.000 0.960 361 R CB -1.070 29.203 30.300 -0.045 0.000 0.856 361 R HN 0.497 nan 8.270 nan 0.000 0.436 362 T N 0.858 115.365 114.554 -0.077 0.000 2.788 362 T HA -0.156 4.194 4.350 -0.000 0.000 0.268 362 T C 2.152 176.888 174.700 0.059 0.000 1.044 362 T CA 1.208 63.313 62.100 0.008 0.000 1.139 362 T CB -0.385 68.495 68.868 0.019 0.000 0.867 362 T HN 0.310 nan 8.240 nan 0.000 0.454 363 C N 1.415 120.624 119.300 -0.152 0.000 2.432 363 C HA -0.097 4.363 4.460 -0.000 0.000 0.277 363 C C 2.721 177.739 174.990 0.046 0.000 1.249 363 C CA 0.898 59.895 59.018 -0.035 0.000 1.725 363 C CB -0.920 26.694 27.740 -0.211 0.000 2.028 363 C HN 0.600 nan 8.230 nan 0.000 0.477 364 D N 0.374 120.750 120.400 -0.041 0.000 2.144 364 D HA -0.065 4.575 4.640 -0.000 0.000 0.200 364 D C 2.158 178.417 176.300 -0.068 0.000 0.978 364 D CA 1.500 55.475 54.000 -0.042 0.000 0.833 364 D CB -0.201 40.558 40.800 -0.067 0.000 0.961 364 D HN 0.415 nan 8.370 nan 0.000 0.470 365 A N -0.614 122.119 122.820 -0.146 0.000 1.940 365 A HA -0.120 4.200 4.320 -0.000 0.000 0.219 365 A C 1.678 179.026 177.584 -0.395 0.000 1.176 365 A CA 1.021 52.851 52.037 -0.344 0.000 0.631 365 A CB -0.815 17.837 19.000 -0.580 0.000 0.814 365 A HN 0.310 nan 8.150 nan 0.000 0.446 366 F N 0.226 120.171 119.950 -0.008 0.000 2.693 366 F HA 0.168 4.695 4.527 -0.000 0.000 0.303 366 F C 0.434 176.222 175.800 -0.019 0.000 1.097 366 F CA 0.021 58.010 58.000 -0.019 0.000 1.330 366 F CB -0.100 38.880 39.000 -0.034 0.000 1.067 366 F HN 0.366 nan 8.300 nan 0.000 0.565 367 N N -0.284 118.481 118.700 0.107 0.000 2.746 367 N HA -0.166 4.574 4.740 -0.000 0.000 0.250 367 N C -0.917 174.650 175.510 0.095 0.000 1.055 367 N CA 0.236 53.332 53.050 0.076 0.000 0.699 367 N CB -2.021 36.496 38.487 0.049 0.000 0.919 367 N HN 0.113 nan 8.380 nan 0.000 0.548 368 V N 0.779 120.770 119.914 0.128 0.000 2.357 368 V HA 0.361 4.481 4.120 -0.000 0.000 0.284 368 V C -1.916 174.270 176.094 0.153 0.000 1.018 368 V CA -1.478 60.925 62.300 0.172 0.000 0.841 368 V CB 1.877 33.877 31.823 0.295 0.000 0.991 368 V HN 0.005 nan 8.190 nan 0.000 0.437 369 P HA 0.135 nan 4.420 nan 0.000 0.268 369 P C -0.638 176.738 177.300 0.128 0.000 1.205 369 P CA 0.063 63.228 63.100 0.108 0.000 0.771 369 P CB 0.675 32.433 31.700 0.098 0.000 0.858 370 V N 5.037 125.013 119.914 0.102 0.000 2.370 370 V HA 0.272 4.392 4.120 -0.000 0.000 0.279 370 V C 0.201 176.346 176.094 0.085 0.000 1.029 370 V CA -0.390 61.979 62.300 0.116 0.000 0.870 370 V CB 0.738 32.635 31.823 0.123 0.000 0.984 370 V HN 0.307 nan 8.190 nan 0.000 0.451 371 L N 4.808 126.087 121.223 0.094 0.000 2.280 371 L HA 0.626 4.966 4.340 -0.000 0.000 0.287 371 L C 0.187 176.966 176.870 -0.152 0.000 1.023 371 L CA -0.167 54.641 54.840 -0.053 0.000 0.819 371 L CB 1.615 43.743 42.059 0.115 0.000 1.212 371 L HN 0.682 nan 8.230 nan 0.000 0.420 372 T N 2.266 116.571 114.554 -0.416 0.000 2.812 372 T HA 0.661 5.011 4.350 -0.000 0.000 0.282 372 T C -0.946 173.466 174.700 -0.481 0.000 0.990 372 T CA -0.261 61.692 62.100 -0.246 0.000 0.960 372 T CB 0.499 69.317 68.868 -0.083 0.000 0.948 372 T HN 0.228 nan 8.240 nan 0.000 0.438 373 F N 3.462 123.348 119.950 -0.107 0.000 2.507 373 F HA 0.606 5.133 4.527 -0.000 0.000 0.325 373 F C -0.209 175.472 175.800 -0.198 0.000 1.116 373 F CA -0.997 56.902 58.000 -0.168 0.000 0.930 373 F CB 2.342 41.231 39.000 -0.184 0.000 1.146 373 F HN 0.316 nan 8.300 nan 0.000 0.447 374 V N 2.347 122.213 119.914 -0.081 0.000 2.328 374 V HA 0.367 4.487 4.120 -0.000 0.000 0.278 374 V C -1.046 174.951 176.094 -0.162 0.000 1.021 374 V CA -0.453 61.767 62.300 -0.134 0.000 0.838 374 V CB 1.320 33.056 31.823 -0.144 0.000 0.999 374 V HN 0.662 nan 8.190 nan 0.000 0.447 375 D N 4.224 124.528 120.400 -0.160 0.000 2.402 375 D HA 0.414 5.053 4.640 -0.000 0.000 0.252 375 D C -1.327 174.874 176.300 -0.166 0.000 1.294 375 D CA -0.179 53.720 54.000 -0.168 0.000 0.948 375 D CB 1.886 42.587 40.800 -0.166 0.000 1.202 375 D HN 0.366 nan 8.370 nan 0.000 0.561 376 V N 5.572 125.372 119.914 -0.190 0.000 2.588 376 V HA 0.664 4.784 4.120 -0.000 0.000 0.304 376 V C -2.172 173.824 176.094 -0.164 0.000 1.042 376 V CA -2.093 60.096 62.300 -0.185 0.000 0.877 376 V CB 2.733 34.423 31.823 -0.223 0.000 0.996 376 V HN 0.401 nan 8.190 nan 0.000 0.425 377 P HA 0.400 nan 4.420 nan 0.000 0.272 377 P C 0.438 177.800 177.300 0.103 0.000 1.276 377 P CA 0.877 64.044 63.100 0.111 0.000 0.871 377 P CB 0.979 32.751 31.700 0.120 0.000 1.313 378 G N -0.121 108.630 108.800 -0.082 0.000 2.320 378 G HA2 0.190 4.150 3.960 -0.000 0.000 0.274 378 G HA3 0.190 4.150 3.960 -0.000 0.000 0.274 378 G C -1.925 172.766 174.900 -0.347 0.000 1.324 378 G CA -0.887 44.136 45.100 -0.128 0.000 0.957 378 G HN -0.065 nan 8.290 nan 0.000 0.481 379 F N 0.030 120.018 119.950 0.064 0.000 2.458 379 F HA 0.631 5.158 4.527 -0.000 0.000 0.336 379 F C 0.520 176.353 175.800 0.055 0.000 1.114 379 F CA -0.864 57.166 58.000 0.051 0.000 0.987 379 F CB 1.858 40.885 39.000 0.045 0.000 1.130 379 F HN 0.395 nan 8.300 nan 0.000 0.458 380 L N 5.835 127.186 121.223 0.214 0.000 2.601 380 L HA 0.140 4.480 4.340 -0.000 0.000 0.277 380 L C -2.198 174.758 176.870 0.143 0.000 1.219 380 L CA -1.466 53.469 54.840 0.159 0.000 0.915 380 L CB -0.588 41.569 42.059 0.163 0.000 1.160 380 L HN 0.338 nan 8.230 nan 0.000 0.494 381 P HA 0.581 nan 4.420 nan 0.000 0.274 381 P C -0.687 176.645 177.300 0.054 0.000 1.237 381 P CA -0.218 62.927 63.100 0.075 0.000 0.793 381 P CB 0.974 32.708 31.700 0.056 0.000 0.977 382 G N -0.684 108.137 108.800 0.035 0.000 2.435 382 G HA2 0.034 3.994 3.960 -0.000 0.000 0.603 382 G HA3 0.034 3.994 3.960 -0.000 0.000 0.603 382 G C 0.338 175.240 174.900 0.002 0.000 1.496 382 G CA -0.528 44.580 45.100 0.014 0.000 0.896 382 G HN 0.236 nan 8.290 nan 0.000 0.657 383 V N 1.246 121.135 119.914 -0.041 0.000 2.407 383 V HA -0.123 3.997 4.120 -0.000 0.000 0.248 383 V C 2.823 178.854 176.094 -0.105 0.000 1.055 383 V CA 2.614 64.848 62.300 -0.111 0.000 1.049 383 V CB -0.601 31.090 31.823 -0.221 0.000 0.662 383 V HN 0.941 nan 8.190 nan 0.000 0.455 384 D N -0.054 120.310 120.400 -0.061 0.000 2.149 384 D HA -0.251 4.389 4.640 -0.000 0.000 0.198 384 D C 1.962 178.287 176.300 0.042 0.000 0.990 384 D CA 1.277 55.267 54.000 -0.017 0.000 0.839 384 D CB -0.386 40.414 40.800 -0.000 0.000 0.948 384 D HN 0.403 nan 8.370 nan 0.000 0.460 385 Q N 0.306 120.133 119.800 0.045 0.000 2.084 385 Q HA -0.103 4.237 4.340 -0.000 0.000 0.202 385 Q C 2.144 178.190 176.000 0.077 0.000 0.978 385 Q CA 0.971 56.812 55.803 0.063 0.000 0.844 385 Q CB -0.151 28.628 28.738 0.067 0.000 0.898 385 Q HN 0.503 nan 8.270 nan 0.000 0.426 386 E N -0.044 120.216 120.200 0.101 0.000 2.047 386 E HA -0.149 4.201 4.350 -0.000 0.000 0.191 386 E C 1.991 178.698 176.600 0.179 0.000 0.987 386 E CA 0.979 57.460 56.400 0.136 0.000 0.799 386 E CB -0.201 29.597 29.700 0.164 0.000 0.752 386 E HN 0.473 nan 8.360 nan 0.000 0.449 387 H N 1.064 120.137 119.070 0.006 0.000 2.353 387 H HA -0.071 4.485 4.556 -0.000 0.000 0.300 387 H C 1.697 177.029 175.328 0.007 0.000 1.090 387 H CA 1.345 57.396 56.048 0.005 0.000 1.327 387 H CB -0.265 29.501 29.762 0.006 0.000 1.383 387 H HN 0.115 nan 8.280 nan 0.000 0.508 388 D N -0.282 120.203 120.400 0.142 0.000 2.144 388 D HA 0.032 4.672 4.640 -0.000 0.000 0.199 388 D C 0.773 177.106 176.300 0.054 0.000 0.984 388 D CA 1.575 55.623 54.000 0.081 0.000 0.834 388 D CB -0.162 40.679 40.800 0.068 0.000 0.955 388 D HN 0.518 nan 8.370 nan 0.000 0.465 389 G N 0.264 109.097 108.800 0.054 0.000 3.224 389 G HA2 -0.131 3.829 3.960 -0.000 0.000 0.684 389 G HA3 -0.131 3.829 3.960 -0.000 0.000 0.684 389 G C 0.143 175.057 174.900 0.023 0.000 1.180 389 G CA -0.135 44.980 45.100 0.026 0.000 1.099 389 G HN 0.178 nan 8.290 nan 0.000 0.476 390 I N 2.464 123.043 120.570 0.015 0.000 3.172 390 I HA 0.357 4.527 4.170 -0.000 0.000 0.278 390 I C 2.185 178.284 176.117 -0.029 0.000 1.174 390 I CA 0.483 61.786 61.300 0.005 0.000 1.445 390 I CB -0.099 37.905 38.000 0.007 0.000 1.175 390 I HN 0.559 nan 8.210 nan 0.000 0.447 391 I N 1.367 121.912 120.570 -0.043 0.000 2.202 391 I HA -0.272 3.898 4.170 -0.000 0.000 0.242 391 I C 2.704 178.798 176.117 -0.038 0.000 1.091 391 I CA 1.833 63.095 61.300 -0.062 0.000 1.368 391 I CB -0.357 37.610 38.000 -0.055 0.000 1.058 391 I HN 0.285 nan 8.210 nan 0.000 0.410 392 R N 1.010 121.496 120.500 -0.025 0.000 2.075 392 R HA -0.104 4.236 4.340 -0.000 0.000 0.232 392 R C 2.291 178.582 176.300 -0.015 0.000 1.126 392 R CA 1.202 57.291 56.100 -0.019 0.000 0.963 392 R CB -0.528 29.759 30.300 -0.022 0.000 0.858 392 R HN 0.194 nan 8.270 nan 0.000 0.435 393 R N 0.438 120.934 120.500 -0.005 0.000 2.066 393 R HA -0.006 4.334 4.340 -0.000 0.000 0.232 393 R C 2.627 178.944 176.300 0.029 0.000 1.131 393 R CA 1.566 57.671 56.100 0.009 0.000 0.955 393 R CB -0.688 29.626 30.300 0.023 0.000 0.851 393 R HN 0.516 nan 8.270 nan 0.000 0.432 394 G N 0.788 109.608 108.800 0.033 0.000 2.418 394 G HA2 -0.252 3.708 3.960 -0.000 0.000 0.217 394 G HA3 -0.252 3.708 3.960 -0.000 0.000 0.217 394 G C 1.529 176.473 174.900 0.074 0.000 1.158 394 G CA 0.714 45.855 45.100 0.068 0.000 0.771 394 G HN 0.412 nan 8.290 nan 0.000 0.545 395 A N 0.743 123.587 122.820 0.039 0.000 2.125 395 A HA 0.002 4.322 4.320 -0.000 0.000 0.219 395 A C 2.241 179.893 177.584 0.113 0.000 1.156 395 A CA 1.808 53.879 52.037 0.057 0.000 0.671 395 A CB -0.310 18.710 19.000 0.032 0.000 0.794 395 A HN 0.431 nan 8.150 nan 0.000 0.459 396 K N -0.419 120.030 120.400 0.083 0.000 2.103 396 K HA -0.059 4.261 4.320 -0.000 0.000 0.207 396 K C 1.754 178.455 176.600 0.168 0.000 1.048 396 K CA 1.212 57.549 56.287 0.084 0.000 0.930 396 K CB -0.342 32.157 32.500 -0.002 0.000 0.716 396 K HN 0.476 nan 8.250 nan 0.000 0.444 397 L N 1.079 122.400 121.223 0.164 0.000 2.046 397 L HA -0.178 4.162 4.340 -0.000 0.000 0.208 397 L C 2.273 179.309 176.870 0.277 0.000 1.077 397 L CA 1.118 56.086 54.840 0.214 0.000 0.747 397 L CB -0.256 41.950 42.059 0.246 0.000 0.896 397 L HN 0.224 nan 8.230 nan 0.000 0.432 398 I N -1.216 119.490 120.570 0.227 0.000 2.286 398 I HA -0.366 3.804 4.170 -0.000 0.000 0.248 398 I C 2.437 178.662 176.117 0.181 0.000 1.115 398 I CA 1.543 62.951 61.300 0.179 0.000 1.392 398 I CB -0.446 37.621 38.000 0.111 0.000 1.065 398 I HN 0.207 nan 8.210 nan 0.000 0.418 399 F N 1.740 121.724 119.950 0.057 0.000 2.134 399 F HA -0.225 4.302 4.527 -0.000 0.000 0.299 399 F C 2.594 178.404 175.800 0.016 0.000 1.097 399 F CA 1.552 59.569 58.000 0.029 0.000 1.264 399 F CB -0.053 38.954 39.000 0.012 0.000 1.001 399 F HN -0.005 nan 8.300 nan 0.000 0.479 400 A N -0.514 122.487 122.820 0.301 0.000 1.877 400 A HA -0.223 4.097 4.320 -0.000 0.000 0.216 400 A C 1.934 179.502 177.584 -0.028 0.000 1.186 400 A CA 1.766 53.867 52.037 0.106 0.000 0.620 400 A CB -1.467 17.501 19.000 -0.053 0.000 0.822 400 A HN 0.510 nan 8.150 nan 0.000 0.443 401 Y N -0.177 120.151 120.300 0.047 0.000 2.200 401 Y HA -0.029 4.521 4.550 -0.000 0.000 0.290 401 Y C 2.948 178.822 175.900 -0.042 0.000 1.137 401 Y CA 0.841 58.939 58.100 -0.003 0.000 1.163 401 Y CB -0.613 37.839 38.460 -0.013 0.000 0.988 401 Y HN 0.323 nan 8.280 nan 0.000 0.518 402 A N -0.091 122.778 122.820 0.081 0.000 1.902 402 A HA -0.259 4.061 4.320 -0.000 0.000 0.217 402 A C 2.184 179.735 177.584 -0.055 0.000 1.181 402 A CA 1.941 53.967 52.037 -0.018 0.000 0.623 402 A CB -0.740 18.205 19.000 -0.093 0.000 0.818 402 A HN 0.540 nan 8.150 nan 0.000 0.443 403 E N 0.140 120.282 120.200 -0.096 0.000 2.106 403 E HA 0.045 4.395 4.350 -0.000 0.000 0.192 403 E C 1.089 177.666 176.600 -0.039 0.000 0.984 403 E CA 0.448 56.794 56.400 -0.090 0.000 0.806 403 E CB -0.262 29.375 29.700 -0.104 0.000 0.750 403 E HN 0.583 nan 8.360 nan 0.000 0.458 404 A N 0.126 122.933 122.820 -0.022 0.000 2.520 404 A HA 0.031 4.351 4.320 -0.000 0.000 0.235 404 A C 0.720 178.298 177.584 -0.009 0.000 1.065 404 A CA 0.704 52.728 52.037 -0.022 0.000 0.764 404 A CB 0.499 19.478 19.000 -0.036 0.000 1.002 404 A HN 0.294 nan 8.150 nan 0.000 0.502 405 T N 0.663 115.210 114.554 -0.012 0.000 3.003 405 T HA 0.222 4.571 4.350 -0.000 0.000 0.261 405 T C 0.755 175.455 174.700 0.001 0.000 1.003 405 T CA 0.515 62.610 62.100 -0.008 0.000 0.917 405 T CB -0.425 68.434 68.868 -0.015 0.000 1.084 405 T HN 0.971 nan 8.240 nan 0.000 0.522 406 V N 0.473 120.392 119.914 0.007 0.000 3.133 406 V HA 0.497 4.617 4.120 -0.000 0.000 0.305 406 V C -2.884 173.227 176.094 0.029 0.000 1.084 406 V CA -2.493 59.820 62.300 0.021 0.000 1.089 406 V CB 0.174 32.016 31.823 0.031 0.000 1.073 406 V HN -0.099 nan 8.190 nan 0.000 0.477 407 P HA 0.356 nan 4.420 nan 0.000 0.268 407 P C -1.068 176.255 177.300 0.039 0.000 1.204 407 P CA 0.070 63.188 63.100 0.032 0.000 0.768 407 P CB 0.354 32.076 31.700 0.036 0.000 0.842 408 L N 5.081 126.319 121.223 0.025 0.000 2.349 408 L HA 0.475 4.815 4.340 -0.000 0.000 0.278 408 L C -0.236 176.621 176.870 -0.021 0.000 0.996 408 L CA -0.034 54.819 54.840 0.021 0.000 0.825 408 L CB 1.040 43.120 42.059 0.035 0.000 1.243 408 L HN 0.287 nan 8.230 nan 0.000 0.412 409 I N 2.051 122.591 120.570 -0.050 0.000 2.466 409 I HA 0.460 4.630 4.170 -0.000 0.000 0.289 409 I C -0.388 175.593 176.117 -0.227 0.000 1.026 409 I CA -0.374 60.866 61.300 -0.100 0.000 1.078 409 I CB 2.113 40.078 38.000 -0.059 0.000 1.249 409 I HN 0.411 nan 8.210 nan 0.000 0.429 410 T N 5.464 119.878 114.554 -0.234 0.000 2.809 410 T HA 0.464 4.814 4.350 -0.000 0.000 0.284 410 T C -0.354 174.166 174.700 -0.300 0.000 0.992 410 T CA -0.418 61.484 62.100 -0.330 0.000 0.957 410 T CB 1.897 70.613 68.868 -0.255 0.000 0.942 410 T HN 0.221 nan 8.240 nan 0.000 0.439 411 V N 5.300 124.938 119.914 -0.460 0.000 2.357 411 V HA 0.427 4.547 4.120 -0.000 0.000 0.284 411 V C 0.412 176.376 176.094 -0.217 0.000 1.018 411 V CA -0.935 61.224 62.300 -0.234 0.000 0.841 411 V CB 1.146 32.969 31.823 -0.000 0.000 0.991 411 V HN 0.839 nan 8.190 nan 0.000 0.437 412 I N 4.802 125.251 120.570 -0.202 0.000 2.683 412 I HA 0.093 4.263 4.170 -0.000 0.000 0.286 412 I C 1.393 177.178 176.117 -0.555 0.000 1.175 412 I CA 0.779 61.925 61.300 -0.257 0.000 1.429 412 I CB 1.295 39.194 38.000 -0.169 0.000 1.371 412 I HN 0.906 nan 8.210 nan 0.000 0.569 413 T N 2.458 116.664 114.554 -0.579 0.000 3.009 413 T HA 0.329 4.679 4.350 -0.000 0.000 0.267 413 T C 0.588 175.134 174.700 -0.257 0.000 0.942 413 T CA -0.401 61.165 62.100 -0.890 0.000 0.883 413 T CB 0.492 68.735 68.868 -1.042 0.000 1.192 413 T HN 0.405 nan 8.240 nan 0.000 0.524 414 R N 1.277 121.678 120.500 -0.165 0.000 2.817 414 R HA 0.465 4.805 4.340 -0.000 0.000 0.268 414 R C -0.849 175.343 176.300 -0.180 0.000 1.027 414 R CA -0.891 55.167 56.100 -0.071 0.000 0.928 414 R CB 0.933 31.204 30.300 -0.048 0.000 1.228 414 R HN 0.183 nan 8.270 nan 0.000 0.469 415 K N 0.846 121.134 120.400 -0.188 0.000 2.579 415 K HA 0.013 4.333 4.320 -0.000 0.000 0.277 415 K C -0.117 176.061 176.600 -0.704 0.000 0.985 415 K CA 0.559 56.510 56.287 -0.560 0.000 1.088 415 K CB -0.081 32.265 32.500 -0.255 0.000 0.836 415 K HN 0.641 nan 8.250 nan 0.000 0.487 416 A N 4.024 126.210 122.820 -1.056 0.000 3.082 416 A HA 0.494 4.814 4.320 -0.000 0.000 0.328 416 A C -1.277 176.009 177.584 -0.495 0.000 1.089 416 A CA -0.839 50.845 52.037 -0.587 0.000 0.802 416 A CB -0.016 18.814 19.000 -0.283 0.000 1.138 416 A HN 0.451 nan 8.150 nan 0.000 0.474 417 F N 0.888 120.854 119.950 0.027 0.000 2.469 417 F HA 0.742 5.269 4.527 -0.000 0.000 0.332 417 F C 1.071 176.919 175.800 0.081 0.000 1.103 417 F CA -0.042 57.988 58.000 0.051 0.000 0.979 417 F CB 1.507 40.529 39.000 0.037 0.000 1.137 417 F HN 0.979 nan 8.300 nan 0.000 0.463 418 G N 1.565 110.555 108.800 0.316 0.000 2.645 418 G HA2 -0.089 3.871 3.960 -0.000 0.000 0.239 418 G HA3 -0.089 3.871 3.960 -0.000 0.000 0.239 418 G C 1.021 176.100 174.900 0.298 0.000 1.331 418 G CA -0.230 45.033 45.100 0.273 0.000 0.890 418 G HN 1.245 nan 8.290 nan 0.000 0.572 419 G N -0.323 108.701 108.800 0.374 0.000 2.448 419 G HA2 0.247 4.207 3.960 -0.000 0.000 0.219 419 G HA3 0.247 4.207 3.960 -0.000 0.000 0.219 419 G C 2.120 177.228 174.900 0.347 0.000 1.127 419 G CA 2.671 47.990 45.100 0.366 0.000 0.766 419 G HN 2.003 nan 8.290 nan 0.000 0.552 420 A N 0.251 123.206 122.820 0.227 0.000 2.024 420 A HA -0.103 4.217 4.320 -0.000 0.000 0.220 420 A C 2.088 179.676 177.584 0.007 0.000 1.164 420 A CA 1.737 53.698 52.037 -0.127 0.000 0.643 420 A CB -0.587 18.110 19.000 -0.506 0.000 0.806 420 A HN 0.597 nan 8.150 nan 0.000 0.451 421 Y N 0.730 121.015 120.300 -0.025 0.000 2.128 421 Y HA -0.111 4.439 4.550 -0.000 0.000 0.284 421 Y C 2.475 178.356 175.900 -0.031 0.000 1.154 421 Y CA 1.201 59.270 58.100 -0.051 0.000 1.149 421 Y CB -0.897 37.559 38.460 -0.005 0.000 0.976 421 Y HN 0.276 nan 8.280 nan 0.000 0.505 422 A N -0.045 122.547 122.820 -0.379 0.000 1.873 422 A HA -0.106 4.214 4.320 -0.000 0.000 0.215 422 A C 2.369 179.804 177.584 -0.249 0.000 1.186 422 A CA 2.085 53.864 52.037 -0.430 0.000 0.616 422 A CB -1.323 17.558 19.000 -0.199 0.000 0.823 422 A HN 0.354 nan 8.150 nan 0.000 0.442 423 V N 0.168 120.034 119.914 -0.080 0.000 2.407 423 V HA -0.172 3.948 4.120 -0.000 0.000 0.248 423 V C 1.354 177.371 176.094 -0.128 0.000 1.055 423 V CA 1.156 63.453 62.300 -0.005 0.000 1.049 423 V CB -0.684 31.240 31.823 0.169 0.000 0.662 423 V HN 0.494 nan 8.190 nan 0.000 0.455 424 M N 0.956 120.438 119.600 -0.198 0.000 3.596 424 M HA 0.287 4.767 4.480 -0.000 0.000 0.219 424 M C 1.274 177.259 176.300 -0.525 0.000 1.471 424 M CA 0.419 55.543 55.300 -0.293 0.000 1.644 424 M CB -1.052 31.438 32.600 -0.184 0.000 1.083 424 M HN 0.464 nan 8.290 nan 0.000 0.579 425 G N 1.846 110.065 108.800 -0.969 0.000 2.305 425 G HA2 -0.243 3.717 3.960 -0.000 0.000 0.287 425 G HA3 -0.243 3.717 3.960 -0.000 0.000 0.287 425 G C 0.414 174.998 174.900 -0.527 0.000 1.036 425 G CA 0.594 45.038 45.100 -1.094 0.000 0.887 425 G HN 0.740 nan 8.290 nan 0.000 0.505 426 S N -1.398 114.026 115.700 -0.461 0.000 2.600 426 S HA 0.447 4.917 4.470 -0.000 0.000 0.265 426 S C 1.474 175.860 174.600 -0.357 0.000 1.325 426 S CA 0.449 58.390 58.200 -0.432 0.000 1.002 426 S CB 1.601 64.395 63.200 -0.676 0.000 0.921 426 S HN 0.431 nan 8.310 nan 0.000 0.554 427 K N -0.078 120.082 120.400 -0.400 0.000 2.103 427 K HA -0.153 4.167 4.320 -0.000 0.000 0.207 427 K C 1.872 178.315 176.600 -0.262 0.000 1.048 427 K CA 1.567 57.672 56.287 -0.303 0.000 0.930 427 K CB -0.305 32.013 32.500 -0.303 0.000 0.716 427 K HN 0.698 nan 8.250 nan 0.000 0.444 428 H N -0.015 118.923 119.070 -0.219 0.000 2.387 428 H HA -0.113 4.443 4.556 -0.000 0.000 0.299 428 H C 1.838 177.072 175.328 -0.156 0.000 1.090 428 H CA 0.937 56.859 56.048 -0.211 0.000 1.332 428 H CB -0.062 29.521 29.762 -0.299 0.000 1.386 428 H HN 0.118 nan 8.280 nan 0.000 0.516 429 L N -0.221 120.967 121.223 -0.058 0.000 2.187 429 L HA -0.064 4.276 4.340 -0.000 0.000 0.213 429 L C 1.776 178.624 176.870 -0.036 0.000 1.100 429 L CA 1.862 56.675 54.840 -0.045 0.000 0.765 429 L CB -1.052 40.981 42.059 -0.044 0.000 0.904 429 L HN 0.609 nan 8.230 nan 0.000 0.437 430 G N -2.495 106.274 108.800 -0.051 0.000 2.183 430 G HA2 -0.107 3.853 3.960 -0.000 0.000 0.168 430 G HA3 -0.107 3.853 3.960 -0.000 0.000 0.168 430 G C 0.504 175.379 174.900 -0.042 0.000 1.008 430 G CA -0.027 45.050 45.100 -0.039 0.000 0.677 430 G HN 0.630 nan 8.290 nan 0.000 0.498 431 A N 0.500 123.278 122.820 -0.069 0.000 2.511 431 A HA 0.485 4.805 4.320 -0.000 0.000 0.242 431 A C 1.318 178.869 177.584 -0.055 0.000 1.069 431 A CA 1.050 53.051 52.037 -0.060 0.000 0.763 431 A CB 0.273 19.209 19.000 -0.107 0.000 1.001 431 A HN 0.189 nan 8.150 nan 0.000 0.498 432 D N 0.602 120.982 120.400 -0.034 0.000 2.117 432 D HA 0.018 4.658 4.640 -0.000 0.000 0.197 432 D C 0.068 176.348 176.300 -0.034 0.000 0.987 432 D CA 1.544 55.528 54.000 -0.027 0.000 0.829 432 D CB -0.222 40.569 40.800 -0.016 0.000 0.961 432 D HN 0.357 nan 8.370 nan 0.000 0.460 433 L N -0.350 120.847 121.223 -0.043 0.000 2.388 433 L HA 0.437 4.777 4.340 -0.000 0.000 0.264 433 L C -0.779 176.056 176.870 -0.058 0.000 0.998 433 L CA -0.634 54.181 54.840 -0.043 0.000 0.817 433 L CB 1.933 43.969 42.059 -0.037 0.000 1.338 433 L HN -0.303 nan 8.230 nan 0.000 0.414 434 N N 1.358 120.033 118.700 -0.042 0.000 2.336 434 N HA 0.805 5.545 4.740 -0.000 0.000 0.290 434 N C -1.787 173.720 175.510 -0.005 0.000 1.058 434 N CA -0.438 52.583 53.050 -0.048 0.000 0.865 434 N CB 1.946 40.400 38.487 -0.055 0.000 1.581 434 N HN 0.236 nan 8.380 nan 0.000 0.480 435 L N 1.287 122.510 121.223 -0.001 0.000 2.370 435 L HA 0.946 5.286 4.340 -0.000 0.000 0.266 435 L C -0.489 176.399 176.870 0.030 0.000 1.002 435 L CA -1.251 53.626 54.840 0.061 0.000 0.818 435 L CB 1.488 43.642 42.059 0.160 0.000 1.325 435 L HN 0.628 nan 8.230 nan 0.000 0.418 436 A N 0.566 123.419 122.820 0.054 0.000 2.414 436 A HA 0.797 5.117 4.320 -0.000 0.000 0.306 436 A C -1.566 176.132 177.584 0.189 0.000 1.054 436 A CA -0.523 51.535 52.037 0.035 0.000 0.724 436 A CB 0.861 19.829 19.000 -0.052 0.000 1.267 436 A HN 0.491 nan 8.150 nan 0.000 0.418 437 W N 1.581 122.849 121.300 -0.054 0.000 2.129 437 W HA 0.424 5.084 4.660 -0.000 0.000 0.349 437 W C -1.878 174.597 176.519 -0.073 0.000 1.279 437 W CA -1.605 55.711 57.345 -0.048 0.000 1.306 437 W CB -0.286 29.166 29.460 -0.013 0.000 1.140 437 W HN 0.491 nan 8.180 nan 0.000 0.613 438 P HA -0.183 nan 4.420 nan 0.000 0.215 438 P C 1.675 179.068 177.300 0.155 0.000 1.153 438 P CA 3.216 66.390 63.100 0.123 0.000 0.853 438 P CB -0.125 31.639 31.700 0.107 0.000 0.788 439 T N -2.538 112.140 114.554 0.207 0.000 2.833 439 T HA -0.020 4.330 4.350 -0.000 0.000 0.269 439 T C 1.089 175.875 174.700 0.144 0.000 1.054 439 T CA 0.619 62.828 62.100 0.181 0.000 1.135 439 T CB -1.218 67.784 68.868 0.224 0.000 0.869 439 T HN 0.089 nan 8.240 nan 0.000 0.466 440 A N 2.380 125.271 122.820 0.119 0.000 2.524 440 A HA 0.338 4.658 4.320 -0.000 0.000 0.250 440 A C 0.190 177.781 177.584 0.012 0.000 1.078 440 A CA -0.481 51.566 52.037 0.017 0.000 0.761 440 A CB -0.145 18.831 19.000 -0.041 0.000 1.012 440 A HN 0.702 nan 8.150 nan 0.000 0.500 441 Q N 2.537 122.328 119.800 -0.015 0.000 2.340 441 Q HA 0.581 4.921 4.340 -0.000 0.000 0.259 441 Q C -0.835 175.097 176.000 -0.115 0.000 0.964 441 Q CA -0.189 55.676 55.803 0.103 0.000 0.900 441 Q CB 1.559 30.580 28.738 0.471 0.000 1.228 441 Q HN 0.670 nan 8.270 nan 0.000 0.449 442 I N 1.076 121.636 120.570 -0.018 0.000 2.378 442 I HA 0.847 5.017 4.170 -0.000 0.000 0.291 442 I C -0.408 175.799 176.117 0.150 0.000 0.992 442 I CA -0.897 60.345 61.300 -0.097 0.000 1.154 442 I CB 1.374 39.181 38.000 -0.321 0.000 1.315 442 I HN 0.687 nan 8.210 nan 0.000 0.448 443 A N 4.600 127.617 122.820 0.327 0.000 2.612 443 A HA 0.568 4.888 4.320 -0.000 0.000 0.293 443 A C 0.492 178.264 177.584 0.313 0.000 1.075 443 A CA -0.557 51.694 52.037 0.357 0.000 0.680 443 A CB 1.269 20.525 19.000 0.427 0.000 1.279 443 A HN 0.534 nan 8.150 nan 0.000 0.411 444 V N -0.901 119.159 119.914 0.244 0.000 2.407 444 V HA 0.030 4.150 4.120 -0.000 0.000 0.248 444 V C 0.905 177.104 176.094 0.176 0.000 1.055 444 V CA 2.292 64.709 62.300 0.195 0.000 1.049 444 V CB -1.761 30.154 31.823 0.152 0.000 0.662 444 V HN 1.042 nan 8.190 nan 0.000 0.455 445 M N -1.232 118.441 119.600 0.120 0.000 2.880 445 M HA 0.728 5.208 4.480 -0.000 0.000 0.269 445 M C -0.019 176.166 176.300 -0.192 0.000 1.248 445 M CA -0.374 54.935 55.300 0.014 0.000 0.821 445 M CB 1.387 33.968 32.600 -0.032 0.000 1.650 445 M HN 0.021 nan 8.290 nan 0.000 0.479 446 G N 0.282 108.919 108.800 -0.273 0.000 2.353 446 G HA2 0.402 4.362 3.960 -0.000 0.000 0.239 446 G HA3 0.402 4.362 3.960 -0.000 0.000 0.239 446 G C 0.799 175.484 174.900 -0.358 0.000 1.295 446 G CA 0.076 44.932 45.100 -0.407 0.000 0.884 446 G HN 0.989 nan 8.290 nan 0.000 0.537 447 A N 1.697 124.297 122.820 -0.368 0.000 1.978 447 A HA -0.117 4.203 4.320 -0.000 0.000 0.220 447 A C 2.269 179.688 177.584 -0.274 0.000 1.170 447 A CA 1.821 53.631 52.037 -0.377 0.000 0.636 447 A CB -0.334 18.596 19.000 -0.117 0.000 0.810 447 A HN 0.643 nan 8.150 nan 0.000 0.448 448 Q N -0.485 119.202 119.800 -0.189 0.000 2.020 448 Q HA -0.150 4.190 4.340 -0.000 0.000 0.202 448 Q C 2.220 178.148 176.000 -0.119 0.000 0.982 448 Q CA 1.959 57.690 55.803 -0.121 0.000 0.838 448 Q CB -0.706 27.979 28.738 -0.089 0.000 0.899 448 Q HN 0.599 nan 8.270 nan 0.000 0.423 449 G N 0.181 108.901 108.800 -0.132 0.000 2.422 449 G HA2 -0.155 3.805 3.960 -0.000 0.000 0.218 449 G HA3 -0.155 3.805 3.960 -0.000 0.000 0.218 449 G C 1.514 176.321 174.900 -0.156 0.000 1.140 449 G CA 1.068 46.099 45.100 -0.115 0.000 0.775 449 G HN 0.479 nan 8.290 nan 0.000 0.545 450 A N 0.756 123.420 122.820 -0.259 0.000 1.877 450 A HA 0.001 4.321 4.320 -0.000 0.000 0.216 450 A C 2.731 180.128 177.584 -0.313 0.000 1.186 450 A CA 2.696 54.510 52.037 -0.373 0.000 0.620 450 A CB -0.912 17.617 19.000 -0.785 0.000 0.822 450 A HN 0.840 nan 8.150 nan 0.000 0.443 451 V N -0.873 118.889 119.914 -0.253 0.000 2.295 451 V HA -0.311 3.809 4.120 -0.000 0.000 0.246 451 V C 1.796 177.851 176.094 -0.065 0.000 1.049 451 V CA 2.304 64.549 62.300 -0.093 0.000 1.024 451 V CB -1.644 30.212 31.823 0.056 0.000 0.648 451 V HN 0.624 nan 8.190 nan 0.000 0.447 452 N N 0.832 119.498 118.700 -0.057 0.000 2.120 452 N HA -0.065 4.675 4.740 -0.000 0.000 0.188 452 N C 1.974 177.462 175.510 -0.036 0.000 1.024 452 N CA 1.741 54.779 53.050 -0.020 0.000 0.852 452 N CB -0.318 38.153 38.487 -0.027 0.000 1.003 452 N HN 0.469 nan 8.380 nan 0.000 0.424 453 I N 1.185 121.712 120.570 -0.071 0.000 2.179 453 I HA -0.243 3.926 4.170 -0.000 0.000 0.242 453 I C 2.194 178.254 176.117 -0.096 0.000 1.088 453 I CA 1.089 62.347 61.300 -0.070 0.000 1.357 453 I CB -0.164 37.793 38.000 -0.071 0.000 1.051 453 I HN 0.157 nan 8.210 nan 0.000 0.409 454 L N -0.213 120.902 121.223 -0.180 0.000 2.056 454 L HA -0.185 4.155 4.340 -0.000 0.000 0.207 454 L C 1.861 178.560 176.870 -0.284 0.000 1.078 454 L CA 1.127 55.800 54.840 -0.277 0.000 0.749 454 L CB -0.474 41.330 42.059 -0.424 0.000 0.901 454 L HN 0.382 nan 8.230 nan 0.000 0.433 455 H N -0.654 118.421 119.070 0.009 0.000 2.519 455 H HA 0.084 4.640 4.556 -0.000 0.000 0.289 455 H C 1.698 177.028 175.328 0.003 0.000 1.040 455 H CA -0.053 56.001 56.048 0.010 0.000 1.165 455 H CB -0.049 29.720 29.762 0.012 0.000 1.462 455 H HN 0.376 nan 8.280 nan 0.000 0.555 456 R N 2.208 122.745 120.500 0.061 0.000 2.091 456 R HA -0.152 4.188 4.340 -0.000 0.000 0.238 456 R C 1.819 178.147 176.300 0.047 0.000 1.136 456 R CA 1.449 57.575 56.100 0.042 0.000 0.959 456 R CB -0.111 30.196 30.300 0.011 0.000 0.856 456 R HN 0.320 nan 8.270 nan 0.000 0.437 457 R N -0.039 120.488 120.500 0.045 0.000 2.096 457 R HA -0.017 4.323 4.340 -0.000 0.000 0.235 457 R C 1.905 178.231 176.300 0.043 0.000 1.127 457 R CA 1.744 57.866 56.100 0.037 0.000 0.968 457 R CB -0.937 29.383 30.300 0.032 0.000 0.861 457 R HN 0.105 nan 8.270 nan 0.000 0.440 458 T N 1.241 115.835 114.554 0.067 0.000 2.977 458 T HA 0.044 4.394 4.350 -0.000 0.000 0.271 458 T C 1.671 176.388 174.700 0.028 0.000 1.105 458 T CA 0.855 62.985 62.100 0.050 0.000 1.116 458 T CB -0.019 68.885 68.868 0.061 0.000 0.878 458 T HN 0.219 nan 8.240 nan 0.000 0.509 459 I N 0.250 120.842 120.570 0.036 0.000 3.265 459 I HA 0.150 4.320 4.170 -0.000 0.000 0.282 459 I C 2.717 178.843 176.117 0.015 0.000 1.207 459 I CA 0.392 61.707 61.300 0.024 0.000 1.449 459 I CB -0.646 37.375 38.000 0.035 0.000 1.121 459 I HN 0.142 nan 8.210 nan 0.000 0.442 460 A N 1.184 124.014 122.820 0.016 0.000 1.930 460 A HA -0.203 4.117 4.320 -0.000 0.000 0.217 460 A C 1.828 179.417 177.584 0.008 0.000 1.175 460 A CA 1.808 53.851 52.037 0.011 0.000 0.627 460 A CB -0.444 18.563 19.000 0.011 0.000 0.815 460 A HN 0.306 nan 8.150 nan 0.000 0.443 461 D N 0.574 120.979 120.400 0.008 0.000 2.097 461 D HA 0.058 4.698 4.640 -0.000 0.000 0.195 461 D C 1.194 177.496 176.300 0.003 0.000 0.989 461 D CA 1.395 55.398 54.000 0.006 0.000 0.827 461 D CB -0.542 40.262 40.800 0.006 0.000 0.966 461 D HN 0.447 nan 8.370 nan 0.000 0.456 462 A N -0.039 122.782 122.820 0.002 0.000 2.354 462 A HA 0.528 4.848 4.320 -0.000 0.000 0.269 462 A C 1.578 179.162 177.584 0.000 0.000 1.109 462 A CA 0.135 52.172 52.037 0.000 0.000 0.800 462 A CB 0.931 19.930 19.000 -0.002 0.000 1.045 462 A HN 0.180 nan 8.150 nan 0.000 0.489 463 G N 0.947 109.747 108.800 0.000 0.000 2.403 463 G HA2 0.066 4.026 3.960 -0.000 0.000 0.216 463 G HA3 0.066 4.026 3.960 -0.000 0.000 0.216 463 G C 0.172 175.072 174.900 -0.001 0.000 1.154 463 G CA 1.024 46.124 45.100 0.000 0.000 0.784 463 G HN 0.841 nan 8.290 nan 0.000 0.538 464 D N -0.796 119.603 120.400 -0.001 0.000 2.490 464 D HA 0.398 5.038 4.640 -0.000 0.000 0.232 464 D C -0.513 175.785 176.300 -0.003 0.000 1.053 464 D CA -0.620 53.378 54.000 -0.002 0.000 0.914 464 D CB 1.700 42.499 40.800 -0.002 0.000 1.431 464 D HN -0.043 nan 8.370 nan 0.000 0.483 465 D N -0.903 119.494 120.400 -0.004 0.000 2.876 465 D HA -0.189 4.451 4.640 -0.000 0.000 0.196 465 D C 1.291 177.586 176.300 -0.007 0.000 1.014 465 D CA 1.444 55.441 54.000 -0.006 0.000 1.012 465 D CB -1.289 39.507 40.800 -0.006 0.000 1.080 465 D HN 0.513 nan 8.370 nan 0.000 0.438 466 A N 0.285 123.103 122.820 -0.005 0.000 1.854 466 A HA -0.105 4.215 4.320 -0.000 0.000 0.214 466 A C 2.077 179.659 177.584 -0.003 0.000 1.192 466 A CA 2.132 54.167 52.037 -0.004 0.000 0.611 466 A CB -0.272 18.728 19.000 -0.001 0.000 0.832 466 A HN 0.179 nan 8.150 nan 0.000 0.442 467 E N 0.254 120.452 120.200 -0.003 0.000 2.072 467 E HA -0.021 4.329 4.350 -0.000 0.000 0.191 467 E C 2.068 178.666 176.600 -0.004 0.000 0.985 467 E CA 1.492 57.891 56.400 -0.003 0.000 0.801 467 E CB -0.520 29.179 29.700 -0.002 0.000 0.750 467 E HN 0.438 nan 8.360 nan 0.000 0.452 468 A N -0.431 122.386 122.820 -0.005 0.000 1.902 468 A HA -0.179 4.141 4.320 -0.000 0.000 0.217 468 A C 2.457 180.036 177.584 -0.008 0.000 1.181 468 A CA 2.115 54.149 52.037 -0.006 0.000 0.623 468 A CB -1.092 17.904 19.000 -0.006 0.000 0.818 468 A HN 0.344 nan 8.150 nan 0.000 0.443 469 T N -0.463 114.084 114.554 -0.012 0.000 2.720 469 T HA -0.192 4.158 4.350 -0.000 0.000 0.268 469 T C 2.045 176.732 174.700 -0.020 0.000 1.037 469 T CA 1.837 63.925 62.100 -0.020 0.000 1.144 469 T CB -0.276 68.578 68.868 -0.024 0.000 0.864 469 T HN 0.727 nan 8.240 nan 0.000 0.444 470 R N 1.242 121.737 120.500 -0.010 0.000 2.096 470 R HA 0.019 4.359 4.340 -0.000 0.000 0.235 470 R C 2.434 178.734 176.300 -0.000 0.000 1.127 470 R CA 1.561 57.661 56.100 -0.001 0.000 0.968 470 R CB -0.511 29.791 30.300 0.004 0.000 0.861 470 R HN 0.315 nan 8.270 nan 0.000 0.440 471 A N 1.407 124.226 122.820 -0.003 0.000 1.902 471 A HA -0.178 4.142 4.320 -0.000 0.000 0.217 471 A C 2.280 179.865 177.584 0.003 0.000 1.181 471 A CA 1.486 53.524 52.037 0.001 0.000 0.623 471 A CB -0.666 18.334 19.000 -0.000 0.000 0.818 471 A HN 0.515 nan 8.150 nan 0.000 0.443 472 R N -0.246 120.251 120.500 -0.004 0.000 2.073 472 R HA -0.068 4.272 4.340 -0.000 0.000 0.234 472 R C 1.944 178.244 176.300 0.001 0.000 1.134 472 R CA 1.609 57.706 56.100 -0.006 0.000 0.952 472 R CB -0.410 29.879 30.300 -0.018 0.000 0.850 472 R HN 0.501 nan 8.270 nan 0.000 0.433 473 L N 0.449 121.667 121.223 -0.009 0.000 2.046 473 L HA -0.166 4.174 4.340 -0.000 0.000 0.208 473 L C 2.518 179.433 176.870 0.075 0.000 1.077 473 L CA 1.272 56.112 54.840 0.000 0.000 0.747 473 L CB -0.339 41.695 42.059 -0.042 0.000 0.896 473 L HN 0.293 nan 8.230 nan 0.000 0.432 474 I N -0.523 120.079 120.570 0.053 0.000 2.361 474 I HA -0.304 3.866 4.170 -0.000 0.000 0.251 474 I C 2.764 178.925 176.117 0.073 0.000 1.133 474 I CA 1.047 62.378 61.300 0.052 0.000 1.413 474 I CB -0.302 37.704 38.000 0.009 0.000 1.073 474 I HN 0.420 nan 8.210 nan 0.000 0.424 475 Q N 1.198 121.031 119.800 0.054 0.000 2.084 475 Q HA -0.250 4.090 4.340 -0.000 0.000 0.202 475 Q C 1.935 177.978 176.000 0.071 0.000 0.978 475 Q CA 1.685 57.520 55.803 0.054 0.000 0.844 475 Q CB -0.013 28.744 28.738 0.031 0.000 0.898 475 Q HN 0.562 nan 8.270 nan 0.000 0.426 476 E N -0.675 119.571 120.200 0.077 0.000 2.051 476 E HA -0.202 4.148 4.350 -0.000 0.000 0.192 476 E C 1.859 178.522 176.600 0.105 0.000 0.991 476 E CA 1.155 57.599 56.400 0.073 0.000 0.799 476 E CB -0.210 29.525 29.700 0.059 0.000 0.748 476 E HN 0.376 nan 8.360 nan 0.000 0.449 477 Y N 2.322 122.648 120.300 0.043 0.000 2.242 477 Y HA -0.184 4.366 4.550 -0.000 0.000 0.291 477 Y C 2.036 177.952 175.900 0.027 0.000 1.137 477 Y CA 1.895 60.021 58.100 0.043 0.000 1.181 477 Y CB 0.014 38.505 38.460 0.052 0.000 0.989 477 Y HN 0.090 nan 8.280 nan 0.000 0.527 478 E N -1.107 119.255 120.200 0.270 0.000 2.110 478 E HA -0.226 4.124 4.350 -0.000 0.000 0.193 478 E C 1.545 178.199 176.600 0.090 0.000 0.988 478 E CA 1.414 57.914 56.400 0.167 0.000 0.804 478 E CB -0.418 29.349 29.700 0.110 0.000 0.745 478 E HN 0.411 nan 8.360 nan 0.000 0.458 479 D N 0.897 121.332 120.400 0.060 0.000 2.117 479 D HA -0.079 4.561 4.640 -0.000 0.000 0.197 479 D C 1.778 178.078 176.300 0.000 0.000 0.987 479 D CA 1.802 55.820 54.000 0.029 0.000 0.829 479 D CB 0.036 40.848 40.800 0.019 0.000 0.961 479 D HN 0.326 nan 8.370 nan 0.000 0.460 480 A N -0.769 122.023 122.820 -0.047 0.000 2.167 480 A HA 0.221 4.541 4.320 -0.000 0.000 0.208 480 A C 1.948 179.447 177.584 -0.141 0.000 1.198 480 A CA -0.042 51.942 52.037 -0.088 0.000 0.863 480 A CB 0.368 19.306 19.000 -0.103 0.000 0.904 480 A HN 0.129 nan 8.150 nan 0.000 0.484 481 L N -0.929 120.155 121.223 -0.231 0.000 2.717 481 L HA 0.236 4.576 4.340 -0.000 0.000 0.239 481 L C -0.374 176.481 176.870 -0.024 0.000 1.086 481 L CA 0.177 54.827 54.840 -0.316 0.000 0.897 481 L CB 0.311 41.680 42.059 -1.150 0.000 1.214 481 L HN 0.201 nan 8.230 nan 0.000 0.508 482 L N 2.261 123.534 121.223 0.082 0.000 2.466 482 L HA 0.237 4.577 4.340 -0.000 0.000 0.248 482 L C 0.010 176.988 176.870 0.180 0.000 1.240 482 L CA 0.360 55.326 54.840 0.210 0.000 1.180 482 L CB -1.003 41.192 42.059 0.226 0.000 1.413 482 L HN 0.304 nan 8.230 nan 0.000 0.406 483 N N -1.102 117.686 118.700 0.146 0.000 2.823 483 N HA 0.457 5.197 4.740 -0.000 0.000 0.251 483 N C -2.635 172.921 175.510 0.078 0.000 1.392 483 N CA -1.453 51.684 53.050 0.145 0.000 0.864 483 N CB 2.102 40.718 38.487 0.215 0.000 1.481 483 N HN -0.214 nan 8.380 nan 0.000 0.508 484 P HA -0.152 nan 4.420 nan 0.000 0.217 484 P C 0.806 178.023 177.300 -0.137 0.000 1.150 484 P CA 1.381 64.399 63.100 -0.137 0.000 0.832 484 P CB -0.089 31.441 31.700 -0.283 0.000 0.787 485 Y N 0.577 120.883 120.300 0.010 0.000 2.181 485 Y HA -0.144 4.406 4.550 -0.000 0.000 0.288 485 Y C 2.820 178.708 175.900 -0.020 0.000 1.146 485 Y CA 1.784 59.884 58.100 0.000 0.000 1.164 485 Y CB -1.912 36.548 38.460 -0.000 0.000 0.982 485 Y HN -0.062 nan 8.280 nan 0.000 0.515 486 T N 0.023 114.652 114.554 0.125 0.000 2.721 486 T HA -0.310 4.040 4.350 -0.000 0.000 0.268 486 T C 2.171 176.865 174.700 -0.009 0.000 1.038 486 T CA 1.430 63.553 62.100 0.039 0.000 1.145 486 T CB -0.590 68.287 68.868 0.016 0.000 0.858 486 T HN 0.515 nan 8.240 nan 0.000 0.459 487 A N 1.136 123.956 122.820 0.000 0.000 1.902 487 A HA 0.172 4.492 4.320 -0.000 0.000 0.217 487 A C 2.642 180.217 177.584 -0.016 0.000 1.181 487 A CA 1.807 53.845 52.037 0.002 0.000 0.623 487 A CB -1.041 17.982 19.000 0.039 0.000 0.818 487 A HN 0.520 nan 8.150 nan 0.000 0.443 488 A N -0.078 122.743 122.820 0.001 0.000 1.933 488 A HA -0.186 4.134 4.320 -0.000 0.000 0.218 488 A C 1.885 179.471 177.584 0.004 0.000 1.175 488 A CA 1.672 53.717 52.037 0.014 0.000 0.628 488 A CB -0.522 18.498 19.000 0.033 0.000 0.814 488 A HN 0.659 nan 8.150 nan 0.000 0.444 489 E N -0.445 119.750 120.200 -0.010 0.000 2.077 489 E HA -0.184 4.166 4.350 -0.000 0.000 0.193 489 E C 2.270 178.820 176.600 -0.083 0.000 0.989 489 E CA 1.078 57.460 56.400 -0.029 0.000 0.800 489 E CB -0.195 29.488 29.700 -0.029 0.000 0.746 489 E HN 0.537 nan 8.360 nan 0.000 0.452 490 R N -0.555 119.828 120.500 -0.195 0.000 2.120 490 R HA -0.064 4.276 4.340 -0.000 0.000 0.234 490 R C 1.464 177.713 176.300 -0.086 0.000 1.123 490 R CA 0.890 56.835 56.100 -0.258 0.000 0.975 490 R CB -0.047 29.788 30.300 -0.775 0.000 0.866 490 R HN 0.344 nan 8.270 nan 0.000 0.446 491 G N -0.521 108.261 108.800 -0.029 0.000 2.141 491 G HA2 -0.294 3.666 3.960 -0.000 0.000 0.231 491 G HA3 -0.294 3.666 3.960 -0.000 0.000 0.231 491 G C 0.535 175.539 174.900 0.173 0.000 0.984 491 G CA 0.101 45.239 45.100 0.063 0.000 0.660 491 G HN 0.455 nan 8.290 nan 0.000 0.525 492 Y N -0.826 119.503 120.300 0.048 0.000 2.256 492 Y HA 0.071 4.621 4.550 -0.000 0.000 0.288 492 Y C 1.551 177.437 175.900 -0.022 0.000 1.155 492 Y CA 1.246 59.374 58.100 0.047 0.000 1.203 492 Y CB 0.304 38.849 38.460 0.142 0.000 0.980 492 Y HN 0.211 nan 8.280 nan 0.000 0.530 493 V N 0.415 120.421 119.914 0.154 0.000 2.588 493 V HA 0.030 4.150 4.120 -0.000 0.000 0.304 493 V C -0.456 175.661 176.094 0.038 0.000 1.042 493 V CA -0.629 61.708 62.300 0.062 0.000 0.877 493 V CB 1.858 33.702 31.823 0.035 0.000 0.996 493 V HN 0.158 nan 8.190 nan 0.000 0.425 494 D N 3.252 123.667 120.400 0.024 0.000 2.117 494 D HA 0.115 4.755 4.640 -0.000 0.000 0.197 494 D C 0.601 176.922 176.300 0.036 0.000 0.987 494 D CA 1.549 55.564 54.000 0.023 0.000 0.829 494 D CB 0.116 40.920 40.800 0.007 0.000 0.961 494 D HN 0.669 nan 8.370 nan 0.000 0.460 495 A N 0.018 122.869 122.820 0.051 0.000 2.449 495 A HA 0.584 4.904 4.320 -0.000 0.000 0.302 495 A C -1.155 176.461 177.584 0.054 0.000 1.048 495 A CA -0.746 51.345 52.037 0.090 0.000 0.708 495 A CB 1.691 20.809 19.000 0.198 0.000 1.274 495 A HN -0.048 nan 8.150 nan 0.000 0.410 496 V N 3.161 123.086 119.914 0.019 0.000 2.347 496 V HA 0.564 4.684 4.120 -0.000 0.000 0.280 496 V C -0.609 175.498 176.094 0.022 0.000 1.021 496 V CA -0.413 61.864 62.300 -0.039 0.000 0.847 496 V CB 0.375 32.063 31.823 -0.226 0.000 0.990 496 V HN 0.774 nan 8.190 nan 0.000 0.444 497 I N 1.996 122.585 120.570 0.031 0.000 2.689 497 I HA 0.640 4.810 4.170 -0.000 0.000 0.299 497 I C -0.221 175.820 176.117 -0.126 0.000 1.059 497 I CA -2.055 59.205 61.300 -0.068 0.000 1.055 497 I CB 1.496 39.344 38.000 -0.253 0.000 1.243 497 I HN 0.442 nan 8.210 nan 0.000 0.425 498 M N 4.158 123.639 119.600 -0.199 0.000 2.232 498 M HA 0.208 4.688 4.480 -0.000 0.000 0.321 498 M C -1.355 174.653 176.300 -0.485 0.000 1.101 498 M CA -0.831 54.279 55.300 -0.316 0.000 1.181 498 M CB 0.446 32.909 32.600 -0.227 0.000 1.432 498 M HN 0.457 nan 8.290 nan 0.000 0.457 499 P HA -0.133 nan 4.420 nan 0.000 0.217 499 P C 1.244 178.293 177.300 -0.419 0.000 1.150 499 P CA 1.522 63.989 63.100 -1.055 0.000 0.832 499 P CB -0.044 30.920 31.700 -1.227 0.000 0.787 500 S N -0.989 114.522 115.700 -0.315 0.000 2.382 500 S HA -0.194 4.276 4.470 -0.000 0.000 0.228 500 S C 1.862 176.379 174.600 -0.137 0.000 1.027 500 S CA 1.532 59.611 58.200 -0.202 0.000 0.991 500 S CB -1.487 61.606 63.200 -0.178 0.000 0.823 500 S HN 0.022 nan 8.310 nan 0.000 0.469 501 D N 1.518 121.819 120.400 -0.166 0.000 2.218 501 D HA -0.033 4.607 4.640 -0.000 0.000 0.204 501 D C 1.851 178.097 176.300 -0.090 0.000 0.976 501 D CA 1.231 55.135 54.000 -0.159 0.000 0.853 501 D CB -0.662 39.968 40.800 -0.284 0.000 0.939 501 D HN 0.447 nan 8.370 nan 0.000 0.481 502 T N -0.405 114.146 114.554 -0.004 0.000 2.759 502 T HA -0.196 4.154 4.350 -0.000 0.000 0.269 502 T C 1.887 176.709 174.700 0.204 0.000 1.042 502 T CA 1.141 63.343 62.100 0.170 0.000 1.140 502 T CB -0.082 69.044 68.868 0.430 0.000 0.864 502 T HN 0.210 nan 8.240 nan 0.000 0.455 503 R N 0.758 121.345 120.500 0.146 0.000 2.096 503 R HA -0.029 4.311 4.340 -0.000 0.000 0.235 503 R C 2.501 178.884 176.300 0.139 0.000 1.127 503 R CA 1.194 57.379 56.100 0.142 0.000 0.968 503 R CB -0.062 30.290 30.300 0.086 0.000 0.861 503 R HN 0.316 nan 8.270 nan 0.000 0.440 504 R N -0.853 119.714 120.500 0.113 0.000 2.073 504 R HA -0.138 4.202 4.340 -0.000 0.000 0.234 504 R C 2.258 178.697 176.300 0.232 0.000 1.134 504 R CA 1.921 58.104 56.100 0.138 0.000 0.952 504 R CB -0.484 29.883 30.300 0.112 0.000 0.850 504 R HN 0.542 nan 8.270 nan 0.000 0.433 505 H N 0.035 119.154 119.070 0.082 0.000 2.389 505 H HA -0.033 4.523 4.556 -0.000 0.000 0.299 505 H C 2.258 177.639 175.328 0.088 0.000 1.081 505 H CA 1.012 57.109 56.048 0.082 0.000 1.345 505 H CB 0.119 29.936 29.762 0.093 0.000 1.393 505 H HN 0.151 nan 8.280 nan 0.000 0.520 506 I N 0.588 121.306 120.570 0.247 0.000 2.226 506 I HA -0.244 3.926 4.170 -0.000 0.000 0.245 506 I C 2.345 178.545 176.117 0.139 0.000 1.100 506 I CA 0.932 62.346 61.300 0.190 0.000 1.374 506 I CB -0.265 37.880 38.000 0.241 0.000 1.057 506 I HN 0.102 nan 8.210 nan 0.000 0.413 507 V N 0.683 120.679 119.914 0.136 0.000 2.270 507 V HA -0.223 3.897 4.120 -0.000 0.000 0.245 507 V C 2.565 178.703 176.094 0.074 0.000 1.043 507 V CA 1.655 64.017 62.300 0.103 0.000 1.014 507 V CB -0.828 31.054 31.823 0.099 0.000 0.645 507 V HN 0.352 nan 8.190 nan 0.000 0.447 508 R N 0.330 120.869 120.500 0.066 0.000 2.096 508 R HA -0.095 4.245 4.340 -0.000 0.000 0.235 508 R C 2.493 178.802 176.300 0.015 0.000 1.127 508 R CA 1.471 57.591 56.100 0.034 0.000 0.968 508 R CB -0.844 29.468 30.300 0.019 0.000 0.861 508 R HN 0.608 nan 8.270 nan 0.000 0.440 509 G N 1.087 109.896 108.800 0.014 0.000 2.418 509 G HA2 -0.216 3.744 3.960 -0.000 0.000 0.217 509 G HA3 -0.216 3.744 3.960 -0.000 0.000 0.217 509 G C 1.477 176.390 174.900 0.021 0.000 1.158 509 G CA 0.283 45.383 45.100 0.001 0.000 0.771 509 G HN 0.127 nan 8.290 nan 0.000 0.545 510 L N -0.160 121.089 121.223 0.044 0.000 2.046 510 L HA -0.050 4.290 4.340 -0.000 0.000 0.208 510 L C 3.237 180.130 176.870 0.037 0.000 1.077 510 L CA 0.950 55.819 54.840 0.049 0.000 0.747 510 L CB -0.405 41.697 42.059 0.071 0.000 0.896 510 L HN 0.198 nan 8.230 nan 0.000 0.432 511 R N -0.330 120.190 120.500 0.034 0.000 2.073 511 R HA -0.161 4.179 4.340 -0.000 0.000 0.234 511 R C 2.225 178.535 176.300 0.017 0.000 1.134 511 R CA 1.065 57.181 56.100 0.026 0.000 0.952 511 R CB -0.381 29.934 30.300 0.026 0.000 0.850 511 R HN 0.459 nan 8.270 nan 0.000 0.433 512 Q N 0.375 120.182 119.800 0.011 0.000 2.084 512 Q HA -0.076 4.264 4.340 -0.000 0.000 0.202 512 Q C 2.014 178.017 176.000 0.005 0.000 0.978 512 Q CA 1.021 56.826 55.803 0.004 0.000 0.844 512 Q CB -0.121 28.613 28.738 -0.005 0.000 0.898 512 Q HN 0.169 nan 8.270 nan 0.000 0.426 513 L N 0.581 121.810 121.223 0.009 0.000 2.551 513 L HA -0.054 4.286 4.340 -0.000 0.000 0.228 513 L C 2.136 179.014 176.870 0.013 0.000 1.153 513 L CA 1.063 55.908 54.840 0.010 0.000 0.851 513 L CB -0.670 41.398 42.059 0.015 0.000 0.959 513 L HN 0.112 nan 8.230 nan 0.000 0.451 514 R N -0.667 119.842 120.500 0.014 0.000 2.127 514 R HA -0.175 4.164 4.340 -0.000 0.000 0.238 514 R C 2.216 178.522 176.300 0.010 0.000 1.134 514 R CA 1.847 57.956 56.100 0.015 0.000 0.975 514 R CB -0.535 29.773 30.300 0.014 0.000 0.865 514 R HN 0.576 nan 8.270 nan 0.000 0.447 515 T N -0.907 113.651 114.554 0.006 0.000 2.821 515 T HA -0.082 4.268 4.350 -0.000 0.000 0.267 515 T C 0.703 175.405 174.700 0.002 0.000 1.046 515 T CA 0.574 62.676 62.100 0.003 0.000 1.139 515 T CB -0.095 68.774 68.868 0.001 0.000 0.871 515 T HN 0.088 nan 8.240 nan 0.000 0.454 516 K N 2.362 122.763 120.400 0.003 0.000 2.489 516 K HA 0.270 4.590 4.320 -0.000 0.000 0.278 516 K C -0.183 176.417 176.600 -0.000 0.000 1.000 516 K CA 0.110 56.398 56.287 0.001 0.000 1.012 516 K CB 0.283 32.784 32.500 0.002 0.000 0.903 516 K HN 0.503 nan 8.250 nan 0.000 0.485 517 R N 1.192 121.690 120.500 -0.003 0.000 2.740 517 R HA 0.502 4.842 4.340 -0.000 0.000 0.273 517 R C -1.203 175.093 176.300 -0.007 0.000 0.998 517 R CA -0.979 55.117 56.100 -0.006 0.000 0.900 517 R CB 1.429 31.725 30.300 -0.007 0.000 1.223 517 R HN 0.537 nan 8.270 nan 0.000 0.466 518 E N 0.396 120.590 120.200 -0.010 0.000 2.412 518 E HA 0.539 4.889 4.350 -0.000 0.000 0.279 518 E C -1.218 175.373 176.600 -0.014 0.000 0.984 518 E CA -1.207 55.186 56.400 -0.011 0.000 0.788 518 E CB 2.592 32.285 29.700 -0.012 0.000 1.277 518 E HN 0.573 nan 8.360 nan 0.000 0.455 519 S N 1.315 117.006 115.700 -0.015 0.000 2.482 519 S HA 0.694 5.164 4.470 -0.000 0.000 0.303 519 S C -0.647 173.941 174.600 -0.020 0.000 1.091 519 S CA -0.875 57.315 58.200 -0.016 0.000 1.057 519 S CB 0.690 63.882 63.200 -0.014 0.000 1.031 519 S HN 0.462 nan 8.310 nan 0.000 0.485 520 L N -0.073 121.136 121.223 -0.022 0.000 2.376 520 L HA 0.851 5.191 4.340 -0.000 0.000 0.258 520 L C -2.992 173.864 176.870 -0.024 0.000 1.013 520 L CA -2.461 52.364 54.840 -0.026 0.000 0.822 520 L CB 0.106 42.145 42.059 -0.034 0.000 1.388 520 L HN 0.289 nan 8.230 nan 0.000 0.413 521 P HA 0.293 nan 4.420 nan 0.000 0.269 521 P C -2.514 174.772 177.300 -0.023 0.000 1.209 521 P CA -0.610 62.477 63.100 -0.022 0.000 0.776 521 P CB -0.199 31.488 31.700 -0.022 0.000 0.876 522 P HA 0.106 nan 4.420 nan 0.000 0.267 522 P C -0.904 176.376 177.300 -0.033 0.000 1.205 522 P CA 0.071 63.156 63.100 -0.026 0.000 0.765 522 P CB 0.539 32.224 31.700 -0.025 0.000 0.828 523 K N 1.209 121.586 120.400 -0.037 0.000 2.508 523 K HA 0.380 4.700 4.320 -0.000 0.000 0.260 523 K C 0.676 177.230 176.600 -0.077 0.000 0.949 523 K CA -1.156 55.096 56.287 -0.058 0.000 0.834 523 K CB 2.183 34.660 32.500 -0.037 0.000 1.365 523 K HN 0.028 nan 8.250 nan 0.000 0.437 524 K N 1.096 121.403 120.400 -0.154 0.000 2.001 524 K HA -0.100 4.220 4.320 -0.000 0.000 0.208 524 K C 0.560 177.084 176.600 -0.127 0.000 1.048 524 K CA 1.274 57.444 56.287 -0.193 0.000 0.932 524 K CB -0.430 31.869 32.500 -0.336 0.000 0.715 524 K HN 0.844 nan 8.250 nan 0.000 0.437 525 H N -1.957 117.118 119.070 0.008 0.000 3.042 525 H HA 0.423 4.979 4.556 -0.000 0.000 0.346 525 H C -0.740 174.616 175.328 0.046 0.000 1.294 525 H CA -1.090 54.968 56.048 0.017 0.000 1.141 525 H CB 0.992 30.753 29.762 -0.002 0.000 1.872 525 H HN 0.127 nan 8.280 nan 0.000 0.541 526 G N -0.192 108.791 108.800 0.305 0.000 2.562 526 G HA2 0.062 4.022 3.960 -0.000 0.000 0.275 526 G HA3 0.062 4.022 3.960 -0.000 0.000 0.275 526 G C 0.164 175.225 174.900 0.269 0.000 1.196 526 G CA -0.506 44.796 45.100 0.337 0.000 0.908 526 G HN 0.660 nan 8.290 nan 0.000 0.524 527 N N -0.016 118.845 118.700 0.269 0.000 2.380 527 N HA 0.041 4.781 4.740 -0.000 0.000 0.255 527 N C 0.430 175.894 175.510 -0.078 0.000 1.158 527 N CA -0.642 52.464 53.050 0.094 0.000 0.878 527 N CB -0.343 38.218 38.487 0.124 0.000 1.138 527 N HN 0.474 nan 8.380 nan 0.000 0.509 528 I N 1.172 121.433 120.570 -0.516 0.000 2.775 528 I HA 0.066 4.236 4.170 -0.000 0.000 0.290 528 I C -1.959 173.858 176.117 -0.500 0.000 1.203 528 I CA -1.062 59.507 61.300 -1.219 0.000 1.433 528 I CB 0.729 37.518 38.000 -2.018 0.000 1.354 528 I HN 0.096 nan 8.210 nan 0.000 0.579 529 P HA 0.204 nan 4.420 nan 0.000 0.268 529 P C -0.933 176.269 177.300 -0.163 0.000 1.204 529 P CA 0.174 63.177 63.100 -0.162 0.000 0.768 529 P CB 0.600 32.249 31.700 -0.085 0.000 0.842 530 L N 0.000 121.150 121.223 -0.122 0.000 2.949 530 L HA 0.000 4.340 4.340 -0.000 0.000 0.249 530 L CA 0.000 54.780 54.840 -0.101 0.000 0.813 530 L CB 0.000 41.992 42.059 -0.112 0.000 0.961 530 L HN 0.000 nan 8.230 nan 0.000 0.502