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 2bzr_1_D DATA FIRST_RESID 21 DATA SEQUENCE DIHTTAGKLA ELHKRREESL HPVGEDAVEK VHAKGKLTAR ERIYALLDED DATA SEQUENCE SFVELDALAK HRSTNFNLGE KRPLGDGVVT GYGTIDGRDV CIFSQDATVF DATA SEQUENCE GGSLGEVYGE KIVKVQELAI KTGRPLIGIN DGAGARIQEG VVSLGLYSRI DATA SEQUENCE FRNNILASGV IPQISLIMGA AAGGHVYSPA LTDFVIMVDQ TSQMFITGPD DATA SEQUENCE VIKTVTGEEV TMEELGGAHT HMAKSGTAHY AASGEQDAFD YVRELLSYLP DATA SEQUENCE PNNSTDAPRY QAAAPTGPIE ENLTDEDLEL DTLIPDSPNQ PYDMHEVITR DATA SEQUENCE LLDDEFLEIQ AGYAQNIVVG FGRIDGRPVG IVANQPTHFA GCLDINASEK DATA SEQUENCE AARFVRTCDC FNIPIVMLVD VPGFLPGTDQ EYNGIIRRGA KLLYAYGEAT DATA SEQUENCE VPKITVITRK AYGGAYCVMG SKDMGCDVNL AWPTAQIAVM GASGAVGFVY DATA SEQUENCE RQQXXXXXXX XXXXXXXRLR LQQEYEDTLV NPYVAAERGY VGAVIPPSHT DATA SEQUENCE RGYIGTALRL LERKXXXXXX KKHGNVPL 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 21 D HA 0.000 nan 4.640 nan 0.000 0.175 21 D C 0.000 176.283 176.300 -0.028 0.000 2.045 21 D CA 0.000 54.013 54.000 0.022 0.000 0.868 21 D CB 0.000 40.832 40.800 0.053 0.000 0.688 22 I N 1.921 122.425 120.570 -0.111 0.000 3.968 22 I HA 0.122 4.293 4.170 0.003 0.000 0.328 22 I C 0.641 176.563 176.117 -0.325 0.000 1.290 22 I CA 0.136 61.303 61.300 -0.221 0.000 1.163 22 I CB 0.093 37.931 38.000 -0.269 0.000 1.024 22 I HN 0.337 nan 8.210 nan 0.000 0.413 23 H N -0.294 118.773 119.070 -0.004 0.000 2.567 23 H HA 0.192 4.750 4.556 0.003 0.000 0.294 23 H C 0.420 175.745 175.328 -0.004 0.000 1.050 23 H CA 0.222 56.267 56.048 -0.004 0.000 1.168 23 H CB -0.167 29.593 29.762 -0.003 0.000 1.422 23 H HN 0.210 nan 8.280 nan 0.000 0.562 24 T N -4.429 110.151 114.554 0.044 0.000 2.932 24 T HA 0.171 4.522 4.350 0.003 0.000 0.289 24 T C 1.355 176.058 174.700 0.005 0.000 1.039 24 T CA -0.726 61.393 62.100 0.031 0.000 1.024 24 T CB 1.943 70.828 68.868 0.027 0.000 1.090 24 T HN -0.023 nan 8.240 nan 0.000 0.496 25 T N 1.523 116.080 114.554 0.006 0.000 2.720 25 T HA -0.067 4.285 4.350 0.003 0.000 0.268 25 T C 2.350 177.044 174.700 -0.010 0.000 1.037 25 T CA 1.708 63.805 62.100 -0.005 0.000 1.144 25 T CB -0.790 68.077 68.868 -0.001 0.000 0.864 25 T HN 0.843 nan 8.240 nan 0.000 0.444 26 A N 1.136 123.956 122.820 -0.000 0.000 1.972 26 A HA 0.141 4.463 4.320 0.003 0.000 0.219 26 A C 2.581 180.165 177.584 -0.000 0.000 1.169 26 A CA 1.774 53.813 52.037 0.005 0.000 0.635 26 A CB -1.168 17.840 19.000 0.013 0.000 0.810 26 A HN 0.521 nan 8.150 nan 0.000 0.446 27 G N -0.328 108.467 108.800 -0.009 0.000 2.403 27 G HA2 -0.152 3.809 3.960 0.003 0.000 0.216 27 G HA3 -0.152 3.809 3.960 0.003 0.000 0.216 27 G C 1.635 176.510 174.900 -0.041 0.000 1.154 27 G CA 0.886 45.974 45.100 -0.021 0.000 0.784 27 G HN 0.572 nan 8.290 nan 0.000 0.538 28 K N -0.424 119.946 120.400 -0.049 0.000 2.097 28 K HA 0.012 4.333 4.320 0.003 0.000 0.206 28 K C 2.295 178.847 176.600 -0.080 0.000 1.049 28 K CA 0.779 57.028 56.287 -0.064 0.000 0.933 28 K CB -0.236 32.230 32.500 -0.057 0.000 0.717 28 K HN 0.250 nan 8.250 nan 0.000 0.442 29 L N 1.141 122.317 121.223 -0.078 0.000 2.056 29 L HA -0.077 4.265 4.340 0.003 0.000 0.207 29 L C 2.209 178.988 176.870 -0.151 0.000 1.078 29 L CA 1.713 56.471 54.840 -0.137 0.000 0.749 29 L CB -0.716 41.296 42.059 -0.079 0.000 0.901 29 L HN 0.116 nan 8.230 nan 0.000 0.433 30 A N -0.706 122.104 122.820 -0.018 0.000 1.902 30 A HA -0.238 4.084 4.320 0.003 0.000 0.217 30 A C 2.237 179.836 177.584 0.025 0.000 1.181 30 A CA 1.638 53.713 52.037 0.062 0.000 0.623 30 A CB -0.697 18.335 19.000 0.054 0.000 0.818 30 A HN 0.552 nan 8.150 nan 0.000 0.443 31 E N -0.085 120.101 120.200 -0.023 0.000 2.110 31 E HA -0.175 4.176 4.350 0.003 0.000 0.193 31 E C 1.737 178.309 176.600 -0.047 0.000 0.988 31 E CA 1.363 57.745 56.400 -0.031 0.000 0.804 31 E CB -0.419 29.252 29.700 -0.049 0.000 0.745 31 E HN 0.464 nan 8.360 nan 0.000 0.458 32 L N 0.339 121.500 121.223 -0.103 0.000 2.027 32 L HA -0.144 4.197 4.340 0.003 0.000 0.206 32 L C 2.093 178.907 176.870 -0.094 0.000 1.074 32 L CA 1.961 56.721 54.840 -0.133 0.000 0.745 32 L CB -0.785 41.144 42.059 -0.217 0.000 0.898 32 L HN 0.240 nan 8.230 nan 0.000 0.433 33 H N 0.296 119.357 119.070 -0.015 0.000 2.387 33 H HA -0.208 4.350 4.556 0.003 0.000 0.299 33 H C 2.182 177.505 175.328 -0.009 0.000 1.099 33 H CA 1.829 57.870 56.048 -0.011 0.000 1.315 33 H CB -0.203 29.555 29.762 -0.007 0.000 1.380 33 H HN 0.503 nan 8.280 nan 0.000 0.513 34 K N 1.293 121.754 120.400 0.102 0.000 2.057 34 K HA -0.091 4.231 4.320 0.003 0.000 0.206 34 K C 2.222 178.837 176.600 0.025 0.000 1.050 34 K CA 0.870 57.191 56.287 0.057 0.000 0.935 34 K CB 0.145 32.668 32.500 0.039 0.000 0.715 34 K HN 0.149 nan 8.250 nan 0.000 0.439 35 R N 0.392 120.895 120.500 0.005 0.000 2.081 35 R HA -0.062 4.279 4.340 0.003 0.000 0.235 35 R C 2.593 178.879 176.300 -0.023 0.000 1.131 35 R CA 1.471 57.562 56.100 -0.016 0.000 0.960 35 R CB -0.319 29.966 30.300 -0.025 0.000 0.856 35 R HN 0.224 nan 8.270 nan 0.000 0.436 36 R N 0.631 121.129 120.500 -0.002 0.000 2.083 36 R HA -0.185 4.157 4.340 0.003 0.000 0.237 36 R C 2.299 178.585 176.300 -0.023 0.000 1.137 36 R CA 1.704 57.805 56.100 0.003 0.000 0.951 36 R CB -0.235 30.094 30.300 0.049 0.000 0.851 36 R HN 0.133 nan 8.270 nan 0.000 0.434 37 E N 1.043 121.240 120.200 -0.004 0.000 2.058 37 E HA -0.241 4.110 4.350 0.003 0.000 0.194 37 E C 1.741 178.205 176.600 -0.226 0.000 0.997 37 E CA 1.734 58.118 56.400 -0.027 0.000 0.801 37 E CB -0.100 29.634 29.700 0.056 0.000 0.746 37 E HN 0.296 nan 8.360 nan 0.000 0.450 38 E N -0.322 119.775 120.200 -0.172 0.000 2.118 38 E HA -0.216 4.136 4.350 0.003 0.000 0.195 38 E C 1.907 178.299 176.600 -0.347 0.000 0.992 38 E CA 1.499 57.737 56.400 -0.269 0.000 0.804 38 E CB -0.242 29.412 29.700 -0.077 0.000 0.741 38 E HN 0.384 nan 8.360 nan 0.000 0.458 39 S N 0.206 115.788 115.700 -0.197 0.000 2.440 39 S HA -0.132 4.340 4.470 0.003 0.000 0.238 39 S C 1.924 176.429 174.600 -0.158 0.000 1.010 39 S CA 0.813 58.934 58.200 -0.132 0.000 0.972 39 S CB -0.417 62.747 63.200 -0.060 0.000 0.774 39 S HN 0.316 nan 8.310 nan 0.000 0.501 40 L N 1.297 122.364 121.223 -0.260 0.000 2.313 40 L HA 0.098 4.439 4.340 0.003 0.000 0.214 40 L C 0.906 177.704 176.870 -0.120 0.000 1.119 40 L CA 0.718 55.468 54.840 -0.151 0.000 0.809 40 L CB -0.485 41.546 42.059 -0.047 0.000 0.933 40 L HN 0.659 nan 8.230 nan 0.000 0.449 41 H N -2.750 116.324 119.070 0.006 0.000 2.562 41 H HA 0.242 4.799 4.556 0.003 0.000 0.230 41 H C -2.552 172.767 175.328 -0.015 0.000 1.415 41 H CA -1.535 54.507 56.048 -0.010 0.000 1.454 41 H CB 0.262 30.018 29.762 -0.010 0.000 1.716 41 H HN -0.023 nan 8.280 nan 0.000 0.538 42 P HA -0.096 nan 4.420 nan 0.000 0.223 42 P C 1.169 178.466 177.300 -0.005 0.000 1.151 42 P CA 0.745 63.827 63.100 -0.030 0.000 0.787 42 P CB 0.334 32.011 31.700 -0.038 0.000 0.788 43 V N -4.400 115.513 119.914 -0.001 0.000 3.121 43 V HA 0.699 4.821 4.120 0.003 0.000 0.344 43 V C 0.451 176.552 176.094 0.011 0.000 1.390 43 V CA -0.153 62.133 62.300 -0.023 0.000 1.177 43 V CB -0.414 31.360 31.823 -0.082 0.000 1.163 43 V HN 0.270 nan 8.190 nan 0.000 0.484 44 G N 0.462 109.305 108.800 0.071 0.000 2.640 44 G HA2 -0.088 3.873 3.960 0.003 0.000 0.686 44 G HA3 -0.088 3.873 3.960 0.003 0.000 0.686 44 G C -0.171 174.736 174.900 0.012 0.000 1.229 44 G CA -0.076 45.051 45.100 0.045 0.000 0.796 44 G HN 0.303 nan 8.290 nan 0.000 0.654 45 E N -0.027 120.107 120.200 -0.110 0.000 2.338 45 E HA -0.067 4.284 4.350 0.003 0.000 0.197 45 E C 1.391 177.936 176.600 -0.091 0.000 1.007 45 E CA 0.877 57.172 56.400 -0.174 0.000 0.849 45 E CB 0.126 29.641 29.700 -0.309 0.000 0.774 45 E HN 0.491 nan 8.360 nan 0.000 0.506 46 D N 0.726 121.087 120.400 -0.064 0.000 2.263 46 D HA -0.079 4.563 4.640 0.003 0.000 0.208 46 D C 1.776 178.046 176.300 -0.050 0.000 0.971 46 D CA 0.793 54.764 54.000 -0.049 0.000 0.867 46 D CB -0.007 40.772 40.800 -0.035 0.000 0.929 46 D HN 0.184 nan 8.370 nan 0.000 0.492 47 A N -0.069 122.723 122.820 -0.047 0.000 1.930 47 A HA -0.111 4.210 4.320 0.003 0.000 0.217 47 A C 2.418 179.947 177.584 -0.091 0.000 1.175 47 A CA 0.992 52.999 52.037 -0.050 0.000 0.627 47 A CB -0.578 18.404 19.000 -0.031 0.000 0.815 47 A HN 0.143 nan 8.150 nan 0.000 0.443 48 V N 0.180 120.019 119.914 -0.125 0.000 2.252 48 V HA -0.330 3.791 4.120 0.003 0.000 0.249 48 V C 2.410 178.276 176.094 -0.381 0.000 1.056 48 V CA 2.458 64.597 62.300 -0.268 0.000 1.022 48 V CB -0.925 30.771 31.823 -0.212 0.000 0.641 48 V HN 0.634 nan 8.190 nan 0.000 0.445 49 E N -0.314 119.780 120.200 -0.177 0.000 2.106 49 E HA -0.180 4.172 4.350 0.003 0.000 0.192 49 E C 2.363 178.947 176.600 -0.028 0.000 0.984 49 E CA 0.873 57.233 56.400 -0.067 0.000 0.806 49 E CB -0.083 29.611 29.700 -0.011 0.000 0.750 49 E HN 0.579 nan 8.360 nan 0.000 0.458 50 K N 0.365 120.738 120.400 -0.044 0.000 2.063 50 K HA -0.136 4.185 4.320 0.003 0.000 0.208 50 K C 2.204 178.803 176.600 -0.002 0.000 1.048 50 K CA 1.170 57.448 56.287 -0.015 0.000 0.928 50 K CB -0.188 32.301 32.500 -0.018 0.000 0.713 50 K HN 0.032 nan 8.250 nan 0.000 0.442 51 V N 1.182 121.071 119.914 -0.041 0.000 2.307 51 V HA -0.230 3.892 4.120 0.003 0.000 0.245 51 V C 2.172 178.324 176.094 0.096 0.000 1.045 51 V CA 1.766 64.063 62.300 -0.004 0.000 1.024 51 V CB -0.670 31.119 31.823 -0.057 0.000 0.651 51 V HN 0.293 nan 8.190 nan 0.000 0.449 52 H N 0.619 119.703 119.070 0.023 0.000 2.387 52 H HA -0.087 4.471 4.556 0.003 0.000 0.299 52 H C 2.292 177.631 175.328 0.018 0.000 1.099 52 H CA 1.555 57.617 56.048 0.023 0.000 1.315 52 H CB -0.746 29.030 29.762 0.023 0.000 1.380 52 H HN 0.451 nan 8.280 nan 0.000 0.513 53 A N 0.832 123.737 122.820 0.143 0.000 2.067 53 A HA -0.109 4.212 4.320 0.003 0.000 0.219 53 A C 2.026 179.646 177.584 0.060 0.000 1.158 53 A CA 1.028 53.113 52.037 0.080 0.000 0.661 53 A CB -0.194 18.839 19.000 0.055 0.000 0.801 53 A HN 0.336 nan 8.150 nan 0.000 0.452 54 K N -1.095 119.344 120.400 0.065 0.000 2.487 54 K HA 0.209 4.531 4.320 0.003 0.000 0.192 54 K C 1.004 177.634 176.600 0.050 0.000 1.027 54 K CA 0.428 56.746 56.287 0.052 0.000 1.054 54 K CB -0.074 32.456 32.500 0.051 0.000 0.824 54 K HN 0.599 nan 8.250 nan 0.000 0.510 55 G N 2.019 110.854 108.800 0.058 0.000 2.143 55 G HA2 -0.299 3.663 3.960 0.003 0.000 0.248 55 G HA3 -0.299 3.663 3.960 0.003 0.000 0.248 55 G C -0.268 174.660 174.900 0.047 0.000 0.991 55 G CA 0.317 45.440 45.100 0.039 0.000 0.689 55 G HN 0.283 nan 8.290 nan 0.000 0.522 56 K N -0.936 119.517 120.400 0.088 0.000 2.238 56 K HA 0.790 5.111 4.320 0.003 0.000 0.239 56 K C -0.246 176.463 176.600 0.181 0.000 0.987 56 K CA -1.162 55.185 56.287 0.100 0.000 0.857 56 K CB 1.366 33.917 32.500 0.086 0.000 1.154 56 K HN -0.011 nan 8.250 nan 0.000 0.439 57 L N 0.906 122.230 121.223 0.169 0.000 2.334 57 L HA 0.341 4.683 4.340 0.003 0.000 0.270 57 L C 0.651 177.606 176.870 0.140 0.000 1.018 57 L CA -0.360 54.613 54.840 0.222 0.000 0.811 57 L CB 1.239 43.434 42.059 0.228 0.000 1.271 57 L HN 0.859 nan 8.230 nan 0.000 0.443 58 T N -1.652 112.965 114.554 0.105 0.000 2.813 58 T HA 0.347 4.699 4.350 0.003 0.000 0.297 58 T C 1.357 176.051 174.700 -0.011 0.000 1.036 58 T CA 0.025 62.136 62.100 0.018 0.000 1.044 58 T CB 0.606 69.461 68.868 -0.022 0.000 0.993 58 T HN 0.638 nan 8.240 nan 0.000 0.535 59 A N 1.283 124.081 122.820 -0.036 0.000 1.917 59 A HA -0.143 4.179 4.320 0.003 0.000 0.219 59 A C 2.574 180.044 177.584 -0.190 0.000 1.182 59 A CA 1.939 53.932 52.037 -0.072 0.000 0.633 59 A CB -0.860 18.104 19.000 -0.060 0.000 0.819 59 A HN 0.935 nan 8.150 nan 0.000 0.448 60 R N -0.790 119.565 120.500 -0.243 0.000 2.073 60 R HA -0.072 4.269 4.340 0.003 0.000 0.229 60 R C 2.170 178.076 176.300 -0.656 0.000 1.120 60 R CA 1.371 57.168 56.100 -0.506 0.000 0.967 60 R CB -0.227 29.853 30.300 -0.366 0.000 0.862 60 R HN 0.691 nan 8.270 nan 0.000 0.436 61 E N -0.214 119.815 120.200 -0.285 0.000 2.118 61 E HA -0.231 4.120 4.350 0.003 0.000 0.195 61 E C 2.057 178.552 176.600 -0.174 0.000 0.992 61 E CA 1.287 57.615 56.400 -0.120 0.000 0.804 61 E CB 0.079 29.817 29.700 0.062 0.000 0.741 61 E HN 0.277 nan 8.360 nan 0.000 0.458 62 R N 0.228 120.629 120.500 -0.165 0.000 2.075 62 R HA -0.096 4.245 4.340 0.003 0.000 0.232 62 R C 2.408 178.424 176.300 -0.474 0.000 1.126 62 R CA 1.135 57.119 56.100 -0.193 0.000 0.963 62 R CB -0.288 30.055 30.300 0.073 0.000 0.858 62 R HN 0.194 nan 8.270 nan 0.000 0.435 63 I N -0.167 120.121 120.570 -0.470 0.000 2.127 63 I HA -0.337 3.835 4.170 0.003 0.000 0.241 63 I C 1.959 177.842 176.117 -0.390 0.000 1.075 63 I CA 1.662 62.633 61.300 -0.550 0.000 1.334 63 I CB -0.425 37.028 38.000 -0.912 0.000 1.040 63 I HN 0.236 nan 8.210 nan 0.000 0.405 64 Y N 0.570 120.662 120.300 -0.345 0.000 2.224 64 Y HA -0.252 4.300 4.550 0.003 0.000 0.289 64 Y C 2.712 178.453 175.900 -0.264 0.000 1.146 64 Y CA 0.371 58.328 58.100 -0.238 0.000 1.182 64 Y CB -0.363 38.011 38.460 -0.143 0.000 0.983 64 Y HN 0.191 nan 8.280 nan 0.000 0.524 65 A N 0.060 122.726 122.820 -0.257 0.000 1.873 65 A HA -0.171 4.151 4.320 0.003 0.000 0.215 65 A C 2.085 179.365 177.584 -0.506 0.000 1.186 65 A CA 1.391 53.178 52.037 -0.416 0.000 0.616 65 A CB -0.901 17.682 19.000 -0.695 0.000 0.823 65 A HN 0.393 nan 8.150 nan 0.000 0.442 66 L N -0.233 120.563 121.223 -0.713 0.000 2.027 66 L HA 0.115 4.457 4.340 0.003 0.000 0.206 66 L C 0.941 177.706 176.870 -0.176 0.000 1.074 66 L CA 1.205 55.800 54.840 -0.408 0.000 0.745 66 L CB -0.491 41.358 42.059 -0.350 0.000 0.898 66 L HN 0.339 nan 8.230 nan 0.000 0.433 67 L N 0.333 121.470 121.223 -0.143 0.000 2.453 67 L HA 0.128 4.469 4.340 0.003 0.000 0.261 67 L C -0.031 176.824 176.870 -0.024 0.000 1.179 67 L CA -0.871 53.942 54.840 -0.045 0.000 0.813 67 L CB 0.052 42.118 42.059 0.011 0.000 1.110 67 L HN 0.076 nan 8.230 nan 0.000 0.466 68 D N 1.428 121.826 120.400 -0.003 0.000 2.506 68 D HA -0.049 4.593 4.640 0.003 0.000 0.234 68 D C 0.253 176.550 176.300 -0.004 0.000 1.143 68 D CA 0.277 54.274 54.000 -0.005 0.000 0.871 68 D CB 0.435 41.237 40.800 0.003 0.000 1.190 68 D HN 0.420 nan 8.370 nan 0.000 0.459 69 E N 1.286 121.473 120.200 -0.021 0.000 2.608 69 E HA -0.172 4.180 4.350 0.003 0.000 0.259 69 E C -0.171 176.405 176.600 -0.039 0.000 0.951 69 E CA 0.261 56.637 56.400 -0.039 0.000 0.945 69 E CB 0.201 29.875 29.700 -0.043 0.000 0.916 69 E HN 0.307 nan 8.360 nan 0.000 0.477 70 D N 1.793 122.153 120.400 -0.067 0.000 3.079 70 D HA -0.204 4.438 4.640 0.003 0.000 0.214 70 D C 0.712 177.002 176.300 -0.016 0.000 1.145 70 D CA 1.342 55.304 54.000 -0.063 0.000 0.958 70 D CB -1.608 39.158 40.800 -0.057 0.000 1.117 70 D HN 0.474 nan 8.370 nan 0.000 0.416 71 S N -1.066 114.651 115.700 0.028 0.000 2.524 71 S HA 0.077 4.549 4.470 0.003 0.000 0.216 71 S C 0.503 175.147 174.600 0.072 0.000 0.987 71 S CA -0.499 57.730 58.200 0.048 0.000 0.909 71 S CB 0.134 63.371 63.200 0.062 0.000 0.781 71 S HN 0.206 nan 8.310 nan 0.000 0.521 72 F N 3.232 123.154 119.950 -0.048 0.000 2.467 72 F HA 0.548 5.076 4.527 0.002 0.000 0.362 72 F C -0.571 175.140 175.800 -0.147 0.000 1.090 72 F CA -1.218 56.751 58.000 -0.053 0.000 1.202 72 F CB 1.004 40.074 39.000 0.116 0.000 1.113 72 F HN -0.094 nan 8.300 nan 0.000 0.541 73 V N 6.813 126.171 119.914 -0.926 0.000 2.378 73 V HA 0.229 4.351 4.120 0.003 0.000 0.288 73 V C -0.123 175.129 176.094 -1.403 0.000 1.016 73 V CA -0.931 60.737 62.300 -1.054 0.000 0.840 73 V CB 1.267 32.404 31.823 -1.144 0.000 0.994 73 V HN 0.756 nan 8.190 nan 0.000 0.431 74 E N 4.264 123.767 120.200 -1.162 0.000 2.343 74 E HA 0.586 4.938 4.350 0.003 0.000 0.269 74 E C -1.231 175.179 176.600 -0.317 0.000 1.047 74 E CA -0.470 55.459 56.400 -0.784 0.000 0.874 74 E CB 1.140 30.615 29.700 -0.376 0.000 1.033 74 E HN 0.558 nan 8.360 nan 0.000 0.409 75 L N 2.843 123.991 121.223 -0.125 0.000 2.333 75 L HA 0.285 4.627 4.340 0.003 0.000 0.269 75 L C -0.344 176.528 176.870 0.003 0.000 1.010 75 L CA -0.893 53.933 54.840 -0.023 0.000 0.818 75 L CB 1.588 43.677 42.059 0.050 0.000 1.306 75 L HN 0.643 nan 8.230 nan 0.000 0.430 76 D N 1.053 121.455 120.400 0.003 0.000 2.737 76 D HA -0.259 4.382 4.640 0.003 0.000 0.233 76 D C 1.263 177.567 176.300 0.006 0.000 1.155 76 D CA 1.047 55.051 54.000 0.006 0.000 0.667 76 D CB -0.740 40.069 40.800 0.014 0.000 1.060 76 D HN 0.750 nan 8.370 nan 0.000 0.427 77 A N -0.256 122.563 122.820 -0.003 0.000 1.917 77 A HA -0.142 4.180 4.320 0.003 0.000 0.219 77 A C 2.139 179.721 177.584 -0.002 0.000 1.182 77 A CA 1.318 53.356 52.037 0.003 0.000 0.633 77 A CB -0.271 18.726 19.000 -0.005 0.000 0.819 77 A HN 0.464 nan 8.150 nan 0.000 0.448 78 L N -0.530 120.688 121.223 -0.008 0.000 2.653 78 L HA 0.299 4.640 4.340 0.003 0.000 0.231 78 L C 1.115 177.982 176.870 -0.005 0.000 1.153 78 L CA -0.237 54.596 54.840 -0.012 0.000 0.933 78 L CB -0.554 41.493 42.059 -0.020 0.000 1.175 78 L HN 0.357 nan 8.230 nan 0.000 0.473 79 A N 1.105 123.928 122.820 0.005 0.000 2.507 79 A HA 0.333 4.654 4.320 0.003 0.000 0.235 79 A C 0.173 177.771 177.584 0.022 0.000 1.070 79 A CA 0.494 52.539 52.037 0.014 0.000 0.768 79 A CB 0.268 19.282 19.000 0.024 0.000 1.011 79 A HN 0.329 nan 8.150 nan 0.000 0.502 80 K N 0.714 121.124 120.400 0.017 0.000 2.498 80 K HA 0.284 4.605 4.320 0.003 0.000 0.254 80 K C -0.481 176.129 176.600 0.017 0.000 0.933 80 K CA -0.746 55.545 56.287 0.006 0.000 0.806 80 K CB 1.700 34.165 32.500 -0.059 0.000 1.301 80 K HN 1.012 nan 8.250 nan 0.000 0.432 81 H N 1.890 120.998 119.070 0.063 0.000 2.836 81 H HA 0.085 4.643 4.556 0.003 0.000 0.368 81 H C -0.246 175.086 175.328 0.007 0.000 1.164 81 H CA 0.215 56.279 56.048 0.027 0.000 1.425 81 H CB 0.942 30.709 29.762 0.008 0.000 1.414 81 H HN 0.711 nan 8.280 nan 0.000 0.614 82 R N 2.154 122.760 120.500 0.178 0.000 2.662 82 R HA 0.249 4.590 4.340 0.003 0.000 0.396 82 R C -0.518 175.874 176.300 0.153 0.000 1.096 82 R CA -0.556 55.597 56.100 0.088 0.000 1.081 82 R CB 0.181 30.500 30.300 0.030 0.000 1.382 82 R HN 0.330 nan 8.270 nan 0.000 0.580 83 S N 0.851 116.763 115.700 0.353 0.000 2.562 83 S HA 0.186 4.658 4.470 0.003 0.000 0.275 83 S C 0.868 175.551 174.600 0.138 0.000 1.281 83 S CA -0.241 58.033 58.200 0.123 0.000 1.045 83 S CB 1.390 64.547 63.200 -0.072 0.000 0.962 83 S HN 0.438 nan 8.310 nan 0.000 0.503 84 T N 0.855 115.427 114.554 0.031 0.000 3.085 84 T HA 0.286 4.638 4.350 0.003 0.000 0.264 84 T C 0.162 174.827 174.700 -0.057 0.000 1.019 84 T CA -0.453 61.655 62.100 0.014 0.000 0.910 84 T CB -0.753 68.111 68.868 -0.007 0.000 1.059 84 T HN 0.612 nan 8.240 nan 0.000 0.542 85 N N 1.737 120.372 118.700 -0.107 0.000 2.454 85 N HA 0.271 5.012 4.740 0.003 0.000 0.254 85 N C -0.760 174.672 175.510 -0.131 0.000 1.228 85 N CA -0.522 52.376 53.050 -0.253 0.000 0.900 85 N CB -0.093 38.253 38.487 -0.234 0.000 1.089 85 N HN 0.123 nan 8.380 nan 0.000 0.449 86 F N 1.154 121.088 119.950 -0.027 0.000 3.019 86 F HA -0.316 4.211 4.527 0.001 0.000 0.259 86 F C 0.457 176.253 175.800 -0.007 0.000 0.976 86 F CA 0.165 58.153 58.000 -0.021 0.000 0.876 86 F CB -2.144 36.834 39.000 -0.035 0.000 0.784 86 F HN 0.662 nan 8.300 nan 0.000 0.786 87 N N -2.122 116.650 118.700 0.121 0.000 2.778 87 N HA -0.261 4.481 4.740 0.003 0.000 0.249 87 N C 1.230 176.816 175.510 0.128 0.000 1.069 87 N CA 1.062 54.179 53.050 0.111 0.000 0.831 87 N CB -1.315 37.238 38.487 0.111 0.000 1.142 87 N HN 0.573 nan 8.380 nan 0.000 0.573 88 L N 0.092 121.380 121.223 0.107 0.000 2.131 88 L HA -0.106 4.235 4.340 0.003 0.000 0.210 88 L C 2.441 179.484 176.870 0.288 0.000 1.092 88 L CA 2.010 56.903 54.840 0.087 0.000 0.759 88 L CB -0.774 41.181 42.059 -0.173 0.000 0.903 88 L HN 0.418 nan 8.230 nan 0.000 0.435 89 G N -0.451 108.490 108.800 0.235 0.000 2.479 89 G HA2 -0.253 3.708 3.960 0.003 0.000 0.220 89 G HA3 -0.253 3.708 3.960 0.003 0.000 0.220 89 G C 1.310 176.290 174.900 0.132 0.000 1.115 89 G CA 0.436 45.651 45.100 0.191 0.000 0.757 89 G HN 0.485 nan 8.290 nan 0.000 0.560 90 E N -0.643 119.643 120.200 0.143 0.000 2.347 90 E HA 0.039 4.391 4.350 0.003 0.000 0.196 90 E C 0.917 177.597 176.600 0.132 0.000 1.008 90 E CA 0.377 56.844 56.400 0.112 0.000 0.852 90 E CB 0.171 29.932 29.700 0.102 0.000 0.783 90 E HN 0.281 nan 8.360 nan 0.000 0.505 91 K N 0.953 121.488 120.400 0.224 0.000 2.640 91 K HA 0.249 4.571 4.320 0.003 0.000 0.245 91 K C -1.058 175.769 176.600 0.378 0.000 0.962 91 K CA -0.422 56.015 56.287 0.250 0.000 0.896 91 K CB 0.882 33.546 32.500 0.274 0.000 1.147 91 K HN -0.155 nan 8.250 nan 0.000 0.445 92 R N 4.356 124.953 120.500 0.162 0.000 2.651 92 R HA 0.257 4.598 4.340 0.003 0.000 0.282 92 R C -2.635 173.710 176.300 0.075 0.000 1.565 92 R CA -1.810 54.330 56.100 0.066 0.000 1.661 92 R CB 1.064 31.240 30.300 -0.207 0.000 1.189 92 R HN 0.370 nan 8.270 nan 0.000 0.621 93 P HA 0.007 nan 4.420 nan 0.000 0.268 93 P C 0.042 177.372 177.300 0.051 0.000 1.204 93 P CA -0.096 63.029 63.100 0.042 0.000 0.768 93 P CB 0.676 32.365 31.700 -0.018 0.000 0.842 94 L N 2.550 123.779 121.223 0.011 0.000 2.513 94 L HA 0.186 4.527 4.340 0.003 0.000 0.272 94 L C 1.743 178.620 176.870 0.012 0.000 1.187 94 L CA 1.047 55.889 54.840 0.003 0.000 0.895 94 L CB -0.691 41.353 42.059 -0.024 0.000 1.147 94 L HN 0.842 nan 8.230 nan 0.000 0.483 95 G N 1.921 110.735 108.800 0.024 0.000 2.213 95 G HA2 -0.319 3.643 3.960 0.003 0.000 0.236 95 G HA3 -0.319 3.643 3.960 0.003 0.000 0.236 95 G C 0.491 175.420 174.900 0.048 0.000 0.991 95 G CA 0.267 45.380 45.100 0.022 0.000 0.629 95 G HN 0.820 nan 8.290 nan 0.000 0.517 96 D N -1.394 119.070 120.400 0.107 0.000 2.955 96 D HA 0.094 4.736 4.640 0.003 0.000 0.226 96 D C 1.849 178.300 176.300 0.253 0.000 1.178 96 D CA 3.390 57.519 54.000 0.215 0.000 0.808 96 D CB -1.252 39.677 40.800 0.217 0.000 1.099 96 D HN 2.222 nan 8.370 nan 0.000 0.421 97 G N -2.718 106.159 108.800 0.129 0.000 2.163 97 G HA2 -0.017 3.945 3.960 0.003 0.000 0.213 97 G HA3 -0.017 3.945 3.960 0.003 0.000 0.213 97 G C 0.119 174.910 174.900 -0.182 0.000 0.991 97 G CA 0.255 45.431 45.100 0.126 0.000 0.653 97 G HN 1.250 nan 8.290 nan 0.000 0.518 98 V N -0.194 119.544 119.914 -0.294 0.000 3.048 98 V HA 0.731 4.853 4.120 0.003 0.000 0.303 98 V C -0.913 175.096 176.094 -0.141 0.000 1.214 98 V CA -0.536 61.546 62.300 -0.365 0.000 0.984 98 V CB 2.424 33.747 31.823 -0.834 0.000 1.054 98 V HN 0.638 nan 8.190 nan 0.000 0.430 99 V N 5.067 124.949 119.914 -0.054 0.000 2.448 99 V HA 0.803 4.924 4.120 0.003 0.000 0.295 99 V C 0.095 176.257 176.094 0.115 0.000 1.025 99 V CA -0.004 62.310 62.300 0.023 0.000 0.859 99 V CB 1.802 33.604 31.823 -0.036 0.000 0.988 99 V HN 1.088 nan 8.190 nan 0.000 0.431 100 T N 1.045 115.724 114.554 0.209 0.000 2.906 100 T HA 0.982 5.334 4.350 0.003 0.000 0.295 100 T C -0.087 174.819 174.700 0.342 0.000 1.061 100 T CA -0.080 62.176 62.100 0.260 0.000 1.000 100 T CB 2.313 71.280 68.868 0.165 0.000 1.103 100 T HN 1.385 nan 8.240 nan 0.000 0.486 101 G N 0.465 109.486 108.800 0.367 0.000 2.367 101 G HA2 0.490 4.451 3.960 0.003 0.000 0.272 101 G HA3 0.490 4.451 3.960 0.003 0.000 0.272 101 G C -2.053 173.061 174.900 0.356 0.000 1.271 101 G CA -0.320 44.909 45.100 0.214 0.000 0.893 101 G HN 1.438 nan 8.290 nan 0.000 0.485 102 Y N -1.606 118.771 120.300 0.128 0.000 2.615 102 Y HA 0.914 5.466 4.550 0.002 0.000 0.341 102 Y C 0.353 176.363 175.900 0.184 0.000 1.089 102 Y CA -0.494 57.693 58.100 0.144 0.000 1.049 102 Y CB 1.489 39.984 38.460 0.060 0.000 1.296 102 Y HN 1.680 nan 8.280 nan 0.000 0.470 103 G N -0.074 108.915 108.800 0.315 0.000 2.510 103 G HA2 0.531 4.493 3.960 0.003 0.000 0.277 103 G HA3 0.531 4.493 3.960 0.003 0.000 0.277 103 G C -1.431 173.571 174.900 0.170 0.000 1.223 103 G CA -0.376 44.851 45.100 0.212 0.000 0.887 103 G HN 1.231 nan 8.290 nan 0.000 0.485 104 T N -1.870 112.749 114.554 0.109 0.000 2.900 104 T HA 0.760 5.112 4.350 0.003 0.000 0.295 104 T C -1.033 173.689 174.700 0.037 0.000 1.044 104 T CA -0.581 61.560 62.100 0.068 0.000 0.995 104 T CB 1.907 70.806 68.868 0.053 0.000 1.072 104 T HN 0.569 nan 8.240 nan 0.000 0.473 105 I N 2.153 122.733 120.570 0.017 0.000 2.447 105 I HA 0.304 4.475 4.170 0.003 0.000 0.287 105 I C -0.531 175.579 176.117 -0.012 0.000 1.023 105 I CA -0.664 60.634 61.300 -0.004 0.000 1.083 105 I CB 1.603 39.595 38.000 -0.015 0.000 1.245 105 I HN 0.786 nan 8.210 nan 0.000 0.434 106 D N 5.482 125.873 120.400 -0.015 0.000 2.701 106 D HA -0.210 4.432 4.640 0.003 0.000 0.235 106 D C 1.130 177.423 176.300 -0.012 0.000 1.155 106 D CA 1.618 55.607 54.000 -0.018 0.000 0.649 106 D CB -0.814 39.971 40.800 -0.026 0.000 1.050 106 D HN 1.162 nan 8.370 nan 0.000 0.425 107 G N -0.553 108.245 108.800 -0.003 0.000 2.179 107 G HA2 -0.375 3.587 3.960 0.003 0.000 0.260 107 G HA3 -0.375 3.587 3.960 0.003 0.000 0.260 107 G C 0.311 175.215 174.900 0.008 0.000 0.977 107 G CA 0.511 45.612 45.100 0.003 0.000 0.641 107 G HN 0.522 nan 8.290 nan 0.000 0.533 108 R N 0.694 121.198 120.500 0.006 0.000 2.514 108 R HA 0.502 4.843 4.340 0.003 0.000 0.301 108 R C -0.903 175.410 176.300 0.021 0.000 0.962 108 R CA -0.958 55.146 56.100 0.007 0.000 0.882 108 R CB 1.081 31.375 30.300 -0.009 0.000 1.143 108 R HN 0.100 nan 8.270 nan 0.000 0.452 109 D N 2.007 122.425 120.400 0.030 0.000 2.414 109 D HA 0.207 4.848 4.640 0.003 0.000 0.242 109 D C -0.077 176.253 176.300 0.050 0.000 1.129 109 D CA 0.172 54.206 54.000 0.057 0.000 0.885 109 D CB 1.207 42.034 40.800 0.044 0.000 1.198 109 D HN 0.239 nan 8.370 nan 0.000 0.437 110 V N -1.223 118.744 119.914 0.087 0.000 3.114 110 V HA 0.641 4.763 4.120 0.003 0.000 0.308 110 V C -0.515 175.663 176.094 0.141 0.000 1.168 110 V CA -0.947 61.400 62.300 0.078 0.000 1.015 110 V CB 1.647 33.499 31.823 0.048 0.000 1.050 110 V HN 0.612 nan 8.190 nan 0.000 0.433 111 C N 2.455 121.831 119.300 0.126 0.000 2.470 111 C HA 0.921 5.383 4.460 0.003 0.000 0.341 111 C C -0.154 174.920 174.990 0.140 0.000 1.190 111 C CA -0.430 58.696 59.018 0.181 0.000 1.904 111 C CB 0.866 28.705 27.740 0.164 0.000 2.354 111 C HN 1.058 nan 8.230 nan 0.000 0.509 112 I N 1.649 122.325 120.570 0.176 0.000 2.787 112 I HA 0.637 4.809 4.170 0.003 0.000 0.294 112 I C -1.557 174.661 176.117 0.168 0.000 1.365 112 I CA -0.532 60.809 61.300 0.069 0.000 1.029 112 I CB 1.427 39.433 38.000 0.011 0.000 1.313 112 I HN 0.806 nan 8.210 nan 0.000 0.431 113 F N 4.184 124.163 119.950 0.049 0.000 2.576 113 F HA 0.830 5.359 4.527 0.003 0.000 0.313 113 F C -0.993 174.793 175.800 -0.024 0.000 1.078 113 F CA -0.888 57.120 58.000 0.013 0.000 0.921 113 F CB 1.910 40.920 39.000 0.016 0.000 1.232 113 F HN 0.295 nan 8.300 nan 0.000 0.459 114 S N 2.213 118.001 115.700 0.148 0.000 2.789 114 S HA 0.319 4.791 4.470 0.003 0.000 0.286 114 S C -1.174 173.467 174.600 0.068 0.000 1.153 114 S CA -0.580 57.645 58.200 0.040 0.000 1.084 114 S CB 0.820 63.962 63.200 -0.096 0.000 1.036 114 S HN 0.796 nan 8.310 nan 0.000 0.484 115 Q N 2.432 122.315 119.800 0.138 0.000 2.332 115 Q HA 0.209 4.550 4.340 0.003 0.000 0.263 115 Q C -0.757 175.282 176.000 0.065 0.000 0.979 115 Q CA -0.096 55.752 55.803 0.076 0.000 0.885 115 Q CB 0.658 29.528 28.738 0.219 0.000 1.218 115 Q HN 0.508 nan 8.270 nan 0.000 0.405 116 D N 1.040 121.468 120.400 0.045 0.000 2.454 116 D HA 0.264 4.905 4.640 0.003 0.000 0.225 116 D C 0.041 176.394 176.300 0.087 0.000 1.081 116 D CA -0.360 53.667 54.000 0.046 0.000 0.864 116 D CB 1.211 42.016 40.800 0.008 0.000 1.040 116 D HN 0.617 nan 8.370 nan 0.000 0.517 117 A N 2.693 125.562 122.820 0.082 0.000 2.216 117 A HA -0.097 4.225 4.320 0.003 0.000 0.214 117 A C 1.868 179.486 177.584 0.056 0.000 1.160 117 A CA 1.531 53.620 52.037 0.087 0.000 0.725 117 A CB -0.498 18.551 19.000 0.082 0.000 0.784 117 A HN 0.598 nan 8.150 nan 0.000 0.472 118 T N -3.384 111.187 114.554 0.027 0.000 3.088 118 T HA 0.194 4.546 4.350 0.003 0.000 0.259 118 T C 0.328 174.996 174.700 -0.053 0.000 1.122 118 T CA 0.568 62.663 62.100 -0.009 0.000 1.095 118 T CB -0.311 68.544 68.868 -0.021 0.000 0.930 118 T HN 0.013 nan 8.240 nan 0.000 0.508 119 V N 2.647 122.541 119.914 -0.032 0.000 2.334 119 V HA 0.408 4.529 4.120 0.003 0.000 0.281 119 V C -0.270 175.824 176.094 0.000 0.000 1.016 119 V CA -1.126 61.093 62.300 -0.134 0.000 0.832 119 V CB -0.357 31.449 31.823 -0.029 0.000 0.999 119 V HN 0.490 nan 8.190 nan 0.000 0.439 120 F N 3.296 123.276 119.950 0.051 0.000 3.019 120 F HA -0.232 4.297 4.527 0.003 0.000 0.259 120 F C 1.680 177.494 175.800 0.023 0.000 0.976 120 F CA 1.078 59.093 58.000 0.025 0.000 0.876 120 F CB -1.789 37.210 39.000 -0.002 0.000 0.784 120 F HN 0.926 nan 8.300 nan 0.000 0.786 121 G N -1.033 107.850 108.800 0.138 0.000 2.203 121 G HA2 0.109 4.070 3.960 0.003 0.000 0.263 121 G HA3 0.109 4.070 3.960 0.003 0.000 0.263 121 G C 1.455 176.430 174.900 0.125 0.000 1.012 121 G CA 0.990 46.158 45.100 0.113 0.000 0.749 121 G HN 2.213 nan 8.290 nan 0.000 0.512 122 G N -1.672 107.227 108.800 0.165 0.000 2.180 122 G HA2 -0.130 3.831 3.960 0.003 0.000 0.263 122 G HA3 -0.130 3.831 3.960 0.003 0.000 0.263 122 G C 0.637 175.612 174.900 0.126 0.000 0.989 122 G CA 1.010 46.244 45.100 0.224 0.000 0.692 122 G HN 1.784 nan 8.290 nan 0.000 0.526 123 S N -0.392 115.324 115.700 0.027 0.000 2.549 123 S HA 0.373 4.844 4.470 0.003 0.000 0.286 123 S C 0.573 174.824 174.600 -0.581 0.000 1.314 123 S CA -0.237 57.850 58.200 -0.188 0.000 1.062 123 S CB 1.409 64.551 63.200 -0.097 0.000 0.865 123 S HN 0.721 nan 8.310 nan 0.000 0.498 124 L N 3.958 124.666 121.223 -0.859 0.000 2.360 124 L HA 0.558 4.900 4.340 0.003 0.000 0.276 124 L C 0.657 177.045 176.870 -0.804 0.000 1.121 124 L CA 0.102 54.121 54.840 -1.369 0.000 0.845 124 L CB 0.048 41.444 42.059 -1.106 0.000 1.143 124 L HN 0.681 nan 8.230 nan 0.000 0.452 125 G N 2.622 111.036 108.800 -0.643 0.000 2.667 125 G HA2 0.189 4.150 3.960 0.003 0.000 0.310 125 G HA3 0.189 4.150 3.960 0.003 0.000 0.310 125 G C 0.209 174.963 174.900 -0.245 0.000 1.259 125 G CA -0.099 44.784 45.100 -0.362 0.000 1.019 125 G HN 0.794 nan 8.290 nan 0.000 0.496 126 E N -1.099 118.999 120.200 -0.171 0.000 2.070 126 E HA -0.176 4.176 4.350 0.003 0.000 0.197 126 E C 2.305 178.882 176.600 -0.037 0.000 1.004 126 E CA 1.669 58.003 56.400 -0.110 0.000 0.805 126 E CB -0.057 29.594 29.700 -0.081 0.000 0.744 126 E HN 0.193 nan 8.360 nan 0.000 0.451 127 V N 0.421 120.345 119.914 0.017 0.000 2.323 127 V HA -0.220 3.902 4.120 0.003 0.000 0.244 127 V C 2.135 178.285 176.094 0.094 0.000 1.041 127 V CA 1.815 64.148 62.300 0.055 0.000 1.025 127 V CB -0.831 31.040 31.823 0.080 0.000 0.656 127 V HN 0.419 nan 8.190 nan 0.000 0.451 128 Y N 2.281 122.557 120.300 -0.040 0.000 2.096 128 Y HA -0.301 4.251 4.550 0.004 0.000 0.278 128 Y C 2.286 178.116 175.900 -0.117 0.000 1.192 128 Y CA 1.871 59.935 58.100 -0.060 0.000 1.143 128 Y CB -1.028 37.394 38.460 -0.063 0.000 0.963 128 Y HN 0.192 nan 8.280 nan 0.000 0.505 129 G N -0.710 108.189 108.800 0.164 0.000 2.402 129 G HA2 -0.212 3.749 3.960 0.003 0.000 0.216 129 G HA3 -0.212 3.749 3.960 0.003 0.000 0.216 129 G C 1.537 176.419 174.900 -0.029 0.000 1.162 129 G CA 0.767 45.876 45.100 0.015 0.000 0.777 129 G HN 0.521 nan 8.290 nan 0.000 0.539 130 E N 0.404 120.593 120.200 -0.018 0.000 2.085 130 E HA -0.137 4.215 4.350 0.003 0.000 0.194 130 E C 2.516 179.108 176.600 -0.014 0.000 0.994 130 E CA 0.992 57.382 56.400 -0.018 0.000 0.801 130 E CB -0.065 29.631 29.700 -0.007 0.000 0.743 130 E HN 0.388 nan 8.360 nan 0.000 0.453 131 K N 0.365 120.757 120.400 -0.012 0.000 2.057 131 K HA -0.122 4.199 4.320 0.003 0.000 0.207 131 K C 2.154 178.732 176.600 -0.036 0.000 1.049 131 K CA 1.054 57.331 56.287 -0.017 0.000 0.931 131 K CB -0.095 32.386 32.500 -0.031 0.000 0.714 131 K HN 0.159 nan 8.250 nan 0.000 0.440 132 I N 0.643 121.144 120.570 -0.116 0.000 2.252 132 I HA -0.238 3.933 4.170 0.003 0.000 0.245 132 I C 2.193 178.259 176.117 -0.086 0.000 1.102 132 I CA 0.883 62.050 61.300 -0.222 0.000 1.385 132 I CB -0.221 37.480 38.000 -0.499 0.000 1.064 132 I HN -0.070 nan 8.210 nan 0.000 0.414 133 V N 1.324 121.205 119.914 -0.056 0.000 2.343 133 V HA -0.321 3.800 4.120 0.003 0.000 0.247 133 V C 2.555 178.660 176.094 0.018 0.000 1.051 133 V CA 2.069 64.360 62.300 -0.014 0.000 1.036 133 V CB -0.742 31.069 31.823 -0.021 0.000 0.654 133 V HN 0.450 nan 8.190 nan 0.000 0.451 134 K N 0.009 120.421 120.400 0.019 0.000 2.009 134 K HA -0.204 4.118 4.320 0.003 0.000 0.210 134 K C 2.207 178.846 176.600 0.065 0.000 1.049 134 K CA 2.085 58.394 56.287 0.037 0.000 0.929 134 K CB -0.438 32.084 32.500 0.037 0.000 0.714 134 K HN 0.283 nan 8.250 nan 0.000 0.440 135 V N 1.309 121.280 119.914 0.095 0.000 2.427 135 V HA -0.231 3.891 4.120 0.003 0.000 0.248 135 V C 2.098 178.279 176.094 0.145 0.000 1.051 135 V CA 1.723 64.110 62.300 0.145 0.000 1.048 135 V CB -0.299 31.656 31.823 0.221 0.000 0.666 135 V HN 0.466 nan 8.190 nan 0.000 0.456 136 Q N -0.369 119.514 119.800 0.138 0.000 2.061 136 Q HA -0.284 4.057 4.340 0.003 0.000 0.204 136 Q C 2.219 178.271 176.000 0.088 0.000 0.984 136 Q CA 2.404 58.284 55.803 0.129 0.000 0.846 136 Q CB -0.220 28.584 28.738 0.111 0.000 0.902 136 Q HN 0.726 nan 8.270 nan 0.000 0.421 137 E N 0.273 120.512 120.200 0.064 0.000 2.110 137 E HA -0.195 4.156 4.350 0.003 0.000 0.193 137 E C 1.961 178.583 176.600 0.036 0.000 0.988 137 E CA 0.707 57.134 56.400 0.045 0.000 0.804 137 E CB -0.064 29.655 29.700 0.032 0.000 0.745 137 E HN 0.155 nan 8.360 nan 0.000 0.458 138 L N 0.766 122.012 121.223 0.039 0.000 2.093 138 L HA -0.107 4.234 4.340 0.003 0.000 0.208 138 L C 2.145 179.025 176.870 0.017 0.000 1.085 138 L CA 1.841 56.690 54.840 0.015 0.000 0.755 138 L CB -0.486 41.584 42.059 0.017 0.000 0.904 138 L HN 0.023 nan 8.230 nan 0.000 0.435 139 A N -0.495 122.356 122.820 0.051 0.000 1.897 139 A HA -0.120 4.202 4.320 0.003 0.000 0.215 139 A C 2.239 179.850 177.584 0.045 0.000 1.181 139 A CA 1.787 53.855 52.037 0.052 0.000 0.620 139 A CB -0.758 18.292 19.000 0.083 0.000 0.821 139 A HN 0.461 nan 8.150 nan 0.000 0.443 140 I N 0.087 120.689 120.570 0.053 0.000 2.226 140 I HA -0.280 3.892 4.170 0.003 0.000 0.245 140 I C 2.555 178.692 176.117 0.033 0.000 1.100 140 I CA 1.932 63.263 61.300 0.051 0.000 1.374 140 I CB -0.201 37.832 38.000 0.055 0.000 1.057 140 I HN 0.459 nan 8.210 nan 0.000 0.413 141 K N 1.084 121.497 120.400 0.020 0.000 2.103 141 K HA -0.150 4.172 4.320 0.003 0.000 0.204 141 K C 1.956 178.554 176.600 -0.004 0.000 1.052 141 K CA 1.947 58.238 56.287 0.007 0.000 0.945 141 K CB -0.226 32.273 32.500 -0.001 0.000 0.722 141 K HN 0.397 nan 8.250 nan 0.000 0.443 142 T N -2.877 111.670 114.554 -0.012 0.000 3.088 142 T HA 0.158 4.510 4.350 0.003 0.000 0.259 142 T C 1.207 175.904 174.700 -0.005 0.000 1.122 142 T CA 0.418 62.504 62.100 -0.023 0.000 1.095 142 T CB -0.171 68.665 68.868 -0.054 0.000 0.930 142 T HN 0.421 nan 8.240 nan 0.000 0.508 143 G N 2.180 110.988 108.800 0.013 0.000 2.295 143 G HA2 -0.214 3.747 3.960 0.003 0.000 0.287 143 G HA3 -0.214 3.747 3.960 0.003 0.000 0.287 143 G C -0.147 174.764 174.900 0.019 0.000 1.055 143 G CA -0.319 44.796 45.100 0.026 0.000 0.922 143 G HN 0.586 nan 8.290 nan 0.000 0.503 144 R N -0.586 119.923 120.500 0.015 0.000 2.778 144 R HA 0.553 4.895 4.340 0.003 0.000 0.277 144 R C -2.485 173.821 176.300 0.009 0.000 0.977 144 R CA -2.556 53.548 56.100 0.006 0.000 0.950 144 R CB 0.898 31.202 30.300 0.007 0.000 1.165 144 R HN 0.042 nan 8.270 nan 0.000 0.474 145 P HA 0.011 nan 4.420 nan 0.000 0.268 145 P C -0.606 176.706 177.300 0.020 0.000 1.208 145 P CA -0.252 62.833 63.100 -0.024 0.000 0.777 145 P CB 0.461 32.126 31.700 -0.058 0.000 0.875 146 L N 3.745 124.989 121.223 0.034 0.000 2.325 146 L HA 0.444 4.785 4.340 0.003 0.000 0.281 146 L C -1.169 175.710 176.870 0.015 0.000 1.004 146 L CA -0.310 54.568 54.840 0.063 0.000 0.823 146 L CB 0.614 42.744 42.059 0.118 0.000 1.236 146 L HN 0.122 nan 8.230 nan 0.000 0.415 147 I N 4.978 125.524 120.570 -0.040 0.000 2.312 147 I HA 0.488 4.659 4.170 0.003 0.000 0.290 147 I C 0.729 176.609 176.117 -0.395 0.000 1.008 147 I CA -0.401 60.822 61.300 -0.128 0.000 1.226 147 I CB 0.801 38.746 38.000 -0.092 0.000 1.371 147 I HN 0.750 nan 8.210 nan 0.000 0.468 148 G N 7.249 115.735 108.800 -0.523 0.000 2.368 148 G HA2 0.693 4.654 3.960 0.003 0.000 0.320 148 G HA3 0.693 4.654 3.960 0.003 0.000 0.320 148 G C -0.499 174.032 174.900 -0.615 0.000 1.158 148 G CA -0.433 43.889 45.100 -1.297 0.000 0.912 148 G HN 0.514 nan 8.290 nan 0.000 0.456 149 I N 2.195 122.437 120.570 -0.548 0.000 2.330 149 I HA 0.205 4.376 4.170 0.003 0.000 0.289 149 I C -0.750 175.413 176.117 0.076 0.000 1.001 149 I CA -0.836 60.393 61.300 -0.118 0.000 1.193 149 I CB 1.446 39.416 38.000 -0.051 0.000 1.345 149 I HN 0.346 nan 8.210 nan 0.000 0.461 150 N N 5.173 123.960 118.700 0.146 0.000 2.400 150 N HA 0.516 5.257 4.740 0.003 0.000 0.288 150 N C -1.069 174.570 175.510 0.214 0.000 1.024 150 N CA -0.616 52.599 53.050 0.273 0.000 0.894 150 N CB 1.363 40.022 38.487 0.286 0.000 1.173 150 N HN 0.444 nan 8.380 nan 0.000 0.487 151 D N 1.087 121.643 120.400 0.260 0.000 2.362 151 D HA 0.449 5.091 4.640 0.003 0.000 0.228 151 D C -1.191 175.233 176.300 0.207 0.000 1.326 151 D CA -0.223 53.893 54.000 0.192 0.000 0.927 151 D CB 0.227 41.108 40.800 0.134 0.000 1.501 151 D HN 0.676 nan 8.370 nan 0.000 0.519 152 G N 0.435 109.370 108.800 0.226 0.000 2.519 152 G HA2 0.541 4.503 3.960 0.003 0.000 0.292 152 G HA3 0.541 4.503 3.960 0.003 0.000 0.292 152 G C -0.262 174.743 174.900 0.174 0.000 1.507 152 G CA -0.142 45.045 45.100 0.145 0.000 0.806 152 G HN 0.388 nan 8.290 nan 0.000 0.523 153 A N -0.345 122.538 122.820 0.105 0.000 2.291 153 A HA 0.644 4.966 4.320 0.003 0.000 0.220 153 A C 1.527 179.186 177.584 0.126 0.000 1.262 153 A CA 1.474 53.582 52.037 0.117 0.000 0.867 153 A CB -0.973 18.086 19.000 0.099 0.000 0.888 153 A HN 2.760 nan 8.150 nan 0.000 0.487 154 G N -1.634 107.239 108.800 0.122 0.000 2.526 154 G HA2 0.394 4.355 3.960 0.003 0.000 0.250 154 G HA3 0.394 4.355 3.960 0.003 0.000 0.250 154 G C 0.056 175.024 174.900 0.113 0.000 1.289 154 G CA -0.404 44.832 45.100 0.227 0.000 0.947 154 G HN 1.579 nan 8.290 nan 0.000 0.517 155 A N -0.131 122.796 122.820 0.179 0.000 2.440 155 A HA 0.633 4.955 4.320 0.003 0.000 0.251 155 A C 0.987 178.502 177.584 -0.114 0.000 1.089 155 A CA 0.499 52.522 52.037 -0.025 0.000 0.779 155 A CB 0.223 19.256 19.000 0.055 0.000 1.022 155 A HN 0.888 nan 8.150 nan 0.000 0.492 156 R N 2.924 123.283 120.500 -0.236 0.000 2.459 156 R HA 0.141 4.483 4.340 0.003 0.000 0.301 156 R C 0.701 176.894 176.300 -0.178 0.000 1.286 156 R CA -0.102 55.859 56.100 -0.231 0.000 1.046 156 R CB -0.433 29.654 30.300 -0.354 0.000 1.071 156 R HN 0.830 nan 8.270 nan 0.000 0.512 157 I N 2.401 122.904 120.570 -0.112 0.000 2.185 157 I HA -0.396 3.776 4.170 0.003 0.000 0.246 157 I C 1.810 177.898 176.117 -0.048 0.000 1.088 157 I CA 1.380 62.636 61.300 -0.074 0.000 1.347 157 I CB -0.153 37.802 38.000 -0.075 0.000 1.041 157 I HN 0.563 nan 8.210 nan 0.000 0.415 158 Q N 0.843 120.605 119.800 -0.063 0.000 2.135 158 Q HA -0.221 4.121 4.340 0.003 0.000 0.204 158 Q C 2.080 178.126 176.000 0.077 0.000 0.981 158 Q CA 1.588 57.449 55.803 0.097 0.000 0.856 158 Q CB -0.248 28.501 28.738 0.019 0.000 0.902 158 Q HN 0.525 nan 8.270 nan 0.000 0.425 159 E N -0.614 119.531 120.200 -0.091 0.000 2.150 159 E HA 0.007 4.358 4.350 0.003 0.000 0.193 159 E C 0.934 177.492 176.600 -0.069 0.000 0.985 159 E CA 0.566 56.892 56.400 -0.123 0.000 0.814 159 E CB -0.036 29.541 29.700 -0.206 0.000 0.752 159 E HN 0.375 nan 8.360 nan 0.000 0.466 160 G N 0.257 109.030 108.800 -0.044 0.000 2.545 160 G HA2 -0.304 3.657 3.960 0.003 0.000 0.216 160 G HA3 -0.304 3.657 3.960 0.003 0.000 0.216 160 G C 0.558 175.432 174.900 -0.043 0.000 1.314 160 G CA -0.200 44.890 45.100 -0.016 0.000 0.906 160 G HN 0.170 nan 8.290 nan 0.000 0.563 161 V N 0.394 120.293 119.914 -0.025 0.000 2.594 161 V HA -0.058 4.063 4.120 0.003 0.000 0.253 161 V C 3.028 179.091 176.094 -0.051 0.000 1.069 161 V CA 3.031 65.318 62.300 -0.023 0.000 1.082 161 V CB -0.228 31.592 31.823 -0.005 0.000 0.680 161 V HN 1.632 nan 8.190 nan 0.000 0.469 162 V N 0.961 120.835 119.914 -0.068 0.000 2.453 162 V HA -0.250 3.872 4.120 0.003 0.000 0.252 162 V C 2.680 178.687 176.094 -0.145 0.000 1.068 162 V CA 2.952 65.197 62.300 -0.090 0.000 1.070 162 V CB -0.426 31.345 31.823 -0.086 0.000 0.664 162 V HN 0.918 nan 8.190 nan 0.000 0.461 163 S N -0.403 115.185 115.700 -0.186 0.000 2.406 163 S HA -0.091 4.381 4.470 0.003 0.000 0.228 163 S C 1.888 176.271 174.600 -0.362 0.000 1.020 163 S CA 1.616 59.616 58.200 -0.334 0.000 0.965 163 S CB -0.573 62.404 63.200 -0.371 0.000 0.798 163 S HN 0.598 nan 8.310 nan 0.000 0.488 164 L N 1.449 122.590 121.223 -0.136 0.000 2.056 164 L HA 0.061 4.403 4.340 0.003 0.000 0.207 164 L C 3.035 179.896 176.870 -0.015 0.000 1.078 164 L CA 1.173 56.027 54.840 0.024 0.000 0.749 164 L CB -1.492 40.616 42.059 0.083 0.000 0.901 164 L HN 0.511 nan 8.230 nan 0.000 0.433 165 G N 0.435 109.202 108.800 -0.056 0.000 2.440 165 G HA2 -0.217 3.744 3.960 0.003 0.000 0.218 165 G HA3 -0.217 3.744 3.960 0.003 0.000 0.218 165 G C 1.587 176.427 174.900 -0.100 0.000 1.154 165 G CA 0.394 45.459 45.100 -0.059 0.000 0.767 165 G HN 0.107 nan 8.290 nan 0.000 0.552 166 L N -0.618 120.509 121.223 -0.159 0.000 2.056 166 L HA 0.014 4.355 4.340 0.003 0.000 0.207 166 L C 2.681 179.415 176.870 -0.227 0.000 1.078 166 L CA 1.191 55.916 54.840 -0.191 0.000 0.749 166 L CB -1.255 40.669 42.059 -0.225 0.000 0.901 166 L HN 0.192 nan 8.230 nan 0.000 0.433 167 Y N 0.693 120.789 120.300 -0.340 0.000 2.081 167 Y HA -0.262 4.289 4.550 0.002 0.000 0.280 167 Y C 3.048 178.304 175.900 -1.074 0.000 1.163 167 Y CA 1.374 59.064 58.100 -0.684 0.000 1.135 167 Y CB -1.038 37.138 38.460 -0.474 0.000 0.970 167 Y HN 0.149 nan 8.280 nan 0.000 0.498 168 S N -0.334 115.144 115.700 -0.369 0.000 2.370 168 S HA -0.202 4.269 4.470 0.003 0.000 0.226 168 S C 2.123 176.651 174.600 -0.120 0.000 1.033 168 S CA 1.188 59.285 58.200 -0.172 0.000 1.011 168 S CB -0.218 62.980 63.200 -0.002 0.000 0.852 168 S HN 0.391 nan 8.310 nan 0.000 0.457 169 R N 0.429 120.857 120.500 -0.119 0.000 2.096 169 R HA -0.023 4.319 4.340 0.003 0.000 0.235 169 R C 2.208 178.480 176.300 -0.045 0.000 1.127 169 R CA 1.210 57.274 56.100 -0.059 0.000 0.968 169 R CB -0.595 29.669 30.300 -0.060 0.000 0.861 169 R HN 0.437 nan 8.270 nan 0.000 0.440 170 I N 0.132 120.631 120.570 -0.118 0.000 2.202 170 I HA -0.268 3.903 4.170 0.003 0.000 0.242 170 I C 1.958 178.144 176.117 0.116 0.000 1.091 170 I CA 1.189 62.465 61.300 -0.041 0.000 1.368 170 I CB -0.331 37.619 38.000 -0.083 0.000 1.058 170 I HN -0.023 nan 8.210 nan 0.000 0.410 171 F N 0.936 120.942 119.950 0.094 0.000 2.069 171 F HA -0.217 4.311 4.527 0.002 0.000 0.298 171 F C 2.689 178.517 175.800 0.045 0.000 1.113 171 F CA 1.328 59.369 58.000 0.068 0.000 1.214 171 F CB -1.317 37.706 39.000 0.039 0.000 0.978 171 F HN -0.013 nan 8.300 nan 0.000 0.474 172 R N 0.462 121.092 120.500 0.217 0.000 2.091 172 R HA -0.180 4.161 4.340 0.003 0.000 0.238 172 R C 2.006 178.366 176.300 0.100 0.000 1.136 172 R CA 1.607 57.781 56.100 0.124 0.000 0.959 172 R CB -0.274 30.073 30.300 0.078 0.000 0.856 172 R HN 0.214 nan 8.270 nan 0.000 0.437 173 N N 0.594 119.353 118.700 0.099 0.000 2.244 173 N HA -0.127 4.615 4.740 0.003 0.000 0.183 173 N C 1.161 176.740 175.510 0.116 0.000 1.016 173 N CA 1.293 54.399 53.050 0.093 0.000 0.866 173 N CB -0.398 38.140 38.487 0.084 0.000 0.980 173 N HN 0.392 nan 8.380 nan 0.000 0.430 174 N N 0.306 119.097 118.700 0.152 0.000 2.188 174 N HA 0.009 4.750 4.740 0.003 0.000 0.184 174 N C 1.641 177.216 175.510 0.108 0.000 1.018 174 N CA 0.638 53.780 53.050 0.153 0.000 0.858 174 N CB 0.069 38.672 38.487 0.194 0.000 0.989 174 N HN 0.188 nan 8.380 nan 0.000 0.426 175 I N 0.031 120.656 120.570 0.092 0.000 2.277 175 I HA -0.168 4.004 4.170 0.003 0.000 0.243 175 I C 2.078 178.221 176.117 0.044 0.000 1.094 175 I CA 0.396 61.726 61.300 0.051 0.000 1.393 175 I CB -0.152 37.868 38.000 0.034 0.000 1.078 175 I HN 0.131 nan 8.210 nan 0.000 0.417 176 L N 1.413 122.668 121.223 0.053 0.000 2.021 176 L HA -0.235 4.106 4.340 0.003 0.000 0.215 176 L C 2.381 179.286 176.870 0.059 0.000 1.074 176 L CA 2.377 57.247 54.840 0.049 0.000 0.760 176 L CB -0.747 41.343 42.059 0.051 0.000 0.889 176 L HN 0.227 nan 8.230 nan 0.000 0.433 177 A N -1.628 121.238 122.820 0.078 0.000 2.167 177 A HA 0.013 4.335 4.320 0.003 0.000 0.214 177 A C 1.544 179.193 177.584 0.108 0.000 1.151 177 A CA 0.750 52.845 52.037 0.096 0.000 0.735 177 A CB -0.729 18.338 19.000 0.111 0.000 0.802 177 A HN 0.451 nan 8.150 nan 0.000 0.467 178 S N -0.164 115.585 115.700 0.081 0.000 2.546 178 S HA 0.366 4.838 4.470 0.003 0.000 0.290 178 S C 1.431 176.052 174.600 0.035 0.000 1.262 178 S CA 0.849 59.090 58.200 0.068 0.000 1.083 178 S CB -0.298 62.918 63.200 0.027 0.000 0.859 178 S HN 1.806 nan 8.310 nan 0.000 0.495 179 G N 3.070 111.899 108.800 0.048 0.000 2.184 179 G HA2 -0.252 3.710 3.960 0.003 0.000 0.264 179 G HA3 -0.252 3.710 3.960 0.003 0.000 0.264 179 G C 0.625 175.438 174.900 -0.145 0.000 0.975 179 G CA 0.443 45.420 45.100 -0.205 0.000 0.642 179 G HN 0.821 nan 8.290 nan 0.000 0.536 180 V N 0.449 120.453 119.914 0.150 0.000 2.627 180 V HA 0.391 4.513 4.120 0.003 0.000 0.239 180 V C 1.287 177.597 176.094 0.359 0.000 1.077 180 V CA 1.732 64.146 62.300 0.189 0.000 1.103 180 V CB 0.023 31.912 31.823 0.111 0.000 0.802 180 V HN 0.704 nan 8.190 nan 0.000 0.482 181 I N -1.983 118.781 120.570 0.323 0.000 2.569 181 I HA 0.603 4.775 4.170 0.003 0.000 0.296 181 I C -3.036 173.128 176.117 0.078 0.000 1.028 181 I CA -2.811 58.597 61.300 0.181 0.000 1.082 181 I CB 1.896 39.950 38.000 0.090 0.000 1.264 181 I HN -0.065 nan 8.210 nan 0.000 0.429 182 P HA 0.105 nan 4.420 nan 0.000 0.263 182 P C -1.297 175.964 177.300 -0.065 0.000 1.195 182 P CA 0.205 63.054 63.100 -0.418 0.000 0.762 182 P CB 0.387 31.773 31.700 -0.523 0.000 0.799 183 Q N 2.849 122.673 119.800 0.040 0.000 2.357 183 Q HA 0.509 4.851 4.340 0.003 0.000 0.266 183 Q C -0.557 175.510 176.000 0.111 0.000 1.021 183 Q CA -0.371 55.482 55.803 0.084 0.000 0.784 183 Q CB 1.433 30.238 28.738 0.113 0.000 1.243 183 Q HN 0.437 nan 8.270 nan 0.000 0.465 184 I N 1.380 122.011 120.570 0.101 0.000 2.433 184 I HA 0.346 4.518 4.170 0.003 0.000 0.292 184 I C -0.365 175.799 176.117 0.079 0.000 1.001 184 I CA -0.561 60.823 61.300 0.139 0.000 1.119 184 I CB 2.093 40.168 38.000 0.126 0.000 1.289 184 I HN 0.413 nan 8.210 nan 0.000 0.438 185 S N 7.007 122.775 115.700 0.112 0.000 2.474 185 S HA 0.549 5.021 4.470 0.003 0.000 0.321 185 S C -0.406 174.245 174.600 0.084 0.000 1.080 185 S CA -0.554 57.691 58.200 0.075 0.000 1.106 185 S CB 1.005 64.267 63.200 0.105 0.000 0.984 185 S HN 0.353 nan 8.310 nan 0.000 0.464 186 L N 4.471 125.722 121.223 0.048 0.000 2.264 186 L HA 0.458 4.800 4.340 0.003 0.000 0.289 186 L C -0.565 176.336 176.870 0.053 0.000 1.044 186 L CA -0.512 54.365 54.840 0.062 0.000 0.807 186 L CB 0.613 42.715 42.059 0.072 0.000 1.192 186 L HN 0.472 nan 8.230 nan 0.000 0.425 187 I N 5.179 125.776 120.570 0.044 0.000 2.312 187 I HA 0.255 4.426 4.170 0.003 0.000 0.290 187 I C 0.416 176.548 176.117 0.025 0.000 1.008 187 I CA -0.011 61.310 61.300 0.035 0.000 1.226 187 I CB 1.337 39.340 38.000 0.005 0.000 1.371 187 I HN 0.817 nan 8.210 nan 0.000 0.468 188 M N 4.402 124.027 119.600 0.041 0.000 2.414 188 M HA 0.356 4.838 4.480 0.003 0.000 0.357 188 M C 0.556 176.882 176.300 0.044 0.000 1.059 188 M CA -0.088 55.230 55.300 0.031 0.000 0.959 188 M CB 1.705 34.332 32.600 0.044 0.000 1.522 188 M HN 0.737 nan 8.290 nan 0.000 0.551 189 G N 0.428 109.258 108.800 0.051 0.000 2.619 189 G HA2 0.669 4.631 3.960 0.003 0.000 0.305 189 G HA3 0.669 4.631 3.960 0.003 0.000 0.305 189 G C -1.680 173.247 174.900 0.045 0.000 1.330 189 G CA -0.600 44.534 45.100 0.056 0.000 0.789 189 G HN 0.118 nan 8.290 nan 0.000 0.487 190 A N -0.384 122.468 122.820 0.053 0.000 2.476 190 A HA 0.601 4.922 4.320 0.003 0.000 0.275 190 A C 0.639 178.188 177.584 -0.058 0.000 1.133 190 A CA 0.733 52.778 52.037 0.013 0.000 0.797 190 A CB -0.462 18.595 19.000 0.095 0.000 1.081 190 A HN 1.999 nan 8.150 nan 0.000 0.510 191 A N 3.029 125.732 122.820 -0.194 0.000 2.273 191 A HA 0.684 5.006 4.320 0.003 0.000 0.320 191 A C 0.319 177.567 177.584 -0.561 0.000 1.358 191 A CA 0.233 52.147 52.037 -0.205 0.000 0.910 191 A CB 0.181 19.066 19.000 -0.190 0.000 1.159 191 A HN 1.891 nan 8.150 nan 0.000 0.526 192 A N 2.224 124.832 122.820 -0.354 0.000 2.355 192 A HA 0.956 5.277 4.320 0.003 0.000 0.324 192 A C 0.719 178.231 177.584 -0.120 0.000 1.117 192 A CA 0.217 51.974 52.037 -0.467 0.000 0.785 192 A CB 0.821 19.669 19.000 -0.254 0.000 1.254 192 A HN 2.775 nan 8.150 nan 0.000 0.453 193 G N 0.712 109.441 108.800 -0.117 0.000 2.499 193 G HA2 0.175 4.137 3.960 0.003 0.000 0.232 193 G HA3 0.175 4.137 3.960 0.003 0.000 0.232 193 G C 1.107 175.936 174.900 -0.119 0.000 1.251 193 G CA 0.471 45.567 45.100 -0.007 0.000 0.917 193 G HN 1.930 nan 8.290 nan 0.000 0.580 194 G N -0.657 108.105 108.800 -0.064 0.000 2.422 194 G HA2 -0.006 3.956 3.960 0.003 0.000 0.218 194 G HA3 -0.006 3.956 3.960 0.003 0.000 0.218 194 G C 1.380 176.136 174.900 -0.240 0.000 1.146 194 G CA 2.104 47.096 45.100 -0.179 0.000 0.769 194 G HN 1.736 nan 8.290 nan 0.000 0.547 195 H N -0.126 118.649 119.070 -0.491 0.000 2.521 195 H HA 0.093 4.650 4.556 0.002 0.000 0.286 195 H C 2.246 177.575 175.328 0.002 0.000 1.034 195 H CA 0.961 56.892 56.048 -0.196 0.000 1.278 195 H CB -0.438 29.361 29.762 0.062 0.000 1.386 195 H HN 0.233 nan 8.280 nan 0.000 0.567 196 V N -1.628 117.944 119.914 -0.570 0.000 2.828 196 V HA -0.285 3.836 4.120 0.003 0.000 0.260 196 V C 1.600 177.476 176.094 -0.363 0.000 1.101 196 V CA 1.317 63.315 62.300 -0.504 0.000 1.123 196 V CB -1.304 30.166 31.823 -0.588 0.000 0.704 196 V HN 0.307 nan 8.190 nan 0.000 0.493 197 Y N 1.227 121.354 120.300 -0.288 0.000 2.263 197 Y HA -0.036 4.516 4.550 0.002 0.000 0.292 197 Y C 3.104 178.825 175.900 -0.299 0.000 1.130 197 Y CA 1.185 59.013 58.100 -0.454 0.000 1.179 197 Y CB -0.900 36.984 38.460 -0.960 0.000 0.998 197 Y HN 0.386 nan 8.280 nan 0.000 0.532 198 S N 0.146 115.942 115.700 0.159 0.000 2.359 198 S HA -0.166 4.305 4.470 0.003 0.000 0.222 198 S C -0.399 174.312 174.600 0.185 0.000 1.038 198 S CA 1.872 60.261 58.200 0.314 0.000 1.051 198 S CB -1.233 62.261 63.200 0.489 0.000 0.944 198 S HN 0.184 nan 8.310 nan 0.000 0.433 199 P HA -0.104 nan 4.420 nan 0.000 0.216 199 P C 1.537 178.865 177.300 0.048 0.000 1.154 199 P CA 1.870 65.021 63.100 0.084 0.000 0.865 199 P CB -0.340 31.370 31.700 0.016 0.000 0.789 200 A N -0.883 121.936 122.820 -0.001 0.000 1.940 200 A HA -0.175 4.147 4.320 0.003 0.000 0.219 200 A C 2.145 179.741 177.584 0.019 0.000 1.176 200 A CA 1.522 53.557 52.037 -0.003 0.000 0.631 200 A CB -1.646 17.351 19.000 -0.004 0.000 0.814 200 A HN 0.162 nan 8.150 nan 0.000 0.446 201 L N 0.235 121.475 121.223 0.029 0.000 2.395 201 L HA -0.008 4.334 4.340 0.003 0.000 0.218 201 L C 1.703 178.603 176.870 0.050 0.000 1.130 201 L CA 0.678 55.535 54.840 0.030 0.000 0.826 201 L CB -0.766 41.319 42.059 0.043 0.000 0.941 201 L HN 0.576 nan 8.230 nan 0.000 0.451 202 T N -4.350 110.245 114.554 0.067 0.000 2.770 202 T HA 0.065 4.417 4.350 0.003 0.000 0.281 202 T C 0.795 175.486 174.700 -0.015 0.000 0.981 202 T CA -0.607 61.531 62.100 0.064 0.000 0.955 202 T CB 1.033 69.962 68.868 0.103 0.000 1.060 202 T HN -0.014 nan 8.240 nan 0.000 0.531 203 D N -0.450 119.897 120.400 -0.088 0.000 2.183 203 D HA 0.122 4.763 4.640 0.003 0.000 0.205 203 D C -0.212 175.583 176.300 -0.841 0.000 0.962 203 D CA 1.079 54.831 54.000 -0.413 0.000 0.849 203 D CB 0.022 40.571 40.800 -0.419 0.000 0.978 203 D HN 0.474 nan 8.370 nan 0.000 0.488 204 F N 0.326 120.226 119.950 -0.084 0.000 2.557 204 F HA 0.305 4.834 4.527 0.003 0.000 0.316 204 F C -0.381 175.474 175.800 0.091 0.000 1.141 204 F CA -1.025 56.849 58.000 -0.210 0.000 0.922 204 F CB 2.073 41.012 39.000 -0.101 0.000 1.194 204 F HN -0.432 nan 8.300 nan 0.000 0.443 205 V N 5.374 125.599 119.914 0.518 0.000 2.350 205 V HA 0.430 4.551 4.120 0.003 0.000 0.276 205 V C -0.327 175.937 176.094 0.283 0.000 1.028 205 V CA -0.521 61.973 62.300 0.324 0.000 0.860 205 V CB 1.158 33.100 31.823 0.200 0.000 0.990 205 V HN 0.398 nan 8.190 nan 0.000 0.453 206 I N 6.180 126.865 120.570 0.191 0.000 2.354 206 I HA 0.495 4.666 4.170 0.003 0.000 0.286 206 I C 0.020 176.176 176.117 0.064 0.000 1.007 206 I CA -0.492 60.893 61.300 0.142 0.000 1.167 206 I CB 1.186 39.290 38.000 0.174 0.000 1.320 206 I HN 0.501 nan 8.210 nan 0.000 0.458 207 M N 5.054 124.659 119.600 0.008 0.000 2.528 207 M HA 0.568 5.050 4.480 0.003 0.000 0.318 207 M C -0.372 175.887 176.300 -0.068 0.000 1.195 207 M CA -1.038 54.250 55.300 -0.021 0.000 1.000 207 M CB 2.575 35.168 32.600 -0.011 0.000 1.615 207 M HN 0.143 nan 8.290 nan 0.000 0.469 208 V N 0.857 120.736 119.914 -0.059 0.000 2.427 208 V HA 0.140 4.262 4.120 0.003 0.000 0.286 208 V C -0.375 175.677 176.094 -0.071 0.000 1.034 208 V CA -0.685 61.563 62.300 -0.086 0.000 0.893 208 V CB 1.402 33.174 31.823 -0.085 0.000 0.982 208 V HN 0.756 nan 8.190 nan 0.000 0.452 209 D N 4.135 124.477 120.400 -0.096 0.000 2.493 209 D HA 0.100 4.741 4.640 0.003 0.000 0.240 209 D C 1.040 177.312 176.300 -0.046 0.000 1.142 209 D CA 0.784 54.739 54.000 -0.075 0.000 0.872 209 D CB 0.567 41.306 40.800 -0.101 0.000 1.173 209 D HN 0.644 nan 8.370 nan 0.000 0.467 210 Q N 1.413 121.198 119.800 -0.026 0.000 2.374 210 Q HA -0.280 4.062 4.340 0.003 0.000 0.154 210 Q C 1.211 177.215 176.000 0.007 0.000 1.717 210 Q CA 2.177 57.974 55.803 -0.010 0.000 1.142 210 Q CB -1.839 26.887 28.738 -0.020 0.000 1.099 210 Q HN 0.602 nan 8.270 nan 0.000 0.912 211 T N 0.315 114.869 114.554 0.001 0.000 3.040 211 T HA 0.131 4.483 4.350 0.003 0.000 0.250 211 T C 0.363 175.077 174.700 0.025 0.000 1.058 211 T CA 0.767 62.875 62.100 0.013 0.000 0.988 211 T CB 0.243 69.110 68.868 -0.001 0.000 0.993 211 T HN 0.482 nan 8.240 nan 0.000 0.519 212 S N 0.698 116.411 115.700 0.022 0.000 2.542 212 S HA 0.832 5.304 4.470 0.003 0.000 0.293 212 S C -1.320 173.313 174.600 0.055 0.000 1.089 212 S CA -0.807 57.412 58.200 0.031 0.000 0.961 212 S CB 2.549 65.757 63.200 0.014 0.000 1.062 212 S HN 0.110 nan 8.310 nan 0.000 0.483 213 Q N 0.929 120.763 119.800 0.058 0.000 2.416 213 Q HA 0.654 4.996 4.340 0.003 0.000 0.281 213 Q C -1.233 174.752 176.000 -0.025 0.000 1.067 213 Q CA -0.333 55.534 55.803 0.106 0.000 0.809 213 Q CB 2.480 31.369 28.738 0.252 0.000 1.418 213 Q HN 0.824 nan 8.270 nan 0.000 0.411 214 M N 2.498 122.128 119.600 0.050 0.000 2.327 214 M HA 0.741 5.223 4.480 0.003 0.000 0.298 214 M C -1.540 174.779 176.300 0.031 0.000 1.065 214 M CA -0.682 54.509 55.300 -0.181 0.000 0.916 214 M CB 1.454 33.880 32.600 -0.291 0.000 1.630 214 M HN 0.679 nan 8.290 nan 0.000 0.442 215 F N 0.161 120.086 119.950 -0.042 0.000 2.665 215 F HA 0.540 5.069 4.527 0.002 0.000 0.308 215 F C -0.107 175.625 175.800 -0.114 0.000 1.112 215 F CA -1.171 56.805 58.000 -0.040 0.000 0.972 215 F CB 0.453 39.454 39.000 0.001 0.000 1.295 215 F HN 0.389 nan 8.300 nan 0.000 0.440 216 I N 0.335 120.943 120.570 0.063 0.000 2.193 216 I HA -0.033 4.139 4.170 0.003 0.000 0.240 216 I C 0.666 176.871 176.117 0.146 0.000 1.084 216 I CA 1.283 62.575 61.300 -0.013 0.000 1.365 216 I CB -0.744 37.226 38.000 -0.049 0.000 1.064 216 I HN 0.625 nan 8.210 nan 0.000 0.410 217 T N 1.569 116.242 114.554 0.198 0.000 2.807 217 T HA 0.554 4.905 4.350 0.003 0.000 0.279 217 T C 0.334 175.102 174.700 0.114 0.000 0.993 217 T CA -0.515 61.680 62.100 0.158 0.000 0.970 217 T CB 1.968 70.875 68.868 0.065 0.000 0.950 217 T HN 0.340 nan 8.240 nan 0.000 0.441 218 G N 2.782 111.624 108.800 0.069 0.000 2.634 218 G HA2 0.335 4.297 3.960 0.003 0.000 0.255 218 G HA3 0.335 4.297 3.960 0.003 0.000 0.255 218 G C -1.518 173.210 174.900 -0.286 0.000 1.205 218 G CA -1.368 43.543 45.100 -0.315 0.000 0.884 218 G HN 0.395 nan 8.290 nan 0.000 0.549 219 P HA -0.114 nan 4.420 nan 0.000 0.216 219 P C 1.132 178.359 177.300 -0.122 0.000 1.150 219 P CA 1.216 64.183 63.100 -0.221 0.000 0.843 219 P CB 0.249 31.819 31.700 -0.216 0.000 0.787 220 D N -0.916 119.427 120.400 -0.095 0.000 2.087 220 D HA -0.119 4.523 4.640 0.003 0.000 0.192 220 D C 2.049 178.326 176.300 -0.037 0.000 0.993 220 D CA 1.123 55.093 54.000 -0.050 0.000 0.828 220 D CB -0.972 39.812 40.800 -0.027 0.000 0.968 220 D HN -0.041 nan 8.370 nan 0.000 0.448 221 V N 1.151 121.047 119.914 -0.030 0.000 2.343 221 V HA -0.215 3.907 4.120 0.003 0.000 0.247 221 V C 2.529 178.608 176.094 -0.025 0.000 1.051 221 V CA 1.088 63.378 62.300 -0.017 0.000 1.036 221 V CB -0.407 31.417 31.823 0.002 0.000 0.654 221 V HN 0.191 nan 8.190 nan 0.000 0.451 222 I N -0.175 120.369 120.570 -0.044 0.000 2.208 222 I HA -0.290 3.881 4.170 0.003 0.000 0.245 222 I C 2.590 178.684 176.117 -0.037 0.000 1.097 222 I CA 1.897 63.170 61.300 -0.044 0.000 1.363 222 I CB -0.392 37.568 38.000 -0.067 0.000 1.051 222 I HN 0.276 nan 8.210 nan 0.000 0.413 223 K N 0.528 120.903 120.400 -0.042 0.000 2.002 223 K HA -0.238 4.084 4.320 0.003 0.000 0.209 223 K C 2.277 178.863 176.600 -0.023 0.000 1.048 223 K CA 2.221 58.488 56.287 -0.033 0.000 0.930 223 K CB -0.246 32.233 32.500 -0.035 0.000 0.714 223 K HN 0.403 nan 8.250 nan 0.000 0.438 224 T N -1.282 113.260 114.554 -0.020 0.000 2.788 224 T HA -0.081 4.270 4.350 0.003 0.000 0.268 224 T C 1.878 176.572 174.700 -0.011 0.000 1.044 224 T CA 1.574 63.666 62.100 -0.013 0.000 1.139 224 T CB -0.283 68.579 68.868 -0.010 0.000 0.867 224 T HN 0.042 nan 8.240 nan 0.000 0.454 225 V N 2.033 121.941 119.914 -0.011 0.000 2.407 225 V HA 0.026 4.148 4.120 0.003 0.000 0.245 225 V C 2.983 179.072 176.094 -0.008 0.000 1.041 225 V CA 1.927 64.222 62.300 -0.007 0.000 1.040 225 V CB -0.630 31.191 31.823 -0.004 0.000 0.671 225 V HN 0.863 nan 8.190 nan 0.000 0.455 226 T N -4.124 110.423 114.554 -0.012 0.000 2.959 226 T HA 0.373 4.725 4.350 0.003 0.000 0.254 226 T C 1.593 176.285 174.700 -0.014 0.000 1.003 226 T CA 1.023 63.116 62.100 -0.012 0.000 0.950 226 T CB 0.993 69.853 68.868 -0.014 0.000 1.090 226 T HN 0.890 nan 8.240 nan 0.000 0.503 227 G N 1.553 110.343 108.800 -0.016 0.000 2.179 227 G HA2 -0.256 3.705 3.960 0.003 0.000 0.260 227 G HA3 -0.256 3.705 3.960 0.003 0.000 0.260 227 G C -0.173 174.715 174.900 -0.020 0.000 0.977 227 G CA 0.200 45.290 45.100 -0.017 0.000 0.641 227 G HN 0.681 nan 8.290 nan 0.000 0.533 228 E N 0.670 120.856 120.200 -0.024 0.000 2.384 228 E HA 0.407 4.758 4.350 0.003 0.000 0.266 228 E C 0.082 176.660 176.600 -0.036 0.000 1.012 228 E CA 0.160 56.543 56.400 -0.028 0.000 0.901 228 E CB 0.712 30.394 29.700 -0.030 0.000 0.967 228 E HN 0.440 nan 8.360 nan 0.000 0.435 229 E N 2.444 122.623 120.200 -0.035 0.000 2.114 229 E HA 0.378 4.729 4.350 0.003 0.000 0.266 229 E C -1.686 174.886 176.600 -0.047 0.000 0.896 229 E CA -0.486 55.890 56.400 -0.040 0.000 0.750 229 E CB 1.487 31.169 29.700 -0.030 0.000 1.121 229 E HN 0.144 nan 8.360 nan 0.000 0.413 230 V N 3.271 123.146 119.914 -0.064 0.000 2.971 230 V HA 0.394 4.516 4.120 0.003 0.000 0.309 230 V C -0.490 175.550 176.094 -0.090 0.000 1.130 230 V CA -0.447 61.808 62.300 -0.074 0.000 0.964 230 V CB 2.512 34.283 31.823 -0.087 0.000 1.029 230 V HN 0.673 nan 8.190 nan 0.000 0.427 231 T N 5.326 119.833 114.554 -0.077 0.000 2.910 231 T HA 0.287 4.638 4.350 0.003 0.000 0.293 231 T C 1.269 175.904 174.700 -0.108 0.000 1.015 231 T CA -0.087 61.968 62.100 -0.075 0.000 1.094 231 T CB 1.069 69.911 68.868 -0.044 0.000 0.968 231 T HN 0.694 nan 8.240 nan 0.000 0.521 232 M N 1.563 121.095 119.600 -0.113 0.000 2.088 232 M HA -0.186 4.295 4.480 0.003 0.000 0.256 232 M C 2.277 178.581 176.300 0.007 0.000 1.071 232 M CA 1.899 57.130 55.300 -0.115 0.000 1.097 232 M CB -0.335 32.279 32.600 0.023 0.000 1.315 232 M HN 0.670 nan 8.290 nan 0.000 0.406 233 E N 0.648 120.861 120.200 0.021 0.000 2.070 233 E HA -0.263 4.089 4.350 0.003 0.000 0.197 233 E C 1.670 178.270 176.600 0.000 0.000 1.004 233 E CA 1.944 58.360 56.400 0.028 0.000 0.805 233 E CB -0.147 29.562 29.700 0.015 0.000 0.744 233 E HN 0.360 nan 8.360 nan 0.000 0.451 234 E N -0.489 119.696 120.200 -0.025 0.000 2.107 234 E HA -0.089 4.262 4.350 0.003 0.000 0.191 234 E C 1.937 178.496 176.600 -0.068 0.000 0.982 234 E CA 0.783 57.160 56.400 -0.038 0.000 0.809 234 E CB -0.486 29.192 29.700 -0.037 0.000 0.756 234 E HN 0.332 nan 8.360 nan 0.000 0.459 235 L N -0.894 120.280 121.223 -0.081 0.000 2.017 235 L HA 0.056 4.397 4.340 0.003 0.000 0.208 235 L C 1.722 178.551 176.870 -0.068 0.000 1.073 235 L CA 2.359 57.142 54.840 -0.095 0.000 0.745 235 L CB -0.367 41.581 42.059 -0.185 0.000 0.894 235 L HN 0.235 nan 8.230 nan 0.000 0.432 236 G N -1.839 106.975 108.800 0.023 0.000 4.385 236 G HA2 0.339 4.301 3.960 0.003 0.000 0.283 236 G HA3 0.339 4.301 3.960 0.003 0.000 0.283 236 G C 0.556 175.519 174.900 0.104 0.000 1.020 236 G CA 0.157 45.326 45.100 0.114 0.000 0.790 236 G HN 0.632 nan 8.290 nan 0.000 0.420 237 G N -0.195 108.616 108.800 0.018 0.000 2.667 237 G HA2 0.444 4.406 3.960 0.003 0.000 0.250 237 G HA3 0.444 4.406 3.960 0.003 0.000 0.250 237 G C 1.363 176.280 174.900 0.030 0.000 1.212 237 G CA 0.401 45.526 45.100 0.041 0.000 0.874 237 G HN 0.514 nan 8.290 nan 0.000 0.561 238 A N -0.509 122.335 122.820 0.039 0.000 1.883 238 A HA -0.158 4.163 4.320 0.003 0.000 0.217 238 A C 2.088 179.683 177.584 0.019 0.000 1.186 238 A CA 2.370 54.419 52.037 0.021 0.000 0.624 238 A CB -0.921 18.062 19.000 -0.029 0.000 0.822 238 A HN 0.862 nan 8.150 nan 0.000 0.444 239 H N -0.236 118.786 119.070 -0.080 0.000 2.353 239 H HA -0.073 4.485 4.556 0.003 0.000 0.300 239 H C 2.177 177.451 175.328 -0.090 0.000 1.090 239 H CA 2.216 58.215 56.048 -0.082 0.000 1.327 239 H CB -0.427 29.291 29.762 -0.073 0.000 1.383 239 H HN 0.398 nan 8.280 nan 0.000 0.508 240 T N -0.011 114.461 114.554 -0.137 0.000 2.708 240 T HA -0.156 4.196 4.350 0.003 0.000 0.266 240 T C 1.593 176.100 174.700 -0.322 0.000 1.037 240 T CA 1.620 63.557 62.100 -0.271 0.000 1.146 240 T CB -0.266 68.416 68.868 -0.311 0.000 0.865 240 T HN 0.555 nan 8.240 nan 0.000 0.435 241 H N -0.257 118.747 119.070 -0.108 0.000 2.502 241 H HA 0.180 4.737 4.556 0.002 0.000 0.283 241 H C 2.116 177.311 175.328 -0.220 0.000 1.015 241 H CA 0.903 56.860 56.048 -0.150 0.000 1.298 241 H CB -0.254 29.435 29.762 -0.122 0.000 1.411 241 H HN 0.269 nan 8.280 nan 0.000 0.556 242 M N 0.838 120.375 119.600 -0.105 0.000 2.074 242 M HA 0.016 4.498 4.480 0.003 0.000 0.259 242 M C 2.344 178.559 176.300 -0.141 0.000 1.079 242 M CA 2.082 57.294 55.300 -0.147 0.000 1.119 242 M CB -0.549 31.992 32.600 -0.097 0.000 1.297 242 M HN 0.092 nan 8.290 nan 0.000 0.416 243 A N -0.844 121.867 122.820 -0.181 0.000 1.975 243 A HA -0.008 4.314 4.320 0.003 0.000 0.215 243 A C 2.079 179.703 177.584 0.066 0.000 1.170 243 A CA 1.283 53.278 52.037 -0.072 0.000 0.656 243 A CB -0.376 18.407 19.000 -0.362 0.000 0.821 243 A HN 0.591 nan 8.150 nan 0.000 0.449 244 K N -0.243 120.123 120.400 -0.055 0.000 2.108 244 K HA -0.005 4.317 4.320 0.003 0.000 0.204 244 K C 2.152 178.783 176.600 0.051 0.000 1.036 244 K CA 1.251 57.544 56.287 0.010 0.000 0.965 244 K CB -0.097 32.362 32.500 -0.068 0.000 0.804 244 K HN 0.503 nan 8.250 nan 0.000 0.454 245 S N -0.197 115.471 115.700 -0.053 0.000 2.548 245 S HA 0.108 4.580 4.470 0.003 0.000 0.215 245 S C 1.308 175.788 174.600 -0.200 0.000 0.976 245 S CA 0.385 58.569 58.200 -0.026 0.000 0.908 245 S CB 0.344 63.613 63.200 0.116 0.000 0.781 245 S HN 0.447 nan 8.310 nan 0.000 0.519 246 G N 0.725 109.161 108.800 -0.606 0.000 2.249 246 G HA2 -0.264 3.697 3.960 0.003 0.000 0.273 246 G HA3 -0.264 3.697 3.960 0.003 0.000 0.273 246 G C 0.490 175.038 174.900 -0.587 0.000 1.036 246 G CA 0.729 45.112 45.100 -1.194 0.000 0.824 246 G HN 0.572 nan 8.290 nan 0.000 0.504 247 T N -0.828 113.502 114.554 -0.375 0.000 3.034 247 T HA 0.530 4.882 4.350 0.003 0.000 0.248 247 T C 1.420 175.945 174.700 -0.292 0.000 1.040 247 T CA 1.059 62.994 62.100 -0.275 0.000 1.107 247 T CB 0.440 69.169 68.868 -0.231 0.000 0.932 247 T HN 1.334 nan 8.240 nan 0.000 0.474 248 A N 0.883 123.557 122.820 -0.244 0.000 2.301 248 A HA 0.526 4.847 4.320 0.003 0.000 0.298 248 A C 0.133 177.583 177.584 -0.224 0.000 1.185 248 A CA -0.372 51.577 52.037 -0.147 0.000 0.830 248 A CB 0.296 19.262 19.000 -0.056 0.000 1.112 248 A HN 0.438 nan 8.150 nan 0.000 0.508 249 H N -0.075 119.041 119.070 0.076 0.000 2.544 249 H HA 0.208 4.765 4.556 0.003 0.000 0.269 249 H C -0.866 174.529 175.328 0.112 0.000 0.970 249 H CA 1.454 57.597 56.048 0.158 0.000 1.219 249 H CB 0.250 30.229 29.762 0.361 0.000 1.421 249 H HN 0.642 nan 8.280 nan 0.000 0.555 250 Y N -0.015 120.228 120.300 -0.095 0.000 2.436 250 Y HA 0.531 5.083 4.550 0.003 0.000 0.327 250 Y C -1.666 174.100 175.900 -0.224 0.000 1.138 250 Y CA -1.811 56.086 58.100 -0.338 0.000 1.042 250 Y CB 1.192 39.054 38.460 -0.996 0.000 1.302 250 Y HN -0.062 nan 8.280 nan 0.000 0.439 251 A N 4.569 126.962 122.820 -0.712 0.000 2.316 251 A HA 0.824 5.146 4.320 0.003 0.000 0.324 251 A C -0.602 176.483 177.584 -0.833 0.000 1.375 251 A CA -0.051 51.670 52.037 -0.527 0.000 0.882 251 A CB -0.301 18.533 19.000 -0.277 0.000 1.152 251 A HN 1.101 nan 8.150 nan 0.000 0.512 252 A N 2.485 124.944 122.820 -0.602 0.000 2.354 252 A HA 0.583 4.905 4.320 0.003 0.000 0.269 252 A C 0.763 178.211 177.584 -0.227 0.000 1.109 252 A CA 0.106 51.899 52.037 -0.407 0.000 0.800 252 A CB 0.123 19.078 19.000 -0.075 0.000 1.045 252 A HN 1.696 nan 8.150 nan 0.000 0.489 253 S N 1.889 117.498 115.700 -0.152 0.000 2.473 253 S HA 0.584 5.055 4.470 0.003 0.000 0.312 253 S C 0.457 175.015 174.600 -0.070 0.000 1.087 253 S CA 0.068 58.209 58.200 -0.099 0.000 1.077 253 S CB -0.455 62.700 63.200 -0.076 0.000 1.065 253 S HN 2.545 nan 8.310 nan 0.000 0.510 254 G N 3.032 111.782 108.800 -0.084 0.000 2.692 254 G HA2 -0.146 3.815 3.960 0.003 0.000 0.686 254 G HA3 -0.146 3.815 3.960 0.003 0.000 0.686 254 G C 0.168 174.974 174.900 -0.156 0.000 1.243 254 G CA -0.313 44.734 45.100 -0.090 0.000 0.782 254 G HN 0.537 nan 8.290 nan 0.000 0.625 255 E N 0.217 120.293 120.200 -0.207 0.000 2.110 255 E HA -0.220 4.131 4.350 0.003 0.000 0.193 255 E C 2.383 178.504 176.600 -0.798 0.000 0.988 255 E CA 1.623 57.748 56.400 -0.459 0.000 0.804 255 E CB 0.036 29.553 29.700 -0.305 0.000 0.745 255 E HN 0.515 nan 8.360 nan 0.000 0.458 256 Q N 1.519 121.115 119.800 -0.339 0.000 2.124 256 Q HA -0.194 4.147 4.340 0.003 0.000 0.202 256 Q C 1.562 177.528 176.000 -0.056 0.000 0.977 256 Q CA 1.855 57.602 55.803 -0.095 0.000 0.850 256 Q CB -0.237 28.544 28.738 0.071 0.000 0.901 256 Q HN 0.134 nan 8.270 nan 0.000 0.429 257 D N -0.923 119.445 120.400 -0.053 0.000 2.178 257 D HA -0.065 4.576 4.640 0.003 0.000 0.202 257 D C 1.578 177.945 176.300 0.112 0.000 0.974 257 D CA 1.317 55.358 54.000 0.069 0.000 0.841 257 D CB -0.224 40.631 40.800 0.092 0.000 0.953 257 D HN 0.359 nan 8.370 nan 0.000 0.478 258 A N -0.466 122.320 122.820 -0.057 0.000 1.898 258 A HA -0.093 4.228 4.320 0.003 0.000 0.216 258 A C 2.165 179.774 177.584 0.042 0.000 1.181 258 A CA 1.066 53.093 52.037 -0.017 0.000 0.620 258 A CB -1.144 17.746 19.000 -0.183 0.000 0.819 258 A HN 0.376 nan 8.150 nan 0.000 0.442 259 F N 0.479 120.486 119.950 0.095 0.000 2.102 259 F HA -0.220 4.308 4.527 0.002 0.000 0.298 259 F C 2.206 178.037 175.800 0.051 0.000 1.105 259 F CA 0.875 58.909 58.000 0.057 0.000 1.239 259 F CB -0.428 38.591 39.000 0.032 0.000 0.991 259 F HN 0.164 nan 8.300 nan 0.000 0.474 260 D N -0.350 120.188 120.400 0.231 0.000 2.104 260 D HA -0.239 4.402 4.640 0.003 0.000 0.194 260 D C 1.866 178.203 176.300 0.063 0.000 0.994 260 D CA 1.413 55.492 54.000 0.130 0.000 0.830 260 D CB -0.802 40.065 40.800 0.112 0.000 0.959 260 D HN 0.308 nan 8.370 nan 0.000 0.452 261 Y N 1.273 121.526 120.300 -0.079 0.000 2.145 261 Y HA -0.220 4.332 4.550 0.003 0.000 0.286 261 Y C 2.352 178.161 175.900 -0.152 0.000 1.145 261 Y CA 1.569 59.527 58.100 -0.237 0.000 1.148 261 Y CB -0.335 37.800 38.460 -0.542 0.000 0.981 261 Y HN -0.090 nan 8.280 nan 0.000 0.507 262 V N 0.847 120.828 119.914 0.111 0.000 2.332 262 V HA -0.291 3.830 4.120 0.003 0.000 0.248 262 V C 2.226 178.284 176.094 -0.059 0.000 1.055 262 V CA 2.273 64.594 62.300 0.035 0.000 1.038 262 V CB -0.509 31.382 31.823 0.114 0.000 0.651 262 V HN 0.444 nan 8.190 nan 0.000 0.450 263 R N -0.491 119.995 120.500 -0.022 0.000 2.083 263 R HA -0.134 4.208 4.340 0.003 0.000 0.237 263 R C 2.456 178.691 176.300 -0.108 0.000 1.137 263 R CA 1.787 57.857 56.100 -0.049 0.000 0.951 263 R CB -0.509 29.782 30.300 -0.014 0.000 0.851 263 R HN 0.535 nan 8.270 nan 0.000 0.434 264 E N 0.973 121.085 120.200 -0.148 0.000 2.077 264 E HA -0.171 4.180 4.350 0.003 0.000 0.193 264 E C 1.998 178.508 176.600 -0.149 0.000 0.989 264 E CA 0.823 57.128 56.400 -0.159 0.000 0.800 264 E CB -0.290 29.289 29.700 -0.201 0.000 0.746 264 E HN 0.109 nan 8.360 nan 0.000 0.452 265 L N 0.900 121.935 121.223 -0.315 0.000 1.989 265 L HA -0.171 4.170 4.340 0.003 0.000 0.211 265 L C 2.317 179.021 176.870 -0.277 0.000 1.071 265 L CA 1.587 56.209 54.840 -0.363 0.000 0.749 265 L CB -0.749 40.993 42.059 -0.529 0.000 0.890 265 L HN 0.101 nan 8.230 nan 0.000 0.431 266 L N -0.491 120.599 121.223 -0.222 0.000 2.191 266 L HA -0.187 4.154 4.340 0.003 0.000 0.212 266 L C 2.615 179.373 176.870 -0.187 0.000 1.103 266 L CA 1.334 56.061 54.840 -0.189 0.000 0.769 266 L CB -0.706 41.277 42.059 -0.127 0.000 0.908 266 L HN 0.564 nan 8.230 nan 0.000 0.438 267 S N -1.356 114.223 115.700 -0.201 0.000 2.447 267 S HA -0.166 4.305 4.470 0.003 0.000 0.233 267 S C 1.745 176.104 174.600 -0.402 0.000 1.006 267 S CA 0.665 58.711 58.200 -0.257 0.000 0.957 267 S CB -0.463 62.575 63.200 -0.269 0.000 0.773 267 S HN 0.435 nan 8.310 nan 0.000 0.507 268 Y N 1.277 121.379 120.300 -0.330 0.000 2.490 268 Y HA 0.455 5.007 4.550 0.003 0.000 0.285 268 Y C 0.983 176.657 175.900 -0.376 0.000 1.117 268 Y CA -0.118 57.739 58.100 -0.404 0.000 1.262 268 Y CB 0.033 38.104 38.460 -0.648 0.000 1.043 268 Y HN 0.204 nan 8.280 nan 0.000 0.553 269 L N 2.193 123.282 121.223 -0.222 0.000 2.344 269 L HA 0.359 4.701 4.340 0.003 0.000 0.272 269 L C -2.144 174.643 176.870 -0.139 0.000 1.035 269 L CA -2.317 52.400 54.840 -0.205 0.000 0.807 269 L CB 1.131 43.016 42.059 -0.290 0.000 1.237 269 L HN -0.183 nan 8.230 nan 0.000 0.442 270 P HA 0.148 nan 4.420 nan 0.000 0.274 270 P C -2.324 174.926 177.300 -0.083 0.000 1.256 270 P CA -1.404 61.671 63.100 -0.041 0.000 0.795 270 P CB 0.162 31.885 31.700 0.038 0.000 1.038 271 P HA -0.089 nan 4.420 nan 0.000 0.223 271 P C -0.100 177.182 177.300 -0.029 0.000 1.151 271 P CA 1.420 64.490 63.100 -0.051 0.000 0.787 271 P CB 0.013 31.701 31.700 -0.020 0.000 0.788 272 N N -1.592 117.131 118.700 0.039 0.000 3.179 272 N HA 0.037 4.779 4.740 0.003 0.000 0.250 272 N C 0.235 175.898 175.510 0.255 0.000 1.507 272 N CA -0.782 52.353 53.050 0.143 0.000 0.883 272 N CB -0.749 37.798 38.487 0.100 0.000 1.435 272 N HN -0.335 nan 8.380 nan 0.000 0.532 273 N N -1.089 117.777 118.700 0.276 0.000 2.515 273 N HA 0.008 4.750 4.740 0.003 0.000 0.185 273 N C -0.290 175.273 175.510 0.088 0.000 1.109 273 N CA 0.565 53.723 53.050 0.181 0.000 0.903 273 N CB -0.251 38.257 38.487 0.033 0.000 0.969 273 N HN 0.448 nan 8.380 nan 0.000 0.450 274 S N -1.019 114.729 115.700 0.079 0.000 2.556 274 S HA 0.157 4.629 4.470 0.003 0.000 0.216 274 S C -0.012 174.614 174.600 0.044 0.000 0.970 274 S CA -0.307 57.922 58.200 0.047 0.000 0.912 274 S CB 0.295 63.518 63.200 0.038 0.000 0.790 274 S HN 0.347 nan 8.310 nan 0.000 0.504 275 T N 2.363 116.952 114.554 0.057 0.000 2.863 275 T HA 0.330 4.682 4.350 0.003 0.000 0.285 275 T C -0.931 173.797 174.700 0.046 0.000 1.009 275 T CA -0.859 61.266 62.100 0.043 0.000 0.989 275 T CB 1.358 70.246 68.868 0.035 0.000 1.004 275 T HN -0.061 nan 8.240 nan 0.000 0.455 276 D N 2.151 122.569 120.400 0.031 0.000 2.443 276 D HA 0.349 4.990 4.640 0.003 0.000 0.239 276 D C 0.447 176.760 176.300 0.021 0.000 1.136 276 D CA 0.033 54.049 54.000 0.027 0.000 0.879 276 D CB 0.556 41.367 40.800 0.018 0.000 1.195 276 D HN 0.729 nan 8.370 nan 0.000 0.443 277 A N 4.012 126.846 122.820 0.023 0.000 2.540 277 A HA 0.245 4.566 4.320 0.003 0.000 0.239 277 A C -1.951 175.614 177.584 -0.032 0.000 1.061 277 A CA -0.813 51.221 52.037 -0.006 0.000 0.758 277 A CB -0.318 18.686 19.000 0.008 0.000 0.991 277 A HN 0.358 nan 8.150 nan 0.000 0.502 278 P HA 0.254 nan 4.420 nan 0.000 0.275 278 P C -0.671 176.566 177.300 -0.105 0.000 1.227 278 P CA -0.003 63.063 63.100 -0.057 0.000 0.781 278 P CB 0.691 32.362 31.700 -0.050 0.000 0.906 279 R N 2.223 122.699 120.500 -0.041 0.000 2.532 279 R HA 0.427 4.768 4.340 0.003 0.000 0.295 279 R C 0.207 176.563 176.300 0.094 0.000 0.968 279 R CA -0.658 55.416 56.100 -0.043 0.000 0.916 279 R CB 1.147 31.452 30.300 0.009 0.000 1.124 279 R HN 0.513 nan 8.270 nan 0.000 0.463 280 Y N 0.587 120.872 120.300 -0.025 0.000 2.289 280 Y HA 0.048 4.600 4.550 0.003 0.000 0.332 280 Y C 0.878 176.773 175.900 -0.008 0.000 1.324 280 Y CA -1.029 57.056 58.100 -0.024 0.000 1.478 280 Y CB 0.648 39.090 38.460 -0.031 0.000 1.378 280 Y HN 0.358 nan 8.280 nan 0.000 0.558 281 Q N 1.566 121.468 119.800 0.171 0.000 2.255 281 Q HA 0.202 4.543 4.340 0.003 0.000 0.280 281 Q C -0.743 175.304 176.000 0.079 0.000 1.068 281 Q CA -0.176 55.678 55.803 0.085 0.000 0.911 281 Q CB 0.513 29.276 28.738 0.041 0.000 1.157 281 Q HN 0.572 nan 8.270 nan 0.000 0.380 282 A N 3.822 126.677 122.820 0.059 0.000 2.407 282 A HA 0.580 4.902 4.320 0.003 0.000 0.248 282 A C -0.060 177.546 177.584 0.037 0.000 1.082 282 A CA 0.081 52.147 52.037 0.048 0.000 0.785 282 A CB 0.123 19.145 19.000 0.037 0.000 1.020 282 A HN 0.978 nan 8.150 nan 0.000 0.489 283 A N 1.059 123.899 122.820 0.034 0.000 2.386 283 A HA 0.569 4.891 4.320 0.003 0.000 0.248 283 A C 0.743 178.336 177.584 0.015 0.000 1.082 283 A CA 0.256 52.308 52.037 0.024 0.000 0.789 283 A CB -0.085 18.930 19.000 0.024 0.000 1.025 283 A HN 2.106 nan 8.150 nan 0.000 0.490 284 A N 2.602 125.428 122.820 0.010 0.000 2.316 284 A HA 0.662 4.984 4.320 0.003 0.000 0.284 284 A C -1.966 175.618 177.584 -0.001 0.000 1.115 284 A CA -1.329 50.711 52.037 0.004 0.000 0.812 284 A CB -0.361 18.641 19.000 0.003 0.000 1.064 284 A HN 0.753 nan 8.150 nan 0.000 0.489 285 P HA 0.267 nan 4.420 nan 0.000 0.276 285 P C -0.383 176.909 177.300 -0.014 0.000 1.235 285 P CA 0.041 63.133 63.100 -0.014 0.000 0.772 285 P CB 0.826 32.515 31.700 -0.019 0.000 0.871 286 T N 1.948 116.492 114.554 -0.017 0.000 3.218 286 T HA 0.481 4.833 4.350 0.003 0.000 0.241 286 T C 0.651 175.337 174.700 -0.023 0.000 0.929 286 T CA 0.537 62.627 62.100 -0.016 0.000 0.979 286 T CB -0.651 68.209 68.868 -0.012 0.000 1.129 286 T HN 0.896 nan 8.240 nan 0.000 0.559 287 G N 2.972 111.756 108.800 -0.026 0.000 2.512 287 G HA2 -0.116 3.845 3.960 0.003 0.000 0.210 287 G HA3 -0.116 3.845 3.960 0.003 0.000 0.210 287 G C -2.696 172.176 174.900 -0.047 0.000 1.295 287 G CA -1.115 43.966 45.100 -0.031 0.000 0.934 287 G HN 0.372 nan 8.290 nan 0.000 0.554 288 P HA 0.444 nan 4.420 nan 0.000 0.274 288 P C 1.352 178.583 177.300 -0.115 0.000 1.231 288 P CA -0.421 62.632 63.100 -0.077 0.000 0.790 288 P CB 0.548 32.213 31.700 -0.057 0.000 0.951 289 I N 1.223 121.690 120.570 -0.172 0.000 2.229 289 I HA -0.333 3.839 4.170 0.003 0.000 0.250 289 I C 1.768 177.706 176.117 -0.299 0.000 1.096 289 I CA 1.904 63.057 61.300 -0.244 0.000 1.358 289 I CB -0.547 37.251 38.000 -0.336 0.000 1.047 289 I HN 0.489 nan 8.210 nan 0.000 0.422 290 E N -0.146 119.884 120.200 -0.283 0.000 2.442 290 E HA -0.066 4.286 4.350 0.003 0.000 0.195 290 E C 1.486 178.036 176.600 -0.082 0.000 1.030 290 E CA 0.289 56.557 56.400 -0.221 0.000 0.869 290 E CB -0.026 29.632 29.700 -0.070 0.000 0.857 290 E HN 0.344 nan 8.360 nan 0.000 0.505 291 E N 0.635 120.791 120.200 -0.074 0.000 2.479 291 E HA 0.095 4.446 4.350 0.003 0.000 0.193 291 E C -0.067 176.510 176.600 -0.038 0.000 1.049 291 E CA 0.187 56.563 56.400 -0.040 0.000 0.870 291 E CB 0.205 29.886 29.700 -0.032 0.000 0.944 291 E HN 0.298 nan 8.360 nan 0.000 0.492 292 N N -0.337 118.331 118.700 -0.054 0.000 2.301 292 N HA 0.135 4.877 4.740 0.003 0.000 0.247 292 N C -0.630 174.860 175.510 -0.034 0.000 1.347 292 N CA -0.134 52.893 53.050 -0.038 0.000 0.844 292 N CB 0.709 39.170 38.487 -0.043 0.000 1.332 292 N HN -0.082 nan 8.380 nan 0.000 0.494 293 L N 2.105 123.306 121.223 -0.037 0.000 3.049 293 L HA -0.146 4.195 4.340 0.003 0.000 0.302 293 L C 0.986 177.859 176.870 0.005 0.000 0.961 293 L CA 0.362 55.200 54.840 -0.005 0.000 1.022 293 L CB -1.590 40.477 42.059 0.014 0.000 1.553 293 L HN 0.295 nan 8.230 nan 0.000 0.439 294 T N -2.420 112.141 114.554 0.011 0.000 2.828 294 T HA 0.121 4.473 4.350 0.003 0.000 0.290 294 T C 0.968 175.676 174.700 0.014 0.000 1.019 294 T CA -0.696 61.412 62.100 0.014 0.000 1.031 294 T CB 1.469 70.349 68.868 0.020 0.000 1.001 294 T HN 0.433 nan 8.240 nan 0.000 0.531 295 D N -0.003 120.405 120.400 0.013 0.000 2.149 295 D HA -0.097 4.544 4.640 0.003 0.000 0.198 295 D C 1.868 178.176 176.300 0.013 0.000 0.990 295 D CA 1.262 55.269 54.000 0.011 0.000 0.839 295 D CB -0.170 40.637 40.800 0.012 0.000 0.948 295 D HN 0.816 nan 8.370 nan 0.000 0.460 296 E N 0.294 120.506 120.200 0.020 0.000 2.051 296 E HA -0.170 4.182 4.350 0.003 0.000 0.192 296 E C 1.359 177.975 176.600 0.026 0.000 0.991 296 E CA 0.967 57.383 56.400 0.027 0.000 0.799 296 E CB 0.182 29.903 29.700 0.036 0.000 0.748 296 E HN 0.187 nan 8.360 nan 0.000 0.449 297 D N 0.611 121.028 120.400 0.027 0.000 2.116 297 D HA -0.198 4.444 4.640 0.003 0.000 0.193 297 D C 2.115 178.412 176.300 -0.005 0.000 0.998 297 D CA 0.946 54.961 54.000 0.026 0.000 0.836 297 D CB -0.339 40.483 40.800 0.037 0.000 0.951 297 D HN 0.255 nan 8.370 nan 0.000 0.449 298 L N 0.770 121.989 121.223 -0.006 0.000 2.141 298 L HA -0.133 4.208 4.340 0.003 0.000 0.209 298 L C 2.250 179.090 176.870 -0.048 0.000 1.094 298 L CA 0.953 55.777 54.840 -0.027 0.000 0.763 298 L CB -0.407 41.644 42.059 -0.013 0.000 0.908 298 L HN 0.004 nan 8.230 nan 0.000 0.437 299 E N -0.075 120.108 120.200 -0.028 0.000 2.209 299 E HA -0.232 4.119 4.350 0.003 0.000 0.196 299 E C 2.052 178.620 176.600 -0.054 0.000 0.993 299 E CA 0.757 57.141 56.400 -0.027 0.000 0.819 299 E CB -0.052 29.650 29.700 0.002 0.000 0.745 299 E HN 0.272 nan 8.360 nan 0.000 0.477 300 L N 1.361 122.534 121.223 -0.083 0.000 2.141 300 L HA -0.158 4.183 4.340 0.003 0.000 0.209 300 L C 1.622 178.292 176.870 -0.333 0.000 1.094 300 L CA 1.596 56.331 54.840 -0.174 0.000 0.763 300 L CB -0.769 41.164 42.059 -0.210 0.000 0.908 300 L HN 0.057 nan 8.230 nan 0.000 0.437 301 D N -0.737 119.495 120.400 -0.280 0.000 2.182 301 D HA -0.128 4.513 4.640 0.003 0.000 0.201 301 D C 1.721 177.900 176.300 -0.202 0.000 0.986 301 D CA 1.734 55.564 54.000 -0.283 0.000 0.847 301 D CB 0.025 40.708 40.800 -0.195 0.000 0.942 301 D HN 0.429 nan 8.370 nan 0.000 0.467 302 T N -1.938 112.533 114.554 -0.138 0.000 3.134 302 T HA 0.157 4.509 4.350 0.003 0.000 0.260 302 T C 1.562 176.217 174.700 -0.076 0.000 1.027 302 T CA -0.350 61.696 62.100 -0.090 0.000 0.913 302 T CB 0.119 68.954 68.868 -0.056 0.000 1.046 302 T HN -0.060 nan 8.240 nan 0.000 0.553 303 L N 1.165 122.331 121.223 -0.096 0.000 2.072 303 L HA 0.325 4.666 4.340 0.003 0.000 0.205 303 L C 0.600 177.382 176.870 -0.146 0.000 1.079 303 L CA 1.162 55.957 54.840 -0.075 0.000 0.752 303 L CB -0.337 41.701 42.059 -0.035 0.000 0.906 303 L HN 0.241 nan 8.230 nan 0.000 0.436 304 I N 2.038 122.497 120.570 -0.185 0.000 2.517 304 I HA 0.135 4.307 4.170 0.003 0.000 0.285 304 I C -1.822 174.239 176.117 -0.094 0.000 1.106 304 I CA -1.712 59.441 61.300 -0.245 0.000 1.402 304 I CB -0.490 37.419 38.000 -0.151 0.000 1.399 304 I HN 0.124 nan 8.210 nan 0.000 0.535 305 P HA 0.086 nan 4.420 nan 0.000 0.269 305 P C 0.430 177.741 177.300 0.019 0.000 1.215 305 P CA -0.183 62.928 63.100 0.020 0.000 0.780 305 P CB 0.841 32.584 31.700 0.072 0.000 0.898 306 D N -0.570 119.841 120.400 0.019 0.000 2.144 306 D HA -0.094 4.548 4.640 0.003 0.000 0.199 306 D C 0.761 177.081 176.300 0.035 0.000 0.984 306 D CA 1.227 55.239 54.000 0.021 0.000 0.834 306 D CB -0.384 40.426 40.800 0.017 0.000 0.955 306 D HN 0.284 nan 8.370 nan 0.000 0.465 307 S N 1.617 117.342 115.700 0.041 0.000 2.498 307 S HA 0.058 4.529 4.470 0.003 0.000 0.281 307 S C -1.371 173.266 174.600 0.063 0.000 1.265 307 S CA -1.329 56.900 58.200 0.049 0.000 1.071 307 S CB 1.180 64.409 63.200 0.048 0.000 0.894 307 S HN -0.090 nan 8.310 nan 0.000 0.491 308 P HA -0.068 nan 4.420 nan 0.000 0.218 308 P C 0.271 177.621 177.300 0.084 0.000 1.148 308 P CA 1.130 64.275 63.100 0.077 0.000 0.822 308 P CB 0.049 31.799 31.700 0.083 0.000 0.784 309 N N -0.933 117.812 118.700 0.075 0.000 2.203 309 N HA 0.021 4.762 4.740 0.003 0.000 0.207 309 N C 0.682 176.232 175.510 0.067 0.000 1.130 309 N CA 0.028 53.119 53.050 0.069 0.000 0.861 309 N CB 0.156 38.679 38.487 0.060 0.000 1.005 309 N HN 0.350 nan 8.380 nan 0.000 0.507 310 Q N 2.431 122.280 119.800 0.082 0.000 2.286 310 Q HA 0.165 4.507 4.340 0.003 0.000 0.267 310 Q C -2.386 173.685 176.000 0.119 0.000 1.028 310 Q CA -1.445 54.409 55.803 0.086 0.000 0.901 310 Q CB 0.726 29.515 28.738 0.084 0.000 1.183 310 Q HN -0.014 nan 8.270 nan 0.000 0.392 311 P HA -0.023 nan 4.420 nan 0.000 0.267 311 P C -1.544 175.816 177.300 0.099 0.000 1.200 311 P CA 0.440 63.547 63.100 0.012 0.000 0.772 311 P CB 0.131 31.816 31.700 -0.025 0.000 0.855 312 Y N -1.247 119.062 120.300 0.015 0.000 2.562 312 Y HA 0.554 5.105 4.550 0.003 0.000 0.345 312 Y C -0.870 175.040 175.900 0.018 0.000 1.045 312 Y CA -1.525 56.590 58.100 0.024 0.000 1.028 312 Y CB 1.123 39.604 38.460 0.036 0.000 1.297 312 Y HN 0.181 nan 8.280 nan 0.000 0.463 313 D N 2.913 123.337 120.400 0.041 0.000 2.264 313 D HA 0.079 4.721 4.640 0.003 0.000 0.250 313 D C 0.615 176.925 176.300 0.017 0.000 1.113 313 D CA -0.238 53.746 54.000 -0.027 0.000 0.871 313 D CB 1.726 42.575 40.800 0.081 0.000 1.167 313 D HN 0.879 nan 8.370 nan 0.000 0.447 314 M N 4.136 123.652 119.600 -0.140 0.000 2.279 314 M HA -0.150 4.332 4.480 0.003 0.000 0.264 314 M C 1.563 177.802 176.300 -0.103 0.000 1.062 314 M CA 1.472 56.701 55.300 -0.117 0.000 1.099 314 M CB -0.410 32.046 32.600 -0.240 0.000 1.394 314 M HN 0.453 nan 8.290 nan 0.000 0.426 315 H N -0.395 118.654 119.070 -0.036 0.000 2.456 315 H HA -0.089 4.468 4.556 0.003 0.000 0.296 315 H C 1.702 177.028 175.328 -0.003 0.000 1.079 315 H CA 1.364 57.385 56.048 -0.046 0.000 1.322 315 H CB -0.045 29.714 29.762 -0.005 0.000 1.388 315 H HN 0.416 nan 8.280 nan 0.000 0.538 316 E N 0.602 120.901 120.200 0.166 0.000 2.160 316 E HA -0.096 4.255 4.350 0.003 0.000 0.195 316 E C 2.483 179.161 176.600 0.131 0.000 0.991 316 E CA 0.485 56.973 56.400 0.148 0.000 0.810 316 E CB -0.113 29.697 29.700 0.182 0.000 0.742 316 E HN 0.295 nan 8.360 nan 0.000 0.466 317 V N 1.140 121.129 119.914 0.125 0.000 2.331 317 V HA -0.161 3.960 4.120 0.003 0.000 0.242 317 V C 2.446 178.561 176.094 0.035 0.000 1.034 317 V CA 1.031 63.404 62.300 0.121 0.000 1.027 317 V CB -0.478 31.406 31.823 0.101 0.000 0.667 317 V HN 0.125 nan 8.190 nan 0.000 0.457 318 I N 0.591 121.116 120.570 -0.075 0.000 2.087 318 I HA -0.326 3.845 4.170 0.003 0.000 0.240 318 I C 2.630 178.686 176.117 -0.100 0.000 1.054 318 I CA 2.253 63.436 61.300 -0.196 0.000 1.311 318 I CB -0.893 36.818 38.000 -0.482 0.000 1.024 318 I HN 0.310 nan 8.210 nan 0.000 0.402 319 T N 0.411 114.947 114.554 -0.030 0.000 2.699 319 T HA -0.215 4.136 4.350 0.003 0.000 0.268 319 T C 1.919 176.653 174.700 0.057 0.000 1.036 319 T CA 1.448 63.572 62.100 0.041 0.000 1.147 319 T CB -0.299 68.615 68.868 0.077 0.000 0.862 319 T HN 0.338 nan 8.240 nan 0.000 0.446 320 R N 0.193 120.730 120.500 0.062 0.000 2.236 320 R HA 0.204 4.545 4.340 0.003 0.000 0.208 320 R C 2.194 178.541 176.300 0.078 0.000 1.036 320 R CA 0.518 56.662 56.100 0.073 0.000 1.001 320 R CB -0.184 30.166 30.300 0.083 0.000 0.896 320 R HN 0.389 nan 8.270 nan 0.000 0.464 321 L N 0.508 121.773 121.223 0.071 0.000 2.202 321 L HA 0.089 4.430 4.340 0.003 0.000 0.205 321 L C 0.927 177.844 176.870 0.079 0.000 1.083 321 L CA 0.296 55.184 54.840 0.080 0.000 0.790 321 L CB -0.130 41.971 42.059 0.071 0.000 0.942 321 L HN 0.053 nan 8.230 nan 0.000 0.452 322 L N 0.395 121.661 121.223 0.072 0.000 2.452 322 L HA 0.028 4.370 4.340 0.003 0.000 0.267 322 L C 1.116 178.052 176.870 0.111 0.000 1.188 322 L CA -0.421 54.482 54.840 0.105 0.000 0.821 322 L CB 0.465 42.601 42.059 0.128 0.000 1.102 322 L HN 0.056 nan 8.230 nan 0.000 0.470 323 D N 0.195 120.670 120.400 0.124 0.000 2.117 323 D HA -0.104 4.538 4.640 0.003 0.000 0.197 323 D C 0.586 176.957 176.300 0.117 0.000 0.987 323 D CA 1.435 55.504 54.000 0.115 0.000 0.829 323 D CB 0.338 41.214 40.800 0.126 0.000 0.961 323 D HN 0.562 nan 8.370 nan 0.000 0.460 324 D N -0.987 119.499 120.400 0.143 0.000 3.208 324 D HA 0.086 4.728 4.640 0.003 0.000 0.138 324 D C 0.066 176.465 176.300 0.166 0.000 1.289 324 D CA -0.368 53.715 54.000 0.139 0.000 1.530 324 D CB 0.668 41.550 40.800 0.137 0.000 1.601 324 D HN -0.151 nan 8.370 nan 0.000 0.238 325 E N 0.454 120.769 120.200 0.192 0.000 2.314 325 E HA 0.323 4.675 4.350 0.003 0.000 0.262 325 E C -0.756 176.036 176.600 0.320 0.000 1.093 325 E CA -0.374 56.158 56.400 0.220 0.000 0.908 325 E CB 1.176 30.983 29.700 0.178 0.000 1.091 325 E HN 0.131 nan 8.360 nan 0.000 0.425 326 F N 1.588 121.606 119.950 0.114 0.000 2.402 326 F HA 0.273 4.802 4.527 0.003 0.000 0.355 326 F C -0.778 175.059 175.800 0.062 0.000 1.123 326 F CA -1.425 56.628 58.000 0.088 0.000 1.021 326 F CB 0.622 39.682 39.000 0.101 0.000 1.160 326 F HN 0.204 nan 8.300 nan 0.000 0.451 327 L N 6.573 127.602 121.223 -0.322 0.000 2.328 327 L HA 0.303 4.645 4.340 0.003 0.000 0.280 327 L C 0.073 176.493 176.870 -0.751 0.000 1.111 327 L CA 0.108 54.686 54.840 -0.437 0.000 0.909 327 L CB -0.083 41.769 42.059 -0.346 0.000 1.277 327 L HN 0.677 nan 8.230 nan 0.000 0.433 328 E N 3.766 123.517 120.200 -0.748 0.000 2.354 328 E HA 0.216 4.568 4.350 0.003 0.000 0.269 328 E C -0.720 175.769 176.600 -0.185 0.000 1.036 328 E CA -0.457 55.515 56.400 -0.713 0.000 0.876 328 E CB 0.753 30.270 29.700 -0.306 0.000 1.009 328 E HN 0.447 nan 8.360 nan 0.000 0.416 329 I N 3.966 124.424 120.570 -0.187 0.000 2.412 329 I HA 0.058 4.230 4.170 0.003 0.000 0.296 329 I C 0.212 176.372 176.117 0.072 0.000 0.987 329 I CA -0.089 61.248 61.300 0.062 0.000 1.180 329 I CB 1.427 39.456 38.000 0.048 0.000 1.340 329 I HN 0.866 nan 8.210 nan 0.000 0.455 330 Q N 3.134 123.023 119.800 0.149 0.000 2.434 330 Q HA -0.262 4.079 4.340 0.003 0.000 0.299 330 Q C 1.321 177.377 176.000 0.094 0.000 1.286 330 Q CA 0.623 56.484 55.803 0.098 0.000 0.872 330 Q CB -0.975 27.828 28.738 0.108 0.000 1.193 330 Q HN 0.866 nan 8.270 nan 0.000 0.466 331 A N -0.237 122.632 122.820 0.082 0.000 1.948 331 A HA -0.110 4.211 4.320 0.003 0.000 0.220 331 A C 1.887 179.497 177.584 0.043 0.000 1.177 331 A CA 1.775 53.857 52.037 0.074 0.000 0.636 331 A CB -0.288 18.766 19.000 0.090 0.000 0.815 331 A HN 0.663 nan 8.150 nan 0.000 0.449 332 G N -3.048 105.776 108.800 0.040 0.000 3.314 332 G HA2 0.357 4.319 3.960 0.003 0.000 0.238 332 G HA3 0.357 4.319 3.960 0.003 0.000 0.238 332 G C -0.163 174.774 174.900 0.062 0.000 1.184 332 G CA 0.085 45.198 45.100 0.022 0.000 0.806 332 G HN 0.404 nan 8.290 nan 0.000 0.536 333 Y N -0.095 120.152 120.300 -0.089 0.000 2.477 333 Y HA 0.478 5.030 4.550 0.003 0.000 0.347 333 Y C 0.246 176.103 175.900 -0.072 0.000 0.981 333 Y CA -1.118 56.931 58.100 -0.085 0.000 1.033 333 Y CB 2.049 40.467 38.460 -0.070 0.000 1.245 333 Y HN 0.394 nan 8.280 nan 0.000 0.455 334 A N 4.650 127.082 122.820 -0.645 0.000 2.312 334 A HA -0.289 4.032 4.320 0.003 0.000 0.286 334 A C 0.885 178.327 177.584 -0.236 0.000 1.425 334 A CA 1.465 53.206 52.037 -0.492 0.000 0.748 334 A CB -1.799 16.829 19.000 -0.620 0.000 1.126 334 A HN 0.945 nan 8.150 nan 0.000 0.368 335 Q N 0.200 119.820 119.800 -0.301 0.000 2.437 335 Q HA -0.189 4.153 4.340 0.003 0.000 0.210 335 Q C 1.922 177.836 176.000 -0.142 0.000 0.972 335 Q CA 1.015 56.642 55.803 -0.293 0.000 0.903 335 Q CB -0.184 28.233 28.738 -0.534 0.000 0.967 335 Q HN 1.061 nan 8.270 nan 0.000 0.486 336 N N 0.578 119.297 118.700 0.032 0.000 2.519 336 N HA -0.122 4.619 4.740 0.003 0.000 0.186 336 N C 0.523 176.009 175.510 -0.040 0.000 1.062 336 N CA 0.751 53.816 53.050 0.024 0.000 0.910 336 N CB 0.212 38.752 38.487 0.089 0.000 0.958 336 N HN 0.251 nan 8.380 nan 0.000 0.445 337 I N 0.068 120.603 120.570 -0.059 0.000 2.730 337 I HA 0.332 4.503 4.170 0.003 0.000 0.298 337 I C -1.366 174.698 176.117 -0.088 0.000 1.089 337 I CA -0.971 60.283 61.300 -0.077 0.000 1.041 337 I CB 2.587 40.557 38.000 -0.050 0.000 1.235 337 I HN -0.303 nan 8.210 nan 0.000 0.423 338 V N 7.281 127.126 119.914 -0.115 0.000 2.444 338 V HA 0.563 4.684 4.120 0.003 0.000 0.294 338 V C -0.549 175.479 176.094 -0.109 0.000 1.022 338 V CA -0.571 61.670 62.300 -0.098 0.000 0.850 338 V CB 1.675 33.379 31.823 -0.198 0.000 0.992 338 V HN 0.518 nan 8.190 nan 0.000 0.426 339 V N 2.269 122.078 119.914 -0.175 0.000 2.823 339 V HA 1.158 5.279 4.120 0.003 0.000 0.312 339 V C -0.024 175.707 176.094 -0.605 0.000 1.072 339 V CA 0.188 62.170 62.300 -0.529 0.000 0.937 339 V CB 1.562 32.807 31.823 -0.963 0.000 1.013 339 V HN 1.343 nan 8.190 nan 0.000 0.430 340 G N 1.868 110.204 108.800 -0.773 0.000 2.327 340 G HA2 0.460 4.422 3.960 0.003 0.000 0.291 340 G HA3 0.460 4.422 3.960 0.003 0.000 0.291 340 G C -1.948 172.718 174.900 -0.391 0.000 1.290 340 G CA -0.751 43.886 45.100 -0.772 0.000 0.857 340 G HN 0.835 nan 8.290 nan 0.000 0.520 341 F N 0.438 120.233 119.950 -0.259 0.000 2.450 341 F HA 0.804 5.332 4.527 0.002 0.000 0.332 341 F C 0.962 176.597 175.800 -0.275 0.000 1.093 341 F CA 0.342 58.118 58.000 -0.372 0.000 1.003 341 F CB 2.271 40.618 39.000 -1.088 0.000 1.151 341 F HN 0.808 nan 8.300 nan 0.000 0.474 342 G N 1.618 110.541 108.800 0.204 0.000 2.727 342 G HA2 0.711 4.672 3.960 0.003 0.000 0.289 342 G HA3 0.711 4.672 3.960 0.003 0.000 0.289 342 G C -1.629 173.528 174.900 0.428 0.000 1.418 342 G CA -1.136 44.183 45.100 0.365 0.000 0.818 342 G HN 0.482 nan 8.290 nan 0.000 0.486 343 R N -0.633 120.068 120.500 0.336 0.000 2.562 343 R HA 0.590 4.932 4.340 0.003 0.000 0.298 343 R C -0.943 175.447 176.300 0.150 0.000 0.961 343 R CA -0.639 55.580 56.100 0.197 0.000 0.881 343 R CB 2.290 32.637 30.300 0.078 0.000 1.159 343 R HN 0.338 nan 8.270 nan 0.000 0.450 344 I N 2.028 122.670 120.570 0.120 0.000 2.410 344 I HA 0.104 4.276 4.170 0.003 0.000 0.286 344 I C -0.287 175.879 176.117 0.082 0.000 1.009 344 I CA -0.370 60.991 61.300 0.102 0.000 1.111 344 I CB 1.738 39.799 38.000 0.101 0.000 1.262 344 I HN 0.703 nan 8.210 nan 0.000 0.443 345 D N 5.251 125.698 120.400 0.078 0.000 2.772 345 D HA -0.198 4.444 4.640 0.003 0.000 0.233 345 D C 1.012 177.352 176.300 0.067 0.000 1.143 345 D CA 1.722 55.763 54.000 0.067 0.000 0.700 345 D CB -0.733 40.100 40.800 0.055 0.000 1.076 345 D HN 1.112 nan 8.370 nan 0.000 0.430 346 G N -0.786 108.059 108.800 0.074 0.000 2.195 346 G HA2 -0.335 3.626 3.960 0.003 0.000 0.246 346 G HA3 -0.335 3.626 3.960 0.003 0.000 0.246 346 G C 0.323 175.211 174.900 -0.020 0.000 0.984 346 G CA 0.233 45.373 45.100 0.067 0.000 0.633 346 G HN 0.594 nan 8.290 nan 0.000 0.525 347 R N 0.947 121.454 120.500 0.011 0.000 2.338 347 R HA 0.502 4.844 4.340 0.003 0.000 0.317 347 R C -2.851 173.479 176.300 0.049 0.000 0.968 347 R CA -2.001 54.106 56.100 0.011 0.000 0.849 347 R CB 1.629 31.954 30.300 0.042 0.000 1.128 347 R HN 0.076 nan 8.270 nan 0.000 0.448 348 P HA -0.003 nan 4.420 nan 0.000 0.268 348 P C -0.806 176.613 177.300 0.199 0.000 1.204 348 P CA -0.255 62.955 63.100 0.184 0.000 0.768 348 P CB 0.883 32.672 31.700 0.148 0.000 0.842 349 V N 0.395 120.470 119.914 0.268 0.000 3.007 349 V HA 0.916 5.038 4.120 0.003 0.000 0.311 349 V C -0.133 176.167 176.094 0.344 0.000 1.120 349 V CA -1.099 61.348 62.300 0.246 0.000 0.980 349 V CB 1.974 33.908 31.823 0.185 0.000 1.033 349 V HN 0.565 nan 8.190 nan 0.000 0.429 350 G N 3.237 112.222 108.800 0.309 0.000 2.335 350 G HA2 0.628 4.590 3.960 0.003 0.000 0.314 350 G HA3 0.628 4.590 3.960 0.003 0.000 0.314 350 G C -0.599 174.499 174.900 0.330 0.000 1.129 350 G CA -0.592 44.725 45.100 0.361 0.000 0.912 350 G HN 0.601 nan 8.290 nan 0.000 0.443 351 I N 2.712 123.444 120.570 0.271 0.000 2.342 351 I HA 0.238 4.410 4.170 0.003 0.000 0.291 351 I C -0.202 175.954 176.117 0.066 0.000 1.010 351 I CA -0.514 60.863 61.300 0.128 0.000 1.308 351 I CB 1.421 39.440 38.000 0.031 0.000 1.400 351 I HN 0.025 nan 8.210 nan 0.000 0.488 352 V N 6.088 126.034 119.914 0.054 0.000 2.409 352 V HA 0.689 4.810 4.120 0.003 0.000 0.290 352 V C 0.037 176.094 176.094 -0.061 0.000 1.017 352 V CA -0.578 61.726 62.300 0.005 0.000 0.841 352 V CB 1.509 33.395 31.823 0.106 0.000 1.003 352 V HN 0.862 nan 8.190 nan 0.000 0.426 353 A N 4.084 126.836 122.820 -0.113 0.000 2.359 353 A HA 0.720 5.042 4.320 0.003 0.000 0.303 353 A C -0.306 177.181 177.584 -0.162 0.000 1.066 353 A CA -0.756 51.187 52.037 -0.156 0.000 0.730 353 A CB 0.834 19.709 19.000 -0.209 0.000 1.211 353 A HN 0.820 nan 8.150 nan 0.000 0.439 354 N N 0.988 119.589 118.700 -0.165 0.000 2.453 354 N HA 0.343 5.085 4.740 0.003 0.000 0.253 354 N C -0.139 175.257 175.510 -0.191 0.000 1.252 354 N CA 0.169 53.121 53.050 -0.163 0.000 0.917 354 N CB 0.408 38.792 38.487 -0.171 0.000 1.117 354 N HN 0.648 nan 8.380 nan 0.000 0.442 355 Q N 1.668 121.364 119.800 -0.174 0.000 2.413 355 Q HA 0.360 4.701 4.340 0.003 0.000 0.258 355 Q C -2.377 173.497 176.000 -0.210 0.000 1.037 355 Q CA -2.140 53.543 55.803 -0.200 0.000 0.764 355 Q CB 1.617 30.268 28.738 -0.145 0.000 1.217 355 Q HN 0.317 nan 8.270 nan 0.000 0.490 356 P HA -0.064 nan 4.420 nan 0.000 0.228 356 P C 0.440 177.610 177.300 -0.216 0.000 1.151 356 P CA 1.000 63.904 63.100 -0.325 0.000 0.770 356 P CB 0.458 31.778 31.700 -0.633 0.000 0.786 357 T N -2.380 112.062 114.554 -0.188 0.000 3.107 357 T HA -0.001 4.350 4.350 0.003 0.000 0.249 357 T C 0.144 174.827 174.700 -0.028 0.000 1.096 357 T CA 0.286 62.326 62.100 -0.099 0.000 1.012 357 T CB -0.508 68.305 68.868 -0.093 0.000 0.977 357 T HN 0.158 nan 8.240 nan 0.000 0.527 358 H N -0.562 118.393 119.070 -0.192 0.000 3.018 358 H HA 0.199 4.757 4.556 0.003 0.000 0.334 358 H C -0.490 174.696 175.328 -0.237 0.000 0.983 358 H CA -0.709 55.157 56.048 -0.303 0.000 1.363 358 H CB 0.321 29.835 29.762 -0.412 0.000 1.668 358 H HN 0.279 nan 8.280 nan 0.000 0.513 359 F N 2.906 122.606 119.950 -0.417 0.000 3.057 359 F HA -0.359 4.170 4.527 0.002 0.000 0.287 359 F C 1.301 176.996 175.800 -0.176 0.000 0.834 359 F CA 0.352 58.173 58.000 -0.299 0.000 1.147 359 F CB -1.682 37.131 39.000 -0.312 0.000 1.245 359 F HN 0.796 nan 8.300 nan 0.000 0.509 360 A N -1.059 121.766 122.820 0.007 0.000 2.799 360 A HA -0.013 4.308 4.320 0.003 0.000 0.274 360 A C 1.931 179.471 177.584 -0.073 0.000 1.393 360 A CA 1.936 53.951 52.037 -0.038 0.000 0.909 360 A CB -1.901 17.090 19.000 -0.014 0.000 1.012 360 A HN 2.447 nan 8.150 nan 0.000 0.653 361 G N -3.720 105.040 108.800 -0.067 0.000 2.175 361 G HA2 -0.148 3.813 3.960 0.003 0.000 0.244 361 G HA3 -0.148 3.813 3.960 0.003 0.000 0.244 361 G C 0.595 175.440 174.900 -0.092 0.000 0.982 361 G CA 0.416 45.455 45.100 -0.103 0.000 0.641 361 G HN 1.656 nan 8.290 nan 0.000 0.527 362 C N 1.112 120.386 119.300 -0.043 0.000 2.657 362 C HA 0.473 4.935 4.460 0.003 0.000 0.420 362 C C 1.543 176.507 174.990 -0.043 0.000 1.323 362 C CA -0.323 58.645 59.018 -0.082 0.000 1.894 362 C CB -0.368 27.339 27.740 -0.055 0.000 2.681 362 C HN 0.497 nan 8.230 nan 0.000 0.613 363 L N 4.376 125.501 121.223 -0.164 0.000 2.436 363 L HA 0.373 4.714 4.340 0.003 0.000 0.265 363 L C 0.346 177.281 176.870 0.109 0.000 1.168 363 L CA 0.453 55.259 54.840 -0.058 0.000 0.815 363 L CB 0.534 42.471 42.059 -0.203 0.000 1.109 363 L HN 0.794 nan 8.230 nan 0.000 0.462 364 D N 0.981 121.470 120.400 0.149 0.000 2.752 364 D HA 0.231 4.872 4.640 0.003 0.000 0.313 364 D C 0.828 177.202 176.300 0.123 0.000 1.225 364 D CA -0.664 53.416 54.000 0.133 0.000 0.976 364 D CB 0.697 41.537 40.800 0.066 0.000 1.443 364 D HN 0.291 nan 8.370 nan 0.000 0.515 365 I N 0.024 120.641 120.570 0.077 0.000 2.118 365 I HA -0.307 3.865 4.170 0.003 0.000 0.241 365 I C 1.781 177.945 176.117 0.080 0.000 1.070 365 I CA 1.508 62.849 61.300 0.069 0.000 1.327 365 I CB -0.424 37.605 38.000 0.049 0.000 1.034 365 I HN 0.312 nan 8.210 nan 0.000 0.405 366 N N 0.897 119.627 118.700 0.051 0.000 2.171 366 N HA -0.084 4.657 4.740 0.003 0.000 0.184 366 N C 1.847 177.364 175.510 0.012 0.000 1.021 366 N CA 1.524 54.589 53.050 0.024 0.000 0.854 366 N CB -0.516 37.847 38.487 -0.207 0.000 0.994 366 N HN 0.354 nan 8.380 nan 0.000 0.426 367 A N 0.498 123.310 122.820 -0.013 0.000 1.933 367 A HA -0.093 4.228 4.320 0.003 0.000 0.218 367 A C 2.438 180.067 177.584 0.075 0.000 1.175 367 A CA 1.688 53.735 52.037 0.016 0.000 0.628 367 A CB -0.654 18.362 19.000 0.026 0.000 0.814 367 A HN 0.257 nan 8.150 nan 0.000 0.444 368 S N -0.281 115.479 115.700 0.100 0.000 2.356 368 S HA -0.166 4.305 4.470 0.003 0.000 0.223 368 S C 1.848 176.525 174.600 0.128 0.000 1.032 368 S CA 1.557 59.829 58.200 0.120 0.000 1.005 368 S CB -0.305 62.977 63.200 0.137 0.000 0.867 368 S HN 0.724 nan 8.310 nan 0.000 0.449 369 E N 0.913 121.193 120.200 0.135 0.000 2.106 369 E HA -0.141 4.211 4.350 0.003 0.000 0.192 369 E C 2.129 178.835 176.600 0.176 0.000 0.984 369 E CA 0.810 57.297 56.400 0.145 0.000 0.806 369 E CB -0.073 29.716 29.700 0.148 0.000 0.750 369 E HN 0.438 nan 8.360 nan 0.000 0.458 370 K N 0.988 121.514 120.400 0.210 0.000 2.025 370 K HA -0.103 4.219 4.320 0.003 0.000 0.207 370 K C 2.115 178.843 176.600 0.212 0.000 1.049 370 K CA 1.256 57.681 56.287 0.230 0.000 0.933 370 K CB -0.084 32.572 32.500 0.259 0.000 0.714 370 K HN 0.062 nan 8.250 nan 0.000 0.438 371 A N 1.049 123.971 122.820 0.170 0.000 1.929 371 A HA 0.034 4.355 4.320 0.003 0.000 0.216 371 A C 2.341 180.070 177.584 0.242 0.000 1.176 371 A CA 1.477 53.629 52.037 0.192 0.000 0.628 371 A CB -0.728 18.343 19.000 0.118 0.000 0.816 371 A HN 0.493 nan 8.150 nan 0.000 0.444 372 A N -0.336 122.598 122.820 0.191 0.000 1.865 372 A HA -0.202 4.120 4.320 0.003 0.000 0.217 372 A C 2.302 179.988 177.584 0.168 0.000 1.191 372 A CA 1.739 53.881 52.037 0.176 0.000 0.623 372 A CB -0.539 18.548 19.000 0.146 0.000 0.826 372 A HN 0.357 nan 8.150 nan 0.000 0.444 373 R N -1.640 118.961 120.500 0.169 0.000 2.092 373 R HA -0.105 4.236 4.340 0.003 0.000 0.231 373 R C 1.940 178.334 176.300 0.157 0.000 1.119 373 R CA 1.538 57.720 56.100 0.137 0.000 0.970 373 R CB -0.858 29.527 30.300 0.142 0.000 0.864 373 R HN 0.577 nan 8.270 nan 0.000 0.440 374 F N 0.915 120.927 119.950 0.104 0.000 2.069 374 F HA -0.234 4.294 4.527 0.002 0.000 0.298 374 F C 2.252 178.109 175.800 0.095 0.000 1.113 374 F CA 1.420 59.482 58.000 0.104 0.000 1.214 374 F CB -0.526 38.525 39.000 0.084 0.000 0.978 374 F HN -0.250 nan 8.300 nan 0.000 0.474 375 V N 1.037 121.017 119.914 0.110 0.000 2.287 375 V HA -0.344 3.777 4.120 0.003 0.000 0.248 375 V C 2.546 178.608 176.094 -0.052 0.000 1.053 375 V CA 2.419 64.736 62.300 0.028 0.000 1.027 375 V CB -0.658 31.264 31.823 0.166 0.000 0.646 375 V HN 0.304 nan 8.190 nan 0.000 0.447 376 R N -0.612 119.883 120.500 -0.008 0.000 2.120 376 R HA -0.127 4.214 4.340 0.003 0.000 0.234 376 R C 2.346 178.580 176.300 -0.110 0.000 1.123 376 R CA 1.799 57.877 56.100 -0.038 0.000 0.975 376 R CB -0.645 29.659 30.300 0.007 0.000 0.866 376 R HN 0.529 nan 8.270 nan 0.000 0.446 377 T N 0.463 114.948 114.554 -0.116 0.000 2.737 377 T HA -0.168 4.183 4.350 0.003 0.000 0.265 377 T C 2.107 176.780 174.700 -0.045 0.000 1.038 377 T CA 1.300 63.345 62.100 -0.092 0.000 1.144 377 T CB -0.364 68.466 68.868 -0.062 0.000 0.866 377 T HN 0.338 nan 8.240 nan 0.000 0.434 378 C N 1.358 120.574 119.300 -0.139 0.000 2.398 378 C HA -0.136 4.325 4.460 0.003 0.000 0.276 378 C C 2.662 177.624 174.990 -0.046 0.000 1.222 378 C CA 0.896 59.879 59.018 -0.059 0.000 1.746 378 C CB -1.096 26.538 27.740 -0.178 0.000 2.039 378 C HN 0.645 nan 8.230 nan 0.000 0.470 379 D N -0.340 119.998 120.400 -0.104 0.000 2.092 379 D HA -0.143 4.498 4.640 0.003 0.000 0.193 379 D C 2.059 178.256 176.300 -0.171 0.000 0.994 379 D CA 1.695 55.626 54.000 -0.114 0.000 0.828 379 D CB -0.301 40.431 40.800 -0.114 0.000 0.963 379 D HN 0.500 nan 8.370 nan 0.000 0.450 380 C N -0.400 118.717 119.300 -0.304 0.000 2.391 380 C HA -0.163 4.299 4.460 0.003 0.000 0.276 380 C C 1.805 176.431 174.990 -0.606 0.000 1.217 380 C CA 0.519 59.184 59.018 -0.589 0.000 1.766 380 C CB -1.392 25.726 27.740 -1.035 0.000 2.046 380 C HN 0.303 nan 8.230 nan 0.000 0.475 381 F N 1.063 121.013 119.950 0.000 0.000 2.750 381 F HA 0.267 4.796 4.527 0.002 0.000 0.297 381 F C 0.752 176.553 175.800 0.002 0.000 1.138 381 F CA -0.579 57.425 58.000 0.006 0.000 1.346 381 F CB -1.139 37.872 39.000 0.018 0.000 0.965 381 F HN 0.173 nan 8.300 nan 0.000 0.514 382 N N 0.801 119.551 118.700 0.082 0.000 2.754 382 N HA -0.225 4.516 4.740 0.003 0.000 0.248 382 N C -0.496 175.055 175.510 0.069 0.000 1.093 382 N CA 0.562 53.645 53.050 0.055 0.000 0.699 382 N CB -1.731 36.790 38.487 0.057 0.000 1.016 382 N HN 0.351 nan 8.380 nan 0.000 0.552 383 I N 1.087 121.708 120.570 0.086 0.000 2.312 383 I HA 0.255 4.427 4.170 0.003 0.000 0.290 383 I C -1.970 174.200 176.117 0.088 0.000 1.008 383 I CA -1.899 59.470 61.300 0.116 0.000 1.226 383 I CB 1.323 39.445 38.000 0.204 0.000 1.371 383 I HN -0.250 nan 8.210 nan 0.000 0.468 384 P HA 0.063 nan 4.420 nan 0.000 0.266 384 P C -0.680 176.678 177.300 0.097 0.000 1.193 384 P CA 0.244 63.388 63.100 0.072 0.000 0.770 384 P CB 0.447 32.194 31.700 0.077 0.000 0.836 385 I N 2.376 122.992 120.570 0.076 0.000 2.330 385 I HA 0.187 4.358 4.170 0.003 0.000 0.289 385 I C -0.352 175.848 176.117 0.138 0.000 1.001 385 I CA -0.614 60.759 61.300 0.122 0.000 1.193 385 I CB 1.268 39.335 38.000 0.111 0.000 1.345 385 I HN -0.040 nan 8.210 nan 0.000 0.461 386 V N 7.563 127.562 119.914 0.141 0.000 2.328 386 V HA 0.388 4.509 4.120 0.003 0.000 0.278 386 V C 0.244 176.385 176.094 0.077 0.000 1.021 386 V CA -0.415 61.947 62.300 0.104 0.000 0.838 386 V CB 1.250 33.127 31.823 0.089 0.000 0.999 386 V HN 0.674 nan 8.190 nan 0.000 0.447 387 M N 5.849 125.481 119.600 0.054 0.000 2.264 387 M HA 0.571 5.052 4.480 0.003 0.000 0.352 387 M C -0.978 175.272 176.300 -0.082 0.000 1.173 387 M CA -0.297 54.994 55.300 -0.014 0.000 1.075 387 M CB 1.483 34.055 32.600 -0.047 0.000 1.621 387 M HN 0.421 nan 8.290 nan 0.000 0.457 388 L N 3.967 125.114 121.223 -0.127 0.000 2.343 388 L HA 0.620 4.961 4.340 0.003 0.000 0.278 388 L C -1.068 175.678 176.870 -0.206 0.000 0.996 388 L CA -0.904 53.819 54.840 -0.195 0.000 0.831 388 L CB 1.656 43.594 42.059 -0.202 0.000 1.232 388 L HN 0.365 nan 8.230 nan 0.000 0.413 389 V N 1.802 121.575 119.914 -0.235 0.000 2.448 389 V HA 0.504 4.625 4.120 0.003 0.000 0.295 389 V C -0.831 175.142 176.094 -0.202 0.000 1.025 389 V CA -0.308 61.868 62.300 -0.206 0.000 0.859 389 V CB 1.989 33.699 31.823 -0.189 0.000 0.988 389 V HN 0.691 nan 8.190 nan 0.000 0.431 390 D N 3.595 123.884 120.400 -0.184 0.000 2.445 390 D HA 0.236 4.878 4.640 0.003 0.000 0.236 390 D C -1.663 174.521 176.300 -0.193 0.000 1.315 390 D CA -0.013 53.887 54.000 -0.168 0.000 0.924 390 D CB 1.728 42.467 40.800 -0.102 0.000 1.447 390 D HN 0.348 nan 8.370 nan 0.000 0.532 391 V N 5.262 125.040 119.914 -0.227 0.000 2.447 391 V HA 0.460 4.582 4.120 0.003 0.000 0.292 391 V C -2.075 173.859 176.094 -0.267 0.000 1.021 391 V CA -1.986 60.173 62.300 -0.235 0.000 0.850 391 V CB 2.364 34.036 31.823 -0.251 0.000 1.005 391 V HN 0.186 nan 8.190 nan 0.000 0.426 392 P HA 0.280 nan 4.420 nan 0.000 0.233 392 P C 0.659 177.970 177.300 0.018 0.000 1.167 392 P CA 1.358 64.396 63.100 -0.104 0.000 0.770 392 P CB 0.140 31.831 31.700 -0.015 0.000 0.837 393 G N -1.919 106.794 108.800 -0.144 0.000 2.332 393 G HA2 0.151 4.113 3.960 0.003 0.000 0.265 393 G HA3 0.151 4.113 3.960 0.003 0.000 0.265 393 G C -1.697 172.953 174.900 -0.418 0.000 1.329 393 G CA -0.914 44.075 45.100 -0.186 0.000 0.949 393 G HN -0.073 nan 8.290 nan 0.000 0.476 394 F N 0.032 119.975 119.950 -0.011 0.000 2.458 394 F HA 0.652 5.181 4.527 0.003 0.000 0.330 394 F C 0.619 176.371 175.800 -0.081 0.000 1.082 394 F CA -0.742 57.233 58.000 -0.041 0.000 0.995 394 F CB 1.852 40.830 39.000 -0.038 0.000 1.170 394 F HN 0.406 nan 8.300 nan 0.000 0.478 395 L N 5.845 127.082 121.223 0.025 0.000 2.597 395 L HA 0.262 4.603 4.340 0.003 0.000 0.271 395 L C -2.341 174.464 176.870 -0.108 0.000 1.157 395 L CA -1.208 53.541 54.840 -0.151 0.000 0.928 395 L CB -0.421 41.408 42.059 -0.383 0.000 1.216 395 L HN 0.283 nan 8.230 nan 0.000 0.481 396 P HA 0.588 nan 4.420 nan 0.000 0.275 396 P C -0.571 176.651 177.300 -0.130 0.000 1.228 396 P CA -0.357 62.691 63.100 -0.085 0.000 0.786 396 P CB 1.330 32.995 31.700 -0.060 0.000 0.927 397 G N -0.206 108.513 108.800 -0.136 0.000 2.405 397 G HA2 0.272 4.233 3.960 0.003 0.000 0.303 397 G HA3 0.272 4.233 3.960 0.003 0.000 0.303 397 G C 0.599 175.359 174.900 -0.232 0.000 1.644 397 G CA -0.027 44.973 45.100 -0.167 0.000 0.899 397 G HN 0.507 nan 8.290 nan 0.000 0.667 398 T N -1.600 112.774 114.554 -0.300 0.000 2.720 398 T HA -0.122 4.229 4.350 0.003 0.000 0.268 398 T C 1.472 175.697 174.700 -0.791 0.000 1.037 398 T CA 2.312 64.060 62.100 -0.588 0.000 1.144 398 T CB -0.198 68.318 68.868 -0.587 0.000 0.864 398 T HN 0.329 nan 8.240 nan 0.000 0.444 399 D N 0.981 121.124 120.400 -0.427 0.000 2.218 399 D HA -0.078 4.564 4.640 0.003 0.000 0.204 399 D C 2.460 178.678 176.300 -0.137 0.000 0.976 399 D CA 0.747 54.618 54.000 -0.215 0.000 0.853 399 D CB -0.198 40.561 40.800 -0.068 0.000 0.939 399 D HN 0.455 nan 8.370 nan 0.000 0.481 400 Q N 0.577 120.282 119.800 -0.158 0.000 2.096 400 Q HA -0.141 4.200 4.340 0.003 0.000 0.204 400 Q C 2.003 177.948 176.000 -0.092 0.000 0.982 400 Q CA 0.931 56.672 55.803 -0.103 0.000 0.850 400 Q CB -0.085 28.591 28.738 -0.103 0.000 0.901 400 Q HN 0.409 nan 8.270 nan 0.000 0.422 401 E N -0.049 120.057 120.200 -0.156 0.000 2.028 401 E HA -0.107 4.244 4.350 0.003 0.000 0.190 401 E C 2.108 178.754 176.600 0.077 0.000 0.984 401 E CA 0.849 57.203 56.400 -0.076 0.000 0.800 401 E CB -0.405 29.231 29.700 -0.106 0.000 0.758 401 E HN 0.568 nan 8.360 nan 0.000 0.448 402 Y N 0.986 121.273 120.300 -0.022 0.000 2.256 402 Y HA -0.143 4.409 4.550 0.003 0.000 0.288 402 Y C 1.947 177.839 175.900 -0.013 0.000 1.155 402 Y CA 0.434 58.524 58.100 -0.016 0.000 1.203 402 Y CB 0.011 38.463 38.460 -0.013 0.000 0.980 402 Y HN 0.056 nan 8.280 nan 0.000 0.530 403 N N -0.867 117.916 118.700 0.139 0.000 2.373 403 N HA 0.081 4.823 4.740 0.003 0.000 0.181 403 N C 1.006 176.545 175.510 0.049 0.000 1.082 403 N CA 1.097 54.195 53.050 0.081 0.000 0.885 403 N CB 0.924 39.448 38.487 0.062 0.000 0.977 403 N HN 0.396 nan 8.380 nan 0.000 0.462 404 G N 1.029 109.851 108.800 0.036 0.000 2.245 404 G HA2 -0.198 3.764 3.960 0.003 0.000 0.130 404 G HA3 -0.198 3.764 3.960 0.003 0.000 0.130 404 G C 0.719 175.614 174.900 -0.008 0.000 1.040 404 G CA -0.067 45.043 45.100 0.016 0.000 0.713 404 G HN 0.205 nan 8.290 nan 0.000 0.488 405 I N 0.435 120.987 120.570 -0.030 0.000 2.248 405 I HA -0.127 4.045 4.170 0.003 0.000 0.248 405 I C 2.483 178.537 176.117 -0.106 0.000 1.107 405 I CA 1.991 63.252 61.300 -0.065 0.000 1.373 405 I CB -0.208 37.731 38.000 -0.101 0.000 1.055 405 I HN 0.523 nan 8.210 nan 0.000 0.418 406 I N 0.037 120.548 120.570 -0.099 0.000 2.113 406 I HA -0.317 3.855 4.170 0.003 0.000 0.238 406 I C 2.722 178.802 176.117 -0.061 0.000 1.070 406 I CA 1.841 63.079 61.300 -0.104 0.000 1.332 406 I CB -0.583 37.370 38.000 -0.077 0.000 1.044 406 I HN 0.209 nan 8.210 nan 0.000 0.402 407 R N 1.170 121.650 120.500 -0.032 0.000 2.096 407 R HA -0.136 4.206 4.340 0.003 0.000 0.235 407 R C 2.345 178.640 176.300 -0.007 0.000 1.127 407 R CA 1.507 57.597 56.100 -0.016 0.000 0.968 407 R CB -0.037 30.257 30.300 -0.010 0.000 0.861 407 R HN 0.304 nan 8.270 nan 0.000 0.440 408 R N -1.083 119.415 120.500 -0.003 0.000 2.156 408 R HA 0.117 4.458 4.340 0.003 0.000 0.207 408 R C 2.305 178.626 176.300 0.035 0.000 1.040 408 R CA 0.745 56.857 56.100 0.019 0.000 1.013 408 R CB -0.063 30.255 30.300 0.030 0.000 0.931 408 R HN 0.315 nan 8.270 nan 0.000 0.465 409 G N 1.010 109.818 108.800 0.013 0.000 2.422 409 G HA2 -0.222 3.739 3.960 0.003 0.000 0.218 409 G HA3 -0.222 3.739 3.960 0.003 0.000 0.218 409 G C 1.528 176.461 174.900 0.056 0.000 1.140 409 G CA 0.664 45.789 45.100 0.041 0.000 0.775 409 G HN 0.353 nan 8.290 nan 0.000 0.545 410 A N 0.900 123.734 122.820 0.023 0.000 2.024 410 A HA -0.016 4.306 4.320 0.003 0.000 0.220 410 A C 2.240 179.889 177.584 0.108 0.000 1.164 410 A CA 1.862 53.932 52.037 0.054 0.000 0.643 410 A CB -0.328 18.692 19.000 0.035 0.000 0.806 410 A HN 0.405 nan 8.150 nan 0.000 0.451 411 K N -0.590 119.864 120.400 0.091 0.000 2.113 411 K HA -0.093 4.229 4.320 0.003 0.000 0.208 411 K C 1.853 178.554 176.600 0.168 0.000 1.047 411 K CA 1.384 57.738 56.287 0.111 0.000 0.928 411 K CB -0.302 32.240 32.500 0.069 0.000 0.716 411 K HN 0.531 nan 8.250 nan 0.000 0.446 412 L N 0.928 122.240 121.223 0.148 0.000 2.131 412 L HA -0.111 4.231 4.340 0.003 0.000 0.206 412 L C 2.053 179.019 176.870 0.160 0.000 1.087 412 L CA 0.832 55.765 54.840 0.154 0.000 0.767 412 L CB -0.078 42.058 42.059 0.127 0.000 0.917 412 L HN 0.220 nan 8.230 nan 0.000 0.441 413 L N -1.134 120.173 121.223 0.139 0.000 1.990 413 L HA -0.332 4.009 4.340 0.003 0.000 0.213 413 L C 2.510 179.469 176.870 0.148 0.000 1.072 413 L CA 1.880 56.793 54.840 0.122 0.000 0.755 413 L CB -0.803 41.313 42.059 0.094 0.000 0.889 413 L HN 0.262 nan 8.230 nan 0.000 0.432 414 Y N 0.305 120.644 120.300 0.065 0.000 2.097 414 Y HA -0.350 4.202 4.550 0.003 0.000 0.282 414 Y C 2.513 178.448 175.900 0.059 0.000 1.152 414 Y CA 1.667 59.798 58.100 0.052 0.000 1.136 414 Y CB -0.298 38.185 38.460 0.038 0.000 0.975 414 Y HN 0.147 nan 8.280 nan 0.000 0.498 415 A N -0.599 122.405 122.820 0.307 0.000 1.892 415 A HA -0.300 4.022 4.320 0.003 0.000 0.218 415 A C 2.147 179.795 177.584 0.107 0.000 1.188 415 A CA 2.024 54.188 52.037 0.212 0.000 0.631 415 A CB -1.625 17.495 19.000 0.201 0.000 0.822 415 A HN 0.716 nan 8.150 nan 0.000 0.447 416 Y N 0.414 120.721 120.300 0.011 0.000 2.200 416 Y HA 0.007 4.559 4.550 0.002 0.000 0.290 416 Y C 2.581 178.438 175.900 -0.072 0.000 1.137 416 Y CA 1.409 59.494 58.100 -0.024 0.000 1.163 416 Y CB -0.652 37.796 38.460 -0.021 0.000 0.988 416 Y HN 0.270 nan 8.280 nan 0.000 0.518 417 G N -0.482 108.336 108.800 0.030 0.000 2.442 417 G HA2 -0.315 3.647 3.960 0.003 0.000 0.219 417 G HA3 -0.315 3.647 3.960 0.003 0.000 0.219 417 G C 1.542 176.318 174.900 -0.205 0.000 1.141 417 G CA 1.004 46.047 45.100 -0.094 0.000 0.763 417 G HN 0.521 nan 8.290 nan 0.000 0.554 418 E N 0.576 120.617 120.200 -0.265 0.000 2.208 418 E HA 0.208 4.559 4.350 0.003 0.000 0.193 418 E C 1.516 178.012 176.600 -0.172 0.000 0.988 418 E CA 0.204 56.455 56.400 -0.249 0.000 0.828 418 E CB -0.103 29.444 29.700 -0.255 0.000 0.763 418 E HN 0.337 nan 8.360 nan 0.000 0.478 419 A N 0.603 123.304 122.820 -0.197 0.000 2.462 419 A HA 0.126 4.448 4.320 0.003 0.000 0.243 419 A C 0.873 178.343 177.584 -0.191 0.000 1.076 419 A CA 0.541 52.458 52.037 -0.200 0.000 0.773 419 A CB 0.416 19.250 19.000 -0.277 0.000 1.010 419 A HN 0.340 nan 8.150 nan 0.000 0.493 420 T N -0.797 113.674 114.554 -0.139 0.000 3.004 420 T HA 0.298 4.650 4.350 0.003 0.000 0.266 420 T C 0.552 175.199 174.700 -0.088 0.000 0.986 420 T CA 0.500 62.535 62.100 -0.109 0.000 0.902 420 T CB -1.278 67.543 68.868 -0.079 0.000 1.118 420 T HN 1.199 nan 8.240 nan 0.000 0.522 421 V N -0.104 119.756 119.914 -0.090 0.000 3.287 421 V HA 0.396 4.518 4.120 0.003 0.000 0.306 421 V C -2.622 173.437 176.094 -0.058 0.000 1.103 421 V CA -2.117 60.149 62.300 -0.056 0.000 1.159 421 V CB -0.530 31.270 31.823 -0.039 0.000 1.036 421 V HN 0.002 nan 8.190 nan 0.000 0.487 422 P HA 0.212 nan 4.420 nan 0.000 0.266 422 P C -0.832 176.460 177.300 -0.014 0.000 1.193 422 P CA 0.342 63.436 63.100 -0.009 0.000 0.770 422 P CB 0.167 31.879 31.700 0.020 0.000 0.836 423 K N 2.800 123.196 120.400 -0.007 0.000 2.578 423 K HA 0.549 4.870 4.320 0.003 0.000 0.250 423 K C -0.820 175.827 176.600 0.079 0.000 0.955 423 K CA -0.365 55.932 56.287 0.016 0.000 0.825 423 K CB 1.377 33.823 32.500 -0.090 0.000 1.151 423 K HN 0.356 nan 8.250 nan 0.000 0.432 424 I N 1.832 122.463 120.570 0.102 0.000 2.466 424 I HA 0.325 4.497 4.170 0.003 0.000 0.289 424 I C -0.531 175.638 176.117 0.086 0.000 1.026 424 I CA -0.594 60.763 61.300 0.095 0.000 1.078 424 I CB 2.424 40.479 38.000 0.092 0.000 1.249 424 I HN 0.431 nan 8.210 nan 0.000 0.429 425 T N 5.230 119.820 114.554 0.059 0.000 2.841 425 T HA 0.578 4.929 4.350 0.003 0.000 0.283 425 T C -0.597 174.084 174.700 -0.032 0.000 1.000 425 T CA -0.518 61.584 62.100 0.003 0.000 0.977 425 T CB 2.096 70.949 68.868 -0.026 0.000 0.979 425 T HN 0.184 nan 8.240 nan 0.000 0.446 426 V N 4.416 124.275 119.914 -0.093 0.000 2.407 426 V HA 0.453 4.574 4.120 0.003 0.000 0.291 426 V C -0.183 175.745 176.094 -0.278 0.000 1.018 426 V CA -0.830 61.367 62.300 -0.171 0.000 0.842 426 V CB 1.274 32.979 31.823 -0.197 0.000 0.996 426 V HN 0.810 nan 8.190 nan 0.000 0.426 427 I N 4.704 125.126 120.570 -0.246 0.000 2.337 427 I HA 0.192 4.363 4.170 0.003 0.000 0.291 427 I C 1.638 177.500 176.117 -0.425 0.000 1.046 427 I CA 0.044 61.191 61.300 -0.256 0.000 1.324 427 I CB 1.592 39.522 38.000 -0.117 0.000 1.409 427 I HN 0.831 nan 8.210 nan 0.000 0.494 428 T N 2.909 117.141 114.554 -0.537 0.000 2.976 428 T HA 0.103 4.454 4.350 0.003 0.000 0.257 428 T C 1.313 175.896 174.700 -0.194 0.000 1.051 428 T CA 0.439 62.106 62.100 -0.721 0.000 1.141 428 T CB 0.427 68.745 68.868 -0.918 0.000 0.881 428 T HN 0.640 nan 8.240 nan 0.000 0.461 429 R N 0.349 120.769 120.500 -0.133 0.000 2.899 429 R HA 0.396 4.737 4.340 0.003 0.000 0.095 429 R C -0.828 175.397 176.300 -0.124 0.000 0.792 429 R CA -0.632 55.435 56.100 -0.054 0.000 0.613 429 R CB 0.420 30.749 30.300 0.049 0.000 0.531 429 R HN 0.004 nan 8.270 nan 0.000 0.341 430 K N 0.566 120.850 120.400 -0.194 0.000 2.295 430 K HA 0.448 4.770 4.320 0.003 0.000 0.270 430 K C -1.103 175.276 176.600 -0.368 0.000 1.011 430 K CA 0.278 56.305 56.287 -0.432 0.000 0.953 430 K CB 1.531 33.645 32.500 -0.645 0.000 0.956 430 K HN 0.467 nan 8.250 nan 0.000 0.477 431 A N 3.702 126.285 122.820 -0.395 0.000 2.741 431 A HA 0.332 4.654 4.320 0.003 0.000 0.298 431 A C -1.645 175.974 177.584 0.059 0.000 1.153 431 A CA -0.621 51.351 52.037 -0.109 0.000 0.816 431 A CB 0.186 19.249 19.000 0.105 0.000 1.396 431 A HN 0.707 nan 8.150 nan 0.000 0.407 432 Y N 1.251 121.571 120.300 0.034 0.000 2.393 432 Y HA 0.569 5.121 4.550 0.003 0.000 0.341 432 Y C 1.223 177.156 175.900 0.055 0.000 0.988 432 Y CA -0.108 58.009 58.100 0.028 0.000 1.078 432 Y CB 2.197 40.662 38.460 0.009 0.000 1.203 432 Y HN 1.323 nan 8.280 nan 0.000 0.453 433 G N 1.452 110.390 108.800 0.231 0.000 2.569 433 G HA2 -0.298 3.664 3.960 0.003 0.000 0.259 433 G HA3 -0.298 3.664 3.960 0.003 0.000 0.259 433 G C 1.104 176.138 174.900 0.222 0.000 1.263 433 G CA -0.107 45.098 45.100 0.175 0.000 0.928 433 G HN 1.109 nan 8.290 nan 0.000 0.572 434 G N -0.272 108.676 108.800 0.247 0.000 2.462 434 G HA2 0.206 4.167 3.960 0.003 0.000 0.220 434 G HA3 0.206 4.167 3.960 0.003 0.000 0.220 434 G C 2.068 177.144 174.900 0.295 0.000 1.121 434 G CA 2.854 48.129 45.100 0.291 0.000 0.758 434 G HN 1.927 nan 8.290 nan 0.000 0.559 435 A N 0.180 123.090 122.820 0.150 0.000 1.930 435 A HA -0.006 4.315 4.320 0.003 0.000 0.217 435 A C 2.105 179.624 177.584 -0.108 0.000 1.175 435 A CA 1.583 53.490 52.037 -0.217 0.000 0.627 435 A CB -0.635 18.010 19.000 -0.592 0.000 0.815 435 A HN 0.544 nan 8.150 nan 0.000 0.443 436 Y N 0.504 120.754 120.300 -0.082 0.000 2.151 436 Y HA -0.354 4.197 4.550 0.003 0.000 0.284 436 Y C 2.408 178.251 175.900 -0.095 0.000 1.166 436 Y CA 1.732 59.783 58.100 -0.081 0.000 1.163 436 Y CB -0.926 37.521 38.460 -0.022 0.000 0.974 436 Y HN 0.372 nan 8.280 nan 0.000 0.511 437 C N -0.742 118.407 119.300 -0.250 0.000 2.432 437 C HA -0.165 4.296 4.460 0.003 0.000 0.277 437 C C 2.804 177.596 174.990 -0.330 0.000 1.249 437 C CA 1.097 59.922 59.018 -0.321 0.000 1.725 437 C CB -1.333 26.384 27.740 -0.038 0.000 2.028 437 C HN 0.532 nan 8.230 nan 0.000 0.477 438 V N 0.571 120.374 119.914 -0.184 0.000 2.332 438 V HA -0.180 3.941 4.120 0.003 0.000 0.248 438 V C 1.587 177.472 176.094 -0.348 0.000 1.055 438 V CA 1.431 63.633 62.300 -0.164 0.000 1.038 438 V CB -0.470 31.359 31.823 0.011 0.000 0.651 438 V HN 0.531 nan 8.190 nan 0.000 0.450 439 M N 0.687 120.058 119.600 -0.380 0.000 3.709 439 M HA 0.314 4.795 4.480 0.003 0.000 0.202 439 M C 1.228 177.208 176.300 -0.533 0.000 1.360 439 M CA 0.472 55.528 55.300 -0.406 0.000 1.600 439 M CB -0.959 31.467 32.600 -0.291 0.000 1.061 439 M HN 0.509 nan 8.290 nan 0.000 0.575 440 G N 1.243 109.538 108.800 -0.841 0.000 2.182 440 G HA2 -0.226 3.735 3.960 0.003 0.000 0.248 440 G HA3 -0.226 3.735 3.960 0.003 0.000 0.248 440 G C 0.317 174.961 174.900 -0.427 0.000 1.042 440 G CA 0.439 45.057 45.100 -0.804 0.000 0.775 440 G HN 0.720 nan 8.290 nan 0.000 0.501 441 S N -0.822 114.545 115.700 -0.556 0.000 2.563 441 S HA 0.352 4.823 4.470 0.003 0.000 0.284 441 S C 1.606 176.081 174.600 -0.209 0.000 1.331 441 S CA 0.733 58.604 58.200 -0.547 0.000 1.047 441 S CB 1.646 64.323 63.200 -0.872 0.000 0.859 441 S HN 0.638 nan 8.310 nan 0.000 0.514 442 K N 1.418 121.748 120.400 -0.117 0.000 2.059 442 K HA -0.201 4.121 4.320 0.003 0.000 0.212 442 K C 1.185 177.758 176.600 -0.044 0.000 1.050 442 K CA 2.366 58.640 56.287 -0.021 0.000 0.927 442 K CB -0.678 31.856 32.500 0.057 0.000 0.714 442 K HN 0.760 nan 8.250 nan 0.000 0.447 443 D N -0.710 119.609 120.400 -0.134 0.000 2.355 443 D HA -0.049 4.593 4.640 0.003 0.000 0.218 443 D C 1.147 177.417 176.300 -0.050 0.000 1.004 443 D CA 0.395 54.341 54.000 -0.090 0.000 0.880 443 D CB 0.163 40.878 40.800 -0.141 0.000 0.911 443 D HN 0.230 nan 8.370 nan 0.000 0.528 444 M N -0.521 119.050 119.600 -0.047 0.000 2.618 444 M HA 0.110 4.592 4.480 0.003 0.000 0.240 444 M C 1.030 177.401 176.300 0.118 0.000 1.123 444 M CA 0.328 55.651 55.300 0.039 0.000 1.060 444 M CB -0.133 32.483 32.600 0.025 0.000 1.535 444 M HN 0.100 nan 8.290 nan 0.000 0.507 445 G N 0.523 109.368 108.800 0.073 0.000 2.141 445 G HA2 -0.197 3.765 3.960 0.003 0.000 0.195 445 G HA3 -0.197 3.765 3.960 0.003 0.000 0.195 445 G C 0.094 175.026 174.900 0.054 0.000 1.012 445 G CA -0.015 45.106 45.100 0.036 0.000 0.696 445 G HN 0.507 nan 8.290 nan 0.000 0.508 446 C N 0.744 120.134 119.300 0.151 0.000 2.637 446 C HA 0.517 4.979 4.460 0.003 0.000 0.418 446 C C 1.763 176.800 174.990 0.079 0.000 1.319 446 C CA 0.262 59.374 59.018 0.158 0.000 1.949 446 C CB 0.081 27.942 27.740 0.202 0.000 2.639 446 C HN 0.518 nan 8.230 nan 0.000 0.594 447 D N 2.275 122.710 120.400 0.058 0.000 2.149 447 D HA 0.041 4.683 4.640 0.003 0.000 0.206 447 D C 0.176 176.516 176.300 0.067 0.000 0.967 447 D CA 1.435 55.464 54.000 0.048 0.000 0.848 447 D CB 0.152 40.971 40.800 0.031 0.000 0.998 447 D HN 0.416 nan 8.370 nan 0.000 0.474 448 V N 1.440 121.400 119.914 0.078 0.000 2.483 448 V HA 0.288 4.409 4.120 0.003 0.000 0.297 448 V C -0.912 175.232 176.094 0.084 0.000 1.027 448 V CA -0.802 61.552 62.300 0.089 0.000 0.855 448 V CB 1.736 33.621 31.823 0.102 0.000 0.995 448 V HN -0.058 nan 8.190 nan 0.000 0.424 449 N N 4.634 123.382 118.700 0.080 0.000 2.407 449 N HA 0.759 5.501 4.740 0.003 0.000 0.277 449 N C -1.146 174.389 175.510 0.042 0.000 0.995 449 N CA -0.423 52.665 53.050 0.063 0.000 0.903 449 N CB 1.753 40.290 38.487 0.083 0.000 1.218 449 N HN 0.552 nan 8.380 nan 0.000 0.487 450 L N 1.161 122.391 121.223 0.010 0.000 2.319 450 L HA 0.972 5.314 4.340 0.003 0.000 0.267 450 L C -0.326 176.525 176.870 -0.030 0.000 1.011 450 L CA -1.103 53.721 54.840 -0.027 0.000 0.818 450 L CB 1.834 43.865 42.059 -0.047 0.000 1.316 450 L HN 0.485 nan 8.230 nan 0.000 0.432 451 A N 0.296 123.106 122.820 -0.016 0.000 2.515 451 A HA 0.710 5.032 4.320 0.003 0.000 0.298 451 A C -1.880 175.791 177.584 0.146 0.000 1.059 451 A CA -0.512 51.522 52.037 -0.006 0.000 0.698 451 A CB 1.009 19.979 19.000 -0.050 0.000 1.289 451 A HN 0.515 nan 8.150 nan 0.000 0.404 452 W N 1.279 122.501 121.300 -0.130 0.000 2.215 452 W HA 0.466 5.127 4.660 0.003 0.000 0.342 452 W C -1.927 174.503 176.519 -0.148 0.000 1.237 452 W CA -1.782 55.482 57.345 -0.134 0.000 1.283 452 W CB -0.126 29.264 29.460 -0.117 0.000 1.131 452 W HN 0.490 nan 8.180 nan 0.000 0.606 453 P HA -0.116 nan 4.420 nan 0.000 0.228 453 P C 1.141 178.447 177.300 0.010 0.000 1.151 453 P CA 1.843 64.935 63.100 -0.014 0.000 0.770 453 P CB -0.071 31.626 31.700 -0.005 0.000 0.786 454 T N -4.034 110.562 114.554 0.070 0.000 3.129 454 T HA 0.364 4.716 4.350 0.003 0.000 0.251 454 T C 0.961 175.682 174.700 0.034 0.000 1.117 454 T CA -0.225 61.911 62.100 0.060 0.000 1.034 454 T CB -0.548 68.370 68.868 0.084 0.000 0.968 454 T HN 0.041 nan 8.240 nan 0.000 0.526 455 A N 1.656 124.484 122.820 0.013 0.000 2.546 455 A HA 0.309 4.631 4.320 0.003 0.000 0.243 455 A C 0.202 177.766 177.584 -0.032 0.000 1.063 455 A CA -0.090 51.925 52.037 -0.036 0.000 0.757 455 A CB -0.028 18.935 19.000 -0.062 0.000 0.991 455 A HN 0.586 nan 8.150 nan 0.000 0.503 456 Q N 1.790 121.573 119.800 -0.028 0.000 2.464 456 Q HA 0.468 4.810 4.340 0.003 0.000 0.256 456 Q C -1.342 174.707 176.000 0.080 0.000 1.020 456 Q CA 0.111 55.943 55.803 0.048 0.000 0.716 456 Q CB 1.418 30.217 28.738 0.102 0.000 1.230 456 Q HN 0.739 nan 8.270 nan 0.000 0.494 457 I N 1.714 122.321 120.570 0.062 0.000 2.362 457 I HA 0.840 5.011 4.170 0.003 0.000 0.289 457 I C -0.219 175.922 176.117 0.041 0.000 0.994 457 I CA -0.603 60.710 61.300 0.022 0.000 1.158 457 I CB 1.566 39.512 38.000 -0.090 0.000 1.315 457 I HN 0.533 nan 8.210 nan 0.000 0.451 458 A N 4.397 127.282 122.820 0.108 0.000 2.567 458 A HA 0.476 4.798 4.320 0.003 0.000 0.291 458 A C 0.241 177.845 177.584 0.034 0.000 1.048 458 A CA -0.531 51.535 52.037 0.049 0.000 0.661 458 A CB 0.798 19.832 19.000 0.058 0.000 1.288 458 A HN 0.346 nan 8.150 nan 0.000 0.424 459 V N 0.369 120.277 119.914 -0.011 0.000 2.407 459 V HA -0.002 4.120 4.120 0.003 0.000 0.248 459 V C 1.020 177.075 176.094 -0.065 0.000 1.055 459 V CA 2.685 64.972 62.300 -0.020 0.000 1.049 459 V CB -0.636 31.163 31.823 -0.040 0.000 0.662 459 V HN 0.853 nan 8.190 nan 0.000 0.455 460 M N -1.662 117.833 119.600 -0.175 0.000 2.534 460 M HA 0.580 5.062 4.480 0.003 0.000 0.280 460 M C -0.182 175.765 176.300 -0.589 0.000 1.217 460 M CA -0.322 54.778 55.300 -0.334 0.000 0.893 460 M CB 1.799 34.267 32.600 -0.220 0.000 1.730 460 M HN 0.136 nan 8.290 nan 0.000 0.483 461 G N 1.071 109.348 108.800 -0.872 0.000 2.544 461 G HA2 0.434 4.396 3.960 0.003 0.000 0.242 461 G HA3 0.434 4.396 3.960 0.003 0.000 0.242 461 G C 0.758 175.523 174.900 -0.224 0.000 1.247 461 G CA 0.112 44.802 45.100 -0.682 0.000 0.840 461 G HN 1.091 nan 8.290 nan 0.000 0.578 462 A N 1.178 123.978 122.820 -0.032 0.000 1.917 462 A HA -0.140 4.182 4.320 0.003 0.000 0.219 462 A C 2.715 180.240 177.584 -0.098 0.000 1.182 462 A CA 2.705 54.741 52.037 -0.003 0.000 0.633 462 A CB -0.806 18.330 19.000 0.226 0.000 0.819 462 A HN 1.090 nan 8.150 nan 0.000 0.448 463 S N -0.217 115.462 115.700 -0.035 0.000 2.353 463 S HA -0.080 4.392 4.470 0.003 0.000 0.222 463 S C 2.055 176.637 174.600 -0.030 0.000 1.035 463 S CA 1.311 59.497 58.200 -0.022 0.000 1.025 463 S CB -1.359 61.844 63.200 0.005 0.000 0.902 463 S HN 0.760 nan 8.310 nan 0.000 0.440 464 G N 1.135 109.918 108.800 -0.028 0.000 2.443 464 G HA2 0.181 4.143 3.960 0.003 0.000 0.219 464 G HA3 0.181 4.143 3.960 0.003 0.000 0.219 464 G C 1.523 176.488 174.900 0.108 0.000 1.131 464 G CA 0.685 45.813 45.100 0.046 0.000 0.775 464 G HN 0.713 nan 8.290 nan 0.000 0.547 465 A N 0.694 123.456 122.820 -0.097 0.000 1.898 465 A HA 0.129 4.451 4.320 0.003 0.000 0.214 465 A C 2.665 180.148 177.584 -0.167 0.000 1.183 465 A CA 1.947 53.851 52.037 -0.222 0.000 0.622 465 A CB -0.699 17.881 19.000 -0.700 0.000 0.824 465 A HN 0.780 nan 8.150 nan 0.000 0.444 466 V N -1.593 118.220 119.914 -0.168 0.000 2.407 466 V HA -0.061 4.061 4.120 0.003 0.000 0.248 466 V C 2.346 178.488 176.094 0.080 0.000 1.055 466 V CA 1.930 64.259 62.300 0.048 0.000 1.049 466 V CB -1.878 30.021 31.823 0.128 0.000 0.662 466 V HN 0.394 nan 8.190 nan 0.000 0.455 467 G N -0.584 108.213 108.800 -0.005 0.000 2.485 467 G HA2 -0.209 3.752 3.960 0.003 0.000 0.221 467 G HA3 -0.209 3.752 3.960 0.003 0.000 0.221 467 G C 1.291 176.062 174.900 -0.215 0.000 1.115 467 G CA 1.368 46.390 45.100 -0.131 0.000 0.751 467 G HN 0.578 nan 8.290 nan 0.000 0.567 468 F N -0.489 119.410 119.950 -0.085 0.000 2.243 468 F HA 0.158 4.686 4.527 0.003 0.000 0.287 468 F C 2.694 178.416 175.800 -0.129 0.000 1.067 468 F CA 0.277 58.220 58.000 -0.095 0.000 1.304 468 F CB -0.415 38.520 39.000 -0.109 0.000 1.087 468 F HN -0.064 nan 8.300 nan 0.000 0.513 469 V N -1.089 118.819 119.914 -0.010 0.000 2.343 469 V HA -0.275 3.847 4.120 0.003 0.000 0.247 469 V C 0.607 176.469 176.094 -0.387 0.000 1.051 469 V CA 1.710 63.835 62.300 -0.292 0.000 1.036 469 V CB -0.727 30.769 31.823 -0.546 0.000 0.654 469 V HN 0.383 nan 8.190 nan 0.000 0.451 470 Y N -0.632 119.674 120.300 0.010 0.000 2.774 470 Y HA 0.366 4.917 4.550 0.003 0.000 0.305 470 Y C 1.787 177.675 175.900 -0.020 0.000 1.067 470 Y CA -0.443 57.657 58.100 0.001 0.000 1.304 470 Y CB -0.407 38.053 38.460 -0.001 0.000 1.209 470 Y HN 0.022 nan 8.280 nan 0.000 0.543 471 R N 0.752 121.289 120.500 0.061 0.000 2.211 471 R HA -0.202 4.140 4.340 0.003 0.000 0.240 471 R C 1.371 177.678 176.300 0.011 0.000 1.144 471 R CA 1.511 57.611 56.100 0.001 0.000 0.992 471 R CB 0.179 30.455 30.300 -0.040 0.000 0.869 471 R HN 0.465 nan 8.270 nan 0.000 0.462 472 Q N 0.830 120.653 119.800 0.038 0.000 1.956 472 Q HA -0.184 4.158 4.340 0.003 0.000 0.208 472 Q C 0.755 176.769 176.000 0.025 0.000 0.998 472 Q CA 1.574 57.395 55.803 0.030 0.000 0.855 472 Q CB -0.460 28.305 28.738 0.045 0.000 0.928 472 Q HN 0.485 nan 8.270 nan 0.000 0.418 489 L N 0.908 122.112 121.223 -0.032 0.000 2.341 489 L HA 0.322 4.664 4.340 0.003 0.000 0.214 489 L C 2.616 179.473 176.870 -0.021 0.000 1.115 489 L CA 1.124 55.954 54.840 -0.017 0.000 0.820 489 L CB -0.224 41.830 42.059 -0.009 0.000 0.944 489 L HN 0.238 nan 8.230 nan 0.000 0.452 490 R N -0.167 120.309 120.500 -0.041 0.000 2.075 490 R HA -0.139 4.202 4.340 0.003 0.000 0.232 490 R C 2.138 178.395 176.300 -0.072 0.000 1.126 490 R CA 1.207 57.278 56.100 -0.049 0.000 0.963 490 R CB -0.034 30.230 30.300 -0.060 0.000 0.858 490 R HN 0.171 nan 8.270 nan 0.000 0.435 491 L N 1.406 122.551 121.223 -0.131 0.000 2.046 491 L HA -0.145 4.196 4.340 0.003 0.000 0.208 491 L C 2.406 179.253 176.870 -0.038 0.000 1.077 491 L CA 1.652 56.353 54.840 -0.230 0.000 0.747 491 L CB -1.092 40.727 42.059 -0.401 0.000 0.896 491 L HN 0.274 nan 8.230 nan 0.000 0.432 492 Q N -0.947 118.857 119.800 0.006 0.000 1.985 492 Q HA -0.281 4.061 4.340 0.003 0.000 0.207 492 Q C 2.163 178.232 176.000 0.115 0.000 0.996 492 Q CA 1.970 57.814 55.803 0.068 0.000 0.851 492 Q CB -0.325 28.435 28.738 0.037 0.000 0.921 492 Q HN 0.476 nan 8.270 nan 0.000 0.418 493 Q N 1.025 120.865 119.800 0.066 0.000 2.135 493 Q HA -0.235 4.107 4.340 0.003 0.000 0.204 493 Q C 1.428 177.476 176.000 0.079 0.000 0.981 493 Q CA 1.731 57.574 55.803 0.066 0.000 0.856 493 Q CB 0.001 28.760 28.738 0.035 0.000 0.902 493 Q HN 0.428 nan 8.270 nan 0.000 0.425 494 E N -0.760 119.482 120.200 0.071 0.000 2.028 494 E HA -0.189 4.163 4.350 0.003 0.000 0.191 494 E C 1.867 178.557 176.600 0.149 0.000 0.988 494 E CA 1.358 57.805 56.400 0.078 0.000 0.799 494 E CB -0.330 29.386 29.700 0.026 0.000 0.755 494 E HN 0.424 nan 8.360 nan 0.000 0.447 495 Y N 1.661 122.018 120.300 0.095 0.000 2.128 495 Y HA -0.295 4.257 4.550 0.003 0.000 0.284 495 Y C 2.297 178.241 175.900 0.075 0.000 1.154 495 Y CA 2.097 60.271 58.100 0.123 0.000 1.149 495 Y CB -0.052 38.516 38.460 0.180 0.000 0.976 495 Y HN -0.002 nan 8.280 nan 0.000 0.505 496 E N 0.234 120.585 120.200 0.251 0.000 2.070 496 E HA -0.235 4.117 4.350 0.003 0.000 0.197 496 E C 1.516 178.154 176.600 0.064 0.000 1.004 496 E CA 2.134 58.625 56.400 0.152 0.000 0.805 496 E CB -0.248 29.540 29.700 0.146 0.000 0.744 496 E HN 0.534 nan 8.360 nan 0.000 0.451 497 D N -1.428 119.006 120.400 0.057 0.000 2.333 497 D HA -0.002 4.640 4.640 0.003 0.000 0.208 497 D C 1.457 177.765 176.300 0.013 0.000 0.984 497 D CA 1.006 55.029 54.000 0.038 0.000 0.873 497 D CB 0.049 40.872 40.800 0.038 0.000 0.935 497 D HN 0.214 nan 8.370 nan 0.000 0.521 498 T N 0.000 114.546 114.554 -0.015 0.000 2.937 498 T HA 0.029 4.381 4.350 0.003 0.000 0.260 498 T C 1.546 176.194 174.700 -0.088 0.000 1.051 498 T CA 0.483 62.556 62.100 -0.046 0.000 1.141 498 T CB 0.560 69.393 68.868 -0.058 0.000 0.879 498 T HN 0.000 nan 8.240 nan 0.000 0.459 499 L N -0.376 120.748 121.223 -0.164 0.000 2.966 499 L HA 0.406 4.747 4.340 0.003 0.000 0.262 499 L C 0.153 176.917 176.870 -0.176 0.000 1.068 499 L CA 0.406 55.091 54.840 -0.257 0.000 1.004 499 L CB 0.596 42.281 42.059 -0.623 0.000 1.629 499 L HN -0.050 nan 8.230 nan 0.000 0.542 500 V N 3.849 123.695 119.914 -0.114 0.000 2.223 500 V HA 0.302 4.424 4.120 0.003 0.000 0.249 500 V C -0.076 176.042 176.094 0.041 0.000 1.233 500 V CA -0.037 62.272 62.300 0.015 0.000 1.131 500 V CB -1.394 30.495 31.823 0.111 0.000 1.298 500 V HN 0.587 nan 8.190 nan 0.000 0.498 501 N N 3.583 122.289 118.700 0.010 0.000 3.277 501 N HA 0.448 5.189 4.740 0.003 0.000 0.278 501 N C -2.798 172.649 175.510 -0.106 0.000 1.544 501 N CA -1.297 51.746 53.050 -0.012 0.000 0.869 501 N CB 2.037 40.567 38.487 0.072 0.000 1.584 501 N HN -0.006 nan 8.380 nan 0.000 0.564 502 P HA 0.135 nan 4.420 nan 0.000 0.245 502 P C 0.578 177.667 177.300 -0.350 0.000 1.203 502 P CA 0.636 63.526 63.100 -0.350 0.000 0.792 502 P CB -0.107 31.326 31.700 -0.446 0.000 0.997 503 Y N -0.189 120.098 120.300 -0.021 0.000 2.263 503 Y HA -0.100 4.451 4.550 0.003 0.000 0.292 503 Y C 2.510 178.377 175.900 -0.054 0.000 1.130 503 Y CA 0.709 58.790 58.100 -0.032 0.000 1.179 503 Y CB -1.582 36.859 38.460 -0.031 0.000 0.998 503 Y HN -0.261 nan 8.280 nan 0.000 0.532 504 V N -0.084 119.860 119.914 0.049 0.000 2.343 504 V HA -0.315 3.807 4.120 0.003 0.000 0.247 504 V C 2.524 178.564 176.094 -0.090 0.000 1.051 504 V CA 1.769 64.053 62.300 -0.027 0.000 1.036 504 V CB -1.365 30.426 31.823 -0.054 0.000 0.654 504 V HN 0.447 nan 8.190 nan 0.000 0.451 505 A N 0.058 122.830 122.820 -0.079 0.000 1.898 505 A HA -0.065 4.257 4.320 0.003 0.000 0.216 505 A C 2.430 179.971 177.584 -0.071 0.000 1.181 505 A CA 1.945 53.939 52.037 -0.070 0.000 0.620 505 A CB -0.784 18.230 19.000 0.024 0.000 0.819 505 A HN 0.564 nan 8.150 nan 0.000 0.442 506 A N -0.147 122.654 122.820 -0.033 0.000 1.933 506 A HA -0.185 4.137 4.320 0.003 0.000 0.218 506 A C 1.897 179.472 177.584 -0.015 0.000 1.175 506 A CA 1.729 53.766 52.037 0.000 0.000 0.628 506 A CB -0.493 18.525 19.000 0.030 0.000 0.814 506 A HN 0.646 nan 8.150 nan 0.000 0.444 507 E N -0.656 119.524 120.200 -0.034 0.000 2.152 507 E HA -0.104 4.248 4.350 0.003 0.000 0.192 507 E C 1.944 178.469 176.600 -0.124 0.000 0.983 507 E CA 0.529 56.899 56.400 -0.051 0.000 0.818 507 E CB -0.053 29.627 29.700 -0.033 0.000 0.758 507 E HN 0.380 nan 8.360 nan 0.000 0.467 508 R N -0.296 120.047 120.500 -0.260 0.000 2.280 508 R HA 0.006 4.348 4.340 0.003 0.000 0.207 508 R C 1.421 177.536 176.300 -0.309 0.000 1.043 508 R CA 0.885 56.715 56.100 -0.450 0.000 1.006 508 R CB -0.186 29.440 30.300 -1.124 0.000 0.885 508 R HN 0.330 nan 8.270 nan 0.000 0.467 509 G N 0.491 109.213 108.800 -0.131 0.000 2.162 509 G HA2 -0.333 3.629 3.960 0.003 0.000 0.260 509 G HA3 -0.333 3.629 3.960 0.003 0.000 0.260 509 G C 0.746 175.750 174.900 0.174 0.000 0.976 509 G CA 0.445 45.560 45.100 0.026 0.000 0.655 509 G HN 0.505 nan 8.290 nan 0.000 0.533 510 Y N -0.560 119.775 120.300 0.058 0.000 2.352 510 Y HA 0.150 4.702 4.550 0.003 0.000 0.292 510 Y C 1.884 177.836 175.900 0.087 0.000 1.136 510 Y CA 0.901 59.056 58.100 0.092 0.000 1.227 510 Y CB 0.328 38.863 38.460 0.126 0.000 0.991 510 Y HN 0.504 nan 8.280 nan 0.000 0.545 511 V N -0.978 119.060 119.914 0.207 0.000 2.448 511 V HA 0.626 4.748 4.120 0.003 0.000 0.295 511 V C 0.628 176.772 176.094 0.083 0.000 1.025 511 V CA -0.260 62.111 62.300 0.118 0.000 0.859 511 V CB 1.443 33.306 31.823 0.066 0.000 0.988 511 V HN 0.177 nan 8.190 nan 0.000 0.431 512 G N 3.993 112.841 108.800 0.080 0.000 2.551 512 G HA2 0.520 4.481 3.960 0.003 0.000 0.216 512 G HA3 0.520 4.481 3.960 0.003 0.000 0.216 512 G C 0.518 175.459 174.900 0.068 0.000 1.137 512 G CA 0.531 45.679 45.100 0.079 0.000 0.798 512 G HN 1.675 nan 8.290 nan 0.000 0.536 513 A N -0.376 122.461 122.820 0.028 0.000 2.465 513 A HA 0.587 4.909 4.320 0.003 0.000 0.292 513 A C -1.291 176.250 177.584 -0.072 0.000 1.041 513 A CA -0.398 51.631 52.037 -0.013 0.000 0.718 513 A CB 1.719 20.699 19.000 -0.033 0.000 1.266 513 A HN 0.248 nan 8.150 nan 0.000 0.403 514 V N 4.023 123.909 119.914 -0.047 0.000 2.383 514 V HA 0.553 4.674 4.120 0.003 0.000 0.275 514 V C 0.137 176.183 176.094 -0.080 0.000 1.036 514 V CA -0.043 62.215 62.300 -0.071 0.000 0.889 514 V CB 0.544 32.304 31.823 -0.105 0.000 0.985 514 V HN 0.796 nan 8.190 nan 0.000 0.459 515 I N 2.955 123.458 120.570 -0.112 0.000 2.828 515 I HA 0.721 4.893 4.170 0.003 0.000 0.302 515 I C -2.889 173.072 176.117 -0.259 0.000 1.101 515 I CA -3.045 58.138 61.300 -0.196 0.000 1.031 515 I CB 2.439 40.227 38.000 -0.354 0.000 1.231 515 I HN 0.311 nan 8.210 nan 0.000 0.427 516 P HA 0.190 nan 4.420 nan 0.000 0.264 516 P C -2.194 174.765 177.300 -0.568 0.000 1.193 516 P CA -0.852 61.943 63.100 -0.509 0.000 0.763 516 P CB 0.145 31.414 31.700 -0.718 0.000 0.810 517 P HA -0.270 nan 4.420 nan 0.000 0.218 517 P C 1.436 178.396 177.300 -0.567 0.000 1.154 517 P CA 2.027 64.251 63.100 -1.459 0.000 0.872 517 P CB -0.317 30.310 31.700 -1.788 0.000 0.790 518 S N -2.444 113.069 115.700 -0.312 0.000 2.442 518 S HA -0.190 4.282 4.470 0.003 0.000 0.236 518 S C 1.543 176.244 174.600 0.170 0.000 1.007 518 S CA 1.134 59.308 58.200 -0.043 0.000 0.965 518 S CB -1.417 61.791 63.200 0.013 0.000 0.773 518 S HN 0.248 nan 8.310 nan 0.000 0.504 519 H N 1.511 120.574 119.070 -0.012 0.000 2.551 519 H HA 0.244 4.801 4.556 0.003 0.000 0.266 519 H C 1.985 177.473 175.328 0.268 0.000 0.977 519 H CA 0.729 56.870 56.048 0.154 0.000 1.163 519 H CB -0.806 29.110 29.762 0.257 0.000 1.381 519 H HN 0.423 nan 8.280 nan 0.000 0.581 520 T N -0.030 114.707 114.554 0.305 0.000 2.674 520 T HA -0.185 4.167 4.350 0.003 0.000 0.265 520 T C 2.122 176.989 174.700 0.279 0.000 1.039 520 T CA 1.398 63.693 62.100 0.325 0.000 1.150 520 T CB 0.068 69.189 68.868 0.422 0.000 0.864 520 T HN 0.354 nan 8.240 nan 0.000 0.427 521 R N 0.631 121.257 120.500 0.210 0.000 2.094 521 R HA -0.137 4.204 4.340 0.003 0.000 0.239 521 R C 2.705 179.088 176.300 0.138 0.000 1.137 521 R CA 1.931 58.123 56.100 0.154 0.000 0.943 521 R CB -0.877 29.491 30.300 0.115 0.000 0.850 521 R HN 0.464 nan 8.270 nan 0.000 0.433 522 G N -0.583 108.291 108.800 0.123 0.000 2.446 522 G HA2 -0.291 3.671 3.960 0.003 0.000 0.217 522 G HA3 -0.291 3.671 3.960 0.003 0.000 0.217 522 G C 1.146 176.072 174.900 0.045 0.000 1.168 522 G CA 0.925 46.052 45.100 0.045 0.000 0.771 522 G HN 0.378 nan 8.290 nan 0.000 0.551 523 Y N 0.700 121.040 120.300 0.067 0.000 2.128 523 Y HA -0.086 4.466 4.550 0.003 0.000 0.284 523 Y C 2.834 178.778 175.900 0.074 0.000 1.154 523 Y CA 1.333 59.480 58.100 0.079 0.000 1.149 523 Y CB -0.197 38.331 38.460 0.113 0.000 0.976 523 Y HN 0.121 nan 8.280 nan 0.000 0.505 524 I N -0.859 119.864 120.570 0.255 0.000 2.208 524 I HA -0.304 3.868 4.170 0.003 0.000 0.245 524 I C 2.660 178.846 176.117 0.116 0.000 1.097 524 I CA 1.460 62.861 61.300 0.168 0.000 1.363 524 I CB -1.012 37.075 38.000 0.145 0.000 1.051 524 I HN 0.304 nan 8.210 nan 0.000 0.413 525 G N 0.796 109.653 108.800 0.095 0.000 2.446 525 G HA2 -0.326 3.635 3.960 0.003 0.000 0.217 525 G HA3 -0.326 3.635 3.960 0.003 0.000 0.217 525 G C 1.767 176.692 174.900 0.042 0.000 1.168 525 G CA 1.697 46.834 45.100 0.061 0.000 0.771 525 G HN 0.469 nan 8.290 nan 0.000 0.551 526 T N -0.339 114.228 114.554 0.021 0.000 2.746 526 T HA 0.079 4.430 4.350 0.003 0.000 0.267 526 T C 2.567 177.288 174.700 0.034 0.000 1.039 526 T CA 2.056 64.157 62.100 0.002 0.000 1.142 526 T CB -0.516 68.317 68.868 -0.057 0.000 0.866 526 T HN 0.400 nan 8.240 nan 0.000 0.444 527 A N 1.657 124.518 122.820 0.069 0.000 1.902 527 A HA 0.177 4.499 4.320 0.003 0.000 0.217 527 A C 2.515 180.136 177.584 0.063 0.000 1.181 527 A CA 1.386 53.470 52.037 0.079 0.000 0.623 527 A CB -0.949 18.120 19.000 0.114 0.000 0.818 527 A HN 0.551 nan 8.150 nan 0.000 0.443 528 L N -0.997 120.264 121.223 0.065 0.000 2.042 528 L HA -0.216 4.125 4.340 0.003 0.000 0.210 528 L C 2.821 179.716 176.870 0.043 0.000 1.076 528 L CA 1.885 56.758 54.840 0.056 0.000 0.749 528 L CB -0.475 41.621 42.059 0.063 0.000 0.893 528 L HN 0.490 nan 8.230 nan 0.000 0.432 529 R N 0.376 120.899 120.500 0.037 0.000 2.073 529 R HA -0.187 4.154 4.340 0.003 0.000 0.234 529 R C 2.411 178.726 176.300 0.025 0.000 1.134 529 R CA 1.421 57.537 56.100 0.028 0.000 0.952 529 R CB -0.301 30.011 30.300 0.020 0.000 0.850 529 R HN 0.312 nan 8.270 nan 0.000 0.433 530 L N 1.008 122.247 121.223 0.027 0.000 2.012 530 L HA -0.169 4.173 4.340 0.003 0.000 0.210 530 L C 1.837 178.723 176.870 0.026 0.000 1.073 530 L CA 1.608 56.464 54.840 0.026 0.000 0.748 530 L CB -0.176 41.902 42.059 0.032 0.000 0.891 530 L HN 0.365 nan 8.230 nan 0.000 0.431 531 L N -0.083 121.158 121.223 0.030 0.000 2.612 531 L HA -0.059 4.283 4.340 0.003 0.000 0.230 531 L C 2.218 179.102 176.870 0.022 0.000 1.140 531 L CA -0.006 54.849 54.840 0.026 0.000 0.896 531 L CB -0.256 41.821 42.059 0.031 0.000 1.065 531 L HN 0.368 nan 8.230 nan 0.000 0.447 532 E N 0.083 120.297 120.200 0.023 0.000 2.338 532 E HA -0.150 4.202 4.350 0.003 0.000 0.197 532 E C 0.905 177.515 176.600 0.016 0.000 1.007 532 E CA 0.610 57.023 56.400 0.022 0.000 0.849 532 E CB 0.127 29.841 29.700 0.022 0.000 0.774 532 E HN 0.263 nan 8.360 nan 0.000 0.506 533 R N 1.401 121.909 120.500 0.014 0.000 2.776 533 R HA 0.238 4.579 4.340 0.003 0.000 0.391 533 R C -0.204 176.100 176.300 0.007 0.000 1.116 533 R CA -0.197 55.909 56.100 0.010 0.000 1.056 533 R CB 0.488 30.794 30.300 0.010 0.000 1.369 533 R HN 0.138 nan 8.270 nan 0.000 0.590 542 K N 0.237 120.563 120.400 -0.123 0.000 2.103 542 K HA -0.166 4.156 4.320 0.003 0.000 0.207 542 K C -0.082 176.524 176.600 0.010 0.000 1.048 542 K CA 2.343 58.577 56.287 -0.090 0.000 0.930 542 K CB -0.449 31.944 32.500 -0.179 0.000 0.716 542 K HN 0.842 nan 8.250 nan 0.000 0.444 543 H N -5.398 113.683 119.070 0.018 0.000 2.905 543 H HA 0.321 4.879 4.556 0.003 0.000 0.260 543 H C -0.346 175.011 175.328 0.048 0.000 1.403 543 H CA -0.682 55.383 56.048 0.029 0.000 1.290 543 H CB 0.061 29.832 29.762 0.014 0.000 1.840 543 H HN 0.024 nan 8.280 nan 0.000 0.466 544 G N -0.821 108.123 108.800 0.241 0.000 2.531 544 G HA2 0.295 4.257 3.960 0.003 0.000 0.281 544 G HA3 0.295 4.257 3.960 0.003 0.000 0.281 544 G C -0.578 174.457 174.900 0.224 0.000 1.382 544 G CA -0.579 44.663 45.100 0.238 0.000 1.045 544 G HN 0.907 nan 8.290 nan 0.000 0.533 545 N N -0.694 118.081 118.700 0.125 0.000 2.642 545 N HA 0.177 4.919 4.740 0.003 0.000 0.308 545 N C -0.134 175.266 175.510 -0.183 0.000 1.914 545 N CA -0.462 52.597 53.050 0.016 0.000 0.893 545 N CB 1.030 39.549 38.487 0.053 0.000 1.322 545 N HN 0.290 nan 8.380 nan 0.000 0.490 546 V N 2.189 121.749 119.914 -0.590 0.000 2.872 546 V HA -0.017 4.104 4.120 0.003 0.000 0.302 546 V C -1.929 173.967 176.094 -0.331 0.000 1.166 546 V CA -0.402 61.370 62.300 -0.880 0.000 1.298 546 V CB 0.445 31.648 31.823 -1.034 0.000 0.894 546 V HN 0.386 nan 8.190 nan 0.000 0.509 547 P HA 0.198 nan 4.420 nan 0.000 0.266 547 P C -0.495 176.744 177.300 -0.101 0.000 1.195 547 P CA 0.369 63.408 63.100 -0.101 0.000 0.768 547 P CB 0.375 32.046 31.700 -0.048 0.000 0.838 548 L N 0.000 121.181 121.223 -0.070 0.000 2.949 548 L HA 0.000 4.342 4.340 0.003 0.000 0.249 548 L CA 0.000 54.805 54.840 -0.058 0.000 0.813 548 L CB 0.000 42.020 42.059 -0.064 0.000 0.961 548 L HN 0.000 nan 8.230 nan 0.000 0.502