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 3npe_1_A DATA FIRST_RESID 83 DATA SEQUENCE QLNLFQRAAA AALDAFEEGF VANVLERPHG LPSTADPAVQ IAGNFAPVGE DATA SEQUENCE RPPVHELPVS GRIPPFIDGV YARNGANPCF DPVAGHHLFD GDGMVHALRI DATA SEQUENCE RNGAAESYAC RFTETARLRQ ERAIGRPVFP KAIGELHGHS GIARLALFYA DATA SEQUENCE RAACGLVDPS AGTGVANAGL VYFNGRLLAM SEDDLPYHVR VADDGDLETV DATA SEQUENCE GRYDFDGQLG CAMIAHPKLD PATGELHALS YDVIKRPYLK YFYFRPDGTK DATA SEQUENCE SDDVEIPLEQ PTMIHDFAIT ENLVVVPDHQ VVFKLQEMLR GGSPVVLDAA DATA SEQUENCE KTSRFGVLPK HAADASEMAW VDVPDCFcFH LWNAWEDEAT GEVVVIGScM DATA SEQUENCE TPADSIFNES DERLESVLTE IRLDARTGRS TRRAVLPPSQ QVNLEVGMVN DATA SEQUENCE RNLLGRETRY AYLAVAEPWP KVSGFAKVDL STGELTKFEY GEGRFGGEPC DATA SEQUENCE FVPMDPAAAH PRGEDDGYVL TFVHDERAGT SELLVVNAAD MRLEATVQLP DATA SEQUENCE SRVPFGFHGT FITGQELEAQ AA 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 83 Q HA 0.000 nan 4.340 nan 0.000 0.214 83 Q C 0.000 176.006 176.000 0.010 0.000 1.003 83 Q CA 0.000 55.807 55.803 0.007 0.000 1.022 83 Q CB 0.000 28.742 28.738 0.007 0.000 1.108 84 L N 0.937 122.165 121.223 0.008 0.000 2.195 84 L HA 0.410 4.750 4.340 -0.000 0.000 0.210 84 L C 1.021 177.906 176.870 0.024 0.000 1.167 84 L CA 0.188 55.036 54.840 0.013 0.000 2.087 84 L CB -0.102 41.959 42.059 0.004 0.000 1.781 84 L HN 0.834 nan 8.230 nan 0.000 0.963 85 N N -2.011 116.708 118.700 0.031 0.000 3.566 85 N HA 0.366 5.106 4.740 -0.000 0.000 0.354 85 N C 0.166 175.702 175.510 0.044 0.000 1.632 85 N CA -0.400 52.681 53.050 0.052 0.000 0.690 85 N CB 1.192 39.741 38.487 0.103 0.000 2.273 85 N HN 0.136 nan 8.380 nan 0.000 0.643 86 L N -0.447 120.820 121.223 0.072 0.000 2.663 86 L HA 0.246 4.586 4.340 -0.000 0.000 0.218 86 L C 2.104 179.017 176.870 0.072 0.000 1.043 86 L CA -0.057 54.816 54.840 0.055 0.000 0.876 86 L CB -0.322 41.769 42.059 0.053 0.000 1.263 86 L HN 0.411 nan 8.230 nan 0.000 0.486 87 F N 2.132 122.072 119.950 -0.017 0.000 2.075 87 F HA -0.272 4.254 4.527 -0.000 0.000 0.297 87 F C 2.681 178.466 175.800 -0.024 0.000 1.113 87 F CA 2.297 60.284 58.000 -0.020 0.000 1.218 87 F CB -0.150 38.837 39.000 -0.021 0.000 0.984 87 F HN 0.141 nan 8.300 nan 0.000 0.472 88 Q N 0.344 120.165 119.800 0.035 0.000 2.311 88 Q HA -0.152 4.188 4.340 -0.000 0.000 0.203 88 Q C 2.347 178.259 176.000 -0.146 0.000 0.954 88 Q CA 0.940 56.676 55.803 -0.113 0.000 0.885 88 Q CB -0.613 28.199 28.738 0.122 0.000 0.963 88 Q HN 0.523 nan 8.270 nan 0.000 0.471 89 R N 0.267 120.717 120.500 -0.084 0.000 2.120 89 R HA -0.055 4.285 4.340 -0.000 0.000 0.234 89 R C 1.879 178.111 176.300 -0.115 0.000 1.123 89 R CA 1.318 57.372 56.100 -0.076 0.000 0.975 89 R CB -0.183 30.094 30.300 -0.037 0.000 0.866 89 R HN 0.396 nan 8.270 nan 0.000 0.446 90 A N -0.237 122.484 122.820 -0.165 0.000 2.132 90 A HA 0.200 4.519 4.320 -0.000 0.000 0.213 90 A C 2.012 179.446 177.584 -0.250 0.000 1.154 90 A CA 0.803 52.734 52.037 -0.175 0.000 0.753 90 A CB -0.084 18.825 19.000 -0.152 0.000 0.826 90 A HN 0.453 nan 8.150 nan 0.000 0.469 91 A N 0.369 122.961 122.820 -0.379 0.000 1.840 91 A HA 0.232 4.551 4.320 -0.000 0.000 0.214 91 A C 2.489 179.950 177.584 -0.205 0.000 1.198 91 A CA 1.757 53.570 52.037 -0.374 0.000 0.608 91 A CB -1.175 17.516 19.000 -0.515 0.000 0.839 91 A HN 1.021 nan 8.150 nan 0.000 0.443 92 A N -0.022 122.699 122.820 -0.166 0.000 1.948 92 A HA 0.040 4.360 4.320 -0.000 0.000 0.220 92 A C 2.484 180.023 177.584 -0.075 0.000 1.177 92 A CA 2.466 54.440 52.037 -0.105 0.000 0.636 92 A CB -1.080 17.866 19.000 -0.089 0.000 0.815 92 A HN 1.115 nan 8.150 nan 0.000 0.449 93 A N -0.220 122.552 122.820 -0.081 0.000 1.865 93 A HA 0.115 4.434 4.320 -0.000 0.000 0.217 93 A C 2.555 180.118 177.584 -0.036 0.000 1.191 93 A CA 2.414 54.419 52.037 -0.054 0.000 0.623 93 A CB -1.151 17.814 19.000 -0.058 0.000 0.826 93 A HN 1.152 nan 8.150 nan 0.000 0.444 94 A N -0.543 122.242 122.820 -0.058 0.000 1.898 94 A HA 0.017 4.336 4.320 -0.000 0.000 0.216 94 A C 2.194 179.786 177.584 0.013 0.000 1.181 94 A CA 1.403 53.421 52.037 -0.032 0.000 0.620 94 A CB -0.610 18.342 19.000 -0.079 0.000 0.819 94 A HN 0.468 nan 8.150 nan 0.000 0.442 95 L N -0.332 120.881 121.223 -0.018 0.000 2.012 95 L HA -0.243 4.097 4.340 -0.000 0.000 0.210 95 L C 2.220 179.148 176.870 0.097 0.000 1.073 95 L CA 1.649 56.511 54.840 0.037 0.000 0.748 95 L CB -0.777 41.270 42.059 -0.019 0.000 0.891 95 L HN 0.322 nan 8.230 nan 0.000 0.431 96 D N 0.276 120.701 120.400 0.042 0.000 2.106 96 D HA -0.216 4.424 4.640 -0.000 0.000 0.191 96 D C 2.215 178.556 176.300 0.068 0.000 0.997 96 D CA 1.658 55.683 54.000 0.041 0.000 0.834 96 D CB -0.254 40.550 40.800 0.007 0.000 0.956 96 D HN 0.343 nan 8.370 nan 0.000 0.448 97 A N 0.013 122.876 122.820 0.073 0.000 1.940 97 A HA -0.190 4.130 4.320 -0.000 0.000 0.219 97 A C 2.115 179.787 177.584 0.145 0.000 1.176 97 A CA 1.126 53.215 52.037 0.087 0.000 0.631 97 A CB -0.916 18.129 19.000 0.075 0.000 0.814 97 A HN 0.237 nan 8.150 nan 0.000 0.446 98 F N 0.430 120.397 119.950 0.029 0.000 2.128 98 F HA -0.074 4.453 4.527 -0.000 0.000 0.295 98 F C 2.235 178.107 175.800 0.120 0.000 1.100 98 F CA 1.833 59.872 58.000 0.065 0.000 1.260 98 F CB -0.335 38.678 39.000 0.021 0.000 1.009 98 F HN 0.409 nan 8.300 nan 0.000 0.476 99 E N -0.216 120.080 120.200 0.160 0.000 2.147 99 E HA -0.280 4.070 4.350 -0.000 0.000 0.199 99 E C 2.051 178.648 176.600 -0.005 0.000 1.005 99 E CA 1.604 58.047 56.400 0.072 0.000 0.810 99 E CB -0.109 29.643 29.700 0.088 0.000 0.736 99 E HN 0.368 nan 8.360 nan 0.000 0.460 100 E N -1.006 119.194 120.200 0.002 0.000 2.102 100 E HA -0.009 4.340 4.350 -0.000 0.000 0.190 100 E C 1.875 178.454 176.600 -0.036 0.000 0.971 100 E CA 0.915 57.308 56.400 -0.012 0.000 0.821 100 E CB 0.018 29.721 29.700 0.006 0.000 0.777 100 E HN 0.339 nan 8.360 nan 0.000 0.460 101 G N -0.701 108.080 108.800 -0.030 0.000 2.551 101 G HA2 -0.119 3.841 3.960 -0.000 0.000 0.216 101 G HA3 -0.119 3.841 3.960 -0.000 0.000 0.216 101 G C 1.189 176.064 174.900 -0.042 0.000 1.137 101 G CA 0.196 45.284 45.100 -0.020 0.000 0.798 101 G HN 0.224 nan 8.290 nan 0.000 0.536 102 F N -0.186 119.552 119.950 -0.355 0.000 2.444 102 F HA 0.288 4.815 4.527 -0.000 0.000 0.263 102 F C 2.392 178.001 175.800 -0.319 0.000 0.912 102 F CA 0.353 58.083 58.000 -0.449 0.000 1.122 102 F CB -0.221 38.168 39.000 -1.018 0.000 1.246 102 F HN -0.108 nan 8.300 nan 0.000 0.752 103 V N 1.423 121.168 119.914 -0.281 0.000 2.252 103 V HA -0.355 3.765 4.120 -0.000 0.000 0.249 103 V C 2.597 178.577 176.094 -0.190 0.000 1.056 103 V CA 2.371 64.551 62.300 -0.200 0.000 1.022 103 V CB -1.570 30.255 31.823 0.002 0.000 0.641 103 V HN 0.556 nan 8.190 nan 0.000 0.445 104 A N -0.177 122.568 122.820 -0.125 0.000 1.840 104 A HA -0.175 4.145 4.320 -0.000 0.000 0.214 104 A C 2.047 179.568 177.584 -0.104 0.000 1.198 104 A CA 1.939 53.927 52.037 -0.082 0.000 0.608 104 A CB -0.692 18.283 19.000 -0.041 0.000 0.839 104 A HN 0.552 nan 8.150 nan 0.000 0.443 105 N N -0.500 118.127 118.700 -0.121 0.000 2.270 105 N HA -0.042 4.698 4.740 -0.000 0.000 0.181 105 N C 1.546 176.967 175.510 -0.148 0.000 1.016 105 N CA 1.351 54.337 53.050 -0.106 0.000 0.870 105 N CB -0.061 38.384 38.487 -0.071 0.000 0.979 105 N HN 0.257 nan 8.380 nan 0.000 0.431 106 V N 0.414 120.168 119.914 -0.267 0.000 2.391 106 V HA 0.073 4.193 4.120 -0.000 0.000 0.237 106 V C 2.149 178.084 176.094 -0.265 0.000 1.046 106 V CA 0.626 62.735 62.300 -0.318 0.000 1.053 106 V CB -0.258 31.245 31.823 -0.534 0.000 0.704 106 V HN 0.151 nan 8.190 nan 0.000 0.475 107 L N -0.379 120.616 121.223 -0.379 0.000 2.217 107 L HA -0.081 4.258 4.340 -0.000 0.000 0.211 107 L C 2.215 179.167 176.870 0.137 0.000 1.107 107 L CA 1.582 56.338 54.840 -0.140 0.000 0.783 107 L CB -0.238 41.685 42.059 -0.226 0.000 0.919 107 L HN 0.475 nan 8.230 nan 0.000 0.442 108 E N -1.359 118.874 120.200 0.055 0.000 2.378 108 E HA 0.026 4.376 4.350 -0.000 0.000 0.200 108 E C 2.057 178.729 176.600 0.120 0.000 0.882 108 E CA -0.320 56.169 56.400 0.148 0.000 1.061 108 E CB 0.219 29.937 29.700 0.029 0.000 1.049 108 E HN 0.138 nan 8.360 nan 0.000 0.494 109 R N 1.266 121.775 120.500 0.014 0.000 2.105 109 R HA -0.073 4.267 4.340 -0.000 0.000 0.239 109 R C -0.661 175.605 176.300 -0.058 0.000 1.135 109 R CA 1.365 57.458 56.100 -0.012 0.000 0.967 109 R CB -0.790 29.489 30.300 -0.034 0.000 0.861 109 R HN 0.164 nan 8.270 nan 0.000 0.442 110 P HA -0.044 nan 4.420 nan 0.000 0.230 110 P C -0.709 176.316 177.300 -0.458 0.000 1.158 110 P CA 1.109 64.018 63.100 -0.319 0.000 0.769 110 P CB 0.026 31.468 31.700 -0.431 0.000 0.807 111 H N -0.706 118.364 119.070 0.000 0.000 2.466 111 H HA 0.523 5.079 4.556 -0.000 0.000 0.338 111 H C 1.401 176.741 175.328 0.021 0.000 1.091 111 H CA -0.472 55.571 56.048 -0.010 0.000 1.207 111 H CB 0.905 30.631 29.762 -0.059 0.000 1.466 111 H HN -0.056 nan 8.280 nan 0.000 0.493 112 G N 1.745 110.610 108.800 0.108 0.000 2.492 112 G HA2 0.043 4.003 3.960 -0.000 0.000 0.353 112 G HA3 0.043 4.003 3.960 -0.000 0.000 0.353 112 G C -0.522 174.439 174.900 0.102 0.000 1.297 112 G CA -0.288 44.858 45.100 0.077 0.000 1.192 112 G HN 0.546 nan 8.290 nan 0.000 0.677 113 L N 1.082 122.353 121.223 0.079 0.000 2.555 113 L HA 0.274 4.614 4.340 -0.000 0.000 0.264 113 L C -2.083 174.830 176.870 0.071 0.000 0.972 113 L CA -1.508 53.386 54.840 0.089 0.000 0.876 113 L CB 2.427 44.537 42.059 0.085 0.000 1.216 113 L HN 0.401 nan 8.230 nan 0.000 0.415 114 P HA -0.016 nan 4.420 nan 0.000 0.266 114 P C 0.745 178.077 177.300 0.052 0.000 1.193 114 P CA 0.024 63.154 63.100 0.051 0.000 0.770 114 P CB 0.747 32.480 31.700 0.056 0.000 0.836 115 S N 0.458 116.183 115.700 0.042 0.000 2.537 115 S HA -0.125 4.345 4.470 -0.000 0.000 0.240 115 S C 1.273 175.910 174.600 0.063 0.000 0.981 115 S CA 1.373 59.604 58.200 0.052 0.000 0.948 115 S CB -1.316 61.912 63.200 0.045 0.000 0.759 115 S HN 0.655 nan 8.310 nan 0.000 0.531 116 T N -3.113 111.469 114.554 0.047 0.000 3.060 116 T HA 0.607 4.957 4.350 -0.000 0.000 0.249 116 T C 1.277 176.022 174.700 0.074 0.000 1.079 116 T CA 0.230 62.355 62.100 0.042 0.000 1.013 116 T CB 0.258 69.084 68.868 -0.071 0.000 0.975 116 T HN 0.495 nan 8.240 nan 0.000 0.518 117 A N 0.721 123.588 122.820 0.078 0.000 2.508 117 A HA 0.340 4.659 4.320 -0.000 0.000 0.250 117 A C 0.514 178.175 177.584 0.129 0.000 1.208 117 A CA -0.266 51.832 52.037 0.102 0.000 0.960 117 A CB 0.160 19.206 19.000 0.078 0.000 1.099 117 A HN 0.378 nan 8.150 nan 0.000 0.542 118 D N 0.791 121.259 120.400 0.113 0.000 2.325 118 D HA 0.281 4.920 4.640 -0.000 0.000 0.251 118 D C -1.863 174.513 176.300 0.127 0.000 1.196 118 D CA -1.918 52.147 54.000 0.108 0.000 0.866 118 D CB 1.569 42.418 40.800 0.082 0.000 1.101 118 D HN 0.011 nan 8.370 nan 0.000 0.476 119 P HA -0.022 nan 4.420 nan 0.000 0.219 119 P C 0.997 178.358 177.300 0.103 0.000 1.150 119 P CA 0.967 64.157 63.100 0.150 0.000 0.814 119 P CB 0.124 31.888 31.700 0.107 0.000 0.787 120 A N -0.740 122.129 122.820 0.082 0.000 2.076 120 A HA -0.134 4.185 4.320 -0.000 0.000 0.220 120 A C 2.126 179.757 177.584 0.077 0.000 1.160 120 A CA 1.752 53.830 52.037 0.070 0.000 0.653 120 A CB -1.463 17.572 19.000 0.058 0.000 0.801 120 A HN 0.093 nan 8.150 nan 0.000 0.455 121 V N -1.287 118.676 119.914 0.081 0.000 2.490 121 V HA -0.087 4.033 4.120 -0.000 0.000 0.238 121 V C 2.440 178.572 176.094 0.063 0.000 1.056 121 V CA 1.111 63.456 62.300 0.076 0.000 1.075 121 V CB -0.679 31.186 31.823 0.069 0.000 0.746 121 V HN 0.418 nan 8.190 nan 0.000 0.479 122 Q N -0.211 119.630 119.800 0.067 0.000 2.181 122 Q HA -0.092 4.248 4.340 -0.000 0.000 0.205 122 Q C 2.020 178.036 176.000 0.026 0.000 0.980 122 Q CA 1.847 57.662 55.803 0.019 0.000 0.862 122 Q CB -0.123 28.677 28.738 0.103 0.000 0.905 122 Q HN 0.589 nan 8.270 nan 0.000 0.429 123 I N -0.393 120.247 120.570 0.116 0.000 3.526 123 I HA 0.081 4.251 4.170 -0.000 0.000 0.294 123 I C 0.740 176.956 176.117 0.166 0.000 1.229 123 I CA -0.148 61.241 61.300 0.147 0.000 1.408 123 I CB 0.145 38.206 38.000 0.102 0.000 1.127 123 I HN -0.090 nan 8.210 nan 0.000 0.439 124 A N 1.221 124.127 122.820 0.144 0.000 2.583 124 A HA 0.374 4.694 4.320 -0.000 0.000 0.231 124 A C 1.149 178.833 177.584 0.168 0.000 1.065 124 A CA 0.896 53.010 52.037 0.129 0.000 0.760 124 A CB -0.744 18.324 19.000 0.114 0.000 1.001 124 A HN 0.593 nan 8.150 nan 0.000 0.509 125 G N 0.640 109.488 108.800 0.079 0.000 2.601 125 G HA2 -0.347 3.613 3.960 -0.000 0.000 0.252 125 G HA3 -0.347 3.613 3.960 -0.000 0.000 0.252 125 G C 0.778 175.586 174.900 -0.152 0.000 1.294 125 G CA 0.545 45.650 45.100 0.007 0.000 0.912 125 G HN 1.287 nan 8.290 nan 0.000 0.574 126 N N -0.431 118.002 118.700 -0.445 0.000 2.609 126 N HA 0.034 4.774 4.740 -0.000 0.000 0.190 126 N C 1.720 176.687 175.510 -0.905 0.000 1.157 126 N CA 0.596 53.080 53.050 -0.943 0.000 0.918 126 N CB -0.191 37.256 38.487 -1.734 0.000 0.978 126 N HN 0.418 nan 8.380 nan 0.000 0.448 127 F N 1.194 120.970 119.950 -0.291 0.000 2.604 127 F HA 0.143 4.670 4.527 -0.000 0.000 0.298 127 F C 1.448 177.178 175.800 -0.117 0.000 1.131 127 F CA -0.031 57.923 58.000 -0.076 0.000 1.457 127 F CB -0.376 38.680 39.000 0.093 0.000 1.095 127 F HN -0.026 nan 8.300 nan 0.000 0.574 128 A N 1.733 124.544 122.820 -0.014 0.000 2.425 128 A HA 0.328 4.648 4.320 -0.000 0.000 0.249 128 A C -1.953 175.586 177.584 -0.074 0.000 1.084 128 A CA -1.248 50.775 52.037 -0.022 0.000 0.781 128 A CB -0.511 18.466 19.000 -0.039 0.000 1.019 128 A HN -0.058 nan 8.150 nan 0.000 0.490 129 P HA 0.341 nan 4.420 nan 0.000 0.273 129 P C -0.749 176.504 177.300 -0.078 0.000 1.250 129 P CA -0.151 62.906 63.100 -0.072 0.000 0.793 129 P CB 0.897 32.574 31.700 -0.039 0.000 1.011 130 V N 0.059 119.914 119.914 -0.098 0.000 2.777 130 V HA 0.470 4.590 4.120 -0.000 0.000 0.306 130 V C 0.510 176.558 176.094 -0.076 0.000 1.112 130 V CA -0.566 61.686 62.300 -0.080 0.000 0.917 130 V CB 2.033 33.809 31.823 -0.080 0.000 1.018 130 V HN 0.844 nan 8.190 nan 0.000 0.426 131 G N 3.050 111.846 108.800 -0.008 0.000 2.594 131 G HA2 0.327 4.286 3.960 -0.000 0.000 0.243 131 G HA3 0.327 4.286 3.960 -0.000 0.000 0.243 131 G C -0.093 174.814 174.900 0.010 0.000 1.229 131 G CA -0.363 44.772 45.100 0.057 0.000 0.843 131 G HN 0.782 nan 8.290 nan 0.000 0.578 132 E N 0.848 121.091 120.200 0.072 0.000 2.414 132 E HA 0.087 4.437 4.350 -0.000 0.000 0.263 132 E C -0.172 176.398 176.600 -0.049 0.000 1.000 132 E CA 0.056 56.444 56.400 -0.019 0.000 0.914 132 E CB 0.717 30.442 29.700 0.043 0.000 0.948 132 E HN 0.142 nan 8.360 nan 0.000 0.444 133 R N 3.483 123.921 120.500 -0.104 0.000 2.229 133 R HA 0.319 4.659 4.340 -0.000 0.000 0.332 133 R C -2.434 173.776 176.300 -0.149 0.000 0.989 133 R CA -2.532 53.522 56.100 -0.076 0.000 0.842 133 R CB 0.751 31.070 30.300 0.031 0.000 1.119 133 R HN 0.399 nan 8.270 nan 0.000 0.456 134 P HA 0.219 nan 4.420 nan 0.000 0.274 134 P C -2.408 174.819 177.300 -0.121 0.000 1.231 134 P CA -1.557 61.480 63.100 -0.105 0.000 0.790 134 P CB 0.031 31.698 31.700 -0.055 0.000 0.951 135 P HA -0.015 nan 4.420 nan 0.000 0.261 135 P C -0.748 176.386 177.300 -0.276 0.000 1.173 135 P CA 0.674 63.617 63.100 -0.261 0.000 0.760 135 P CB 0.159 31.706 31.700 -0.256 0.000 0.783 136 V N 5.208 124.947 119.914 -0.292 0.000 2.409 136 V HA 0.254 4.373 4.120 -0.000 0.000 0.291 136 V C 0.212 176.158 176.094 -0.247 0.000 1.020 136 V CA -0.539 61.668 62.300 -0.155 0.000 0.848 136 V CB 0.953 32.777 31.823 0.002 0.000 0.990 136 V HN 0.599 nan 8.190 nan 0.000 0.430 137 H N 3.586 122.672 119.070 0.027 0.000 2.525 137 H HA 0.424 4.980 4.556 -0.000 0.000 0.340 137 H C -0.105 175.233 175.328 0.018 0.000 1.168 137 H CA -0.457 55.603 56.048 0.020 0.000 1.247 137 H CB 1.433 31.198 29.762 0.005 0.000 1.568 137 H HN 0.637 nan 8.280 nan 0.000 0.536 138 E N 1.381 121.666 120.200 0.140 0.000 2.291 138 E HA -0.197 4.152 4.350 -0.000 0.000 0.181 138 E C -0.557 176.070 176.600 0.046 0.000 1.480 138 E CA 0.192 56.636 56.400 0.074 0.000 0.674 138 E CB -1.337 28.399 29.700 0.061 0.000 1.108 138 E HN 0.416 nan 8.360 nan 0.000 0.357 139 L N 1.947 123.191 121.223 0.036 0.000 2.397 139 L HA 0.286 4.626 4.340 -0.000 0.000 0.271 139 L C -1.267 175.606 176.870 0.005 0.000 1.148 139 L CA -1.691 53.160 54.840 0.018 0.000 0.825 139 L CB -0.062 42.008 42.059 0.019 0.000 1.117 139 L HN 0.004 nan 8.230 nan 0.000 0.456 140 P HA 0.133 nan 4.420 nan 0.000 0.276 140 P C -0.892 176.399 177.300 -0.015 0.000 1.243 140 P CA -0.128 62.967 63.100 -0.009 0.000 0.768 140 P CB 1.334 33.026 31.700 -0.013 0.000 0.856 141 V N 3.504 123.409 119.914 -0.015 0.000 2.495 141 V HA 0.317 4.437 4.120 -0.000 0.000 0.298 141 V C 0.327 176.410 176.094 -0.019 0.000 1.031 141 V CA -0.356 61.931 62.300 -0.021 0.000 0.871 141 V CB 1.787 33.594 31.823 -0.027 0.000 0.988 141 V HN 0.565 nan 8.190 nan 0.000 0.432 142 S N 2.691 118.380 115.700 -0.019 0.000 2.537 142 S HA 0.942 5.412 4.470 -0.000 0.000 0.301 142 S C 0.377 174.970 174.600 -0.012 0.000 1.092 142 S CA -0.071 58.122 58.200 -0.012 0.000 1.048 142 S CB 1.662 64.857 63.200 -0.008 0.000 1.053 142 S HN 1.803 nan 8.310 nan 0.000 0.501 143 G N 1.283 110.080 108.800 -0.006 0.000 2.698 143 G HA2 -0.146 3.814 3.960 -0.000 0.000 0.225 143 G HA3 -0.146 3.814 3.960 -0.000 0.000 0.225 143 G C -0.848 174.044 174.900 -0.013 0.000 1.345 143 G CA -0.812 44.288 45.100 -0.002 0.000 0.871 143 G HN 0.792 nan 8.290 nan 0.000 0.540 144 R N -0.196 120.296 120.500 -0.013 0.000 2.371 144 R HA 0.474 4.814 4.340 -0.000 0.000 0.312 144 R C 0.364 176.630 176.300 -0.058 0.000 0.980 144 R CA -0.839 55.247 56.100 -0.024 0.000 0.867 144 R CB 0.327 30.626 30.300 -0.002 0.000 1.163 144 R HN 0.501 nan 8.270 nan 0.000 0.492 145 I N 6.303 126.815 120.570 -0.097 0.000 2.587 145 I HA 0.065 4.235 4.170 -0.000 0.000 0.284 145 I C -1.829 174.168 176.117 -0.200 0.000 1.134 145 I CA -1.597 59.592 61.300 -0.185 0.000 1.410 145 I CB 0.589 38.478 38.000 -0.186 0.000 1.392 145 I HN 0.277 nan 8.210 nan 0.000 0.545 146 P HA 0.005 nan 4.420 nan 0.000 0.262 146 P C -1.979 175.136 177.300 -0.309 0.000 1.182 146 P CA -0.795 62.180 63.100 -0.208 0.000 0.761 146 P CB 0.112 31.625 31.700 -0.312 0.000 0.795 147 P HA -0.078 nan 4.420 nan 0.000 0.235 147 P C 1.186 178.450 177.300 -0.060 0.000 1.177 147 P CA 0.709 63.771 63.100 -0.064 0.000 0.785 147 P CB -0.310 31.402 31.700 0.021 0.000 0.885 148 F N 0.006 119.920 119.950 -0.060 0.000 2.234 148 F HA 0.069 4.596 4.527 -0.000 0.000 0.299 148 F C 0.966 176.739 175.800 -0.045 0.000 1.087 148 F CA -0.100 57.878 58.000 -0.036 0.000 1.340 148 F CB -1.650 37.342 39.000 -0.013 0.000 1.031 148 F HN -0.328 nan 8.300 nan 0.000 0.500 149 I N 2.882 122.768 120.570 -1.141 0.000 2.741 149 I HA -0.012 4.157 4.170 -0.000 0.000 0.288 149 I C -0.571 175.380 176.117 -0.277 0.000 1.192 149 I CA 0.690 61.519 61.300 -0.786 0.000 1.426 149 I CB -0.074 37.381 38.000 -0.909 0.000 1.367 149 I HN 0.216 nan 8.210 nan 0.000 0.563 150 D N 5.496 125.859 120.400 -0.062 0.000 2.318 150 D HA 0.577 5.217 4.640 -0.000 0.000 0.233 150 D C -0.447 175.882 176.300 0.048 0.000 1.348 150 D CA -0.056 53.945 54.000 0.001 0.000 0.983 150 D CB 0.887 41.685 40.800 -0.004 0.000 1.416 150 D HN 0.742 nan 8.370 nan 0.000 0.558 151 G N 0.271 109.068 108.800 -0.005 0.000 2.364 151 G HA2 0.456 4.416 3.960 -0.000 0.000 0.286 151 G HA3 0.456 4.416 3.960 -0.000 0.000 0.286 151 G C -1.787 172.865 174.900 -0.414 0.000 1.241 151 G CA -0.316 44.577 45.100 -0.345 0.000 0.887 151 G HN 0.374 nan 8.290 nan 0.000 0.484 152 V N 0.554 120.003 119.914 -0.776 0.000 2.588 152 V HA 0.521 4.641 4.120 -0.000 0.000 0.304 152 V C -1.374 174.486 176.094 -0.389 0.000 1.042 152 V CA -0.715 61.339 62.300 -0.409 0.000 0.877 152 V CB 1.654 33.301 31.823 -0.292 0.000 0.996 152 V HN 0.788 nan 8.190 nan 0.000 0.425 153 Y N 4.671 124.947 120.300 -0.040 0.000 2.367 153 Y HA 0.743 5.293 4.550 -0.000 0.000 0.342 153 Y C 0.098 176.051 175.900 0.089 0.000 0.979 153 Y CA -1.015 57.172 58.100 0.144 0.000 1.161 153 Y CB 0.950 39.507 38.460 0.163 0.000 1.155 153 Y HN 0.743 nan 8.280 nan 0.000 0.503 154 A N 7.738 130.347 122.820 -0.352 0.000 2.342 154 A HA 0.805 5.125 4.320 -0.000 0.000 0.323 154 A C -0.988 176.358 177.584 -0.397 0.000 1.125 154 A CA -1.001 50.851 52.037 -0.309 0.000 0.785 154 A CB 1.139 20.066 19.000 -0.121 0.000 1.221 154 A HN 0.790 nan 8.150 nan 0.000 0.463 155 R N 2.276 122.646 120.500 -0.216 0.000 2.514 155 R HA 0.252 4.592 4.340 -0.000 0.000 0.296 155 R C -1.201 175.136 176.300 0.061 0.000 1.012 155 R CA -0.619 55.441 56.100 -0.067 0.000 0.897 155 R CB 1.325 31.631 30.300 0.012 0.000 1.184 155 R HN 0.906 nan 8.270 nan 0.000 0.440 156 N N 1.045 119.797 118.700 0.087 0.000 2.379 156 N HA 0.599 5.339 4.740 -0.000 0.000 0.260 156 N C -0.327 175.190 175.510 0.012 0.000 1.254 156 N CA 0.473 53.575 53.050 0.088 0.000 0.958 156 N CB 1.604 40.183 38.487 0.153 0.000 1.208 156 N HN 0.795 nan 8.380 nan 0.000 0.532 157 G N -1.596 107.166 108.800 -0.063 0.000 2.313 157 G HA2 0.519 4.479 3.960 -0.000 0.000 0.296 157 G HA3 0.519 4.479 3.960 -0.000 0.000 0.296 157 G C -1.942 172.760 174.900 -0.331 0.000 1.356 157 G CA -0.109 44.722 45.100 -0.448 0.000 0.833 157 G HN 0.620 nan 8.290 nan 0.000 0.552 158 A N -0.494 122.016 122.820 -0.516 0.000 2.290 158 A HA 0.797 5.117 4.320 -0.000 0.000 0.310 158 A C -0.008 177.512 177.584 -0.107 0.000 1.202 158 A CA -0.371 51.587 52.037 -0.132 0.000 0.837 158 A CB 0.874 19.903 19.000 0.047 0.000 1.139 158 A HN 1.022 nan 8.150 nan 0.000 0.509 159 N N 1.941 120.603 118.700 -0.063 0.000 2.732 159 N HA 0.276 5.015 4.740 -0.000 0.000 0.235 159 N C -3.043 172.462 175.510 -0.008 0.000 1.466 159 N CA -0.926 52.054 53.050 -0.116 0.000 0.751 159 N CB 1.602 39.891 38.487 -0.330 0.000 1.317 159 N HN 0.360 nan 8.380 nan 0.000 0.525 160 P HA -0.046 nan 4.420 nan 0.000 0.260 160 P C 1.144 178.518 177.300 0.123 0.000 1.207 160 P CA 0.023 63.193 63.100 0.117 0.000 0.780 160 P CB 1.012 32.729 31.700 0.027 0.000 0.789 161 C N 5.157 124.569 119.300 0.187 0.000 2.367 161 C HA -0.167 4.293 4.460 -0.000 0.000 0.276 161 C C 1.045 175.801 174.990 -0.390 0.000 1.195 161 C CA 1.074 60.035 59.018 -0.095 0.000 1.756 161 C CB -1.308 26.101 27.740 -0.551 0.000 2.046 161 C HN 0.454 nan 8.230 nan 0.000 0.453 162 F N 1.086 121.066 119.950 0.050 0.000 2.421 162 F HA 0.362 4.889 4.527 -0.000 0.000 0.337 162 F C 0.116 175.917 175.800 0.003 0.000 1.105 162 F CA -0.851 57.162 58.000 0.022 0.000 1.049 162 F CB 0.107 39.117 39.000 0.016 0.000 1.139 162 F HN 0.039 nan 8.300 nan 0.000 0.479 163 D N 4.729 125.223 120.400 0.157 0.000 2.520 163 D HA 0.016 4.656 4.640 -0.000 0.000 0.243 163 D C -2.238 174.098 176.300 0.059 0.000 1.160 163 D CA -0.880 53.156 54.000 0.059 0.000 0.877 163 D CB 0.406 41.238 40.800 0.053 0.000 1.150 163 D HN 0.111 nan 8.370 nan 0.000 0.494 164 P HA 0.023 nan 4.420 nan 0.000 0.271 164 P C -0.323 176.992 177.300 0.025 0.000 1.220 164 P CA -0.462 62.635 63.100 -0.005 0.000 0.768 164 P CB 0.696 32.320 31.700 -0.126 0.000 0.848 165 V N 2.783 122.725 119.914 0.047 0.000 3.061 165 V HA 0.026 4.146 4.120 -0.000 0.000 0.306 165 V C 1.380 177.509 176.094 0.057 0.000 1.118 165 V CA 0.035 62.361 62.300 0.044 0.000 1.231 165 V CB -0.678 31.171 31.823 0.042 0.000 0.956 165 V HN 0.834 nan 8.190 nan 0.000 0.499 166 A N 3.038 125.889 122.820 0.051 0.000 2.616 166 A HA 0.402 4.721 4.320 -0.000 0.000 0.234 166 A C 1.089 178.726 177.584 0.088 0.000 1.024 166 A CA 0.686 52.762 52.037 0.064 0.000 0.758 166 A CB -0.937 18.093 19.000 0.050 0.000 0.939 166 A HN 2.657 nan 8.150 nan 0.000 0.510 167 G N 1.426 110.296 108.800 0.117 0.000 3.251 167 G HA2 0.293 4.252 3.960 -0.000 0.000 0.680 167 G HA3 0.293 4.252 3.960 -0.000 0.000 0.680 167 G C -0.742 174.284 174.900 0.210 0.000 1.129 167 G CA 0.072 45.251 45.100 0.131 0.000 0.994 167 G HN 2.317 nan 8.290 nan 0.000 0.450 168 H N 1.539 120.661 119.070 0.086 0.000 3.156 168 H HA 0.376 4.932 4.556 -0.000 0.000 0.319 168 H C -1.487 173.930 175.328 0.149 0.000 1.067 168 H CA -0.537 55.576 56.048 0.107 0.000 1.417 168 H CB 1.747 31.566 29.762 0.095 0.000 2.050 168 H HN 0.794 nan 8.280 nan 0.000 0.473 169 H N 3.970 122.795 119.070 -0.410 0.000 2.499 169 H HA 0.183 4.739 4.556 -0.000 0.000 0.340 169 H C 0.858 176.014 175.328 -0.287 0.000 1.148 169 H CA -0.334 55.566 56.048 -0.247 0.000 1.215 169 H CB 1.520 31.183 29.762 -0.165 0.000 1.529 169 H HN 0.550 nan 8.280 nan 0.000 0.510 170 L N 2.997 123.836 121.223 -0.641 0.000 2.137 170 L HA -0.186 4.154 4.340 -0.000 0.000 0.213 170 L C 1.048 177.909 176.870 -0.016 0.000 1.085 170 L CA 1.777 56.457 54.840 -0.267 0.000 0.760 170 L CB -0.609 41.329 42.059 -0.202 0.000 0.893 170 L HN 0.628 nan 8.230 nan 0.000 0.434 171 F N -0.311 119.347 119.950 -0.487 0.000 2.502 171 F HA -0.093 4.434 4.527 -0.000 0.000 0.298 171 F C 2.210 178.036 175.800 0.043 0.000 1.111 171 F CA 0.734 58.711 58.000 -0.039 0.000 1.445 171 F CB -0.700 38.319 39.000 0.031 0.000 1.081 171 F HN 0.206 nan 8.300 nan 0.000 0.558 172 D N -0.101 120.343 120.400 0.073 0.000 2.269 172 D HA -0.017 4.623 4.640 -0.000 0.000 0.208 172 D C 1.648 178.057 176.300 0.181 0.000 0.963 172 D CA 0.618 54.651 54.000 0.055 0.000 0.864 172 D CB -0.392 40.332 40.800 -0.126 0.000 0.936 172 D HN 0.193 nan 8.370 nan 0.000 0.505 173 G N 0.721 109.676 108.800 0.259 0.000 2.636 173 G HA2 0.019 3.978 3.960 -0.000 0.000 0.246 173 G HA3 0.019 3.978 3.960 -0.000 0.000 0.246 173 G C 0.078 175.096 174.900 0.196 0.000 1.216 173 G CA -0.451 44.840 45.100 0.319 0.000 0.854 173 G HN -0.075 nan 8.290 nan 0.000 0.572 174 D N -0.282 120.217 120.400 0.165 0.000 2.423 174 D HA 0.256 4.896 4.640 -0.000 0.000 0.238 174 D C 0.921 177.252 176.300 0.052 0.000 1.142 174 D CA 0.562 54.637 54.000 0.125 0.000 0.884 174 D CB 1.112 42.040 40.800 0.214 0.000 1.199 174 D HN 0.417 nan 8.370 nan 0.000 0.438 175 G N 0.933 109.752 108.800 0.031 0.000 2.380 175 G HA2 0.412 4.372 3.960 -0.000 0.000 0.262 175 G HA3 0.412 4.372 3.960 -0.000 0.000 0.262 175 G C -0.385 174.456 174.900 -0.099 0.000 1.243 175 G CA -0.368 44.727 45.100 -0.009 0.000 0.865 175 G HN 0.397 nan 8.290 nan 0.000 0.513 176 M N 2.814 122.321 119.600 -0.156 0.000 2.386 176 M HA 0.541 5.021 4.480 -0.000 0.000 0.293 176 M C -0.909 175.318 176.300 -0.122 0.000 1.120 176 M CA -0.836 54.310 55.300 -0.256 0.000 0.909 176 M CB 2.419 34.718 32.600 -0.502 0.000 1.661 176 M HN 0.408 nan 8.290 nan 0.000 0.452 177 V N 0.857 120.679 119.914 -0.154 0.000 2.581 177 V HA 0.627 4.747 4.120 -0.000 0.000 0.303 177 V C -1.173 174.796 176.094 -0.209 0.000 1.041 177 V CA -0.644 61.613 62.300 -0.073 0.000 0.907 177 V CB 1.399 33.187 31.823 -0.058 0.000 0.994 177 V HN 0.904 nan 8.190 nan 0.000 0.442 178 H N 2.132 121.120 119.070 -0.137 0.000 2.505 178 H HA 0.860 5.416 4.556 -0.000 0.000 0.338 178 H C 0.039 175.319 175.328 -0.080 0.000 1.057 178 H CA 0.297 56.270 56.048 -0.124 0.000 1.202 178 H CB 1.821 31.565 29.762 -0.029 0.000 1.466 178 H HN 1.164 nan 8.280 nan 0.000 0.499 179 A N 3.165 125.944 122.820 -0.069 0.000 2.356 179 A HA 0.585 4.904 4.320 -0.000 0.000 0.310 179 A C -1.575 176.041 177.584 0.053 0.000 1.075 179 A CA -0.625 51.391 52.037 -0.035 0.000 0.746 179 A CB 0.880 19.812 19.000 -0.114 0.000 1.221 179 A HN 0.487 nan 8.150 nan 0.000 0.443 180 L N 2.204 123.523 121.223 0.160 0.000 2.372 180 L HA 0.644 4.983 4.340 -0.000 0.000 0.273 180 L C -0.114 176.824 176.870 0.113 0.000 0.989 180 L CA -0.556 54.408 54.840 0.206 0.000 0.841 180 L CB 1.414 43.687 42.059 0.356 0.000 1.225 180 L HN 0.771 nan 8.230 nan 0.000 0.414 181 R N 4.764 125.294 120.500 0.051 0.000 2.442 181 R HA 0.593 4.933 4.340 -0.000 0.000 0.291 181 R C -1.095 175.223 176.300 0.030 0.000 1.069 181 R CA 0.347 56.455 56.100 0.013 0.000 1.022 181 R CB 0.214 30.516 30.300 0.003 0.000 0.976 181 R HN 0.710 nan 8.270 nan 0.000 0.443 182 I N 5.793 126.376 120.570 0.021 0.000 2.499 182 I HA 0.494 4.663 4.170 -0.000 0.000 0.288 182 I C -0.597 175.504 176.117 -0.027 0.000 1.048 182 I CA -0.903 60.398 61.300 0.002 0.000 1.062 182 I CB 1.789 39.794 38.000 0.008 0.000 1.238 182 I HN 0.727 nan 8.210 nan 0.000 0.426 183 R N 2.803 123.274 120.500 -0.048 0.000 2.687 183 R HA 0.453 4.793 4.340 -0.000 0.000 0.265 183 R C -0.811 175.454 176.300 -0.059 0.000 1.048 183 R CA -1.039 55.024 56.100 -0.062 0.000 0.884 183 R CB 0.568 30.845 30.300 -0.039 0.000 1.258 183 R HN 0.483 nan 8.270 nan 0.000 0.469 184 N N 0.480 119.141 118.700 -0.065 0.000 2.714 184 N HA -0.166 4.573 4.740 -0.000 0.000 0.253 184 N C 0.773 176.252 175.510 -0.052 0.000 1.024 184 N CA 1.810 54.832 53.050 -0.046 0.000 0.726 184 N CB -0.857 37.617 38.487 -0.023 0.000 0.908 184 N HN 1.192 nan 8.380 nan 0.000 0.542 185 G N -2.178 106.570 108.800 -0.085 0.000 2.187 185 G HA2 -0.091 3.869 3.960 -0.000 0.000 0.261 185 G HA3 -0.091 3.869 3.960 -0.000 0.000 0.261 185 G C 0.237 175.097 174.900 -0.066 0.000 1.000 185 G CA 0.789 45.839 45.100 -0.083 0.000 0.718 185 G HN 1.075 nan 8.290 nan 0.000 0.519 186 A N -0.910 121.874 122.820 -0.060 0.000 2.384 186 A HA 0.997 5.317 4.320 -0.000 0.000 0.312 186 A C 0.206 177.773 177.584 -0.029 0.000 1.113 186 A CA 0.258 52.275 52.037 -0.034 0.000 0.779 186 A CB 1.730 20.721 19.000 -0.015 0.000 1.307 186 A HN 1.944 nan 8.150 nan 0.000 0.436 187 A N 0.739 123.555 122.820 -0.006 0.000 2.690 187 A HA 0.493 4.812 4.320 -0.000 0.000 0.342 187 A C 0.514 178.121 177.584 0.039 0.000 1.410 187 A CA -0.306 51.741 52.037 0.015 0.000 0.958 187 A CB -0.384 18.627 19.000 0.019 0.000 1.153 187 A HN 0.904 nan 8.150 nan 0.000 0.497 188 E N 1.073 121.299 120.200 0.044 0.000 2.085 188 E HA -0.100 4.250 4.350 -0.000 0.000 0.194 188 E C 0.339 177.005 176.600 0.109 0.000 0.994 188 E CA 1.496 57.946 56.400 0.083 0.000 0.801 188 E CB 0.054 29.798 29.700 0.073 0.000 0.743 188 E HN 0.792 nan 8.360 nan 0.000 0.453 189 S N -0.990 114.729 115.700 0.032 0.000 2.584 189 S HA 0.274 4.744 4.470 -0.000 0.000 0.280 189 S C -1.352 173.235 174.600 -0.021 0.000 1.162 189 S CA -1.021 57.115 58.200 -0.107 0.000 0.951 189 S CB 0.691 63.767 63.200 -0.206 0.000 1.108 189 S HN 0.231 nan 8.310 nan 0.000 0.464 190 Y N 2.941 123.162 120.300 -0.132 0.000 2.330 190 Y HA 0.755 5.305 4.550 -0.000 0.000 0.336 190 Y C -0.378 175.448 175.900 -0.124 0.000 1.036 190 Y CA -0.206 57.848 58.100 -0.076 0.000 1.125 190 Y CB 1.202 39.645 38.460 -0.029 0.000 1.194 190 Y HN 1.194 nan 8.280 nan 0.000 0.469 191 A N 4.466 126.666 122.820 -1.034 0.000 2.498 191 A HA 0.775 5.095 4.320 -0.000 0.000 0.298 191 A C -1.401 175.497 177.584 -1.144 0.000 1.075 191 A CA -0.285 51.215 52.037 -0.896 0.000 0.714 191 A CB 0.506 19.239 19.000 -0.445 0.000 1.299 191 A HN 1.265 nan 8.150 nan 0.000 0.407 192 C N 0.985 119.799 119.300 -0.810 0.000 2.686 192 C HA 0.991 5.451 4.460 -0.000 0.000 0.318 192 C C -0.989 173.737 174.990 -0.441 0.000 1.160 192 C CA -0.865 57.715 59.018 -0.730 0.000 1.396 192 C CB 1.480 28.661 27.740 -0.932 0.000 1.924 192 C HN 0.920 nan 8.230 nan 0.000 0.471 193 R N 2.071 122.343 120.500 -0.379 0.000 2.626 193 R HA 0.472 4.812 4.340 -0.000 0.000 0.274 193 R C -1.274 174.926 176.300 -0.167 0.000 1.031 193 R CA -0.501 55.492 56.100 -0.178 0.000 0.898 193 R CB 1.388 31.624 30.300 -0.108 0.000 1.222 193 R HN 0.792 nan 8.270 nan 0.000 0.455 194 F N 0.870 120.729 119.950 -0.152 0.000 2.553 194 F HA 0.055 4.582 4.527 -0.000 0.000 0.356 194 F C 1.355 177.090 175.800 -0.109 0.000 1.142 194 F CA 0.735 58.660 58.000 -0.124 0.000 1.322 194 F CB 0.308 39.235 39.000 -0.121 0.000 1.126 194 F HN 0.220 nan 8.300 nan 0.000 0.599 195 T N 3.239 117.827 114.554 0.056 0.000 2.761 195 T HA 0.074 4.423 4.350 -0.000 0.000 0.296 195 T C 0.139 174.813 174.700 -0.044 0.000 0.934 195 T CA -0.714 61.379 62.100 -0.011 0.000 1.091 195 T CB 0.270 69.090 68.868 -0.081 0.000 0.896 195 T HN 0.320 nan 8.240 nan 0.000 0.515 196 E N 3.831 124.026 120.200 -0.010 0.000 1.896 196 E HA 0.029 4.378 4.350 -0.000 0.000 0.276 196 E C 0.748 177.325 176.600 -0.038 0.000 1.171 196 E CA -0.063 56.333 56.400 -0.007 0.000 1.118 196 E CB -0.486 29.237 29.700 0.038 0.000 1.077 196 E HN 0.723 nan 8.360 nan 0.000 0.452 197 T N -2.296 112.134 114.554 -0.207 0.000 2.869 197 T HA 0.353 4.703 4.350 -0.000 0.000 0.295 197 T C 1.542 176.218 174.700 -0.041 0.000 0.987 197 T CA -0.224 61.682 62.100 -0.323 0.000 1.109 197 T CB 1.821 70.416 68.868 -0.456 0.000 0.932 197 T HN 0.233 nan 8.240 nan 0.000 0.518 198 A N 2.807 125.707 122.820 0.133 0.000 2.001 198 A HA -0.283 4.037 4.320 -0.000 0.000 0.224 198 A C 2.443 179.988 177.584 -0.064 0.000 1.203 198 A CA 2.295 54.384 52.037 0.086 0.000 0.667 198 A CB -0.924 18.160 19.000 0.140 0.000 0.823 198 A HN 0.965 nan 8.150 nan 0.000 0.473 199 R N -1.201 119.144 120.500 -0.258 0.000 2.066 199 R HA -0.081 4.258 4.340 -0.000 0.000 0.232 199 R C 2.139 178.306 176.300 -0.221 0.000 1.131 199 R CA 1.693 57.424 56.100 -0.615 0.000 0.955 199 R CB -0.406 29.500 30.300 -0.657 0.000 0.851 199 R HN 0.465 nan 8.270 nan 0.000 0.432 200 L N 1.342 122.501 121.223 -0.106 0.000 2.027 200 L HA -0.082 4.257 4.340 -0.000 0.000 0.206 200 L C 2.397 179.284 176.870 0.027 0.000 1.074 200 L CA 1.606 56.438 54.840 -0.012 0.000 0.745 200 L CB -0.435 41.593 42.059 -0.051 0.000 0.898 200 L HN 0.095 nan 8.230 nan 0.000 0.433 201 R N -0.861 119.647 120.500 0.013 0.000 2.153 201 R HA -0.250 4.090 4.340 -0.000 0.000 0.252 201 R C 2.213 178.563 176.300 0.083 0.000 1.158 201 R CA 2.175 58.300 56.100 0.042 0.000 0.975 201 R CB -0.350 29.981 30.300 0.052 0.000 0.871 201 R HN 0.606 nan 8.270 nan 0.000 0.450 202 Q N -0.450 119.425 119.800 0.124 0.000 2.163 202 Q HA -0.080 4.260 4.340 -0.000 0.000 0.198 202 Q C 1.692 177.811 176.000 0.199 0.000 0.954 202 Q CA 0.796 56.715 55.803 0.194 0.000 0.851 202 Q CB 0.232 29.182 28.738 0.354 0.000 0.928 202 Q HN 0.436 nan 8.270 nan 0.000 0.459 203 E N 0.392 120.730 120.200 0.229 0.000 2.274 203 E HA -0.072 4.277 4.350 -0.000 0.000 0.194 203 E C 1.950 178.682 176.600 0.220 0.000 0.996 203 E CA 0.199 56.730 56.400 0.218 0.000 0.840 203 E CB 0.221 30.112 29.700 0.320 0.000 0.772 203 E HN 0.185 nan 8.360 nan 0.000 0.491 204 R N 0.351 120.997 120.500 0.242 0.000 2.062 204 R HA -0.041 4.298 4.340 -0.000 0.000 0.229 204 R C 2.382 178.756 176.300 0.124 0.000 1.128 204 R CA 0.965 57.207 56.100 0.238 0.000 0.960 204 R CB -0.290 30.067 30.300 0.095 0.000 0.855 204 R HN 0.072 nan 8.270 nan 0.000 0.432 205 A N 1.220 124.087 122.820 0.079 0.000 1.958 205 A HA -0.182 4.138 4.320 -0.000 0.000 0.221 205 A C 1.980 179.571 177.584 0.013 0.000 1.178 205 A CA 1.637 53.700 52.037 0.044 0.000 0.642 205 A CB -0.438 18.591 19.000 0.048 0.000 0.816 205 A HN 0.306 nan 8.150 nan 0.000 0.453 206 I N -2.393 118.167 120.570 -0.016 0.000 3.854 206 I HA 0.279 4.449 4.170 -0.000 0.000 0.312 206 I C 1.424 177.443 176.117 -0.162 0.000 1.273 206 I CA 0.527 61.783 61.300 -0.073 0.000 1.298 206 I CB -0.088 37.867 38.000 -0.075 0.000 1.071 206 I HN 0.370 nan 8.210 nan 0.000 0.428 207 G N 2.681 111.331 108.800 -0.249 0.000 2.272 207 G HA2 -0.275 3.685 3.960 -0.000 0.000 0.280 207 G HA3 -0.275 3.685 3.960 -0.000 0.000 0.280 207 G C 0.087 174.439 174.900 -0.915 0.000 1.067 207 G CA 0.206 45.031 45.100 -0.458 0.000 0.902 207 G HN 0.490 nan 8.290 nan 0.000 0.500 208 R N -0.715 119.067 120.500 -1.196 0.000 2.644 208 R HA 0.397 4.736 4.340 -0.000 0.000 0.257 208 R C -3.106 172.905 176.300 -0.481 0.000 1.082 208 R CA -1.718 53.954 56.100 -0.714 0.000 0.927 208 R CB 1.697 31.808 30.300 -0.314 0.000 1.258 208 R HN 0.017 nan 8.270 nan 0.000 0.459 209 P HA 0.050 nan 4.420 nan 0.000 0.271 209 P C -0.490 176.847 177.300 0.061 0.000 1.216 209 P CA -0.141 62.995 63.100 0.059 0.000 0.771 209 P CB 1.240 33.008 31.700 0.114 0.000 0.864 210 V N 3.038 123.048 119.914 0.161 0.000 3.305 210 V HA 0.231 4.350 4.120 -0.000 0.000 0.247 210 V C -0.029 176.151 176.094 0.143 0.000 1.426 210 V CA 0.210 62.575 62.300 0.108 0.000 1.162 210 V CB -0.128 31.712 31.823 0.028 0.000 0.961 210 V HN 0.231 nan 8.190 nan 0.000 0.449 211 F N 4.244 124.289 119.950 0.159 0.000 2.495 211 F HA 0.425 4.952 4.527 -0.000 0.000 0.365 211 F C -1.689 174.091 175.800 -0.033 0.000 1.090 211 F CA -2.356 55.664 58.000 0.034 0.000 1.235 211 F CB 0.110 39.119 39.000 0.015 0.000 1.119 211 F HN 0.106 nan 8.300 nan 0.000 0.562 212 P HA 0.030 nan 4.420 nan 0.000 0.271 212 P C -0.902 176.431 177.300 0.055 0.000 1.216 212 P CA -0.487 62.619 63.100 0.009 0.000 0.776 212 P CB 0.629 32.285 31.700 -0.074 0.000 0.881 213 K N 2.143 122.596 120.400 0.089 0.000 2.379 213 K HA 0.220 4.540 4.320 -0.000 0.000 0.284 213 K C 1.340 177.953 176.600 0.022 0.000 1.044 213 K CA -0.128 56.214 56.287 0.092 0.000 0.974 213 K CB 0.599 33.180 32.500 0.135 0.000 0.962 213 K HN 0.459 nan 8.250 nan 0.000 0.474 214 A N 4.074 126.898 122.820 0.005 0.000 1.845 214 A HA -0.154 4.166 4.320 -0.000 0.000 0.215 214 A C 2.042 179.454 177.584 -0.285 0.000 1.195 214 A CA 1.391 53.398 52.037 -0.050 0.000 0.616 214 A CB -0.412 18.595 19.000 0.011 0.000 0.832 214 A HN 0.715 nan 8.150 nan 0.000 0.443 215 I N -0.819 119.541 120.570 -0.350 0.000 2.235 215 I HA -0.049 4.121 4.170 -0.000 0.000 0.241 215 I C 2.634 178.583 176.117 -0.280 0.000 1.085 215 I CA 1.125 62.034 61.300 -0.651 0.000 1.378 215 I CB -0.430 37.372 38.000 -0.330 0.000 1.076 215 I HN 0.377 nan 8.210 nan 0.000 0.415 216 G N -0.495 108.248 108.800 -0.096 0.000 2.484 216 G HA2 -0.128 3.832 3.960 -0.000 0.000 0.218 216 G HA3 -0.128 3.832 3.960 -0.000 0.000 0.218 216 G C 1.517 176.433 174.900 0.027 0.000 1.130 216 G CA 0.509 45.610 45.100 0.001 0.000 0.784 216 G HN 0.345 nan 8.290 nan 0.000 0.543 217 E N -0.727 119.483 120.200 0.017 0.000 2.192 217 E HA 0.260 4.610 4.350 -0.000 0.000 0.196 217 E C 2.340 178.962 176.600 0.036 0.000 0.922 217 E CA -0.283 56.134 56.400 0.028 0.000 0.924 217 E CB 0.061 29.787 29.700 0.043 0.000 0.911 217 E HN 0.209 nan 8.360 nan 0.000 0.478 218 L N 0.827 122.081 121.223 0.051 0.000 2.395 218 L HA -0.064 4.275 4.340 -0.000 0.000 0.218 218 L C 1.702 178.728 176.870 0.260 0.000 1.130 218 L CA 0.637 55.553 54.840 0.126 0.000 0.826 218 L CB -0.195 41.944 42.059 0.133 0.000 0.941 218 L HN 0.218 nan 8.230 nan 0.000 0.451 219 H N -0.397 118.691 119.070 0.031 0.000 2.544 219 H HA 0.163 4.719 4.556 -0.000 0.000 0.269 219 H C 1.443 176.780 175.328 0.014 0.000 0.970 219 H CA -0.048 56.011 56.048 0.019 0.000 1.219 219 H CB -0.340 29.419 29.762 -0.004 0.000 1.421 219 H HN 0.179 nan 8.280 nan 0.000 0.555 220 G N 0.184 109.063 108.800 0.131 0.000 2.631 220 G HA2 -0.048 3.912 3.960 -0.000 0.000 0.271 220 G HA3 -0.048 3.912 3.960 -0.000 0.000 0.271 220 G C 1.054 175.988 174.900 0.057 0.000 1.302 220 G CA 0.152 45.302 45.100 0.083 0.000 1.002 220 G HN 0.502 nan 8.290 nan 0.000 0.519 221 H N -1.442 117.636 119.070 0.014 0.000 2.363 221 H HA -0.102 4.453 4.556 -0.000 0.000 0.301 221 H C 2.282 177.619 175.328 0.015 0.000 1.074 221 H CA 1.747 57.791 56.048 -0.007 0.000 1.354 221 H CB -0.875 28.851 29.762 -0.059 0.000 1.397 221 H HN 0.437 nan 8.280 nan 0.000 0.516 222 S N 0.884 116.208 115.700 -0.627 0.000 2.507 222 S HA -0.004 4.466 4.470 -0.000 0.000 0.235 222 S C 2.357 176.901 174.600 -0.092 0.000 0.988 222 S CA 0.478 58.491 58.200 -0.312 0.000 0.944 222 S CB -1.010 61.964 63.200 -0.376 0.000 0.762 222 S HN 0.643 nan 8.310 nan 0.000 0.526 223 G N 2.766 111.530 108.800 -0.060 0.000 2.624 223 G HA2 -0.263 3.697 3.960 -0.000 0.000 0.221 223 G HA3 -0.263 3.697 3.960 -0.000 0.000 0.221 223 G C 1.313 176.255 174.900 0.070 0.000 1.169 223 G CA 1.339 46.456 45.100 0.030 0.000 0.771 223 G HN 0.562 nan 8.290 nan 0.000 0.598 224 I N 1.155 121.769 120.570 0.073 0.000 2.179 224 I HA -0.184 3.986 4.170 -0.000 0.000 0.242 224 I C 3.371 179.564 176.117 0.126 0.000 1.088 224 I CA 1.064 62.424 61.300 0.100 0.000 1.357 224 I CB -0.481 37.572 38.000 0.088 0.000 1.051 224 I HN 0.300 nan 8.210 nan 0.000 0.409 225 A N 0.851 123.745 122.820 0.122 0.000 1.892 225 A HA -0.255 4.065 4.320 -0.000 0.000 0.218 225 A C 2.364 180.052 177.584 0.173 0.000 1.188 225 A CA 1.596 53.734 52.037 0.169 0.000 0.631 225 A CB -0.627 18.477 19.000 0.174 0.000 0.822 225 A HN 0.295 nan 8.150 nan 0.000 0.447 226 R N -1.287 119.288 120.500 0.125 0.000 2.091 226 R HA -0.130 4.210 4.340 -0.000 0.000 0.238 226 R C 2.005 178.410 176.300 0.174 0.000 1.136 226 R CA 1.374 57.550 56.100 0.126 0.000 0.959 226 R CB -1.007 29.337 30.300 0.074 0.000 0.856 226 R HN 0.487 nan 8.270 nan 0.000 0.437 227 L N 0.542 121.877 121.223 0.186 0.000 2.141 227 L HA -0.055 4.285 4.340 -0.000 0.000 0.209 227 L C 2.268 179.370 176.870 0.386 0.000 1.094 227 L CA 1.649 56.656 54.840 0.279 0.000 0.763 227 L CB -0.718 41.492 42.059 0.253 0.000 0.908 227 L HN 0.117 nan 8.230 nan 0.000 0.437 228 A N -1.144 121.842 122.820 0.277 0.000 1.897 228 A HA -0.149 4.171 4.320 -0.000 0.000 0.215 228 A C 2.219 179.942 177.584 0.231 0.000 1.181 228 A CA 1.422 53.611 52.037 0.253 0.000 0.620 228 A CB -0.787 18.326 19.000 0.188 0.000 0.821 228 A HN 0.389 nan 8.150 nan 0.000 0.443 229 L N -1.451 119.906 121.223 0.223 0.000 2.042 229 L HA -0.153 4.187 4.340 -0.000 0.000 0.210 229 L C 2.216 179.163 176.870 0.129 0.000 1.076 229 L CA 2.420 57.372 54.840 0.187 0.000 0.749 229 L CB -0.555 41.628 42.059 0.205 0.000 0.893 229 L HN 0.414 nan 8.230 nan 0.000 0.432 230 F N -0.780 119.164 119.950 -0.010 0.000 2.075 230 F HA -0.250 4.277 4.527 -0.000 0.000 0.297 230 F C 2.015 177.691 175.800 -0.206 0.000 1.113 230 F CA 1.726 59.625 58.000 -0.168 0.000 1.218 230 F CB -0.551 38.293 39.000 -0.260 0.000 0.984 230 F HN 0.097 nan 8.300 nan 0.000 0.472 231 Y N 0.081 120.431 120.300 0.084 0.000 2.509 231 Y HA 0.018 4.568 4.550 -0.000 0.000 0.293 231 Y C 2.372 178.225 175.900 -0.077 0.000 1.133 231 Y CA 0.714 58.800 58.100 -0.024 0.000 1.283 231 Y CB -1.005 37.520 38.460 0.107 0.000 1.001 231 Y HN 0.186 nan 8.280 nan 0.000 0.555 232 A N 0.299 123.155 122.820 0.060 0.000 1.854 232 A HA -0.158 4.162 4.320 -0.000 0.000 0.214 232 A C 2.279 179.814 177.584 -0.083 0.000 1.192 232 A CA 1.382 53.419 52.037 0.000 0.000 0.611 232 A CB -0.452 18.549 19.000 0.003 0.000 0.832 232 A HN 0.344 nan 8.150 nan 0.000 0.442 233 R N -0.482 119.916 120.500 -0.169 0.000 2.083 233 R HA -0.120 4.220 4.340 -0.000 0.000 0.237 233 R C 2.431 178.561 176.300 -0.282 0.000 1.137 233 R CA 1.313 57.272 56.100 -0.234 0.000 0.951 233 R CB -0.498 29.619 30.300 -0.305 0.000 0.851 233 R HN 0.507 nan 8.270 nan 0.000 0.434 234 A N 0.989 123.544 122.820 -0.441 0.000 2.024 234 A HA -0.119 4.201 4.320 -0.000 0.000 0.220 234 A C 2.268 179.776 177.584 -0.127 0.000 1.164 234 A CA 1.659 53.479 52.037 -0.361 0.000 0.643 234 A CB -0.518 18.181 19.000 -0.501 0.000 0.806 234 A HN 0.428 nan 8.150 nan 0.000 0.451 235 A N -1.594 121.187 122.820 -0.065 0.000 2.067 235 A HA -0.051 4.269 4.320 -0.000 0.000 0.219 235 A C 1.689 179.285 177.584 0.021 0.000 1.158 235 A CA 1.389 53.427 52.037 0.003 0.000 0.661 235 A CB -0.789 18.227 19.000 0.026 0.000 0.801 235 A HN 0.594 nan 8.150 nan 0.000 0.452 236 C N -0.555 118.746 119.300 0.003 0.000 2.589 236 C HA 0.492 4.952 4.460 -0.000 0.000 0.307 236 C C 1.836 176.843 174.990 0.028 0.000 1.328 236 C CA -0.295 58.760 59.018 0.062 0.000 1.742 236 C CB -1.332 26.423 27.740 0.025 0.000 2.037 236 C HN 0.942 nan 8.230 nan 0.000 0.592 237 G N 1.501 110.296 108.800 -0.008 0.000 2.212 237 G HA2 -0.305 3.655 3.960 -0.000 0.000 0.267 237 G HA3 -0.305 3.655 3.960 -0.000 0.000 0.267 237 G C 0.608 175.484 174.900 -0.039 0.000 1.002 237 G CA 0.666 45.757 45.100 -0.016 0.000 0.729 237 G HN 0.621 nan 8.290 nan 0.000 0.517 238 L N -1.147 120.026 121.223 -0.084 0.000 2.509 238 L HA 0.299 4.639 4.340 -0.000 0.000 0.222 238 L C 0.638 177.423 176.870 -0.141 0.000 1.123 238 L CA 0.402 55.181 54.840 -0.101 0.000 0.856 238 L CB 0.125 42.111 42.059 -0.121 0.000 0.985 238 L HN 0.212 nan 8.230 nan 0.000 0.456 239 V N -2.682 117.112 119.914 -0.200 0.000 3.120 239 V HA 0.416 4.536 4.120 -0.000 0.000 0.303 239 V C -1.622 174.385 176.094 -0.146 0.000 1.238 239 V CA -0.928 61.222 62.300 -0.249 0.000 1.008 239 V CB 2.598 34.024 31.823 -0.661 0.000 1.064 239 V HN -0.214 nan 8.190 nan 0.000 0.434 240 D N 2.461 122.886 120.400 0.043 0.000 2.473 240 D HA 0.568 5.207 4.640 -0.000 0.000 0.253 240 D C -2.098 174.387 176.300 0.309 0.000 1.233 240 D CA -1.697 52.381 54.000 0.129 0.000 0.908 240 D CB 2.795 43.670 40.800 0.124 0.000 1.170 240 D HN 0.257 nan 8.370 nan 0.000 0.558 241 P HA -0.011 nan 4.420 nan 0.000 0.230 241 P C 1.391 178.859 177.300 0.280 0.000 1.168 241 P CA 0.222 63.576 63.100 0.423 0.000 0.793 241 P CB 0.342 32.303 31.700 0.435 0.000 0.851 242 S N 0.448 116.273 115.700 0.208 0.000 2.444 242 S HA -0.217 4.253 4.470 -0.000 0.000 0.244 242 S C 1.603 176.283 174.600 0.133 0.000 1.025 242 S CA 1.389 59.681 58.200 0.152 0.000 0.995 242 S CB -0.900 62.370 63.200 0.117 0.000 0.781 242 S HN 0.172 nan 8.310 nan 0.000 0.496 243 A N 0.071 122.981 122.820 0.149 0.000 2.462 243 A HA 0.604 4.924 4.320 -0.000 0.000 0.261 243 A C 1.030 178.694 177.584 0.132 0.000 1.323 243 A CA 0.376 52.485 52.037 0.121 0.000 0.913 243 A CB -1.074 17.996 19.000 0.118 0.000 1.028 243 A HN 1.509 nan 8.150 nan 0.000 0.511 244 G N -1.037 107.853 108.800 0.149 0.000 2.731 244 G HA2 0.009 3.969 3.960 -0.000 0.000 0.686 244 G HA3 0.009 3.969 3.960 -0.000 0.000 0.686 244 G C 0.200 175.182 174.900 0.138 0.000 1.395 244 G CA 0.130 45.319 45.100 0.148 0.000 0.870 244 G HN 1.367 nan 8.290 nan 0.000 0.591 245 T N -0.469 114.153 114.554 0.114 0.000 3.288 245 T HA 0.613 4.963 4.350 -0.000 0.000 0.293 245 T C 1.277 175.975 174.700 -0.003 0.000 1.008 245 T CA 0.978 63.089 62.100 0.019 0.000 0.929 245 T CB 0.556 69.507 68.868 0.138 0.000 1.152 245 T HN 1.929 nan 8.240 nan 0.000 0.517 246 G N 0.239 109.078 108.800 0.064 0.000 2.699 246 G HA2 0.415 4.375 3.960 -0.000 0.000 0.246 246 G HA3 0.415 4.375 3.960 -0.000 0.000 0.246 246 G C 0.408 175.314 174.900 0.010 0.000 1.219 246 G CA -0.280 44.868 45.100 0.080 0.000 0.866 246 G HN 0.286 nan 8.290 nan 0.000 0.572 247 V N 0.744 120.678 119.914 0.034 0.000 3.432 247 V HA 0.418 4.538 4.120 -0.000 0.000 0.298 247 V C 1.586 177.680 176.094 -0.000 0.000 1.464 247 V CA 1.104 63.406 62.300 0.004 0.000 1.046 247 V CB -0.395 31.469 31.823 0.067 0.000 0.887 247 V HN 1.805 nan 8.190 nan 0.000 0.441 248 A N 2.439 125.277 122.820 0.029 0.000 2.596 248 A HA -0.250 4.070 4.320 -0.000 0.000 0.300 248 A C 1.088 178.727 177.584 0.091 0.000 1.495 248 A CA 1.405 53.475 52.037 0.054 0.000 0.769 248 A CB -1.944 17.011 19.000 -0.075 0.000 1.047 248 A HN 1.012 nan 8.150 nan 0.000 0.436 249 N N -1.095 117.698 118.700 0.155 0.000 2.197 249 N HA 0.418 5.158 4.740 -0.000 0.000 0.201 249 N C 0.461 176.182 175.510 0.352 0.000 1.148 249 N CA 0.765 53.947 53.050 0.220 0.000 0.883 249 N CB 0.013 38.654 38.487 0.257 0.000 1.012 249 N HN 1.061 nan 8.380 nan 0.000 0.507 250 A N 0.440 123.426 122.820 0.277 0.000 3.215 250 A HA 0.724 5.043 4.320 -0.000 0.000 0.269 250 A C 0.836 178.582 177.584 0.270 0.000 1.517 250 A CA -0.062 52.144 52.037 0.281 0.000 1.221 250 A CB -1.151 17.983 19.000 0.222 0.000 1.160 250 A HN 0.688 nan 8.150 nan 0.000 0.620 251 G N -0.374 108.613 108.800 0.311 0.000 2.746 251 G HA2 0.048 4.008 3.960 -0.000 0.000 0.685 251 G HA3 0.048 4.008 3.960 -0.000 0.000 0.685 251 G C -0.928 174.076 174.900 0.174 0.000 1.350 251 G CA -0.419 44.835 45.100 0.257 0.000 0.837 251 G HN 1.071 nan 8.290 nan 0.000 0.564 252 L N -0.830 120.493 121.223 0.167 0.000 2.434 252 L HA 0.827 5.167 4.340 -0.000 0.000 0.260 252 L C 0.381 177.354 176.870 0.172 0.000 0.983 252 L CA -1.366 53.570 54.840 0.160 0.000 0.820 252 L CB 2.274 44.422 42.059 0.149 0.000 1.361 252 L HN 1.155 nan 8.230 nan 0.000 0.410 253 V N -1.430 118.595 119.914 0.185 0.000 2.914 253 V HA 0.524 4.644 4.120 -0.000 0.000 0.314 253 V C -1.509 174.744 176.094 0.265 0.000 1.084 253 V CA -0.857 61.576 62.300 0.221 0.000 0.963 253 V CB 2.035 33.985 31.823 0.211 0.000 1.025 253 V HN 0.609 nan 8.190 nan 0.000 0.432 254 Y N 4.023 124.412 120.300 0.147 0.000 2.417 254 Y HA 0.726 5.275 4.550 -0.000 0.000 0.336 254 Y C -1.127 174.893 175.900 0.200 0.000 0.961 254 Y CA -1.523 56.645 58.100 0.114 0.000 1.215 254 Y CB 1.255 39.754 38.460 0.066 0.000 1.120 254 Y HN 0.749 nan 8.280 nan 0.000 0.499 255 F N 6.110 125.861 119.950 -0.332 0.000 2.518 255 F HA 0.364 4.891 4.527 -0.000 0.000 0.323 255 F C -0.151 175.421 175.800 -0.380 0.000 1.129 255 F CA -1.208 56.654 58.000 -0.230 0.000 0.920 255 F CB 0.899 39.888 39.000 -0.020 0.000 1.160 255 F HN 0.558 nan 8.300 nan 0.000 0.440 256 N N 4.050 122.127 118.700 -1.038 0.000 2.699 256 N HA -0.188 4.552 4.740 -0.000 0.000 0.256 256 N C 0.857 175.999 175.510 -0.612 0.000 0.993 256 N CA 1.504 54.056 53.050 -0.830 0.000 0.759 256 N CB -1.305 36.608 38.487 -0.957 0.000 0.906 256 N HN 1.384 nan 8.380 nan 0.000 0.541 257 G N -1.537 106.852 108.800 -0.685 0.000 2.153 257 G HA2 -0.376 3.584 3.960 -0.000 0.000 0.252 257 G HA3 -0.376 3.584 3.960 -0.000 0.000 0.252 257 G C 0.004 174.539 174.900 -0.607 0.000 0.994 257 G CA 0.646 45.411 45.100 -0.559 0.000 0.698 257 G HN 0.624 nan 8.290 nan 0.000 0.521 258 R N -1.120 118.863 120.500 -0.861 0.000 2.561 258 R HA 0.650 4.990 4.340 -0.000 0.000 0.297 258 R C -0.408 175.652 176.300 -0.400 0.000 0.969 258 R CA -0.927 54.794 56.100 -0.632 0.000 0.879 258 R CB 1.662 31.340 30.300 -1.037 0.000 1.178 258 R HN 0.174 nan 8.270 nan 0.000 0.445 259 L N 4.363 125.615 121.223 0.048 0.000 2.315 259 L HA 0.377 4.717 4.340 -0.000 0.000 0.283 259 L C -1.272 175.652 176.870 0.089 0.000 1.089 259 L CA 0.217 55.182 54.840 0.207 0.000 0.833 259 L CB 0.327 42.544 42.059 0.264 0.000 1.170 259 L HN 0.539 nan 8.230 nan 0.000 0.442 260 L N 5.825 127.097 121.223 0.081 0.000 2.313 260 L HA 0.642 4.982 4.340 -0.000 0.000 0.283 260 L C 0.189 177.153 176.870 0.157 0.000 1.013 260 L CA -0.727 54.169 54.840 0.093 0.000 0.816 260 L CB 1.588 43.693 42.059 0.077 0.000 1.236 260 L HN 0.739 nan 8.230 nan 0.000 0.419 261 A N 5.753 128.686 122.820 0.188 0.000 2.310 261 A HA 0.560 4.879 4.320 -0.000 0.000 0.300 261 A C 0.090 177.798 177.584 0.208 0.000 1.269 261 A CA -0.531 51.616 52.037 0.183 0.000 0.909 261 A CB 0.154 19.254 19.000 0.167 0.000 1.144 261 A HN 0.605 nan 8.150 nan 0.000 0.540 262 M N 2.258 121.967 119.600 0.183 0.000 2.184 262 M HA 0.197 4.677 4.480 -0.000 0.000 0.351 262 M C 0.346 176.756 176.300 0.183 0.000 1.395 262 M CA 0.408 55.816 55.300 0.180 0.000 1.117 262 M CB 0.464 33.144 32.600 0.133 0.000 1.708 262 M HN 0.548 nan 8.290 nan 0.000 0.468 263 S N 2.281 118.097 115.700 0.195 0.000 2.449 263 S HA 0.246 4.716 4.470 -0.000 0.000 0.310 263 S C 1.133 175.834 174.600 0.168 0.000 1.096 263 S CA -0.545 57.765 58.200 0.184 0.000 1.095 263 S CB 1.035 64.360 63.200 0.207 0.000 1.007 263 S HN 0.607 nan 8.310 nan 0.000 0.474 264 E N 2.143 122.451 120.200 0.181 0.000 2.118 264 E HA -0.149 4.201 4.350 -0.000 0.000 0.195 264 E C 0.377 177.039 176.600 0.103 0.000 0.992 264 E CA 1.243 57.753 56.400 0.183 0.000 0.804 264 E CB 0.072 29.930 29.700 0.263 0.000 0.741 264 E HN 0.795 nan 8.360 nan 0.000 0.458 265 D N -0.703 119.761 120.400 0.105 0.000 2.563 265 D HA 0.123 4.763 4.640 -0.000 0.000 0.237 265 D C -0.100 176.248 176.300 0.081 0.000 1.282 265 D CA -0.228 53.810 54.000 0.063 0.000 0.816 265 D CB 0.315 41.168 40.800 0.088 0.000 1.066 265 D HN -0.138 nan 8.370 nan 0.000 0.501 266 D N -0.080 120.386 120.400 0.111 0.000 2.596 266 D HA 0.348 4.988 4.640 -0.000 0.000 0.262 266 D C -0.319 176.072 176.300 0.152 0.000 1.210 266 D CA -0.613 53.469 54.000 0.137 0.000 0.873 266 D CB 2.129 43.041 40.800 0.187 0.000 1.408 266 D HN -0.101 nan 8.370 nan 0.000 0.441 267 L N 1.378 122.686 121.223 0.143 0.000 2.492 267 L HA 0.197 4.537 4.340 -0.000 0.000 0.280 267 L C -1.752 175.243 176.870 0.210 0.000 1.240 267 L CA -1.064 53.859 54.840 0.138 0.000 0.831 267 L CB 0.060 42.150 42.059 0.052 0.000 1.100 267 L HN 0.281 nan 8.230 nan 0.000 0.505 268 P HA 0.013 nan 4.420 nan 0.000 0.269 268 P C -1.399 176.049 177.300 0.246 0.000 1.209 268 P CA 0.153 63.421 63.100 0.281 0.000 0.776 268 P CB 0.272 32.154 31.700 0.303 0.000 0.876 269 Y N 0.471 120.861 120.300 0.151 0.000 2.328 269 Y HA 0.229 4.779 4.550 -0.000 0.000 0.337 269 Y C 1.056 177.046 175.900 0.150 0.000 1.008 269 Y CA -0.211 57.976 58.100 0.144 0.000 1.129 269 Y CB 0.501 39.025 38.460 0.107 0.000 1.185 269 Y HN 0.418 nan 8.280 nan 0.000 0.476 270 H N 3.046 122.162 119.070 0.076 0.000 2.899 270 H HA 0.409 4.965 4.556 -0.000 0.000 0.303 270 H C -1.064 174.278 175.328 0.023 0.000 1.042 270 H CA -0.303 55.717 56.048 -0.046 0.000 1.479 270 H CB 0.572 30.224 29.762 -0.184 0.000 1.493 270 H HN 0.424 nan 8.280 nan 0.000 0.534 271 V N 6.908 127.015 119.914 0.320 0.000 2.459 271 V HA 0.224 4.343 4.120 -0.000 0.000 0.295 271 V C 0.073 176.225 176.094 0.097 0.000 1.029 271 V CA -0.696 61.681 62.300 0.128 0.000 0.874 271 V CB 1.564 33.450 31.823 0.106 0.000 0.985 271 V HN 0.761 nan 8.190 nan 0.000 0.438 272 R N 3.644 124.104 120.500 -0.066 0.000 2.202 272 R HA 0.501 4.841 4.340 -0.000 0.000 0.334 272 R C -0.950 175.337 176.300 -0.023 0.000 1.036 272 R CA -0.455 55.614 56.100 -0.053 0.000 0.878 272 R CB 1.210 31.430 30.300 -0.133 0.000 1.067 272 R HN 0.580 nan 8.270 nan 0.000 0.457 273 V N 4.795 124.710 119.914 0.003 0.000 2.421 273 V HA 0.168 4.287 4.120 -0.000 0.000 0.271 273 V C 0.696 176.768 176.094 -0.037 0.000 1.031 273 V CA -0.352 61.928 62.300 -0.033 0.000 1.032 273 V CB 0.601 32.391 31.823 -0.056 0.000 1.009 273 V HN 0.869 nan 8.190 nan 0.000 0.477 274 A N 4.177 126.970 122.820 -0.045 0.000 2.340 274 A HA 0.347 4.667 4.320 -0.000 0.000 0.268 274 A C 1.325 178.892 177.584 -0.028 0.000 1.100 274 A CA -0.361 51.654 52.037 -0.036 0.000 0.803 274 A CB 0.246 19.224 19.000 -0.038 0.000 1.043 274 A HN 0.915 nan 8.150 nan 0.000 0.488 275 D N 1.774 122.161 120.400 -0.021 0.000 2.221 275 D HA -0.229 4.411 4.640 -0.000 0.000 0.204 275 D C 0.739 177.040 176.300 0.002 0.000 0.982 275 D CA 1.469 55.460 54.000 -0.015 0.000 0.857 275 D CB -0.277 40.514 40.800 -0.016 0.000 0.934 275 D HN 0.732 nan 8.370 nan 0.000 0.475 276 D N -0.236 120.172 120.400 0.013 0.000 2.355 276 D HA 0.033 4.673 4.640 -0.000 0.000 0.218 276 D C 1.671 178.044 176.300 0.121 0.000 1.004 276 D CA 1.077 55.115 54.000 0.063 0.000 0.880 276 D CB 0.058 40.889 40.800 0.052 0.000 0.911 276 D HN 0.412 nan 8.370 nan 0.000 0.528 277 G N 0.325 109.142 108.800 0.028 0.000 2.211 277 G HA2 -0.226 3.734 3.960 -0.000 0.000 0.201 277 G HA3 -0.226 3.734 3.960 -0.000 0.000 0.201 277 G C 0.016 174.861 174.900 -0.091 0.000 0.997 277 G CA 0.131 45.215 45.100 -0.027 0.000 0.652 277 G HN 0.484 nan 8.290 nan 0.000 0.500 278 D N 0.120 120.477 120.400 -0.072 0.000 2.414 278 D HA 0.626 5.266 4.640 -0.000 0.000 0.251 278 D C 0.472 176.715 176.300 -0.095 0.000 1.252 278 D CA 0.077 54.019 54.000 -0.097 0.000 0.999 278 D CB 0.558 41.318 40.800 -0.066 0.000 1.093 278 D HN 0.275 nan 8.370 nan 0.000 0.515 279 L N 1.021 122.186 121.223 -0.098 0.000 2.439 279 L HA 0.337 4.677 4.340 -0.000 0.000 0.270 279 L C -0.271 176.563 176.870 -0.060 0.000 0.972 279 L CA -0.698 54.094 54.840 -0.080 0.000 0.836 279 L CB 1.752 43.753 42.059 -0.097 0.000 1.255 279 L HN 0.344 nan 8.230 nan 0.000 0.404 280 E N 1.767 121.936 120.200 -0.052 0.000 2.199 280 E HA 0.401 4.750 4.350 -0.000 0.000 0.269 280 E C -1.158 175.416 176.600 -0.042 0.000 0.899 280 E CA -0.727 55.646 56.400 -0.046 0.000 0.772 280 E CB 2.035 31.703 29.700 -0.053 0.000 1.155 280 E HN 0.353 nan 8.360 nan 0.000 0.408 281 T N 3.489 118.038 114.554 -0.008 0.000 2.743 281 T HA 0.091 4.441 4.350 -0.000 0.000 0.290 281 T C 1.426 176.125 174.700 -0.002 0.000 0.908 281 T CA -0.383 61.738 62.100 0.034 0.000 1.092 281 T CB 0.697 69.624 68.868 0.098 0.000 0.882 281 T HN 0.396 nan 8.240 nan 0.000 0.531 282 V N 3.009 122.866 119.914 -0.095 0.000 2.233 282 V HA 0.158 4.278 4.120 -0.000 0.000 0.247 282 V C 1.584 177.656 176.094 -0.036 0.000 1.050 282 V CA 1.868 64.072 62.300 -0.160 0.000 1.010 282 V CB -1.177 30.365 31.823 -0.469 0.000 0.637 282 V HN 1.084 nan 8.190 nan 0.000 0.444 283 G N -1.450 107.364 108.800 0.024 0.000 2.317 283 G HA2 0.306 4.265 3.960 -0.000 0.000 0.293 283 G HA3 0.306 4.265 3.960 -0.000 0.000 0.293 283 G C -1.215 173.577 174.900 -0.179 0.000 1.287 283 G CA -0.843 44.258 45.100 0.001 0.000 0.850 283 G HN 0.144 nan 8.290 nan 0.000 0.515 284 R N -0.127 120.107 120.500 -0.443 0.000 2.351 284 R HA 0.332 4.672 4.340 -0.000 0.000 0.318 284 R C -1.133 175.057 176.300 -0.183 0.000 1.055 284 R CA -0.366 55.319 56.100 -0.692 0.000 0.968 284 R CB 0.090 30.043 30.300 -0.578 0.000 0.974 284 R HN 0.464 nan 8.270 nan 0.000 0.439 285 Y N 4.320 124.479 120.300 -0.235 0.000 2.404 285 Y HA 0.135 4.685 4.550 -0.000 0.000 0.344 285 Y C -0.692 175.163 175.900 -0.075 0.000 0.970 285 Y CA -1.428 56.579 58.100 -0.155 0.000 1.180 285 Y CB 0.576 38.907 38.460 -0.216 0.000 1.138 285 Y HN 0.615 nan 8.280 nan 0.000 0.510 286 D N 3.188 123.315 120.400 -0.455 0.000 2.193 286 D HA 0.190 4.830 4.640 -0.000 0.000 0.244 286 D C -1.102 174.726 176.300 -0.787 0.000 1.064 286 D CA -0.445 53.334 54.000 -0.368 0.000 0.845 286 D CB 0.560 41.257 40.800 -0.173 0.000 1.148 286 D HN 0.203 nan 8.370 nan 0.000 0.464 287 F N 1.919 121.402 119.950 -0.778 0.000 2.604 287 F HA 0.123 4.650 4.527 -0.000 0.000 0.337 287 F C 0.388 175.947 175.800 -0.401 0.000 1.294 287 F CA -0.118 57.428 58.000 -0.756 0.000 1.066 287 F CB -1.087 37.540 39.000 -0.620 0.000 1.391 287 F HN 0.387 nan 8.300 nan 0.000 0.652 288 D N 2.289 122.508 120.400 -0.303 0.000 2.802 288 D HA -0.155 4.485 4.640 -0.000 0.000 0.229 288 D C 1.311 177.570 176.300 -0.067 0.000 1.203 288 D CA 1.556 55.493 54.000 -0.105 0.000 0.712 288 D CB -0.879 39.914 40.800 -0.011 0.000 0.973 288 D HN 0.890 nan 8.370 nan 0.000 0.407 289 G N -0.055 108.686 108.800 -0.098 0.000 2.377 289 G HA2 -0.488 3.472 3.960 -0.000 0.000 0.250 289 G HA3 -0.488 3.472 3.960 -0.000 0.000 0.250 289 G C 1.127 175.991 174.900 -0.060 0.000 1.039 289 G CA 0.828 45.887 45.100 -0.067 0.000 0.625 289 G HN 0.527 nan 8.290 nan 0.000 0.526 290 Q N -0.632 119.147 119.800 -0.035 0.000 2.046 290 Q HA 0.195 4.535 4.340 -0.000 0.000 0.200 290 Q C 1.360 177.306 176.000 -0.090 0.000 0.975 290 Q CA 1.068 56.850 55.803 -0.034 0.000 0.836 290 Q CB 0.078 28.856 28.738 0.067 0.000 0.896 290 Q HN 0.557 nan 8.270 nan 0.000 0.428 291 L N 0.732 121.925 121.223 -0.049 0.000 2.315 291 L HA 0.224 4.563 4.340 -0.000 0.000 0.283 291 L C 0.766 177.595 176.870 -0.069 0.000 1.089 291 L CA 0.388 55.174 54.840 -0.090 0.000 0.833 291 L CB 1.136 43.198 42.059 0.006 0.000 1.170 291 L HN 0.068 nan 8.230 nan 0.000 0.442 292 G N 3.872 112.619 108.800 -0.089 0.000 2.784 292 G HA2 0.108 4.068 3.960 -0.000 0.000 0.208 292 G HA3 0.108 4.068 3.960 -0.000 0.000 0.208 292 G C 0.328 175.218 174.900 -0.017 0.000 1.120 292 G CA 0.577 45.647 45.100 -0.050 0.000 0.774 292 G HN 0.768 nan 8.290 nan 0.000 0.528 293 C N -1.176 118.122 119.300 -0.004 0.000 2.710 293 C HA 0.907 5.367 4.460 -0.000 0.000 0.367 293 C C 0.612 175.631 174.990 0.048 0.000 1.315 293 C CA -1.108 57.925 59.018 0.025 0.000 1.764 293 C CB 1.199 28.964 27.740 0.041 0.000 2.182 293 C HN 0.460 nan 8.230 nan 0.000 0.491 294 A N 1.534 124.372 122.820 0.030 0.000 2.363 294 A HA 0.637 4.957 4.320 -0.000 0.000 0.270 294 A C -0.011 177.589 177.584 0.027 0.000 1.121 294 A CA -0.320 51.737 52.037 0.033 0.000 0.800 294 A CB -0.017 18.980 19.000 -0.005 0.000 1.052 294 A HN 1.133 nan 8.150 nan 0.000 0.493 295 M N 2.535 122.183 119.600 0.080 0.000 2.654 295 M HA 0.740 5.220 4.480 -0.000 0.000 0.310 295 M C -0.018 176.297 176.300 0.025 0.000 1.211 295 M CA -0.761 54.579 55.300 0.067 0.000 0.947 295 M CB 0.881 33.586 32.600 0.174 0.000 1.647 295 M HN 0.630 nan 8.290 nan 0.000 0.481 296 I N 0.075 120.643 120.570 -0.003 0.000 2.836 296 I HA 0.443 4.613 4.170 -0.000 0.000 0.285 296 I C 0.851 177.023 176.117 0.091 0.000 1.174 296 I CA -0.251 61.083 61.300 0.056 0.000 1.405 296 I CB 1.026 39.077 38.000 0.084 0.000 1.385 296 I HN 0.926 nan 8.210 nan 0.000 0.594 297 A N 3.349 126.223 122.820 0.090 0.000 2.238 297 A HA 0.053 4.372 4.320 -0.000 0.000 0.208 297 A C 0.872 178.377 177.584 -0.131 0.000 1.177 297 A CA 0.419 52.472 52.037 0.027 0.000 0.804 297 A CB -0.701 18.338 19.000 0.066 0.000 0.823 297 A HN 0.833 nan 8.150 nan 0.000 0.482 298 H N 0.654 119.727 119.070 0.005 0.000 2.351 298 H HA 0.212 4.768 4.556 -0.000 0.000 0.232 298 H C -2.700 172.737 175.328 0.182 0.000 1.452 298 H CA -1.657 54.407 56.048 0.027 0.000 1.236 298 H CB 0.199 29.908 29.762 -0.088 0.000 1.579 298 H HN 0.382 nan 8.280 nan 0.000 0.535 299 P HA 0.069 nan 4.420 nan 0.000 0.274 299 P C -0.074 177.379 177.300 0.254 0.000 1.231 299 P CA -0.423 62.876 63.100 0.332 0.000 0.790 299 P CB 1.591 33.425 31.700 0.223 0.000 0.951 300 K N 2.298 122.845 120.400 0.244 0.000 2.235 300 K HA 0.375 4.695 4.320 -0.000 0.000 0.266 300 K C -0.426 176.289 176.600 0.192 0.000 0.980 300 K CA -0.993 55.368 56.287 0.124 0.000 0.849 300 K CB 1.477 33.914 32.500 -0.105 0.000 1.098 300 K HN 0.386 nan 8.250 nan 0.000 0.445 301 L N 3.402 124.731 121.223 0.177 0.000 2.255 301 L HA 0.191 4.531 4.340 -0.000 0.000 0.289 301 L C -0.034 176.965 176.870 0.215 0.000 1.046 301 L CA -0.135 54.826 54.840 0.203 0.000 0.816 301 L CB 0.593 42.788 42.059 0.228 0.000 1.197 301 L HN 0.486 nan 8.230 nan 0.000 0.427 302 D N 7.250 127.803 120.400 0.255 0.000 2.450 302 D HA 0.061 4.701 4.640 -0.000 0.000 0.247 302 D C -1.730 174.677 176.300 0.178 0.000 1.162 302 D CA -1.162 52.962 54.000 0.207 0.000 0.879 302 D CB 1.768 42.717 40.800 0.249 0.000 1.163 302 D HN 0.434 nan 8.370 nan 0.000 0.472 303 P HA -0.115 nan 4.420 nan 0.000 0.216 303 P C 0.943 178.317 177.300 0.124 0.000 1.153 303 P CA 0.995 64.178 63.100 0.138 0.000 0.848 303 P CB 0.214 31.985 31.700 0.117 0.000 0.787 304 A N 0.494 123.377 122.820 0.105 0.000 1.840 304 A HA -0.109 4.211 4.320 -0.000 0.000 0.214 304 A C 2.334 179.984 177.584 0.109 0.000 1.198 304 A CA 2.730 54.823 52.037 0.092 0.000 0.608 304 A CB -1.851 17.190 19.000 0.068 0.000 0.839 304 A HN 0.366 nan 8.150 nan 0.000 0.443 305 T N -4.216 110.415 114.554 0.128 0.000 3.067 305 T HA 0.350 4.700 4.350 -0.000 0.000 0.261 305 T C 1.556 176.358 174.700 0.169 0.000 1.110 305 T CA 1.221 63.407 62.100 0.144 0.000 1.113 305 T CB -0.158 68.804 68.868 0.157 0.000 0.917 305 T HN 1.763 nan 8.240 nan 0.000 0.499 306 G N 1.391 110.305 108.800 0.190 0.000 2.189 306 G HA2 -0.270 3.690 3.960 -0.000 0.000 0.267 306 G HA3 -0.270 3.690 3.960 -0.000 0.000 0.267 306 G C -0.171 174.928 174.900 0.331 0.000 0.975 306 G CA 0.313 45.555 45.100 0.237 0.000 0.644 306 G HN 0.683 nan 8.290 nan 0.000 0.537 307 E N -0.504 119.842 120.200 0.244 0.000 2.373 307 E HA 0.455 4.804 4.350 -0.000 0.000 0.267 307 E C -0.108 176.491 176.600 -0.001 0.000 1.032 307 E CA -0.591 55.899 56.400 0.150 0.000 0.889 307 E CB 1.387 31.041 29.700 -0.076 0.000 0.984 307 E HN 0.232 nan 8.360 nan 0.000 0.425 308 L N 4.596 125.754 121.223 -0.107 0.000 2.265 308 L HA 0.183 4.523 4.340 -0.000 0.000 0.289 308 L C -0.942 175.844 176.870 -0.140 0.000 1.033 308 L CA -0.334 54.366 54.840 -0.232 0.000 0.814 308 L CB 0.515 42.100 42.059 -0.790 0.000 1.203 308 L HN 0.484 nan 8.230 nan 0.000 0.423 309 H N 4.805 123.989 119.070 0.189 0.000 2.517 309 H HA 0.732 5.288 4.556 -0.000 0.000 0.317 309 H C -0.529 175.025 175.328 0.377 0.000 1.080 309 H CA -0.320 55.918 56.048 0.317 0.000 1.301 309 H CB 1.630 31.617 29.762 0.375 0.000 1.425 309 H HN 0.785 nan 8.280 nan 0.000 0.471 310 A N 3.970 126.918 122.820 0.213 0.000 2.423 310 A HA 0.709 5.029 4.320 -0.000 0.000 0.304 310 A C -0.927 176.299 177.584 -0.597 0.000 1.104 310 A CA -0.718 51.244 52.037 -0.125 0.000 0.757 310 A CB 1.570 20.473 19.000 -0.162 0.000 1.313 310 A HN 0.599 nan 8.150 nan 0.000 0.423 311 L N 0.831 121.651 121.223 -0.673 0.000 2.370 311 L HA 0.743 5.082 4.340 -0.000 0.000 0.266 311 L C 0.040 176.650 176.870 -0.433 0.000 1.002 311 L CA -0.623 53.828 54.840 -0.648 0.000 0.818 311 L CB 2.285 43.944 42.059 -0.667 0.000 1.325 311 L HN 0.746 nan 8.230 nan 0.000 0.418 312 S N 1.559 117.072 115.700 -0.312 0.000 2.538 312 S HA 0.672 5.142 4.470 -0.000 0.000 0.288 312 S C -1.303 173.320 174.600 0.039 0.000 1.108 312 S CA -0.544 57.597 58.200 -0.098 0.000 0.971 312 S CB 1.277 64.501 63.200 0.040 0.000 1.041 312 S HN 0.446 nan 8.310 nan 0.000 0.483 313 Y N 1.369 121.689 120.300 0.032 0.000 2.393 313 Y HA 0.768 5.317 4.550 -0.000 0.000 0.341 313 Y C -0.760 175.184 175.900 0.074 0.000 0.988 313 Y CA -1.154 56.992 58.100 0.076 0.000 1.078 313 Y CB 1.029 39.554 38.460 0.109 0.000 1.203 313 Y HN 0.657 nan 8.280 nan 0.000 0.453 314 D N 3.177 123.721 120.400 0.240 0.000 2.391 314 D HA 0.298 4.938 4.640 -0.000 0.000 0.245 314 D C 0.520 176.978 176.300 0.264 0.000 1.069 314 D CA -0.893 53.196 54.000 0.149 0.000 0.831 314 D CB 2.057 42.918 40.800 0.101 0.000 1.204 314 D HN 0.632 nan 8.370 nan 0.000 0.503 315 V N 2.138 122.126 119.914 0.123 0.000 3.380 315 V HA 0.095 4.215 4.120 -0.000 0.000 0.268 315 V C 1.122 177.301 176.094 0.141 0.000 1.168 315 V CA 0.871 63.198 62.300 0.044 0.000 1.156 315 V CB -1.013 30.616 31.823 -0.322 0.000 0.785 315 V HN 0.665 nan 8.190 nan 0.000 0.487 316 I N -1.809 118.870 120.570 0.182 0.000 3.341 316 I HA 0.277 4.447 4.170 -0.000 0.000 0.243 316 I C 1.226 177.475 176.117 0.221 0.000 1.094 316 I CA 0.080 61.487 61.300 0.178 0.000 1.507 316 I CB -0.107 37.944 38.000 0.084 0.000 1.441 316 I HN -0.034 nan 8.210 nan 0.000 0.465 317 K N 1.638 122.097 120.400 0.099 0.000 2.126 317 K HA 0.224 4.544 4.320 -0.000 0.000 0.257 317 K C 1.018 177.485 176.600 -0.221 0.000 1.007 317 K CA -0.250 56.028 56.287 -0.016 0.000 0.928 317 K CB 0.913 33.402 32.500 -0.018 0.000 1.013 317 K HN 0.043 nan 8.250 nan 0.000 0.473 318 R N 0.476 120.823 120.500 -0.257 0.000 2.224 318 R HA -0.202 4.138 4.340 -0.000 0.000 0.251 318 R C -1.209 174.719 176.300 -0.621 0.000 1.123 318 R CA 1.741 57.596 56.100 -0.408 0.000 0.944 318 R CB -2.014 28.171 30.300 -0.192 0.000 0.910 318 R HN 0.520 nan 8.270 nan 0.000 0.440 319 P HA 0.100 nan 4.420 nan 0.000 0.280 319 P C -0.428 176.769 177.300 -0.171 0.000 1.386 319 P CA 0.176 63.136 63.100 -0.233 0.000 0.899 319 P CB -0.306 31.346 31.700 -0.080 0.000 1.098 320 Y N 2.523 122.867 120.300 0.073 0.000 2.578 320 Y HA 0.224 4.774 4.550 -0.000 0.000 0.297 320 Y C 0.804 176.786 175.900 0.137 0.000 1.176 320 Y CA -0.177 57.983 58.100 0.102 0.000 1.315 320 Y CB 0.362 38.877 38.460 0.092 0.000 1.031 320 Y HN 0.196 nan 8.280 nan 0.000 0.524 321 L N 0.716 122.066 121.223 0.212 0.000 2.639 321 L HA 0.403 4.743 4.340 -0.000 0.000 0.264 321 L C -1.404 175.530 176.870 0.107 0.000 0.948 321 L CA -1.104 53.840 54.840 0.174 0.000 0.912 321 L CB 1.352 43.517 42.059 0.177 0.000 1.294 321 L HN -0.137 nan 8.230 nan 0.000 0.412 322 K N 3.743 124.182 120.400 0.066 0.000 2.156 322 K HA 0.583 4.903 4.320 -0.000 0.000 0.250 322 K C -1.720 174.846 176.600 -0.056 0.000 0.955 322 K CA -0.786 55.529 56.287 0.046 0.000 0.855 322 K CB 2.323 34.888 32.500 0.110 0.000 1.101 322 K HN 0.485 nan 8.250 nan 0.000 0.434 323 Y N 2.757 122.966 120.300 -0.152 0.000 2.409 323 Y HA 0.588 5.138 4.550 -0.000 0.000 0.343 323 Y C -1.544 174.271 175.900 -0.142 0.000 0.973 323 Y CA -1.199 56.738 58.100 -0.273 0.000 1.064 323 Y CB 0.948 39.330 38.460 -0.129 0.000 1.207 323 Y HN 0.597 nan 8.280 nan 0.000 0.452 324 F N 3.629 123.045 119.950 -0.890 0.000 2.741 324 F HA 0.730 5.257 4.527 -0.000 0.000 0.313 324 F C -2.035 173.304 175.800 -0.768 0.000 1.153 324 F CA -1.944 55.495 58.000 -0.936 0.000 0.931 324 F CB 0.757 39.363 39.000 -0.657 0.000 1.335 324 F HN 0.512 nan 8.300 nan 0.000 0.460 325 Y N -0.866 119.167 120.300 -0.445 0.000 2.677 325 Y HA 0.872 5.422 4.550 -0.000 0.000 0.334 325 Y C -2.302 173.183 175.900 -0.691 0.000 1.154 325 Y CA -2.536 55.291 58.100 -0.455 0.000 1.070 325 Y CB 1.574 39.834 38.460 -0.333 0.000 1.294 325 Y HN 0.533 nan 8.280 nan 0.000 0.475 326 F N 0.919 120.906 119.950 0.061 0.000 2.520 326 F HA 0.699 5.225 4.527 -0.000 0.000 0.322 326 F C 0.130 176.130 175.800 0.334 0.000 1.103 326 F CA -1.008 57.062 58.000 0.117 0.000 0.926 326 F CB 2.132 41.227 39.000 0.158 0.000 1.154 326 F HN 0.367 nan 8.300 nan 0.000 0.453 327 R N 2.564 123.361 120.500 0.495 0.000 2.583 327 R HA 0.291 4.631 4.340 -0.000 0.000 0.268 327 R C -1.722 174.834 176.300 0.426 0.000 1.101 327 R CA -1.454 54.895 56.100 0.415 0.000 1.180 327 R CB 0.080 30.543 30.300 0.272 0.000 1.128 327 R HN 0.280 nan 8.270 nan 0.000 0.568 328 P HA -0.144 nan 4.420 nan 0.000 0.220 328 P C -0.348 176.968 177.300 0.026 0.000 1.144 328 P CA 1.230 64.382 63.100 0.087 0.000 0.800 328 P CB 0.133 31.878 31.700 0.074 0.000 0.772 329 D N -1.594 118.865 120.400 0.099 0.000 2.363 329 D HA 0.090 4.730 4.640 -0.000 0.000 0.226 329 D C 1.617 177.974 176.300 0.096 0.000 1.020 329 D CA 0.942 54.984 54.000 0.071 0.000 0.892 329 D CB -1.019 39.828 40.800 0.078 0.000 0.900 329 D HN 0.149 nan 8.370 nan 0.000 0.531 330 G N 0.496 109.400 108.800 0.174 0.000 2.166 330 G HA2 -0.304 3.656 3.960 -0.000 0.000 0.260 330 G HA3 -0.304 3.656 3.960 -0.000 0.000 0.260 330 G C 0.367 175.465 174.900 0.330 0.000 0.986 330 G CA 0.683 45.946 45.100 0.272 0.000 0.683 330 G HN 0.382 nan 8.290 nan 0.000 0.527 331 T N 0.702 115.414 114.554 0.263 0.000 2.869 331 T HA 0.470 4.820 4.350 -0.000 0.000 0.295 331 T C 0.329 175.128 174.700 0.165 0.000 0.987 331 T CA -0.043 62.161 62.100 0.173 0.000 1.109 331 T CB 2.107 71.023 68.868 0.081 0.000 0.932 331 T HN 0.356 nan 8.240 nan 0.000 0.518 332 K N 2.546 122.968 120.400 0.036 0.000 2.156 332 K HA 0.334 4.653 4.320 -0.000 0.000 0.271 332 K C 0.572 176.915 176.600 -0.429 0.000 0.995 332 K CA -0.545 55.557 56.287 -0.310 0.000 0.890 332 K CB 0.928 33.223 32.500 -0.340 0.000 1.073 332 K HN 0.808 nan 8.250 nan 0.000 0.454 333 S N 2.714 117.996 115.700 -0.697 0.000 2.606 333 S HA 0.099 4.569 4.470 -0.000 0.000 0.257 333 S C -0.233 174.108 174.600 -0.432 0.000 1.327 333 S CA -0.587 57.221 58.200 -0.652 0.000 0.984 333 S CB 0.519 63.049 63.200 -1.117 0.000 0.941 333 S HN 0.527 nan 8.310 nan 0.000 0.576 334 D N 1.281 121.505 120.400 -0.292 0.000 2.382 334 D HA 0.275 4.915 4.640 -0.000 0.000 0.245 334 D C -0.521 175.685 176.300 -0.156 0.000 1.120 334 D CA -0.020 53.868 54.000 -0.188 0.000 0.890 334 D CB 0.171 40.904 40.800 -0.111 0.000 1.201 334 D HN 0.444 nan 8.370 nan 0.000 0.433 335 D N 0.375 120.711 120.400 -0.107 0.000 2.425 335 D HA 0.106 4.745 4.640 -0.000 0.000 0.247 335 D C -0.275 176.040 176.300 0.025 0.000 1.147 335 D CA -0.069 53.921 54.000 -0.017 0.000 0.879 335 D CB 0.888 41.696 40.800 0.014 0.000 1.179 335 D HN -0.052 nan 8.370 nan 0.000 0.456 336 V N 3.458 123.418 119.914 0.077 0.000 2.318 336 V HA 0.132 4.252 4.120 -0.000 0.000 0.271 336 V C 0.620 176.791 176.094 0.128 0.000 1.030 336 V CA -0.777 61.604 62.300 0.135 0.000 0.844 336 V CB 0.600 32.589 31.823 0.276 0.000 1.015 336 V HN 0.326 nan 8.190 nan 0.000 0.460 337 E N 5.084 125.337 120.200 0.088 0.000 2.338 337 E HA 0.416 4.766 4.350 -0.000 0.000 0.272 337 E C -0.776 175.883 176.600 0.098 0.000 1.029 337 E CA -0.182 56.265 56.400 0.079 0.000 0.872 337 E CB 1.643 31.372 29.700 0.047 0.000 1.015 337 E HN 0.579 nan 8.360 nan 0.000 0.417 338 I N 4.564 125.202 120.570 0.113 0.000 2.464 338 I HA 0.220 4.390 4.170 -0.000 0.000 0.277 338 I C -2.390 173.825 176.117 0.163 0.000 1.040 338 I CA -2.356 59.040 61.300 0.161 0.000 1.153 338 I CB 1.229 39.338 38.000 0.181 0.000 1.274 338 I HN 0.148 nan 8.210 nan 0.000 0.469 339 P HA 0.338 nan 4.420 nan 0.000 0.281 339 P C -0.780 176.595 177.300 0.125 0.000 1.252 339 P CA -0.064 63.096 63.100 0.100 0.000 0.778 339 P CB 0.789 32.526 31.700 0.061 0.000 0.895 340 L N 1.930 123.249 121.223 0.159 0.000 2.319 340 L HA 0.381 4.720 4.340 -0.000 0.000 0.267 340 L C 1.754 178.719 176.870 0.159 0.000 1.011 340 L CA -0.703 54.198 54.840 0.101 0.000 0.818 340 L CB 1.847 43.961 42.059 0.093 0.000 1.316 340 L HN 0.356 nan 8.230 nan 0.000 0.432 341 E N 0.451 120.661 120.200 0.017 0.000 2.106 341 E HA -0.138 4.212 4.350 -0.000 0.000 0.192 341 E C -0.088 176.530 176.600 0.030 0.000 0.984 341 E CA 1.145 57.560 56.400 0.024 0.000 0.806 341 E CB 0.428 30.093 29.700 -0.059 0.000 0.750 341 E HN 0.636 nan 8.360 nan 0.000 0.458 342 Q N -0.949 118.795 119.800 -0.093 0.000 2.553 342 Q HA 0.480 4.820 4.340 -0.000 0.000 0.293 342 Q C -2.804 172.883 176.000 -0.521 0.000 1.038 342 Q CA -2.529 53.086 55.803 -0.314 0.000 0.777 342 Q CB 1.649 30.263 28.738 -0.206 0.000 1.487 342 Q HN -0.218 nan 8.270 nan 0.000 0.426 343 P HA 0.133 nan 4.420 nan 0.000 0.274 343 P C -0.997 176.260 177.300 -0.072 0.000 1.291 343 P CA 0.126 62.955 63.100 -0.453 0.000 0.815 343 P CB 0.616 32.135 31.700 -0.301 0.000 0.897 344 T N 5.021 119.525 114.554 -0.083 0.000 2.767 344 T HA 0.300 4.650 4.350 -0.000 0.000 0.288 344 T C 0.326 174.852 174.700 -0.290 0.000 0.963 344 T CA -0.455 61.554 62.100 -0.151 0.000 1.019 344 T CB 0.331 69.115 68.868 -0.140 0.000 0.923 344 T HN 0.312 nan 8.240 nan 0.000 0.468 345 M N 5.043 124.431 119.600 -0.354 0.000 2.238 345 M HA 0.315 4.795 4.480 -0.000 0.000 0.350 345 M C -1.194 174.936 176.300 -0.283 0.000 1.321 345 M CA 0.478 55.541 55.300 -0.396 0.000 1.097 345 M CB -0.135 32.271 32.600 -0.323 0.000 1.713 345 M HN 0.582 nan 8.290 nan 0.000 0.455 346 I N 4.943 125.334 120.570 -0.298 0.000 2.542 346 I HA 0.071 4.241 4.170 -0.000 0.000 0.278 346 I C 0.159 176.363 176.117 0.146 0.000 1.069 346 I CA -0.494 60.779 61.300 -0.046 0.000 1.100 346 I CB 1.134 39.097 38.000 -0.062 0.000 1.204 346 I HN 0.790 nan 8.210 nan 0.000 0.470 347 H N 3.595 122.642 119.070 -0.039 0.000 2.428 347 H HA 0.093 4.649 4.556 -0.000 0.000 0.296 347 H C -0.009 175.276 175.328 -0.072 0.000 1.062 347 H CA 1.515 57.486 56.048 -0.128 0.000 1.350 347 H CB 0.410 29.716 29.762 -0.760 0.000 1.403 347 H HN 0.554 nan 8.280 nan 0.000 0.533 348 D N -1.752 118.502 120.400 -0.243 0.000 2.609 348 D HA 0.240 4.879 4.640 -0.000 0.000 0.239 348 D C -1.040 175.299 176.300 0.065 0.000 1.229 348 D CA -0.451 53.416 54.000 -0.222 0.000 0.808 348 D CB 1.190 41.669 40.800 -0.535 0.000 1.448 348 D HN 0.094 nan 8.370 nan 0.000 0.433 349 F N 0.163 120.031 119.950 -0.137 0.000 3.049 349 F HA 0.959 5.485 4.527 -0.000 0.000 0.329 349 F C -1.650 174.111 175.800 -0.065 0.000 1.208 349 F CA -0.964 56.979 58.000 -0.095 0.000 0.956 349 F CB 0.572 39.531 39.000 -0.069 0.000 1.469 349 F HN 0.438 nan 8.300 nan 0.000 0.516 350 A N 0.437 122.966 122.820 -0.485 0.000 2.569 350 A HA 0.830 5.149 4.320 -0.000 0.000 0.290 350 A C -1.960 175.305 177.584 -0.532 0.000 1.136 350 A CA -0.756 50.975 52.037 -0.509 0.000 0.710 350 A CB 1.565 20.424 19.000 -0.234 0.000 1.303 350 A HN 1.012 nan 8.150 nan 0.000 0.413 351 I N 0.199 120.548 120.570 -0.369 0.000 2.828 351 I HA 0.679 4.849 4.170 -0.000 0.000 0.302 351 I C 0.265 176.273 176.117 -0.182 0.000 1.101 351 I CA -0.206 60.911 61.300 -0.304 0.000 1.031 351 I CB 2.616 40.448 38.000 -0.279 0.000 1.231 351 I HN 1.036 nan 8.210 nan 0.000 0.427 352 T N 0.244 114.695 114.554 -0.172 0.000 2.645 352 T HA 0.312 4.662 4.350 -0.000 0.000 0.273 352 T C 0.730 175.374 174.700 -0.094 0.000 0.960 352 T CA -0.440 61.605 62.100 -0.091 0.000 1.051 352 T CB 1.304 70.121 68.868 -0.085 0.000 1.366 352 T HN 0.705 nan 8.240 nan 0.000 0.536 353 E N 0.474 120.644 120.200 -0.051 0.000 2.077 353 E HA -0.155 4.195 4.350 -0.000 0.000 0.193 353 E C 1.158 177.696 176.600 -0.103 0.000 0.989 353 E CA 1.642 58.009 56.400 -0.055 0.000 0.800 353 E CB -0.046 29.637 29.700 -0.028 0.000 0.746 353 E HN 0.575 nan 8.360 nan 0.000 0.452 354 N N -0.845 117.783 118.700 -0.121 0.000 2.159 354 N HA 0.185 4.924 4.740 -0.000 0.000 0.217 354 N C -0.909 174.490 175.510 -0.185 0.000 1.223 354 N CA 0.076 53.033 53.050 -0.155 0.000 0.896 354 N CB 1.556 39.974 38.487 -0.116 0.000 1.064 354 N HN 0.020 nan 8.380 nan 0.000 0.518 355 L N 0.135 121.242 121.223 -0.193 0.000 2.465 355 L HA 0.436 4.775 4.340 -0.000 0.000 0.257 355 L C -0.388 176.333 176.870 -0.248 0.000 0.988 355 L CA -0.769 53.944 54.840 -0.211 0.000 0.827 355 L CB 2.454 44.409 42.059 -0.173 0.000 1.397 355 L HN -0.338 nan 8.230 nan 0.000 0.410 356 V N 1.735 121.479 119.914 -0.284 0.000 2.644 356 V HA 0.517 4.637 4.120 -0.000 0.000 0.295 356 V C -0.491 175.497 176.094 -0.177 0.000 1.053 356 V CA -0.601 61.553 62.300 -0.244 0.000 0.987 356 V CB 1.947 33.566 31.823 -0.339 0.000 1.006 356 V HN 0.440 nan 8.190 nan 0.000 0.472 357 V N 5.175 125.036 119.914 -0.089 0.000 2.349 357 V HA 0.333 4.452 4.120 -0.000 0.000 0.284 357 V C -0.252 175.901 176.094 0.098 0.000 1.014 357 V CA -0.488 61.784 62.300 -0.046 0.000 0.826 357 V CB 1.641 33.411 31.823 -0.089 0.000 1.009 357 V HN 0.585 nan 8.190 nan 0.000 0.431 358 V N 8.194 128.128 119.914 0.033 0.000 2.383 358 V HA 0.385 4.505 4.120 -0.000 0.000 0.275 358 V C -2.145 173.960 176.094 0.018 0.000 1.036 358 V CA -1.825 60.504 62.300 0.048 0.000 0.889 358 V CB 1.908 33.696 31.823 -0.059 0.000 0.985 358 V HN 0.697 nan 8.190 nan 0.000 0.459 359 P HA 0.238 nan 4.420 nan 0.000 0.283 359 P C -0.920 175.964 177.300 -0.694 0.000 1.412 359 P CA -0.305 62.400 63.100 -0.659 0.000 0.912 359 P CB 0.755 32.022 31.700 -0.720 0.000 1.132 360 D N 3.652 123.785 120.400 -0.444 0.000 2.393 360 D HA 0.135 4.775 4.640 -0.000 0.000 0.232 360 D C -0.198 175.978 176.300 -0.207 0.000 1.192 360 D CA 0.104 53.952 54.000 -0.254 0.000 0.882 360 D CB 0.039 40.770 40.800 -0.115 0.000 1.038 360 D HN 0.292 nan 8.370 nan 0.000 0.499 361 H N 1.485 120.473 119.070 -0.137 0.000 2.748 361 H HA 0.282 4.838 4.556 -0.000 0.000 0.315 361 H C 0.738 176.051 175.328 -0.024 0.000 1.429 361 H CA -0.577 55.439 56.048 -0.053 0.000 1.444 361 H CB 0.739 30.547 29.762 0.077 0.000 1.827 361 H HN 0.353 nan 8.280 nan 0.000 0.754 362 Q N -0.179 119.713 119.800 0.153 0.000 2.378 362 Q HA 0.110 4.450 4.340 -0.000 0.000 0.205 362 Q C 0.018 175.947 176.000 -0.119 0.000 0.954 362 Q CA 0.218 56.006 55.803 -0.026 0.000 0.901 362 Q CB 0.528 29.226 28.738 -0.067 0.000 0.981 362 Q HN 0.149 nan 8.270 nan 0.000 0.483 363 V N 1.264 121.105 119.914 -0.122 0.000 2.470 363 V HA 0.121 4.241 4.120 -0.000 0.000 0.276 363 V C -0.080 175.836 176.094 -0.298 0.000 1.040 363 V CA 0.144 62.281 62.300 -0.272 0.000 1.008 363 V CB 1.077 32.697 31.823 -0.337 0.000 0.990 363 V HN -0.080 nan 8.190 nan 0.000 0.477 364 V N 5.447 125.119 119.914 -0.405 0.000 3.049 364 V HA 0.494 4.614 4.120 -0.000 0.000 0.309 364 V C -0.937 174.847 176.094 -0.517 0.000 1.148 364 V CA -0.811 61.245 62.300 -0.408 0.000 0.990 364 V CB 2.505 34.184 31.823 -0.240 0.000 1.039 364 V HN 0.650 nan 8.190 nan 0.000 0.430 365 F N 2.743 122.600 119.950 -0.156 0.000 2.390 365 F HA 0.477 5.004 4.527 -0.000 0.000 0.361 365 F C 0.696 176.416 175.800 -0.134 0.000 1.124 365 F CA -0.251 57.671 58.000 -0.129 0.000 1.149 365 F CB 0.804 39.752 39.000 -0.086 0.000 1.160 365 F HN 0.183 nan 8.300 nan 0.000 0.501 366 K N 5.286 125.701 120.400 0.025 0.000 2.484 366 K HA 0.304 4.624 4.320 -0.000 0.000 0.226 366 K C 0.704 177.311 176.600 0.011 0.000 1.031 366 K CA -0.170 56.111 56.287 -0.010 0.000 1.026 366 K CB 0.792 33.254 32.500 -0.063 0.000 1.412 366 K HN 0.716 nan 8.250 nan 0.000 0.492 367 L N 1.315 122.562 121.223 0.041 0.000 2.191 367 L HA -0.248 4.092 4.340 -0.000 0.000 0.212 367 L C 2.610 179.489 176.870 0.016 0.000 1.103 367 L CA 1.213 56.076 54.840 0.038 0.000 0.769 367 L CB -0.357 41.726 42.059 0.039 0.000 0.908 367 L HN 0.703 nan 8.230 nan 0.000 0.438 368 Q N 0.587 120.390 119.800 0.005 0.000 2.103 368 Q HA -0.314 4.026 4.340 -0.000 0.000 0.213 368 Q C 1.965 177.960 176.000 -0.008 0.000 1.008 368 Q CA 2.193 57.995 55.803 -0.002 0.000 0.879 368 Q CB -0.049 28.682 28.738 -0.012 0.000 0.946 368 Q HN 0.430 nan 8.270 nan 0.000 0.413 369 E N 0.047 120.233 120.200 -0.023 0.000 2.233 369 E HA -0.230 4.119 4.350 -0.000 0.000 0.199 369 E C 1.715 178.304 176.600 -0.018 0.000 1.004 369 E CA 1.347 57.726 56.400 -0.036 0.000 0.819 369 E CB -0.294 29.367 29.700 -0.065 0.000 0.738 369 E HN 0.528 nan 8.360 nan 0.000 0.478 370 M N -0.353 119.247 119.600 -0.000 0.000 2.447 370 M HA -0.006 4.474 4.480 -0.000 0.000 0.264 370 M C 1.798 178.117 176.300 0.031 0.000 1.095 370 M CA 0.466 55.778 55.300 0.020 0.000 1.125 370 M CB 0.184 32.806 32.600 0.035 0.000 1.389 370 M HN 0.028 nan 8.290 nan 0.000 0.459 371 L N -0.496 120.741 121.223 0.024 0.000 2.217 371 L HA -0.062 4.278 4.340 -0.000 0.000 0.211 371 L C 1.268 178.153 176.870 0.026 0.000 1.107 371 L CA 0.569 55.426 54.840 0.028 0.000 0.783 371 L CB -0.468 41.604 42.059 0.021 0.000 0.919 371 L HN 0.184 nan 8.230 nan 0.000 0.442 372 R N -0.500 120.008 120.500 0.014 0.000 2.541 372 R HA 0.263 4.603 4.340 -0.000 0.000 0.254 372 R C 1.187 177.499 176.300 0.021 0.000 1.130 372 R CA 0.111 56.217 56.100 0.010 0.000 1.152 372 R CB 0.054 30.347 30.300 -0.011 0.000 1.222 372 R HN -0.022 nan 8.270 nan 0.000 0.579 373 G N -0.062 108.750 108.800 0.020 0.000 2.916 373 G HA2 -0.015 3.945 3.960 -0.000 0.000 0.205 373 G HA3 -0.015 3.945 3.960 -0.000 0.000 0.205 373 G C 0.459 175.386 174.900 0.044 0.000 1.163 373 G CA 0.196 45.329 45.100 0.055 0.000 0.821 373 G HN 0.570 nan 8.290 nan 0.000 0.515 374 G N -0.629 108.172 108.800 0.002 0.000 2.462 374 G HA2 0.426 4.386 3.960 -0.000 0.000 0.319 374 G HA3 0.426 4.386 3.960 -0.000 0.000 0.319 374 G C -0.092 174.783 174.900 -0.042 0.000 1.171 374 G CA -0.179 44.898 45.100 -0.037 0.000 0.920 374 G HN 0.197 nan 8.290 nan 0.000 0.499 375 S N 0.501 116.151 115.700 -0.083 0.000 2.549 375 S HA 0.302 4.771 4.470 -0.000 0.000 0.279 375 S C -0.900 173.587 174.600 -0.188 0.000 1.321 375 S CA -1.113 57.001 58.200 -0.143 0.000 1.054 375 S CB 1.277 64.377 63.200 -0.166 0.000 0.899 375 S HN 0.387 nan 8.310 nan 0.000 0.497 376 P HA 0.107 nan 4.420 nan 0.000 0.245 376 P C -0.335 176.876 177.300 -0.148 0.000 1.206 376 P CA 0.227 63.249 63.100 -0.130 0.000 0.781 376 P CB 0.037 31.714 31.700 -0.039 0.000 0.994 377 V N 1.676 121.400 119.914 -0.317 0.000 2.311 377 V HA 0.213 4.332 4.120 -0.000 0.000 0.275 377 V C 0.291 176.193 176.094 -0.320 0.000 1.022 377 V CA -0.581 61.496 62.300 -0.372 0.000 0.830 377 V CB 1.639 33.244 31.823 -0.364 0.000 1.012 377 V HN -0.212 nan 8.190 nan 0.000 0.452 378 V N 5.654 125.381 119.914 -0.313 0.000 2.815 378 V HA 0.530 4.650 4.120 -0.000 0.000 0.314 378 V C -0.323 175.604 176.094 -0.278 0.000 1.064 378 V CA -0.885 61.259 62.300 -0.260 0.000 0.952 378 V CB 2.286 33.981 31.823 -0.212 0.000 1.020 378 V HN 0.710 nan 8.190 nan 0.000 0.439 379 L N 2.459 123.531 121.223 -0.251 0.000 2.262 379 L HA 0.547 4.887 4.340 -0.000 0.000 0.288 379 L C -0.331 176.426 176.870 -0.190 0.000 1.035 379 L CA -0.071 54.622 54.840 -0.245 0.000 0.820 379 L CB 0.973 42.876 42.059 -0.260 0.000 1.204 379 L HN 0.675 nan 8.230 nan 0.000 0.424 380 D N 4.200 124.498 120.400 -0.171 0.000 2.468 380 D HA 0.262 4.902 4.640 -0.000 0.000 0.218 380 D C 1.030 177.262 176.300 -0.114 0.000 1.155 380 D CA 0.422 54.340 54.000 -0.137 0.000 0.924 380 D CB 1.673 42.394 40.800 -0.131 0.000 1.029 380 D HN 0.706 nan 8.370 nan 0.000 0.515 381 A N 3.846 126.602 122.820 -0.107 0.000 1.917 381 A HA -0.162 4.158 4.320 -0.000 0.000 0.219 381 A C 2.153 179.691 177.584 -0.076 0.000 1.182 381 A CA 1.976 53.959 52.037 -0.090 0.000 0.633 381 A CB -0.512 18.439 19.000 -0.082 0.000 0.819 381 A HN 0.598 nan 8.150 nan 0.000 0.448 382 A N -0.495 122.280 122.820 -0.075 0.000 1.908 382 A HA -0.086 4.234 4.320 -0.000 0.000 0.218 382 A C 1.548 179.091 177.584 -0.068 0.000 1.181 382 A CA 1.363 53.360 52.037 -0.066 0.000 0.627 382 A CB -0.390 18.571 19.000 -0.065 0.000 0.818 382 A HN 0.465 nan 8.150 nan 0.000 0.445 383 K N 1.006 121.359 120.400 -0.078 0.000 2.469 383 K HA 0.071 4.391 4.320 -0.000 0.000 0.274 383 K C -0.856 175.701 176.600 -0.072 0.000 0.983 383 K CA 0.558 56.795 56.287 -0.083 0.000 0.974 383 K CB 0.125 32.568 32.500 -0.095 0.000 0.913 383 K HN 0.275 nan 8.250 nan 0.000 0.493 384 T N 2.733 117.242 114.554 -0.074 0.000 2.733 384 T HA 0.111 4.461 4.350 -0.000 0.000 0.294 384 T C -0.264 174.406 174.700 -0.051 0.000 0.956 384 T CA -0.385 61.681 62.100 -0.056 0.000 0.987 384 T CB 1.117 69.955 68.868 -0.049 0.000 0.920 384 T HN 0.438 nan 8.240 nan 0.000 0.470 385 S N 4.072 119.755 115.700 -0.027 0.000 2.546 385 S HA 0.256 4.725 4.470 -0.000 0.000 0.290 385 S C 0.609 175.226 174.600 0.028 0.000 1.290 385 S CA -0.273 57.930 58.200 0.007 0.000 1.069 385 S CB 0.148 63.312 63.200 -0.061 0.000 0.846 385 S HN 0.726 nan 8.310 nan 0.000 0.495 386 R N 1.170 121.684 120.500 0.022 0.000 2.781 386 R HA 0.647 4.987 4.340 -0.000 0.000 0.269 386 R C -1.915 174.373 176.300 -0.020 0.000 1.025 386 R CA -0.942 55.215 56.100 0.095 0.000 0.914 386 R CB 0.909 31.300 30.300 0.152 0.000 1.236 386 R HN 0.405 nan 8.270 nan 0.000 0.465 387 F N 0.080 120.198 119.950 0.280 0.000 2.499 387 F HA 0.496 5.023 4.527 -0.000 0.000 0.333 387 F C 0.535 176.367 175.800 0.052 0.000 1.138 387 F CA -0.526 57.567 58.000 0.155 0.000 0.945 387 F CB 2.551 41.575 39.000 0.040 0.000 1.181 387 F HN 0.793 nan 8.300 nan 0.000 0.435 388 G N 2.274 111.003 108.800 -0.118 0.000 2.372 388 G HA2 0.528 4.488 3.960 -0.000 0.000 0.283 388 G HA3 0.528 4.488 3.960 -0.000 0.000 0.283 388 G C -1.164 173.473 174.900 -0.438 0.000 1.177 388 G CA -0.465 44.110 45.100 -0.876 0.000 0.842 388 G HN 0.440 nan 8.290 nan 0.000 0.503 389 V N 2.897 122.565 119.914 -0.409 0.000 2.409 389 V HA 0.532 4.652 4.120 -0.000 0.000 0.291 389 V C -0.379 175.531 176.094 -0.308 0.000 1.020 389 V CA -0.773 61.358 62.300 -0.281 0.000 0.848 389 V CB 1.158 32.866 31.823 -0.191 0.000 0.990 389 V HN 0.638 nan 8.190 nan 0.000 0.430 390 L N 8.177 129.224 121.223 -0.292 0.000 2.410 390 L HA 0.764 5.103 4.340 -0.000 0.000 0.270 390 L C -2.553 174.178 176.870 -0.232 0.000 0.983 390 L CA -1.827 52.849 54.840 -0.273 0.000 0.822 390 L CB 2.805 44.664 42.059 -0.334 0.000 1.285 390 L HN 0.390 nan 8.230 nan 0.000 0.409 391 P HA 0.080 nan 4.420 nan 0.000 0.268 391 P C -0.394 176.863 177.300 -0.072 0.000 1.205 391 P CA -0.072 62.965 63.100 -0.105 0.000 0.771 391 P CB 0.778 32.452 31.700 -0.044 0.000 0.858 392 K N 1.638 121.984 120.400 -0.089 0.000 2.057 392 K HA -0.132 4.187 4.320 -0.000 0.000 0.207 392 K C 0.605 177.463 176.600 0.429 0.000 1.049 392 K CA 1.370 57.686 56.287 0.049 0.000 0.931 392 K CB -0.287 32.127 32.500 -0.143 0.000 0.714 392 K HN 0.616 nan 8.250 nan 0.000 0.440 393 H N 0.035 119.204 119.070 0.165 0.000 2.638 393 H HA 0.321 4.876 4.556 -0.000 0.000 0.293 393 H C -0.294 175.140 175.328 0.175 0.000 1.316 393 H CA -0.905 55.282 56.048 0.231 0.000 1.099 393 H CB -0.685 29.178 29.762 0.169 0.000 1.515 393 H HN 0.144 nan 8.280 nan 0.000 0.505 394 A N 0.329 123.330 122.820 0.302 0.000 2.371 394 A HA 0.543 4.863 4.320 -0.000 0.000 0.257 394 A C 1.290 178.975 177.584 0.169 0.000 1.089 394 A CA 0.283 52.430 52.037 0.182 0.000 0.794 394 A CB 0.474 19.552 19.000 0.130 0.000 1.029 394 A HN 0.530 nan 8.150 nan 0.000 0.488 395 A N 1.364 124.250 122.820 0.109 0.000 2.014 395 A HA 0.389 4.709 4.320 -0.000 0.000 0.210 395 A C 0.079 177.704 177.584 0.068 0.000 1.188 395 A CA 1.118 53.204 52.037 0.081 0.000 0.731 395 A CB -0.051 18.984 19.000 0.060 0.000 0.858 395 A HN 0.800 nan 8.150 nan 0.000 0.464 396 D N -2.548 117.890 120.400 0.064 0.000 2.645 396 D HA 0.575 5.215 4.640 -0.000 0.000 0.228 396 D C 0.527 176.859 176.300 0.054 0.000 1.148 396 D CA -0.005 54.028 54.000 0.055 0.000 0.860 396 D CB 1.498 42.323 40.800 0.042 0.000 1.548 396 D HN 0.006 nan 8.370 nan 0.000 0.460 397 A N 0.710 123.566 122.820 0.059 0.000 2.032 397 A HA -0.191 4.129 4.320 -0.000 0.000 0.221 397 A C 1.892 179.504 177.584 0.048 0.000 1.165 397 A CA 2.056 54.130 52.037 0.061 0.000 0.645 397 A CB -1.018 18.034 19.000 0.088 0.000 0.807 397 A HN 0.605 nan 8.150 nan 0.000 0.453 398 S N -0.156 115.572 115.700 0.046 0.000 2.493 398 S HA -0.164 4.306 4.470 -0.000 0.000 0.243 398 S C 1.278 175.889 174.600 0.018 0.000 0.991 398 S CA 1.335 59.559 58.200 0.041 0.000 0.957 398 S CB -0.440 62.782 63.200 0.037 0.000 0.756 398 S HN 0.713 nan 8.310 nan 0.000 0.521 399 E N 0.011 120.212 120.200 0.003 0.000 2.442 399 E HA 0.163 4.513 4.350 -0.000 0.000 0.195 399 E C 0.453 177.008 176.600 -0.076 0.000 1.030 399 E CA -0.114 56.272 56.400 -0.022 0.000 0.869 399 E CB -0.045 29.650 29.700 -0.009 0.000 0.857 399 E HN 0.588 nan 8.360 nan 0.000 0.505 400 M N 1.030 120.566 119.600 -0.107 0.000 2.238 400 M HA 0.155 4.635 4.480 -0.000 0.000 0.347 400 M C -0.722 175.413 176.300 -0.275 0.000 1.173 400 M CA 0.056 55.200 55.300 -0.260 0.000 1.147 400 M CB 0.905 33.312 32.600 -0.323 0.000 1.547 400 M HN -0.140 nan 8.290 nan 0.000 0.455 401 A N 5.708 128.310 122.820 -0.363 0.000 2.431 401 A HA 0.499 4.819 4.320 -0.000 0.000 0.318 401 A C -1.760 175.687 177.584 -0.228 0.000 1.330 401 A CA -0.565 51.344 52.037 -0.214 0.000 0.804 401 A CB -0.121 18.802 19.000 -0.128 0.000 1.135 401 A HN 0.953 nan 8.150 nan 0.000 0.483 402 W N 2.245 123.549 121.300 0.007 0.000 2.311 402 W HA 0.466 5.126 4.660 -0.000 0.000 0.310 402 W C -0.241 176.294 176.519 0.027 0.000 1.274 402 W CA -0.236 57.118 57.345 0.017 0.000 1.215 402 W CB 1.407 30.872 29.460 0.008 0.000 1.227 402 W HN 0.380 nan 8.180 nan 0.000 0.523 403 V N 4.745 124.848 119.914 0.314 0.000 2.350 403 V HA 0.101 4.221 4.120 -0.000 0.000 0.285 403 V C -0.277 175.964 176.094 0.246 0.000 1.014 403 V CA -1.036 61.393 62.300 0.216 0.000 0.831 403 V CB 0.954 32.862 31.823 0.141 0.000 1.000 403 V HN 0.346 nan 8.190 nan 0.000 0.433 404 D N 3.438 123.940 120.400 0.169 0.000 2.458 404 D HA 0.262 4.902 4.640 -0.000 0.000 0.243 404 D C -0.125 176.260 176.300 0.142 0.000 1.146 404 D CA 0.456 54.534 54.000 0.129 0.000 0.877 404 D CB 1.515 42.356 40.800 0.070 0.000 1.176 404 D HN 0.314 nan 8.370 nan 0.000 0.461 405 V N 4.928 124.937 119.914 0.157 0.000 2.465 405 V HA 0.212 4.332 4.120 -0.000 0.000 0.263 405 V C -2.210 173.929 176.094 0.076 0.000 0.981 405 V CA -1.456 60.934 62.300 0.150 0.000 0.838 405 V CB 1.219 33.223 31.823 0.301 0.000 1.068 405 V HN 0.438 nan 8.190 nan 0.000 0.458 406 P HA 0.093 nan 4.420 nan 0.000 0.267 406 P C 0.017 177.311 177.300 -0.010 0.000 1.200 406 P CA 0.611 63.714 63.100 0.005 0.000 0.772 406 P CB 0.520 32.221 31.700 0.000 0.000 0.855 407 D N -1.322 119.059 120.400 -0.032 0.000 2.699 407 D HA -0.160 4.480 4.640 -0.000 0.000 0.239 407 D C -0.278 175.995 176.300 -0.045 0.000 1.136 407 D CA 0.782 54.758 54.000 -0.040 0.000 0.668 407 D CB -1.457 39.325 40.800 -0.029 0.000 1.060 407 D HN 0.465 nan 8.370 nan 0.000 0.429 408 C N 1.381 120.625 119.300 -0.093 0.000 2.431 408 C HA 0.738 5.198 4.460 -0.000 0.000 0.321 408 C C -0.959 173.813 174.990 -0.364 0.000 1.202 408 C CA -0.942 57.993 59.018 -0.138 0.000 1.398 408 C CB 0.901 28.601 27.740 -0.066 0.000 2.047 408 C HN 0.264 nan 8.230 nan 0.000 0.465 409 F N 6.298 126.034 119.950 -0.356 0.000 2.518 409 F HA 0.739 5.266 4.527 -0.000 0.000 0.323 409 F C -0.425 175.315 175.800 -0.100 0.000 1.129 409 F CA -0.504 57.278 58.000 -0.363 0.000 0.920 409 F CB 1.135 40.048 39.000 -0.144 0.000 1.160 409 F HN 0.803 nan 8.300 nan 0.000 0.440 410 c N 6.454 124.674 118.600 -0.633 0.000 2.441 410 c HA 0.335 4.905 4.570 -0.000 0.000 0.318 410 c C 1.019 174.772 174.090 -0.562 0.000 1.222 410 c CA -0.860 55.246 56.329 -0.372 0.000 1.474 410 c CB 0.478 42.917 42.510 -0.118 0.000 2.125 410 c HN 0.986 nan 8.230 nan 0.000 0.479 411 F N 1.123 120.807 119.950 -0.444 0.000 2.206 411 F HA 0.085 4.612 4.527 -0.000 0.000 0.298 411 F C 1.090 176.669 175.800 -0.368 0.000 1.090 411 F CA 1.405 59.230 58.000 -0.291 0.000 1.323 411 F CB -0.094 38.920 39.000 0.023 0.000 1.028 411 F HN 0.685 nan 8.300 nan 0.000 0.492 412 H N -0.965 117.997 119.070 -0.179 0.000 2.768 412 H HA 0.514 5.070 4.556 -0.000 0.000 0.371 412 H C -0.987 173.903 175.328 -0.730 0.000 1.151 412 H CA -0.742 55.015 56.048 -0.485 0.000 1.165 412 H CB 1.628 31.078 29.762 -0.521 0.000 1.722 412 H HN -0.224 nan 8.280 nan 0.000 0.543 413 L N 3.141 124.106 121.223 -0.430 0.000 2.313 413 L HA 0.148 4.488 4.340 -0.000 0.000 0.273 413 L C 0.316 177.057 176.870 -0.215 0.000 1.028 413 L CA -0.412 54.189 54.840 -0.399 0.000 0.871 413 L CB 0.554 42.498 42.059 -0.192 0.000 1.242 413 L HN 0.769 nan 8.230 nan 0.000 0.434 414 W N 1.507 122.838 121.300 0.052 0.000 2.301 414 W HA -0.226 4.434 4.660 -0.000 0.000 0.325 414 W C 1.214 177.750 176.519 0.028 0.000 1.250 414 W CA 0.647 58.021 57.345 0.049 0.000 1.261 414 W CB -0.223 29.277 29.460 0.068 0.000 1.157 414 W HN 0.505 nan 8.180 nan 0.000 0.473 415 N N -1.590 117.242 118.700 0.220 0.000 2.823 415 N HA 0.565 5.305 4.740 -0.000 0.000 0.251 415 N C -1.848 173.678 175.510 0.027 0.000 1.392 415 N CA -0.272 52.868 53.050 0.151 0.000 0.864 415 N CB 1.358 39.998 38.487 0.254 0.000 1.481 415 N HN 0.002 nan 8.380 nan 0.000 0.508 416 A N 0.620 123.447 122.820 0.012 0.000 2.572 416 A HA 0.838 5.158 4.320 -0.000 0.000 0.295 416 A C -1.824 175.763 177.584 0.005 0.000 1.072 416 A CA -0.741 51.186 52.037 -0.183 0.000 0.691 416 A CB 1.288 20.156 19.000 -0.221 0.000 1.291 416 A HN 0.569 nan 8.150 nan 0.000 0.404 417 W N -0.118 121.120 121.300 -0.104 0.000 3.074 417 W HA 0.572 5.231 4.660 -0.000 0.000 0.332 417 W C -1.061 175.401 176.519 -0.095 0.000 1.253 417 W CA -0.814 56.475 57.345 -0.094 0.000 1.180 417 W CB 0.558 29.971 29.460 -0.078 0.000 1.445 417 W HN 0.735 nan 8.180 nan 0.000 0.573 418 E N 1.634 121.960 120.200 0.210 0.000 2.089 418 E HA 0.091 4.441 4.350 -0.000 0.000 0.284 418 E C -0.761 175.942 176.600 0.170 0.000 1.023 418 E CA -0.321 56.136 56.400 0.094 0.000 0.819 418 E CB 0.913 30.633 29.700 0.032 0.000 1.076 418 E HN 0.175 nan 8.360 nan 0.000 0.396 419 D N 3.598 124.078 120.400 0.132 0.000 2.359 419 D HA -0.039 4.601 4.640 -0.000 0.000 0.250 419 D C 0.793 177.133 176.300 0.066 0.000 1.264 419 D CA 0.330 54.422 54.000 0.155 0.000 0.911 419 D CB 0.608 41.476 40.800 0.114 0.000 1.056 419 D HN 0.403 nan 8.370 nan 0.000 0.499 420 E N 2.859 123.094 120.200 0.059 0.000 2.072 420 E HA -0.189 4.160 4.350 -0.000 0.000 0.191 420 E C 1.659 178.268 176.600 0.016 0.000 0.985 420 E CA 0.784 57.199 56.400 0.024 0.000 0.801 420 E CB 0.082 29.791 29.700 0.015 0.000 0.750 420 E HN 0.648 nan 8.360 nan 0.000 0.452 421 A N 0.476 123.309 122.820 0.022 0.000 2.076 421 A HA -0.173 4.146 4.320 -0.000 0.000 0.220 421 A C 2.129 179.718 177.584 0.008 0.000 1.160 421 A CA 2.240 54.285 52.037 0.014 0.000 0.653 421 A CB -0.453 18.557 19.000 0.018 0.000 0.801 421 A HN 0.435 nan 8.150 nan 0.000 0.455 422 T N -6.548 108.010 114.554 0.008 0.000 2.958 422 T HA 0.433 4.783 4.350 -0.000 0.000 0.256 422 T C 1.460 176.152 174.700 -0.013 0.000 0.983 422 T CA 0.998 63.095 62.100 -0.005 0.000 0.924 422 T CB 0.271 69.132 68.868 -0.012 0.000 1.136 422 T HN 1.654 nan 8.240 nan 0.000 0.506 423 G N 1.632 110.425 108.800 -0.011 0.000 2.162 423 G HA2 -0.252 3.708 3.960 -0.000 0.000 0.260 423 G HA3 -0.252 3.708 3.960 -0.000 0.000 0.260 423 G C -0.171 174.707 174.900 -0.038 0.000 0.976 423 G CA 0.353 45.440 45.100 -0.021 0.000 0.655 423 G HN 0.677 nan 8.290 nan 0.000 0.533 424 E N -0.802 119.371 120.200 -0.045 0.000 2.345 424 E HA 0.522 4.872 4.350 -0.000 0.000 0.259 424 E C -0.013 176.523 176.600 -0.107 0.000 1.117 424 E CA -0.615 55.738 56.400 -0.078 0.000 0.913 424 E CB 1.749 31.395 29.700 -0.089 0.000 1.057 424 E HN 0.076 nan 8.360 nan 0.000 0.432 425 V N 2.496 122.316 119.914 -0.157 0.000 2.370 425 V HA 0.167 4.286 4.120 -0.000 0.000 0.283 425 V C -0.330 175.554 176.094 -0.349 0.000 1.023 425 V CA -0.635 61.534 62.300 -0.218 0.000 0.857 425 V CB 1.506 33.208 31.823 -0.202 0.000 0.985 425 V HN 0.356 nan 8.190 nan 0.000 0.443 426 V N 6.254 125.848 119.914 -0.534 0.000 2.407 426 V HA 0.456 4.576 4.120 -0.000 0.000 0.278 426 V C -0.102 175.498 176.094 -0.824 0.000 1.037 426 V CA -0.397 61.418 62.300 -0.807 0.000 0.900 426 V CB 1.738 32.689 31.823 -1.454 0.000 0.983 426 V HN 0.597 nan 8.190 nan 0.000 0.459 427 V N 6.673 126.216 119.914 -0.618 0.000 2.487 427 V HA 0.517 4.637 4.120 -0.000 0.000 0.298 427 V C -0.391 175.479 176.094 -0.374 0.000 1.028 427 V CA -0.448 61.554 62.300 -0.496 0.000 0.860 427 V CB 1.836 33.343 31.823 -0.526 0.000 0.991 427 V HN 0.692 nan 8.190 nan 0.000 0.427 428 I N 4.276 124.699 120.570 -0.244 0.000 2.355 428 I HA 0.786 4.956 4.170 -0.000 0.000 0.288 428 I C 0.704 176.769 176.117 -0.088 0.000 0.999 428 I CA 0.441 61.692 61.300 -0.082 0.000 1.163 428 I CB 1.583 39.629 38.000 0.076 0.000 1.316 428 I HN 0.789 nan 8.210 nan 0.000 0.454 429 G N 3.249 111.954 108.800 -0.157 0.000 2.870 429 G HA2 0.668 4.627 3.960 -0.000 0.000 0.299 429 G HA3 0.668 4.627 3.960 -0.000 0.000 0.299 429 G C -1.513 173.241 174.900 -0.244 0.000 1.324 429 G CA -0.510 44.316 45.100 -0.458 0.000 0.808 429 G HN 0.487 nan 8.290 nan 0.000 0.535 430 S N -1.482 114.041 115.700 -0.294 0.000 2.647 430 S HA 0.680 5.150 4.470 -0.000 0.000 0.300 430 S C -0.572 174.059 174.600 0.052 0.000 1.129 430 S CA -0.629 57.604 58.200 0.054 0.000 1.029 430 S CB 0.661 64.076 63.200 0.358 0.000 1.007 430 S HN 0.992 nan 8.310 nan 0.000 0.484 431 c N 4.439 123.086 118.600 0.078 0.000 2.913 431 c HA 0.827 5.397 4.570 -0.000 0.000 0.322 431 c C -0.369 173.779 174.090 0.098 0.000 1.292 431 c CA -1.067 55.304 56.329 0.070 0.000 1.649 431 c CB 1.597 44.121 42.510 0.023 0.000 2.139 431 c HN 0.968 nan 8.230 nan 0.000 0.475 432 M N 0.491 120.160 119.600 0.114 0.000 2.395 432 M HA 0.411 4.891 4.480 -0.000 0.000 0.307 432 M C -0.756 175.574 176.300 0.050 0.000 1.091 432 M CA -0.026 55.319 55.300 0.074 0.000 0.919 432 M CB 1.346 33.995 32.600 0.080 0.000 1.662 432 M HN 0.637 nan 8.290 nan 0.000 0.440 433 T N 4.381 118.940 114.554 0.009 0.000 3.151 433 T HA 0.451 4.800 4.350 -0.000 0.000 0.332 433 T C -2.331 172.352 174.700 -0.028 0.000 1.245 433 T CA -1.136 60.959 62.100 -0.009 0.000 1.019 433 T CB -0.146 68.715 68.868 -0.011 0.000 1.109 433 T HN 0.558 nan 8.240 nan 0.000 0.621 434 P HA 0.373 nan 4.420 nan 0.000 0.282 434 P C -0.008 177.253 177.300 -0.065 0.000 1.274 434 P CA -0.447 62.613 63.100 -0.067 0.000 0.770 434 P CB 1.295 32.934 31.700 -0.102 0.000 0.867 435 A N 2.533 125.317 122.820 -0.061 0.000 2.345 435 A HA 0.057 4.376 4.320 -0.000 0.000 0.225 435 A C 0.850 178.398 177.584 -0.060 0.000 1.243 435 A CA -0.087 51.918 52.037 -0.054 0.000 0.875 435 A CB -0.418 18.555 19.000 -0.044 0.000 0.929 435 A HN 0.501 nan 8.150 nan 0.000 0.502 436 D N 0.324 120.679 120.400 -0.075 0.000 2.390 436 D HA 0.188 4.828 4.640 -0.000 0.000 0.236 436 D C 0.437 176.692 176.300 -0.076 0.000 1.189 436 D CA 0.612 54.565 54.000 -0.078 0.000 0.887 436 D CB 0.931 41.666 40.800 -0.109 0.000 1.198 436 D HN 0.272 nan 8.370 nan 0.000 0.444 437 S N 0.919 116.586 115.700 -0.055 0.000 2.638 437 S HA 0.252 4.721 4.470 -0.000 0.000 0.256 437 S C 1.695 176.232 174.600 -0.106 0.000 1.089 437 S CA -0.590 57.575 58.200 -0.058 0.000 1.020 437 S CB 0.246 63.447 63.200 0.002 0.000 1.252 437 S HN 0.581 nan 8.310 nan 0.000 0.542 438 I N -0.979 119.497 120.570 -0.156 0.000 2.193 438 I HA 0.132 4.302 4.170 -0.000 0.000 0.240 438 I C 0.015 175.946 176.117 -0.309 0.000 1.084 438 I CA 1.095 62.214 61.300 -0.303 0.000 1.365 438 I CB -0.618 37.098 38.000 -0.472 0.000 1.064 438 I HN 0.193 nan 8.210 nan 0.000 0.410 439 F N 3.440 123.338 119.950 -0.088 0.000 2.504 439 F HA 0.059 4.586 4.527 -0.000 0.000 0.365 439 F C 1.596 177.334 175.800 -0.103 0.000 1.140 439 F CA 0.146 58.095 58.000 -0.085 0.000 1.077 439 F CB -0.679 38.280 39.000 -0.067 0.000 1.106 439 F HN 0.135 nan 8.300 nan 0.000 0.578 440 N N 2.228 120.925 118.700 -0.006 0.000 2.216 440 N HA -0.098 4.642 4.740 -0.000 0.000 0.183 440 N C -0.063 175.407 175.510 -0.065 0.000 1.017 440 N CA 1.106 54.106 53.050 -0.084 0.000 0.861 440 N CB 0.292 38.685 38.487 -0.156 0.000 0.986 440 N HN 0.609 nan 8.380 nan 0.000 0.428 441 E N -0.670 119.511 120.200 -0.032 0.000 2.432 441 E HA 0.192 4.542 4.350 -0.000 0.000 0.272 441 E C -1.167 175.435 176.600 0.002 0.000 0.937 441 E CA -0.071 56.312 56.400 -0.029 0.000 0.812 441 E CB 1.207 30.867 29.700 -0.066 0.000 1.377 441 E HN -0.072 nan 8.360 nan 0.000 0.399 442 S N 2.119 117.820 115.700 0.002 0.000 2.671 442 S HA 0.080 4.550 4.470 -0.000 0.000 0.231 442 S C -0.464 174.109 174.600 -0.045 0.000 0.882 442 S CA -0.223 57.965 58.200 -0.020 0.000 1.476 442 S CB 0.399 63.576 63.200 -0.038 0.000 1.257 442 S HN 0.456 nan 8.310 nan 0.000 0.633 443 D N 1.278 121.658 120.400 -0.033 0.000 2.668 443 D HA 0.492 5.132 4.640 -0.000 0.000 0.249 443 D C -0.390 175.888 176.300 -0.036 0.000 1.150 443 D CA -0.361 53.613 54.000 -0.043 0.000 1.090 443 D CB 0.918 41.695 40.800 -0.038 0.000 1.244 443 D HN 0.271 nan 8.370 nan 0.000 0.636 444 E N -0.121 120.052 120.200 -0.044 0.000 2.263 444 E HA 0.592 4.942 4.350 -0.000 0.000 0.264 444 E C -0.877 175.678 176.600 -0.074 0.000 0.923 444 E CA -0.733 55.637 56.400 -0.049 0.000 0.802 444 E CB 2.098 31.774 29.700 -0.039 0.000 1.228 444 E HN 0.223 nan 8.360 nan 0.000 0.417 445 R N 0.770 121.212 120.500 -0.097 0.000 2.779 445 R HA -0.167 4.173 4.340 -0.000 0.000 0.301 445 R C -1.513 174.674 176.300 -0.188 0.000 0.963 445 R CA -0.140 55.882 56.100 -0.131 0.000 0.683 445 R CB -1.020 29.226 30.300 -0.091 0.000 1.794 445 R HN 0.338 nan 8.270 nan 0.000 0.458 446 L N 2.504 123.541 121.223 -0.310 0.000 2.297 446 L HA 0.351 4.691 4.340 -0.000 0.000 0.277 446 L C 0.039 176.570 176.870 -0.565 0.000 1.040 446 L CA 0.049 54.648 54.840 -0.400 0.000 0.867 446 L CB 0.936 42.739 42.059 -0.427 0.000 1.244 446 L HN 0.167 nan 8.230 nan 0.000 0.433 447 E N 2.082 122.086 120.200 -0.327 0.000 2.283 447 E HA 0.411 4.761 4.350 -0.000 0.000 0.271 447 E C -0.871 175.631 176.600 -0.163 0.000 1.031 447 E CA -0.249 55.998 56.400 -0.255 0.000 0.868 447 E CB 1.896 31.521 29.700 -0.124 0.000 1.094 447 E HN 0.426 nan 8.360 nan 0.000 0.401 448 S N 1.736 117.396 115.700 -0.066 0.000 2.609 448 S HA 0.319 4.789 4.470 -0.000 0.000 0.250 448 S C -1.376 173.328 174.600 0.174 0.000 1.112 448 S CA -0.574 57.687 58.200 0.101 0.000 1.102 448 S CB 0.450 63.786 63.200 0.228 0.000 1.124 448 S HN 0.162 nan 8.310 nan 0.000 0.460 449 V N 5.284 125.284 119.914 0.143 0.000 2.417 449 V HA 0.504 4.624 4.120 -0.000 0.000 0.291 449 V C 0.023 176.213 176.094 0.160 0.000 1.024 449 V CA -0.883 61.497 62.300 0.133 0.000 0.861 449 V CB 1.541 33.411 31.823 0.078 0.000 0.985 449 V HN 0.819 nan 8.190 nan 0.000 0.436 450 L N 5.735 127.073 121.223 0.192 0.000 2.500 450 L HA 0.365 4.705 4.340 -0.000 0.000 0.272 450 L C 0.304 177.250 176.870 0.127 0.000 1.149 450 L CA 1.371 56.341 54.840 0.216 0.000 0.897 450 L CB 0.438 42.642 42.059 0.242 0.000 1.178 450 L HN 0.787 nan 8.230 nan 0.000 0.473 451 T N 5.049 119.656 114.554 0.089 0.000 2.887 451 T HA 0.321 4.671 4.350 -0.000 0.000 0.288 451 T C -0.772 173.922 174.700 -0.011 0.000 1.021 451 T CA -0.581 61.536 62.100 0.028 0.000 1.000 451 T CB 1.544 70.416 68.868 0.005 0.000 1.034 451 T HN 0.557 nan 8.240 nan 0.000 0.467 452 E N 2.779 122.957 120.200 -0.038 0.000 2.113 452 E HA 0.411 4.761 4.350 -0.000 0.000 0.273 452 E C -1.125 175.390 176.600 -0.142 0.000 0.924 452 E CA -0.455 55.886 56.400 -0.099 0.000 0.764 452 E CB 0.678 30.334 29.700 -0.073 0.000 1.104 452 E HN 0.514 nan 8.360 nan 0.000 0.406 453 I N 4.831 125.263 120.570 -0.230 0.000 2.362 453 I HA 0.343 4.513 4.170 -0.000 0.000 0.289 453 I C 0.135 176.056 176.117 -0.326 0.000 0.994 453 I CA -0.591 60.547 61.300 -0.271 0.000 1.158 453 I CB 1.412 39.169 38.000 -0.404 0.000 1.315 453 I HN 0.249 nan 8.210 nan 0.000 0.451 454 R N 6.917 127.271 120.500 -0.244 0.000 2.294 454 R HA 0.668 5.008 4.340 -0.000 0.000 0.319 454 R C -1.168 175.015 176.300 -0.196 0.000 0.984 454 R CA -0.745 55.212 56.100 -0.237 0.000 0.861 454 R CB 1.547 31.744 30.300 -0.171 0.000 1.104 454 R HN 0.506 nan 8.270 nan 0.000 0.451 455 L N 2.170 123.266 121.223 -0.211 0.000 2.329 455 L HA 0.356 4.696 4.340 -0.000 0.000 0.279 455 L C -0.352 176.453 176.870 -0.108 0.000 1.014 455 L CA -0.762 53.991 54.840 -0.145 0.000 0.814 455 L CB 1.764 43.722 42.059 -0.169 0.000 1.257 455 L HN 0.513 nan 8.230 nan 0.000 0.424 456 D N 1.926 122.286 120.400 -0.065 0.000 2.404 456 D HA 0.394 5.034 4.640 -0.000 0.000 0.267 456 D C 0.736 177.016 176.300 -0.034 0.000 1.194 456 D CA -0.339 53.630 54.000 -0.051 0.000 0.910 456 D CB 1.734 42.510 40.800 -0.041 0.000 1.090 456 D HN 0.560 nan 8.370 nan 0.000 0.511 457 A N 4.145 126.938 122.820 -0.044 0.000 1.896 457 A HA -0.305 4.015 4.320 -0.000 0.000 0.220 457 A C 2.023 179.596 177.584 -0.017 0.000 1.206 457 A CA 1.773 53.788 52.037 -0.036 0.000 0.647 457 A CB -0.328 18.635 19.000 -0.062 0.000 0.828 457 A HN 0.617 nan 8.150 nan 0.000 0.455 458 R N -0.856 119.632 120.500 -0.020 0.000 2.083 458 R HA -0.094 4.246 4.340 -0.000 0.000 0.237 458 R C 2.138 178.438 176.300 -0.000 0.000 1.137 458 R CA 1.995 58.089 56.100 -0.010 0.000 0.951 458 R CB -0.999 29.294 30.300 -0.013 0.000 0.851 458 R HN 0.594 nan 8.270 nan 0.000 0.434 459 T N -1.358 113.195 114.554 -0.002 0.000 3.014 459 T HA 0.147 4.496 4.350 -0.000 0.000 0.263 459 T C 1.593 176.301 174.700 0.013 0.000 1.078 459 T CA 0.809 62.911 62.100 0.004 0.000 1.135 459 T CB 0.147 69.014 68.868 -0.002 0.000 0.895 459 T HN 0.569 nan 8.240 nan 0.000 0.480 460 G N 2.619 111.430 108.800 0.017 0.000 2.205 460 G HA2 -0.326 3.634 3.960 -0.000 0.000 0.261 460 G HA3 -0.326 3.634 3.960 -0.000 0.000 0.261 460 G C 0.266 175.186 174.900 0.035 0.000 0.980 460 G CA 0.191 45.313 45.100 0.037 0.000 0.632 460 G HN 0.785 nan 8.290 nan 0.000 0.533 461 R N 0.316 120.826 120.500 0.017 0.000 2.459 461 R HA 0.716 5.056 4.340 -0.000 0.000 0.281 461 R C 0.467 176.769 176.300 0.003 0.000 1.050 461 R CA 0.126 56.233 56.100 0.012 0.000 1.055 461 R CB 1.356 31.658 30.300 0.003 0.000 1.045 461 R HN 0.613 nan 8.270 nan 0.000 0.495 462 S N 0.598 116.301 115.700 0.005 0.000 2.806 462 S HA 0.643 5.113 4.470 -0.000 0.000 0.315 462 S C -0.575 174.010 174.600 -0.026 0.000 1.127 462 S CA -0.740 57.452 58.200 -0.013 0.000 0.918 462 S CB 2.195 65.407 63.200 0.019 0.000 1.240 462 S HN 0.631 nan 8.310 nan 0.000 0.552 463 T N 0.524 115.048 114.554 -0.049 0.000 2.982 463 T HA 0.580 4.930 4.350 -0.000 0.000 0.321 463 T C -1.794 172.869 174.700 -0.062 0.000 1.229 463 T CA -0.568 61.502 62.100 -0.050 0.000 1.044 463 T CB 1.458 70.292 68.868 -0.057 0.000 1.184 463 T HN 0.696 nan 8.240 nan 0.000 0.477 464 R N 3.259 123.735 120.500 -0.040 0.000 2.539 464 R HA 0.473 4.813 4.340 -0.000 0.000 0.295 464 R C -0.947 175.338 176.300 -0.025 0.000 1.138 464 R CA -0.625 55.452 56.100 -0.037 0.000 0.936 464 R CB 0.867 31.159 30.300 -0.012 0.000 1.182 464 R HN 0.797 nan 8.270 nan 0.000 0.459 465 R N 2.073 122.555 120.500 -0.029 0.000 2.750 465 R HA 0.694 5.034 4.340 -0.000 0.000 0.281 465 R C -1.000 175.300 176.300 -0.001 0.000 0.972 465 R CA -0.847 55.245 56.100 -0.013 0.000 0.912 465 R CB 1.790 32.081 30.300 -0.014 0.000 1.187 465 R HN 0.387 nan 8.270 nan 0.000 0.464 466 A N 2.278 125.105 122.820 0.012 0.000 2.488 466 A HA 0.244 4.563 4.320 -0.000 0.000 0.249 466 A C 1.060 178.662 177.584 0.031 0.000 1.083 466 A CA -0.679 51.375 52.037 0.028 0.000 0.768 466 A CB 0.601 19.619 19.000 0.030 0.000 1.017 466 A HN 0.648 nan 8.150 nan 0.000 0.496 467 V N 3.285 123.227 119.914 0.046 0.000 2.358 467 V HA -0.130 3.990 4.120 -0.000 0.000 0.246 467 V C 1.035 177.157 176.094 0.046 0.000 1.047 467 V CA 1.330 63.660 62.300 0.049 0.000 1.035 467 V CB -0.886 30.979 31.823 0.071 0.000 0.658 467 V HN 0.654 nan 8.190 nan 0.000 0.452 468 L N 2.312 123.566 121.223 0.052 0.000 2.326 468 L HA 0.354 4.694 4.340 -0.000 0.000 0.278 468 L C -1.996 174.894 176.870 0.034 0.000 1.092 468 L CA -1.820 53.047 54.840 0.044 0.000 0.810 468 L CB 0.436 42.526 42.059 0.053 0.000 1.153 468 L HN 0.098 nan 8.230 nan 0.000 0.439 469 P HA 0.063 nan 4.420 nan 0.000 0.269 469 P C -2.186 175.128 177.300 0.022 0.000 1.217 469 P CA -1.241 61.872 63.100 0.021 0.000 0.783 469 P CB -0.064 31.647 31.700 0.018 0.000 0.898 470 P HA -0.050 nan 4.420 nan 0.000 0.239 470 P C 1.233 178.544 177.300 0.018 0.000 1.184 470 P CA 0.736 63.847 63.100 0.018 0.000 0.760 470 P CB 0.108 31.816 31.700 0.013 0.000 0.884 471 S N 1.123 116.833 115.700 0.017 0.000 2.331 471 S HA -0.108 4.362 4.470 -0.000 0.000 0.208 471 S C 1.036 175.648 174.600 0.020 0.000 1.032 471 S CA 1.078 59.287 58.200 0.016 0.000 0.991 471 S CB -0.667 62.541 63.200 0.013 0.000 0.980 471 S HN 0.319 nan 8.310 nan 0.000 0.433 472 Q N 1.931 121.743 119.800 0.021 0.000 2.938 472 Q HA 0.379 4.718 4.340 -0.000 0.000 0.343 472 Q C -0.454 175.567 176.000 0.036 0.000 1.185 472 Q CA -0.123 55.695 55.803 0.025 0.000 0.939 472 Q CB -0.474 28.275 28.738 0.019 0.000 1.480 472 Q HN 0.206 nan 8.270 nan 0.000 0.442 473 Q N 0.773 120.596 119.800 0.038 0.000 2.281 473 Q HA 0.364 4.704 4.340 -0.000 0.000 0.267 473 Q C -1.160 174.878 176.000 0.062 0.000 1.053 473 Q CA -0.125 55.707 55.803 0.050 0.000 0.905 473 Q CB 0.676 29.439 28.738 0.042 0.000 1.195 473 Q HN 0.316 nan 8.270 nan 0.000 0.398 474 V N 4.426 124.388 119.914 0.081 0.000 2.925 474 V HA 0.364 4.484 4.120 -0.000 0.000 0.311 474 V C -0.386 175.795 176.094 0.145 0.000 1.104 474 V CA -1.185 61.177 62.300 0.103 0.000 0.954 474 V CB 2.444 34.321 31.823 0.089 0.000 1.022 474 V HN 0.834 nan 8.190 nan 0.000 0.427 475 N N 3.192 122.009 118.700 0.195 0.000 2.452 475 N HA 0.283 5.023 4.740 -0.000 0.000 0.266 475 N C -1.109 174.574 175.510 0.288 0.000 1.209 475 N CA 0.279 53.501 53.050 0.287 0.000 0.929 475 N CB 0.640 39.408 38.487 0.468 0.000 1.063 475 N HN 0.456 nan 8.380 nan 0.000 0.472 476 L N 2.672 124.073 121.223 0.297 0.000 2.345 476 L HA 0.377 4.717 4.340 -0.000 0.000 0.274 476 L C 0.681 177.771 176.870 0.366 0.000 0.999 476 L CA -0.450 54.553 54.840 0.271 0.000 0.849 476 L CB 1.605 43.793 42.059 0.215 0.000 1.220 476 L HN 0.388 nan 8.230 nan 0.000 0.422 477 E N 1.377 121.772 120.200 0.325 0.000 3.552 477 E HA 0.335 4.685 4.350 -0.000 0.000 0.264 477 E C -0.310 176.466 176.600 0.294 0.000 1.170 477 E CA -0.851 55.790 56.400 0.402 0.000 1.313 477 E CB 0.962 30.834 29.700 0.287 0.000 1.522 477 E HN 0.375 nan 8.360 nan 0.000 0.653 478 V N -0.682 119.418 119.914 0.310 0.000 2.877 478 V HA 0.262 4.382 4.120 -0.000 0.000 0.294 478 V C 0.332 176.278 176.094 -0.247 0.000 1.280 478 V CA 0.826 63.198 62.300 0.120 0.000 1.372 478 V CB -0.787 31.150 31.823 0.190 0.000 0.867 478 V HN 0.737 nan 8.190 nan 0.000 0.513 479 G N 3.262 111.658 108.800 -0.675 0.000 2.494 479 G HA2 0.668 4.628 3.960 -0.000 0.000 0.308 479 G HA3 0.668 4.628 3.960 -0.000 0.000 0.308 479 G C -1.331 173.292 174.900 -0.461 0.000 1.263 479 G CA -0.500 44.245 45.100 -0.592 0.000 0.840 479 G HN 1.183 nan 8.290 nan 0.000 0.479 480 M N -0.297 119.147 119.600 -0.259 0.000 2.534 480 M HA 0.668 5.148 4.480 -0.000 0.000 0.280 480 M C -1.822 174.499 176.300 0.036 0.000 1.217 480 M CA -0.599 54.709 55.300 0.013 0.000 0.893 480 M CB 2.279 34.959 32.600 0.134 0.000 1.730 480 M HN 0.667 nan 8.290 nan 0.000 0.483 481 V N 2.273 122.235 119.914 0.081 0.000 3.019 481 V HA 0.482 4.601 4.120 -0.000 0.000 0.317 481 V C -0.383 175.716 176.094 0.008 0.000 1.094 481 V CA -0.842 61.462 62.300 0.006 0.000 1.000 481 V CB 2.173 34.025 31.823 0.048 0.000 1.060 481 V HN 0.921 nan 8.190 nan 0.000 0.443 482 N N 3.121 121.730 118.700 -0.151 0.000 2.347 482 N HA -0.078 4.662 4.740 -0.000 0.000 0.278 482 N C 1.500 177.088 175.510 0.130 0.000 1.367 482 N CA 0.833 53.840 53.050 -0.073 0.000 0.898 482 N CB 0.134 38.546 38.487 -0.126 0.000 1.203 482 N HN 0.773 nan 8.380 nan 0.000 0.491 483 R N 4.333 124.978 120.500 0.242 0.000 2.178 483 R HA -0.281 4.059 4.340 -0.000 0.000 0.257 483 R C 0.609 177.018 176.300 0.182 0.000 1.163 483 R CA 2.474 58.708 56.100 0.222 0.000 0.981 483 R CB -0.305 30.153 30.300 0.263 0.000 0.878 483 R HN 0.657 nan 8.270 nan 0.000 0.454 484 N N -0.494 118.316 118.700 0.183 0.000 2.457 484 N HA -0.037 4.703 4.740 -0.000 0.000 0.180 484 N C 0.318 175.888 175.510 0.099 0.000 1.050 484 N CA 0.214 53.352 53.050 0.146 0.000 0.906 484 N CB 0.178 38.757 38.487 0.153 0.000 0.968 484 N HN 0.111 nan 8.380 nan 0.000 0.445 485 L N 1.146 122.416 121.223 0.078 0.000 2.741 485 L HA 0.257 4.597 4.340 -0.000 0.000 0.237 485 L C 0.043 176.936 176.870 0.038 0.000 1.178 485 L CA -0.040 54.816 54.840 0.028 0.000 0.973 485 L CB -0.547 41.498 42.059 -0.024 0.000 1.255 485 L HN 0.278 nan 8.230 nan 0.000 0.498 486 L N 0.490 121.757 121.223 0.074 0.000 2.559 486 L HA 0.112 4.452 4.340 -0.000 0.000 0.274 486 L C 1.462 178.367 176.870 0.057 0.000 1.205 486 L CA 1.264 56.151 54.840 0.078 0.000 0.907 486 L CB 0.260 42.375 42.059 0.093 0.000 1.153 486 L HN 0.637 nan 8.230 nan 0.000 0.490 487 G N 3.802 112.642 108.800 0.067 0.000 2.245 487 G HA2 -0.318 3.642 3.960 -0.000 0.000 0.264 487 G HA3 -0.318 3.642 3.960 -0.000 0.000 0.264 487 G C 0.506 175.459 174.900 0.089 0.000 0.985 487 G CA 0.476 45.609 45.100 0.054 0.000 0.625 487 G HN 0.574 nan 8.290 nan 0.000 0.536 488 R N 0.627 121.157 120.500 0.051 0.000 2.607 488 R HA 0.598 4.938 4.340 -0.000 0.000 0.261 488 R C 0.449 176.641 176.300 -0.181 0.000 1.051 488 R CA -0.468 55.623 56.100 -0.015 0.000 1.110 488 R CB 0.534 30.803 30.300 -0.051 0.000 1.158 488 R HN 0.340 nan 8.270 nan 0.000 0.543 489 E N 0.850 120.770 120.200 -0.467 0.000 2.351 489 E HA 0.039 4.389 4.350 -0.000 0.000 0.266 489 E C -1.045 175.032 176.600 -0.871 0.000 1.031 489 E CA 0.008 55.625 56.400 -1.304 0.000 0.911 489 E CB 0.495 29.461 29.700 -1.224 0.000 0.986 489 E HN 0.598 nan 8.360 nan 0.000 0.446 490 T N 1.813 115.858 114.554 -0.850 0.000 2.841 490 T HA 0.331 4.681 4.350 -0.000 0.000 0.283 490 T C 0.668 175.128 174.700 -0.401 0.000 1.000 490 T CA -0.968 60.879 62.100 -0.421 0.000 0.977 490 T CB 1.712 70.467 68.868 -0.189 0.000 0.979 490 T HN 0.692 nan 8.240 nan 0.000 0.446 491 R N 0.865 121.092 120.500 -0.454 0.000 2.223 491 R HA 0.154 4.494 4.340 -0.000 0.000 0.198 491 R C -0.697 175.229 176.300 -0.624 0.000 0.984 491 R CA 0.090 55.853 56.100 -0.561 0.000 1.018 491 R CB 0.102 29.965 30.300 -0.729 0.000 0.945 491 R HN 0.578 nan 8.270 nan 0.000 0.479 492 Y N 0.724 120.894 120.300 -0.217 0.000 2.360 492 Y HA 0.684 5.234 4.550 -0.000 0.000 0.337 492 Y C 0.076 175.691 175.900 -0.475 0.000 1.039 492 Y CA -1.282 56.607 58.100 -0.352 0.000 1.109 492 Y CB 1.974 40.183 38.460 -0.418 0.000 1.201 492 Y HN 0.138 nan 8.280 nan 0.000 0.458 493 A N 2.493 125.109 122.820 -0.340 0.000 2.413 493 A HA 0.850 5.170 4.320 -0.000 0.000 0.307 493 A C -2.090 175.105 177.584 -0.649 0.000 1.087 493 A CA -0.760 51.018 52.037 -0.431 0.000 0.750 493 A CB 0.837 19.741 19.000 -0.159 0.000 1.296 493 A HN 0.641 nan 8.150 nan 0.000 0.423 494 Y N 0.473 120.746 120.300 -0.044 0.000 2.341 494 Y HA 0.713 5.263 4.550 -0.000 0.000 0.338 494 Y C -0.271 175.597 175.900 -0.052 0.000 0.965 494 Y CA -0.664 57.462 58.100 0.043 0.000 1.108 494 Y CB 1.658 40.187 38.460 0.114 0.000 1.180 494 Y HN 0.533 nan 8.280 nan 0.000 0.458 495 L N 2.023 123.340 121.223 0.156 0.000 2.466 495 L HA 0.787 5.127 4.340 -0.000 0.000 0.258 495 L C -0.489 176.455 176.870 0.125 0.000 0.973 495 L CA -1.477 53.357 54.840 -0.010 0.000 0.826 495 L CB 2.161 44.152 42.059 -0.113 0.000 1.372 495 L HN 0.720 nan 8.230 nan 0.000 0.409 496 A N 1.512 124.387 122.820 0.092 0.000 2.488 496 A HA 0.465 4.784 4.320 -0.000 0.000 0.249 496 A C -0.107 177.564 177.584 0.144 0.000 1.083 496 A CA -0.146 51.978 52.037 0.146 0.000 0.768 496 A CB 0.247 19.317 19.000 0.117 0.000 1.017 496 A HN 0.410 nan 8.150 nan 0.000 0.496 497 V N 3.564 123.558 119.914 0.134 0.000 2.258 497 V HA 0.307 4.427 4.120 -0.000 0.000 0.258 497 V C 0.990 177.159 176.094 0.126 0.000 1.121 497 V CA 0.219 62.589 62.300 0.117 0.000 0.942 497 V CB 0.269 32.130 31.823 0.062 0.000 1.170 497 V HN 0.992 nan 8.190 nan 0.000 0.487 498 A N 4.292 127.198 122.820 0.143 0.000 2.981 498 A HA 0.359 4.679 4.320 -0.000 0.000 0.280 498 A C 0.699 178.395 177.584 0.186 0.000 1.743 498 A CA 0.057 52.140 52.037 0.077 0.000 1.430 498 A CB -0.313 18.668 19.000 -0.031 0.000 1.085 498 A HN 0.668 nan 8.150 nan 0.000 0.597 499 E N 1.453 121.747 120.200 0.157 0.000 3.306 499 E HA 0.211 4.561 4.350 -0.000 0.000 0.197 499 E C -2.783 173.918 176.600 0.168 0.000 0.980 499 E CA -0.806 55.703 56.400 0.182 0.000 1.259 499 E CB 1.083 30.876 29.700 0.155 0.000 1.112 499 E HN 0.522 nan 8.360 nan 0.000 0.458 500 P HA 0.130 nan 4.420 nan 0.000 0.293 500 P C 0.928 178.314 177.300 0.142 0.000 1.427 500 P CA -0.642 62.539 63.100 0.134 0.000 1.031 500 P CB 0.676 32.428 31.700 0.087 0.000 1.035 501 W N 5.757 127.085 121.300 0.045 0.000 2.355 501 W HA -0.294 4.366 4.660 -0.000 0.000 0.339 501 W C -1.518 175.034 176.519 0.055 0.000 1.436 501 W CA 2.330 59.708 57.345 0.054 0.000 1.284 501 W CB -2.090 27.401 29.460 0.053 0.000 0.965 501 W HN 0.254 nan 8.180 nan 0.000 0.509 502 P HA -0.044 nan 4.420 nan 0.000 0.223 502 P C -0.253 176.756 177.300 -0.486 0.000 1.151 502 P CA 1.602 64.129 63.100 -0.954 0.000 0.787 502 P CB -0.191 31.228 31.700 -0.468 0.000 0.788 503 K N 0.047 120.243 120.400 -0.340 0.000 2.382 503 K HA 0.230 4.550 4.320 -0.000 0.000 0.275 503 K C -0.355 176.122 176.600 -0.206 0.000 1.009 503 K CA -0.042 56.001 56.287 -0.407 0.000 0.970 503 K CB 0.269 32.345 32.500 -0.707 0.000 0.934 503 K HN -0.222 nan 8.250 nan 0.000 0.479 504 V N 3.389 123.255 119.914 -0.080 0.000 2.318 504 V HA 0.054 4.174 4.120 -0.000 0.000 0.271 504 V C 0.509 176.877 176.094 0.456 0.000 1.030 504 V CA -0.300 62.084 62.300 0.141 0.000 0.844 504 V CB 1.003 32.892 31.823 0.109 0.000 1.015 504 V HN 0.909 nan 8.190 nan 0.000 0.460 505 S N 2.577 118.496 115.700 0.365 0.000 2.603 505 S HA 0.416 4.886 4.470 -0.000 0.000 0.220 505 S C 0.892 175.522 174.600 0.050 0.000 0.967 505 S CA 0.331 58.746 58.200 0.359 0.000 0.920 505 S CB 0.438 63.802 63.200 0.272 0.000 0.773 505 S HN 1.078 nan 8.310 nan 0.000 0.529 506 G N 1.048 109.747 108.800 -0.167 0.000 2.435 506 G HA2 0.491 4.451 3.960 -0.000 0.000 0.228 506 G HA3 0.491 4.451 3.960 -0.000 0.000 0.228 506 G C -1.792 172.940 174.900 -0.279 0.000 1.198 506 G CA -0.404 44.202 45.100 -0.823 0.000 0.948 506 G HN 0.612 nan 8.290 nan 0.000 0.487 507 F N -1.147 118.630 119.950 -0.289 0.000 2.703 507 F HA 0.901 5.427 4.527 -0.000 0.000 0.308 507 F C -0.606 175.202 175.800 0.013 0.000 1.126 507 F CA -1.063 56.903 58.000 -0.058 0.000 0.959 507 F CB 1.297 40.300 39.000 0.005 0.000 1.297 507 F HN 1.268 nan 8.300 nan 0.000 0.441 508 A N 2.690 125.513 122.820 0.005 0.000 2.365 508 A HA 0.698 5.018 4.320 -0.000 0.000 0.318 508 A C -1.278 176.338 177.584 0.053 0.000 1.091 508 A CA -1.045 50.939 52.037 -0.089 0.000 0.763 508 A CB 1.623 20.607 19.000 -0.026 0.000 1.248 508 A HN 0.908 nan 8.150 nan 0.000 0.442 509 K N 1.875 122.277 120.400 0.004 0.000 2.227 509 K HA 0.553 4.873 4.320 -0.000 0.000 0.280 509 K C -1.325 175.255 176.600 -0.035 0.000 1.041 509 K CA -0.237 56.068 56.287 0.029 0.000 0.905 509 K CB 0.918 33.446 32.500 0.045 0.000 1.068 509 K HN 0.429 nan 8.250 nan 0.000 0.470 510 V N 3.940 123.814 119.914 -0.065 0.000 2.459 510 V HA 0.105 4.225 4.120 -0.000 0.000 0.295 510 V C -0.366 175.791 176.094 0.105 0.000 1.029 510 V CA -0.767 61.541 62.300 0.013 0.000 0.874 510 V CB 1.656 33.479 31.823 -0.000 0.000 0.985 510 V HN 0.815 nan 8.190 nan 0.000 0.438 511 D N 4.436 124.905 120.400 0.115 0.000 2.479 511 D HA 0.234 4.874 4.640 -0.000 0.000 0.218 511 D C 1.114 177.418 176.300 0.007 0.000 1.131 511 D CA -0.182 53.864 54.000 0.075 0.000 0.916 511 D CB 1.147 42.005 40.800 0.097 0.000 1.022 511 D HN 0.472 nan 8.370 nan 0.000 0.515 512 L N 2.251 123.461 121.223 -0.020 0.000 2.261 512 L HA -0.238 4.102 4.340 -0.000 0.000 0.216 512 L C 2.450 179.346 176.870 0.043 0.000 1.114 512 L CA 0.952 55.814 54.840 0.036 0.000 0.777 512 L CB -0.429 41.681 42.059 0.085 0.000 0.910 512 L HN 0.322 nan 8.230 nan 0.000 0.440 513 S N -1.193 114.503 115.700 -0.007 0.000 2.341 513 S HA -0.142 4.328 4.470 -0.000 0.000 0.216 513 S C 2.042 176.647 174.600 0.009 0.000 1.034 513 S CA 1.098 59.303 58.200 0.008 0.000 0.964 513 S CB -0.881 62.300 63.200 -0.033 0.000 0.882 513 S HN 0.510 nan 8.310 nan 0.000 0.469 514 T N -2.015 112.539 114.554 -0.001 0.000 3.043 514 T HA 0.388 4.738 4.350 -0.000 0.000 0.263 514 T C 1.726 176.438 174.700 0.020 0.000 1.094 514 T CA 0.961 63.066 62.100 0.010 0.000 1.127 514 T CB -0.698 68.177 68.868 0.012 0.000 0.905 514 T HN 1.344 nan 8.240 nan 0.000 0.490 515 G N 1.343 110.159 108.800 0.027 0.000 2.148 515 G HA2 -0.234 3.726 3.960 -0.000 0.000 0.254 515 G HA3 -0.234 3.726 3.960 -0.000 0.000 0.254 515 G C -0.256 174.664 174.900 0.033 0.000 0.981 515 G CA 0.214 45.334 45.100 0.033 0.000 0.670 515 G HN 0.696 nan 8.290 nan 0.000 0.528 516 E N -0.335 119.887 120.200 0.035 0.000 2.349 516 E HA 0.711 5.060 4.350 -0.000 0.000 0.262 516 E C 0.705 177.326 176.600 0.035 0.000 1.088 516 E CA -0.081 56.339 56.400 0.033 0.000 0.899 516 E CB 1.183 30.904 29.700 0.035 0.000 1.044 516 E HN 0.731 nan 8.360 nan 0.000 0.420 517 L N -1.600 119.634 121.223 0.019 0.000 2.415 517 L HA 0.751 5.091 4.340 -0.000 0.000 0.256 517 L C -0.855 176.003 176.870 -0.019 0.000 1.010 517 L CA -0.906 53.937 54.840 0.005 0.000 0.826 517 L CB 2.354 44.417 42.059 0.006 0.000 1.405 517 L HN 0.595 nan 8.230 nan 0.000 0.410 518 T N -0.893 113.635 114.554 -0.044 0.000 2.848 518 T HA 0.656 5.006 4.350 -0.000 0.000 0.285 518 T C -0.640 173.986 174.700 -0.123 0.000 0.995 518 T CA -0.820 61.237 62.100 -0.073 0.000 0.970 518 T CB 1.676 70.502 68.868 -0.070 0.000 0.976 518 T HN 0.715 nan 8.240 nan 0.000 0.441 519 K N 2.253 122.571 120.400 -0.136 0.000 2.118 519 K HA 0.589 4.909 4.320 -0.000 0.000 0.267 519 K C -0.986 175.469 176.600 -0.243 0.000 0.991 519 K CA -0.738 55.432 56.287 -0.194 0.000 0.916 519 K CB 0.582 32.996 32.500 -0.144 0.000 1.041 519 K HN 0.624 nan 8.250 nan 0.000 0.455 520 F N 1.690 121.311 119.950 -0.549 0.000 2.334 520 F HA 0.248 4.774 4.527 -0.000 0.000 0.367 520 F C -0.097 175.474 175.800 -0.383 0.000 1.115 520 F CA -0.953 56.772 58.000 -0.459 0.000 1.116 520 F CB 0.748 39.367 39.000 -0.635 0.000 1.230 520 F HN 0.511 nan 8.300 nan 0.000 0.484 521 E N 4.009 123.973 120.200 -0.393 0.000 2.338 521 E HA 0.071 4.421 4.350 -0.000 0.000 0.272 521 E C 0.034 176.579 176.600 -0.092 0.000 1.029 521 E CA 0.376 56.632 56.400 -0.240 0.000 0.872 521 E CB 0.531 30.110 29.700 -0.202 0.000 1.015 521 E HN 0.735 nan 8.360 nan 0.000 0.417 522 Y N 2.578 122.949 120.300 0.119 0.000 2.516 522 Y HA 0.120 4.670 4.550 -0.000 0.000 0.291 522 Y C 1.228 177.124 175.900 -0.007 0.000 1.131 522 Y CA 0.099 58.285 58.100 0.143 0.000 1.281 522 Y CB 0.491 39.012 38.460 0.102 0.000 1.013 522 Y HN 0.764 nan 8.280 nan 0.000 0.554 523 G N 1.173 110.010 108.800 0.062 0.000 2.662 523 G HA2 -0.220 3.740 3.960 -0.000 0.000 0.686 523 G HA3 -0.220 3.740 3.960 -0.000 0.000 0.686 523 G C -0.885 173.968 174.900 -0.080 0.000 1.271 523 G CA -0.875 44.213 45.100 -0.019 0.000 0.816 523 G HN 0.160 nan 8.290 nan 0.000 0.608 524 E N 0.502 120.661 120.200 -0.068 0.000 2.480 524 E HA 0.363 4.712 4.350 -0.000 0.000 0.258 524 E C 1.511 178.031 176.600 -0.133 0.000 0.984 524 E CA 1.472 57.829 56.400 -0.071 0.000 0.930 524 E CB -0.057 29.628 29.700 -0.025 0.000 0.936 524 E HN 2.342 nan 8.360 nan 0.000 0.466 525 G N 4.534 113.219 108.800 -0.191 0.000 2.160 525 G HA2 -0.311 3.649 3.960 -0.000 0.000 0.251 525 G HA3 -0.311 3.649 3.960 -0.000 0.000 0.251 525 G C -0.052 174.564 174.900 -0.473 0.000 1.008 525 G CA 0.505 45.484 45.100 -0.201 0.000 0.724 525 G HN 0.549 nan 8.290 nan 0.000 0.514 526 R N -1.017 118.963 120.500 -0.867 0.000 2.513 526 R HA 0.712 5.051 4.340 -0.000 0.000 0.301 526 R C -1.092 174.749 176.300 -0.765 0.000 0.968 526 R CA -0.648 55.102 56.100 -0.582 0.000 0.872 526 R CB 1.312 31.474 30.300 -0.231 0.000 1.177 526 R HN 0.100 nan 8.270 nan 0.000 0.444 527 F N -0.075 119.998 119.950 0.204 0.000 2.588 527 F HA 0.705 5.232 4.527 -0.000 0.000 0.310 527 F C 0.735 176.651 175.800 0.193 0.000 1.082 527 F CA -0.726 57.426 58.000 0.252 0.000 0.929 527 F CB 2.348 41.498 39.000 0.251 0.000 1.254 527 F HN 0.636 nan 8.300 nan 0.000 0.455 528 G N -0.312 108.683 108.800 0.325 0.000 3.291 528 G HA2 0.731 4.691 3.960 -0.000 0.000 0.173 528 G HA3 0.731 4.691 3.960 -0.000 0.000 0.173 528 G C -0.380 174.560 174.900 0.067 0.000 1.099 528 G CA -0.214 44.982 45.100 0.159 0.000 0.794 528 G HN 1.082 nan 8.290 nan 0.000 0.651 529 G N -0.866 108.009 108.800 0.124 0.000 2.947 529 G HA2 0.362 4.322 3.960 -0.000 0.000 0.115 529 G HA3 0.362 4.322 3.960 -0.000 0.000 0.115 529 G C -1.039 173.921 174.900 0.100 0.000 1.214 529 G CA 0.222 45.364 45.100 0.070 0.000 1.324 529 G HN 0.697 nan 8.290 nan 0.000 0.645 530 E N 3.164 123.424 120.200 0.101 0.000 2.081 530 E HA 0.356 4.706 4.350 -0.000 0.000 0.270 530 E C -2.017 174.587 176.600 0.006 0.000 1.180 530 E CA -1.413 55.040 56.400 0.089 0.000 0.926 530 E CB 0.535 30.334 29.700 0.164 0.000 1.035 530 E HN 0.135 nan 8.360 nan 0.000 0.418 531 P HA -0.034 nan 4.420 nan 0.000 0.271 531 P C -0.726 176.455 177.300 -0.198 0.000 1.220 531 P CA -0.391 62.527 63.100 -0.302 0.000 0.768 531 P CB 0.900 32.318 31.700 -0.472 0.000 0.848 532 C N 6.325 125.435 119.300 -0.317 0.000 2.251 532 C HA 0.458 4.918 4.460 -0.000 0.000 0.323 532 C C -0.091 174.748 174.990 -0.251 0.000 1.241 532 C CA -0.915 57.987 59.018 -0.192 0.000 1.601 532 C CB -1.956 25.640 27.740 -0.241 0.000 2.251 532 C HN 0.588 nan 8.230 nan 0.000 0.488 533 F N 6.474 126.285 119.950 -0.233 0.000 2.427 533 F HA 0.596 5.123 4.527 -0.000 0.000 0.352 533 F C -0.304 175.381 175.800 -0.193 0.000 1.100 533 F CA -0.016 57.818 58.000 -0.277 0.000 1.191 533 F CB 0.884 39.771 39.000 -0.188 0.000 1.128 533 F HN 0.358 nan 8.300 nan 0.000 0.533 534 V N 8.156 127.482 119.914 -0.979 0.000 2.407 534 V HA 0.374 4.494 4.120 -0.000 0.000 0.291 534 V C -2.268 173.290 176.094 -0.892 0.000 1.018 534 V CA -1.810 60.023 62.300 -0.778 0.000 0.842 534 V CB 1.411 32.660 31.823 -0.956 0.000 0.996 534 V HN 0.635 nan 8.190 nan 0.000 0.426 535 P HA 0.285 nan 4.420 nan 0.000 0.286 535 P C -0.184 177.125 177.300 0.015 0.000 1.269 535 P CA -0.684 62.304 63.100 -0.188 0.000 0.787 535 P CB 0.816 32.643 31.700 0.212 0.000 0.920 536 M N 1.113 120.775 119.600 0.103 0.000 2.720 536 M HA 0.156 4.636 4.480 -0.000 0.000 0.328 536 M C -0.295 176.102 176.300 0.161 0.000 1.682 536 M CA 0.558 56.042 55.300 0.306 0.000 1.381 536 M CB -0.642 32.004 32.600 0.076 0.000 1.868 536 M HN 0.169 nan 8.290 nan 0.000 0.459 537 D N 5.890 126.417 120.400 0.212 0.000 2.364 537 D HA 0.208 4.848 4.640 -0.000 0.000 0.236 537 D C -1.854 174.505 176.300 0.098 0.000 1.221 537 D CA -0.228 53.862 54.000 0.150 0.000 0.891 537 D CB 0.443 41.339 40.800 0.160 0.000 1.190 537 D HN 0.482 nan 8.370 nan 0.000 0.449 538 P HA 0.245 nan 4.420 nan 0.000 0.293 538 P C -0.838 176.462 177.300 0.001 0.000 1.298 538 P CA -0.165 62.959 63.100 0.039 0.000 0.757 538 P CB 0.446 32.182 31.700 0.060 0.000 1.262 539 A N -2.755 120.059 122.820 -0.010 0.000 4.275 539 A HA 0.198 4.518 4.320 -0.000 0.000 0.193 539 A C 0.638 178.169 177.584 -0.089 0.000 1.206 539 A CA 0.342 52.354 52.037 -0.043 0.000 0.906 539 A CB -2.230 16.750 19.000 -0.033 0.000 0.925 539 A HN 0.712 nan 8.150 nan 0.000 0.536 540 A N -0.031 122.735 122.820 -0.089 0.000 2.283 540 A HA 0.825 5.144 4.320 -0.000 0.000 0.225 540 A C 2.126 179.629 177.584 -0.135 0.000 2.109 540 A CA 1.521 53.495 52.037 -0.104 0.000 0.889 540 A CB -1.030 17.924 19.000 -0.077 0.000 1.437 540 A HN 2.097 nan 8.150 nan 0.000 0.595 541 A N -1.695 121.058 122.820 -0.113 0.000 1.858 541 A HA 0.235 4.555 4.320 -0.000 0.000 0.215 541 A C 1.949 179.316 177.584 -0.362 0.000 1.320 541 A CA 1.692 53.634 52.037 -0.158 0.000 0.601 541 A CB -0.592 18.385 19.000 -0.038 0.000 0.976 541 A HN 0.658 nan 8.150 nan 0.000 0.470 542 H N -1.981 117.089 119.070 0.001 0.000 2.984 542 H HA 0.191 4.746 4.556 -0.000 0.000 0.137 542 H C -1.964 173.371 175.328 0.013 0.000 1.110 542 H CA -0.020 56.031 56.048 0.006 0.000 1.070 542 H CB -1.019 28.747 29.762 0.006 0.000 1.019 542 H HN 0.250 nan 8.280 nan 0.000 0.291 543 P HA 0.177 nan 4.420 nan 0.000 0.280 543 P C -0.274 177.064 177.300 0.063 0.000 1.244 543 P CA -0.171 62.983 63.100 0.090 0.000 0.784 543 P CB 0.995 32.741 31.700 0.077 0.000 0.913 544 R N 1.332 121.863 120.500 0.051 0.000 2.863 544 R HA 0.451 4.791 4.340 -0.000 0.000 0.273 544 R C 1.121 177.448 176.300 0.046 0.000 1.057 544 R CA -0.253 55.867 56.100 0.033 0.000 1.191 544 R CB -0.712 29.608 30.300 0.034 0.000 1.104 544 R HN 0.524 nan 8.270 nan 0.000 0.519 545 G N -0.080 108.742 108.800 0.038 0.000 2.398 545 G HA2 -0.040 3.920 3.960 -0.000 0.000 0.246 545 G HA3 -0.040 3.920 3.960 -0.000 0.000 0.246 545 G C 0.415 175.374 174.900 0.099 0.000 1.289 545 G CA -0.409 44.724 45.100 0.055 0.000 0.869 545 G HN 0.840 nan 8.290 nan 0.000 0.543 546 E N 1.018 121.278 120.200 0.100 0.000 2.197 546 E HA -0.249 4.101 4.350 -0.000 0.000 0.205 546 E C 1.111 177.829 176.600 0.197 0.000 1.029 546 E CA 1.790 58.261 56.400 0.117 0.000 0.828 546 E CB 0.171 29.915 29.700 0.072 0.000 0.737 546 E HN 0.709 nan 8.360 nan 0.000 0.464 547 D N -0.237 120.302 120.400 0.231 0.000 2.559 547 D HA 0.009 4.648 4.640 -0.000 0.000 0.234 547 D C -0.752 175.684 176.300 0.227 0.000 1.226 547 D CA -0.229 53.934 54.000 0.271 0.000 0.830 547 D CB -0.087 40.776 40.800 0.106 0.000 1.028 547 D HN -0.074 nan 8.370 nan 0.000 0.492 548 D N 1.346 121.853 120.400 0.179 0.000 2.470 548 D HA 0.460 5.100 4.640 -0.000 0.000 0.226 548 D C 0.701 177.000 176.300 -0.001 0.000 1.196 548 D CA 0.169 54.187 54.000 0.030 0.000 0.979 548 D CB 0.922 41.719 40.800 -0.004 0.000 1.059 548 D HN 0.389 nan 8.370 nan 0.000 0.515 549 G N 0.232 108.919 108.800 -0.189 0.000 2.664 549 G HA2 0.506 4.466 3.960 -0.000 0.000 0.303 549 G HA3 0.506 4.466 3.960 -0.000 0.000 0.303 549 G C -1.825 172.570 174.900 -0.842 0.000 1.243 549 G CA -0.636 44.157 45.100 -0.513 0.000 0.826 549 G HN 0.193 nan 8.290 nan 0.000 0.498 550 Y N -1.400 118.502 120.300 -0.663 0.000 2.534 550 Y HA 0.565 5.115 4.550 -0.000 0.000 0.345 550 Y C -0.168 175.357 175.900 -0.625 0.000 1.031 550 Y CA -0.773 57.030 58.100 -0.495 0.000 1.022 550 Y CB 2.652 40.856 38.460 -0.427 0.000 1.292 550 Y HN 0.358 nan 8.280 nan 0.000 0.459 551 V N 4.468 124.177 119.914 -0.340 0.000 2.427 551 V HA 0.471 4.591 4.120 -0.000 0.000 0.286 551 V C -0.501 175.276 176.094 -0.528 0.000 1.034 551 V CA -0.806 61.195 62.300 -0.498 0.000 0.893 551 V CB 1.384 32.839 31.823 -0.615 0.000 0.982 551 V HN 0.516 nan 8.190 nan 0.000 0.452 552 L N 4.807 125.638 121.223 -0.654 0.000 2.319 552 L HA 0.703 5.043 4.340 -0.000 0.000 0.281 552 L C -0.263 176.110 176.870 -0.827 0.000 1.005 552 L CA -0.228 54.166 54.840 -0.744 0.000 0.828 552 L CB 1.835 43.335 42.059 -0.932 0.000 1.227 552 L HN 0.664 nan 8.230 nan 0.000 0.415 553 T N 0.223 114.389 114.554 -0.647 0.000 2.886 553 T HA 0.560 4.910 4.350 -0.000 0.000 0.292 553 T C -0.352 174.106 174.700 -0.403 0.000 1.012 553 T CA -0.649 61.142 62.100 -0.514 0.000 0.982 553 T CB 1.412 70.070 68.868 -0.350 0.000 1.018 553 T HN -0.000 nan 8.240 nan 0.000 0.451 554 F N 1.629 121.518 119.950 -0.101 0.000 2.518 554 F HA 0.472 4.999 4.527 -0.000 0.000 0.359 554 F C 0.626 176.316 175.800 -0.185 0.000 1.118 554 F CA -0.529 57.415 58.000 -0.094 0.000 1.287 554 F CB 0.298 39.279 39.000 -0.030 0.000 1.132 554 F HN 0.240 nan 8.300 nan 0.000 0.587 555 V N 1.231 121.143 119.914 -0.003 0.000 3.113 555 V HA 0.451 4.571 4.120 -0.000 0.000 0.316 555 V C -1.328 174.786 176.094 0.033 0.000 1.125 555 V CA -0.924 61.288 62.300 -0.145 0.000 1.026 555 V CB 2.313 33.933 31.823 -0.337 0.000 1.080 555 V HN 0.757 nan 8.190 nan 0.000 0.444 556 H N 0.548 119.587 119.070 -0.051 0.000 3.108 556 H HA 0.357 4.913 4.556 -0.000 0.000 0.329 556 H C -0.948 174.358 175.328 -0.037 0.000 0.978 556 H CA -0.424 55.595 56.048 -0.049 0.000 1.413 556 H CB 0.991 30.710 29.762 -0.072 0.000 1.670 556 H HN 0.660 nan 8.280 nan 0.000 0.512 557 D N 3.591 123.702 120.400 -0.483 0.000 2.390 557 D HA 0.063 4.703 4.640 -0.000 0.000 0.249 557 D C -0.134 175.964 176.300 -0.336 0.000 1.144 557 D CA 0.275 54.078 54.000 -0.328 0.000 0.880 557 D CB 1.042 41.692 40.800 -0.251 0.000 1.182 557 D HN 0.675 nan 8.370 nan 0.000 0.451 558 E N 1.192 121.334 120.200 -0.096 0.000 2.267 558 E HA 0.258 4.608 4.350 -0.000 0.000 0.258 558 E C 0.221 176.807 176.600 -0.024 0.000 1.074 558 E CA -0.976 55.427 56.400 0.005 0.000 0.915 558 E CB 1.097 30.890 29.700 0.155 0.000 1.186 558 E HN 0.337 nan 8.360 nan 0.000 0.439 559 R N 0.124 120.627 120.500 0.005 0.000 3.225 559 R HA -0.235 4.104 4.340 -0.000 0.000 0.245 559 R C -1.169 175.103 176.300 -0.048 0.000 0.928 559 R CA 0.218 56.310 56.100 -0.012 0.000 0.632 559 R CB -1.587 28.706 30.300 -0.012 0.000 1.038 559 R HN 0.566 nan 8.270 nan 0.000 0.461 560 A N 0.902 123.687 122.820 -0.058 0.000 2.484 560 A HA 0.441 4.761 4.320 -0.000 0.000 0.268 560 A C 1.125 178.639 177.584 -0.118 0.000 1.114 560 A CA 0.523 52.480 52.037 -0.133 0.000 0.780 560 A CB 0.607 19.531 19.000 -0.127 0.000 1.061 560 A HN 0.655 nan 8.150 nan 0.000 0.505 561 G N 1.467 110.180 108.800 -0.145 0.000 2.783 561 G HA2 0.440 4.400 3.960 -0.000 0.000 0.182 561 G HA3 0.440 4.400 3.960 -0.000 0.000 0.182 561 G C 0.830 175.625 174.900 -0.176 0.000 1.516 561 G CA 0.569 45.594 45.100 -0.126 0.000 1.079 561 G HN 1.077 nan 8.290 nan 0.000 0.573 562 T N -2.267 112.195 114.554 -0.153 0.000 2.994 562 T HA 0.530 4.880 4.350 -0.000 0.000 0.322 562 T C 0.261 174.845 174.700 -0.193 0.000 1.199 562 T CA -0.001 62.010 62.100 -0.149 0.000 0.945 562 T CB 0.601 69.400 68.868 -0.115 0.000 1.754 562 T HN 0.414 nan 8.240 nan 0.000 0.571 563 S N 0.471 116.089 115.700 -0.136 0.000 2.503 563 S HA 0.540 5.010 4.470 -0.000 0.000 0.301 563 S C -0.728 173.818 174.600 -0.091 0.000 1.087 563 S CA -0.928 57.211 58.200 -0.101 0.000 1.042 563 S CB 1.413 64.561 63.200 -0.087 0.000 1.043 563 S HN 0.727 nan 8.310 nan 0.000 0.489 564 E N 0.713 120.883 120.200 -0.050 0.000 2.249 564 E HA 0.567 4.917 4.350 -0.000 0.000 0.263 564 E C -1.264 175.367 176.600 0.053 0.000 0.950 564 E CA -0.985 55.400 56.400 -0.025 0.000 0.827 564 E CB 1.722 31.393 29.700 -0.048 0.000 1.220 564 E HN 0.362 nan 8.360 nan 0.000 0.411 565 L N 2.042 123.288 121.223 0.038 0.000 2.319 565 L HA 0.375 4.715 4.340 -0.000 0.000 0.281 565 L C -1.379 175.415 176.870 -0.126 0.000 1.005 565 L CA -0.311 54.507 54.840 -0.037 0.000 0.828 565 L CB 0.733 42.769 42.059 -0.037 0.000 1.227 565 L HN 0.456 nan 8.230 nan 0.000 0.415 566 L N 5.002 126.113 121.223 -0.187 0.000 2.439 566 L HA 0.548 4.887 4.340 -0.000 0.000 0.261 566 L C -0.547 176.181 176.870 -0.237 0.000 1.153 566 L CA -0.915 53.822 54.840 -0.173 0.000 0.808 566 L CB 1.541 43.502 42.059 -0.165 0.000 1.126 566 L HN 0.365 nan 8.230 nan 0.000 0.460 567 V N 2.659 122.466 119.914 -0.178 0.000 2.380 567 V HA 0.321 4.441 4.120 -0.000 0.000 0.286 567 V C -0.215 175.831 176.094 -0.080 0.000 1.015 567 V CA -0.506 61.684 62.300 -0.183 0.000 0.834 567 V CB 1.747 33.449 31.823 -0.202 0.000 1.009 567 V HN 0.402 nan 8.190 nan 0.000 0.428 568 V N 3.683 123.540 119.914 -0.096 0.000 2.513 568 V HA 0.382 4.502 4.120 -0.000 0.000 0.299 568 V C 0.221 176.345 176.094 0.050 0.000 1.035 568 V CA -0.914 61.375 62.300 -0.017 0.000 0.889 568 V CB 1.956 33.716 31.823 -0.105 0.000 0.988 568 V HN 0.888 nan 8.190 nan 0.000 0.440 569 N N 2.864 121.597 118.700 0.056 0.000 2.406 569 N HA 0.276 5.016 4.740 -0.000 0.000 0.265 569 N C 1.176 176.594 175.510 -0.155 0.000 1.203 569 N CA 0.452 53.419 53.050 -0.139 0.000 0.945 569 N CB 1.302 39.752 38.487 -0.061 0.000 1.165 569 N HN 0.857 nan 8.380 nan 0.000 0.485 570 A N 3.558 126.221 122.820 -0.262 0.000 1.986 570 A HA -0.186 4.134 4.320 -0.000 0.000 0.220 570 A C 2.076 179.641 177.584 -0.032 0.000 1.171 570 A CA 1.960 53.940 52.037 -0.095 0.000 0.640 570 A CB -0.772 18.244 19.000 0.026 0.000 0.811 570 A HN 0.757 nan 8.150 nan 0.000 0.451 571 A N 0.489 123.249 122.820 -0.100 0.000 1.874 571 A HA -0.013 4.307 4.320 -0.000 0.000 0.214 571 A C 1.590 179.128 177.584 -0.078 0.000 1.189 571 A CA 1.633 53.618 52.037 -0.086 0.000 0.615 571 A CB -0.289 18.659 19.000 -0.087 0.000 0.830 571 A HN 0.603 nan 8.150 nan 0.000 0.443 572 D N -3.327 117.039 120.400 -0.056 0.000 2.395 572 D HA 0.212 4.852 4.640 -0.000 0.000 0.213 572 D C 0.584 176.884 176.300 -0.001 0.000 1.110 572 D CA -0.002 53.980 54.000 -0.030 0.000 0.835 572 D CB 0.224 41.012 40.800 -0.019 0.000 0.965 572 D HN 0.056 nan 8.370 nan 0.000 0.505 573 M N 0.394 120.003 119.600 0.015 0.000 2.360 573 M HA -0.205 4.275 4.480 -0.000 0.000 0.202 573 M C -1.328 175.070 176.300 0.164 0.000 0.390 573 M CA 0.362 55.706 55.300 0.073 0.000 0.470 573 M CB -1.588 31.024 32.600 0.020 0.000 1.637 573 M HN 0.193 nan 8.290 nan 0.000 0.885 574 R N 0.067 120.657 120.500 0.150 0.000 2.534 574 R HA 0.646 4.986 4.340 -0.000 0.000 0.301 574 R C -0.638 175.800 176.300 0.231 0.000 0.961 574 R CA -1.185 55.025 56.100 0.184 0.000 0.871 574 R CB 1.374 31.730 30.300 0.094 0.000 1.170 574 R HN 0.276 nan 8.270 nan 0.000 0.446 575 L N 2.296 123.722 121.223 0.338 0.000 2.453 575 L HA 0.041 4.381 4.340 -0.000 0.000 0.272 575 L C 0.454 177.415 176.870 0.150 0.000 1.182 575 L CA 1.279 56.286 54.840 0.279 0.000 0.858 575 L CB 0.574 42.863 42.059 0.383 0.000 1.120 575 L HN 0.778 nan 8.230 nan 0.000 0.474 576 E N 2.759 123.020 120.200 0.102 0.000 2.441 576 E HA 0.427 4.776 4.350 -0.000 0.000 0.207 576 E C -0.633 175.984 176.600 0.028 0.000 0.803 576 E CA 0.297 56.742 56.400 0.075 0.000 1.240 576 E CB 0.881 30.647 29.700 0.110 0.000 1.233 576 E HN 0.739 nan 8.360 nan 0.000 0.590 577 A N 0.540 123.357 122.820 -0.005 0.000 2.498 577 A HA 0.702 5.022 4.320 -0.000 0.000 0.298 577 A C -0.935 176.625 177.584 -0.040 0.000 1.075 577 A CA -0.488 51.527 52.037 -0.036 0.000 0.714 577 A CB 1.979 20.929 19.000 -0.085 0.000 1.299 577 A HN -0.029 nan 8.150 nan 0.000 0.407 578 T N 1.422 115.956 114.554 -0.033 0.000 2.965 578 T HA 0.508 4.858 4.350 -0.000 0.000 0.306 578 T C -0.900 173.779 174.700 -0.036 0.000 0.991 578 T CA -0.305 61.777 62.100 -0.031 0.000 1.001 578 T CB 1.025 69.888 68.868 -0.007 0.000 0.984 578 T HN 0.603 nan 8.240 nan 0.000 0.446 579 V N 3.659 123.548 119.914 -0.042 0.000 2.398 579 V HA 0.422 4.542 4.120 -0.000 0.000 0.286 579 V C -0.023 176.054 176.094 -0.029 0.000 1.026 579 V CA -0.950 61.331 62.300 -0.031 0.000 0.868 579 V CB 1.473 33.284 31.823 -0.020 0.000 0.982 579 V HN 0.728 nan 8.190 nan 0.000 0.443 580 Q N 3.966 123.744 119.800 -0.037 0.000 2.267 580 Q HA 0.476 4.815 4.340 -0.000 0.000 0.255 580 Q C -0.754 175.195 176.000 -0.086 0.000 0.923 580 Q CA -0.194 55.574 55.803 -0.059 0.000 0.925 580 Q CB 1.197 29.902 28.738 -0.055 0.000 1.195 580 Q HN 0.483 nan 8.270 nan 0.000 0.417 581 L N 5.607 126.742 121.223 -0.147 0.000 2.334 581 L HA 0.280 4.620 4.340 -0.000 0.000 0.277 581 L C -1.323 175.411 176.870 -0.228 0.000 1.075 581 L CA -1.896 52.772 54.840 -0.286 0.000 0.804 581 L CB 0.553 42.299 42.059 -0.521 0.000 1.174 581 L HN 0.569 nan 8.230 nan 0.000 0.438 582 P HA -0.108 nan 4.420 nan 0.000 0.214 582 P C 0.970 178.211 177.300 -0.098 0.000 1.162 582 P CA 1.000 64.043 63.100 -0.095 0.000 0.879 582 P CB 0.307 31.993 31.700 -0.023 0.000 0.786 583 S N -0.258 115.373 115.700 -0.116 0.000 2.307 583 S HA 0.204 4.673 4.470 -0.000 0.000 0.252 583 S C 0.555 175.077 174.600 -0.131 0.000 1.204 583 S CA -0.602 57.548 58.200 -0.083 0.000 1.018 583 S CB 0.219 63.410 63.200 -0.016 0.000 1.077 583 S HN 0.015 nan 8.310 nan 0.000 0.454 584 R N -0.106 120.332 120.500 -0.103 0.000 2.480 584 R HA 0.570 4.910 4.340 -0.000 0.000 0.306 584 R C -1.920 174.284 176.300 -0.161 0.000 0.958 584 R CA -0.634 55.406 56.100 -0.101 0.000 0.861 584 R CB 1.566 31.841 30.300 -0.041 0.000 1.171 584 R HN 0.521 nan 8.270 nan 0.000 0.445 585 V N 7.484 127.240 119.914 -0.264 0.000 2.368 585 V HA 0.286 4.406 4.120 -0.000 0.000 0.266 585 V C -1.745 174.074 176.094 -0.457 0.000 1.045 585 V CA -1.498 60.536 62.300 -0.443 0.000 0.899 585 V CB 0.919 32.231 31.823 -0.852 0.000 1.006 585 V HN 0.763 nan 8.190 nan 0.000 0.470 586 P HA 0.261 nan 4.420 nan 0.000 0.276 586 P C -0.299 176.755 177.300 -0.410 0.000 1.252 586 P CA -0.541 62.256 63.100 -0.506 0.000 0.802 586 P CB 0.648 32.145 31.700 -0.339 0.000 1.035 587 F N -0.005 119.712 119.950 -0.388 0.000 2.586 587 F HA 0.404 4.930 4.527 -0.000 0.000 0.344 587 F C 1.678 177.308 175.800 -0.284 0.000 1.188 587 F CA 0.959 58.760 58.000 -0.332 0.000 1.359 587 F CB -0.748 37.941 39.000 -0.519 0.000 1.129 587 F HN 0.474 nan 8.300 nan 0.000 0.609 588 G N 0.231 109.011 108.800 -0.033 0.000 2.782 588 G HA2 0.580 4.539 3.960 -0.000 0.000 0.304 588 G HA3 0.580 4.539 3.960 -0.000 0.000 0.304 588 G C -1.289 173.458 174.900 -0.256 0.000 1.315 588 G CA -0.659 44.257 45.100 -0.306 0.000 0.791 588 G HN 0.265 nan 8.290 nan 0.000 0.519 589 F N -0.672 119.271 119.950 -0.011 0.000 3.034 589 F HA 0.483 5.010 4.527 -0.000 0.000 0.165 589 F C 0.845 176.599 175.800 -0.076 0.000 1.484 589 F CA -0.859 57.066 58.000 -0.125 0.000 0.903 589 F CB -0.495 38.410 39.000 -0.158 0.000 2.041 589 F HN 0.166 nan 8.300 nan 0.000 0.436 590 H N 0.188 119.499 119.070 0.401 0.000 2.690 590 H HA 0.460 5.016 4.556 -0.000 0.000 0.314 590 H C 0.230 175.691 175.328 0.222 0.000 1.069 590 H CA -0.052 56.169 56.048 0.288 0.000 1.436 590 H CB 0.402 30.327 29.762 0.272 0.000 1.462 590 H HN 0.537 nan 8.280 nan 0.000 0.511 591 G N 0.977 109.982 108.800 0.341 0.000 2.491 591 G HA2 0.439 4.399 3.960 -0.000 0.000 0.327 591 G HA3 0.439 4.399 3.960 -0.000 0.000 0.327 591 G C -0.475 174.610 174.900 0.308 0.000 1.189 591 G CA -0.381 44.879 45.100 0.267 0.000 0.956 591 G HN 0.573 nan 8.290 nan 0.000 0.491 592 T N -1.395 113.319 114.554 0.266 0.000 2.843 592 T HA 0.577 4.927 4.350 -0.000 0.000 0.302 592 T C -2.109 172.818 174.700 0.377 0.000 1.232 592 T CA -0.499 61.782 62.100 0.302 0.000 1.009 592 T CB 1.416 70.417 68.868 0.221 0.000 1.254 592 T HN 0.361 nan 8.240 nan 0.000 0.504 593 F N 3.002 123.054 119.950 0.170 0.000 2.460 593 F HA 0.689 5.216 4.527 -0.000 0.000 0.341 593 F C -0.876 174.941 175.800 0.029 0.000 1.130 593 F CA -1.063 57.002 58.000 0.108 0.000 0.962 593 F CB 0.807 39.849 39.000 0.072 0.000 1.171 593 F HN 0.432 nan 8.300 nan 0.000 0.436 594 I N 5.340 125.548 120.570 -0.604 0.000 2.331 594 I HA 0.280 4.449 4.170 -0.000 0.000 0.292 594 I C 0.332 176.027 176.117 -0.704 0.000 0.998 594 I CA -0.423 60.524 61.300 -0.588 0.000 1.267 594 I CB 1.417 38.976 38.000 -0.734 0.000 1.386 594 I HN 0.506 nan 8.210 nan 0.000 0.476 595 T N 4.215 118.570 114.554 -0.332 0.000 2.856 595 T HA 0.070 4.420 4.350 -0.000 0.000 0.306 595 T C 1.484 176.061 174.700 -0.204 0.000 1.062 595 T CA 0.071 62.072 62.100 -0.165 0.000 1.083 595 T CB 1.252 70.133 68.868 0.021 0.000 0.984 595 T HN 0.883 nan 8.240 nan 0.000 0.542 596 G N 1.071 109.800 108.800 -0.117 0.000 2.459 596 G HA2 -0.268 3.691 3.960 -0.000 0.000 0.217 596 G HA3 -0.268 3.691 3.960 -0.000 0.000 0.217 596 G C 1.395 176.258 174.900 -0.061 0.000 1.183 596 G CA 1.097 46.141 45.100 -0.094 0.000 0.776 596 G HN 0.814 nan 8.290 nan 0.000 0.552 597 Q N 0.012 119.801 119.800 -0.019 0.000 2.297 597 Q HA 0.205 4.545 4.340 -0.000 0.000 0.204 597 Q C 2.037 178.050 176.000 0.021 0.000 0.962 597 Q CA 1.369 57.177 55.803 0.009 0.000 0.879 597 Q CB -0.199 28.558 28.738 0.031 0.000 0.947 597 Q HN 0.588 nan 8.270 nan 0.000 0.462 598 E N 0.849 121.051 120.200 0.003 0.000 2.072 598 E HA -0.086 4.264 4.350 -0.000 0.000 0.191 598 E C 1.747 178.368 176.600 0.036 0.000 0.985 598 E CA 0.803 57.233 56.400 0.050 0.000 0.801 598 E CB -0.056 29.632 29.700 -0.020 0.000 0.750 598 E HN 0.397 nan 8.360 nan 0.000 0.452 599 L N 1.093 122.228 121.223 -0.147 0.000 2.187 599 L HA -0.212 4.128 4.340 -0.000 0.000 0.213 599 L C 2.261 179.144 176.870 0.020 0.000 1.100 599 L CA 1.036 55.796 54.840 -0.133 0.000 0.765 599 L CB -0.267 41.687 42.059 -0.176 0.000 0.904 599 L HN 0.192 nan 8.230 nan 0.000 0.437 600 E N -0.046 120.167 120.200 0.021 0.000 2.118 600 E HA -0.241 4.109 4.350 -0.000 0.000 0.195 600 E C 2.217 178.844 176.600 0.046 0.000 0.992 600 E CA 1.235 57.651 56.400 0.027 0.000 0.804 600 E CB -0.125 29.586 29.700 0.019 0.000 0.741 600 E HN 0.548 nan 8.360 nan 0.000 0.458 601 A N 1.126 123.994 122.820 0.080 0.000 2.121 601 A HA -0.230 4.090 4.320 -0.000 0.000 0.218 601 A C 1.992 179.596 177.584 0.033 0.000 1.154 601 A CA 1.258 53.322 52.037 0.046 0.000 0.679 601 A CB -0.427 18.591 19.000 0.031 0.000 0.795 601 A HN 0.216 nan 8.150 nan 0.000 0.458 602 Q N -0.202 119.664 119.800 0.109 0.000 2.028 602 Q HA -0.241 4.099 4.340 -0.000 0.000 0.215 602 Q C 0.864 176.875 176.000 0.019 0.000 1.041 602 Q CA 1.987 57.850 55.803 0.101 0.000 0.897 602 Q CB -0.743 28.064 28.738 0.115 0.000 1.017 602 Q HN 1.412 nan 8.270 nan 0.000 0.418 603 A N -0.790 122.036 122.820 0.010 0.000 1.411 603 A HA 0.096 4.416 4.320 -0.000 0.000 0.183 603 A C -0.041 177.542 177.584 -0.001 0.000 1.192 603 A CA 0.846 52.879 52.037 -0.008 0.000 0.677 603 A CB -1.503 17.483 19.000 -0.024 0.000 1.075 603 A HN 0.965 nan 8.150 nan 0.000 0.161 604 A N 0.000 122.817 122.820 -0.004 0.000 2.254 604 A HA 0.000 4.320 4.320 -0.000 0.000 0.244 604 A CA 0.000 52.031 52.037 -0.011 0.000 0.836 604 A CB 0.000 18.974 19.000 -0.044 0.000 0.831 604 A HN 0.000 nan 8.150 nan 0.000 0.486