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 3dxj_1_P DATA FIRST_RESID 74 DATA SEQUENCE KISTSDPVRQ YLHEIGQVPL LTLEEEVELA RKVEEGMEAI KKLSEITGLD DATA SEQUENCE PDLIREVVRA KILGSARVRH IPGLKETLDP KTVEEIDQKL KSLPKEHKRY DATA SEQUENCE LHIAREGEAA RQHLIEANLR LVVSIAKKYT GRGLSFLDLI QEGNQGLIRA DATA SEQUENCE VEKFEYKRRF KFSTYATWWI RQAINRAIAD QARTIRIPVH MVETINKLSR DATA SEQUENCE TARQLQQELG REPTYEEIAE AMGPGWDAKR VEETLKIAQE PVSLETPIGD DATA SEQUENCE EKDSFYGDFI PDEHLPSPVD AATQSLLSEE LEKALSKLSE REAMVLKLRK DATA SEQUENCE GLIDGREHTL EEVGAFFGVT RERIRQIENK ALRKLKYHES RTRKLRDFL 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 74 K HA 0.000 nan 4.320 nan 0.000 0.191 74 K C 0.000 176.606 176.600 0.011 0.000 0.988 74 K CA 0.000 56.294 56.287 0.011 0.000 0.838 74 K CB 0.000 32.505 32.500 0.009 0.000 1.064 75 I N 0.621 121.197 120.570 0.009 0.000 2.071 75 I HA -0.110 4.060 4.170 -0.000 0.000 0.214 75 I C 0.994 177.118 176.117 0.011 0.000 1.020 75 I CA 1.290 62.595 61.300 0.009 0.000 1.334 75 I CB -0.626 37.378 38.000 0.008 0.000 1.073 75 I HN 0.005 nan 8.210 nan 0.000 0.388 76 S N 1.307 117.014 115.700 0.011 0.000 4.175 76 S HA 0.026 4.496 4.470 -0.000 0.000 0.193 76 S C 0.806 175.415 174.600 0.015 0.000 1.373 76 S CA 0.153 58.361 58.200 0.013 0.000 0.908 76 S CB -1.049 62.158 63.200 0.012 0.000 1.547 76 S HN 0.519 nan 8.310 nan 0.000 0.440 77 T N 1.854 116.419 114.554 0.018 0.000 4.210 77 T HA -0.016 4.334 4.350 -0.000 0.000 0.247 77 T C 1.405 176.121 174.700 0.027 0.000 0.883 77 T CA -0.014 62.099 62.100 0.022 0.000 0.927 77 T CB -0.890 67.993 68.868 0.025 0.000 1.271 77 T HN 0.410 nan 8.240 nan 0.000 0.692 78 S N 2.015 117.729 115.700 0.023 0.000 2.751 78 S HA -0.099 4.371 4.470 -0.000 0.000 0.248 78 S C 0.627 175.245 174.600 0.030 0.000 0.979 78 S CA 0.630 58.844 58.200 0.024 0.000 0.987 78 S CB -0.624 62.587 63.200 0.019 0.000 0.777 78 S HN 0.897 nan 8.310 nan 0.000 0.544 79 D N -0.651 119.770 120.400 0.035 0.000 3.139 79 D HA 0.296 4.936 4.640 -0.000 0.000 0.268 79 D C -1.748 174.592 176.300 0.067 0.000 1.322 79 D CA -1.960 52.065 54.000 0.042 0.000 0.940 79 D CB 0.499 41.319 40.800 0.035 0.000 1.050 79 D HN 0.140 nan 8.370 nan 0.000 0.503 80 P HA -0.307 nan 4.420 nan 0.000 0.218 80 P C 2.047 179.439 177.300 0.155 0.000 1.154 80 P CA 1.920 65.082 63.100 0.103 0.000 0.872 80 P CB 0.023 31.769 31.700 0.077 0.000 0.790 81 V N -0.971 119.027 119.914 0.141 0.000 2.242 81 V HA -0.417 3.703 4.120 -0.000 0.000 0.257 81 V C 2.169 178.373 176.094 0.183 0.000 1.073 81 V CA 2.457 64.865 62.300 0.179 0.000 1.058 81 V CB -1.728 30.157 31.823 0.103 0.000 0.664 81 V HN 0.067 nan 8.190 nan 0.000 0.451 82 R N 0.411 120.985 120.500 0.123 0.000 2.082 82 R HA -0.184 4.156 4.340 -0.000 0.000 0.234 82 R C 2.609 179.001 176.300 0.153 0.000 1.136 82 R CA 2.256 58.420 56.100 0.107 0.000 0.935 82 R CB -0.683 29.660 30.300 0.072 0.000 0.842 82 R HN 0.741 nan 8.270 nan 0.000 0.430 83 Q N -0.095 119.807 119.800 0.170 0.000 2.012 83 Q HA -0.285 4.055 4.340 -0.000 0.000 0.211 83 Q C 2.087 178.362 176.000 0.458 0.000 1.009 83 Q CA 2.198 58.137 55.803 0.227 0.000 0.866 83 Q CB -0.572 28.271 28.738 0.176 0.000 0.945 83 Q HN 0.367 nan 8.270 nan 0.000 0.414 84 Y N 1.187 121.632 120.300 0.242 0.000 2.207 84 Y HA -0.151 4.399 4.550 -0.000 0.000 0.287 84 Y C 1.529 177.396 175.900 -0.056 0.000 1.156 84 Y CA 1.039 59.225 58.100 0.143 0.000 1.182 84 Y CB -0.211 38.291 38.460 0.070 0.000 0.979 84 Y HN 0.058 nan 8.280 nan 0.000 0.521 85 L N 1.842 123.093 121.223 0.048 0.000 2.962 85 L HA -0.142 4.198 4.340 -0.000 0.000 0.263 85 L C 1.273 178.099 176.870 -0.074 0.000 1.152 85 L CA 0.558 55.358 54.840 -0.067 0.000 0.954 85 L CB -0.789 41.297 42.059 0.045 0.000 1.213 85 L HN 0.497 nan 8.230 nan 0.000 0.422 86 H N -2.320 116.693 119.070 -0.097 0.000 2.519 86 H HA 0.122 4.678 4.556 -0.000 0.000 0.289 86 H C 0.787 176.046 175.328 -0.115 0.000 1.040 86 H CA -0.293 55.714 56.048 -0.068 0.000 1.165 86 H CB 0.169 29.911 29.762 -0.034 0.000 1.462 86 H HN 0.313 nan 8.280 nan 0.000 0.555 87 E N 1.141 121.056 120.200 -0.475 0.000 2.510 87 E HA -0.086 4.264 4.350 -0.000 0.000 0.202 87 E C 1.756 178.256 176.600 -0.167 0.000 1.072 87 E CA 0.154 56.306 56.400 -0.414 0.000 0.883 87 E CB 0.151 29.609 29.700 -0.402 0.000 0.818 87 E HN 0.629 nan 8.360 nan 0.000 0.548 88 I N -0.038 120.478 120.570 -0.090 0.000 2.584 88 I HA -0.034 4.136 4.170 -0.000 0.000 0.255 88 I C 1.974 178.095 176.117 0.007 0.000 1.145 88 I CA 0.773 62.058 61.300 -0.025 0.000 1.462 88 I CB 0.035 38.033 38.000 -0.003 0.000 1.102 88 I HN 0.050 nan 8.210 nan 0.000 0.433 89 G N 0.163 108.989 108.800 0.045 0.000 2.535 89 G HA2 -0.218 3.742 3.960 -0.000 0.000 0.218 89 G HA3 -0.218 3.742 3.960 -0.000 0.000 0.218 89 G C 0.741 175.672 174.900 0.051 0.000 1.122 89 G CA 0.028 45.170 45.100 0.069 0.000 0.769 89 G HN 0.338 nan 8.290 nan 0.000 0.549 90 Q N 0.533 120.345 119.800 0.020 0.000 2.256 90 Q HA 0.417 4.757 4.340 -0.000 0.000 0.254 90 Q C -0.393 175.612 176.000 0.009 0.000 0.916 90 Q CA -0.449 55.360 55.803 0.012 0.000 0.932 90 Q CB 1.668 30.390 28.738 -0.027 0.000 1.207 90 Q HN -0.050 nan 8.270 nan 0.000 0.426 91 V N 8.166 128.091 119.914 0.019 0.000 2.370 91 V HA 0.198 4.317 4.120 -0.000 0.000 0.257 91 V C -1.773 174.330 176.094 0.016 0.000 1.064 91 V CA -1.021 61.287 62.300 0.014 0.000 0.975 91 V CB 0.683 32.513 31.823 0.011 0.000 1.067 91 V HN 0.855 nan 8.190 nan 0.000 0.485 92 P HA 0.033 nan 4.420 nan 0.000 0.245 92 P C 1.183 178.499 177.300 0.027 0.000 1.212 92 P CA -0.106 63.008 63.100 0.023 0.000 0.774 92 P CB 0.134 31.845 31.700 0.018 0.000 0.999 93 L N -0.069 121.165 121.223 0.019 0.000 3.327 93 L HA -0.055 4.285 4.340 -0.000 0.000 0.271 93 L C 0.398 177.279 176.870 0.018 0.000 1.182 93 L CA 0.609 55.459 54.840 0.016 0.000 0.964 93 L CB -1.271 40.792 42.059 0.007 0.000 1.300 93 L HN -0.017 nan 8.230 nan 0.000 0.416 94 L N 1.350 122.591 121.223 0.030 0.000 2.597 94 L HA -0.007 4.333 4.340 -0.000 0.000 0.261 94 L C 0.647 177.539 176.870 0.037 0.000 1.389 94 L CA 0.037 54.897 54.840 0.033 0.000 1.203 94 L CB -1.699 40.394 42.059 0.056 0.000 1.401 94 L HN 0.284 nan 8.230 nan 0.000 0.443 95 T N 1.669 116.237 114.554 0.024 0.000 2.946 95 T HA -0.066 4.284 4.350 -0.000 0.000 0.312 95 T C 1.386 176.107 174.700 0.034 0.000 1.066 95 T CA -0.392 61.724 62.100 0.027 0.000 1.138 95 T CB 1.364 70.241 68.868 0.015 0.000 1.014 95 T HN 0.408 nan 8.240 nan 0.000 0.544 96 L N 3.760 125.011 121.223 0.047 0.000 1.997 96 L HA -0.274 4.066 4.340 -0.000 0.000 0.227 96 L C 2.349 179.241 176.870 0.038 0.000 1.087 96 L CA 2.082 56.958 54.840 0.059 0.000 0.797 96 L CB -0.927 41.169 42.059 0.062 0.000 0.902 96 L HN 0.831 nan 8.230 nan 0.000 0.441 97 E N -0.835 119.380 120.200 0.024 0.000 2.169 97 E HA -0.304 4.046 4.350 -0.000 0.000 0.202 97 E C 1.956 178.550 176.600 -0.010 0.000 1.016 97 E CA 1.791 58.195 56.400 0.006 0.000 0.817 97 E CB -0.277 29.424 29.700 0.002 0.000 0.736 97 E HN 0.702 nan 8.360 nan 0.000 0.462 98 E N 0.847 121.043 120.200 -0.007 0.000 2.004 98 E HA -0.159 4.191 4.350 -0.000 0.000 0.192 98 E C 2.102 178.682 176.600 -0.034 0.000 0.987 98 E CA 0.820 57.206 56.400 -0.023 0.000 0.822 98 E CB -0.041 29.650 29.700 -0.016 0.000 0.779 98 E HN 0.222 nan 8.360 nan 0.000 0.458 99 E N 0.481 120.672 120.200 -0.014 0.000 2.095 99 E HA -0.292 4.058 4.350 -0.000 0.000 0.212 99 E C 2.190 178.752 176.600 -0.063 0.000 1.044 99 E CA 1.877 58.253 56.400 -0.039 0.000 0.857 99 E CB -0.409 29.305 29.700 0.023 0.000 0.764 99 E HN 0.041 nan 8.360 nan 0.000 0.462 100 V N 1.337 121.239 119.914 -0.020 0.000 2.227 100 V HA -0.395 3.725 4.120 -0.000 0.000 0.249 100 V C 2.470 178.471 176.094 -0.155 0.000 1.046 100 V CA 2.517 64.790 62.300 -0.044 0.000 1.015 100 V CB -0.854 30.966 31.823 -0.006 0.000 0.648 100 V HN 0.452 nan 8.190 nan 0.000 0.460 101 E N -0.458 119.670 120.200 -0.119 0.000 2.132 101 E HA -0.357 3.993 4.350 -0.000 0.000 0.218 101 E C 2.170 178.668 176.600 -0.169 0.000 1.058 101 E CA 2.518 58.835 56.400 -0.138 0.000 0.882 101 E CB -0.348 29.301 29.700 -0.084 0.000 0.774 101 E HN 0.343 nan 8.360 nan 0.000 0.467 102 L N 1.046 122.192 121.223 -0.128 0.000 1.997 102 L HA -0.229 4.111 4.340 -0.000 0.000 0.216 102 L C 2.465 179.239 176.870 -0.160 0.000 1.074 102 L CA 2.549 57.321 54.840 -0.113 0.000 0.763 102 L CB -1.462 40.544 42.059 -0.088 0.000 0.890 102 L HN 0.328 nan 8.230 nan 0.000 0.434 103 A N 0.511 123.210 122.820 -0.201 0.000 1.859 103 A HA -0.365 3.955 4.320 -0.000 0.000 0.218 103 A C 2.319 179.700 177.584 -0.338 0.000 1.242 103 A CA 3.175 55.091 52.037 -0.201 0.000 0.661 103 A CB -0.977 17.949 19.000 -0.123 0.000 0.842 103 A HN 0.666 nan 8.150 nan 0.000 0.455 104 R N -0.452 119.576 120.500 -0.786 0.000 2.103 104 R HA -0.194 4.146 4.340 -0.000 0.000 0.242 104 R C 2.003 178.163 176.300 -0.233 0.000 1.142 104 R CA 1.884 57.562 56.100 -0.704 0.000 0.960 104 R CB -0.605 29.212 30.300 -0.805 0.000 0.858 104 R HN 0.514 nan 8.270 nan 0.000 0.439 105 K N 0.640 120.926 120.400 -0.188 0.000 2.113 105 K HA -0.137 4.183 4.320 -0.000 0.000 0.208 105 K C 2.119 178.694 176.600 -0.042 0.000 1.047 105 K CA 1.948 58.186 56.287 -0.081 0.000 0.928 105 K CB -0.136 32.327 32.500 -0.061 0.000 0.716 105 K HN 0.136 nan 8.250 nan 0.000 0.446 106 V N 1.079 120.961 119.914 -0.052 0.000 2.239 106 V HA -0.192 3.928 4.120 -0.000 0.000 0.242 106 V C 2.182 178.280 176.094 0.007 0.000 1.038 106 V CA 1.465 63.757 62.300 -0.014 0.000 1.002 106 V CB -0.510 31.307 31.823 -0.010 0.000 0.641 106 V HN 0.305 nan 8.190 nan 0.000 0.449 107 E N 0.254 120.466 120.200 0.021 0.000 2.068 107 E HA -0.341 4.009 4.350 -0.000 0.000 0.207 107 E C 2.258 178.880 176.600 0.038 0.000 1.032 107 E CA 2.358 58.792 56.400 0.057 0.000 0.839 107 E CB -0.197 29.588 29.700 0.141 0.000 0.758 107 E HN 0.681 nan 8.360 nan 0.000 0.457 108 E N -0.735 119.485 120.200 0.033 0.000 2.097 108 E HA -0.192 4.158 4.350 -0.000 0.000 0.196 108 E C 2.073 178.689 176.600 0.026 0.000 1.000 108 E CA 0.960 57.379 56.400 0.032 0.000 0.804 108 E CB -0.330 29.392 29.700 0.036 0.000 0.740 108 E HN 0.392 nan 8.360 nan 0.000 0.454 109 G N 1.530 110.345 108.800 0.024 0.000 2.469 109 G HA2 -0.338 3.622 3.960 -0.000 0.000 0.220 109 G HA3 -0.338 3.622 3.960 -0.000 0.000 0.220 109 G C 1.496 176.403 174.900 0.011 0.000 1.136 109 G CA 1.102 46.218 45.100 0.026 0.000 0.759 109 G HN 0.210 nan 8.290 nan 0.000 0.562 110 M N 0.269 119.873 119.600 0.006 0.000 2.059 110 M HA -0.021 4.459 4.480 -0.000 0.000 0.259 110 M C 2.391 178.676 176.300 -0.025 0.000 1.072 110 M CA 2.279 57.577 55.300 -0.003 0.000 1.117 110 M CB -0.375 32.229 32.600 0.007 0.000 1.320 110 M HN 0.228 nan 8.290 nan 0.000 0.408 111 E N 0.662 120.843 120.200 -0.031 0.000 2.171 111 E HA -0.202 4.148 4.350 -0.000 0.000 0.197 111 E C 1.991 178.511 176.600 -0.134 0.000 0.997 111 E CA 1.643 58.001 56.400 -0.070 0.000 0.810 111 E CB -0.293 29.372 29.700 -0.059 0.000 0.738 111 E HN 0.690 nan 8.360 nan 0.000 0.467 112 A N 1.053 123.807 122.820 -0.111 0.000 1.841 112 A HA -0.238 4.082 4.320 -0.000 0.000 0.216 112 A C 2.181 179.691 177.584 -0.124 0.000 1.199 112 A CA 1.699 53.645 52.037 -0.152 0.000 0.621 112 A CB -0.878 18.130 19.000 0.013 0.000 0.835 112 A HN 0.225 nan 8.150 nan 0.000 0.445 113 I N -0.121 120.417 120.570 -0.052 0.000 2.300 113 I HA -0.380 3.790 4.170 -0.000 0.000 0.252 113 I C 2.418 178.501 176.117 -0.057 0.000 1.119 113 I CA 1.927 63.205 61.300 -0.037 0.000 1.384 113 I CB -0.418 37.570 38.000 -0.020 0.000 1.062 113 I HN 0.377 nan 8.210 nan 0.000 0.426 114 K N 0.664 121.017 120.400 -0.078 0.000 1.978 114 K HA -0.183 4.137 4.320 -0.000 0.000 0.214 114 K C 2.218 178.756 176.600 -0.102 0.000 1.049 114 K CA 1.191 57.431 56.287 -0.080 0.000 0.939 114 K CB -0.249 32.200 32.500 -0.085 0.000 0.721 114 K HN 0.132 nan 8.250 nan 0.000 0.441 115 K N 1.311 121.606 120.400 -0.175 0.000 1.987 115 K HA -0.160 4.160 4.320 -0.000 0.000 0.216 115 K C 2.305 178.842 176.600 -0.103 0.000 1.051 115 K CA 1.479 57.649 56.287 -0.196 0.000 0.942 115 K CB -0.850 31.375 32.500 -0.459 0.000 0.722 115 K HN 0.133 nan 8.250 nan 0.000 0.444 116 L N 1.265 122.442 121.223 -0.076 0.000 1.987 116 L HA -0.343 3.996 4.340 -0.000 0.000 0.230 116 L C 2.721 179.575 176.870 -0.026 0.000 1.089 116 L CA 2.348 57.180 54.840 -0.013 0.000 0.802 116 L CB -1.304 40.758 42.059 0.006 0.000 0.905 116 L HN 0.298 nan 8.230 nan 0.000 0.441 117 S N -0.507 115.175 115.700 -0.031 0.000 2.374 117 S HA -0.313 4.157 4.470 -0.000 0.000 0.227 117 S C 1.828 176.409 174.600 -0.032 0.000 1.037 117 S CA 1.741 59.925 58.200 -0.026 0.000 1.024 117 S CB -0.688 62.497 63.200 -0.025 0.000 0.861 117 S HN 0.675 nan 8.310 nan 0.000 0.456 118 E N 1.496 121.671 120.200 -0.042 0.000 2.072 118 E HA -0.097 4.253 4.350 -0.000 0.000 0.191 118 E C 1.888 178.458 176.600 -0.049 0.000 0.985 118 E CA 1.242 57.616 56.400 -0.043 0.000 0.801 118 E CB -0.328 29.342 29.700 -0.050 0.000 0.750 118 E HN 0.722 nan 8.360 nan 0.000 0.452 119 I N 1.058 121.592 120.570 -0.059 0.000 3.564 119 I HA -0.041 4.129 4.170 -0.000 0.000 0.294 119 I C 0.901 176.972 176.117 -0.076 0.000 1.289 119 I CA 0.708 61.955 61.300 -0.090 0.000 1.325 119 I CB 0.213 38.148 38.000 -0.110 0.000 1.039 119 I HN 0.111 nan 8.210 nan 0.000 0.474 120 T N -1.337 113.190 114.554 -0.045 0.000 3.041 120 T HA 0.227 4.577 4.350 -0.000 0.000 0.276 120 T C 1.456 176.141 174.700 -0.024 0.000 0.948 120 T CA 0.345 62.426 62.100 -0.031 0.000 0.885 120 T CB 1.086 69.942 68.868 -0.019 0.000 1.175 120 T HN 0.347 nan 8.240 nan 0.000 0.529 121 G N 2.318 111.102 108.800 -0.026 0.000 2.175 121 G HA2 -0.266 3.694 3.960 -0.000 0.000 0.265 121 G HA3 -0.266 3.694 3.960 -0.000 0.000 0.265 121 G C 0.063 174.954 174.900 -0.015 0.000 0.979 121 G CA 0.272 45.360 45.100 -0.020 0.000 0.663 121 G HN 0.559 nan 8.290 nan 0.000 0.533 122 L N 1.228 122.442 121.223 -0.015 0.000 2.305 122 L HA 0.306 4.646 4.340 -0.000 0.000 0.281 122 L C 0.032 176.896 176.870 -0.010 0.000 1.085 122 L CA -1.077 53.757 54.840 -0.011 0.000 0.813 122 L CB 0.662 42.716 42.059 -0.009 0.000 1.157 122 L HN 0.018 nan 8.230 nan 0.000 0.436 123 D N 4.747 125.142 120.400 -0.008 0.000 2.662 123 D HA -0.062 4.578 4.640 -0.000 0.000 0.237 123 D C -1.441 174.855 176.300 -0.007 0.000 1.154 123 D CA -0.547 53.449 54.000 -0.007 0.000 0.861 123 D CB 0.954 41.752 40.800 -0.004 0.000 1.146 123 D HN 0.329 nan 8.370 nan 0.000 0.518 124 P HA -0.260 nan 4.420 nan 0.000 0.216 124 P C 1.251 178.548 177.300 -0.006 0.000 1.167 124 P CA 1.510 64.604 63.100 -0.011 0.000 0.933 124 P CB 0.112 31.804 31.700 -0.012 0.000 0.793 125 D N -0.091 120.307 120.400 -0.004 0.000 2.126 125 D HA -0.225 4.415 4.640 -0.000 0.000 0.190 125 D C 1.985 178.284 176.300 -0.001 0.000 1.001 125 D CA 1.338 55.337 54.000 -0.001 0.000 0.841 125 D CB -1.272 39.529 40.800 0.001 0.000 0.949 125 D HN 0.092 nan 8.370 nan 0.000 0.446 126 L N 0.763 121.985 121.223 -0.002 0.000 2.089 126 L HA -0.192 4.148 4.340 -0.000 0.000 0.213 126 L C 2.353 179.222 176.870 -0.002 0.000 1.079 126 L CA 1.442 56.282 54.840 -0.001 0.000 0.758 126 L CB -0.491 41.567 42.059 -0.002 0.000 0.891 126 L HN 0.113 nan 8.230 nan 0.000 0.433 127 I N -0.241 120.327 120.570 -0.003 0.000 2.141 127 I HA -0.248 3.921 4.170 -0.000 0.000 0.236 127 I C 2.663 178.778 176.117 -0.003 0.000 1.071 127 I CA 1.469 62.767 61.300 -0.004 0.000 1.345 127 I CB -0.514 37.483 38.000 -0.005 0.000 1.066 127 I HN 0.300 nan 8.210 nan 0.000 0.406 128 R N 1.195 121.694 120.500 -0.003 0.000 2.249 128 R HA -0.226 4.114 4.340 -0.000 0.000 0.230 128 R C 1.833 178.132 176.300 -0.002 0.000 1.121 128 R CA 1.637 57.736 56.100 -0.002 0.000 0.997 128 R CB -0.584 29.715 30.300 -0.002 0.000 0.867 128 R HN 0.322 nan 8.270 nan 0.000 0.465 129 E N 1.612 121.811 120.200 -0.001 0.000 2.106 129 E HA -0.107 4.242 4.350 -0.000 0.000 0.192 129 E C 1.722 178.322 176.600 -0.000 0.000 0.984 129 E CA 1.535 57.935 56.400 -0.000 0.000 0.806 129 E CB 0.009 29.710 29.700 0.001 0.000 0.750 129 E HN 0.253 nan 8.360 nan 0.000 0.458 130 V N -0.356 119.557 119.914 -0.001 0.000 2.426 130 V HA -0.118 4.002 4.120 -0.000 0.000 0.242 130 V C 2.443 178.535 176.094 -0.003 0.000 1.036 130 V CA 1.068 63.367 62.300 -0.002 0.000 1.044 130 V CB -0.358 31.463 31.823 -0.003 0.000 0.688 130 V HN 0.144 nan 8.190 nan 0.000 0.462 131 V N 0.650 120.562 119.914 -0.003 0.000 2.226 131 V HA -0.403 3.717 4.120 -0.000 0.000 0.254 131 V C 2.605 178.697 176.094 -0.003 0.000 1.065 131 V CA 2.669 64.967 62.300 -0.003 0.000 1.039 131 V CB -0.936 30.886 31.823 -0.001 0.000 0.653 131 V HN 0.489 nan 8.190 nan 0.000 0.450 132 R N -0.071 120.427 120.500 -0.004 0.000 2.148 132 R HA -0.246 4.094 4.340 -0.000 0.000 0.230 132 R C 2.483 178.780 176.300 -0.005 0.000 1.120 132 R CA 1.791 57.887 56.100 -0.006 0.000 0.902 132 R CB -1.133 29.163 30.300 -0.007 0.000 0.839 132 R HN 0.539 nan 8.270 nan 0.000 0.431 133 A N 1.948 124.766 122.820 -0.003 0.000 1.920 133 A HA -0.330 3.990 4.320 -0.000 0.000 0.229 133 A C 2.009 179.591 177.584 -0.002 0.000 1.516 133 A CA 2.473 54.509 52.037 -0.002 0.000 0.714 133 A CB -0.694 18.306 19.000 -0.000 0.000 0.845 133 A HN 0.241 nan 8.150 nan 0.000 0.493 134 K N -0.634 119.765 120.400 -0.001 0.000 2.152 134 K HA -0.045 4.275 4.320 -0.000 0.000 0.206 134 K C 1.852 178.453 176.600 0.003 0.000 1.048 134 K CA 1.569 57.856 56.287 0.001 0.000 0.933 134 K CB -0.539 31.962 32.500 0.001 0.000 0.721 134 K HN 0.748 nan 8.250 nan 0.000 0.447 135 I N 0.473 121.043 120.570 0.001 0.000 2.480 135 I HA -0.130 4.040 4.170 -0.000 0.000 0.251 135 I C 1.806 177.920 176.117 -0.006 0.000 1.124 135 I CA 0.464 61.764 61.300 0.001 0.000 1.444 135 I CB -0.198 37.801 38.000 -0.002 0.000 1.098 135 I HN -0.052 nan 8.210 nan 0.000 0.428 136 L N 1.463 122.680 121.223 -0.009 0.000 2.633 136 L HA 0.088 4.428 4.340 -0.000 0.000 0.235 136 L C 1.026 177.893 176.870 -0.006 0.000 1.163 136 L CA 0.200 55.033 54.840 -0.011 0.000 0.859 136 L CB -1.546 40.507 42.059 -0.009 0.000 0.973 136 L HN 0.436 nan 8.230 nan 0.000 0.451 137 G N -0.479 108.319 108.800 -0.004 0.000 2.801 137 G HA2 -0.264 3.696 3.960 -0.000 0.000 0.686 137 G HA3 -0.264 3.696 3.960 -0.000 0.000 0.686 137 G C 0.338 175.234 174.900 -0.006 0.000 1.507 137 G CA -0.090 45.009 45.100 -0.003 0.000 0.980 137 G HN 0.086 nan 8.290 nan 0.000 0.589 138 S N 0.540 116.234 115.700 -0.009 0.000 2.603 138 S HA 0.291 4.761 4.470 -0.000 0.000 0.220 138 S C 2.485 177.071 174.600 -0.023 0.000 0.967 138 S CA 1.307 59.498 58.200 -0.015 0.000 0.920 138 S CB -0.304 62.886 63.200 -0.017 0.000 0.773 138 S HN 1.759 nan 8.310 nan 0.000 0.529 139 A N 1.211 124.019 122.820 -0.019 0.000 2.067 139 A HA 0.010 4.330 4.320 -0.000 0.000 0.219 139 A C 2.032 179.605 177.584 -0.018 0.000 1.158 139 A CA 1.042 53.066 52.037 -0.022 0.000 0.661 139 A CB -0.288 18.704 19.000 -0.014 0.000 0.801 139 A HN 0.519 nan 8.150 nan 0.000 0.452 140 R N 0.111 120.605 120.500 -0.011 0.000 2.254 140 R HA 0.095 4.434 4.340 -0.000 0.000 0.193 140 R C 0.338 176.639 176.300 0.000 0.000 0.929 140 R CA 0.676 56.774 56.100 -0.003 0.000 1.038 140 R CB -0.129 30.170 30.300 -0.001 0.000 1.009 140 R HN 0.358 nan 8.270 nan 0.000 0.512 141 V N 3.070 122.981 119.914 -0.004 0.000 2.583 141 V HA -0.047 4.073 4.120 -0.000 0.000 0.302 141 V C 0.170 176.275 176.094 0.018 0.000 1.033 141 V CA -0.289 62.013 62.300 0.003 0.000 1.194 141 V CB -0.446 31.375 31.823 -0.002 0.000 0.879 141 V HN 0.367 nan 8.190 nan 0.000 0.482 142 R N 2.818 123.336 120.500 0.031 0.000 2.638 142 R HA -0.091 4.249 4.340 -0.000 0.000 0.351 142 R C 0.925 177.288 176.300 0.104 0.000 0.871 142 R CA 0.151 56.284 56.100 0.056 0.000 1.091 142 R CB -0.229 30.094 30.300 0.039 0.000 0.900 142 R HN 0.915 nan 8.270 nan 0.000 0.405 143 H N 3.883 122.953 119.070 -0.000 0.000 2.466 143 H HA -0.141 4.415 4.556 -0.000 0.000 0.297 143 H C 0.631 175.959 175.328 -0.001 0.000 1.113 143 H CA 1.793 57.841 56.048 -0.000 0.000 1.273 143 H CB 0.157 29.919 29.762 -0.000 0.000 1.371 143 H HN 0.753 nan 8.280 nan 0.000 0.528 144 I N -2.334 118.298 120.570 0.102 0.000 2.641 144 I HA 0.265 4.435 4.170 -0.000 0.000 0.275 144 I C -2.049 174.081 176.117 0.023 0.000 1.129 144 I CA -1.900 59.412 61.300 0.020 0.000 1.094 144 I CB 2.177 40.148 38.000 -0.048 0.000 1.232 144 I HN -0.267 nan 8.210 nan 0.000 0.503 145 P HA -0.125 nan 4.420 nan 0.000 0.216 145 P C 0.874 178.180 177.300 0.009 0.000 1.154 145 P CA 2.111 65.222 63.100 0.019 0.000 0.865 145 P CB 0.229 31.939 31.700 0.018 0.000 0.789 146 G N -1.494 107.308 108.800 0.004 0.000 4.529 146 G HA2 0.284 4.244 3.960 -0.000 0.000 0.230 146 G HA3 0.284 4.244 3.960 -0.000 0.000 0.230 146 G C -0.301 174.596 174.900 -0.006 0.000 3.287 146 G CA -0.539 44.560 45.100 -0.002 0.000 0.646 146 G HN 0.133 nan 8.290 nan 0.000 0.205 147 L N 0.203 121.419 121.223 -0.012 0.000 3.664 147 L HA -0.235 4.105 4.340 -0.000 0.000 0.560 147 L C 1.044 177.909 176.870 -0.009 0.000 1.285 147 L CA 1.114 55.943 54.840 -0.017 0.000 0.864 147 L CB -0.968 41.080 42.059 -0.019 0.000 1.512 147 L HN 0.764 nan 8.230 nan 0.000 0.853 148 K N -1.675 118.724 120.400 -0.003 0.000 3.434 148 K HA -0.193 4.127 4.320 -0.000 0.000 0.303 148 K C 1.219 177.822 176.600 0.005 0.000 1.351 148 K CA 1.240 57.529 56.287 0.004 0.000 0.900 148 K CB -0.764 31.736 32.500 0.001 0.000 1.385 148 K HN 0.675 nan 8.250 nan 0.000 0.477 149 E N 0.573 120.776 120.200 0.005 0.000 1.998 149 E HA -0.078 4.271 4.350 -0.000 0.000 0.196 149 E C 0.071 176.676 176.600 0.007 0.000 1.003 149 E CA 1.420 57.823 56.400 0.005 0.000 0.829 149 E CB 0.165 29.868 29.700 0.005 0.000 0.777 149 E HN 0.220 nan 8.360 nan 0.000 0.460 150 T N 1.777 116.337 114.554 0.010 0.000 2.743 150 T HA 0.291 4.641 4.350 -0.000 0.000 0.292 150 T C 0.069 174.778 174.700 0.014 0.000 0.972 150 T CA -0.302 61.804 62.100 0.010 0.000 0.967 150 T CB 0.686 69.560 68.868 0.010 0.000 0.926 150 T HN 0.097 nan 8.240 nan 0.000 0.459 151 L N 4.189 125.419 121.223 0.012 0.000 2.449 151 L HA 0.030 4.370 4.340 -0.000 0.000 0.266 151 L C 0.946 177.825 176.870 0.014 0.000 1.321 151 L CA -0.230 54.619 54.840 0.014 0.000 1.194 151 L CB -0.292 41.773 42.059 0.011 0.000 1.384 151 L HN 0.660 nan 8.230 nan 0.000 0.438 152 D N 1.906 122.317 120.400 0.019 0.000 2.265 152 D HA -0.121 4.519 4.640 -0.000 0.000 0.208 152 D C -0.528 175.779 176.300 0.011 0.000 0.977 152 D CA 1.030 55.039 54.000 0.015 0.000 0.871 152 D CB -0.408 40.405 40.800 0.021 0.000 0.925 152 D HN 0.473 nan 8.370 nan 0.000 0.485 153 P HA 0.014 nan 4.420 nan 0.000 0.218 153 P C 1.165 178.469 177.300 0.008 0.000 1.147 153 P CA 0.819 63.925 63.100 0.010 0.000 0.863 153 P CB 0.752 32.462 31.700 0.017 0.000 0.812 154 K N -0.265 120.140 120.400 0.009 0.000 2.786 154 K HA 0.143 4.463 4.320 -0.000 0.000 0.224 154 K C 2.143 178.746 176.600 0.006 0.000 1.089 154 K CA 0.832 57.123 56.287 0.007 0.000 1.162 154 K CB -1.407 31.097 32.500 0.008 0.000 1.585 154 K HN -0.248 nan 8.250 nan 0.000 0.466 155 T N 2.565 117.122 114.554 0.006 0.000 2.812 155 T HA -0.217 4.133 4.350 -0.000 0.000 0.261 155 T C 2.061 176.763 174.700 0.003 0.000 1.031 155 T CA 2.091 64.194 62.100 0.004 0.000 1.158 155 T CB -0.946 67.925 68.868 0.005 0.000 0.836 155 T HN 0.264 nan 8.240 nan 0.000 0.488 156 V N 0.910 120.826 119.914 0.004 0.000 2.214 156 V HA -0.262 3.858 4.120 -0.000 0.000 0.247 156 V C 2.301 178.396 176.094 0.001 0.000 1.051 156 V CA 2.114 64.415 62.300 0.002 0.000 1.003 156 V CB -1.188 30.636 31.823 0.003 0.000 0.635 156 V HN 0.274 nan 8.190 nan 0.000 0.447 157 E N 0.796 120.997 120.200 0.001 0.000 2.035 157 E HA -0.221 4.129 4.350 -0.000 0.000 0.204 157 E C 2.088 178.689 176.600 0.001 0.000 1.025 157 E CA 2.005 58.405 56.400 0.001 0.000 0.835 157 E CB -0.747 28.954 29.700 0.002 0.000 0.764 157 E HN 0.806 nan 8.360 nan 0.000 0.457 158 E N 0.147 120.348 120.200 0.002 0.000 2.246 158 E HA -0.300 4.050 4.350 -0.000 0.000 0.232 158 E C 1.985 178.585 176.600 0.001 0.000 1.087 158 E CA 1.713 58.114 56.400 0.002 0.000 0.964 158 E CB -0.470 29.231 29.700 0.002 0.000 0.827 158 E HN 0.162 nan 8.360 nan 0.000 0.476 159 I N 1.744 122.314 120.570 -0.000 0.000 2.077 159 I HA -0.333 3.837 4.170 -0.000 0.000 0.231 159 I C 1.963 178.078 176.117 -0.003 0.000 1.011 159 I CA 2.065 63.364 61.300 -0.002 0.000 1.304 159 I CB -1.707 36.292 38.000 -0.002 0.000 1.019 159 I HN 0.142 nan 8.210 nan 0.000 0.388 160 D N 0.368 120.765 120.400 -0.005 0.000 2.421 160 D HA -0.299 4.341 4.640 -0.000 0.000 0.195 160 D C 2.064 178.360 176.300 -0.007 0.000 1.022 160 D CA 2.152 56.147 54.000 -0.009 0.000 0.871 160 D CB -0.404 40.392 40.800 -0.007 0.000 1.026 160 D HN 0.365 nan 8.370 nan 0.000 0.462 161 Q N 0.373 120.172 119.800 -0.002 0.000 2.173 161 Q HA -0.169 4.171 4.340 -0.000 0.000 0.208 161 Q C 1.909 177.911 176.000 0.004 0.000 0.989 161 Q CA 1.372 57.176 55.803 0.002 0.000 0.872 161 Q CB -0.142 28.599 28.738 0.004 0.000 0.909 161 Q HN 0.334 nan 8.270 nan 0.000 0.420 162 K N -0.164 120.237 120.400 0.003 0.000 2.002 162 K HA -0.103 4.217 4.320 -0.000 0.000 0.209 162 K C 2.058 178.663 176.600 0.009 0.000 1.048 162 K CA 1.373 57.663 56.287 0.006 0.000 0.930 162 K CB -0.346 32.156 32.500 0.003 0.000 0.714 162 K HN 0.194 nan 8.250 nan 0.000 0.438 163 L N 1.121 122.345 121.223 0.002 0.000 1.970 163 L HA -0.234 4.106 4.340 -0.000 0.000 0.212 163 L C 2.295 179.164 176.870 -0.002 0.000 1.071 163 L CA 1.611 56.451 54.840 0.000 0.000 0.751 163 L CB -0.798 41.251 42.059 -0.018 0.000 0.889 163 L HN 0.111 nan 8.230 nan 0.000 0.432 164 K N 0.701 121.093 120.400 -0.014 0.000 2.152 164 K HA -0.129 4.191 4.320 -0.000 0.000 0.206 164 K C 2.087 178.694 176.600 0.011 0.000 1.048 164 K CA 1.720 58.002 56.287 -0.009 0.000 0.933 164 K CB -0.368 32.129 32.500 -0.005 0.000 0.721 164 K HN 0.455 nan 8.250 nan 0.000 0.447 165 S N 0.741 116.450 115.700 0.015 0.000 2.660 165 S HA 0.059 4.529 4.470 -0.000 0.000 0.223 165 S C 0.687 175.308 174.600 0.035 0.000 0.963 165 S CA -0.075 58.138 58.200 0.021 0.000 0.932 165 S CB -0.416 62.794 63.200 0.017 0.000 0.775 165 S HN 0.095 nan 8.310 nan 0.000 0.531 166 L N 1.663 122.914 121.223 0.046 0.000 2.375 166 L HA 0.442 4.782 4.340 -0.000 0.000 0.271 166 L C -2.322 174.594 176.870 0.077 0.000 1.107 166 L CA -2.604 52.291 54.840 0.092 0.000 0.806 166 L CB 0.519 42.655 42.059 0.127 0.000 1.146 166 L HN -0.018 nan 8.230 nan 0.000 0.447 167 P HA 0.012 nan 4.420 nan 0.000 0.266 167 P C 0.153 177.374 177.300 -0.133 0.000 1.193 167 P CA -0.022 63.061 63.100 -0.029 0.000 0.770 167 P CB 0.568 32.235 31.700 -0.055 0.000 0.836 168 K N 1.949 122.274 120.400 -0.126 0.000 2.013 168 K HA -0.312 4.008 4.320 -0.000 0.000 0.225 168 K C 1.708 178.167 176.600 -0.234 0.000 1.056 168 K CA 2.340 58.550 56.287 -0.129 0.000 0.971 168 K CB -0.536 31.898 32.500 -0.109 0.000 0.731 168 K HN 0.497 nan 8.250 nan 0.000 0.450 169 E N -0.087 119.901 120.200 -0.354 0.000 2.233 169 E HA -0.242 4.108 4.350 -0.000 0.000 0.210 169 E C 1.886 178.204 176.600 -0.470 0.000 1.046 169 E CA 2.008 58.142 56.400 -0.444 0.000 0.844 169 E CB -0.405 28.980 29.700 -0.525 0.000 0.741 169 E HN 0.520 nan 8.360 nan 0.000 0.465 170 H N -0.578 118.420 119.070 -0.120 0.000 2.439 170 H HA 0.210 4.766 4.556 -0.000 0.000 0.299 170 H C 1.770 177.055 175.328 -0.071 0.000 1.033 170 H CA 0.919 56.939 56.048 -0.048 0.000 1.348 170 H CB -0.299 29.495 29.762 0.054 0.000 1.449 170 H HN 0.090 nan 8.280 nan 0.000 0.544 171 K N 1.900 122.312 120.400 0.021 0.000 2.281 171 K HA -0.157 4.162 4.320 -0.000 0.000 0.203 171 K C 2.286 178.865 176.600 -0.035 0.000 1.046 171 K CA 1.087 57.367 56.287 -0.012 0.000 0.938 171 K CB 0.210 32.712 32.500 0.003 0.000 0.737 171 K HN 0.336 nan 8.250 nan 0.000 0.458 172 R N -0.893 119.559 120.500 -0.081 0.000 2.081 172 R HA -0.167 4.173 4.340 -0.000 0.000 0.235 172 R C 1.827 178.134 176.300 0.012 0.000 1.131 172 R CA 1.730 57.821 56.100 -0.016 0.000 0.960 172 R CB -1.075 29.097 30.300 -0.213 0.000 0.856 172 R HN 0.255 nan 8.270 nan 0.000 0.436 173 Y N 1.185 121.523 120.300 0.064 0.000 2.315 173 Y HA -0.226 4.324 4.550 -0.000 0.000 0.288 173 Y C 2.378 178.282 175.900 0.006 0.000 1.154 173 Y CA 0.472 58.597 58.100 0.041 0.000 1.229 173 Y CB -0.207 38.277 38.460 0.041 0.000 0.980 173 Y HN 0.131 nan 8.280 nan 0.000 0.540 174 L N 0.097 121.368 121.223 0.079 0.000 1.955 174 L HA -0.266 4.074 4.340 -0.000 0.000 0.213 174 L C 2.294 179.120 176.870 -0.073 0.000 1.072 174 L CA 1.960 56.763 54.840 -0.062 0.000 0.755 174 L CB -1.347 40.572 42.059 -0.233 0.000 0.888 174 L HN 0.227 nan 8.230 nan 0.000 0.432 175 H N 0.081 119.176 119.070 0.042 0.000 2.357 175 H HA -0.185 4.371 4.556 -0.000 0.000 0.296 175 H C 2.441 177.791 175.328 0.038 0.000 1.108 175 H CA 2.247 58.312 56.048 0.028 0.000 1.273 175 H CB -0.513 29.254 29.762 0.008 0.000 1.367 175 H HN 0.452 nan 8.280 nan 0.000 0.498 176 I N 0.749 121.424 120.570 0.175 0.000 2.163 176 I HA -0.271 3.899 4.170 -0.000 0.000 0.243 176 I C 2.909 179.082 176.117 0.094 0.000 1.085 176 I CA 1.138 62.517 61.300 0.133 0.000 1.347 176 I CB -0.415 37.690 38.000 0.175 0.000 1.044 176 I HN 0.179 nan 8.210 nan 0.000 0.408 177 A N 0.637 123.508 122.820 0.085 0.000 1.902 177 A HA -0.185 4.135 4.320 -0.000 0.000 0.217 177 A C 2.412 180.019 177.584 0.039 0.000 1.181 177 A CA 1.251 53.318 52.037 0.050 0.000 0.623 177 A CB -0.470 18.553 19.000 0.038 0.000 0.818 177 A HN 0.239 nan 8.150 nan 0.000 0.443 178 R N -0.085 120.442 120.500 0.044 0.000 2.132 178 R HA -0.193 4.147 4.340 -0.000 0.000 0.233 178 R C 2.008 178.338 176.300 0.049 0.000 1.125 178 R CA 2.110 58.236 56.100 0.043 0.000 0.914 178 R CB -0.957 29.383 30.300 0.066 0.000 0.845 178 R HN 0.753 nan 8.270 nan 0.000 0.431 179 E N -0.712 119.527 120.200 0.064 0.000 2.110 179 E HA -0.117 4.233 4.350 -0.000 0.000 0.193 179 E C 2.007 178.634 176.600 0.044 0.000 0.988 179 E CA 0.962 57.396 56.400 0.058 0.000 0.804 179 E CB -0.296 29.437 29.700 0.056 0.000 0.745 179 E HN 0.518 nan 8.360 nan 0.000 0.458 180 G N 1.636 110.458 108.800 0.037 0.000 2.545 180 G HA2 -0.374 3.586 3.960 -0.000 0.000 0.217 180 G HA3 -0.374 3.586 3.960 -0.000 0.000 0.217 180 G C 1.546 176.454 174.900 0.014 0.000 1.218 180 G CA 1.199 46.312 45.100 0.022 0.000 0.787 180 G HN 0.206 nan 8.290 nan 0.000 0.571 181 E N 1.088 121.295 120.200 0.012 0.000 2.110 181 E HA 0.022 4.372 4.350 -0.000 0.000 0.193 181 E C 2.657 179.247 176.600 -0.017 0.000 0.988 181 E CA 1.522 57.920 56.400 -0.003 0.000 0.804 181 E CB -0.672 29.026 29.700 -0.003 0.000 0.745 181 E HN 0.314 nan 8.360 nan 0.000 0.458 182 A N 1.038 123.857 122.820 -0.002 0.000 1.877 182 A HA -0.055 4.265 4.320 -0.000 0.000 0.216 182 A C 2.502 180.077 177.584 -0.016 0.000 1.186 182 A CA 2.346 54.372 52.037 -0.019 0.000 0.620 182 A CB -1.271 17.755 19.000 0.043 0.000 0.822 182 A HN 0.399 nan 8.150 nan 0.000 0.443 183 A N 0.067 122.930 122.820 0.072 0.000 1.881 183 A HA -0.308 4.012 4.320 -0.000 0.000 0.219 183 A C 2.203 179.819 177.584 0.053 0.000 1.215 183 A CA 2.578 54.689 52.037 0.123 0.000 0.648 183 A CB -0.823 18.204 19.000 0.046 0.000 0.832 183 A HN 0.645 nan 8.150 nan 0.000 0.455 184 R N -1.016 119.481 120.500 -0.006 0.000 2.206 184 R HA -0.322 4.018 4.340 -0.000 0.000 0.240 184 R C 2.366 178.636 176.300 -0.049 0.000 1.117 184 R CA 2.548 58.631 56.100 -0.029 0.000 0.915 184 R CB -0.605 29.679 30.300 -0.028 0.000 0.888 184 R HN 0.623 nan 8.270 nan 0.000 0.432 185 Q N -0.215 119.518 119.800 -0.112 0.000 2.007 185 Q HA -0.279 4.060 4.340 -0.000 0.000 0.214 185 Q C 2.131 178.055 176.000 -0.126 0.000 1.031 185 Q CA 2.301 58.005 55.803 -0.164 0.000 0.886 185 Q CB -1.300 27.256 28.738 -0.303 0.000 0.992 185 Q HN 0.666 nan 8.270 nan 0.000 0.415 186 H N 0.333 119.403 119.070 -0.001 0.000 2.260 186 H HA -0.193 4.363 4.556 -0.000 0.000 0.288 186 H C 2.262 177.587 175.328 -0.004 0.000 1.094 186 H CA 1.713 57.759 56.048 -0.003 0.000 1.197 186 H CB -0.832 28.923 29.762 -0.011 0.000 1.346 186 H HN 0.160 nan 8.280 nan 0.000 0.486 187 L N 1.208 122.496 121.223 0.108 0.000 1.997 187 L HA -0.205 4.135 4.340 -0.000 0.000 0.216 187 L C 2.546 179.453 176.870 0.061 0.000 1.074 187 L CA 1.415 56.271 54.840 0.027 0.000 0.763 187 L CB -1.173 40.838 42.059 -0.079 0.000 0.890 187 L HN 0.223 nan 8.230 nan 0.000 0.434 188 I N -0.684 119.916 120.570 0.050 0.000 2.039 188 I HA -0.378 3.792 4.170 -0.000 0.000 0.233 188 I C 2.351 178.510 176.117 0.072 0.000 1.040 188 I CA 1.776 63.119 61.300 0.071 0.000 1.308 188 I CB -0.774 37.247 38.000 0.035 0.000 1.035 188 I HN 0.286 nan 8.210 nan 0.000 0.392 189 E N 1.038 121.269 120.200 0.051 0.000 2.132 189 E HA -0.336 4.014 4.350 -0.000 0.000 0.218 189 E C 2.031 178.659 176.600 0.046 0.000 1.058 189 E CA 1.894 58.322 56.400 0.046 0.000 0.882 189 E CB -0.437 29.299 29.700 0.061 0.000 0.774 189 E HN 0.604 nan 8.360 nan 0.000 0.467 190 A N 0.299 123.160 122.820 0.068 0.000 2.292 190 A HA -0.142 4.178 4.320 -0.000 0.000 0.209 190 A C 1.322 178.954 177.584 0.079 0.000 1.209 190 A CA 1.015 53.091 52.037 0.066 0.000 0.746 190 A CB -0.167 18.876 19.000 0.072 0.000 0.764 190 A HN 0.216 nan 8.150 nan 0.000 0.492 191 N N -1.511 117.240 118.700 0.085 0.000 2.075 191 N HA 0.132 4.872 4.740 -0.000 0.000 0.226 191 N C 1.155 176.690 175.510 0.042 0.000 1.343 191 N CA 0.006 53.110 53.050 0.090 0.000 0.881 191 N CB 0.235 38.830 38.487 0.181 0.000 1.100 191 N HN 0.378 nan 8.380 nan 0.000 0.495 192 L N 1.182 122.421 121.223 0.027 0.000 2.151 192 L HA -0.202 4.138 4.340 -0.000 0.000 0.215 192 L C 2.599 179.460 176.870 -0.016 0.000 1.084 192 L CA 1.517 56.363 54.840 0.010 0.000 0.764 192 L CB -0.329 41.717 42.059 -0.022 0.000 0.891 192 L HN 0.140 nan 8.230 nan 0.000 0.435 193 R N 0.062 120.542 120.500 -0.033 0.000 2.092 193 R HA -0.156 4.184 4.340 -0.000 0.000 0.231 193 R C 2.365 178.663 176.300 -0.003 0.000 1.119 193 R CA 0.934 57.014 56.100 -0.032 0.000 0.970 193 R CB -0.158 30.123 30.300 -0.032 0.000 0.864 193 R HN 0.256 nan 8.270 nan 0.000 0.440 194 L N 1.165 122.388 121.223 0.001 0.000 2.042 194 L HA -0.154 4.186 4.340 -0.000 0.000 0.210 194 L C 2.019 178.880 176.870 -0.015 0.000 1.076 194 L CA 1.732 56.569 54.840 -0.005 0.000 0.749 194 L CB -0.801 41.246 42.059 -0.020 0.000 0.893 194 L HN 0.132 nan 8.230 nan 0.000 0.432 195 V N -0.385 119.517 119.914 -0.019 0.000 2.255 195 V HA -0.296 3.824 4.120 -0.000 0.000 0.247 195 V C 2.752 178.828 176.094 -0.031 0.000 1.051 195 V CA 1.690 63.967 62.300 -0.038 0.000 1.018 195 V CB -0.910 30.898 31.823 -0.024 0.000 0.641 195 V HN 0.294 nan 8.190 nan 0.000 0.445 196 V N 1.588 121.506 119.914 0.007 0.000 2.218 196 V HA -0.370 3.750 4.120 -0.000 0.000 0.251 196 V C 2.758 178.894 176.094 0.069 0.000 1.057 196 V CA 2.976 65.303 62.300 0.046 0.000 1.022 196 V CB -1.597 30.274 31.823 0.080 0.000 0.645 196 V HN 0.769 nan 8.190 nan 0.000 0.451 197 S N 0.576 116.316 115.700 0.066 0.000 2.399 197 S HA -0.293 4.177 4.470 -0.000 0.000 0.235 197 S C 1.836 176.486 174.600 0.083 0.000 1.063 197 S CA 2.402 60.648 58.200 0.076 0.000 1.070 197 S CB -0.987 62.242 63.200 0.048 0.000 0.904 197 S HN 0.575 nan 8.310 nan 0.000 0.456 198 I N 2.565 123.162 120.570 0.046 0.000 2.193 198 I HA -0.106 4.064 4.170 -0.000 0.000 0.240 198 I C 3.152 179.326 176.117 0.094 0.000 1.084 198 I CA 0.990 62.325 61.300 0.059 0.000 1.365 198 I CB -1.035 36.955 38.000 -0.016 0.000 1.064 198 I HN 0.418 nan 8.210 nan 0.000 0.410 199 A N 1.360 124.162 122.820 -0.029 0.000 1.940 199 A HA -0.318 4.002 4.320 -0.000 0.000 0.221 199 A C 2.271 179.926 177.584 0.118 0.000 1.190 199 A CA 2.279 54.246 52.037 -0.116 0.000 0.647 199 A CB -0.763 17.976 19.000 -0.435 0.000 0.821 199 A HN 0.395 nan 8.150 nan 0.000 0.457 200 K N -0.785 119.784 120.400 0.282 0.000 2.107 200 K HA -0.262 4.058 4.320 -0.000 0.000 0.211 200 K C 1.992 178.774 176.600 0.304 0.000 1.049 200 K CA 1.987 58.563 56.287 0.482 0.000 0.927 200 K CB -0.205 32.483 32.500 0.313 0.000 0.714 200 K HN 0.292 nan 8.250 nan 0.000 0.452 201 K N 0.079 120.624 120.400 0.241 0.000 2.147 201 K HA -0.109 4.211 4.320 -0.000 0.000 0.205 201 K C 1.348 177.967 176.600 0.031 0.000 1.049 201 K CA 1.247 57.606 56.287 0.119 0.000 0.936 201 K CB -0.215 32.329 32.500 0.074 0.000 0.722 201 K HN 0.216 nan 8.250 nan 0.000 0.446 202 Y N 0.997 121.316 120.300 0.033 0.000 2.470 202 Y HA 0.115 4.665 4.550 -0.000 0.000 0.302 202 Y C 0.270 176.198 175.900 0.047 0.000 1.194 202 Y CA -0.198 57.910 58.100 0.014 0.000 1.271 202 Y CB -0.985 37.458 38.460 -0.028 0.000 1.092 202 Y HN -0.187 nan 8.280 nan 0.000 0.513 203 T N -0.619 114.050 114.554 0.193 0.000 2.856 203 T HA 0.323 4.673 4.350 -0.000 0.000 0.306 203 T C 1.535 176.290 174.700 0.092 0.000 1.062 203 T CA 0.855 63.064 62.100 0.182 0.000 1.083 203 T CB 0.696 69.675 68.868 0.184 0.000 0.984 203 T HN 0.597 nan 8.240 nan 0.000 0.542 204 G N 1.517 110.367 108.800 0.084 0.000 2.412 204 G HA2 -0.381 3.578 3.960 -0.000 0.000 0.252 204 G HA3 -0.381 3.578 3.960 -0.000 0.000 0.252 204 G C 1.203 176.126 174.900 0.039 0.000 1.038 204 G CA 0.698 45.826 45.100 0.046 0.000 0.628 204 G HN 0.698 nan 8.290 nan 0.000 0.531 205 R N 0.804 121.332 120.500 0.046 0.000 2.261 205 R HA 0.192 4.532 4.340 -0.000 0.000 0.236 205 R C 1.726 178.047 176.300 0.035 0.000 1.141 205 R CA 1.227 57.348 56.100 0.036 0.000 1.001 205 R CB -0.260 30.073 30.300 0.055 0.000 0.866 205 R HN 1.544 nan 8.270 nan 0.000 0.468 206 G N 0.407 109.233 108.800 0.043 0.000 2.565 206 G HA2 0.042 4.002 3.960 -0.000 0.000 0.156 206 G HA3 0.042 4.002 3.960 -0.000 0.000 0.156 206 G C -1.058 173.861 174.900 0.032 0.000 1.074 206 G CA -0.751 44.368 45.100 0.032 0.000 0.804 206 G HN 0.105 nan 8.290 nan 0.000 0.496 207 L N -0.218 121.031 121.223 0.044 0.000 2.983 207 L HA 0.706 5.046 4.340 -0.000 0.000 0.249 207 L C 0.299 177.205 176.870 0.059 0.000 0.963 207 L CA 0.122 54.984 54.840 0.036 0.000 1.011 207 L CB 1.435 43.504 42.059 0.016 0.000 1.607 207 L HN 0.929 nan 8.230 nan 0.000 0.447 208 S N 2.786 118.516 115.700 0.049 0.000 2.737 208 S HA 0.014 4.484 4.470 -0.000 0.000 0.315 208 S C 1.353 176.017 174.600 0.107 0.000 1.236 208 S CA 0.553 58.800 58.200 0.078 0.000 1.093 208 S CB -0.271 62.956 63.200 0.045 0.000 0.832 208 S HN 0.579 nan 8.310 nan 0.000 0.507 209 F N 5.743 125.692 119.950 -0.001 0.000 2.082 209 F HA -0.287 4.240 4.527 -0.000 0.000 0.298 209 F C 1.609 177.398 175.800 -0.018 0.000 1.091 209 F CA 2.430 60.432 58.000 0.003 0.000 1.230 209 F CB -0.608 38.401 39.000 0.015 0.000 0.983 209 F HN 0.738 nan 8.300 nan 0.000 0.485 210 L N -0.380 120.894 121.223 0.084 0.000 1.963 210 L HA -0.320 4.020 4.340 -0.000 0.000 0.220 210 L C 2.332 179.115 176.870 -0.144 0.000 1.076 210 L CA 1.837 56.639 54.840 -0.063 0.000 0.772 210 L CB -1.406 40.636 42.059 -0.028 0.000 0.892 210 L HN 0.112 nan 8.230 nan 0.000 0.435 211 D N 0.685 121.034 120.400 -0.086 0.000 2.160 211 D HA -0.219 4.421 4.640 -0.000 0.000 0.189 211 D C 2.334 178.553 176.300 -0.135 0.000 1.003 211 D CA 1.759 55.703 54.000 -0.092 0.000 0.846 211 D CB -0.636 40.133 40.800 -0.052 0.000 0.949 211 D HN 0.345 nan 8.370 nan 0.000 0.446 212 L N 0.457 121.588 121.223 -0.153 0.000 1.978 212 L HA -0.229 4.111 4.340 -0.000 0.000 0.218 212 L C 2.737 179.449 176.870 -0.263 0.000 1.075 212 L CA 1.270 55.986 54.840 -0.206 0.000 0.767 212 L CB -0.984 40.931 42.059 -0.241 0.000 0.890 212 L HN 0.015 nan 8.230 nan 0.000 0.434 213 I N -0.408 119.952 120.570 -0.351 0.000 2.053 213 I HA -0.345 3.825 4.170 -0.000 0.000 0.236 213 I C 2.944 178.941 176.117 -0.200 0.000 1.038 213 I CA 1.471 62.587 61.300 -0.306 0.000 1.304 213 I CB -0.665 37.144 38.000 -0.319 0.000 1.023 213 I HN 0.365 nan 8.210 nan 0.000 0.395 214 Q N 0.561 120.242 119.800 -0.198 0.000 2.173 214 Q HA -0.242 4.098 4.340 -0.000 0.000 0.208 214 Q C 2.102 178.034 176.000 -0.115 0.000 0.989 214 Q CA 1.590 57.303 55.803 -0.150 0.000 0.872 214 Q CB -0.492 28.158 28.738 -0.145 0.000 0.909 214 Q HN 0.573 nan 8.270 nan 0.000 0.420 215 E N -0.178 119.945 120.200 -0.128 0.000 2.001 215 E HA -0.111 4.239 4.350 -0.000 0.000 0.195 215 E C 2.144 178.675 176.600 -0.116 0.000 1.002 215 E CA 1.338 57.670 56.400 -0.113 0.000 0.819 215 E CB -0.973 28.651 29.700 -0.126 0.000 0.769 215 E HN 0.481 nan 8.360 nan 0.000 0.454 216 G N 2.438 111.144 108.800 -0.158 0.000 2.517 216 G HA2 -0.329 3.631 3.960 -0.000 0.000 0.222 216 G HA3 -0.329 3.631 3.960 -0.000 0.000 0.222 216 G C 1.492 176.335 174.900 -0.094 0.000 1.109 216 G CA 1.068 46.076 45.100 -0.154 0.000 0.746 216 G HN 0.148 nan 8.290 nan 0.000 0.576 217 N N 1.016 119.668 118.700 -0.080 0.000 2.028 217 N HA -0.133 4.607 4.740 -0.000 0.000 0.194 217 N C 2.585 178.077 175.510 -0.030 0.000 1.050 217 N CA 1.794 54.821 53.050 -0.038 0.000 0.848 217 N CB -0.569 37.900 38.487 -0.029 0.000 1.038 217 N HN 0.724 nan 8.380 nan 0.000 0.423 218 Q N 0.063 119.840 119.800 -0.038 0.000 2.096 218 Q HA -0.061 4.279 4.340 -0.000 0.000 0.204 218 Q C 2.131 178.119 176.000 -0.020 0.000 0.982 218 Q CA 1.738 57.525 55.803 -0.027 0.000 0.850 218 Q CB -0.881 27.840 28.738 -0.028 0.000 0.901 218 Q HN 0.259 nan 8.270 nan 0.000 0.422 219 G N 1.904 110.693 108.800 -0.019 0.000 2.475 219 G HA2 -0.286 3.674 3.960 -0.000 0.000 0.220 219 G HA3 -0.286 3.674 3.960 -0.000 0.000 0.220 219 G C 1.429 176.347 174.900 0.031 0.000 1.125 219 G CA 1.070 46.187 45.100 0.029 0.000 0.755 219 G HN 0.358 nan 8.290 nan 0.000 0.565 220 L N 0.850 122.066 121.223 -0.013 0.000 2.027 220 L HA 0.078 4.418 4.340 -0.000 0.000 0.206 220 L C 2.654 179.502 176.870 -0.037 0.000 1.074 220 L CA 1.294 56.120 54.840 -0.023 0.000 0.745 220 L CB -0.633 41.418 42.059 -0.012 0.000 0.898 220 L HN 0.296 nan 8.230 nan 0.000 0.433 221 I N -0.371 120.181 120.570 -0.031 0.000 2.118 221 I HA -0.368 3.802 4.170 -0.000 0.000 0.241 221 I C 2.728 178.779 176.117 -0.110 0.000 1.070 221 I CA 1.760 63.038 61.300 -0.037 0.000 1.327 221 I CB -0.514 37.468 38.000 -0.029 0.000 1.034 221 I HN 0.321 nan 8.210 nan 0.000 0.405 222 R N 1.591 121.983 120.500 -0.180 0.000 2.097 222 R HA -0.209 4.131 4.340 -0.000 0.000 0.236 222 R C 2.354 178.219 176.300 -0.725 0.000 1.135 222 R CA 2.142 58.017 56.100 -0.375 0.000 0.934 222 R CB -0.929 29.174 30.300 -0.327 0.000 0.846 222 R HN 0.367 nan 8.270 nan 0.000 0.431 223 A N -0.170 122.077 122.820 -0.956 0.000 1.940 223 A HA -0.235 4.085 4.320 -0.000 0.000 0.221 223 A C 2.316 179.806 177.584 -0.156 0.000 1.190 223 A CA 2.283 53.645 52.037 -1.126 0.000 0.647 223 A CB -1.026 17.690 19.000 -0.473 0.000 0.821 223 A HN 0.244 nan 8.150 nan 0.000 0.457 224 V N -0.215 119.688 119.914 -0.018 0.000 2.216 224 V HA -0.305 3.815 4.120 -0.000 0.000 0.243 224 V C 2.396 178.560 176.094 0.117 0.000 1.044 224 V CA 2.307 64.689 62.300 0.137 0.000 0.995 224 V CB -1.067 30.802 31.823 0.077 0.000 0.633 224 V HN 0.805 nan 8.190 nan 0.000 0.446 225 E N 0.819 121.018 120.200 -0.000 0.000 2.054 225 E HA -0.294 4.056 4.350 -0.000 0.000 0.225 225 E C 0.716 177.359 176.600 0.072 0.000 1.048 225 E CA 1.574 57.980 56.400 0.011 0.000 0.899 225 E CB -0.200 29.469 29.700 -0.052 0.000 0.801 225 E HN 0.338 nan 8.360 nan 0.000 0.495 226 K N 0.817 121.210 120.400 -0.012 0.000 1.925 226 K HA -0.011 4.308 4.320 -0.000 0.000 0.216 226 K C -0.782 176.050 176.600 0.387 0.000 1.159 226 K CA 0.498 56.865 56.287 0.133 0.000 1.219 226 K CB -1.255 31.296 32.500 0.086 0.000 1.143 226 K HN 0.197 nan 8.250 nan 0.000 0.258 227 F N 1.460 121.483 119.950 0.121 0.000 2.767 227 F HA 0.058 4.585 4.527 -0.000 0.000 0.341 227 F C -1.159 174.675 175.800 0.056 0.000 1.192 227 F CA -0.910 57.145 58.000 0.091 0.000 1.127 227 F CB 1.198 40.291 39.000 0.155 0.000 1.388 227 F HN 0.297 nan 8.300 nan 0.000 0.574 228 E N 5.836 125.617 120.200 -0.698 0.000 2.055 228 E HA 0.163 4.513 4.350 -0.000 0.000 0.274 228 E C 0.059 176.040 176.600 -1.033 0.000 0.949 228 E CA -0.666 55.356 56.400 -0.630 0.000 0.775 228 E CB 0.698 30.174 29.700 -0.373 0.000 1.097 228 E HN 0.799 nan 8.360 nan 0.000 0.404 229 Y N 3.644 123.386 120.300 -0.930 0.000 2.274 229 Y HA -0.096 4.454 4.550 -0.000 0.000 0.290 229 Y C 1.467 177.061 175.900 -0.510 0.000 1.145 229 Y CA 0.792 58.490 58.100 -0.669 0.000 1.203 229 Y CB -0.388 37.938 38.460 -0.223 0.000 0.984 229 Y HN 0.270 nan 8.280 nan 0.000 0.533 230 K N 0.827 120.376 120.400 -1.419 0.000 2.259 230 K HA -0.199 4.121 4.320 -0.000 0.000 0.206 230 K C 0.358 176.555 176.600 -0.671 0.000 1.044 230 K CA 1.747 57.395 56.287 -1.065 0.000 0.931 230 K CB -0.315 31.719 32.500 -0.777 0.000 0.726 230 K HN 0.395 nan 8.250 nan 0.000 0.467 231 R N 1.922 121.974 120.500 -0.747 0.000 2.235 231 R HA 0.141 4.481 4.340 -0.000 0.000 0.338 231 R C -0.397 175.029 176.300 -1.457 0.000 1.087 231 R CA -0.673 54.920 56.100 -0.845 0.000 0.948 231 R CB 0.718 30.680 30.300 -0.562 0.000 1.099 231 R HN -0.062 nan 8.270 nan 0.000 0.483 232 R N 4.161 124.210 120.500 -0.753 0.000 2.936 232 R HA -0.104 4.236 4.340 -0.000 0.000 0.361 232 R C -1.188 174.901 176.300 -0.353 0.000 0.873 232 R CA 0.762 56.583 56.100 -0.465 0.000 1.041 232 R CB -0.604 29.585 30.300 -0.185 0.000 0.924 232 R HN 0.422 nan 8.270 nan 0.000 0.401 233 F N -0.067 119.947 119.950 0.107 0.000 2.714 233 F HA 0.252 4.779 4.527 -0.000 0.000 0.313 233 F C -0.794 175.135 175.800 0.216 0.000 1.104 233 F CA -1.800 56.283 58.000 0.138 0.000 1.005 233 F CB 0.357 39.429 39.000 0.119 0.000 1.268 233 F HN 0.218 nan 8.300 nan 0.000 0.449 234 K N 1.490 122.167 120.400 0.462 0.000 2.561 234 K HA 0.042 4.362 4.320 -0.000 0.000 0.280 234 K C 0.420 177.298 176.600 0.464 0.000 0.975 234 K CA 0.009 56.525 56.287 0.382 0.000 1.024 234 K CB 0.286 32.935 32.500 0.247 0.000 0.883 234 K HN 0.660 nan 8.250 nan 0.000 0.496 235 F N 3.165 123.244 119.950 0.215 0.000 2.074 235 F HA -0.171 4.356 4.527 -0.000 0.000 0.293 235 F C 2.408 178.298 175.800 0.150 0.000 1.116 235 F CA 1.896 59.961 58.000 0.108 0.000 1.212 235 F CB -1.018 37.971 39.000 -0.019 0.000 0.998 235 F HN 0.831 nan 8.300 nan 0.000 0.471 236 S N 0.171 115.892 115.700 0.036 0.000 2.489 236 S HA -0.392 4.078 4.470 -0.000 0.000 0.261 236 S C 2.247 176.798 174.600 -0.081 0.000 1.059 236 S CA 3.746 61.895 58.200 -0.085 0.000 1.372 236 S CB -1.477 61.742 63.200 0.032 0.000 1.253 236 S HN 0.680 nan 8.310 nan 0.000 0.432 237 T N -1.004 113.566 114.554 0.026 0.000 2.774 237 T HA -0.288 4.061 4.350 -0.000 0.000 0.264 237 T C 1.457 176.189 174.700 0.052 0.000 1.037 237 T CA 2.133 64.258 62.100 0.042 0.000 1.152 237 T CB -1.195 67.717 68.868 0.073 0.000 0.842 237 T HN 0.659 nan 8.240 nan 0.000 0.483 238 Y N 2.770 123.026 120.300 -0.073 0.000 2.337 238 Y HA 0.248 4.798 4.550 -0.000 0.000 0.247 238 Y C 2.847 178.745 175.900 -0.003 0.000 1.036 238 Y CA 0.977 59.048 58.100 -0.048 0.000 1.041 238 Y CB -1.295 37.169 38.460 0.005 0.000 1.021 238 Y HN 0.193 nan 8.280 nan 0.000 0.473 239 A N 0.083 122.582 122.820 -0.534 0.000 2.023 239 A HA -0.349 3.971 4.320 -0.000 0.000 0.223 239 A C 2.119 179.599 177.584 -0.173 0.000 1.180 239 A CA 2.898 54.658 52.037 -0.460 0.000 0.659 239 A CB -1.771 16.837 19.000 -0.653 0.000 0.817 239 A HN 0.753 nan 8.150 nan 0.000 0.466 240 T N -1.662 112.791 114.554 -0.167 0.000 2.701 240 T HA -0.327 4.023 4.350 -0.000 0.000 0.265 240 T C 1.223 175.907 174.700 -0.028 0.000 1.032 240 T CA 1.961 64.016 62.100 -0.076 0.000 1.158 240 T CB -0.476 68.373 68.868 -0.031 0.000 0.854 240 T HN 0.779 nan 8.240 nan 0.000 0.463 241 W N 0.425 121.591 121.300 -0.223 0.000 2.207 241 W HA -0.178 4.482 4.660 -0.000 0.000 0.321 241 W C 1.864 178.246 176.519 -0.228 0.000 1.202 241 W CA 1.250 58.437 57.345 -0.264 0.000 1.151 241 W CB -1.016 28.193 29.460 -0.417 0.000 1.175 241 W HN 0.275 nan 8.180 nan 0.000 0.461 242 W N 0.492 121.822 121.300 0.051 0.000 2.262 242 W HA -0.378 4.282 4.660 -0.000 0.000 0.331 242 W C 2.422 178.773 176.519 -0.281 0.000 1.315 242 W CA 2.360 59.631 57.345 -0.123 0.000 1.302 242 W CB -1.470 28.002 29.460 0.018 0.000 1.128 242 W HN -0.024 nan 8.180 nan 0.000 0.482 243 I N -0.272 120.305 120.570 0.013 0.000 2.087 243 I HA -0.428 3.742 4.170 -0.000 0.000 0.240 243 I C 2.611 178.573 176.117 -0.259 0.000 1.054 243 I CA 1.872 63.103 61.300 -0.115 0.000 1.311 243 I CB -0.814 37.108 38.000 -0.129 0.000 1.024 243 I HN 0.043 nan 8.210 nan 0.000 0.402 244 R N 0.353 120.659 120.500 -0.322 0.000 2.134 244 R HA -0.262 4.078 4.340 -0.000 0.000 0.248 244 R C 2.364 178.404 176.300 -0.433 0.000 1.143 244 R CA 1.826 57.674 56.100 -0.421 0.000 0.957 244 R CB -0.510 29.587 30.300 -0.338 0.000 0.867 244 R HN 0.518 nan 8.270 nan 0.000 0.441 245 Q N 0.304 119.806 119.800 -0.496 0.000 1.921 245 Q HA -0.136 4.204 4.340 -0.000 0.000 0.208 245 Q C 2.305 178.150 176.000 -0.259 0.000 0.994 245 Q CA 1.786 57.326 55.803 -0.439 0.000 0.857 245 Q CB -1.157 27.237 28.738 -0.573 0.000 0.925 245 Q HN 0.364 nan 8.270 nan 0.000 0.421 246 A N 1.334 124.049 122.820 -0.174 0.000 1.969 246 A HA -0.277 4.043 4.320 -0.000 0.000 0.223 246 A C 2.255 179.743 177.584 -0.160 0.000 1.218 246 A CA 2.170 54.139 52.037 -0.114 0.000 0.667 246 A CB -1.106 17.846 19.000 -0.080 0.000 0.826 246 A HN 0.382 nan 8.150 nan 0.000 0.472 247 I N -0.683 119.739 120.570 -0.247 0.000 2.055 247 I HA -0.285 3.885 4.170 -0.000 0.000 0.228 247 I C 2.345 178.341 176.117 -0.200 0.000 1.050 247 I CA 1.407 62.533 61.300 -0.291 0.000 1.326 247 I CB -0.837 36.822 38.000 -0.568 0.000 1.077 247 I HN 0.374 nan 8.210 nan 0.000 0.392 248 N N 0.987 119.566 118.700 -0.202 0.000 2.103 248 N HA -0.334 4.406 4.740 -0.000 0.000 0.200 248 N C 1.859 177.324 175.510 -0.074 0.000 1.016 248 N CA 2.221 55.226 53.050 -0.074 0.000 0.890 248 N CB -0.834 37.611 38.487 -0.069 0.000 1.075 248 N HN 0.260 nan 8.380 nan 0.000 0.506 249 R N 1.294 121.733 120.500 -0.102 0.000 2.196 249 R HA -0.229 4.111 4.340 -0.000 0.000 0.244 249 R C 2.092 178.357 176.300 -0.057 0.000 1.121 249 R CA 2.568 58.623 56.100 -0.075 0.000 0.930 249 R CB -1.247 29.006 30.300 -0.078 0.000 0.890 249 R HN 0.324 nan 8.270 nan 0.000 0.435 250 A N 0.356 123.136 122.820 -0.066 0.000 1.883 250 A HA -0.132 4.188 4.320 -0.000 0.000 0.217 250 A C 2.439 179.999 177.584 -0.041 0.000 1.186 250 A CA 1.970 53.974 52.037 -0.054 0.000 0.624 250 A CB -0.741 18.219 19.000 -0.067 0.000 0.822 250 A HN 0.467 nan 8.150 nan 0.000 0.444 251 I N -0.121 120.427 120.570 -0.036 0.000 2.065 251 I HA -0.405 3.765 4.170 -0.000 0.000 0.236 251 I C 2.897 179.003 176.117 -0.017 0.000 1.028 251 I CA 1.663 62.954 61.300 -0.014 0.000 1.299 251 I CB -0.710 37.297 38.000 0.011 0.000 1.015 251 I HN 0.366 nan 8.210 nan 0.000 0.396 252 A N 0.026 122.833 122.820 -0.021 0.000 2.148 252 A HA -0.248 4.072 4.320 -0.000 0.000 0.222 252 A C 1.689 179.253 177.584 -0.033 0.000 1.161 252 A CA 2.317 54.337 52.037 -0.029 0.000 0.662 252 A CB -0.666 18.313 19.000 -0.034 0.000 0.799 252 A HN 0.507 nan 8.150 nan 0.000 0.466 253 D N -0.789 119.593 120.400 -0.030 0.000 2.278 253 D HA -0.019 4.621 4.640 -0.000 0.000 0.228 253 D C 2.179 178.464 176.300 -0.025 0.000 1.020 253 D CA 1.351 55.334 54.000 -0.028 0.000 0.922 253 D CB -0.675 40.108 40.800 -0.028 0.000 1.051 253 D HN 0.560 nan 8.370 nan 0.000 0.452 254 Q N 0.591 120.377 119.800 -0.023 0.000 2.331 254 Q HA 0.206 4.545 4.340 -0.000 0.000 0.203 254 Q C 2.004 177.995 176.000 -0.015 0.000 0.944 254 Q CA 0.718 56.509 55.803 -0.020 0.000 0.892 254 Q CB 0.045 28.770 28.738 -0.022 0.000 0.983 254 Q HN 0.166 nan 8.270 nan 0.000 0.482 255 A N 1.631 124.443 122.820 -0.014 0.000 1.903 255 A HA -0.207 4.113 4.320 -0.000 0.000 0.219 255 A C 1.277 178.856 177.584 -0.008 0.000 1.191 255 A CA 1.170 53.202 52.037 -0.007 0.000 0.638 255 A CB -0.291 18.705 19.000 -0.006 0.000 0.823 255 A HN 0.184 nan 8.150 nan 0.000 0.451 256 R N -1.104 119.389 120.500 -0.013 0.000 2.349 256 R HA 0.347 4.687 4.340 -0.000 0.000 0.299 256 R C 0.962 177.254 176.300 -0.014 0.000 1.027 256 R CA 0.246 56.339 56.100 -0.013 0.000 0.958 256 R CB 0.803 31.093 30.300 -0.017 0.000 1.047 256 R HN 0.285 nan 8.270 nan 0.000 0.468 257 T N 3.126 117.672 114.554 -0.012 0.000 2.833 257 T HA -0.008 4.342 4.350 -0.000 0.000 0.269 257 T C 0.743 175.433 174.700 -0.017 0.000 1.054 257 T CA 1.031 63.123 62.100 -0.014 0.000 1.135 257 T CB 0.013 68.873 68.868 -0.013 0.000 0.869 257 T HN 0.400 nan 8.240 nan 0.000 0.466 258 I N 2.160 122.720 120.570 -0.017 0.000 2.321 258 I HA 0.370 4.540 4.170 -0.000 0.000 0.291 258 I C 0.124 176.229 176.117 -0.021 0.000 0.998 258 I CA -1.129 60.159 61.300 -0.019 0.000 1.227 258 I CB 1.321 39.310 38.000 -0.018 0.000 1.368 258 I HN -0.106 nan 8.210 nan 0.000 0.466 259 R N 6.919 127.406 120.500 -0.022 0.000 2.640 259 R HA 0.422 4.762 4.340 -0.000 0.000 0.270 259 R C -1.009 175.272 176.300 -0.031 0.000 1.024 259 R CA 0.602 56.687 56.100 -0.025 0.000 1.085 259 R CB 0.238 30.525 30.300 -0.022 0.000 0.963 259 R HN 0.736 nan 8.270 nan 0.000 0.426 260 I N 4.429 124.974 120.570 -0.043 0.000 2.785 260 I HA 0.394 4.564 4.170 -0.000 0.000 0.293 260 I C -2.483 173.576 176.117 -0.097 0.000 1.446 260 I CA -2.548 58.715 61.300 -0.062 0.000 1.028 260 I CB 2.383 40.348 38.000 -0.058 0.000 1.349 260 I HN 0.622 nan 8.210 nan 0.000 0.438 261 P HA -0.017 nan 4.420 nan 0.000 0.269 261 P C 0.444 177.583 177.300 -0.268 0.000 1.200 261 P CA -0.159 62.789 63.100 -0.253 0.000 0.779 261 P CB 0.595 32.001 31.700 -0.490 0.000 0.841 262 V N 0.927 120.714 119.914 -0.212 0.000 2.575 262 V HA -0.154 3.966 4.120 -0.000 0.000 0.242 262 V C 2.060 178.092 176.094 -0.103 0.000 1.045 262 V CA 1.815 64.044 62.300 -0.118 0.000 1.065 262 V CB -1.713 30.085 31.823 -0.042 0.000 0.717 262 V HN 0.727 nan 8.190 nan 0.000 0.467 263 H N -1.285 117.791 119.070 0.010 0.000 2.518 263 H HA -0.111 4.445 4.556 -0.000 0.000 0.292 263 H C 1.935 177.281 175.328 0.029 0.000 1.068 263 H CA 1.509 57.568 56.048 0.018 0.000 1.275 263 H CB -0.434 29.338 29.762 0.015 0.000 1.375 263 H HN 0.222 nan 8.280 nan 0.000 0.563 264 M N 0.863 120.209 119.600 -0.423 0.000 2.074 264 M HA -0.079 4.401 4.480 -0.000 0.000 0.258 264 M C 2.315 178.586 176.300 -0.049 0.000 1.083 264 M CA 1.020 56.186 55.300 -0.224 0.000 1.128 264 M CB -0.659 31.756 32.600 -0.308 0.000 1.301 264 M HN 0.329 nan 8.290 nan 0.000 0.417 265 V N 0.685 120.559 119.914 -0.068 0.000 2.222 265 V HA -0.366 3.754 4.120 -0.000 0.000 0.252 265 V C 2.064 178.162 176.094 0.006 0.000 1.060 265 V CA 2.333 64.618 62.300 -0.025 0.000 1.027 265 V CB -1.392 30.414 31.823 -0.028 0.000 0.644 265 V HN 0.487 nan 8.190 nan 0.000 0.448 266 E N 0.593 120.803 120.200 0.017 0.000 2.242 266 E HA -0.394 3.956 4.350 -0.000 0.000 0.247 266 E C 2.236 178.863 176.600 0.045 0.000 1.056 266 E CA 3.012 59.434 56.400 0.037 0.000 0.999 266 E CB -0.891 28.851 29.700 0.070 0.000 0.891 266 E HN 0.872 nan 8.360 nan 0.000 0.512 267 T N 0.473 115.081 114.554 0.089 0.000 2.531 267 T HA -0.290 4.060 4.350 -0.000 0.000 0.261 267 T C 2.001 176.728 174.700 0.045 0.000 1.141 267 T CA 2.220 64.384 62.100 0.106 0.000 1.176 267 T CB -1.097 67.906 68.868 0.225 0.000 0.863 267 T HN 0.233 nan 8.240 nan 0.000 0.424 268 I N 2.914 123.513 120.570 0.049 0.000 2.161 268 I HA -0.366 3.804 4.170 -0.000 0.000 0.246 268 I C 2.735 178.850 176.117 -0.002 0.000 1.048 268 I CA 2.145 63.458 61.300 0.021 0.000 1.314 268 I CB -0.730 37.278 38.000 0.013 0.000 1.014 268 I HN 0.403 nan 8.210 nan 0.000 0.418 269 N N 0.814 119.511 118.700 -0.004 0.000 2.062 269 N HA -0.206 4.534 4.740 -0.000 0.000 0.191 269 N C 1.788 177.280 175.510 -0.030 0.000 1.042 269 N CA 1.268 54.308 53.050 -0.016 0.000 0.845 269 N CB -0.541 37.937 38.487 -0.014 0.000 1.024 269 N HN 0.398 nan 8.380 nan 0.000 0.424 270 K N 1.583 121.965 120.400 -0.031 0.000 2.097 270 K HA -0.200 4.120 4.320 -0.000 0.000 0.214 270 K C 2.009 178.557 176.600 -0.087 0.000 1.052 270 K CA 1.238 57.491 56.287 -0.058 0.000 0.932 270 K CB -0.212 32.252 32.500 -0.061 0.000 0.716 270 K HN 0.097 nan 8.250 nan 0.000 0.455 271 L N 0.689 121.857 121.223 -0.091 0.000 1.915 271 L HA -0.281 4.059 4.340 -0.000 0.000 0.225 271 L C 2.702 179.533 176.870 -0.065 0.000 1.084 271 L CA 2.032 56.812 54.840 -0.100 0.000 0.788 271 L CB -1.696 40.322 42.059 -0.067 0.000 0.892 271 L HN 0.448 nan 8.230 nan 0.000 0.434 272 S N 0.784 116.460 115.700 -0.039 0.000 2.426 272 S HA -0.372 4.098 4.470 -0.000 0.000 0.259 272 S C 1.922 176.501 174.600 -0.034 0.000 1.096 272 S CA 2.252 60.436 58.200 -0.027 0.000 1.219 272 S CB -1.055 62.133 63.200 -0.020 0.000 1.124 272 S HN 0.374 nan 8.310 nan 0.000 0.436 273 R N 1.191 121.667 120.500 -0.039 0.000 2.140 273 R HA -0.125 4.215 4.340 -0.000 0.000 0.250 273 R C 2.686 178.959 176.300 -0.045 0.000 1.150 273 R CA 2.096 58.171 56.100 -0.041 0.000 0.966 273 R CB -1.466 28.807 30.300 -0.045 0.000 0.869 273 R HN 0.667 nan 8.270 nan 0.000 0.445 274 T N 0.762 115.281 114.554 -0.059 0.000 2.732 274 T HA -0.043 4.307 4.350 -0.000 0.000 0.261 274 T C 2.074 176.746 174.700 -0.046 0.000 1.040 274 T CA 1.092 63.154 62.100 -0.064 0.000 1.145 274 T CB -0.412 68.397 68.868 -0.097 0.000 0.866 274 T HN 0.396 nan 8.240 nan 0.000 0.427 275 A N 2.248 125.044 122.820 -0.039 0.000 2.023 275 A HA -0.315 4.005 4.320 -0.000 0.000 0.223 275 A C 2.323 179.895 177.584 -0.020 0.000 1.180 275 A CA 2.082 54.106 52.037 -0.021 0.000 0.659 275 A CB -0.627 18.367 19.000 -0.010 0.000 0.817 275 A HN 0.536 nan 8.150 nan 0.000 0.466 276 R N -1.004 119.482 120.500 -0.024 0.000 2.060 276 R HA -0.072 4.268 4.340 -0.000 0.000 0.225 276 R C 2.334 178.620 176.300 -0.023 0.000 1.155 276 R CA 1.316 57.403 56.100 -0.021 0.000 0.930 276 R CB -0.598 29.689 30.300 -0.023 0.000 0.829 276 R HN 0.657 nan 8.270 nan 0.000 0.433 277 Q N 0.707 120.490 119.800 -0.027 0.000 2.468 277 Q HA -0.189 4.151 4.340 -0.000 0.000 0.216 277 Q C 1.815 177.800 176.000 -0.025 0.000 0.991 277 Q CA 1.173 56.960 55.803 -0.027 0.000 0.900 277 Q CB -0.239 28.480 28.738 -0.033 0.000 0.930 277 Q HN 0.444 nan 8.270 nan 0.000 0.473 278 L N -1.149 120.059 121.223 -0.025 0.000 2.546 278 L HA -0.009 4.331 4.340 -0.000 0.000 0.182 278 L C 2.403 179.263 176.870 -0.018 0.000 1.167 278 L CA -0.070 54.757 54.840 -0.022 0.000 0.845 278 L CB -1.070 40.975 42.059 -0.023 0.000 1.134 278 L HN 0.020 nan 8.230 nan 0.000 0.500 279 Q N 1.694 121.484 119.800 -0.016 0.000 2.105 279 Q HA -0.353 3.987 4.340 -0.000 0.000 0.217 279 Q C 2.013 178.005 176.000 -0.014 0.000 1.029 279 Q CA 3.175 58.969 55.803 -0.015 0.000 0.899 279 Q CB -0.442 28.288 28.738 -0.013 0.000 1.000 279 Q HN 0.763 nan 8.270 nan 0.000 0.414 280 Q N -0.444 119.347 119.800 -0.015 0.000 1.975 280 Q HA -0.213 4.127 4.340 -0.000 0.000 0.205 280 Q C 2.002 177.994 176.000 -0.013 0.000 0.990 280 Q CA 1.770 57.565 55.803 -0.014 0.000 0.845 280 Q CB -0.658 28.071 28.738 -0.014 0.000 0.913 280 Q HN 0.329 nan 8.270 nan 0.000 0.420 281 E N 0.616 120.807 120.200 -0.014 0.000 2.160 281 E HA -0.183 4.167 4.350 -0.000 0.000 0.195 281 E C 1.657 178.249 176.600 -0.012 0.000 0.991 281 E CA 0.967 57.359 56.400 -0.013 0.000 0.810 281 E CB -0.165 29.526 29.700 -0.014 0.000 0.742 281 E HN 0.426 nan 8.360 nan 0.000 0.466 282 L N -1.029 120.186 121.223 -0.013 0.000 2.558 282 L HA 0.297 4.637 4.340 -0.000 0.000 0.225 282 L C 1.658 178.521 176.870 -0.013 0.000 1.128 282 L CA 1.437 56.269 54.840 -0.013 0.000 0.868 282 L CB -0.172 41.879 42.059 -0.014 0.000 1.006 282 L HN 0.326 nan 8.230 nan 0.000 0.454 283 G N 0.281 109.074 108.800 -0.012 0.000 2.746 283 G HA2 -0.429 3.531 3.960 -0.000 0.000 0.236 283 G HA3 -0.429 3.531 3.960 -0.000 0.000 0.236 283 G C 0.855 175.747 174.900 -0.013 0.000 1.172 283 G CA 0.846 45.939 45.100 -0.012 0.000 0.736 283 G HN 0.647 nan 8.290 nan 0.000 0.519 284 R N 0.448 120.939 120.500 -0.015 0.000 2.705 284 R HA 0.726 5.066 4.340 -0.000 0.000 0.246 284 R C -0.674 175.615 176.300 -0.018 0.000 1.142 284 R CA -0.837 55.253 56.100 -0.017 0.000 1.114 284 R CB 0.900 31.188 30.300 -0.019 0.000 1.256 284 R HN 0.115 nan 8.270 nan 0.000 0.536 285 E N 2.713 122.900 120.200 -0.021 0.000 1.996 285 E HA 0.180 4.530 4.350 -0.000 0.000 0.280 285 E C -1.938 174.647 176.600 -0.026 0.000 1.092 285 E CA -1.852 54.535 56.400 -0.021 0.000 0.862 285 E CB 0.935 30.622 29.700 -0.023 0.000 1.066 285 E HN 0.432 nan 8.360 nan 0.000 0.396 286 P HA -0.087 nan 4.420 nan 0.000 0.264 286 P C 0.063 177.355 177.300 -0.013 0.000 1.183 286 P CA 0.247 63.338 63.100 -0.014 0.000 0.763 286 P CB 0.716 32.412 31.700 -0.007 0.000 0.807 287 T N 1.885 116.423 114.554 -0.026 0.000 2.945 287 T HA 0.257 4.607 4.350 -0.000 0.000 0.286 287 T C 1.280 176.024 174.700 0.075 0.000 1.025 287 T CA -0.520 61.544 62.100 -0.061 0.000 1.039 287 T CB 0.324 69.090 68.868 -0.171 0.000 1.068 287 T HN 0.389 nan 8.240 nan 0.000 0.497 288 Y N 1.133 121.438 120.300 0.007 0.000 1.987 288 Y HA -0.419 4.131 4.550 -0.000 0.000 0.222 288 Y C 2.436 178.348 175.900 0.021 0.000 1.222 288 Y CA 1.862 59.973 58.100 0.019 0.000 1.007 288 Y CB -0.773 37.706 38.460 0.031 0.000 0.811 288 Y HN 0.705 nan 8.280 nan 0.000 0.530 289 E N 0.496 120.821 120.200 0.208 0.000 2.037 289 E HA -0.266 4.084 4.350 -0.000 0.000 0.214 289 E C 1.630 178.280 176.600 0.083 0.000 1.041 289 E CA 1.920 58.391 56.400 0.119 0.000 0.872 289 E CB -0.696 29.049 29.700 0.075 0.000 0.785 289 E HN 0.472 nan 8.360 nan 0.000 0.476 290 E N 0.077 120.310 120.200 0.054 0.000 2.095 290 E HA -0.251 4.099 4.350 -0.000 0.000 0.212 290 E C 2.043 178.656 176.600 0.022 0.000 1.044 290 E CA 1.671 58.089 56.400 0.029 0.000 0.857 290 E CB -0.486 29.222 29.700 0.014 0.000 0.764 290 E HN 0.391 nan 8.360 nan 0.000 0.462 291 I N 0.365 120.955 120.570 0.034 0.000 2.113 291 I HA -0.215 3.955 4.170 -0.000 0.000 0.238 291 I C 2.057 178.158 176.117 -0.028 0.000 1.070 291 I CA 1.926 63.222 61.300 -0.007 0.000 1.332 291 I CB -1.007 36.999 38.000 0.009 0.000 1.044 291 I HN 0.093 nan 8.210 nan 0.000 0.402 292 A N 0.458 123.303 122.820 0.042 0.000 1.923 292 A HA -0.398 3.922 4.320 -0.000 0.000 0.222 292 A C 2.157 179.786 177.584 0.075 0.000 1.258 292 A CA 2.810 54.903 52.037 0.095 0.000 0.670 292 A CB -1.417 17.671 19.000 0.148 0.000 0.834 292 A HN 0.721 nan 8.150 nan 0.000 0.470 293 E N -0.652 119.583 120.200 0.057 0.000 2.013 293 E HA -0.168 4.182 4.350 -0.000 0.000 0.202 293 E C 2.443 179.044 176.600 0.002 0.000 1.018 293 E CA 1.168 57.595 56.400 0.045 0.000 0.834 293 E CB -0.475 29.244 29.700 0.031 0.000 0.770 293 E HN 0.648 nan 8.360 nan 0.000 0.459 294 A N 1.416 124.215 122.820 -0.034 0.000 1.881 294 A HA -0.319 4.001 4.320 -0.000 0.000 0.219 294 A C 2.204 179.695 177.584 -0.156 0.000 1.215 294 A CA 2.378 54.369 52.037 -0.076 0.000 0.648 294 A CB -0.701 18.251 19.000 -0.080 0.000 0.832 294 A HN 0.231 nan 8.150 nan 0.000 0.455 295 M N -1.455 117.972 119.600 -0.288 0.000 2.089 295 M HA 0.021 4.501 4.480 -0.000 0.000 0.257 295 M C 1.262 177.249 176.300 -0.522 0.000 1.071 295 M CA 1.895 56.803 55.300 -0.652 0.000 1.096 295 M CB -1.245 30.614 32.600 -1.234 0.000 1.330 295 M HN 1.050 nan 8.290 nan 0.000 0.403 296 G N -3.543 105.183 108.800 -0.122 0.000 2.236 296 G HA2 -0.041 3.919 3.960 -0.000 0.000 0.231 296 G HA3 -0.041 3.919 3.960 -0.000 0.000 0.231 296 G C -2.324 172.874 174.900 0.497 0.000 1.334 296 G CA -0.485 44.748 45.100 0.222 0.000 1.137 296 G HN 0.155 nan 8.290 nan 0.000 0.482 297 P HA -0.013 nan 4.420 nan 0.000 0.207 297 P C 1.461 178.798 177.300 0.062 0.000 0.954 297 P CA 2.343 65.553 63.100 0.183 0.000 0.990 297 P CB -0.237 31.537 31.700 0.124 0.000 0.721 298 G N -1.399 107.290 108.800 -0.184 0.000 3.636 298 G HA2 0.298 4.258 3.960 -0.000 0.000 0.260 298 G HA3 0.298 4.258 3.960 -0.000 0.000 0.260 298 G C -1.167 173.308 174.900 -0.709 0.000 1.014 298 G CA -0.287 44.589 45.100 -0.373 0.000 1.797 298 G HN 0.144 nan 8.290 nan 0.000 0.637 299 W N 0.221 121.516 121.300 -0.008 0.000 2.736 299 W HA 0.579 5.239 4.660 -0.000 0.000 0.335 299 W C -0.478 176.036 176.519 -0.008 0.000 1.059 299 W CA -0.788 56.551 57.345 -0.010 0.000 1.226 299 W CB 2.473 31.930 29.460 -0.005 0.000 1.416 299 W HN 0.092 nan 8.180 nan 0.000 0.505 300 D N 0.513 121.063 120.400 0.251 0.000 2.753 300 D HA 0.359 4.999 4.640 -0.000 0.000 0.224 300 D C 0.664 177.036 176.300 0.120 0.000 1.213 300 D CA -0.133 53.953 54.000 0.142 0.000 0.833 300 D CB 2.527 43.360 40.800 0.055 0.000 1.607 300 D HN 0.453 nan 8.370 nan 0.000 0.463 301 A N 3.684 126.568 122.820 0.107 0.000 1.863 301 A HA -0.302 4.018 4.320 -0.000 0.000 0.218 301 A C 1.798 179.348 177.584 -0.056 0.000 1.233 301 A CA 3.138 55.236 52.037 0.103 0.000 0.655 301 A CB -0.694 18.424 19.000 0.197 0.000 0.839 301 A HN 0.688 nan 8.150 nan 0.000 0.454 302 K N 0.484 120.886 120.400 0.002 0.000 2.160 302 K HA -0.201 4.119 4.320 -0.000 0.000 0.206 302 K C 1.915 178.462 176.600 -0.088 0.000 1.047 302 K CA 1.963 58.225 56.287 -0.042 0.000 0.930 302 K CB -0.556 31.948 32.500 0.007 0.000 0.720 302 K HN 0.605 nan 8.250 nan 0.000 0.450 303 R N 1.211 121.686 120.500 -0.042 0.000 2.062 303 R HA -0.081 4.259 4.340 -0.000 0.000 0.231 303 R C 1.851 178.137 176.300 -0.024 0.000 1.136 303 R CA 1.528 57.618 56.100 -0.017 0.000 0.948 303 R CB -0.488 29.825 30.300 0.022 0.000 0.845 303 R HN 0.073 nan 8.270 nan 0.000 0.430 304 V N 2.030 121.926 119.914 -0.030 0.000 2.218 304 V HA -0.382 3.738 4.120 -0.000 0.000 0.251 304 V C 2.432 178.309 176.094 -0.362 0.000 1.057 304 V CA 2.521 64.739 62.300 -0.138 0.000 1.022 304 V CB -1.010 30.665 31.823 -0.246 0.000 0.645 304 V HN 0.619 nan 8.190 nan 0.000 0.451 305 E N -0.143 119.569 120.200 -0.813 0.000 2.082 305 E HA -0.355 3.995 4.350 -0.000 0.000 0.215 305 E C 2.079 178.539 176.600 -0.233 0.000 1.048 305 E CA 2.241 58.193 56.400 -0.746 0.000 0.869 305 E CB -0.211 29.151 29.700 -0.565 0.000 0.773 305 E HN 0.673 nan 8.360 nan 0.000 0.466 306 E N 0.317 120.432 120.200 -0.142 0.000 2.012 306 E HA -0.228 4.122 4.350 -0.000 0.000 0.211 306 E C 2.183 178.764 176.600 -0.031 0.000 1.029 306 E CA 1.851 58.219 56.400 -0.053 0.000 0.867 306 E CB -1.372 28.308 29.700 -0.033 0.000 0.790 306 E HN 0.438 nan 8.360 nan 0.000 0.482 307 T N 3.315 117.861 114.554 -0.013 0.000 2.412 307 T HA -0.297 4.053 4.350 -0.000 0.000 0.228 307 T C 2.090 176.795 174.700 0.009 0.000 1.426 307 T CA 2.953 65.066 62.100 0.022 0.000 1.096 307 T CB -1.203 67.703 68.868 0.062 0.000 0.834 307 T HN 0.263 nan 8.240 nan 0.000 0.439 308 L N 0.987 122.208 121.223 -0.003 0.000 1.976 308 L HA -0.280 4.060 4.340 -0.000 0.000 0.223 308 L C 2.567 179.450 176.870 0.020 0.000 1.081 308 L CA 2.244 57.093 54.840 0.014 0.000 0.784 308 L CB -1.000 41.077 42.059 0.029 0.000 0.896 308 L HN 0.264 nan 8.230 nan 0.000 0.438 309 K N 0.646 121.057 120.400 0.019 0.000 2.089 309 K HA -0.164 4.156 4.320 -0.000 0.000 0.210 309 K C 1.988 178.598 176.600 0.018 0.000 1.048 309 K CA 1.907 58.209 56.287 0.025 0.000 0.926 309 K CB -0.542 31.972 32.500 0.023 0.000 0.714 309 K HN 0.409 nan 8.250 nan 0.000 0.448 310 I N 0.606 121.182 120.570 0.011 0.000 3.176 310 I HA -0.096 4.074 4.170 -0.000 0.000 0.275 310 I C 0.968 177.089 176.117 0.007 0.000 1.298 310 I CA 0.117 61.422 61.300 0.008 0.000 1.445 310 I CB -0.131 37.873 38.000 0.006 0.000 1.075 310 I HN 0.011 nan 8.210 nan 0.000 0.482 311 A N 1.382 124.209 122.820 0.011 0.000 3.173 311 A HA 0.413 4.733 4.320 -0.000 0.000 0.304 311 A C 0.288 177.880 177.584 0.014 0.000 1.318 311 A CA -0.474 51.569 52.037 0.010 0.000 1.069 311 A CB -0.125 18.882 19.000 0.012 0.000 1.147 311 A HN 0.108 nan 8.150 nan 0.000 0.547 312 Q N -0.471 119.336 119.800 0.012 0.000 3.321 312 Q HA 0.400 4.740 4.340 -0.000 0.000 0.257 312 Q C 0.182 176.188 176.000 0.010 0.000 1.041 312 Q CA -0.541 55.271 55.803 0.015 0.000 0.789 312 Q CB 0.389 29.139 28.738 0.020 0.000 2.366 312 Q HN 0.435 nan 8.270 nan 0.000 0.416 313 E N -0.047 120.159 120.200 0.010 0.000 2.288 313 E HA 0.197 4.547 4.350 -0.000 0.000 0.200 313 E C -1.603 174.995 176.600 -0.003 0.000 0.880 313 E CA 0.188 56.591 56.400 0.005 0.000 0.971 313 E CB -0.296 29.410 29.700 0.010 0.000 0.954 313 E HN 0.439 nan 8.360 nan 0.000 0.489 314 P HA 0.218 nan 4.420 nan 0.000 0.332 314 P C -0.010 177.288 177.300 -0.003 0.000 1.298 314 P CA -0.346 62.750 63.100 -0.007 0.000 0.755 314 P CB 1.182 32.867 31.700 -0.024 0.000 1.465 315 V N -0.180 119.729 119.914 -0.007 0.000 2.743 315 V HA 0.235 4.355 4.120 -0.000 0.000 0.301 315 V C 0.896 176.976 176.094 -0.024 0.000 1.057 315 V CA -0.335 61.971 62.300 0.011 0.000 1.006 315 V CB 1.089 32.949 31.823 0.061 0.000 1.024 315 V HN 0.647 nan 8.190 nan 0.000 0.473 316 S N 2.795 118.510 115.700 0.024 0.000 2.474 316 S HA 0.302 4.772 4.470 -0.000 0.000 0.276 316 S C 1.019 175.643 174.600 0.040 0.000 1.227 316 S CA -0.659 57.554 58.200 0.022 0.000 1.050 316 S CB 0.173 63.407 63.200 0.056 0.000 0.939 316 S HN 0.538 nan 8.310 nan 0.000 0.490 317 L N 4.255 125.458 121.223 -0.033 0.000 2.131 317 L HA -0.055 4.285 4.340 -0.000 0.000 0.210 317 L C 2.007 178.982 176.870 0.175 0.000 1.092 317 L CA 1.223 56.061 54.840 -0.004 0.000 0.759 317 L CB -0.614 41.408 42.059 -0.061 0.000 0.903 317 L HN 0.584 nan 8.230 nan 0.000 0.435 318 E N -0.427 119.840 120.200 0.111 0.000 2.515 318 E HA -0.040 4.310 4.350 -0.000 0.000 0.201 318 E C 0.360 177.171 176.600 0.351 0.000 1.071 318 E CA 0.216 56.704 56.400 0.145 0.000 0.880 318 E CB -0.248 29.472 29.700 0.033 0.000 0.828 318 E HN 0.296 nan 8.360 nan 0.000 0.540 319 T N 3.480 118.223 114.554 0.316 0.000 2.829 319 T HA 0.073 4.423 4.350 -0.000 0.000 0.293 319 T C -2.349 172.528 174.700 0.295 0.000 0.970 319 T CA -1.179 61.093 62.100 0.286 0.000 1.168 319 T CB 0.528 69.557 68.868 0.269 0.000 0.911 319 T HN -0.071 nan 8.240 nan 0.000 0.535 320 P HA 0.148 nan 4.420 nan 0.000 0.268 320 P C -0.211 177.089 177.300 -0.001 0.000 1.204 320 P CA -0.442 62.653 63.100 -0.009 0.000 0.768 320 P CB 0.393 32.068 31.700 -0.042 0.000 0.842 321 I N 1.976 122.525 120.570 -0.036 0.000 2.797 321 I HA 0.156 4.326 4.170 -0.000 0.000 0.310 321 I C 2.117 178.187 176.117 -0.080 0.000 0.990 321 I CA -0.334 60.932 61.300 -0.057 0.000 1.228 321 I CB -0.087 37.888 38.000 -0.041 0.000 1.406 321 I HN 0.524 nan 8.210 nan 0.000 0.534 322 G N 1.885 110.626 108.800 -0.099 0.000 2.773 322 G HA2 -0.353 3.607 3.960 -0.000 0.000 0.224 322 G HA3 -0.353 3.607 3.960 -0.000 0.000 0.224 322 G C 1.284 176.144 174.900 -0.066 0.000 1.078 322 G CA 1.171 46.224 45.100 -0.080 0.000 0.724 322 G HN 0.831 nan 8.290 nan 0.000 0.620 323 D N 1.112 121.473 120.400 -0.065 0.000 2.133 323 D HA -0.191 4.449 4.640 -0.000 0.000 0.192 323 D C 1.248 177.514 176.300 -0.058 0.000 1.001 323 D CA 1.585 55.553 54.000 -0.054 0.000 0.844 323 D CB -0.355 40.415 40.800 -0.050 0.000 0.944 323 D HN 0.586 nan 8.370 nan 0.000 0.447 324 E N -1.536 118.619 120.200 -0.074 0.000 2.759 324 E HA -0.239 4.111 4.350 -0.000 0.000 0.280 324 E C 0.682 177.241 176.600 -0.068 0.000 1.009 324 E CA 0.858 57.219 56.400 -0.065 0.000 0.849 324 E CB -1.054 28.621 29.700 -0.042 0.000 1.415 324 E HN 0.456 nan 8.360 nan 0.000 0.412 325 K N -0.834 119.506 120.400 -0.100 0.000 2.826 325 K HA 0.037 4.357 4.320 -0.000 0.000 0.195 325 K C 0.326 176.848 176.600 -0.131 0.000 1.516 325 K CA 0.681 56.917 56.287 -0.085 0.000 1.213 325 K CB 0.590 33.058 32.500 -0.053 0.000 1.762 325 K HN 0.116 nan 8.250 nan 0.000 0.583 326 D N -0.513 119.759 120.400 -0.214 0.000 2.672 326 D HA 0.087 4.727 4.640 -0.000 0.000 0.321 326 D C -0.581 175.398 176.300 -0.534 0.000 1.496 326 D CA -0.178 53.636 54.000 -0.311 0.000 0.901 326 D CB -0.043 40.714 40.800 -0.071 0.000 1.441 326 D HN -0.161 nan 8.370 nan 0.000 0.423 327 S N 0.033 115.432 115.700 -0.502 0.000 2.475 327 S HA 0.741 5.211 4.470 -0.000 0.000 0.298 327 S C -1.138 173.192 174.600 -0.451 0.000 1.119 327 S CA -0.477 57.544 58.200 -0.298 0.000 1.085 327 S CB 0.672 63.956 63.200 0.139 0.000 1.028 327 S HN 0.143 nan 8.310 nan 0.000 0.489 328 F N 1.780 121.831 119.950 0.169 0.000 2.563 328 F HA 0.436 4.963 4.527 -0.000 0.000 0.316 328 F C 0.840 176.887 175.800 0.413 0.000 1.076 328 F CA -1.180 56.958 58.000 0.230 0.000 0.921 328 F CB 0.270 39.339 39.000 0.115 0.000 1.209 328 F HN 0.561 nan 8.300 nan 0.000 0.462 329 Y N 2.270 122.872 120.300 0.503 0.000 2.003 329 Y HA -0.304 4.246 4.550 -0.000 0.000 0.261 329 Y C 2.290 178.449 175.900 0.432 0.000 1.211 329 Y CA 2.026 60.420 58.100 0.490 0.000 1.098 329 Y CB -0.908 37.705 38.460 0.255 0.000 0.925 329 Y HN 0.755 nan 8.280 nan 0.000 0.498 330 G N 0.154 109.244 108.800 0.483 0.000 2.766 330 G HA2 -0.423 3.537 3.960 -0.000 0.000 0.222 330 G HA3 -0.423 3.537 3.960 -0.000 0.000 0.222 330 G C 1.351 176.286 174.900 0.058 0.000 1.225 330 G CA 1.547 46.766 45.100 0.198 0.000 0.784 330 G HN 0.553 nan 8.290 nan 0.000 0.631 331 D N 0.634 120.938 120.400 -0.158 0.000 2.346 331 D HA -0.181 4.459 4.640 -0.000 0.000 0.202 331 D C 1.971 177.916 176.300 -0.591 0.000 1.007 331 D CA 1.269 54.991 54.000 -0.463 0.000 0.923 331 D CB -0.478 39.900 40.800 -0.704 0.000 0.891 331 D HN 0.556 nan 8.370 nan 0.000 0.460 332 F N -0.024 120.016 119.950 0.150 0.000 2.582 332 F HA 0.166 4.693 4.527 -0.000 0.000 0.290 332 F C 0.991 176.867 175.800 0.127 0.000 1.115 332 F CA -0.645 57.425 58.000 0.117 0.000 1.445 332 F CB -0.161 38.889 39.000 0.084 0.000 1.126 332 F HN -0.231 nan 8.300 nan 0.000 0.574 333 I N 4.103 124.845 120.570 0.286 0.000 2.581 333 I HA 0.042 4.212 4.170 -0.000 0.000 0.285 333 I C -1.760 174.425 176.117 0.114 0.000 1.129 333 I CA -2.172 59.248 61.300 0.200 0.000 1.397 333 I CB -0.745 37.342 38.000 0.146 0.000 1.399 333 I HN -0.073 nan 8.210 nan 0.000 0.537 334 P HA 0.217 nan 4.420 nan 0.000 0.284 334 P C -0.967 176.370 177.300 0.062 0.000 1.258 334 P CA -0.591 62.553 63.100 0.074 0.000 0.824 334 P CB 1.397 33.143 31.700 0.076 0.000 1.038 335 D N 1.487 121.918 120.400 0.052 0.000 2.225 335 D HA 0.037 4.677 4.640 -0.000 0.000 0.248 335 D C 0.511 176.847 176.300 0.061 0.000 1.096 335 D CA -0.163 53.872 54.000 0.059 0.000 0.863 335 D CB 1.233 42.067 40.800 0.056 0.000 1.156 335 D HN 0.482 nan 8.370 nan 0.000 0.450 336 E N 2.986 123.233 120.200 0.079 0.000 2.562 336 E HA -0.078 4.272 4.350 -0.000 0.000 0.214 336 E C 0.776 177.433 176.600 0.095 0.000 0.979 336 E CA -0.142 56.300 56.400 0.070 0.000 1.002 336 E CB -0.103 29.635 29.700 0.064 0.000 1.048 336 E HN 0.511 nan 8.360 nan 0.000 0.488 337 H N 1.543 120.620 119.070 0.012 0.000 2.436 337 H HA 0.237 4.793 4.556 -0.000 0.000 0.294 337 H C 0.434 175.767 175.328 0.008 0.000 1.048 337 H CA 0.786 56.840 56.048 0.010 0.000 1.353 337 H CB 0.193 29.960 29.762 0.007 0.000 1.414 337 H HN 0.002 nan 8.280 nan 0.000 0.536 338 L N 2.688 123.880 121.223 -0.052 0.000 2.264 338 L HA 0.363 4.703 4.340 -0.000 0.000 0.289 338 L C -2.118 174.714 176.870 -0.065 0.000 1.044 338 L CA -2.196 52.581 54.840 -0.105 0.000 0.807 338 L CB 1.390 43.432 42.059 -0.029 0.000 1.192 338 L HN 0.103 nan 8.230 nan 0.000 0.425 339 P HA 0.057 nan 4.420 nan 0.000 0.268 339 P C -0.126 177.155 177.300 -0.031 0.000 1.205 339 P CA -0.228 62.843 63.100 -0.048 0.000 0.771 339 P CB 0.850 32.518 31.700 -0.053 0.000 0.858 340 S N 3.492 119.179 115.700 -0.021 0.000 2.596 340 S HA 0.166 4.636 4.470 -0.000 0.000 0.260 340 S C -1.601 172.989 174.600 -0.017 0.000 1.336 340 S CA -0.735 57.457 58.200 -0.015 0.000 0.993 340 S CB -0.217 62.976 63.200 -0.010 0.000 0.923 340 S HN 0.242 nan 8.310 nan 0.000 0.567 341 P HA -0.061 nan 4.420 nan 0.000 0.220 341 P C 1.307 178.597 177.300 -0.017 0.000 1.144 341 P CA 0.540 63.631 63.100 -0.014 0.000 0.800 341 P CB -0.067 31.626 31.700 -0.011 0.000 0.772 342 V N 0.317 120.220 119.914 -0.019 0.000 2.231 342 V HA -0.205 3.915 4.120 -0.000 0.000 0.240 342 V C 2.005 178.081 176.094 -0.030 0.000 1.039 342 V CA 2.172 64.457 62.300 -0.025 0.000 0.998 342 V CB -1.126 30.681 31.823 -0.026 0.000 0.639 342 V HN 0.086 nan 8.190 nan 0.000 0.451 343 D N 0.990 121.372 120.400 -0.030 0.000 2.103 343 D HA -0.241 4.399 4.640 -0.000 0.000 0.190 343 D C 2.190 178.474 176.300 -0.028 0.000 0.997 343 D CA 1.923 55.905 54.000 -0.031 0.000 0.833 343 D CB -0.829 39.955 40.800 -0.028 0.000 0.961 343 D HN 0.405 nan 8.370 nan 0.000 0.447 344 A N 1.676 124.481 122.820 -0.026 0.000 1.882 344 A HA -0.268 4.052 4.320 -0.000 0.000 0.220 344 A C 2.433 180.006 177.584 -0.019 0.000 1.253 344 A CA 3.661 55.684 52.037 -0.024 0.000 0.664 344 A CB -1.236 17.751 19.000 -0.022 0.000 0.838 344 A HN 0.333 nan 8.150 nan 0.000 0.460 345 A N -1.871 120.937 122.820 -0.019 0.000 1.858 345 A HA -0.065 4.254 4.320 -0.000 0.000 0.216 345 A C 2.318 179.890 177.584 -0.019 0.000 1.190 345 A CA 2.522 54.548 52.037 -0.017 0.000 0.617 345 A CB -1.513 17.476 19.000 -0.018 0.000 0.827 345 A HN 0.515 nan 8.150 nan 0.000 0.443 346 T N 0.288 114.826 114.554 -0.028 0.000 2.516 346 T HA -0.282 4.068 4.350 -0.000 0.000 0.261 346 T C 2.007 176.694 174.700 -0.021 0.000 1.130 346 T CA 2.112 64.190 62.100 -0.036 0.000 1.193 346 T CB -0.572 68.262 68.868 -0.057 0.000 0.864 346 T HN 0.620 nan 8.240 nan 0.000 0.410 347 Q N 0.822 120.612 119.800 -0.017 0.000 2.268 347 Q HA -0.163 4.177 4.340 -0.000 0.000 0.210 347 Q C 2.615 178.617 176.000 0.003 0.000 0.988 347 Q CA 1.813 57.616 55.803 0.000 0.000 0.883 347 Q CB -0.344 28.393 28.738 -0.002 0.000 0.911 347 Q HN 0.704 nan 8.270 nan 0.000 0.430 348 S N 0.360 116.058 115.700 -0.004 0.000 2.345 348 S HA -0.108 4.362 4.470 -0.000 0.000 0.219 348 S C 1.788 176.389 174.600 0.003 0.000 1.031 348 S CA 0.792 58.992 58.200 -0.001 0.000 0.984 348 S CB -0.417 62.780 63.200 -0.005 0.000 0.874 348 S HN 0.366 nan 8.310 nan 0.000 0.451 349 L N 0.932 122.154 121.223 -0.002 0.000 2.549 349 L HA 0.217 4.556 4.340 -0.000 0.000 0.230 349 L C 1.774 178.649 176.870 0.009 0.000 1.162 349 L CA 0.924 55.764 54.840 0.000 0.000 0.834 349 L CB -0.893 41.161 42.059 -0.008 0.000 0.947 349 L HN 0.459 nan 8.230 nan 0.000 0.452 350 L N -1.135 120.098 121.223 0.015 0.000 2.056 350 L HA 0.002 4.342 4.340 -0.000 0.000 0.202 350 L C 2.391 179.283 176.870 0.036 0.000 1.086 350 L CA 1.846 56.706 54.840 0.034 0.000 0.758 350 L CB -1.061 41.025 42.059 0.044 0.000 0.912 350 L HN 0.182 nan 8.230 nan 0.000 0.446 351 S N -0.034 115.684 115.700 0.030 0.000 2.448 351 S HA -0.266 4.204 4.470 -0.000 0.000 0.247 351 S C 1.417 176.032 174.600 0.026 0.000 1.033 351 S CA 1.565 59.781 58.200 0.027 0.000 1.003 351 S CB -0.627 62.585 63.200 0.020 0.000 0.786 351 S HN 0.568 nan 8.310 nan 0.000 0.495 352 E N 1.090 121.304 120.200 0.024 0.000 2.007 352 E HA -0.080 4.270 4.350 -0.000 0.000 0.204 352 E C 2.004 178.620 176.600 0.027 0.000 0.933 352 E CA 0.679 57.092 56.400 0.022 0.000 0.924 352 E CB -0.302 29.409 29.700 0.017 0.000 0.868 352 E HN 0.163 nan 8.360 nan 0.000 0.535 353 E N 0.956 121.172 120.200 0.028 0.000 2.271 353 E HA -0.248 4.102 4.350 -0.000 0.000 0.209 353 E C 1.866 178.488 176.600 0.038 0.000 1.046 353 E CA 0.986 57.405 56.400 0.032 0.000 0.840 353 E CB -0.346 29.373 29.700 0.032 0.000 0.738 353 E HN 0.218 nan 8.360 nan 0.000 0.470 354 L N 0.764 122.011 121.223 0.040 0.000 1.915 354 L HA -0.264 4.076 4.340 -0.000 0.000 0.225 354 L C 2.649 179.541 176.870 0.038 0.000 1.084 354 L CA 1.930 56.795 54.840 0.041 0.000 0.788 354 L CB -0.956 41.127 42.059 0.040 0.000 0.892 354 L HN 0.282 nan 8.230 nan 0.000 0.434 355 E N 1.160 121.380 120.200 0.033 0.000 2.187 355 E HA -0.282 4.068 4.350 -0.000 0.000 0.199 355 E C 1.682 178.302 176.600 0.033 0.000 1.004 355 E CA 1.574 57.992 56.400 0.030 0.000 0.813 355 E CB -0.308 29.407 29.700 0.026 0.000 0.736 355 E HN 0.461 nan 8.360 nan 0.000 0.468 356 K N 0.695 121.115 120.400 0.035 0.000 1.974 356 K HA -0.183 4.137 4.320 -0.000 0.000 0.231 356 K C 2.337 178.966 176.600 0.048 0.000 1.035 356 K CA 2.038 58.347 56.287 0.037 0.000 1.044 356 K CB -0.646 31.875 32.500 0.036 0.000 0.738 356 K HN 0.252 nan 8.250 nan 0.000 0.447 357 A N 1.517 124.375 122.820 0.063 0.000 1.927 357 A HA -0.229 4.091 4.320 -0.000 0.000 0.220 357 A C 2.134 179.760 177.584 0.071 0.000 1.185 357 A CA 2.004 54.098 52.037 0.095 0.000 0.639 357 A CB -0.843 18.237 19.000 0.133 0.000 0.820 357 A HN 0.458 nan 8.150 nan 0.000 0.451 358 L N 1.093 122.349 121.223 0.054 0.000 2.085 358 L HA -0.297 4.043 4.340 -0.000 0.000 0.218 358 L C 2.626 179.514 176.870 0.030 0.000 1.080 358 L CA 3.211 58.074 54.840 0.039 0.000 0.776 358 L CB -1.015 41.064 42.059 0.034 0.000 0.891 358 L HN 0.595 nan 8.230 nan 0.000 0.437 359 S N -0.688 115.030 115.700 0.030 0.000 2.354 359 S HA -0.236 4.234 4.470 -0.000 0.000 0.219 359 S C 1.825 176.435 174.600 0.017 0.000 1.035 359 S CA 1.214 59.428 58.200 0.024 0.000 1.037 359 S CB -0.848 62.367 63.200 0.024 0.000 0.956 359 S HN 0.477 nan 8.310 nan 0.000 0.428 360 K N 1.484 121.893 120.400 0.016 0.000 2.589 360 K HA 0.147 4.467 4.320 -0.000 0.000 0.195 360 K C 0.600 177.188 176.600 -0.019 0.000 1.042 360 K CA 0.045 56.331 56.287 -0.001 0.000 0.940 360 K CB -1.278 31.221 32.500 -0.002 0.000 0.776 360 K HN 0.420 nan 8.250 nan 0.000 0.487 361 L N 0.466 121.684 121.223 -0.009 0.000 2.472 361 L HA 0.116 4.456 4.340 -0.000 0.000 0.256 361 L C 0.127 176.992 176.870 -0.008 0.000 1.111 361 L CA -0.307 54.523 54.840 -0.018 0.000 0.800 361 L CB 0.950 43.004 42.059 -0.008 0.000 1.286 361 L HN 0.077 nan 8.230 nan 0.000 0.479 362 S N 0.488 116.182 115.700 -0.011 0.000 2.519 362 S HA 0.063 4.533 4.470 -0.000 0.000 0.320 362 S C 0.885 175.496 174.600 0.017 0.000 1.179 362 S CA 0.234 58.434 58.200 -0.001 0.000 1.173 362 S CB -0.527 62.666 63.200 -0.012 0.000 1.224 362 S HN 0.728 nan 8.310 nan 0.000 0.542 363 E N 3.785 124.002 120.200 0.030 0.000 2.194 363 E HA -0.366 3.984 4.350 -0.000 0.000 0.246 363 E C 1.770 178.415 176.600 0.075 0.000 0.974 363 E CA 1.971 58.400 56.400 0.049 0.000 0.949 363 E CB -0.181 29.551 29.700 0.054 0.000 0.896 363 E HN 0.676 nan 8.360 nan 0.000 0.550 364 R N 0.312 120.885 120.500 0.122 0.000 2.171 364 R HA -0.204 4.136 4.340 -0.000 0.000 0.232 364 R C 2.305 178.678 176.300 0.121 0.000 1.116 364 R CA 2.326 58.562 56.100 0.227 0.000 0.901 364 R CB -1.334 29.205 30.300 0.397 0.000 0.850 364 R HN 0.548 nan 8.270 nan 0.000 0.431 365 E N 0.240 120.439 120.200 -0.002 0.000 2.455 365 E HA -0.106 4.243 4.350 -0.000 0.000 0.202 365 E C 1.706 178.263 176.600 -0.072 0.000 1.045 365 E CA 0.796 57.117 56.400 -0.132 0.000 0.872 365 E CB -0.037 29.583 29.700 -0.134 0.000 0.792 365 E HN 0.407 nan 8.360 nan 0.000 0.542 366 A N 1.334 124.145 122.820 -0.015 0.000 1.850 366 A HA -0.136 4.184 4.320 -0.000 0.000 0.212 366 A C 2.205 179.790 177.584 0.002 0.000 1.208 366 A CA 1.002 53.035 52.037 -0.006 0.000 0.609 366 A CB -0.407 18.598 19.000 0.010 0.000 0.860 366 A HN 0.175 nan 8.150 nan 0.000 0.448 367 M N 1.048 120.667 119.600 0.030 0.000 2.149 367 M HA -0.111 4.369 4.480 -0.000 0.000 0.261 367 M C 1.856 178.176 176.300 0.033 0.000 1.064 367 M CA 1.704 57.030 55.300 0.043 0.000 1.102 367 M CB -1.534 31.112 32.600 0.076 0.000 1.369 367 M HN 0.384 nan 8.290 nan 0.000 0.408 368 V N 0.674 120.601 119.914 0.020 0.000 2.313 368 V HA -0.406 3.714 4.120 -0.000 0.000 0.243 368 V C 2.141 178.226 176.094 -0.016 0.000 0.999 368 V CA 2.577 64.866 62.300 -0.018 0.000 1.083 368 V CB -1.636 30.105 31.823 -0.136 0.000 0.738 368 V HN 0.601 nan 8.190 nan 0.000 0.510 369 L N 1.259 122.461 121.223 -0.036 0.000 1.980 369 L HA -0.323 4.017 4.340 -0.000 0.000 0.232 369 L C 2.898 179.757 176.870 -0.018 0.000 1.092 369 L CA 3.420 58.242 54.840 -0.029 0.000 0.808 369 L CB -1.363 40.680 42.059 -0.027 0.000 0.908 369 L HN 0.764 nan 8.230 nan 0.000 0.442 370 K N 0.677 121.072 120.400 -0.008 0.000 2.052 370 K HA -0.247 4.073 4.320 -0.000 0.000 0.215 370 K C 2.040 178.642 176.600 0.003 0.000 1.053 370 K CA 2.138 58.425 56.287 -0.000 0.000 0.934 370 K CB -0.939 31.567 32.500 0.009 0.000 0.717 370 K HN 0.255 nan 8.250 nan 0.000 0.450 371 L N 0.508 121.741 121.223 0.017 0.000 2.010 371 L HA -0.274 4.066 4.340 -0.000 0.000 0.219 371 L C 3.075 179.948 176.870 0.005 0.000 1.077 371 L CA 1.884 56.741 54.840 0.028 0.000 0.773 371 L CB -0.556 41.540 42.059 0.062 0.000 0.892 371 L HN 0.323 nan 8.230 nan 0.000 0.436 372 R N 0.324 120.817 120.500 -0.012 0.000 2.075 372 R HA -0.156 4.184 4.340 -0.000 0.000 0.230 372 R C 2.289 178.552 176.300 -0.060 0.000 1.140 372 R CA 1.943 58.016 56.100 -0.045 0.000 0.928 372 R CB -0.367 29.895 30.300 -0.063 0.000 0.834 372 R HN 0.193 nan 8.270 nan 0.000 0.429 373 K N -1.161 119.205 120.400 -0.056 0.000 2.172 373 K HA 0.074 4.394 4.320 -0.000 0.000 0.203 373 K C 1.973 178.557 176.600 -0.027 0.000 1.040 373 K CA 1.346 57.600 56.287 -0.055 0.000 0.974 373 K CB -0.713 31.752 32.500 -0.059 0.000 0.857 373 K HN 0.268 nan 8.250 nan 0.000 0.464 374 G N 2.418 111.209 108.800 -0.016 0.000 2.562 374 G HA2 -0.237 3.723 3.960 -0.000 0.000 0.223 374 G HA3 -0.237 3.723 3.960 -0.000 0.000 0.223 374 G C 1.342 176.242 174.900 0.001 0.000 1.102 374 G CA 1.400 46.498 45.100 -0.003 0.000 0.742 374 G HN 0.353 nan 8.290 nan 0.000 0.587 375 L N -0.610 120.612 121.223 -0.002 0.000 3.277 375 L HA 0.487 4.827 4.340 -0.000 0.000 0.178 375 L C 2.422 179.289 176.870 -0.004 0.000 1.384 375 L CA 0.142 54.983 54.840 0.003 0.000 1.254 375 L CB -0.765 41.300 42.059 0.011 0.000 1.593 375 L HN 0.095 nan 8.230 nan 0.000 0.748 376 I N -0.097 120.468 120.570 -0.008 0.000 2.071 376 I HA -0.164 4.006 4.170 -0.000 0.000 0.214 376 I C 0.146 176.246 176.117 -0.029 0.000 1.020 376 I CA 1.997 63.287 61.300 -0.016 0.000 1.334 376 I CB -0.110 37.877 38.000 -0.021 0.000 1.073 376 I HN 0.492 nan 8.210 nan 0.000 0.388 377 D N -0.919 119.447 120.400 -0.056 0.000 2.738 377 D HA 0.314 4.954 4.640 -0.000 0.000 0.229 377 D C -1.023 175.181 176.300 -0.159 0.000 1.200 377 D CA 0.654 54.607 54.000 -0.078 0.000 0.746 377 D CB 1.672 42.437 40.800 -0.057 0.000 1.597 377 D HN 0.638 nan 8.370 nan 0.000 0.471 378 G N 2.232 110.915 108.800 -0.196 0.000 3.436 378 G HA2 0.228 4.188 3.960 -0.000 0.000 0.685 378 G HA3 0.228 4.188 3.960 -0.000 0.000 0.685 378 G C -0.636 174.080 174.900 -0.307 0.000 1.039 378 G CA -0.143 44.697 45.100 -0.433 0.000 0.879 378 G HN 0.687 nan 8.290 nan 0.000 0.478 379 R N 2.063 122.486 120.500 -0.129 0.000 2.393 379 R HA 0.778 5.118 4.340 -0.000 0.000 0.310 379 R C 0.642 177.017 176.300 0.125 0.000 0.968 379 R CA -0.151 55.942 56.100 -0.011 0.000 0.867 379 R CB 1.402 31.706 30.300 0.007 0.000 1.124 379 R HN 0.968 nan 8.270 nan 0.000 0.450 380 E N 1.431 121.678 120.200 0.079 0.000 2.637 380 E HA -0.271 4.079 4.350 -0.000 0.000 0.265 380 E C -0.735 175.971 176.600 0.176 0.000 1.073 380 E CA 0.636 57.092 56.400 0.094 0.000 0.778 380 E CB -1.039 28.693 29.700 0.054 0.000 1.362 380 E HN 0.893 nan 8.360 nan 0.000 0.413 381 H N 0.003 119.056 119.070 -0.030 0.000 2.820 381 H HA 0.048 4.604 4.556 -0.000 0.000 0.291 381 H C 1.569 176.878 175.328 -0.031 0.000 1.412 381 H CA 0.131 56.163 56.048 -0.026 0.000 1.176 381 H CB 0.206 29.955 29.762 -0.023 0.000 1.467 381 H HN 0.254 nan 8.280 nan 0.000 0.517 382 T N 0.886 115.480 114.554 0.067 0.000 2.374 382 T HA -0.372 3.978 4.350 -0.000 0.000 0.217 382 T C 2.124 176.831 174.700 0.013 0.000 1.488 382 T CA 1.730 63.840 62.100 0.017 0.000 1.061 382 T CB -0.582 68.283 68.868 -0.005 0.000 0.819 382 T HN 0.434 nan 8.240 nan 0.000 0.445 383 L N 1.259 122.488 121.223 0.009 0.000 2.151 383 L HA -0.257 4.083 4.340 -0.000 0.000 0.215 383 L C 2.842 179.719 176.870 0.012 0.000 1.084 383 L CA 1.936 56.780 54.840 0.007 0.000 0.764 383 L CB -0.742 41.317 42.059 0.001 0.000 0.891 383 L HN 0.545 nan 8.230 nan 0.000 0.435 384 E N -0.395 119.823 120.200 0.029 0.000 2.042 384 E HA -0.146 4.204 4.350 -0.000 0.000 0.189 384 E C 1.940 178.528 176.600 -0.020 0.000 0.974 384 E CA 0.643 57.053 56.400 0.017 0.000 0.806 384 E CB -0.141 29.590 29.700 0.051 0.000 0.769 384 E HN 0.515 nan 8.360 nan 0.000 0.451 385 E N 1.285 121.480 120.200 -0.009 0.000 2.187 385 E HA -0.228 4.122 4.350 -0.000 0.000 0.199 385 E C 2.442 179.019 176.600 -0.038 0.000 1.004 385 E CA 1.730 58.108 56.400 -0.036 0.000 0.813 385 E CB -0.524 29.161 29.700 -0.024 0.000 0.736 385 E HN 0.261 nan 8.360 nan 0.000 0.468 386 V N -0.758 119.144 119.914 -0.019 0.000 2.223 386 V HA -0.120 4.000 4.120 -0.000 0.000 0.244 386 V C 2.257 178.347 176.094 -0.007 0.000 1.045 386 V CA 2.170 64.472 62.300 0.003 0.000 1.000 386 V CB -1.408 30.420 31.823 0.009 0.000 0.635 386 V HN 0.220 nan 8.190 nan 0.000 0.445 387 G N -0.859 107.922 108.800 -0.032 0.000 2.679 387 G HA2 0.115 4.074 3.960 -0.000 0.000 0.212 387 G HA3 0.115 4.074 3.960 -0.000 0.000 0.212 387 G C 1.563 176.314 174.900 -0.248 0.000 1.137 387 G CA 0.938 46.009 45.100 -0.048 0.000 0.787 387 G HN 0.972 nan 8.290 nan 0.000 0.534 388 A N 0.526 123.174 122.820 -0.286 0.000 1.872 388 A HA 0.169 4.489 4.320 -0.000 0.000 0.214 388 A C 1.927 178.961 177.584 -0.917 0.000 1.187 388 A CA 0.890 52.625 52.037 -0.504 0.000 0.614 388 A CB -0.415 18.449 19.000 -0.226 0.000 0.826 388 A HN 0.326 nan 8.150 nan 0.000 0.442 389 F N -0.996 118.613 119.950 -0.568 0.000 2.802 389 F HA 0.212 4.739 4.527 -0.000 0.000 0.300 389 F C -0.289 175.404 175.800 -0.178 0.000 1.168 389 F CA -0.478 57.313 58.000 -0.349 0.000 1.433 389 F CB -0.382 38.558 39.000 -0.100 0.000 1.115 389 F HN 0.240 nan 8.300 nan 0.000 0.582 390 F N -1.126 118.861 119.950 0.063 0.000 3.023 390 F HA -0.147 4.380 4.527 -0.000 0.000 0.297 390 F C 0.875 176.692 175.800 0.028 0.000 0.858 390 F CA 0.198 58.199 58.000 0.001 0.000 1.222 390 F CB -1.635 37.317 39.000 -0.080 0.000 1.263 390 F HN 0.168 nan 8.300 nan 0.000 0.565 391 G N -1.436 107.469 108.800 0.175 0.000 3.091 391 G HA2 0.332 4.291 3.960 -0.000 0.000 0.137 391 G HA3 0.332 4.291 3.960 -0.000 0.000 0.137 391 G C -0.373 174.602 174.900 0.126 0.000 1.180 391 G CA -0.056 45.139 45.100 0.157 0.000 1.466 391 G HN 0.281 nan 8.290 nan 0.000 0.704 392 V N 2.553 122.556 119.914 0.148 0.000 2.923 392 V HA 0.098 4.218 4.120 -0.000 0.000 0.286 392 V C 1.112 177.235 176.094 0.048 0.000 1.376 392 V CA 1.153 63.505 62.300 0.086 0.000 1.423 392 V CB 0.541 32.407 31.823 0.071 0.000 0.865 392 V HN 0.657 nan 8.190 nan 0.000 0.514 393 T N 6.042 120.612 114.554 0.027 0.000 2.868 393 T HA 0.172 4.521 4.350 -0.000 0.000 0.292 393 T C 1.447 176.145 174.700 -0.003 0.000 1.028 393 T CA 0.025 62.133 62.100 0.013 0.000 1.059 393 T CB 0.627 69.501 68.868 0.010 0.000 0.991 393 T HN 0.855 nan 8.240 nan 0.000 0.531 394 R N 1.647 122.143 120.500 -0.006 0.000 2.154 394 R HA -0.181 4.159 4.340 -0.000 0.000 0.248 394 R C 1.855 178.143 176.300 -0.020 0.000 1.155 394 R CA 1.558 57.648 56.100 -0.015 0.000 0.979 394 R CB -0.332 29.961 30.300 -0.012 0.000 0.869 394 R HN 0.583 nan 8.270 nan 0.000 0.452 395 E N 1.700 121.891 120.200 -0.015 0.000 2.086 395 E HA -0.268 4.082 4.350 -0.000 0.000 0.200 395 E C 2.026 178.613 176.600 -0.022 0.000 1.012 395 E CA 1.856 58.246 56.400 -0.016 0.000 0.812 395 E CB -0.174 29.520 29.700 -0.010 0.000 0.743 395 E HN 0.531 nan 8.360 nan 0.000 0.453 396 R N 0.050 120.535 120.500 -0.024 0.000 2.090 396 R HA -0.035 4.305 4.340 -0.000 0.000 0.228 396 R C 2.733 179.003 176.300 -0.051 0.000 1.110 396 R CA 1.145 57.225 56.100 -0.033 0.000 0.973 396 R CB -0.275 30.007 30.300 -0.030 0.000 0.869 396 R HN 0.188 nan 8.270 nan 0.000 0.440 397 I N 0.952 121.489 120.570 -0.056 0.000 2.194 397 I HA -0.361 3.809 4.170 -0.000 0.000 0.246 397 I C 2.800 178.882 176.117 -0.058 0.000 1.093 397 I CA 1.330 62.587 61.300 -0.071 0.000 1.355 397 I CB -0.497 37.466 38.000 -0.062 0.000 1.046 397 I HN 0.290 nan 8.210 nan 0.000 0.413 398 R N 1.303 121.777 120.500 -0.043 0.000 2.115 398 R HA -0.268 4.072 4.340 -0.000 0.000 0.239 398 R C 2.189 178.463 176.300 -0.043 0.000 1.133 398 R CA 2.333 58.410 56.100 -0.038 0.000 0.935 398 R CB -0.518 29.763 30.300 -0.032 0.000 0.853 398 R HN 0.510 nan 8.270 nan 0.000 0.433 399 Q N 0.217 119.991 119.800 -0.043 0.000 1.975 399 Q HA -0.185 4.155 4.340 -0.000 0.000 0.205 399 Q C 2.404 178.372 176.000 -0.052 0.000 0.990 399 Q CA 2.122 57.899 55.803 -0.044 0.000 0.845 399 Q CB -0.395 28.320 28.738 -0.040 0.000 0.913 399 Q HN 0.381 nan 8.270 nan 0.000 0.420 400 I N 1.026 121.557 120.570 -0.065 0.000 2.224 400 I HA -0.449 3.721 4.170 -0.000 0.000 0.223 400 I C 2.606 178.682 176.117 -0.069 0.000 0.979 400 I CA 2.005 63.257 61.300 -0.079 0.000 1.295 400 I CB -0.810 37.120 38.000 -0.117 0.000 1.002 400 I HN 0.427 nan 8.210 nan 0.000 0.381 401 E N 1.581 121.739 120.200 -0.071 0.000 2.164 401 E HA -0.380 3.970 4.350 -0.000 0.000 0.233 401 E C 1.676 178.248 176.600 -0.047 0.000 1.073 401 E CA 2.603 58.969 56.400 -0.056 0.000 0.941 401 E CB -0.533 29.137 29.700 -0.049 0.000 0.820 401 E HN 0.576 nan 8.360 nan 0.000 0.486 402 N N 0.442 119.114 118.700 -0.047 0.000 2.067 402 N HA -0.260 4.480 4.740 -0.000 0.000 0.190 402 N C 1.881 177.363 175.510 -0.047 0.000 1.013 402 N CA 1.785 54.807 53.050 -0.047 0.000 0.892 402 N CB -0.316 38.142 38.487 -0.047 0.000 1.067 402 N HN 0.136 nan 8.380 nan 0.000 0.641 403 K N 0.790 121.162 120.400 -0.047 0.000 2.059 403 K HA -0.176 4.144 4.320 -0.000 0.000 0.212 403 K C 2.165 178.744 176.600 -0.035 0.000 1.050 403 K CA 1.367 57.628 56.287 -0.043 0.000 0.927 403 K CB -0.815 31.660 32.500 -0.041 0.000 0.714 403 K HN 0.325 nan 8.250 nan 0.000 0.447 404 A N 1.809 124.605 122.820 -0.039 0.000 1.869 404 A HA -0.232 4.088 4.320 -0.000 0.000 0.218 404 A C 2.378 179.952 177.584 -0.017 0.000 1.203 404 A CA 2.006 54.023 52.037 -0.034 0.000 0.638 404 A CB -0.956 18.016 19.000 -0.046 0.000 0.831 404 A HN 0.241 nan 8.150 nan 0.000 0.450 405 L N -1.404 119.808 121.223 -0.020 0.000 1.921 405 L HA -0.269 4.071 4.340 -0.000 0.000 0.219 405 L C 2.776 179.651 176.870 0.007 0.000 1.081 405 L CA 2.037 56.873 54.840 -0.007 0.000 0.771 405 L CB -1.004 41.044 42.059 -0.019 0.000 0.888 405 L HN 0.386 nan 8.230 nan 0.000 0.433 406 R N 0.342 120.832 120.500 -0.017 0.000 2.206 406 R HA -0.244 4.096 4.340 -0.000 0.000 0.240 406 R C 2.283 178.596 176.300 0.022 0.000 1.117 406 R CA 1.858 57.940 56.100 -0.030 0.000 0.915 406 R CB -0.679 29.572 30.300 -0.082 0.000 0.888 406 R HN 0.253 nan 8.270 nan 0.000 0.432 407 K N 0.508 120.915 120.400 0.012 0.000 2.148 407 K HA -0.243 4.076 4.320 -0.000 0.000 0.213 407 K C 2.043 178.716 176.600 0.122 0.000 1.050 407 K CA 1.482 57.794 56.287 0.040 0.000 0.932 407 K CB -0.599 31.897 32.500 -0.007 0.000 0.717 407 K HN 0.148 nan 8.250 nan 0.000 0.462 408 L N 1.636 122.940 121.223 0.135 0.000 1.950 408 L HA -0.206 4.134 4.340 -0.000 0.000 0.210 408 L C 2.332 179.394 176.870 0.321 0.000 1.079 408 L CA 2.216 57.234 54.840 0.297 0.000 0.754 408 L CB -0.963 41.195 42.059 0.165 0.000 0.889 408 L HN 0.232 nan 8.230 nan 0.000 0.433 409 K N -1.063 119.437 120.400 0.167 0.000 2.005 409 K HA -0.359 3.961 4.320 -0.000 0.000 0.229 409 K C 2.051 178.745 176.600 0.156 0.000 1.050 409 K CA 2.749 59.112 56.287 0.127 0.000 0.994 409 K CB -1.833 30.741 32.500 0.123 0.000 0.736 409 K HN 0.306 nan 8.250 nan 0.000 0.448 410 Y N 1.675 121.988 120.300 0.022 0.000 2.241 410 Y HA -0.250 4.300 4.550 -0.000 0.000 0.286 410 Y C 2.791 178.703 175.900 0.020 0.000 1.166 410 Y CA 1.866 59.975 58.100 0.015 0.000 1.203 410 Y CB -0.654 37.823 38.460 0.028 0.000 0.977 410 Y HN 0.511 nan 8.280 nan 0.000 0.529 411 H N -0.907 118.248 119.070 0.142 0.000 2.462 411 H HA -0.055 4.501 4.556 -0.000 0.000 0.292 411 H C 1.190 176.540 175.328 0.037 0.000 1.049 411 H CA 1.454 57.544 56.048 0.071 0.000 1.334 411 H CB 0.191 29.988 29.762 0.058 0.000 1.404 411 H HN 0.217 nan 8.280 nan 0.000 0.544 412 E N 0.896 120.774 120.200 -0.536 0.000 2.481 412 E HA 0.013 4.363 4.350 -0.000 0.000 0.195 412 E C 1.996 178.457 176.600 -0.232 0.000 1.047 412 E CA 0.156 56.260 56.400 -0.493 0.000 0.867 412 E CB 0.150 29.691 29.700 -0.264 0.000 0.858 412 E HN 0.420 nan 8.360 nan 0.000 0.513 413 S N 0.756 116.355 115.700 -0.170 0.000 2.500 413 S HA -0.084 4.386 4.470 -0.000 0.000 0.239 413 S C 1.706 176.223 174.600 -0.138 0.000 0.989 413 S CA 0.769 58.874 58.200 -0.158 0.000 0.951 413 S CB 0.187 63.235 63.200 -0.253 0.000 0.759 413 S HN 0.130 nan 8.310 nan 0.000 0.523 414 R N 1.109 121.520 120.500 -0.148 0.000 2.024 414 R HA 0.154 4.494 4.340 -0.000 0.000 0.216 414 R C 0.802 177.041 176.300 -0.103 0.000 1.259 414 R CA 0.864 56.902 56.100 -0.104 0.000 1.001 414 R CB -0.873 29.384 30.300 -0.071 0.000 0.881 414 R HN 0.054 nan 8.270 nan 0.000 0.459 415 T N 3.054 117.519 114.554 -0.148 0.000 3.474 415 T HA 0.143 4.493 4.350 -0.000 0.000 0.270 415 T C -0.299 174.344 174.700 -0.095 0.000 1.079 415 T CA -0.083 61.955 62.100 -0.103 0.000 1.110 415 T CB -0.103 68.707 68.868 -0.097 0.000 1.087 415 T HN -0.032 nan 8.240 nan 0.000 0.784 416 R N 3.375 123.836 120.500 -0.065 0.000 2.399 416 R HA 0.237 4.577 4.340 -0.000 0.000 0.324 416 R C 0.707 176.993 176.300 -0.024 0.000 1.030 416 R CA 0.286 56.358 56.100 -0.046 0.000 0.984 416 R CB 0.418 30.697 30.300 -0.037 0.000 0.961 416 R HN 0.653 nan 8.270 nan 0.000 0.433 417 K N 1.421 121.813 120.400 -0.013 0.000 3.248 417 K HA 0.120 4.440 4.320 -0.000 0.000 0.255 417 K C 1.636 178.255 176.600 0.031 0.000 1.395 417 K CA -0.242 56.049 56.287 0.007 0.000 1.139 417 K CB -0.178 32.328 32.500 0.010 0.000 2.091 417 K HN 0.048 nan 8.250 nan 0.000 0.408 418 L N 2.343 123.598 121.223 0.053 0.000 2.263 418 L HA -0.100 4.240 4.340 -0.000 0.000 0.216 418 L C 2.106 179.056 176.870 0.134 0.000 1.111 418 L CA 1.273 56.181 54.840 0.113 0.000 0.773 418 L CB -0.987 41.141 42.059 0.114 0.000 0.906 418 L HN 0.222 nan 8.230 nan 0.000 0.439 419 R N 1.806 122.348 120.500 0.069 0.000 2.222 419 R HA -0.229 4.111 4.340 -0.000 0.000 0.235 419 R C 0.370 176.727 176.300 0.095 0.000 1.112 419 R CA 2.134 58.269 56.100 0.058 0.000 0.897 419 R CB -1.433 28.876 30.300 0.014 0.000 0.882 419 R HN 0.531 nan 8.270 nan 0.000 0.429 420 D N 1.256 121.695 120.400 0.064 0.000 2.479 420 D HA -0.089 4.551 4.640 -0.000 0.000 0.253 420 D C -0.163 176.188 176.300 0.086 0.000 1.278 420 D CA -0.050 53.983 54.000 0.054 0.000 1.145 420 D CB -0.817 39.990 40.800 0.012 0.000 1.118 420 D HN 0.092 nan 8.370 nan 0.000 0.513 421 F N 2.755 122.702 119.950 -0.005 0.000 2.623 421 F HA -0.062 4.465 4.527 -0.000 0.000 0.386 421 F C 0.397 176.196 175.800 -0.001 0.000 1.068 421 F CA -0.480 57.519 58.000 -0.002 0.000 1.265 421 F CB 0.318 39.318 39.000 0.001 0.000 1.026 421 F HN 0.158 nan 8.300 nan 0.000 0.568 422 L N 0.000 120.679 121.223 -0.906 0.000 2.949 422 L HA 0.000 4.340 4.340 -0.000 0.000 0.249 422 L CA 0.000 54.350 54.840 -0.816 0.000 0.813 422 L CB 0.000 41.828 42.059 -0.385 0.000 0.961 422 L HN 0.000 nan 8.230 nan 0.000 0.502