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 3hbp_1_A DATA FIRST_RESID 94 DATA SEQUENCE QDPFAGDPPR HPGLRVNSQK PFNAEPPAEL LAERFLTPNE LFFTRNHLPV DATA SEQUENCE PAVEPSSYRL RVDGPGGGTL SLSLAELRSR FPKHEVTATL QSAGNRRSEM DATA SEQUENCE SRVRPVKGLP WDIGAISTAR WGGARLRDVL LHAGFPEELQ GEWHVCFEGL DATA SEQUENCE DADPGGAPYG ASIPYGRALS PAADVLLAYE MNGTELPRDH GFPVRVVVPG DATA SEQUENCE VVGARSVKWL RRVAVSPDES PSHWQQNDYK GFSPCVDWDT VDYRTAPAIQ DATA SEQUENCE ELPVQSAVTQ PRPGAAVPPG ELTVKGYAWS GGGREVVRVD VSLDGGRTWK DATA SEQUENCE VARLMGDKAP PGRAWAWALW ELTVPVEAGT ELEIVCKAVD SSYNVQPDSV DATA SEQUENCE APIWNLRGVL STAWHRVRVS VQD 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 94 Q HA 0.000 nan 4.340 nan 0.000 0.214 94 Q C 0.000 176.012 176.000 0.020 0.000 1.003 94 Q CA 0.000 55.811 55.803 0.013 0.000 1.022 94 Q CB 0.000 28.749 28.738 0.018 0.000 1.108 95 D N 1.659 122.080 120.400 0.036 0.000 2.493 95 D HA 0.262 4.902 4.640 0.001 0.000 0.240 95 D C -1.594 174.721 176.300 0.026 0.000 1.142 95 D CA -0.510 53.532 54.000 0.070 0.000 0.872 95 D CB 1.547 42.399 40.800 0.087 0.000 1.173 95 D HN 0.270 nan 8.370 nan 0.000 0.467 96 P HA 0.107 nan 4.420 nan 0.000 0.239 96 P C 0.587 177.687 177.300 -0.333 0.000 1.188 96 P CA 0.399 63.379 63.100 -0.200 0.000 0.794 96 P CB 0.203 31.714 31.700 -0.316 0.000 0.937 97 F N -0.916 119.025 119.950 -0.015 0.000 2.727 97 F HA 0.321 4.848 4.527 0.001 0.000 0.302 97 F C 2.106 177.889 175.800 -0.028 0.000 1.097 97 F CA -0.072 57.916 58.000 -0.020 0.000 1.330 97 F CB -0.706 38.295 39.000 0.001 0.000 1.084 97 F HN -0.152 nan 8.300 nan 0.000 0.578 98 A N 0.378 123.258 122.820 0.100 0.000 1.986 98 A HA -0.130 4.191 4.320 0.001 0.000 0.220 98 A C 2.440 180.035 177.584 0.019 0.000 1.171 98 A CA 1.829 53.897 52.037 0.053 0.000 0.640 98 A CB -1.255 17.761 19.000 0.026 0.000 0.811 98 A HN 0.388 nan 8.150 nan 0.000 0.451 99 G N -0.911 107.885 108.800 -0.007 0.000 3.088 99 G HA2 0.238 4.198 3.960 0.001 0.000 0.212 99 G HA3 0.238 4.198 3.960 0.001 0.000 0.212 99 G C -0.263 174.619 174.900 -0.030 0.000 1.173 99 G CA 0.040 45.123 45.100 -0.028 0.000 0.779 99 G HN 0.371 nan 8.290 nan 0.000 0.540 100 D N 1.558 121.958 120.400 0.000 0.000 2.423 100 D HA 0.232 4.873 4.640 0.001 0.000 0.238 100 D C -1.586 174.683 176.300 -0.052 0.000 1.142 100 D CA -0.951 53.044 54.000 -0.008 0.000 0.884 100 D CB 1.265 42.102 40.800 0.061 0.000 1.199 100 D HN 0.110 nan 8.370 nan 0.000 0.438 101 P HA 0.235 nan 4.420 nan 0.000 0.272 101 P C -2.675 174.542 177.300 -0.139 0.000 1.230 101 P CA -1.148 61.897 63.100 -0.091 0.000 0.788 101 P CB -0.001 31.651 31.700 -0.079 0.000 0.949 102 P HA 0.435 nan 4.420 nan 0.000 0.279 102 P C -0.439 176.777 177.300 -0.141 0.000 1.252 102 P CA -0.334 62.692 63.100 -0.123 0.000 0.811 102 P CB 0.670 32.327 31.700 -0.073 0.000 1.035 103 R N -0.493 119.915 120.500 -0.153 0.000 2.892 103 R HA 0.452 4.792 4.340 0.001 0.000 0.265 103 R C -0.378 175.940 176.300 0.030 0.000 1.025 103 R CA -0.883 55.165 56.100 -0.086 0.000 0.982 103 R CB 0.109 30.292 30.300 -0.194 0.000 1.185 103 R HN 0.513 nan 8.270 nan 0.000 0.484 104 H N 2.707 121.790 119.070 0.022 0.000 2.964 104 H HA 0.053 4.609 4.556 0.001 0.000 0.328 104 H C -1.297 174.071 175.328 0.065 0.000 1.030 104 H CA -0.916 55.160 56.048 0.046 0.000 1.445 104 H CB 0.989 30.791 29.762 0.067 0.000 1.449 104 H HN 0.347 nan 8.280 nan 0.000 0.581 105 P HA -0.084 nan 4.420 nan 0.000 0.219 105 P C 1.072 178.367 177.300 -0.009 0.000 1.146 105 P CA 1.469 64.494 63.100 -0.124 0.000 0.808 105 P CB 0.184 31.774 31.700 -0.183 0.000 0.779 106 G N -0.709 108.124 108.800 0.054 0.000 3.088 106 G HA2 0.171 4.132 3.960 0.001 0.000 0.212 106 G HA3 0.171 4.132 3.960 0.001 0.000 0.212 106 G C 0.529 175.523 174.900 0.156 0.000 1.173 106 G CA -0.238 44.937 45.100 0.126 0.000 0.779 106 G HN 0.201 nan 8.290 nan 0.000 0.540 107 L N 0.667 122.000 121.223 0.184 0.000 2.453 107 L HA 0.359 4.699 4.340 0.001 0.000 0.261 107 L C 0.354 177.299 176.870 0.125 0.000 1.179 107 L CA -0.853 54.098 54.840 0.184 0.000 0.813 107 L CB 0.702 42.916 42.059 0.257 0.000 1.110 107 L HN -0.011 nan 8.230 nan 0.000 0.466 108 R N 2.229 122.794 120.500 0.107 0.000 2.419 108 R HA 0.249 4.589 4.340 0.001 0.000 0.305 108 R C -0.942 175.362 176.300 0.006 0.000 1.242 108 R CA -0.375 55.762 56.100 0.061 0.000 1.105 108 R CB -0.198 30.145 30.300 0.072 0.000 1.116 108 R HN 0.264 nan 8.270 nan 0.000 0.523 109 V N 4.223 124.115 119.914 -0.037 0.000 2.432 109 V HA 0.002 4.123 4.120 0.001 0.000 0.271 109 V C 1.234 177.209 176.094 -0.198 0.000 1.046 109 V CA -0.433 61.768 62.300 -0.165 0.000 0.945 109 V CB 0.900 32.663 31.823 -0.100 0.000 0.992 109 V HN 0.690 nan 8.190 nan 0.000 0.471 110 N N 2.257 120.768 118.700 -0.315 0.000 2.325 110 N HA 0.069 4.810 4.740 0.001 0.000 0.182 110 N C 0.307 175.643 175.510 -0.290 0.000 1.088 110 N CA 0.191 53.051 53.050 -0.315 0.000 0.879 110 N CB 0.697 38.903 38.487 -0.468 0.000 0.983 110 N HN 0.522 nan 8.380 nan 0.000 0.471 111 S N -0.918 114.587 115.700 -0.326 0.000 2.592 111 S HA 0.237 4.707 4.470 0.001 0.000 0.275 111 S C -0.324 174.118 174.600 -0.264 0.000 1.169 111 S CA -0.599 57.447 58.200 -0.257 0.000 0.958 111 S CB 1.584 64.638 63.200 -0.243 0.000 1.095 111 S HN 0.074 nan 8.310 nan 0.000 0.471 112 Q N 3.459 123.169 119.800 -0.150 0.000 2.165 112 Q HA 0.335 4.675 4.340 0.001 0.000 0.197 112 Q C -0.420 175.503 176.000 -0.129 0.000 0.952 112 Q CA 1.457 57.247 55.803 -0.022 0.000 0.848 112 Q CB 0.271 29.005 28.738 -0.006 0.000 0.931 112 Q HN 0.644 nan 8.270 nan 0.000 0.470 113 K N 1.768 121.961 120.400 -0.345 0.000 2.656 113 K HA 0.353 4.674 4.320 0.001 0.000 0.241 113 K C -2.579 173.674 176.600 -0.579 0.000 0.967 113 K CA -1.760 54.004 56.287 -0.871 0.000 0.946 113 K CB 1.984 33.906 32.500 -0.965 0.000 1.164 113 K HN 0.166 nan 8.250 nan 0.000 0.459 114 P HA 0.071 nan 4.420 nan 0.000 0.274 114 P C -0.666 176.609 177.300 -0.040 0.000 1.246 114 P CA -0.460 62.563 63.100 -0.129 0.000 0.795 114 P CB 0.594 32.444 31.700 0.250 0.000 1.006 115 F N 2.208 122.132 119.950 -0.043 0.000 2.445 115 F HA 0.260 4.788 4.527 0.001 0.000 0.359 115 F C 0.187 176.007 175.800 0.034 0.000 1.101 115 F CA 0.175 58.162 58.000 -0.023 0.000 1.177 115 F CB 0.181 39.188 39.000 0.012 0.000 1.110 115 F HN 0.181 nan 8.300 nan 0.000 0.522 116 N N 5.393 123.711 118.700 -0.637 0.000 2.500 116 N HA 0.614 5.354 4.740 0.001 0.000 0.291 116 N C -1.615 173.595 175.510 -0.500 0.000 1.092 116 N CA -0.500 52.353 53.050 -0.329 0.000 0.890 116 N CB 1.851 40.219 38.487 -0.199 0.000 1.466 116 N HN 0.643 nan 8.380 nan 0.000 0.507 117 A N 1.645 124.368 122.820 -0.162 0.000 2.587 117 A HA 0.668 4.988 4.320 0.001 0.000 0.293 117 A C -1.107 176.694 177.584 0.363 0.000 1.087 117 A CA -0.736 51.272 52.037 -0.048 0.000 0.692 117 A CB 1.944 20.828 19.000 -0.194 0.000 1.291 117 A HN 0.646 nan 8.150 nan 0.000 0.407 118 E N 1.196 121.588 120.200 0.320 0.000 2.312 118 E HA 0.703 5.054 4.350 0.001 0.000 0.267 118 E C -2.940 173.780 176.600 0.201 0.000 0.894 118 E CA -2.248 54.341 56.400 0.314 0.000 0.773 118 E CB 2.531 32.421 29.700 0.316 0.000 1.241 118 E HN 0.351 nan 8.360 nan 0.000 0.432 119 P HA 0.188 nan 4.420 nan 0.000 0.272 119 P C -2.479 174.881 177.300 0.100 0.000 1.223 119 P CA -1.466 61.705 63.100 0.118 0.000 0.784 119 P CB -0.295 31.450 31.700 0.075 0.000 0.923 120 P HA -0.016 nan 4.420 nan 0.000 0.265 120 P C 0.836 178.175 177.300 0.065 0.000 1.193 120 P CA 0.370 63.517 63.100 0.079 0.000 0.765 120 P CB 0.100 31.845 31.700 0.074 0.000 0.823 121 A N 3.553 126.413 122.820 0.067 0.000 2.076 121 A HA -0.220 4.101 4.320 0.001 0.000 0.220 121 A C 1.729 179.334 177.584 0.035 0.000 1.160 121 A CA 1.603 53.678 52.037 0.063 0.000 0.653 121 A CB -0.898 18.149 19.000 0.078 0.000 0.801 121 A HN 0.528 nan 8.150 nan 0.000 0.455 122 E N -0.172 120.047 120.200 0.031 0.000 2.204 122 E HA -0.057 4.293 4.350 0.001 0.000 0.194 122 E C 1.663 178.265 176.600 0.004 0.000 0.989 122 E CA 0.909 57.317 56.400 0.013 0.000 0.824 122 E CB -0.194 29.518 29.700 0.020 0.000 0.756 122 E HN 0.675 nan 8.360 nan 0.000 0.477 123 L N -0.501 120.733 121.223 0.018 0.000 2.408 123 L HA 0.101 4.442 4.340 0.001 0.000 0.215 123 L C 1.899 178.775 176.870 0.009 0.000 1.081 123 L CA -0.127 54.721 54.840 0.014 0.000 0.840 123 L CB -0.114 41.961 42.059 0.027 0.000 1.002 123 L HN 0.157 nan 8.230 nan 0.000 0.468 124 L N 1.252 122.486 121.223 0.018 0.000 2.021 124 L HA -0.205 4.135 4.340 0.001 0.000 0.215 124 L C 2.021 178.886 176.870 -0.009 0.000 1.074 124 L CA 2.324 57.184 54.840 0.034 0.000 0.760 124 L CB -0.481 41.608 42.059 0.050 0.000 0.889 124 L HN 0.177 nan 8.230 nan 0.000 0.433 125 A N -1.882 120.875 122.820 -0.105 0.000 2.545 125 A HA 0.135 4.456 4.320 0.001 0.000 0.277 125 A C 1.875 179.368 177.584 -0.152 0.000 1.301 125 A CA 0.287 52.179 52.037 -0.243 0.000 0.935 125 A CB -0.546 18.242 19.000 -0.353 0.000 1.093 125 A HN 0.546 nan 8.150 nan 0.000 0.519 126 E N 0.392 120.552 120.200 -0.068 0.000 2.110 126 E HA -0.075 4.275 4.350 0.001 0.000 0.193 126 E C 0.790 177.387 176.600 -0.004 0.000 0.988 126 E CA 0.803 57.182 56.400 -0.035 0.000 0.804 126 E CB 0.090 29.783 29.700 -0.012 0.000 0.745 126 E HN 0.514 nan 8.360 nan 0.000 0.458 127 R N -1.085 119.433 120.500 0.030 0.000 2.673 127 R HA 0.168 4.508 4.340 0.001 0.000 0.281 127 R C -0.042 176.375 176.300 0.196 0.000 0.991 127 R CA -0.504 55.656 56.100 0.099 0.000 0.896 127 R CB 0.815 31.165 30.300 0.083 0.000 1.201 127 R HN 0.068 nan 8.270 nan 0.000 0.457 128 F N 2.816 122.837 119.950 0.119 0.000 2.102 128 F HA 0.030 4.557 4.527 0.001 0.000 0.298 128 F C 0.326 176.342 175.800 0.361 0.000 1.105 128 F CA 1.265 59.424 58.000 0.265 0.000 1.239 128 F CB 0.309 39.414 39.000 0.174 0.000 0.991 128 F HN 0.265 nan 8.300 nan 0.000 0.474 129 L N 1.864 123.208 121.223 0.201 0.000 2.260 129 L HA 0.225 4.565 4.340 0.001 0.000 0.289 129 L C 0.102 176.974 176.870 0.005 0.000 1.057 129 L CA -0.631 54.212 54.840 0.004 0.000 0.811 129 L CB 0.892 42.962 42.059 0.020 0.000 1.184 129 L HN -0.095 nan 8.230 nan 0.000 0.429 130 T N 4.524 119.043 114.554 -0.057 0.000 2.817 130 T HA 0.141 4.492 4.350 0.001 0.000 0.295 130 T C -2.221 172.469 174.700 -0.016 0.000 0.958 130 T CA -0.960 61.125 62.100 -0.024 0.000 1.157 130 T CB 0.292 69.081 68.868 -0.131 0.000 0.898 130 T HN 0.316 nan 8.240 nan 0.000 0.536 131 P HA 0.088 nan 4.420 nan 0.000 0.266 131 P C 0.724 177.999 177.300 -0.042 0.000 1.193 131 P CA -0.253 62.818 63.100 -0.048 0.000 0.770 131 P CB 0.481 32.147 31.700 -0.057 0.000 0.836 132 N N 1.705 120.349 118.700 -0.092 0.000 2.192 132 N HA -0.186 4.554 4.740 0.001 0.000 0.188 132 N C 1.074 176.590 175.510 0.009 0.000 1.013 132 N CA 1.484 54.465 53.050 -0.116 0.000 0.863 132 N CB -0.425 37.984 38.487 -0.130 0.000 0.990 132 N HN 0.556 nan 8.380 nan 0.000 0.430 133 E N -0.235 119.961 120.200 -0.006 0.000 2.358 133 E HA 0.057 4.407 4.350 0.001 0.000 0.195 133 E C 1.423 178.052 176.600 0.049 0.000 1.010 133 E CA 0.472 56.881 56.400 0.016 0.000 0.856 133 E CB -0.021 29.609 29.700 -0.116 0.000 0.795 133 E HN 0.366 nan 8.360 nan 0.000 0.504 134 L N -0.571 120.673 121.223 0.035 0.000 2.638 134 L HA 0.248 4.589 4.340 0.001 0.000 0.232 134 L C 0.273 177.225 176.870 0.138 0.000 1.099 134 L CA -0.537 54.343 54.840 0.067 0.000 0.883 134 L CB 0.209 42.266 42.059 -0.002 0.000 1.136 134 L HN 0.084 nan 8.230 nan 0.000 0.492 135 F N 2.585 122.527 119.950 -0.013 0.000 2.602 135 F HA -0.014 4.514 4.527 0.002 0.000 0.385 135 F C 0.748 176.620 175.800 0.120 0.000 1.063 135 F CA -1.101 56.866 58.000 -0.055 0.000 1.233 135 F CB 0.221 38.992 39.000 -0.381 0.000 1.067 135 F HN -0.036 nan 8.300 nan 0.000 0.564 136 F N 4.019 123.904 119.950 -0.109 0.000 2.595 136 F HA 0.346 4.874 4.527 0.002 0.000 0.359 136 F C -0.197 175.812 175.800 0.348 0.000 1.147 136 F CA -0.664 57.377 58.000 0.068 0.000 1.341 136 F CB -0.273 38.623 39.000 -0.174 0.000 1.104 136 F HN 0.355 nan 8.300 nan 0.000 0.603 137 T N 4.426 119.069 114.554 0.149 0.000 2.812 137 T HA 0.495 4.845 4.350 0.001 0.000 0.282 137 T C -0.967 173.811 174.700 0.130 0.000 0.990 137 T CA -0.700 61.438 62.100 0.064 0.000 0.960 137 T CB 1.148 70.177 68.868 0.269 0.000 0.948 137 T HN 0.763 nan 8.240 nan 0.000 0.438 138 R N 3.280 123.778 120.500 -0.003 0.000 2.412 138 R HA 0.446 4.787 4.340 0.001 0.000 0.304 138 R C -1.415 174.912 176.300 0.045 0.000 1.066 138 R CA -0.584 55.593 56.100 0.128 0.000 0.923 138 R CB -0.075 30.330 30.300 0.175 0.000 1.156 138 R HN 0.374 nan 8.270 nan 0.000 0.513 139 N N 2.512 121.270 118.700 0.097 0.000 2.392 139 N HA 0.206 4.947 4.740 0.001 0.000 0.283 139 N C -0.193 175.340 175.510 0.038 0.000 1.003 139 N CA -0.569 52.570 53.050 0.147 0.000 0.892 139 N CB 1.394 40.046 38.487 0.275 0.000 1.193 139 N HN 0.589 nan 8.380 nan 0.000 0.487 140 H N 0.502 119.597 119.070 0.041 0.000 2.512 140 H HA 0.323 4.880 4.556 0.001 0.000 0.279 140 H C 0.073 175.497 175.328 0.160 0.000 0.999 140 H CA 0.861 56.955 56.048 0.077 0.000 1.283 140 H CB 0.515 30.233 29.762 -0.074 0.000 1.421 140 H HN 0.323 nan 8.280 nan 0.000 0.554 141 L N -1.079 120.291 121.223 0.244 0.000 2.397 141 L HA 0.412 4.753 4.340 0.001 0.000 0.251 141 L C -2.452 174.478 176.870 0.100 0.000 1.064 141 L CA -2.614 52.327 54.840 0.169 0.000 0.859 141 L CB 2.124 44.216 42.059 0.055 0.000 1.468 141 L HN -0.214 nan 8.230 nan 0.000 0.411 142 P HA 0.021 nan 4.420 nan 0.000 0.267 142 P C -0.818 176.273 177.300 -0.348 0.000 1.200 142 P CA -0.162 62.713 63.100 -0.376 0.000 0.772 142 P CB 0.392 31.693 31.700 -0.665 0.000 0.855 143 V N 5.844 125.580 119.914 -0.297 0.000 2.470 143 V HA 0.130 4.250 4.120 0.001 0.000 0.276 143 V C -1.812 173.950 176.094 -0.553 0.000 1.040 143 V CA -1.292 60.671 62.300 -0.562 0.000 1.008 143 V CB 0.126 31.820 31.823 -0.215 0.000 0.990 143 V HN 0.576 nan 8.190 nan 0.000 0.477 144 P HA 0.220 nan 4.420 nan 0.000 0.266 144 P C -0.603 176.566 177.300 -0.218 0.000 1.195 144 P CA 0.023 62.850 63.100 -0.456 0.000 0.768 144 P CB 0.543 31.955 31.700 -0.481 0.000 0.838 145 A N 3.117 125.878 122.820 -0.097 0.000 2.253 145 A HA 0.508 4.828 4.320 0.001 0.000 0.316 145 A C -0.558 177.064 177.584 0.062 0.000 1.327 145 A CA -0.446 51.589 52.037 -0.002 0.000 0.917 145 A CB 0.158 19.146 19.000 -0.019 0.000 1.162 145 A HN 0.345 nan 8.150 nan 0.000 0.535 146 V N 2.930 122.941 119.914 0.162 0.000 2.448 146 V HA 0.312 4.433 4.120 0.001 0.000 0.295 146 V C 0.185 176.422 176.094 0.238 0.000 1.025 146 V CA -0.796 61.618 62.300 0.189 0.000 0.859 146 V CB 1.614 33.537 31.823 0.167 0.000 0.988 146 V HN 0.902 nan 8.190 nan 0.000 0.431 147 E N 7.312 127.614 120.200 0.170 0.000 2.180 147 E HA 0.220 4.571 4.350 0.001 0.000 0.283 147 E C -1.632 175.073 176.600 0.175 0.000 1.061 147 E CA -1.849 54.647 56.400 0.160 0.000 0.861 147 E CB 1.940 31.703 29.700 0.106 0.000 1.056 147 E HN 0.378 nan 8.360 nan 0.000 0.407 148 P HA -0.193 nan 4.420 nan 0.000 0.215 148 P C 1.356 178.729 177.300 0.122 0.000 1.153 148 P CA 1.399 64.587 63.100 0.146 0.000 0.853 148 P CB 0.114 31.950 31.700 0.226 0.000 0.788 149 S N 0.180 115.945 115.700 0.109 0.000 2.368 149 S HA -0.110 4.360 4.470 0.001 0.000 0.224 149 S C 2.085 176.740 174.600 0.092 0.000 1.029 149 S CA 1.657 59.908 58.200 0.086 0.000 0.988 149 S CB -1.484 61.753 63.200 0.061 0.000 0.838 149 S HN 0.309 nan 8.310 nan 0.000 0.462 150 S N -0.439 115.320 115.700 0.099 0.000 2.558 150 S HA 0.162 4.633 4.470 0.001 0.000 0.217 150 S C 0.431 175.085 174.600 0.090 0.000 0.975 150 S CA -0.678 57.568 58.200 0.076 0.000 0.912 150 S CB -0.968 62.268 63.200 0.060 0.000 0.776 150 S HN 0.612 nan 8.310 nan 0.000 0.526 151 Y N 3.617 123.922 120.300 0.007 0.000 2.717 151 Y HA 0.315 4.865 4.550 0.001 0.000 0.330 151 Y C 0.168 176.068 175.900 0.000 0.000 1.217 151 Y CA -0.023 58.075 58.100 -0.004 0.000 1.506 151 Y CB 0.372 38.808 38.460 -0.040 0.000 1.268 151 Y HN 0.062 nan 8.280 nan 0.000 0.561 152 R N 6.862 126.900 120.500 -0.769 0.000 2.532 152 R HA 0.302 4.642 4.340 0.001 0.000 0.297 152 R C -1.780 174.014 176.300 -0.843 0.000 0.984 152 R CA -1.229 54.489 56.100 -0.638 0.000 0.884 152 R CB 1.591 31.736 30.300 -0.257 0.000 1.182 152 R HN 0.788 nan 8.270 nan 0.000 0.442 153 L N 3.060 123.916 121.223 -0.612 0.000 2.290 153 L HA 0.413 4.753 4.340 0.001 0.000 0.284 153 L C 0.211 177.025 176.870 -0.094 0.000 1.078 153 L CA 0.030 54.714 54.840 -0.260 0.000 0.815 153 L CB 0.599 42.662 42.059 0.007 0.000 1.162 153 L HN 0.518 nan 8.230 nan 0.000 0.435 154 R N 4.926 125.400 120.500 -0.043 0.000 2.229 154 R HA 0.614 4.955 4.340 0.001 0.000 0.328 154 R C -1.774 174.563 176.300 0.061 0.000 1.009 154 R CA -0.582 55.523 56.100 0.009 0.000 0.864 154 R CB 0.911 31.215 30.300 0.006 0.000 1.085 154 R HN 0.593 nan 8.270 nan 0.000 0.453 155 V N 4.597 124.561 119.914 0.084 0.000 2.378 155 V HA 0.197 4.318 4.120 0.001 0.000 0.288 155 V C -0.578 175.603 176.094 0.144 0.000 1.016 155 V CA -0.980 61.396 62.300 0.127 0.000 0.840 155 V CB 1.541 33.454 31.823 0.150 0.000 0.994 155 V HN 0.783 nan 8.190 nan 0.000 0.431 156 D N 4.040 124.542 120.400 0.170 0.000 2.343 156 D HA 0.369 5.009 4.640 0.001 0.000 0.255 156 D C 0.604 177.066 176.300 0.271 0.000 1.187 156 D CA 0.383 54.488 54.000 0.175 0.000 0.875 156 D CB 2.063 42.965 40.800 0.169 0.000 1.136 156 D HN 0.688 nan 8.370 nan 0.000 0.469 157 G N 2.267 111.130 108.800 0.104 0.000 2.616 157 G HA2 0.239 4.199 3.960 0.001 0.000 0.268 157 G HA3 0.239 4.199 3.960 0.001 0.000 0.268 157 G C -1.510 173.209 174.900 -0.301 0.000 1.213 157 G CA -0.981 44.045 45.100 -0.124 0.000 0.926 157 G HN 0.221 nan 8.290 nan 0.000 0.523 158 P HA -0.044 nan 4.420 nan 0.000 0.218 158 P C 1.699 178.868 177.300 -0.218 0.000 1.148 158 P CA 1.601 64.289 63.100 -0.687 0.000 0.822 158 P CB 0.185 31.416 31.700 -0.782 0.000 0.784 159 G N -2.206 106.484 108.800 -0.183 0.000 3.042 159 G HA2 0.303 4.263 3.960 0.001 0.000 0.212 159 G HA3 0.303 4.263 3.960 0.001 0.000 0.212 159 G C 1.100 175.981 174.900 -0.032 0.000 1.166 159 G CA 0.427 45.475 45.100 -0.086 0.000 0.767 159 G HN 0.409 nan 8.290 nan 0.000 0.546 160 G N -1.130 107.664 108.800 -0.010 0.000 2.213 160 G HA2 -0.069 3.891 3.960 0.001 0.000 0.236 160 G HA3 -0.069 3.891 3.960 0.001 0.000 0.236 160 G C 0.909 175.816 174.900 0.013 0.000 0.991 160 G CA 0.227 45.340 45.100 0.021 0.000 0.629 160 G HN 1.045 nan 8.290 nan 0.000 0.517 161 G N -0.722 108.072 108.800 -0.011 0.000 2.683 161 G HA2 0.515 4.475 3.960 0.001 0.000 0.260 161 G HA3 0.515 4.475 3.960 0.001 0.000 0.260 161 G C -0.167 174.739 174.900 0.009 0.000 1.238 161 G CA 0.899 45.994 45.100 -0.008 0.000 0.934 161 G HN 0.719 nan 8.290 nan 0.000 0.534 162 T N 0.153 114.714 114.554 0.012 0.000 2.841 162 T HA 0.395 4.745 4.350 0.001 0.000 0.285 162 T C -0.570 174.146 174.700 0.026 0.000 0.991 162 T CA -0.279 61.838 62.100 0.029 0.000 0.966 162 T CB 1.591 70.477 68.868 0.029 0.000 0.962 162 T HN 0.446 nan 8.240 nan 0.000 0.438 163 L N 2.912 124.162 121.223 0.046 0.000 2.334 163 L HA 0.776 5.116 4.340 0.001 0.000 0.277 163 L C -0.072 176.835 176.870 0.063 0.000 1.075 163 L CA 0.171 55.045 54.840 0.058 0.000 0.804 163 L CB 1.579 43.688 42.059 0.084 0.000 1.174 163 L HN 0.585 nan 8.230 nan 0.000 0.438 164 S N 5.257 120.991 115.700 0.057 0.000 2.605 164 S HA 0.703 5.174 4.470 0.001 0.000 0.308 164 S C -1.115 173.511 174.600 0.045 0.000 1.113 164 S CA -0.620 57.596 58.200 0.027 0.000 1.049 164 S CB 0.430 63.633 63.200 0.004 0.000 1.001 164 S HN 0.597 nan 8.310 nan 0.000 0.480 165 L N 4.372 125.615 121.223 0.033 0.000 2.349 165 L HA 0.507 4.848 4.340 0.001 0.000 0.278 165 L C 0.467 177.358 176.870 0.036 0.000 0.996 165 L CA -0.691 54.194 54.840 0.076 0.000 0.825 165 L CB 2.194 44.347 42.059 0.158 0.000 1.243 165 L HN 0.759 nan 8.230 nan 0.000 0.412 166 S N 1.858 117.591 115.700 0.054 0.000 2.600 166 S HA 0.169 4.639 4.470 0.001 0.000 0.265 166 S C 0.956 175.644 174.600 0.148 0.000 1.325 166 S CA -0.660 57.590 58.200 0.083 0.000 1.002 166 S CB 1.244 64.478 63.200 0.057 0.000 0.921 166 S HN 0.579 nan 8.310 nan 0.000 0.554 167 L N 1.777 123.123 121.223 0.206 0.000 2.043 167 L HA -0.041 4.300 4.340 0.001 0.000 0.212 167 L C 2.633 179.488 176.870 -0.026 0.000 1.075 167 L CA 2.513 57.400 54.840 0.078 0.000 0.752 167 L CB -1.612 40.438 42.059 -0.016 0.000 0.891 167 L HN 0.955 nan 8.230 nan 0.000 0.432 168 A N -0.968 121.847 122.820 -0.008 0.000 1.902 168 A HA -0.237 4.083 4.320 0.001 0.000 0.217 168 A C 2.158 179.723 177.584 -0.031 0.000 1.181 168 A CA 1.823 53.838 52.037 -0.037 0.000 0.623 168 A CB -0.646 18.344 19.000 -0.017 0.000 0.818 168 A HN 0.616 nan 8.150 nan 0.000 0.443 169 E N -0.822 119.383 120.200 0.007 0.000 2.085 169 E HA -0.202 4.148 4.350 0.001 0.000 0.194 169 E C 1.918 178.559 176.600 0.069 0.000 0.994 169 E CA 1.226 57.633 56.400 0.012 0.000 0.801 169 E CB -0.269 29.457 29.700 0.044 0.000 0.743 169 E HN 0.463 nan 8.360 nan 0.000 0.453 170 L N 1.225 122.532 121.223 0.140 0.000 2.083 170 L HA -0.170 4.170 4.340 0.001 0.000 0.209 170 L C 2.142 179.120 176.870 0.181 0.000 1.083 170 L CA 1.659 56.660 54.840 0.269 0.000 0.752 170 L CB -0.131 42.049 42.059 0.202 0.000 0.899 170 L HN -0.045 nan 8.230 nan 0.000 0.433 171 R N -1.270 119.166 120.500 -0.106 0.000 2.090 171 R HA -0.070 4.270 4.340 0.001 0.000 0.228 171 R C 2.296 178.575 176.300 -0.035 0.000 1.110 171 R CA 1.466 57.438 56.100 -0.215 0.000 0.973 171 R CB -0.273 29.809 30.300 -0.364 0.000 0.869 171 R HN 0.599 nan 8.270 nan 0.000 0.440 172 S N -0.182 115.491 115.700 -0.045 0.000 2.475 172 S HA 0.003 4.474 4.470 0.001 0.000 0.224 172 S C 1.936 176.461 174.600 -0.125 0.000 1.042 172 S CA -0.036 58.126 58.200 -0.064 0.000 0.935 172 S CB 0.124 63.283 63.200 -0.069 0.000 0.801 172 S HN 0.180 nan 8.310 nan 0.000 0.509 173 R N -0.080 120.276 120.500 -0.240 0.000 2.200 173 R HA 0.253 4.594 4.340 0.001 0.000 0.208 173 R C -0.891 174.968 176.300 -0.734 0.000 1.033 173 R CA 0.449 56.201 56.100 -0.581 0.000 1.000 173 R CB 0.089 29.838 30.300 -0.917 0.000 0.906 173 R HN 0.401 nan 8.270 nan 0.000 0.462 174 F N 1.116 121.052 119.950 -0.023 0.000 2.507 174 F HA 0.431 4.959 4.527 0.001 0.000 0.325 174 F C -2.051 173.776 175.800 0.046 0.000 1.116 174 F CA -3.266 54.736 58.000 0.005 0.000 0.930 174 F CB 1.379 40.394 39.000 0.025 0.000 1.146 174 F HN -0.131 nan 8.300 nan 0.000 0.447 175 P HA -0.014 nan 4.420 nan 0.000 0.261 175 P C -0.490 176.928 177.300 0.195 0.000 1.183 175 P CA -0.203 62.989 63.100 0.154 0.000 0.761 175 P CB 0.483 32.253 31.700 0.116 0.000 0.785 176 K N 2.939 123.455 120.400 0.193 0.000 2.401 176 K HA 0.089 4.409 4.320 0.001 0.000 0.278 176 K C -0.455 176.256 176.600 0.185 0.000 1.018 176 K CA -0.062 56.343 56.287 0.197 0.000 0.981 176 K CB 0.140 32.760 32.500 0.200 0.000 0.933 176 K HN 0.532 nan 8.250 nan 0.000 0.477 177 H N 1.984 121.068 119.070 0.023 0.000 2.600 177 H HA 0.288 4.845 4.556 0.001 0.000 0.357 177 H C -1.255 174.071 175.328 -0.004 0.000 1.106 177 H CA -0.677 55.381 56.048 0.017 0.000 1.193 177 H CB 1.263 31.032 29.762 0.012 0.000 1.594 177 H HN 0.535 nan 8.280 nan 0.000 0.526 178 E N 3.696 123.664 120.200 -0.387 0.000 2.166 178 E HA 0.408 4.758 4.350 0.001 0.000 0.275 178 E C -0.843 175.600 176.600 -0.262 0.000 0.941 178 E CA -0.825 55.435 56.400 -0.233 0.000 0.784 178 E CB 2.534 32.145 29.700 -0.149 0.000 1.115 178 E HN 0.276 nan 8.360 nan 0.000 0.399 179 V N 2.349 122.235 119.914 -0.047 0.000 2.623 179 V HA 0.234 4.354 4.120 0.001 0.000 0.304 179 V C -0.192 176.003 176.094 0.169 0.000 1.054 179 V CA -0.810 61.538 62.300 0.080 0.000 0.882 179 V CB 2.149 34.024 31.823 0.088 0.000 1.002 179 V HN 0.597 nan 8.190 nan 0.000 0.424 180 T N 4.593 119.265 114.554 0.197 0.000 2.728 180 T HA 0.699 5.049 4.350 0.001 0.000 0.296 180 T C 0.076 174.948 174.700 0.287 0.000 0.940 180 T CA -0.074 62.134 62.100 0.181 0.000 1.013 180 T CB 0.984 69.975 68.868 0.206 0.000 0.912 180 T HN 0.984 nan 8.240 nan 0.000 0.484 181 A N 3.127 126.117 122.820 0.283 0.000 2.422 181 A HA 0.698 5.019 4.320 0.001 0.000 0.302 181 A C 0.093 177.772 177.584 0.157 0.000 1.041 181 A CA -0.890 51.329 52.037 0.303 0.000 0.708 181 A CB 1.244 20.375 19.000 0.218 0.000 1.257 181 A HN 0.591 nan 8.150 nan 0.000 0.414 182 T N 3.158 117.696 114.554 -0.026 0.000 2.749 182 T HA 0.460 4.811 4.350 0.001 0.000 0.295 182 T C -0.060 174.410 174.700 -0.385 0.000 0.936 182 T CA 0.137 61.978 62.100 -0.431 0.000 1.060 182 T CB -0.068 68.277 68.868 -0.870 0.000 0.904 182 T HN 0.416 nan 8.240 nan 0.000 0.500 183 L N 3.871 124.955 121.223 -0.232 0.000 2.275 183 L HA 0.506 4.847 4.340 0.001 0.000 0.288 183 L C 0.281 176.953 176.870 -0.330 0.000 1.046 183 L CA -0.536 54.218 54.840 -0.144 0.000 0.805 183 L CB 1.233 43.411 42.059 0.199 0.000 1.193 183 L HN 0.561 nan 8.230 nan 0.000 0.426 184 Q N 2.267 121.797 119.800 -0.451 0.000 2.323 184 Q HA 0.315 4.655 4.340 0.001 0.000 0.271 184 Q C -0.865 174.893 176.000 -0.402 0.000 1.048 184 Q CA -0.450 54.996 55.803 -0.595 0.000 0.792 184 Q CB 2.510 30.841 28.738 -0.678 0.000 1.280 184 Q HN 0.657 nan 8.270 nan 0.000 0.441 185 S N 2.257 117.621 115.700 -0.559 0.000 2.580 185 S HA 0.320 4.790 4.470 0.001 0.000 0.274 185 S C 1.099 175.544 174.600 -0.259 0.000 1.329 185 S CA 0.456 58.422 58.200 -0.389 0.000 1.036 185 S CB 1.157 63.964 63.200 -0.656 0.000 0.919 185 S HN 0.766 nan 8.310 nan 0.000 0.515 186 A N 3.914 126.657 122.820 -0.128 0.000 1.986 186 A HA 0.061 4.382 4.320 0.001 0.000 0.220 186 A C 1.849 179.466 177.584 0.054 0.000 1.171 186 A CA 1.733 53.777 52.037 0.011 0.000 0.640 186 A CB -1.225 17.863 19.000 0.145 0.000 0.811 186 A HN 1.146 nan 8.150 nan 0.000 0.451 187 G N -0.788 108.047 108.800 0.059 0.000 3.284 187 G HA2 0.158 4.119 3.960 0.001 0.000 0.236 187 G HA3 0.158 4.119 3.960 0.001 0.000 0.236 187 G C 0.337 175.274 174.900 0.062 0.000 1.158 187 G CA 0.014 45.209 45.100 0.159 0.000 0.774 187 G HN 0.472 nan 8.290 nan 0.000 0.545 188 N N 1.304 119.905 118.700 -0.165 0.000 2.357 188 N HA -0.020 4.720 4.740 0.001 0.000 0.257 188 N C 1.125 176.645 175.510 0.018 0.000 1.250 188 N CA 0.295 53.239 53.050 -0.177 0.000 0.862 188 N CB 0.003 38.323 38.487 -0.278 0.000 1.066 188 N HN 0.347 nan 8.380 nan 0.000 0.468 189 R N 0.331 120.880 120.500 0.081 0.000 3.878 189 R HA -0.265 4.075 4.340 0.001 0.000 0.330 189 R C 1.212 177.589 176.300 0.128 0.000 1.186 189 R CA 1.007 57.165 56.100 0.097 0.000 0.885 189 R CB -1.564 28.774 30.300 0.064 0.000 1.377 189 R HN 0.701 nan 8.270 nan 0.000 0.523 190 R N 1.470 122.074 120.500 0.174 0.000 2.105 190 R HA -0.174 4.166 4.340 0.001 0.000 0.239 190 R C 2.136 178.521 176.300 0.142 0.000 1.135 190 R CA 2.261 58.458 56.100 0.162 0.000 0.967 190 R CB -0.166 30.267 30.300 0.222 0.000 0.861 190 R HN 0.455 nan 8.270 nan 0.000 0.442 191 S N -0.126 115.662 115.700 0.145 0.000 2.399 191 S HA -0.160 4.311 4.470 0.001 0.000 0.231 191 S C 1.660 176.339 174.600 0.132 0.000 1.022 191 S CA 1.379 59.653 58.200 0.124 0.000 0.983 191 S CB -0.168 63.096 63.200 0.106 0.000 0.803 191 S HN 0.506 nan 8.310 nan 0.000 0.480 192 E N 0.517 120.801 120.200 0.140 0.000 2.110 192 E HA -0.047 4.303 4.350 0.001 0.000 0.193 192 E C 2.035 178.733 176.600 0.163 0.000 0.988 192 E CA 1.261 57.751 56.400 0.149 0.000 0.804 192 E CB -0.240 29.556 29.700 0.161 0.000 0.745 192 E HN 0.598 nan 8.360 nan 0.000 0.458 193 M N 0.057 119.756 119.600 0.165 0.000 2.229 193 M HA -0.137 4.343 4.480 0.001 0.000 0.264 193 M C 1.978 178.467 176.300 0.315 0.000 1.063 193 M CA 1.121 56.551 55.300 0.218 0.000 1.114 193 M CB 0.227 32.883 32.600 0.095 0.000 1.387 193 M HN -0.047 nan 8.290 nan 0.000 0.420 194 S N -0.181 115.659 115.700 0.233 0.000 2.453 194 S HA -0.046 4.425 4.470 0.001 0.000 0.231 194 S C 1.692 176.406 174.600 0.190 0.000 1.005 194 S CA 0.748 59.090 58.200 0.238 0.000 0.949 194 S CB -0.244 63.055 63.200 0.164 0.000 0.774 194 S HN 0.475 nan 8.310 nan 0.000 0.510 195 R N 0.418 121.012 120.500 0.158 0.000 2.152 195 R HA -0.023 4.317 4.340 0.001 0.000 0.232 195 R C 1.919 178.274 176.300 0.090 0.000 1.117 195 R CA 0.899 57.066 56.100 0.112 0.000 0.981 195 R CB -0.210 30.151 30.300 0.101 0.000 0.870 195 R HN 0.254 nan 8.270 nan 0.000 0.451 196 V N -0.291 119.694 119.914 0.118 0.000 2.346 196 V HA -0.044 4.077 4.120 0.001 0.000 0.244 196 V C 0.885 176.930 176.094 -0.081 0.000 1.037 196 V CA 1.098 63.413 62.300 0.025 0.000 1.029 196 V CB -0.210 31.644 31.823 0.051 0.000 0.663 196 V HN 0.223 nan 8.190 nan 0.000 0.454 197 R N -0.343 120.147 120.500 -0.017 0.000 2.560 197 R HA 0.290 4.630 4.340 0.001 0.000 0.267 197 R C -3.136 173.331 176.300 0.280 0.000 1.150 197 R CA -1.467 54.573 56.100 -0.100 0.000 0.997 197 R CB 2.242 32.089 30.300 -0.754 0.000 1.250 197 R HN 0.051 nan 8.270 nan 0.000 0.433 198 P HA -0.029 nan 4.420 nan 0.000 0.265 198 P C -0.707 176.827 177.300 0.389 0.000 1.187 198 P CA -0.214 63.042 63.100 0.261 0.000 0.766 198 P CB 0.678 32.481 31.700 0.172 0.000 0.820 199 V N 0.083 120.175 119.914 0.296 0.000 3.046 199 V HA 0.593 4.714 4.120 0.001 0.000 0.316 199 V C -0.316 175.900 176.094 0.202 0.000 1.104 199 V CA -1.125 61.309 62.300 0.223 0.000 1.006 199 V CB 2.152 34.011 31.823 0.061 0.000 1.058 199 V HN 0.159 nan 8.190 nan 0.000 0.440 200 K N 1.547 122.090 120.400 0.239 0.000 2.234 200 K HA 0.760 5.081 4.320 0.001 0.000 0.282 200 K C 0.237 176.960 176.600 0.205 0.000 1.039 200 K CA 0.719 57.164 56.287 0.264 0.000 0.928 200 K CB 0.937 33.707 32.500 0.450 0.000 1.039 200 K HN 1.528 nan 8.250 nan 0.000 0.470 201 G N 1.343 110.236 108.800 0.155 0.000 2.359 201 G HA2 -0.024 3.937 3.960 0.001 0.000 0.314 201 G HA3 -0.024 3.937 3.960 0.001 0.000 0.314 201 G C -1.300 173.625 174.900 0.041 0.000 1.364 201 G CA -1.141 44.042 45.100 0.138 0.000 0.978 201 G HN 0.385 nan 8.290 nan 0.000 0.615 202 L N 1.659 122.866 121.223 -0.026 0.000 2.455 202 L HA 0.298 4.639 4.340 0.001 0.000 0.272 202 L C -1.345 175.317 176.870 -0.348 0.000 1.174 202 L CA -1.257 53.408 54.840 -0.293 0.000 0.869 202 L CB 0.907 42.631 42.059 -0.559 0.000 1.130 202 L HN 0.358 nan 8.230 nan 0.000 0.474 203 P HA -0.004 nan 4.420 nan 0.000 0.220 203 P C -0.837 176.377 177.300 -0.143 0.000 1.806 203 P CA -0.429 62.584 63.100 -0.147 0.000 0.976 203 P CB -0.373 31.274 31.700 -0.087 0.000 1.952 204 W N 1.302 122.615 121.300 0.022 0.000 2.314 204 W HA 0.022 4.682 4.660 -0.000 0.000 0.339 204 W C 1.131 177.655 176.519 0.008 0.000 1.293 204 W CA 0.028 57.374 57.345 0.002 0.000 1.288 204 W CB 0.138 29.589 29.460 -0.016 0.000 1.186 204 W HN 0.247 nan 8.180 nan 0.000 0.566 205 D N 1.658 122.215 120.400 0.261 0.000 2.530 205 D HA 0.164 4.804 4.640 0.001 0.000 0.282 205 D C 1.239 177.621 176.300 0.136 0.000 1.204 205 D CA -0.646 53.452 54.000 0.164 0.000 1.093 205 D CB 0.604 41.481 40.800 0.129 0.000 1.154 205 D HN 0.366 nan 8.370 nan 0.000 0.593 206 I N -2.145 118.470 120.570 0.075 0.000 3.454 206 I HA 0.256 4.427 4.170 0.001 0.000 0.297 206 I C 0.976 177.135 176.117 0.070 0.000 1.298 206 I CA 0.470 61.797 61.300 0.045 0.000 1.297 206 I CB -0.531 37.434 38.000 -0.058 0.000 1.017 206 I HN 0.224 nan 8.210 nan 0.000 0.528 207 G N 0.773 109.579 108.800 0.010 0.000 3.651 207 G HA2 0.496 4.457 3.960 0.001 0.000 0.279 207 G HA3 0.496 4.457 3.960 0.001 0.000 0.279 207 G C 0.782 175.481 174.900 -0.335 0.000 1.024 207 G CA 0.239 45.288 45.100 -0.087 0.000 0.813 207 G HN 0.470 nan 8.290 nan 0.000 0.518 208 A N 0.953 123.443 122.820 -0.550 0.000 3.033 208 A HA 0.661 4.981 4.320 0.001 0.000 0.250 208 A C -0.145 176.384 177.584 -1.759 0.000 1.633 208 A CA -0.116 51.124 52.037 -1.329 0.000 1.290 208 A CB -0.655 17.453 19.000 -1.487 0.000 1.048 208 A HN 0.549 nan 8.150 nan 0.000 0.648 209 I N -0.708 118.983 120.570 -1.465 0.000 2.710 209 I HA 0.475 4.645 4.170 0.001 0.000 0.290 209 I C -1.164 174.423 176.117 -0.883 0.000 1.318 209 I CA 0.110 60.735 61.300 -1.124 0.000 1.045 209 I CB 1.916 39.398 38.000 -0.863 0.000 1.307 209 I HN 0.149 nan 8.210 nan 0.000 0.424 210 S N 3.215 118.349 115.700 -0.944 0.000 2.596 210 S HA 0.670 5.141 4.470 0.001 0.000 0.270 210 S C -1.266 172.612 174.600 -1.203 0.000 1.155 210 S CA -0.693 56.750 58.200 -1.261 0.000 0.827 210 S CB 2.318 64.384 63.200 -1.889 0.000 1.130 210 S HN 0.620 nan 8.310 nan 0.000 0.467 211 T N 1.486 115.395 114.554 -1.075 0.000 2.848 211 T HA 0.841 5.191 4.350 0.001 0.000 0.285 211 T C -0.771 173.731 174.700 -0.331 0.000 0.995 211 T CA -0.488 61.143 62.100 -0.781 0.000 0.970 211 T CB 1.593 69.579 68.868 -1.469 0.000 0.976 211 T HN 0.900 nan 8.240 nan 0.000 0.441 212 A N 2.516 125.127 122.820 -0.348 0.000 2.556 212 A HA 0.826 5.146 4.320 0.001 0.000 0.294 212 A C -0.680 176.431 177.584 -0.787 0.000 1.091 212 A CA -0.999 50.618 52.037 -0.699 0.000 0.704 212 A CB 1.433 19.633 19.000 -1.333 0.000 1.300 212 A HN 0.759 nan 8.150 nan 0.000 0.406 213 R N 0.762 120.908 120.500 -0.590 0.000 2.248 213 R HA 0.363 4.704 4.340 0.001 0.000 0.328 213 R C -1.559 174.416 176.300 -0.541 0.000 1.067 213 R CA 0.061 55.926 56.100 -0.393 0.000 0.924 213 R CB 0.301 30.489 30.300 -0.187 0.000 1.013 213 R HN 0.647 nan 8.270 nan 0.000 0.454 214 W N 2.879 124.084 121.300 -0.159 0.000 2.469 214 W HA 0.520 5.181 4.660 0.000 0.000 0.320 214 W C 0.451 176.840 176.519 -0.217 0.000 1.086 214 W CA -0.801 56.415 57.345 -0.216 0.000 1.211 214 W CB 1.920 31.232 29.460 -0.246 0.000 1.298 214 W HN 0.647 nan 8.180 nan 0.000 0.525 215 G N 0.881 109.652 108.800 -0.048 0.000 2.513 215 G HA2 0.752 4.713 3.960 0.001 0.000 0.317 215 G HA3 0.752 4.713 3.960 0.001 0.000 0.317 215 G C -0.644 173.968 174.900 -0.480 0.000 1.277 215 G CA -0.395 44.602 45.100 -0.172 0.000 0.955 215 G HN 0.840 nan 8.290 nan 0.000 0.484 216 G N -0.667 107.843 108.800 -0.483 0.000 2.321 216 G HA2 0.668 4.629 3.960 0.001 0.000 0.296 216 G HA3 0.668 4.629 3.960 0.001 0.000 0.296 216 G C -0.762 174.013 174.900 -0.208 0.000 1.287 216 G CA 0.123 44.739 45.100 -0.806 0.000 0.846 216 G HN 1.469 nan 8.290 nan 0.000 0.508 217 A N -0.125 122.655 122.820 -0.066 0.000 2.388 217 A HA 0.696 5.016 4.320 0.001 0.000 0.257 217 A C 0.704 178.222 177.584 -0.111 0.000 1.095 217 A CA -0.186 51.855 52.037 0.005 0.000 0.791 217 A CB 0.227 19.195 19.000 -0.053 0.000 1.029 217 A HN 0.643 nan 8.150 nan 0.000 0.489 218 R N 1.164 121.608 120.500 -0.093 0.000 2.489 218 R HA 0.084 4.424 4.340 0.001 0.000 0.287 218 R C 1.074 177.255 176.300 -0.199 0.000 1.053 218 R CA -0.500 55.520 56.100 -0.133 0.000 1.036 218 R CB 0.361 30.589 30.300 -0.120 0.000 0.966 218 R HN 0.736 nan 8.270 nan 0.000 0.432 219 L N 4.776 125.888 121.223 -0.186 0.000 2.042 219 L HA -0.207 4.133 4.340 0.001 0.000 0.210 219 L C 2.406 179.180 176.870 -0.160 0.000 1.076 219 L CA 1.873 56.607 54.840 -0.176 0.000 0.749 219 L CB -0.579 41.400 42.059 -0.134 0.000 0.893 219 L HN 0.638 nan 8.230 nan 0.000 0.432 220 R N -0.567 119.846 120.500 -0.145 0.000 2.096 220 R HA -0.217 4.124 4.340 0.001 0.000 0.240 220 R C 1.803 178.063 176.300 -0.067 0.000 1.139 220 R CA 2.182 58.211 56.100 -0.120 0.000 0.952 220 R CB -0.554 29.684 30.300 -0.104 0.000 0.854 220 R HN 0.428 nan 8.270 nan 0.000 0.436 221 D N 0.006 120.365 120.400 -0.068 0.000 2.117 221 D HA -0.101 4.540 4.640 0.001 0.000 0.198 221 D C 2.034 178.346 176.300 0.020 0.000 0.982 221 D CA 1.203 55.223 54.000 0.033 0.000 0.828 221 D CB -0.149 40.715 40.800 0.107 0.000 0.967 221 D HN 0.138 nan 8.370 nan 0.000 0.464 222 V N 1.128 120.855 119.914 -0.311 0.000 2.343 222 V HA -0.200 3.920 4.120 0.001 0.000 0.247 222 V C 2.595 178.723 176.094 0.057 0.000 1.051 222 V CA 1.131 63.232 62.300 -0.332 0.000 1.036 222 V CB -0.408 31.151 31.823 -0.440 0.000 0.654 222 V HN 0.193 nan 8.190 nan 0.000 0.451 223 L N -0.910 120.336 121.223 0.039 0.000 2.072 223 L HA -0.120 4.221 4.340 0.001 0.000 0.205 223 L C 2.373 179.402 176.870 0.264 0.000 1.079 223 L CA 1.266 56.205 54.840 0.165 0.000 0.752 223 L CB -0.497 41.555 42.059 -0.012 0.000 0.906 223 L HN 0.287 nan 8.230 nan 0.000 0.436 224 L N -1.002 120.329 121.223 0.181 0.000 2.083 224 L HA -0.261 4.080 4.340 0.001 0.000 0.209 224 L C 2.716 179.712 176.870 0.210 0.000 1.083 224 L CA 1.216 56.165 54.840 0.181 0.000 0.752 224 L CB -0.836 41.306 42.059 0.139 0.000 0.899 224 L HN 0.371 nan 8.230 nan 0.000 0.433 225 H N 0.331 119.520 119.070 0.197 0.000 2.387 225 H HA -0.138 4.418 4.556 0.001 0.000 0.299 225 H C 2.087 177.507 175.328 0.153 0.000 1.090 225 H CA 1.279 57.456 56.048 0.215 0.000 1.332 225 H CB 0.412 30.420 29.762 0.410 0.000 1.386 225 H HN 0.354 nan 8.280 nan 0.000 0.516 226 A N -0.198 122.675 122.820 0.088 0.000 2.121 226 A HA 0.081 4.401 4.320 0.001 0.000 0.218 226 A C 2.024 179.528 177.584 -0.132 0.000 1.154 226 A CA 1.431 53.471 52.037 0.005 0.000 0.679 226 A CB -0.417 18.713 19.000 0.216 0.000 0.795 226 A HN 0.700 nan 8.150 nan 0.000 0.458 227 G N -2.963 105.784 108.800 -0.089 0.000 2.205 227 G HA2 -0.156 3.804 3.960 0.001 0.000 0.180 227 G HA3 -0.156 3.804 3.960 0.001 0.000 0.180 227 G C 0.015 174.804 174.900 -0.186 0.000 1.004 227 G CA -0.187 44.809 45.100 -0.172 0.000 0.670 227 G HN 0.252 nan 8.290 nan 0.000 0.496 228 F N 3.077 123.028 119.950 0.001 0.000 2.506 228 F HA 0.451 4.979 4.527 0.001 0.000 0.351 228 F C -0.456 175.357 175.800 0.022 0.000 1.136 228 F CA -1.119 56.889 58.000 0.013 0.000 1.298 228 F CB 0.498 39.553 39.000 0.093 0.000 1.145 228 F HN -0.031 nan 8.300 nan 0.000 0.593 229 P HA 0.110 nan 4.420 nan 0.000 0.279 229 P C 0.060 177.460 177.300 0.167 0.000 1.276 229 P CA -0.299 62.871 63.100 0.115 0.000 0.801 229 P CB 0.814 32.533 31.700 0.033 0.000 1.127 230 E N -0.368 119.893 120.200 0.101 0.000 2.153 230 E HA -0.134 4.217 4.350 0.001 0.000 0.194 230 E C 0.276 176.962 176.600 0.143 0.000 0.988 230 E CA 1.378 57.832 56.400 0.089 0.000 0.811 230 E CB 0.279 30.009 29.700 0.050 0.000 0.746 230 E HN 0.554 nan 8.360 nan 0.000 0.466 231 E N 0.115 120.387 120.200 0.120 0.000 2.263 231 E HA 0.363 4.713 4.350 0.001 0.000 0.268 231 E C -1.397 175.176 176.600 -0.045 0.000 0.884 231 E CA -0.254 56.199 56.400 0.087 0.000 0.766 231 E CB 1.393 31.119 29.700 0.044 0.000 1.196 231 E HN -0.084 nan 8.360 nan 0.000 0.416 232 L N 3.378 124.474 121.223 -0.212 0.000 2.325 232 L HA 0.389 4.729 4.340 0.001 0.000 0.278 232 L C -0.062 176.705 176.870 -0.173 0.000 1.023 232 L CA -1.076 53.493 54.840 -0.450 0.000 0.811 232 L CB 1.585 42.877 42.059 -1.278 0.000 1.249 232 L HN 0.429 nan 8.230 nan 0.000 0.431 233 Q N 2.003 121.777 119.800 -0.044 0.000 2.327 233 Q HA 0.503 4.844 4.340 0.001 0.000 0.254 233 Q C 0.530 176.681 176.000 0.251 0.000 0.952 233 Q CA 0.340 56.197 55.803 0.089 0.000 0.884 233 Q CB 1.413 30.194 28.738 0.071 0.000 1.224 233 Q HN 0.857 nan 8.270 nan 0.000 0.422 234 G N 2.336 111.242 108.800 0.176 0.000 2.615 234 G HA2 -0.174 3.787 3.960 0.001 0.000 0.218 234 G HA3 -0.174 3.787 3.960 0.001 0.000 0.218 234 G C -1.135 173.857 174.900 0.153 0.000 1.339 234 G CA -0.732 44.452 45.100 0.138 0.000 0.884 234 G HN 0.518 nan 8.290 nan 0.000 0.559 235 E N -0.105 120.081 120.200 -0.024 0.000 2.092 235 E HA 0.554 4.904 4.350 0.001 0.000 0.271 235 E C -0.958 175.410 176.600 -0.386 0.000 0.919 235 E CA -0.186 56.148 56.400 -0.111 0.000 0.760 235 E CB 1.050 30.712 29.700 -0.062 0.000 1.106 235 E HN 0.431 nan 8.360 nan 0.000 0.408 236 W N 0.952 121.973 121.300 -0.464 0.000 2.882 236 W HA 0.410 5.070 4.660 0.001 0.000 0.345 236 W C -0.070 176.009 176.519 -0.734 0.000 1.125 236 W CA -0.375 56.688 57.345 -0.469 0.000 1.167 236 W CB 1.210 30.433 29.460 -0.395 0.000 1.431 236 W HN 0.449 nan 8.180 nan 0.000 0.543 237 H N -0.774 118.427 119.070 0.218 0.000 2.928 237 H HA 0.670 5.226 4.556 0.001 0.000 0.371 237 H C -1.202 174.151 175.328 0.041 0.000 1.186 237 H CA -1.094 55.009 56.048 0.092 0.000 1.134 237 H CB 1.503 31.258 29.762 -0.012 0.000 1.824 237 H HN 0.059 nan 8.280 nan 0.000 0.554 238 V N 1.705 121.605 119.914 -0.023 0.000 2.334 238 V HA 0.230 4.351 4.120 0.001 0.000 0.281 238 V C -0.182 175.534 176.094 -0.631 0.000 1.016 238 V CA -0.615 61.525 62.300 -0.266 0.000 0.832 238 V CB 0.700 32.343 31.823 -0.300 0.000 0.999 238 V HN 0.856 nan 8.190 nan 0.000 0.439 239 C N 5.716 124.743 119.300 -0.454 0.000 2.463 239 C HA 0.701 5.161 4.460 0.001 0.000 0.380 239 C C -0.173 174.534 174.990 -0.472 0.000 1.264 239 C CA -0.646 58.108 59.018 -0.439 0.000 2.161 239 C CB -0.246 27.401 27.740 -0.155 0.000 2.515 239 C HN 0.652 nan 8.230 nan 0.000 0.565 240 F N 1.126 121.082 119.950 0.012 0.000 2.520 240 F HA 0.522 5.049 4.527 0.001 0.000 0.322 240 F C 0.308 176.126 175.800 0.030 0.000 1.103 240 F CA -0.820 57.190 58.000 0.015 0.000 0.926 240 F CB 0.986 39.987 39.000 0.002 0.000 1.154 240 F HN 0.550 nan 8.300 nan 0.000 0.453 241 E N 0.690 121.036 120.200 0.244 0.000 2.222 241 E HA 0.602 4.953 4.350 0.001 0.000 0.267 241 E C -0.157 176.571 176.600 0.214 0.000 0.884 241 E CA -0.918 55.595 56.400 0.188 0.000 0.764 241 E CB 2.412 32.197 29.700 0.142 0.000 1.169 241 E HN 0.806 nan 8.360 nan 0.000 0.413 242 G N 1.321 110.270 108.800 0.248 0.000 2.477 242 G HA2 0.249 4.210 3.960 0.001 0.000 0.304 242 G HA3 0.249 4.210 3.960 0.001 0.000 0.304 242 G C 0.630 175.674 174.900 0.239 0.000 1.175 242 G CA -0.492 44.784 45.100 0.293 0.000 0.907 242 G HN 0.513 nan 8.290 nan 0.000 0.509 243 L N -0.020 121.357 121.223 0.256 0.000 2.291 243 L HA 0.039 4.379 4.340 0.001 0.000 0.214 243 L C 0.874 177.773 176.870 0.049 0.000 1.120 243 L CA 0.294 55.222 54.840 0.148 0.000 0.799 243 L CB -0.334 41.817 42.059 0.152 0.000 0.925 243 L HN 0.578 nan 8.230 nan 0.000 0.446 244 D N 0.848 121.265 120.400 0.029 0.000 2.389 244 D HA 0.343 4.983 4.640 0.001 0.000 0.247 244 D C -0.214 176.110 176.300 0.040 0.000 1.128 244 D CA 0.049 54.007 54.000 -0.069 0.000 0.884 244 D CB 1.579 42.279 40.800 -0.167 0.000 1.194 244 D HN 0.034 nan 8.370 nan 0.000 0.441 245 A N 2.209 125.039 122.820 0.017 0.000 2.539 245 A HA 0.514 4.835 4.320 0.001 0.000 0.296 245 A C -0.716 176.908 177.584 0.067 0.000 1.073 245 A CA -0.940 51.145 52.037 0.081 0.000 0.700 245 A CB 1.337 20.376 19.000 0.064 0.000 1.296 245 A HN 0.681 nan 8.150 nan 0.000 0.405 246 D N 1.379 121.856 120.400 0.129 0.000 2.371 246 D HA 0.338 4.978 4.640 0.001 0.000 0.242 246 D C -1.589 174.736 176.300 0.040 0.000 1.218 246 D CA -1.253 52.806 54.000 0.099 0.000 0.945 246 D CB 0.001 40.889 40.800 0.146 0.000 1.137 246 D HN 0.148 nan 8.370 nan 0.000 0.464 247 P HA -0.065 nan 4.420 nan 0.000 0.217 247 P C 1.336 178.640 177.300 0.006 0.000 1.148 247 P CA 1.665 64.766 63.100 0.001 0.000 0.828 247 P CB -0.183 31.518 31.700 0.002 0.000 0.783 248 G N -1.529 107.280 108.800 0.014 0.000 2.920 248 G HA2 0.259 4.219 3.960 0.001 0.000 0.208 248 G HA3 0.259 4.219 3.960 0.001 0.000 0.208 248 G C 1.124 176.034 174.900 0.018 0.000 1.159 248 G CA 0.477 45.582 45.100 0.009 0.000 0.784 248 G HN 0.479 nan 8.290 nan 0.000 0.535 249 G N -1.403 107.417 108.800 0.033 0.000 2.176 249 G HA2 0.090 4.051 3.960 0.001 0.000 0.232 249 G HA3 0.090 4.051 3.960 0.001 0.000 0.232 249 G C 0.516 175.457 174.900 0.068 0.000 0.986 249 G CA 0.126 45.251 45.100 0.041 0.000 0.643 249 G HN 1.345 nan 8.290 nan 0.000 0.522 250 A N 1.779 124.653 122.820 0.089 0.000 2.404 250 A HA 0.681 5.001 4.320 0.001 0.000 0.273 250 A C -1.314 176.416 177.584 0.242 0.000 1.144 250 A CA -0.721 51.395 52.037 0.132 0.000 0.806 250 A CB 0.477 19.528 19.000 0.086 0.000 1.080 250 A HN 0.242 nan 8.150 nan 0.000 0.509 251 P HA 0.126 nan 4.420 nan 0.000 0.276 251 P C -0.634 176.881 177.300 0.359 0.000 1.244 251 P CA -0.291 62.958 63.100 0.248 0.000 0.801 251 P CB 0.427 32.233 31.700 0.176 0.000 1.006 252 Y N 1.273 121.585 120.300 0.019 0.000 2.717 252 Y HA 0.357 4.908 4.550 0.001 0.000 0.330 252 Y C 0.661 176.587 175.900 0.043 0.000 1.217 252 Y CA 1.423 59.317 58.100 -0.343 0.000 1.506 252 Y CB -0.127 38.045 38.460 -0.480 0.000 1.268 252 Y HN 0.582 nan 8.280 nan 0.000 0.561 253 G N 2.624 111.104 108.800 -0.533 0.000 2.690 253 G HA2 0.820 4.781 3.960 0.001 0.000 0.291 253 G HA3 0.820 4.781 3.960 0.001 0.000 0.291 253 G C -2.063 172.625 174.900 -0.353 0.000 1.403 253 G CA -0.398 44.564 45.100 -0.229 0.000 0.864 253 G HN 1.061 nan 8.290 nan 0.000 0.480 254 A N -0.273 122.501 122.820 -0.077 0.000 2.586 254 A HA 0.932 5.252 4.320 0.001 0.000 0.291 254 A C -0.333 177.258 177.584 0.012 0.000 1.062 254 A CA 0.157 52.198 52.037 0.006 0.000 0.666 254 A CB 1.255 20.312 19.000 0.095 0.000 1.281 254 A HN 2.234 nan 8.150 nan 0.000 0.421 255 S N -0.361 115.324 115.700 -0.024 0.000 2.632 255 S HA 0.904 5.375 4.470 0.001 0.000 0.289 255 S C -0.466 174.120 174.600 -0.024 0.000 1.115 255 S CA -0.156 57.953 58.200 -0.153 0.000 0.889 255 S CB 1.405 64.521 63.200 -0.141 0.000 1.116 255 S HN 1.990 nan 8.310 nan 0.000 0.486 256 I N -2.871 117.663 120.570 -0.061 0.000 2.969 256 I HA 0.710 4.880 4.170 0.001 0.000 0.307 256 I C -3.270 172.893 176.117 0.077 0.000 1.149 256 I CA -3.204 58.130 61.300 0.057 0.000 1.008 256 I CB 1.990 40.054 38.000 0.107 0.000 1.232 256 I HN 0.312 nan 8.210 nan 0.000 0.435 257 P HA 0.041 nan 4.420 nan 0.000 0.269 257 P C -0.140 177.188 177.300 0.047 0.000 1.209 257 P CA 0.187 63.336 63.100 0.081 0.000 0.776 257 P CB 0.323 32.067 31.700 0.072 0.000 0.876 258 Y N 3.160 123.408 120.300 -0.087 0.000 2.114 258 Y HA -0.244 4.307 4.550 0.001 0.000 0.282 258 Y C 2.380 178.244 175.900 -0.060 0.000 1.165 258 Y CA 2.635 60.687 58.100 -0.081 0.000 1.148 258 Y CB -0.931 37.492 38.460 -0.061 0.000 0.972 258 Y HN 0.495 nan 8.280 nan 0.000 0.504 259 G N -0.057 108.791 108.800 0.081 0.000 2.469 259 G HA2 -0.362 3.599 3.960 0.001 0.000 0.219 259 G HA3 -0.362 3.599 3.960 0.001 0.000 0.219 259 G C 1.778 176.650 174.900 -0.048 0.000 1.150 259 G CA 1.056 46.169 45.100 0.020 0.000 0.763 259 G HN 0.435 nan 8.290 nan 0.000 0.561 260 R N 0.536 121.016 120.500 -0.033 0.000 2.075 260 R HA 0.082 4.422 4.340 0.001 0.000 0.232 260 R C 2.867 179.111 176.300 -0.095 0.000 1.126 260 R CA 1.406 57.485 56.100 -0.036 0.000 0.963 260 R CB -0.416 29.882 30.300 -0.005 0.000 0.858 260 R HN 0.268 nan 8.270 nan 0.000 0.435 261 A N 0.701 123.431 122.820 -0.149 0.000 1.940 261 A HA -0.143 4.177 4.320 0.001 0.000 0.219 261 A C 1.971 179.403 177.584 -0.253 0.000 1.176 261 A CA 1.262 53.180 52.037 -0.199 0.000 0.631 261 A CB -0.310 18.523 19.000 -0.277 0.000 0.814 261 A HN 0.357 nan 8.150 nan 0.000 0.446 262 L N -0.627 120.402 121.223 -0.322 0.000 2.567 262 L HA 0.133 4.473 4.340 0.001 0.000 0.225 262 L C 1.310 178.103 176.870 -0.128 0.000 1.119 262 L CA 0.353 55.036 54.840 -0.261 0.000 0.871 262 L CB 0.191 42.038 42.059 -0.353 0.000 1.036 262 L HN 0.284 nan 8.230 nan 0.000 0.459 263 S N 0.068 115.713 115.700 -0.092 0.000 2.510 263 S HA 0.130 4.601 4.470 0.001 0.000 0.279 263 S C -1.394 173.192 174.600 -0.025 0.000 1.284 263 S CA -1.186 56.995 58.200 -0.033 0.000 1.059 263 S CB 0.797 63.999 63.200 0.003 0.000 0.901 263 S HN -0.038 nan 8.310 nan 0.000 0.491 264 P HA -0.014 nan 4.420 nan 0.000 0.216 264 P C 1.291 178.609 177.300 0.030 0.000 1.153 264 P CA 1.327 64.415 63.100 -0.019 0.000 0.848 264 P CB -0.035 31.657 31.700 -0.013 0.000 0.787 265 A N -0.138 122.727 122.820 0.076 0.000 2.070 265 A HA -0.018 4.303 4.320 0.001 0.000 0.220 265 A C 2.191 179.957 177.584 0.303 0.000 1.159 265 A CA 1.711 53.845 52.037 0.162 0.000 0.656 265 A CB -1.373 17.703 19.000 0.126 0.000 0.800 265 A HN 0.209 nan 8.150 nan 0.000 0.453 266 A N -1.246 121.684 122.820 0.183 0.000 2.169 266 A HA 0.172 4.492 4.320 0.001 0.000 0.212 266 A C 0.667 178.169 177.584 -0.136 0.000 1.153 266 A CA 0.897 53.014 52.037 0.133 0.000 0.756 266 A CB -0.169 18.844 19.000 0.022 0.000 0.813 266 A HN 0.421 nan 8.150 nan 0.000 0.471 267 D N -1.012 119.362 120.400 -0.043 0.000 2.837 267 D HA -0.126 4.514 4.640 0.001 0.000 0.230 267 D C -0.280 175.875 176.300 -0.242 0.000 1.152 267 D CA 0.960 54.901 54.000 -0.099 0.000 0.736 267 D CB -1.936 38.843 40.800 -0.035 0.000 1.084 267 D HN 0.237 nan 8.370 nan 0.000 0.429 268 V N 1.124 120.898 119.914 -0.233 0.000 2.479 268 V HA 0.134 4.255 4.120 0.001 0.000 0.281 268 V C 1.072 177.029 176.094 -0.229 0.000 1.031 268 V CA 0.114 62.260 62.300 -0.257 0.000 1.038 268 V CB 0.999 32.705 31.823 -0.195 0.000 0.981 268 V HN 0.090 nan 8.190 nan 0.000 0.478 269 L N 5.667 126.721 121.223 -0.282 0.000 2.334 269 L HA 0.559 4.899 4.340 0.001 0.000 0.273 269 L C -0.325 176.354 176.870 -0.319 0.000 1.013 269 L CA -0.765 53.920 54.840 -0.258 0.000 0.816 269 L CB 1.979 43.892 42.059 -0.243 0.000 1.278 269 L HN 0.441 nan 8.230 nan 0.000 0.431 270 L N 2.990 124.052 121.223 -0.268 0.000 2.315 270 L HA 0.432 4.772 4.340 0.001 0.000 0.278 270 L C 0.313 177.023 176.870 -0.267 0.000 1.088 270 L CA -0.292 54.394 54.840 -0.256 0.000 0.899 270 L CB 0.789 42.745 42.059 -0.171 0.000 1.277 270 L HN 0.619 nan 8.230 nan 0.000 0.431 271 A N 2.773 125.395 122.820 -0.329 0.000 2.331 271 A HA 0.475 4.795 4.320 0.001 0.000 0.283 271 A C -0.087 177.338 177.584 -0.265 0.000 1.142 271 A CA -0.335 51.478 52.037 -0.374 0.000 0.812 271 A CB 0.236 19.075 19.000 -0.269 0.000 1.074 271 A HN 0.710 nan 8.150 nan 0.000 0.497 272 Y N -0.145 120.124 120.300 -0.052 0.000 2.588 272 Y HA 0.548 5.099 4.550 0.001 0.000 0.247 272 Y C 0.184 176.087 175.900 0.004 0.000 1.157 272 Y CA -0.403 57.663 58.100 -0.057 0.000 1.215 272 Y CB 0.031 38.453 38.460 -0.065 0.000 1.245 272 Y HN 0.625 nan 8.280 nan 0.000 0.534 273 E N 1.622 121.807 120.200 -0.026 0.000 2.308 273 E HA 0.534 4.885 4.350 0.001 0.000 0.275 273 E C -1.748 174.831 176.600 -0.035 0.000 0.890 273 E CA -0.981 55.432 56.400 0.022 0.000 0.754 273 E CB 2.065 31.782 29.700 0.028 0.000 1.207 273 E HN 0.295 nan 8.360 nan 0.000 0.426 274 M N 4.763 124.294 119.600 -0.115 0.000 2.183 274 M HA 0.329 4.810 4.480 0.001 0.000 0.277 274 M C -1.151 174.944 176.300 -0.342 0.000 0.995 274 M CA -0.315 54.775 55.300 -0.349 0.000 0.969 274 M CB 1.132 33.498 32.600 -0.390 0.000 1.659 274 M HN 0.602 nan 8.290 nan 0.000 0.462 275 N N 3.514 121.971 118.700 -0.404 0.000 2.708 275 N HA -0.202 4.538 4.740 0.001 0.000 0.251 275 N C 0.686 176.104 175.510 -0.153 0.000 1.017 275 N CA 1.829 54.720 53.050 -0.264 0.000 0.742 275 N CB -1.314 37.019 38.487 -0.257 0.000 0.943 275 N HN 1.218 nan 8.380 nan 0.000 0.539 276 G N -2.521 106.206 108.800 -0.122 0.000 2.176 276 G HA2 -0.331 3.630 3.960 0.001 0.000 0.253 276 G HA3 -0.331 3.630 3.960 0.001 0.000 0.253 276 G C 0.294 175.174 174.900 -0.034 0.000 0.979 276 G CA 1.296 46.360 45.100 -0.060 0.000 0.641 276 G HN 1.102 nan 8.290 nan 0.000 0.530 277 T N -1.804 112.722 114.554 -0.047 0.000 2.927 277 T HA 0.689 5.040 4.350 0.001 0.000 0.286 277 T C 0.205 174.914 174.700 0.016 0.000 1.040 277 T CA 0.066 62.157 62.100 -0.016 0.000 1.010 277 T CB 2.107 70.956 68.868 -0.032 0.000 1.177 277 T HN 0.838 nan 8.240 nan 0.000 0.546 278 E N 0.819 121.050 120.200 0.053 0.000 2.390 278 E HA 0.250 4.600 4.350 0.001 0.000 0.261 278 E C -0.412 176.258 176.600 0.117 0.000 1.076 278 E CA -0.844 55.632 56.400 0.126 0.000 0.905 278 E CB 0.445 30.253 29.700 0.181 0.000 0.984 278 E HN 0.569 nan 8.360 nan 0.000 0.427 279 L N 3.235 124.568 121.223 0.182 0.000 2.584 279 L HA 0.069 4.409 4.340 0.001 0.000 0.272 279 L C -1.919 175.071 176.870 0.199 0.000 1.195 279 L CA -1.354 53.580 54.840 0.157 0.000 0.920 279 L CB 0.096 42.237 42.059 0.137 0.000 1.173 279 L HN 0.491 nan 8.230 nan 0.000 0.489 280 P HA 0.076 nan 4.420 nan 0.000 0.269 280 P C 0.283 177.678 177.300 0.157 0.000 1.215 280 P CA -0.190 62.970 63.100 0.099 0.000 0.780 280 P CB 0.567 32.353 31.700 0.144 0.000 0.898 281 R N 1.148 121.723 120.500 0.126 0.000 2.094 281 R HA -0.189 4.152 4.340 0.001 0.000 0.239 281 R C 1.403 177.915 176.300 0.353 0.000 1.137 281 R CA 1.761 58.027 56.100 0.277 0.000 0.943 281 R CB -0.676 29.707 30.300 0.139 0.000 0.850 281 R HN 0.543 nan 8.270 nan 0.000 0.433 282 D N -0.456 120.004 120.400 0.100 0.000 2.221 282 D HA -0.122 4.519 4.640 0.001 0.000 0.204 282 D C 1.229 177.314 176.300 -0.358 0.000 0.982 282 D CA 1.148 55.120 54.000 -0.046 0.000 0.857 282 D CB -0.039 40.579 40.800 -0.304 0.000 0.934 282 D HN 0.404 nan 8.370 nan 0.000 0.475 283 H N -1.602 117.423 119.070 -0.074 0.000 2.520 283 H HA 0.377 4.933 4.556 0.001 0.000 0.284 283 H C 1.254 176.286 175.328 -0.493 0.000 1.037 283 H CA 0.717 56.589 56.048 -0.294 0.000 1.168 283 H CB 1.059 30.670 29.762 -0.252 0.000 1.497 283 H HN 0.156 nan 8.280 nan 0.000 0.547 284 G N 1.147 109.597 108.800 -0.583 0.000 2.151 284 G HA2 -0.235 3.726 3.960 0.001 0.000 0.140 284 G HA3 -0.235 3.726 3.960 0.001 0.000 0.140 284 G C -0.079 174.603 174.900 -0.364 0.000 1.020 284 G CA -0.478 43.969 45.100 -1.088 0.000 0.688 284 G HN 0.298 nan 8.290 nan 0.000 0.500 285 F N 2.607 122.514 119.950 -0.072 0.000 2.623 285 F HA 0.383 4.910 4.527 0.001 0.000 0.386 285 F C -0.504 175.322 175.800 0.044 0.000 1.068 285 F CA -0.314 57.690 58.000 0.006 0.000 1.265 285 F CB 1.034 40.067 39.000 0.055 0.000 1.026 285 F HN 0.009 nan 8.300 nan 0.000 0.568 286 P HA 0.094 nan 4.420 nan 0.000 0.257 286 P C -0.853 176.129 177.300 -0.530 0.000 1.241 286 P CA 0.512 62.862 63.100 -1.250 0.000 0.816 286 P CB 0.694 31.476 31.700 -1.529 0.000 1.150 287 V N 1.021 120.682 119.914 -0.422 0.000 2.777 287 V HA 0.449 4.570 4.120 0.001 0.000 0.306 287 V C -0.214 175.730 176.094 -0.249 0.000 1.112 287 V CA -0.834 61.322 62.300 -0.239 0.000 0.917 287 V CB 2.803 34.551 31.823 -0.125 0.000 1.018 287 V HN 0.114 nan 8.190 nan 0.000 0.426 288 R N 2.573 122.896 120.500 -0.295 0.000 2.837 288 R HA 0.894 5.235 4.340 0.001 0.000 0.271 288 R C -1.588 174.445 176.300 -0.445 0.000 0.993 288 R CA -0.788 55.077 56.100 -0.392 0.000 0.931 288 R CB 2.039 32.040 30.300 -0.498 0.000 1.206 288 R HN 0.334 nan 8.270 nan 0.000 0.474 289 V N 1.732 121.325 119.914 -0.534 0.000 2.649 289 V HA 0.292 4.413 4.120 0.001 0.000 0.292 289 V C -0.167 175.543 176.094 -0.640 0.000 1.055 289 V CA -0.553 61.362 62.300 -0.642 0.000 1.023 289 V CB 1.415 32.652 31.823 -0.976 0.000 0.992 289 V HN 0.518 nan 8.190 nan 0.000 0.480 290 V N 4.601 124.135 119.914 -0.634 0.000 2.444 290 V HA 0.373 4.493 4.120 0.001 0.000 0.294 290 V C -0.307 175.472 176.094 -0.526 0.000 1.022 290 V CA -0.512 61.356 62.300 -0.720 0.000 0.850 290 V CB 1.953 33.160 31.823 -1.027 0.000 0.992 290 V HN 0.610 nan 8.190 nan 0.000 0.426 291 V N 7.267 126.923 119.914 -0.430 0.000 2.275 291 V HA 0.324 4.444 4.120 0.001 0.000 0.272 291 V C -2.342 173.548 176.094 -0.339 0.000 1.028 291 V CA -1.888 60.217 62.300 -0.325 0.000 0.810 291 V CB 1.187 32.904 31.823 -0.176 0.000 1.043 291 V HN 0.706 nan 8.190 nan 0.000 0.453 292 P HA 0.248 nan 4.420 nan 0.000 0.268 292 P C 1.075 178.215 177.300 -0.265 0.000 1.205 292 P CA 1.156 63.912 63.100 -0.573 0.000 0.771 292 P CB 0.797 31.552 31.700 -1.575 0.000 0.858 293 G N 0.557 109.519 108.800 0.269 0.000 2.159 293 G HA2 -0.178 3.783 3.960 0.001 0.000 0.256 293 G HA3 -0.178 3.783 3.960 0.001 0.000 0.256 293 G C -0.011 175.110 174.900 0.370 0.000 0.977 293 G CA -0.073 45.341 45.100 0.523 0.000 0.652 293 G HN 0.542 nan 8.290 nan 0.000 0.531 294 V N 0.064 120.115 119.914 0.230 0.000 2.960 294 V HA 0.710 4.831 4.120 0.001 0.000 0.315 294 V C 0.993 177.148 176.094 0.101 0.000 1.087 294 V CA -0.390 61.996 62.300 0.143 0.000 0.982 294 V CB 1.985 33.837 31.823 0.049 0.000 1.039 294 V HN 0.593 nan 8.190 nan 0.000 0.437 295 V N 3.426 123.383 119.914 0.070 0.000 2.814 295 V HA 0.155 4.275 4.120 0.001 0.000 0.307 295 V C 1.640 177.685 176.094 -0.082 0.000 1.089 295 V CA 1.417 63.709 62.300 -0.014 0.000 1.212 295 V CB 1.305 33.108 31.823 -0.033 0.000 0.912 295 V HN 1.100 nan 8.190 nan 0.000 0.497 296 G N 4.535 113.261 108.800 -0.123 0.000 2.450 296 G HA2 -0.244 3.717 3.960 0.001 0.000 0.220 296 G HA3 -0.244 3.717 3.960 0.001 0.000 0.220 296 G C 1.616 176.442 174.900 -0.123 0.000 1.130 296 G CA 1.058 46.092 45.100 -0.111 0.000 0.760 296 G HN 1.387 nan 8.290 nan 0.000 0.557 297 A N 0.668 123.374 122.820 -0.189 0.000 2.009 297 A HA -0.172 4.148 4.320 0.001 0.000 0.222 297 A C 2.369 180.007 177.584 0.090 0.000 1.175 297 A CA 1.848 53.805 52.037 -0.133 0.000 0.651 297 A CB -0.242 18.454 19.000 -0.506 0.000 0.815 297 A HN 0.296 nan 8.150 nan 0.000 0.459 298 R N -0.159 120.358 120.500 0.028 0.000 2.300 298 R HA 0.155 4.495 4.340 0.001 0.000 0.199 298 R C 0.243 176.554 176.300 0.018 0.000 0.920 298 R CA 0.296 56.454 56.100 0.096 0.000 1.046 298 R CB -0.694 29.660 30.300 0.089 0.000 0.984 298 R HN 0.348 nan 8.270 nan 0.000 0.493 299 S N 1.753 117.388 115.700 -0.108 0.000 4.087 299 S HA 0.151 4.621 4.470 0.001 0.000 0.213 299 S C 0.117 174.557 174.600 -0.266 0.000 1.415 299 S CA -0.263 57.769 58.200 -0.280 0.000 0.893 299 S CB 0.194 63.167 63.200 -0.379 0.000 1.529 299 S HN -0.098 nan 8.310 nan 0.000 0.457 300 V N 4.443 124.240 119.914 -0.194 0.000 2.458 300 V HA 0.022 4.142 4.120 0.001 0.000 0.287 300 V C 0.807 176.763 176.094 -0.230 0.000 1.009 300 V CA 0.309 62.575 62.300 -0.056 0.000 1.091 300 V CB -0.071 31.817 31.823 0.109 0.000 0.960 300 V HN 0.571 nan 8.190 nan 0.000 0.476 301 K N 4.731 124.941 120.400 -0.316 0.000 2.107 301 K HA 0.221 4.542 4.320 0.001 0.000 0.251 301 K C -0.021 176.421 176.600 -0.264 0.000 1.012 301 K CA -0.473 55.432 56.287 -0.638 0.000 0.920 301 K CB 0.476 32.110 32.500 -1.445 0.000 1.033 301 K HN 0.715 nan 8.250 nan 0.000 0.478 302 W N 0.725 121.985 121.300 -0.066 0.000 5.361 302 W HA -0.211 4.450 4.660 0.001 0.000 0.385 302 W C -0.336 176.206 176.519 0.039 0.000 1.458 302 W CA -0.444 56.884 57.345 -0.029 0.000 0.922 302 W CB -2.117 27.343 29.460 -0.001 0.000 2.606 302 W HN 0.391 nan 8.180 nan 0.000 1.450 303 L N 2.003 123.306 121.223 0.133 0.000 2.559 303 L HA 0.011 4.351 4.340 0.001 0.000 0.274 303 L C 1.732 178.755 176.870 0.256 0.000 1.205 303 L CA 1.421 56.350 54.840 0.149 0.000 0.907 303 L CB 0.471 42.553 42.059 0.039 0.000 1.153 303 L HN 0.237 nan 8.230 nan 0.000 0.490 304 R N 3.431 124.052 120.500 0.202 0.000 2.419 304 R HA 0.374 4.714 4.340 0.001 0.000 0.235 304 R C 0.249 176.601 176.300 0.087 0.000 0.899 304 R CA -0.268 55.916 56.100 0.140 0.000 1.048 304 R CB 0.377 30.757 30.300 0.133 0.000 1.182 304 R HN 0.553 nan 8.270 nan 0.000 0.544 305 R N 0.537 121.112 120.500 0.125 0.000 2.579 305 R HA 0.353 4.693 4.340 0.001 0.000 0.260 305 R C -1.969 174.435 176.300 0.173 0.000 1.103 305 R CA -0.633 55.537 56.100 0.117 0.000 0.942 305 R CB 2.466 32.823 30.300 0.095 0.000 1.251 305 R HN 0.030 nan 8.270 nan 0.000 0.450 306 V N 2.803 122.812 119.914 0.159 0.000 2.409 306 V HA 0.791 4.911 4.120 0.001 0.000 0.291 306 V C -0.461 175.689 176.094 0.093 0.000 1.020 306 V CA -0.596 61.811 62.300 0.178 0.000 0.848 306 V CB 1.437 33.378 31.823 0.196 0.000 0.990 306 V HN 0.868 nan 8.190 nan 0.000 0.430 307 A N 4.453 127.288 122.820 0.026 0.000 2.386 307 A HA 0.882 5.203 4.320 0.001 0.000 0.311 307 A C -0.931 176.647 177.584 -0.010 0.000 1.068 307 A CA -0.597 51.465 52.037 0.042 0.000 0.743 307 A CB 1.914 20.949 19.000 0.057 0.000 1.258 307 A HN 0.600 nan 8.150 nan 0.000 0.429 308 V N 1.662 121.593 119.914 0.028 0.000 2.439 308 V HA 0.693 4.813 4.120 0.001 0.000 0.282 308 V C 0.438 176.679 176.094 0.246 0.000 1.039 308 V CA 0.018 62.339 62.300 0.035 0.000 0.913 308 V CB 1.268 32.917 31.823 -0.289 0.000 0.983 308 V HN 0.986 nan 8.190 nan 0.000 0.460 309 S N 5.016 120.895 115.700 0.298 0.000 2.541 309 S HA 0.572 5.043 4.470 0.001 0.000 0.271 309 S C -2.340 172.291 174.600 0.050 0.000 1.133 309 S CA -1.260 57.068 58.200 0.213 0.000 0.876 309 S CB 2.396 65.643 63.200 0.078 0.000 1.105 309 S HN 0.430 nan 8.310 nan 0.000 0.470 310 P HA 0.055 nan 4.420 nan 0.000 0.221 310 P C -0.313 176.877 177.300 -0.184 0.000 1.145 310 P CA 1.210 63.849 63.100 -0.768 0.000 0.795 310 P CB 0.056 31.328 31.700 -0.713 0.000 0.775 311 D N -1.504 118.858 120.400 -0.065 0.000 2.525 311 D HA 0.217 4.857 4.640 0.001 0.000 0.249 311 D C 0.364 176.479 176.300 -0.307 0.000 1.072 311 D CA -0.671 53.243 54.000 -0.144 0.000 1.067 311 D CB 0.858 41.559 40.800 -0.164 0.000 1.282 311 D HN -0.002 nan 8.370 nan 0.000 0.587 312 E N -0.168 119.681 120.200 -0.586 0.000 2.397 312 E HA 0.164 4.514 4.350 0.001 0.000 0.254 312 E C -0.019 176.465 176.600 -0.194 0.000 1.231 312 E CA -0.248 55.895 56.400 -0.429 0.000 0.954 312 E CB 0.527 30.004 29.700 -0.371 0.000 1.024 312 E HN 0.190 nan 8.360 nan 0.000 0.481 313 S N 1.688 117.306 115.700 -0.135 0.000 2.544 313 S HA 0.018 4.489 4.470 0.001 0.000 0.290 313 S C -1.605 172.948 174.600 -0.077 0.000 1.276 313 S CA -1.257 56.891 58.200 -0.087 0.000 1.075 313 S CB 0.449 63.610 63.200 -0.065 0.000 0.849 313 S HN 0.281 nan 8.310 nan 0.000 0.494 314 P HA 0.043 nan 4.420 nan 0.000 0.245 314 P C 0.232 177.492 177.300 -0.066 0.000 1.212 314 P CA 0.025 63.086 63.100 -0.065 0.000 0.774 314 P CB -0.450 31.220 31.700 -0.050 0.000 0.999 315 S N -0.947 114.727 115.700 -0.043 0.000 2.576 315 S HA 0.005 4.476 4.470 0.001 0.000 0.276 315 S C 1.325 175.842 174.600 -0.139 0.000 1.339 315 S CA -0.090 58.087 58.200 -0.038 0.000 1.039 315 S CB 0.378 63.648 63.200 0.115 0.000 0.902 315 S HN 0.133 nan 8.310 nan 0.000 0.516 316 H N 2.150 120.932 119.070 -0.482 0.000 2.394 316 H HA -0.146 4.410 4.556 0.001 0.000 0.297 316 H C 1.122 176.143 175.328 -0.511 0.000 1.113 316 H CA 2.660 58.316 56.048 -0.653 0.000 1.277 316 H CB -0.044 29.085 29.762 -1.056 0.000 1.370 316 H HN 0.799 nan 8.280 nan 0.000 0.506 317 W N -0.357 120.871 121.300 -0.120 0.000 2.905 317 W HA 0.048 4.708 4.660 0.000 0.000 0.251 317 W C 1.835 178.339 176.519 -0.025 0.000 1.305 317 W CA 0.547 57.833 57.345 -0.098 0.000 1.465 317 W CB -0.101 29.372 29.460 0.023 0.000 1.122 317 W HN 0.401 nan 8.180 nan 0.000 0.659 318 Q N 0.174 120.028 119.800 0.089 0.000 2.349 318 Q HA -0.038 4.302 4.340 0.001 0.000 0.209 318 Q C 2.189 178.176 176.000 -0.023 0.000 0.920 318 Q CA 1.132 56.970 55.803 0.059 0.000 0.901 318 Q CB 0.035 28.780 28.738 0.012 0.000 1.021 318 Q HN -0.030 nan 8.270 nan 0.000 0.519 319 Q N -0.650 119.074 119.800 -0.126 0.000 2.349 319 Q HA 0.195 4.536 4.340 0.001 0.000 0.209 319 Q C 0.173 176.015 176.000 -0.264 0.000 0.920 319 Q CA 0.582 56.297 55.803 -0.146 0.000 0.901 319 Q CB 0.672 29.326 28.738 -0.141 0.000 1.021 319 Q HN 0.224 nan 8.270 nan 0.000 0.519 320 N N 1.083 119.435 118.700 -0.579 0.000 2.553 320 N HA 0.181 4.921 4.740 0.001 0.000 0.298 320 N C -1.550 173.165 175.510 -1.326 0.000 1.596 320 N CA 0.067 52.401 53.050 -1.193 0.000 0.910 320 N CB 0.929 38.839 38.487 -0.962 0.000 1.336 320 N HN 0.053 nan 8.380 nan 0.000 0.497 321 D N -1.660 118.378 120.400 -0.602 0.000 2.807 321 D HA 0.178 4.818 4.640 0.001 0.000 0.279 321 D C -1.177 175.168 176.300 0.074 0.000 1.247 321 D CA -0.315 53.566 54.000 -0.198 0.000 0.749 321 D CB 0.300 40.880 40.800 -0.367 0.000 1.264 321 D HN -0.042 nan 8.370 nan 0.000 0.421 322 Y N -0.647 119.818 120.300 0.275 0.000 3.078 322 Y HA -0.191 4.359 4.550 0.000 0.000 0.202 322 Y C -0.239 175.747 175.900 0.142 0.000 1.322 322 Y CA 0.771 58.998 58.100 0.212 0.000 1.118 322 Y CB -1.485 37.101 38.460 0.210 0.000 1.343 322 Y HN 0.241 nan 8.280 nan 0.000 0.499 323 K N -0.370 120.175 120.400 0.241 0.000 2.501 323 K HA 0.722 5.042 4.320 0.001 0.000 0.252 323 K C 0.423 176.856 176.600 -0.278 0.000 0.934 323 K CA -0.485 55.782 56.287 -0.033 0.000 0.797 323 K CB 2.471 34.932 32.500 -0.064 0.000 1.270 323 K HN 0.227 nan 8.250 nan 0.000 0.431 324 G N 1.960 110.516 108.800 -0.407 0.000 2.367 324 G HA2 0.646 4.606 3.960 0.001 0.000 0.314 324 G HA3 0.646 4.606 3.960 0.001 0.000 0.314 324 G C -0.997 173.517 174.900 -0.643 0.000 1.130 324 G CA -0.246 44.641 45.100 -0.354 0.000 0.864 324 G HN 0.326 nan 8.290 nan 0.000 0.486 325 F N -0.223 119.652 119.950 -0.126 0.000 2.654 325 F HA 0.609 5.136 4.527 0.000 0.000 0.334 325 F C 0.832 176.581 175.800 -0.086 0.000 1.078 325 F CA -0.840 57.080 58.000 -0.134 0.000 0.986 325 F CB 1.852 40.724 39.000 -0.214 0.000 1.362 325 F HN 0.442 nan 8.300 nan 0.000 0.498 326 S N 1.819 117.618 115.700 0.166 0.000 2.579 326 S HA 0.163 4.633 4.470 0.001 0.000 0.275 326 S C -1.567 173.117 174.600 0.140 0.000 1.345 326 S CA -1.206 57.059 58.200 0.108 0.000 1.031 326 S CB 0.633 63.885 63.200 0.087 0.000 0.892 326 S HN 0.342 nan 8.310 nan 0.000 0.529 327 P HA -0.029 nan 4.420 nan 0.000 0.234 327 P C 1.131 178.571 177.300 0.234 0.000 1.162 327 P CA 0.751 64.008 63.100 0.261 0.000 0.759 327 P CB -0.725 31.081 31.700 0.176 0.000 0.813 328 C N -4.614 114.772 119.300 0.144 0.000 3.019 328 C HA 0.299 4.760 4.460 0.001 0.000 0.295 328 C C 0.998 176.031 174.990 0.071 0.000 1.256 328 C CA -0.464 58.605 59.018 0.085 0.000 1.706 328 C CB -0.868 26.899 27.740 0.044 0.000 2.153 328 C HN -0.112 nan 8.230 nan 0.000 0.618 329 V N 3.682 123.634 119.914 0.062 0.000 2.479 329 V HA 0.222 4.342 4.120 0.001 0.000 0.281 329 V C 0.105 176.152 176.094 -0.079 0.000 1.031 329 V CA 1.039 63.307 62.300 -0.054 0.000 1.038 329 V CB 0.236 31.961 31.823 -0.162 0.000 0.981 329 V HN 0.474 nan 8.190 nan 0.000 0.478 330 D N 2.965 123.315 120.400 -0.083 0.000 2.437 330 D HA 0.223 4.864 4.640 0.001 0.000 0.259 330 D C 0.550 176.790 176.300 -0.100 0.000 1.118 330 D CA -0.528 53.445 54.000 -0.046 0.000 1.017 330 D CB 1.075 41.892 40.800 0.030 0.000 1.120 330 D HN 0.476 nan 8.370 nan 0.000 0.541 331 W N -0.316 120.975 121.300 -0.014 0.000 2.418 331 W HA -0.100 4.561 4.660 0.001 0.000 0.292 331 W C 1.663 178.160 176.519 -0.037 0.000 1.213 331 W CA 0.815 58.141 57.345 -0.032 0.000 1.283 331 W CB 0.224 29.690 29.460 0.009 0.000 1.119 331 W HN 0.502 nan 8.180 nan 0.000 0.542 332 D N -1.682 118.853 120.400 0.225 0.000 2.363 332 D HA -0.107 4.534 4.640 0.001 0.000 0.220 332 D C 1.448 177.789 176.300 0.068 0.000 0.994 332 D CA 1.521 55.598 54.000 0.129 0.000 0.890 332 D CB -1.109 39.745 40.800 0.091 0.000 0.906 332 D HN 0.124 nan 8.370 nan 0.000 0.530 333 T N -2.991 111.578 114.554 0.025 0.000 3.084 333 T HA 0.208 4.559 4.350 0.001 0.000 0.270 333 T C 0.509 175.143 174.700 -0.109 0.000 1.008 333 T CA -0.526 61.557 62.100 -0.027 0.000 0.900 333 T CB -0.246 68.604 68.868 -0.029 0.000 1.084 333 T HN 0.026 nan 8.240 nan 0.000 0.538 334 V N 2.351 122.165 119.914 -0.166 0.000 2.585 334 V HA 0.327 4.447 4.120 0.001 0.000 0.296 334 V C -0.709 175.235 176.094 -0.251 0.000 1.035 334 V CA 0.185 62.230 62.300 -0.425 0.000 1.084 334 V CB 0.898 32.363 31.823 -0.597 0.000 0.953 334 V HN 0.473 nan 8.190 nan 0.000 0.483 335 D N 5.174 125.401 120.400 -0.287 0.000 2.402 335 D HA 0.232 4.873 4.640 0.001 0.000 0.252 335 D C 0.026 176.396 176.300 0.117 0.000 1.294 335 D CA -0.283 53.709 54.000 -0.014 0.000 0.948 335 D CB 0.986 41.803 40.800 0.030 0.000 1.202 335 D HN 0.592 nan 8.370 nan 0.000 0.561 336 Y N 1.555 121.969 120.300 0.189 0.000 2.571 336 Y HA 0.037 4.588 4.550 0.001 0.000 0.294 336 Y C 2.282 178.256 175.900 0.123 0.000 1.141 336 Y CA 0.607 58.855 58.100 0.246 0.000 1.308 336 Y CB 0.250 38.803 38.460 0.155 0.000 1.002 336 Y HN 0.208 nan 8.280 nan 0.000 0.551 337 R N -0.620 120.005 120.500 0.209 0.000 2.235 337 R HA -0.081 4.259 4.340 0.001 0.000 0.213 337 R C 1.987 178.337 176.300 0.082 0.000 1.059 337 R CA 1.599 57.767 56.100 0.114 0.000 0.997 337 R CB -0.437 29.911 30.300 0.080 0.000 0.884 337 R HN 0.412 nan 8.270 nan 0.000 0.462 338 T N -2.595 112.019 114.554 0.100 0.000 3.044 338 T HA 0.252 4.603 4.350 0.001 0.000 0.255 338 T C 0.789 175.495 174.700 0.009 0.000 1.073 338 T CA 0.199 62.336 62.100 0.063 0.000 1.125 338 T CB 0.359 69.280 68.868 0.089 0.000 0.908 338 T HN 0.110 nan 8.240 nan 0.000 0.480 339 A N 2.726 125.521 122.820 -0.042 0.000 2.340 339 A HA 0.738 5.058 4.320 0.001 0.000 0.331 339 A C -2.690 174.836 177.584 -0.096 0.000 1.140 339 A CA -2.194 49.747 52.037 -0.160 0.000 0.801 339 A CB 0.810 19.519 19.000 -0.487 0.000 1.234 339 A HN 0.234 nan 8.150 nan 0.000 0.469 340 P HA 0.304 nan 4.420 nan 0.000 0.271 340 P C 0.129 177.411 177.300 -0.030 0.000 1.216 340 P CA 0.178 63.257 63.100 -0.035 0.000 0.771 340 P CB 0.767 32.454 31.700 -0.022 0.000 0.864 341 A N 4.547 127.374 122.820 0.013 0.000 2.609 341 A HA -0.004 4.317 4.320 0.001 0.000 0.232 341 A C 0.689 178.302 177.584 0.049 0.000 1.041 341 A CA 0.070 52.138 52.037 0.051 0.000 0.753 341 A CB -0.712 18.322 19.000 0.057 0.000 0.966 341 A HN 0.536 nan 8.150 nan 0.000 0.510 342 I N 2.455 123.072 120.570 0.078 0.000 2.533 342 I HA 0.023 4.194 4.170 0.001 0.000 0.284 342 I C 1.162 177.323 176.117 0.073 0.000 1.109 342 I CA 0.024 61.365 61.300 0.069 0.000 1.412 342 I CB 0.655 38.709 38.000 0.090 0.000 1.396 342 I HN 0.774 nan 8.210 nan 0.000 0.543 343 Q N 4.620 124.460 119.800 0.066 0.000 2.505 343 Q HA 0.259 4.600 4.340 0.001 0.000 0.184 343 Q C 0.009 176.062 176.000 0.089 0.000 0.878 343 Q CA 0.020 55.867 55.803 0.073 0.000 0.811 343 Q CB -0.055 28.726 28.738 0.071 0.000 1.118 343 Q HN 0.572 nan 8.270 nan 0.000 0.605 344 E N 1.443 121.697 120.200 0.091 0.000 2.392 344 E HA 0.204 4.555 4.350 0.001 0.000 0.264 344 E C -0.426 176.240 176.600 0.111 0.000 1.024 344 E CA 0.025 56.490 56.400 0.109 0.000 0.903 344 E CB 0.635 30.380 29.700 0.075 0.000 0.963 344 E HN 0.140 nan 8.360 nan 0.000 0.432 345 L N 4.128 125.450 121.223 0.166 0.000 2.352 345 L HA 0.473 4.813 4.340 0.001 0.000 0.269 345 L C -1.944 174.984 176.870 0.096 0.000 1.034 345 L CA -2.047 52.906 54.840 0.188 0.000 0.806 345 L CB 1.077 43.374 42.059 0.397 0.000 1.244 345 L HN 0.420 nan 8.230 nan 0.000 0.447 346 P HA 0.100 nan 4.420 nan 0.000 0.281 346 P C -0.549 176.784 177.300 0.056 0.000 1.281 346 P CA -0.426 62.701 63.100 0.045 0.000 0.811 346 P CB 1.236 32.969 31.700 0.054 0.000 1.154 347 V N 0.652 120.575 119.914 0.015 0.000 2.694 347 V HA 0.037 4.158 4.120 0.001 0.000 0.306 347 V C -0.057 176.119 176.094 0.135 0.000 1.054 347 V CA 1.093 63.415 62.300 0.035 0.000 1.161 347 V CB -0.087 31.734 31.823 -0.003 0.000 0.916 347 V HN 0.670 nan 8.190 nan 0.000 0.490 348 Q N 4.877 124.805 119.800 0.214 0.000 2.377 348 Q HA 0.736 5.076 4.340 0.001 0.000 0.279 348 Q C -1.079 175.090 176.000 0.282 0.000 1.049 348 Q CA -0.016 55.953 55.803 0.278 0.000 0.825 348 Q CB 2.466 31.446 28.738 0.404 0.000 1.401 348 Q HN 1.180 nan 8.270 nan 0.000 0.404 349 S N 1.052 116.866 115.700 0.189 0.000 2.567 349 S HA 1.015 5.485 4.470 0.001 0.000 0.270 349 S C -1.582 172.954 174.600 -0.106 0.000 1.152 349 S CA -0.220 58.017 58.200 0.062 0.000 0.835 349 S CB 1.254 64.504 63.200 0.083 0.000 1.115 349 S HN 1.262 nan 8.310 nan 0.000 0.459 350 A N 1.048 123.614 122.820 -0.424 0.000 2.594 350 A HA 0.769 5.089 4.320 0.001 0.000 0.295 350 A C -1.201 176.386 177.584 0.004 0.000 1.071 350 A CA -0.756 51.117 52.037 -0.273 0.000 0.685 350 A CB 1.507 20.138 19.000 -0.616 0.000 1.285 350 A HN 1.329 nan 8.150 nan 0.000 0.405 351 V N 1.950 122.143 119.914 0.465 0.000 2.406 351 V HA 0.385 4.505 4.120 0.001 0.000 0.272 351 V C 1.397 177.567 176.094 0.127 0.000 1.043 351 V CA 0.765 63.238 62.300 0.288 0.000 0.915 351 V CB 0.823 32.822 31.823 0.294 0.000 0.988 351 V HN 1.193 nan 8.190 nan 0.000 0.466 352 T N 0.822 115.325 114.554 -0.085 0.000 2.990 352 T HA 0.174 4.524 4.350 0.001 0.000 0.249 352 T C 0.427 175.098 174.700 -0.050 0.000 1.039 352 T CA 0.064 62.138 62.100 -0.043 0.000 1.036 352 T CB 0.308 69.124 68.868 -0.087 0.000 0.994 352 T HN 0.551 nan 8.240 nan 0.000 0.489 353 Q N 1.689 121.429 119.800 -0.100 0.000 2.271 353 Q HA 0.453 4.794 4.340 0.001 0.000 0.268 353 Q C -3.131 172.841 176.000 -0.045 0.000 1.021 353 Q CA -2.318 53.444 55.803 -0.069 0.000 0.802 353 Q CB 2.951 31.631 28.738 -0.097 0.000 1.282 353 Q HN 0.101 nan 8.270 nan 0.000 0.431 354 P HA 0.327 nan 4.420 nan 0.000 0.282 354 P C -0.906 176.401 177.300 0.012 0.000 1.287 354 P CA -0.564 62.534 63.100 -0.004 0.000 0.792 354 P CB 1.004 32.703 31.700 -0.001 0.000 1.163 355 R N -0.426 120.086 120.500 0.019 0.000 2.500 355 R HA 0.464 4.805 4.340 0.001 0.000 0.277 355 R C -2.120 174.197 176.300 0.027 0.000 1.026 355 R CA -2.255 53.867 56.100 0.036 0.000 1.058 355 R CB -1.036 29.287 30.300 0.038 0.000 1.078 355 R HN 0.374 nan 8.270 nan 0.000 0.509 356 P HA -0.008 nan 4.420 nan 0.000 0.264 356 P C 0.716 178.028 177.300 0.021 0.000 1.183 356 P CA 1.036 64.150 63.100 0.023 0.000 0.763 356 P CB 0.400 32.124 31.700 0.039 0.000 0.807 357 G N 1.471 110.279 108.800 0.013 0.000 2.225 357 G HA2 -0.225 3.736 3.960 0.001 0.000 0.254 357 G HA3 -0.225 3.736 3.960 0.001 0.000 0.254 357 G C 0.525 175.431 174.900 0.009 0.000 0.988 357 G CA 0.078 45.185 45.100 0.012 0.000 0.625 357 G HN 0.865 nan 8.290 nan 0.000 0.527 358 A N 0.186 123.011 122.820 0.009 0.000 2.448 358 A HA 0.745 5.065 4.320 0.001 0.000 0.239 358 A C 0.844 178.430 177.584 0.004 0.000 1.080 358 A CA 1.161 53.203 52.037 0.008 0.000 0.779 358 A CB 0.446 19.451 19.000 0.008 0.000 1.026 358 A HN 2.109 nan 8.150 nan 0.000 0.499 359 A N 0.783 123.605 122.820 0.004 0.000 2.292 359 A HA 0.597 4.918 4.320 0.001 0.000 0.319 359 A C -0.025 177.559 177.584 0.000 0.000 1.206 359 A CA -0.022 52.016 52.037 0.001 0.000 0.835 359 A CB 0.401 19.402 19.000 0.002 0.000 1.164 359 A HN 2.083 nan 8.150 nan 0.000 0.505 360 V N 0.239 120.153 119.914 -0.001 0.000 2.604 360 V HA 0.708 4.828 4.120 0.001 0.000 0.305 360 V C -3.002 173.091 176.094 -0.002 0.000 1.043 360 V CA -2.756 59.543 62.300 -0.002 0.000 0.888 360 V CB 1.446 33.268 31.823 -0.003 0.000 0.995 360 V HN 0.646 nan 8.190 nan 0.000 0.429 361 P HA 0.286 nan 4.420 nan 0.000 0.268 361 P C -2.474 174.824 177.300 -0.003 0.000 1.205 361 P CA -0.718 62.381 63.100 -0.002 0.000 0.771 361 P CB -0.146 31.553 31.700 -0.001 0.000 0.858 362 P HA 0.074 nan 4.420 nan 0.000 0.271 362 P C 0.845 178.143 177.300 -0.003 0.000 1.244 362 P CA 0.553 63.650 63.100 -0.004 0.000 0.793 362 P CB 0.300 31.997 31.700 -0.004 0.000 0.984 363 G N 0.698 109.495 108.800 -0.004 0.000 4.257 363 G HA2 -0.185 3.776 3.960 0.001 0.000 0.270 363 G HA3 -0.185 3.776 3.960 0.001 0.000 0.270 363 G C -0.591 174.307 174.900 -0.003 0.000 1.717 363 G CA -0.059 45.039 45.100 -0.003 0.000 1.170 363 G HN 0.629 nan 8.290 nan 0.000 0.642 364 E N -0.053 120.147 120.200 -0.001 0.000 2.256 364 E HA 0.629 4.980 4.350 0.001 0.000 0.268 364 E C -1.420 175.181 176.600 0.001 0.000 0.877 364 E CA -0.735 55.665 56.400 0.000 0.000 0.757 364 E CB 2.551 32.252 29.700 0.002 0.000 1.183 364 E HN 0.492 nan 8.360 nan 0.000 0.418 365 L N 2.086 123.311 121.223 0.003 0.000 2.362 365 L HA 0.458 4.798 4.340 0.001 0.000 0.275 365 L C -0.886 175.991 176.870 0.012 0.000 0.998 365 L CA -0.084 54.759 54.840 0.005 0.000 0.820 365 L CB 2.106 44.168 42.059 0.004 0.000 1.270 365 L HN 0.379 nan 8.230 nan 0.000 0.415 366 T N 4.657 119.215 114.554 0.006 0.000 2.781 366 T HA 0.447 4.797 4.350 0.001 0.000 0.305 366 T C -0.359 174.342 174.700 0.001 0.000 1.001 366 T CA -0.282 61.822 62.100 0.008 0.000 0.950 366 T CB 0.584 69.448 68.868 -0.007 0.000 0.955 366 T HN 0.353 nan 8.240 nan 0.000 0.471 367 V N 5.256 125.193 119.914 0.039 0.000 2.465 367 V HA 0.431 4.552 4.120 0.001 0.000 0.279 367 V C 0.338 176.392 176.094 -0.067 0.000 1.045 367 V CA -0.483 61.845 62.300 0.048 0.000 0.938 367 V CB 1.000 32.938 31.823 0.191 0.000 0.986 367 V HN 0.708 nan 8.190 nan 0.000 0.467 368 K N 2.419 122.619 120.400 -0.333 0.000 2.395 368 K HA 0.872 5.193 4.320 0.001 0.000 0.247 368 K C -0.007 175.825 176.600 -1.280 0.000 0.973 368 K CA -0.555 55.293 56.287 -0.732 0.000 0.828 368 K CB 2.642 34.889 32.500 -0.421 0.000 1.272 368 K HN 0.907 nan 8.250 nan 0.000 0.439 369 G N 0.436 108.076 108.800 -1.933 0.000 2.554 369 G HA2 0.416 4.376 3.960 0.001 0.000 0.306 369 G HA3 0.416 4.376 3.960 0.001 0.000 0.306 369 G C -2.154 172.039 174.900 -1.180 0.000 1.320 369 G CA -0.689 43.478 45.100 -1.555 0.000 0.800 369 G HN 0.529 nan 8.290 nan 0.000 0.481 370 Y N -1.627 118.427 120.300 -0.410 0.000 2.598 370 Y HA 0.917 5.468 4.550 0.002 0.000 0.340 370 Y C -0.093 176.023 175.900 0.360 0.000 1.038 370 Y CA -1.453 56.541 58.100 -0.176 0.000 1.100 370 Y CB 1.763 40.002 38.460 -0.370 0.000 1.281 370 Y HN 1.258 nan 8.280 nan 0.000 0.488 371 A N 1.214 124.393 122.820 0.599 0.000 2.594 371 A HA 0.760 5.081 4.320 0.001 0.000 0.295 371 A C -2.307 175.661 177.584 0.640 0.000 1.071 371 A CA -0.577 51.780 52.037 0.535 0.000 0.685 371 A CB 1.318 20.507 19.000 0.315 0.000 1.285 371 A HN 1.094 nan 8.150 nan 0.000 0.405 372 W N 0.378 121.865 121.300 0.312 0.000 3.298 372 W HA 0.604 5.264 4.660 0.000 0.000 0.302 372 W C -1.089 175.530 176.519 0.166 0.000 1.255 372 W CA 0.281 57.783 57.345 0.261 0.000 1.196 372 W CB 1.423 31.059 29.460 0.294 0.000 1.364 372 W HN 1.083 nan 8.180 nan 0.000 0.566 373 S N 1.747 116.920 115.700 -0.879 0.000 2.595 373 S HA 0.778 5.249 4.470 0.001 0.000 0.281 373 S C -0.169 173.431 174.600 -1.666 0.000 1.117 373 S CA -0.076 57.579 58.200 -0.908 0.000 0.873 373 S CB 1.122 64.062 63.200 -0.434 0.000 1.108 373 S HN 1.003 nan 8.310 nan 0.000 0.477 374 G N 0.199 108.391 108.800 -1.014 0.000 2.616 374 G HA2 0.477 4.437 3.960 0.001 0.000 0.268 374 G HA3 0.477 4.437 3.960 0.001 0.000 0.268 374 G C 0.998 175.754 174.900 -0.240 0.000 1.213 374 G CA 0.116 44.869 45.100 -0.578 0.000 0.926 374 G HN 1.854 nan 8.290 nan 0.000 0.523 375 G N -1.806 107.016 108.800 0.036 0.000 2.153 375 G HA2 0.201 4.162 3.960 0.001 0.000 0.252 375 G HA3 0.201 4.162 3.960 0.001 0.000 0.252 375 G C 1.456 176.406 174.900 0.082 0.000 0.994 375 G CA 1.015 46.181 45.100 0.110 0.000 0.698 375 G HN 2.562 nan 8.290 nan 0.000 0.521 376 G N -1.298 107.533 108.800 0.051 0.000 2.155 376 G HA2 -0.311 3.650 3.960 0.001 0.000 0.257 376 G HA3 -0.311 3.650 3.960 0.001 0.000 0.257 376 G C 0.417 175.109 174.900 -0.347 0.000 0.983 376 G CA 1.008 45.858 45.100 -0.417 0.000 0.676 376 G HN 1.068 nan 8.290 nan 0.000 0.528 377 R N 0.764 121.105 120.500 -0.264 0.000 2.316 377 R HA 0.376 4.717 4.340 0.001 0.000 0.314 377 R C 0.589 176.735 176.300 -0.258 0.000 1.069 377 R CA -0.303 55.650 56.100 -0.244 0.000 0.959 377 R CB 0.839 31.015 30.300 -0.207 0.000 0.987 377 R HN 0.556 nan 8.270 nan 0.000 0.446 378 E N 2.455 122.529 120.200 -0.209 0.000 2.383 378 E HA 0.045 4.396 4.350 0.001 0.000 0.264 378 E C -0.648 175.861 176.600 -0.150 0.000 1.050 378 E CA -0.456 55.850 56.400 -0.157 0.000 0.896 378 E CB 0.918 30.541 29.700 -0.129 0.000 0.982 378 E HN 0.208 nan 8.360 nan 0.000 0.424 379 V N 5.770 125.634 119.914 -0.084 0.000 2.470 379 V HA -0.018 4.102 4.120 0.001 0.000 0.276 379 V C 1.173 177.218 176.094 -0.083 0.000 1.040 379 V CA 0.138 62.397 62.300 -0.068 0.000 1.008 379 V CB 0.838 32.678 31.823 0.028 0.000 0.990 379 V HN 0.711 nan 8.190 nan 0.000 0.477 380 V N 2.582 122.410 119.914 -0.143 0.000 3.431 380 V HA 0.436 4.557 4.120 0.001 0.000 0.253 380 V C 0.751 176.780 176.094 -0.108 0.000 1.184 380 V CA 0.384 62.598 62.300 -0.143 0.000 1.104 380 V CB -0.114 31.564 31.823 -0.242 0.000 0.799 380 V HN 0.758 nan 8.190 nan 0.000 0.462 381 R N -0.656 119.772 120.500 -0.120 0.000 2.629 381 R HA 0.699 5.040 4.340 0.001 0.000 0.266 381 R C -2.303 173.895 176.300 -0.170 0.000 1.051 381 R CA -0.425 55.603 56.100 -0.120 0.000 0.895 381 R CB 2.813 33.047 30.300 -0.110 0.000 1.246 381 R HN 0.102 nan 8.270 nan 0.000 0.459 382 V N 3.339 123.121 119.914 -0.219 0.000 2.483 382 V HA 0.338 4.458 4.120 0.001 0.000 0.297 382 V C -0.964 174.908 176.094 -0.370 0.000 1.027 382 V CA -0.857 61.218 62.300 -0.374 0.000 0.855 382 V CB 1.915 33.367 31.823 -0.619 0.000 0.995 382 V HN 0.699 nan 8.190 nan 0.000 0.424 383 D N 3.295 123.468 120.400 -0.380 0.000 2.175 383 D HA 0.605 5.246 4.640 0.001 0.000 0.248 383 D C -0.590 175.628 176.300 -0.137 0.000 1.047 383 D CA -0.091 53.756 54.000 -0.255 0.000 0.883 383 D CB 2.576 43.101 40.800 -0.457 0.000 1.180 383 D HN 0.253 nan 8.370 nan 0.000 0.438 384 V N 1.105 121.038 119.914 0.032 0.000 2.656 384 V HA 0.460 4.581 4.120 0.001 0.000 0.307 384 V C -0.060 176.028 176.094 -0.009 0.000 1.051 384 V CA -0.638 61.656 62.300 -0.010 0.000 0.893 384 V CB 2.026 33.767 31.823 -0.135 0.000 0.999 384 V HN 0.510 nan 8.190 nan 0.000 0.426 385 S N 3.238 118.782 115.700 -0.260 0.000 2.536 385 S HA 0.712 5.182 4.470 0.001 0.000 0.298 385 S C 0.239 174.649 174.600 -0.317 0.000 1.083 385 S CA -0.631 57.236 58.200 -0.555 0.000 0.995 385 S CB 1.560 63.971 63.200 -1.315 0.000 1.058 385 S HN 0.593 nan 8.310 nan 0.000 0.488 386 L N 2.124 123.191 121.223 -0.259 0.000 2.638 386 L HA 0.346 4.687 4.340 0.001 0.000 0.232 386 L C 0.401 177.170 176.870 -0.168 0.000 1.099 386 L CA -0.011 54.732 54.840 -0.163 0.000 0.883 386 L CB -0.074 41.922 42.059 -0.106 0.000 1.136 386 L HN 0.631 nan 8.230 nan 0.000 0.492 387 D N -0.195 120.066 120.400 -0.232 0.000 2.738 387 D HA 0.232 4.872 4.640 0.001 0.000 0.246 387 D C 1.266 177.449 176.300 -0.195 0.000 1.270 387 D CA 0.041 53.931 54.000 -0.184 0.000 0.833 387 D CB 0.355 41.057 40.800 -0.164 0.000 1.040 387 D HN 0.145 nan 8.370 nan 0.000 0.487 388 G N -0.541 108.138 108.800 -0.202 0.000 2.148 388 G HA2 -0.083 3.877 3.960 0.001 0.000 0.254 388 G HA3 -0.083 3.877 3.960 0.001 0.000 0.254 388 G C 1.071 175.893 174.900 -0.130 0.000 0.981 388 G CA 0.148 45.175 45.100 -0.122 0.000 0.670 388 G HN 1.497 nan 8.290 nan 0.000 0.528 389 G N -1.660 106.882 108.800 -0.431 0.000 2.143 389 G HA2 -0.148 3.813 3.960 0.001 0.000 0.175 389 G HA3 -0.148 3.813 3.960 0.001 0.000 0.175 389 G C 0.847 175.551 174.900 -0.325 0.000 1.004 389 G CA 0.886 45.650 45.100 -0.560 0.000 0.671 389 G HN 0.879 nan 8.290 nan 0.000 0.512 390 R N 0.127 120.418 120.500 -0.347 0.000 2.064 390 R HA 0.257 4.597 4.340 0.001 0.000 0.221 390 R C 1.653 177.821 176.300 -0.221 0.000 1.136 390 R CA 1.593 57.597 56.100 -0.159 0.000 0.980 390 R CB -0.147 30.091 30.300 -0.104 0.000 0.876 390 R HN 0.569 nan 8.270 nan 0.000 0.437 391 T N -2.200 112.113 114.554 -0.401 0.000 2.940 391 T HA 0.542 4.893 4.350 0.001 0.000 0.288 391 T C -1.047 173.304 174.700 -0.582 0.000 1.033 391 T CA -0.831 61.089 62.100 -0.300 0.000 1.033 391 T CB 1.565 70.347 68.868 -0.144 0.000 1.079 391 T HN 0.166 nan 8.240 nan 0.000 0.496 392 W N 0.063 121.305 121.300 -0.096 0.000 3.033 392 W HA 0.691 5.352 4.660 0.001 0.000 0.336 392 W C -0.492 175.963 176.519 -0.106 0.000 1.173 392 W CA -0.947 56.319 57.345 -0.131 0.000 1.185 392 W CB 2.170 31.529 29.460 -0.168 0.000 1.425 392 W HN 0.637 nan 8.180 nan 0.000 0.536 393 K N 0.893 121.376 120.400 0.139 0.000 2.477 393 K HA 0.631 4.952 4.320 0.001 0.000 0.255 393 K C -1.231 175.381 176.600 0.019 0.000 0.952 393 K CA -1.144 55.176 56.287 0.055 0.000 0.826 393 K CB 2.694 35.205 32.500 0.018 0.000 1.331 393 K HN 0.163 nan 8.250 nan 0.000 0.437 394 V N 2.158 122.067 119.914 -0.008 0.000 2.555 394 V HA 0.239 4.360 4.120 0.001 0.000 0.286 394 V C 0.377 176.448 176.094 -0.038 0.000 1.044 394 V CA -0.395 61.878 62.300 -0.045 0.000 1.026 394 V CB 0.939 32.741 31.823 -0.035 0.000 0.981 394 V HN 0.904 nan 8.190 nan 0.000 0.480 395 A N 5.514 128.287 122.820 -0.078 0.000 2.287 395 A HA 0.583 4.903 4.320 0.001 0.000 0.273 395 A C 0.365 177.975 177.584 0.043 0.000 1.091 395 A CA -0.553 51.480 52.037 -0.006 0.000 0.817 395 A CB 0.350 19.306 19.000 -0.073 0.000 1.069 395 A HN 0.840 nan 8.150 nan 0.000 0.492 396 R N 0.709 121.271 120.500 0.103 0.000 2.340 396 R HA 0.474 4.814 4.340 0.001 0.000 0.300 396 R C -1.170 175.208 176.300 0.129 0.000 1.069 396 R CA -0.204 55.948 56.100 0.088 0.000 0.984 396 R CB 0.163 30.507 30.300 0.072 0.000 1.003 396 R HN 0.665 nan 8.270 nan 0.000 0.459 397 L N 5.709 126.987 121.223 0.090 0.000 2.309 397 L HA 0.458 4.799 4.340 0.001 0.000 0.282 397 L C -0.270 176.645 176.870 0.075 0.000 1.036 397 L CA -0.659 54.246 54.840 0.109 0.000 0.806 397 L CB 1.754 43.860 42.059 0.078 0.000 1.220 397 L HN 0.591 nan 8.230 nan 0.000 0.429 398 M N 2.251 121.903 119.600 0.087 0.000 2.253 398 M HA 0.707 5.188 4.480 0.001 0.000 0.314 398 M C -0.008 176.335 176.300 0.072 0.000 1.019 398 M CA -0.185 55.139 55.300 0.039 0.000 0.932 398 M CB 2.350 34.962 32.600 0.019 0.000 1.606 398 M HN 0.719 nan 8.290 nan 0.000 0.430 399 G N 0.645 109.429 108.800 -0.026 0.000 2.606 399 G HA2 0.443 4.403 3.960 0.001 0.000 0.300 399 G HA3 0.443 4.403 3.960 0.001 0.000 0.300 399 G C -1.413 173.350 174.900 -0.228 0.000 1.360 399 G CA -0.634 44.460 45.100 -0.009 0.000 0.783 399 G HN 0.680 nan 8.290 nan 0.000 0.484 400 D N -0.943 119.378 120.400 -0.131 0.000 2.424 400 D HA 0.175 4.816 4.640 0.001 0.000 0.220 400 D C 0.610 176.894 176.300 -0.026 0.000 1.150 400 D CA -0.809 53.108 54.000 -0.138 0.000 0.831 400 D CB 0.419 41.166 40.800 -0.088 0.000 0.981 400 D HN 0.246 nan 8.370 nan 0.000 0.500 401 K N 0.588 120.983 120.400 -0.009 0.000 4.814 401 K HA -0.165 4.155 4.320 0.001 0.000 0.295 401 K C -0.395 176.197 176.600 -0.013 0.000 0.828 401 K CA 0.547 56.826 56.287 -0.013 0.000 0.895 401 K CB -1.815 30.669 32.500 -0.026 0.000 1.810 401 K HN 0.491 nan 8.250 nan 0.000 0.418 402 A N 4.035 126.843 122.820 -0.019 0.000 2.313 402 A HA 0.585 4.905 4.320 0.001 0.000 0.261 402 A C -1.877 175.659 177.584 -0.080 0.000 1.090 402 A CA -0.972 51.034 52.037 -0.053 0.000 0.807 402 A CB 0.070 19.005 19.000 -0.109 0.000 1.055 402 A HN 0.439 nan 8.150 nan 0.000 0.492 403 P HA 0.228 nan 4.420 nan 0.000 0.269 403 P C -2.520 174.703 177.300 -0.129 0.000 1.215 403 P CA -0.863 62.190 63.100 -0.079 0.000 0.780 403 P CB -0.440 31.230 31.700 -0.049 0.000 0.898 404 P HA -0.022 nan 4.420 nan 0.000 0.264 404 P C 0.980 178.184 177.300 -0.160 0.000 1.183 404 P CA 1.194 64.222 63.100 -0.118 0.000 0.763 404 P CB -0.034 31.620 31.700 -0.075 0.000 0.807 405 G N 3.271 111.946 108.800 -0.208 0.000 2.184 405 G HA2 -0.315 3.646 3.960 0.001 0.000 0.264 405 G HA3 -0.315 3.646 3.960 0.001 0.000 0.264 405 G C 0.616 175.214 174.900 -0.504 0.000 0.975 405 G CA 0.029 44.979 45.100 -0.250 0.000 0.642 405 G HN 0.605 nan 8.290 nan 0.000 0.536 406 R N -0.267 119.833 120.500 -0.666 0.000 2.659 406 R HA 0.535 4.876 4.340 0.001 0.000 0.418 406 R C 0.869 176.383 176.300 -1.310 0.000 1.076 406 R CA 0.287 55.588 56.100 -1.331 0.000 1.093 406 R CB 0.906 30.815 30.300 -0.651 0.000 1.400 406 R HN 0.491 nan 8.270 nan 0.000 0.583 407 A N 0.679 123.036 122.820 -0.772 0.000 2.906 407 A HA 0.074 4.395 4.320 0.001 0.000 0.289 407 A C 0.153 177.651 177.584 -0.143 0.000 1.675 407 A CA -0.460 51.363 52.037 -0.356 0.000 1.372 407 A CB -0.674 18.203 19.000 -0.205 0.000 1.091 407 A HN 0.608 nan 8.150 nan 0.000 0.579 408 W N 2.163 123.565 121.300 0.170 0.000 2.658 408 W HA 0.300 4.961 4.660 0.000 0.000 0.263 408 W C 1.196 177.965 176.519 0.416 0.000 1.274 408 W CA 0.267 57.769 57.345 0.262 0.000 1.343 408 W CB 0.318 29.896 29.460 0.197 0.000 1.106 408 W HN 0.652 nan 8.180 nan 0.000 0.615 409 A N 0.944 124.082 122.820 0.530 0.000 2.312 409 A HA 0.467 4.787 4.320 0.001 0.000 0.328 409 A C -0.430 177.539 177.584 0.642 0.000 1.158 409 A CA -0.862 51.436 52.037 0.435 0.000 0.821 409 A CB 0.065 19.306 19.000 0.403 0.000 1.170 409 A HN 0.202 nan 8.150 nan 0.000 0.490 410 W N 1.143 122.675 121.300 0.387 0.000 2.073 410 W HA 0.487 5.147 4.660 0.001 0.000 0.358 410 W C 0.016 176.760 176.519 0.375 0.000 1.321 410 W CA -0.991 56.605 57.345 0.418 0.000 1.317 410 W CB -0.577 28.992 29.460 0.183 0.000 1.226 410 W HN 0.899 nan 8.180 nan 0.000 0.622 411 A N 2.652 125.803 122.820 0.552 0.000 2.304 411 A HA 0.707 5.027 4.320 0.001 0.000 0.323 411 A C -0.768 176.910 177.584 0.156 0.000 1.195 411 A CA -0.985 51.266 52.037 0.357 0.000 0.826 411 A CB 0.416 19.586 19.000 0.284 0.000 1.184 411 A HN 0.690 nan 8.150 nan 0.000 0.496 412 L N 3.118 124.365 121.223 0.040 0.000 2.357 412 L HA 0.599 4.940 4.340 0.001 0.000 0.273 412 L C -0.264 176.639 176.870 0.056 0.000 1.080 412 L CA -0.572 54.184 54.840 -0.141 0.000 0.803 412 L CB 1.055 42.977 42.059 -0.229 0.000 1.174 412 L HN 0.888 nan 8.230 nan 0.000 0.443 413 W N 2.518 123.778 121.300 -0.067 0.000 3.033 413 W HA 0.680 5.341 4.660 0.001 0.000 0.336 413 W C -1.320 175.175 176.519 -0.040 0.000 1.173 413 W CA -0.812 56.509 57.345 -0.040 0.000 1.185 413 W CB 1.489 30.930 29.460 -0.032 0.000 1.425 413 W HN 0.655 nan 8.180 nan 0.000 0.536 414 E N 1.827 122.205 120.200 0.297 0.000 2.356 414 E HA 0.719 5.070 4.350 0.001 0.000 0.275 414 E C -2.401 174.356 176.600 0.262 0.000 0.904 414 E CA -1.113 55.396 56.400 0.182 0.000 0.757 414 E CB 2.904 32.618 29.700 0.024 0.000 1.232 414 E HN 0.367 nan 8.360 nan 0.000 0.442 415 L N 1.512 122.876 121.223 0.234 0.000 2.482 415 L HA 0.436 4.777 4.340 0.001 0.000 0.269 415 L C -1.370 175.558 176.870 0.096 0.000 0.967 415 L CA 0.021 54.956 54.840 0.158 0.000 0.851 415 L CB 2.383 44.544 42.059 0.170 0.000 1.242 415 L HN 0.730 nan 8.230 nan 0.000 0.404 416 T N 4.345 118.934 114.554 0.058 0.000 2.744 416 T HA 0.634 4.985 4.350 0.001 0.000 0.291 416 T C -0.840 173.876 174.700 0.027 0.000 0.957 416 T CA -0.203 61.918 62.100 0.035 0.000 1.002 416 T CB 1.191 70.072 68.868 0.023 0.000 0.919 416 T HN 0.451 nan 8.240 nan 0.000 0.468 417 V N 6.177 126.103 119.914 0.021 0.000 2.841 417 V HA 0.621 4.741 4.120 0.001 0.000 0.310 417 V C -2.523 173.572 176.094 0.003 0.000 1.090 417 V CA -2.635 59.672 62.300 0.011 0.000 0.930 417 V CB 2.675 34.505 31.823 0.011 0.000 1.014 417 V HN 0.626 nan 8.190 nan 0.000 0.425 418 P HA 0.262 nan 4.420 nan 0.000 0.276 418 P C -0.937 176.357 177.300 -0.010 0.000 1.235 418 P CA 0.166 63.263 63.100 -0.005 0.000 0.772 418 P CB 1.178 32.874 31.700 -0.007 0.000 0.871 419 V N 0.514 120.423 119.914 -0.009 0.000 2.531 419 V HA 0.481 4.602 4.120 0.001 0.000 0.301 419 V C -0.125 175.963 176.094 -0.010 0.000 1.034 419 V CA -0.885 61.408 62.300 -0.011 0.000 0.865 419 V CB 2.160 33.977 31.823 -0.010 0.000 0.995 419 V HN 0.320 nan 8.190 nan 0.000 0.424 420 E N 3.034 123.226 120.200 -0.013 0.000 2.301 420 E HA 0.535 4.886 4.350 0.001 0.000 0.275 420 E C 0.433 177.027 176.600 -0.010 0.000 1.030 420 E CA -0.275 56.118 56.400 -0.011 0.000 0.852 420 E CB 2.013 31.705 29.700 -0.013 0.000 1.060 420 E HN 1.086 nan 8.360 nan 0.000 0.401 421 A N 1.543 124.358 122.820 -0.008 0.000 2.545 421 A HA 0.345 4.665 4.320 0.001 0.000 0.253 421 A C 1.143 178.723 177.584 -0.007 0.000 1.074 421 A CA 0.853 52.886 52.037 -0.007 0.000 0.760 421 A CB -0.630 18.367 19.000 -0.005 0.000 1.005 421 A HN 0.809 nan 8.150 nan 0.000 0.506 422 G N 2.498 111.294 108.800 -0.007 0.000 2.212 422 G HA2 -0.029 3.932 3.960 0.001 0.000 0.255 422 G HA3 -0.029 3.932 3.960 0.001 0.000 0.255 422 G C 0.222 175.116 174.900 -0.009 0.000 1.062 422 G CA 0.730 45.825 45.100 -0.007 0.000 0.815 422 G HN 2.250 nan 8.290 nan 0.000 0.497 423 T N -2.447 112.100 114.554 -0.011 0.000 2.908 423 T HA 0.735 5.085 4.350 0.001 0.000 0.290 423 T C -0.487 174.204 174.700 -0.015 0.000 1.034 423 T CA -0.928 61.163 62.100 -0.014 0.000 1.010 423 T CB 2.742 71.599 68.868 -0.018 0.000 1.068 423 T HN 0.154 nan 8.240 nan 0.000 0.481 424 E N 1.818 122.008 120.200 -0.017 0.000 2.216 424 E HA 0.490 4.841 4.350 0.001 0.000 0.279 424 E C -0.669 175.915 176.600 -0.027 0.000 0.997 424 E CA -0.553 55.836 56.400 -0.018 0.000 0.817 424 E CB 1.994 31.685 29.700 -0.015 0.000 1.096 424 E HN 0.573 nan 8.360 nan 0.000 0.393 425 L N 1.425 122.631 121.223 -0.029 0.000 2.362 425 L HA 0.388 4.729 4.340 0.001 0.000 0.271 425 L C 0.110 176.954 176.870 -0.043 0.000 1.002 425 L CA -0.741 54.075 54.840 -0.041 0.000 0.818 425 L CB 1.854 43.889 42.059 -0.040 0.000 1.298 425 L HN 0.454 nan 8.230 nan 0.000 0.420 426 E N 3.238 123.402 120.200 -0.059 0.000 2.101 426 E HA 0.403 4.753 4.350 0.001 0.000 0.260 426 E C -0.971 175.578 176.600 -0.085 0.000 0.897 426 E CA -0.453 55.912 56.400 -0.059 0.000 0.744 426 E CB 0.810 30.482 29.700 -0.048 0.000 1.140 426 E HN 0.449 nan 8.360 nan 0.000 0.419 427 I N 4.771 125.299 120.570 -0.070 0.000 2.416 427 I HA 0.197 4.367 4.170 0.001 0.000 0.288 427 I C -0.503 175.575 176.117 -0.065 0.000 1.051 427 I CA -0.545 60.717 61.300 -0.065 0.000 1.375 427 I CB 0.977 38.965 38.000 -0.020 0.000 1.407 427 I HN 0.274 nan 8.210 nan 0.000 0.516 428 V N 5.866 125.731 119.914 -0.081 0.000 2.789 428 V HA 0.471 4.591 4.120 0.001 0.000 0.311 428 V C -0.323 175.783 176.094 0.020 0.000 1.073 428 V CA -0.672 61.614 62.300 -0.022 0.000 0.921 428 V CB 2.007 33.792 31.823 -0.063 0.000 1.009 428 V HN 0.984 nan 8.190 nan 0.000 0.426 429 C N 3.431 122.772 119.300 0.068 0.000 2.802 429 C HA 1.019 5.480 4.460 0.001 0.000 0.307 429 C C -0.913 174.005 174.990 -0.120 0.000 1.222 429 C CA -0.841 58.136 59.018 -0.069 0.000 1.580 429 C CB 1.514 29.164 27.740 -0.150 0.000 2.119 429 C HN 1.121 nan 8.230 nan 0.000 0.479 430 K N 2.435 122.649 120.400 -0.310 0.000 2.542 430 K HA 0.814 5.134 4.320 0.001 0.000 0.259 430 K C -1.158 175.261 176.600 -0.302 0.000 0.932 430 K CA -0.287 55.810 56.287 -0.316 0.000 0.820 430 K CB 1.832 33.919 32.500 -0.688 0.000 1.345 430 K HN 1.330 nan 8.250 nan 0.000 0.432 431 A N 1.941 124.667 122.820 -0.157 0.000 2.350 431 A HA 0.784 5.104 4.320 0.001 0.000 0.318 431 A C -1.114 176.405 177.584 -0.109 0.000 1.132 431 A CA -0.851 51.100 52.037 -0.143 0.000 0.811 431 A CB 1.832 20.796 19.000 -0.059 0.000 1.313 431 A HN 0.411 nan 8.150 nan 0.000 0.454 432 V N 2.437 122.276 119.914 -0.125 0.000 2.577 432 V HA 0.375 4.495 4.120 0.001 0.000 0.303 432 V C -0.826 175.160 176.094 -0.180 0.000 1.042 432 V CA -0.663 61.560 62.300 -0.128 0.000 0.872 432 V CB 1.652 33.402 31.823 -0.121 0.000 0.998 432 V HN 1.121 nan 8.190 nan 0.000 0.423 433 D N 3.065 123.352 120.400 -0.190 0.000 2.506 433 D HA 0.209 4.849 4.640 0.001 0.000 0.272 433 D C 1.284 177.362 176.300 -0.369 0.000 1.214 433 D CA 0.073 53.933 54.000 -0.234 0.000 1.067 433 D CB 1.035 41.721 40.800 -0.189 0.000 1.117 433 D HN 0.415 nan 8.370 nan 0.000 0.578 434 S N -1.424 114.091 115.700 -0.309 0.000 2.515 434 S HA -0.100 4.371 4.470 0.001 0.000 0.231 434 S C 1.462 175.911 174.600 -0.252 0.000 0.987 434 S CA 0.617 58.617 58.200 -0.333 0.000 0.936 434 S CB -0.798 62.275 63.200 -0.212 0.000 0.766 434 S HN 0.544 nan 8.310 nan 0.000 0.528 435 S N -0.514 115.086 115.700 -0.166 0.000 2.577 435 S HA 0.230 4.701 4.470 0.001 0.000 0.219 435 S C 0.129 174.776 174.600 0.078 0.000 0.962 435 S CA -0.626 57.559 58.200 -0.026 0.000 0.921 435 S CB -1.025 62.164 63.200 -0.019 0.000 0.789 435 S HN 0.435 nan 8.310 nan 0.000 0.497 436 Y N 0.539 120.809 120.300 -0.049 0.000 4.177 436 Y HA -0.250 4.300 4.550 0.000 0.000 0.227 436 Y C 0.183 176.059 175.900 -0.040 0.000 1.154 436 Y CA 0.260 58.332 58.100 -0.047 0.000 1.887 436 Y CB -2.836 35.598 38.460 -0.043 0.000 1.594 436 Y HN 0.462 nan 8.280 nan 0.000 0.668 437 N N -0.202 118.515 118.700 0.029 0.000 2.479 437 N HA 0.473 5.213 4.740 0.001 0.000 0.257 437 N C -0.078 175.439 175.510 0.012 0.000 1.232 437 N CA 0.267 53.329 53.050 0.020 0.000 0.920 437 N CB 0.972 39.456 38.487 -0.006 0.000 1.105 437 N HN 0.180 nan 8.380 nan 0.000 0.444 438 V N -1.297 118.636 119.914 0.033 0.000 3.141 438 V HA 0.493 4.614 4.120 0.001 0.000 0.312 438 V C -0.752 175.391 176.094 0.080 0.000 1.157 438 V CA -1.090 61.236 62.300 0.043 0.000 1.041 438 V CB 1.872 33.725 31.823 0.051 0.000 1.071 438 V HN 0.526 nan 8.190 nan 0.000 0.441 439 Q N 2.077 121.963 119.800 0.144 0.000 2.230 439 Q HA 0.534 4.875 4.340 0.001 0.000 0.253 439 Q C -2.538 173.598 176.000 0.228 0.000 0.919 439 Q CA -1.813 54.113 55.803 0.204 0.000 0.908 439 Q CB 1.986 30.908 28.738 0.307 0.000 1.245 439 Q HN 0.676 nan 8.270 nan 0.000 0.437 440 P HA 0.073 nan 4.420 nan 0.000 0.276 440 P C -0.600 176.316 177.300 -0.640 0.000 1.244 440 P CA -0.246 62.760 63.100 -0.156 0.000 0.801 440 P CB 0.964 32.601 31.700 -0.105 0.000 1.006 441 D N -0.334 119.553 120.400 -0.855 0.000 2.097 441 D HA -0.075 4.565 4.640 0.001 0.000 0.195 441 D C 0.928 176.675 176.300 -0.922 0.000 0.989 441 D CA 1.658 54.687 54.000 -1.618 0.000 0.827 441 D CB -0.269 39.946 40.800 -0.976 0.000 0.966 441 D HN 0.501 nan 8.370 nan 0.000 0.456 442 S N -1.319 114.116 115.700 -0.442 0.000 2.632 442 S HA 0.478 4.948 4.470 0.001 0.000 0.289 442 S C 0.778 175.323 174.600 -0.091 0.000 1.115 442 S CA -0.847 57.227 58.200 -0.210 0.000 0.889 442 S CB 2.173 65.287 63.200 -0.144 0.000 1.116 442 S HN -0.117 nan 8.310 nan 0.000 0.486 443 V N 0.968 120.878 119.914 -0.006 0.000 2.535 443 V HA 0.098 4.219 4.120 0.001 0.000 0.246 443 V C 2.941 179.101 176.094 0.109 0.000 1.045 443 V CA 1.433 63.773 62.300 0.065 0.000 1.058 443 V CB -1.766 30.125 31.823 0.113 0.000 0.689 443 V HN 1.017 nan 8.190 nan 0.000 0.461 444 A N 1.298 124.166 122.820 0.080 0.000 1.903 444 A HA -0.171 4.149 4.320 0.001 0.000 0.219 444 A C 0.560 178.211 177.584 0.113 0.000 1.191 444 A CA 2.446 54.536 52.037 0.089 0.000 0.638 444 A CB -1.982 17.026 19.000 0.012 0.000 0.823 444 A HN 0.574 nan 8.150 nan 0.000 0.451 445 P HA 0.000 nan 4.420 nan 0.000 0.233 445 P C 0.943 178.291 177.300 0.080 0.000 1.167 445 P CA 0.803 63.936 63.100 0.055 0.000 0.770 445 P CB -0.119 31.587 31.700 0.009 0.000 0.837 446 I N -7.539 113.089 120.570 0.098 0.000 4.025 446 I HA 0.361 4.532 4.170 0.001 0.000 0.336 446 I C 0.303 176.488 176.117 0.115 0.000 1.390 446 I CA -0.866 60.485 61.300 0.084 0.000 1.099 446 I CB -0.337 37.690 38.000 0.045 0.000 1.049 446 I HN -0.233 nan 8.210 nan 0.000 0.394 447 W N 4.617 125.923 121.300 0.010 0.000 2.193 447 W HA 0.252 4.913 4.660 0.003 0.000 0.338 447 W C 0.011 176.539 176.519 0.014 0.000 1.310 447 W CA 0.629 57.983 57.345 0.015 0.000 1.243 447 W CB 0.470 29.934 29.460 0.007 0.000 1.165 447 W HN 0.497 nan 8.180 nan 0.000 0.566 448 N N 2.771 120.895 118.700 -0.960 0.000 2.591 448 N HA 0.324 5.064 4.740 0.001 0.000 0.263 448 N C -0.104 174.498 175.510 -1.514 0.000 1.308 448 N CA -0.577 51.940 53.050 -0.889 0.000 0.837 448 N CB 0.913 39.217 38.487 -0.305 0.000 1.548 448 N HN 0.316 nan 8.380 nan 0.000 0.493 449 L N -2.491 118.102 121.223 -1.050 0.000 2.201 449 L HA 0.253 4.594 4.340 0.001 0.000 0.212 449 L C 1.807 178.362 176.870 -0.525 0.000 1.105 449 L CA 1.126 55.472 54.840 -0.823 0.000 0.775 449 L CB -0.455 41.143 42.059 -0.767 0.000 0.913 449 L HN 0.579 nan 8.230 nan 0.000 0.440 450 R N 0.859 121.118 120.500 -0.403 0.000 2.275 450 R HA 0.159 4.500 4.340 0.001 0.000 0.199 450 R C 1.424 177.686 176.300 -0.063 0.000 0.989 450 R CA 0.763 56.792 56.100 -0.118 0.000 1.016 450 R CB -0.477 29.836 30.300 0.023 0.000 0.918 450 R HN 0.681 nan 8.270 nan 0.000 0.473 451 G N 1.212 109.878 108.800 -0.223 0.000 2.179 451 G HA2 -0.280 3.681 3.960 0.001 0.000 0.257 451 G HA3 -0.280 3.681 3.960 0.001 0.000 0.257 451 G C 0.397 175.289 174.900 -0.014 0.000 1.010 451 G CA 0.616 45.629 45.100 -0.144 0.000 0.736 451 G HN 0.310 nan 8.290 nan 0.000 0.513 452 V N -2.671 117.244 119.914 0.000 0.000 3.262 452 V HA 0.784 4.905 4.120 0.001 0.000 0.313 452 V C 1.593 177.704 176.094 0.027 0.000 1.070 452 V CA -0.423 61.918 62.300 0.068 0.000 1.049 452 V CB 1.308 33.210 31.823 0.132 0.000 1.157 452 V HN 1.158 nan 8.190 nan 0.000 0.454 453 L N 0.048 121.301 121.223 0.051 0.000 3.632 453 L HA -0.139 4.202 4.340 0.001 0.000 0.510 453 L C 0.407 177.304 176.870 0.045 0.000 1.299 453 L CA 0.988 55.856 54.840 0.047 0.000 0.829 453 L CB -1.517 40.559 42.059 0.028 0.000 1.559 453 L HN 0.968 nan 8.230 nan 0.000 0.857 454 S N 0.111 115.847 115.700 0.060 0.000 2.488 454 S HA 0.570 5.040 4.470 0.001 0.000 0.310 454 S C 0.811 175.466 174.600 0.093 0.000 1.093 454 S CA 0.213 58.455 58.200 0.070 0.000 1.129 454 S CB 0.547 63.792 63.200 0.075 0.000 0.989 454 S HN 0.487 nan 8.310 nan 0.000 0.479 455 T N 1.132 115.745 114.554 0.098 0.000 3.262 455 T HA 0.519 4.869 4.350 0.001 0.000 0.300 455 T C 0.545 175.329 174.700 0.140 0.000 0.959 455 T CA 0.112 62.287 62.100 0.126 0.000 0.936 455 T CB 0.125 69.067 68.868 0.123 0.000 1.169 455 T HN 0.596 nan 8.240 nan 0.000 0.532 456 A N 1.228 124.113 122.820 0.109 0.000 2.429 456 A HA 0.471 4.792 4.320 0.001 0.000 0.242 456 A C 0.258 177.989 177.584 0.244 0.000 1.088 456 A CA -0.542 51.539 52.037 0.075 0.000 0.784 456 A CB -0.178 18.825 19.000 0.005 0.000 1.038 456 A HN 0.515 nan 8.150 nan 0.000 0.501 457 W N 0.814 122.186 121.300 0.120 0.000 2.314 457 W HA 0.065 4.724 4.660 -0.001 0.000 0.339 457 W C 0.953 177.589 176.519 0.195 0.000 1.293 457 W CA 0.261 57.697 57.345 0.151 0.000 1.288 457 W CB -0.693 28.873 29.460 0.175 0.000 1.186 457 W HN 0.668 nan 8.180 nan 0.000 0.566 458 H N 4.168 123.419 119.070 0.302 0.000 2.646 458 H HA 0.322 4.879 4.556 0.002 0.000 0.325 458 H C -0.259 175.187 175.328 0.197 0.000 1.075 458 H CA -0.280 55.889 56.048 0.202 0.000 1.421 458 H CB 0.555 30.401 29.762 0.140 0.000 1.461 458 H HN 0.302 nan 8.280 nan 0.000 0.525 459 R N 4.250 124.699 120.500 -0.085 0.000 2.480 459 R HA 0.372 4.713 4.340 0.001 0.000 0.306 459 R C -1.325 174.824 176.300 -0.250 0.000 0.958 459 R CA -0.899 55.138 56.100 -0.104 0.000 0.861 459 R CB 2.319 32.646 30.300 0.046 0.000 1.171 459 R HN 0.257 nan 8.270 nan 0.000 0.445 460 V N 3.991 123.776 119.914 -0.214 0.000 2.407 460 V HA 0.391 4.512 4.120 0.001 0.000 0.291 460 V C -0.030 176.023 176.094 -0.069 0.000 1.018 460 V CA -0.843 61.363 62.300 -0.155 0.000 0.842 460 V CB 1.652 33.379 31.823 -0.161 0.000 0.996 460 V HN 0.644 nan 8.190 nan 0.000 0.426 461 R N 3.436 123.912 120.500 -0.039 0.000 2.221 461 R HA 0.690 5.031 4.340 0.001 0.000 0.327 461 R C -0.438 175.853 176.300 -0.014 0.000 1.033 461 R CA -0.298 55.789 56.100 -0.022 0.000 0.887 461 R CB 1.710 32.004 30.300 -0.010 0.000 1.057 461 R HN 0.681 nan 8.270 nan 0.000 0.455 462 V N -0.678 119.226 119.914 -0.016 0.000 3.141 462 V HA 0.778 4.898 4.120 0.001 0.000 0.312 462 V C -0.341 175.747 176.094 -0.010 0.000 1.157 462 V CA -0.884 61.410 62.300 -0.010 0.000 1.041 462 V CB 2.181 33.999 31.823 -0.009 0.000 1.071 462 V HN 0.781 nan 8.190 nan 0.000 0.441 463 S N 0.440 116.136 115.700 -0.007 0.000 2.600 463 S HA 0.893 5.363 4.470 0.001 0.000 0.300 463 S C -0.778 173.818 174.600 -0.007 0.000 1.087 463 S CA -0.703 57.493 58.200 -0.007 0.000 0.965 463 S CB 1.670 64.867 63.200 -0.005 0.000 1.089 463 S HN 1.343 nan 8.310 nan 0.000 0.496 464 V N 2.276 122.185 119.914 -0.008 0.000 2.513 464 V HA 0.428 4.549 4.120 0.001 0.000 0.299 464 V C 0.138 176.229 176.094 -0.005 0.000 1.035 464 V CA -0.799 61.497 62.300 -0.007 0.000 0.889 464 V CB 1.246 33.064 31.823 -0.009 0.000 0.988 464 V HN 0.975 nan 8.190 nan 0.000 0.440 465 Q N 1.594 121.392 119.800 -0.004 0.000 2.500 465 Q HA 0.246 4.587 4.340 0.001 0.000 0.215 465 Q C -0.632 175.366 176.000 -0.003 0.000 1.062 465 Q CA -0.568 55.234 55.803 -0.003 0.000 0.996 465 Q CB 0.584 29.321 28.738 -0.002 0.000 1.239 465 Q HN 0.660 nan 8.270 nan 0.000 0.578 466 D N 0.000 120.398 120.400 -0.003 0.000 6.856 466 D HA 0.000 4.641 4.640 0.001 0.000 0.175 466 D CA 0.000 53.998 54.000 -0.003 0.000 0.868 466 D CB 0.000 40.799 40.800 -0.002 0.000 0.688 466 D HN 0.000 nan 8.370 nan 0.000 0.683