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 2jdq_1_A DATA FIRST_RESID 84 DATA SEQUENCE TSDMIEMIFS KSPEQQLSAT QKFRKLLSKE PNPPIDEVIS TPGVVARFVE DATA SEQUENCE FLKRKENCTL QFESAWVLTN IASGNSLQTR IVIQAGAVPI FIELLSSEFE DATA SEQUENCE DVQEQAVWAL GNIAGDSTMC RDYVLDCNIL PPLLQLFSKQ NRLTMTRNAV DATA SEQUENCE WALSNLCRGK SPPPEFAKVS PCLNVLSWLL FVSDTDVLAD ACWALSYLSD DATA SEQUENCE GPNDKIQAVI DAGVCRRLVE LLMHNDYKVV SPALRAVGNI VTGDDIQTQV DATA SEQUENCE ILNCSALQSL LHLLSSPKES IKKEACWTIS NITAGNRAQI QTVIDANIFP DATA SEQUENCE ALISILQTAE FRTRKEAAWA ITNATSGGSA EQIKYLVELG CIKPLCDLLT DATA SEQUENCE VMDSKIVQVA LNGLENILRL GEQEAKRNGT GINPYCALIE EAYGLDKIEF DATA SEQUENCE LQSHENQEIY QKAFDLIEHY FGTE 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 84 T HA 0.000 nan 4.350 nan 0.000 0.228 84 T C 0.000 174.691 174.700 -0.015 0.000 1.109 84 T CA 0.000 62.067 62.100 -0.056 0.000 1.349 84 T CB 0.000 68.819 68.868 -0.081 0.000 0.612 85 S N -0.077 115.625 115.700 0.004 0.000 2.496 85 S HA 0.031 4.501 4.470 0.000 0.000 0.224 85 S C 1.080 175.703 174.600 0.038 0.000 0.996 85 S CA 0.791 59.010 58.200 0.032 0.000 0.927 85 S CB -0.177 63.039 63.200 0.026 0.000 0.774 85 S HN 0.660 nan 8.310 nan 0.000 0.524 86 D N 1.391 121.800 120.400 0.016 0.000 2.194 86 D HA 0.184 4.825 4.640 0.000 0.000 0.204 86 D C 1.863 178.178 176.300 0.025 0.000 0.964 86 D CA 0.741 54.752 54.000 0.018 0.000 0.846 86 D CB -0.213 40.587 40.800 0.001 0.000 0.962 86 D HN 0.303 nan 8.370 nan 0.000 0.490 87 M N -0.315 119.287 119.600 0.003 0.000 2.067 87 M HA -0.123 4.357 4.480 0.000 0.000 0.260 87 M C 1.965 178.347 176.300 0.137 0.000 1.069 87 M CA 1.257 56.569 55.300 0.021 0.000 1.117 87 M CB -0.125 32.373 32.600 -0.171 0.000 1.334 87 M HN 0.075 nan 8.290 nan 0.000 0.407 88 I N -0.364 120.290 120.570 0.140 0.000 2.226 88 I HA -0.276 3.894 4.170 0.000 0.000 0.245 88 I C 2.249 178.485 176.117 0.199 0.000 1.100 88 I CA 1.358 62.775 61.300 0.195 0.000 1.374 88 I CB -0.377 37.761 38.000 0.229 0.000 1.057 88 I HN 0.358 nan 8.210 nan 0.000 0.413 89 E N 0.566 120.852 120.200 0.144 0.000 2.017 89 E HA -0.246 4.104 4.350 0.000 0.000 0.193 89 E C 2.339 179.003 176.600 0.106 0.000 0.997 89 E CA 1.486 57.964 56.400 0.131 0.000 0.804 89 E CB -0.116 29.633 29.700 0.081 0.000 0.757 89 E HN 0.409 nan 8.360 nan 0.000 0.448 90 M N 0.420 120.062 119.600 0.069 0.000 2.149 90 M HA -0.181 4.299 4.480 0.000 0.000 0.261 90 M C 2.390 178.711 176.300 0.035 0.000 1.064 90 M CA 1.142 56.472 55.300 0.051 0.000 1.102 90 M CB -0.228 32.397 32.600 0.041 0.000 1.369 90 M HN 0.204 nan 8.290 nan 0.000 0.408 91 I N -0.481 120.075 120.570 -0.023 0.000 2.163 91 I HA -0.299 3.871 4.170 0.000 0.000 0.243 91 I C 1.691 177.646 176.117 -0.270 0.000 1.085 91 I CA 1.836 63.018 61.300 -0.198 0.000 1.347 91 I CB -0.218 37.460 38.000 -0.536 0.000 1.044 91 I HN 0.207 nan 8.210 nan 0.000 0.408 92 F N 0.649 120.608 119.950 0.015 0.000 2.797 92 F HA 0.018 4.545 4.527 0.000 0.000 0.302 92 F C 1.858 177.665 175.800 0.012 0.000 1.130 92 F CA -0.329 57.659 58.000 -0.020 0.000 1.387 92 F CB -0.217 38.756 39.000 -0.045 0.000 1.107 92 F HN 0.044 nan 8.300 nan 0.000 0.577 93 S N 0.582 116.374 115.700 0.153 0.000 2.617 93 S HA 0.121 4.591 4.470 0.000 0.000 0.255 93 S C 0.550 175.211 174.600 0.102 0.000 1.318 93 S CA -0.489 57.777 58.200 0.109 0.000 0.978 93 S CB 0.768 64.014 63.200 0.077 0.000 0.961 93 S HN 0.317 nan 8.310 nan 0.000 0.582 94 K N 0.596 121.041 120.400 0.076 0.000 2.618 94 K HA 0.224 4.545 4.320 0.000 0.000 0.207 94 K C -0.341 176.291 176.600 0.054 0.000 1.058 94 K CA -0.112 56.218 56.287 0.071 0.000 1.086 94 K CB 0.713 33.247 32.500 0.057 0.000 0.827 94 K HN 0.648 nan 8.250 nan 0.000 0.481 95 S N -0.375 115.353 115.700 0.046 0.000 2.456 95 S HA 0.351 4.821 4.470 0.000 0.000 0.316 95 S C -2.252 172.353 174.600 0.008 0.000 1.089 95 S CA -1.577 56.638 58.200 0.025 0.000 1.101 95 S CB 1.661 64.872 63.200 0.018 0.000 0.995 95 S HN -0.162 nan 8.310 nan 0.000 0.468 96 P HA -0.142 nan 4.420 nan 0.000 0.218 96 P C 1.183 178.445 177.300 -0.064 0.000 1.146 96 P CA 1.181 64.253 63.100 -0.047 0.000 0.813 96 P CB 0.153 31.834 31.700 -0.033 0.000 0.778 97 E N -0.014 120.164 120.200 -0.036 0.000 2.028 97 E HA -0.176 4.174 4.350 0.000 0.000 0.191 97 E C 2.059 178.637 176.600 -0.035 0.000 0.988 97 E CA 1.279 57.658 56.400 -0.034 0.000 0.799 97 E CB -0.943 28.746 29.700 -0.019 0.000 0.755 97 E HN 0.457 nan 8.360 nan 0.000 0.447 98 Q N 0.596 120.383 119.800 -0.021 0.000 2.123 98 Q HA -0.083 4.257 4.340 0.000 0.000 0.199 98 Q C 2.322 178.312 176.000 -0.017 0.000 0.966 98 Q CA 0.835 56.633 55.803 -0.009 0.000 0.845 98 Q CB -0.081 28.663 28.738 0.010 0.000 0.907 98 Q HN 0.358 nan 8.270 nan 0.000 0.439 99 Q N 0.411 120.186 119.800 -0.043 0.000 2.014 99 Q HA -0.219 4.121 4.340 0.000 0.000 0.207 99 Q C 2.168 178.061 176.000 -0.178 0.000 0.993 99 Q CA 1.426 57.164 55.803 -0.109 0.000 0.850 99 Q CB -0.265 28.341 28.738 -0.220 0.000 0.916 99 Q HN 0.250 nan 8.270 nan 0.000 0.417 100 L N 0.395 121.507 121.223 -0.184 0.000 1.989 100 L HA -0.219 4.121 4.340 0.000 0.000 0.211 100 L C 2.354 179.189 176.870 -0.058 0.000 1.071 100 L CA 2.283 57.039 54.840 -0.140 0.000 0.749 100 L CB -1.159 40.836 42.059 -0.107 0.000 0.890 100 L HN 0.122 nan 8.230 nan 0.000 0.431 101 S N -0.950 114.728 115.700 -0.038 0.000 2.365 101 S HA -0.230 4.241 4.470 0.000 0.000 0.225 101 S C 2.097 176.705 174.600 0.012 0.000 1.039 101 S CA 1.518 59.709 58.200 -0.016 0.000 1.033 101 S CB -0.564 62.627 63.200 -0.016 0.000 0.887 101 S HN 0.716 nan 8.310 nan 0.000 0.447 102 A N 0.391 123.240 122.820 0.049 0.000 1.855 102 A HA -0.059 4.261 4.320 0.000 0.000 0.215 102 A C 2.387 180.149 177.584 0.297 0.000 1.191 102 A CA 2.248 54.367 52.037 0.138 0.000 0.613 102 A CB -1.625 17.475 19.000 0.167 0.000 0.829 102 A HN 0.573 nan 8.150 nan 0.000 0.442 103 T N 0.307 115.023 114.554 0.269 0.000 2.737 103 T HA -0.209 4.141 4.350 0.000 0.000 0.269 103 T C 2.002 176.791 174.700 0.148 0.000 1.040 103 T CA 1.795 64.095 62.100 0.333 0.000 1.142 103 T CB -0.315 68.675 68.868 0.202 0.000 0.861 103 T HN 0.597 nan 8.240 nan 0.000 0.456 104 Q N 0.472 120.291 119.800 0.031 0.000 2.124 104 Q HA -0.067 4.273 4.340 0.000 0.000 0.202 104 Q C 2.351 178.292 176.000 -0.098 0.000 0.977 104 Q CA 1.107 56.866 55.803 -0.074 0.000 0.850 104 Q CB -0.120 28.579 28.738 -0.066 0.000 0.901 104 Q HN 0.507 nan 8.270 nan 0.000 0.429 105 K N -0.194 120.178 120.400 -0.047 0.000 2.155 105 K HA -0.074 4.247 4.320 0.000 0.000 0.203 105 K C 1.736 178.250 176.600 -0.143 0.000 1.052 105 K CA 0.875 57.093 56.287 -0.116 0.000 0.948 105 K CB -0.044 32.370 32.500 -0.143 0.000 0.728 105 K HN 0.085 nan 8.250 nan 0.000 0.448 106 F N 1.482 121.390 119.950 -0.070 0.000 2.134 106 F HA -0.168 4.359 4.527 0.000 0.000 0.299 106 F C 2.669 178.346 175.800 -0.204 0.000 1.097 106 F CA 1.282 59.245 58.000 -0.062 0.000 1.264 106 F CB -0.086 38.972 39.000 0.097 0.000 1.001 106 F HN -0.001 nan 8.300 nan 0.000 0.479 107 R N 1.083 121.499 120.500 -0.139 0.000 2.073 107 R HA -0.168 4.172 4.340 0.000 0.000 0.234 107 R C 1.989 178.037 176.300 -0.420 0.000 1.134 107 R CA 1.716 57.557 56.100 -0.431 0.000 0.952 107 R CB -0.334 29.516 30.300 -0.749 0.000 0.850 107 R HN 0.179 nan 8.270 nan 0.000 0.433 108 K N 0.441 120.640 120.400 -0.334 0.000 2.147 108 K HA -0.083 4.238 4.320 0.000 0.000 0.205 108 K C 2.121 178.617 176.600 -0.173 0.000 1.049 108 K CA 1.297 57.427 56.287 -0.263 0.000 0.936 108 K CB -0.069 32.310 32.500 -0.201 0.000 0.722 108 K HN 0.262 nan 8.250 nan 0.000 0.446 109 L N 0.494 121.627 121.223 -0.150 0.000 2.109 109 L HA -0.116 4.224 4.340 0.000 0.000 0.207 109 L C 1.926 178.749 176.870 -0.078 0.000 1.086 109 L CA 0.901 55.679 54.840 -0.104 0.000 0.760 109 L CB -0.196 41.799 42.059 -0.106 0.000 0.910 109 L HN 0.151 nan 8.230 nan 0.000 0.437 110 L N -1.652 119.514 121.223 -0.095 0.000 2.591 110 L HA 0.047 4.388 4.340 0.000 0.000 0.228 110 L C 2.049 178.877 176.870 -0.070 0.000 1.133 110 L CA 0.069 54.867 54.840 -0.071 0.000 0.880 110 L CB 0.026 42.041 42.059 -0.074 0.000 1.033 110 L HN 0.099 nan 8.230 nan 0.000 0.450 111 S N -1.224 114.411 115.700 -0.108 0.000 2.483 111 S HA 0.088 4.558 4.470 0.000 0.000 0.221 111 S C 0.790 175.386 174.600 -0.006 0.000 1.030 111 S CA -0.088 58.087 58.200 -0.041 0.000 0.925 111 S CB 0.284 63.411 63.200 -0.122 0.000 0.795 111 S HN 0.230 nan 8.310 nan 0.000 0.511 112 K N 2.253 122.633 120.400 -0.034 0.000 2.511 112 K HA -0.001 4.320 4.320 0.000 0.000 0.280 112 K C 0.630 177.231 176.600 0.002 0.000 1.008 112 K CA 0.282 56.560 56.287 -0.015 0.000 1.050 112 K CB 0.341 32.823 32.500 -0.029 0.000 0.889 112 K HN 0.369 nan 8.250 nan 0.000 0.484 113 E N 2.209 122.416 120.200 0.013 0.000 2.208 113 E HA -0.069 4.281 4.350 0.000 0.000 0.193 113 E C -1.392 175.219 176.600 0.018 0.000 0.988 113 E CA 0.413 56.827 56.400 0.023 0.000 0.828 113 E CB -0.373 29.344 29.700 0.027 0.000 0.763 113 E HN 0.511 nan 8.360 nan 0.000 0.478 114 P HA 0.099 nan 4.420 nan 0.000 0.266 114 P C -0.831 176.475 177.300 0.011 0.000 1.586 114 P CA -0.243 62.864 63.100 0.011 0.000 1.088 114 P CB -0.167 31.537 31.700 0.007 0.000 1.584 115 N N 3.310 122.020 118.700 0.016 0.000 2.705 115 N HA -0.145 4.596 4.740 0.000 0.000 0.302 115 N C -1.760 173.758 175.510 0.013 0.000 1.168 115 N CA 0.129 53.190 53.050 0.017 0.000 0.760 115 N CB -0.357 38.140 38.487 0.017 0.000 0.986 115 N HN 0.347 nan 8.380 nan 0.000 0.568 116 P HA 0.160 nan 4.420 nan 0.000 0.271 116 P C -2.610 174.697 177.300 0.011 0.000 1.244 116 P CA -0.991 62.112 63.100 0.006 0.000 0.793 116 P CB -0.033 31.668 31.700 0.000 0.000 0.984 117 P HA 0.233 nan 4.420 nan 0.000 0.244 117 P C 0.861 178.184 177.300 0.037 0.000 1.769 117 P CA 0.012 63.124 63.100 0.020 0.000 1.102 117 P CB -0.291 31.417 31.700 0.013 0.000 1.937 118 I N 0.793 121.385 120.570 0.037 0.000 2.193 118 I HA -0.180 3.990 4.170 0.000 0.000 0.240 118 I C 1.649 177.801 176.117 0.058 0.000 1.084 118 I CA 1.390 62.718 61.300 0.046 0.000 1.365 118 I CB -0.365 37.657 38.000 0.037 0.000 1.064 118 I HN 0.105 nan 8.210 nan 0.000 0.410 119 D N 0.900 121.328 120.400 0.047 0.000 2.144 119 D HA -0.173 4.467 4.640 0.000 0.000 0.199 119 D C 2.097 178.432 176.300 0.059 0.000 0.984 119 D CA 1.040 55.069 54.000 0.048 0.000 0.834 119 D CB -0.055 40.766 40.800 0.036 0.000 0.955 119 D HN 0.331 nan 8.370 nan 0.000 0.465 120 E N -0.230 120.005 120.200 0.059 0.000 2.204 120 E HA -0.109 4.241 4.350 0.000 0.000 0.195 120 E C 1.982 178.648 176.600 0.109 0.000 0.990 120 E CA 0.562 57.002 56.400 0.067 0.000 0.821 120 E CB 0.246 29.976 29.700 0.049 0.000 0.750 120 E HN 0.210 nan 8.360 nan 0.000 0.477 121 V N 1.122 121.119 119.914 0.139 0.000 2.446 121 V HA -0.147 3.973 4.120 0.000 0.000 0.244 121 V C 2.166 178.365 176.094 0.176 0.000 1.039 121 V CA 1.018 63.454 62.300 0.227 0.000 1.045 121 V CB -0.211 31.772 31.823 0.266 0.000 0.681 121 V HN 0.222 nan 8.190 nan 0.000 0.459 122 I N 1.415 122.059 120.570 0.123 0.000 2.493 122 I HA -0.169 4.001 4.170 0.000 0.000 0.254 122 I C 2.472 178.636 176.117 0.077 0.000 1.160 122 I CA 1.636 62.993 61.300 0.095 0.000 1.445 122 I CB -0.314 37.729 38.000 0.072 0.000 1.086 122 I HN 0.469 nan 8.210 nan 0.000 0.433 123 S N -0.737 115.009 115.700 0.076 0.000 2.496 123 S HA -0.000 4.470 4.470 0.000 0.000 0.224 123 S C 1.015 175.654 174.600 0.065 0.000 0.996 123 S CA -0.061 58.174 58.200 0.059 0.000 0.927 123 S CB -0.726 62.505 63.200 0.050 0.000 0.774 123 S HN 0.269 nan 8.310 nan 0.000 0.524 124 T N 5.771 120.380 114.554 0.093 0.000 2.799 124 T HA 0.302 4.653 4.350 0.000 0.000 0.296 124 T C -2.606 172.149 174.700 0.092 0.000 0.947 124 T CA -1.039 61.126 62.100 0.108 0.000 1.141 124 T CB 0.743 69.712 68.868 0.168 0.000 0.891 124 T HN 0.309 nan 8.240 nan 0.000 0.533 125 P HA 0.182 nan 4.420 nan 0.000 0.267 125 P C 0.991 178.314 177.300 0.039 0.000 1.209 125 P CA 0.294 63.405 63.100 0.019 0.000 0.763 125 P CB 0.391 32.071 31.700 -0.033 0.000 0.816 126 G N 2.257 111.075 108.800 0.030 0.000 2.162 126 G HA2 -0.292 3.668 3.960 0.000 0.000 0.260 126 G HA3 -0.292 3.668 3.960 0.000 0.000 0.260 126 G C 0.755 175.757 174.900 0.169 0.000 0.976 126 G CA 0.171 45.305 45.100 0.057 0.000 0.655 126 G HN 0.403 nan 8.290 nan 0.000 0.533 127 V N -0.052 119.909 119.914 0.079 0.000 2.446 127 V HA -0.090 4.030 4.120 0.000 0.000 0.244 127 V C 2.814 178.673 176.094 -0.392 0.000 1.039 127 V CA 1.934 64.081 62.300 -0.255 0.000 1.045 127 V CB -0.058 31.636 31.823 -0.216 0.000 0.681 127 V HN 0.318 nan 8.190 nan 0.000 0.459 128 V N 0.572 120.443 119.914 -0.071 0.000 2.427 128 V HA -0.204 3.917 4.120 0.000 0.000 0.248 128 V C 2.669 178.765 176.094 0.003 0.000 1.051 128 V CA 1.914 64.264 62.300 0.084 0.000 1.048 128 V CB -1.054 30.828 31.823 0.098 0.000 0.666 128 V HN 0.540 nan 8.190 nan 0.000 0.456 129 A N 0.190 122.976 122.820 -0.056 0.000 2.015 129 A HA -0.196 4.124 4.320 0.000 0.000 0.219 129 A C 2.293 179.772 177.584 -0.176 0.000 1.163 129 A CA 1.790 53.780 52.037 -0.077 0.000 0.646 129 A CB -0.448 18.520 19.000 -0.054 0.000 0.806 129 A HN 0.454 nan 8.150 nan 0.000 0.448 130 R N -0.594 119.723 120.500 -0.305 0.000 2.075 130 R HA 0.002 4.342 4.340 0.000 0.000 0.232 130 R C 1.585 177.431 176.300 -0.758 0.000 1.126 130 R CA 1.664 57.406 56.100 -0.597 0.000 0.963 130 R CB -0.868 28.965 30.300 -0.778 0.000 0.858 130 R HN 0.522 nan 8.270 nan 0.000 0.435 131 F N -0.666 119.064 119.950 -0.367 0.000 2.171 131 F HA -0.171 4.356 4.527 0.000 0.000 0.300 131 F C 2.152 177.872 175.800 -0.133 0.000 1.090 131 F CA 0.819 58.713 58.000 -0.176 0.000 1.293 131 F CB -0.115 38.815 39.000 -0.116 0.000 1.013 131 F HN -0.134 nan 8.300 nan 0.000 0.486 132 V N -0.273 119.642 119.914 0.001 0.000 2.548 132 V HA -0.238 3.882 4.120 0.000 0.000 0.249 132 V C 2.183 178.224 176.094 -0.088 0.000 1.055 132 V CA 1.792 64.055 62.300 -0.063 0.000 1.065 132 V CB -0.495 31.290 31.823 -0.063 0.000 0.681 132 V HN 0.354 nan 8.190 nan 0.000 0.462 133 E N -0.101 120.006 120.200 -0.155 0.000 2.106 133 E HA -0.192 4.158 4.350 0.000 0.000 0.192 133 E C 2.085 178.664 176.600 -0.034 0.000 0.984 133 E CA 1.196 57.507 56.400 -0.147 0.000 0.806 133 E CB -0.054 29.492 29.700 -0.256 0.000 0.750 133 E HN 0.540 nan 8.360 nan 0.000 0.458 134 F N 0.963 120.907 119.950 -0.009 0.000 2.234 134 F HA -0.096 4.432 4.527 0.000 0.000 0.299 134 F C 2.131 177.944 175.800 0.021 0.000 1.087 134 F CA 0.671 58.679 58.000 0.014 0.000 1.340 134 F CB -0.599 38.428 39.000 0.045 0.000 1.031 134 F HN 0.056 nan 8.300 nan 0.000 0.500 135 L N -0.253 121.066 121.223 0.160 0.000 2.187 135 L HA -0.249 4.091 4.340 0.000 0.000 0.213 135 L C 2.080 178.988 176.870 0.063 0.000 1.100 135 L CA 1.410 56.286 54.840 0.059 0.000 0.765 135 L CB -0.653 41.327 42.059 -0.131 0.000 0.904 135 L HN 0.107 nan 8.230 nan 0.000 0.437 136 K N -0.247 120.188 120.400 0.059 0.000 2.432 136 K HA 0.007 4.328 4.320 0.000 0.000 0.196 136 K C 0.562 177.215 176.600 0.089 0.000 1.038 136 K CA 0.249 56.569 56.287 0.055 0.000 0.986 136 K CB 0.073 32.592 32.500 0.032 0.000 0.782 136 K HN 0.193 nan 8.250 nan 0.000 0.485 137 R N 1.969 122.546 120.500 0.128 0.000 2.612 137 R HA 0.082 4.422 4.340 0.000 0.000 0.273 137 R C 0.452 176.839 176.300 0.144 0.000 1.376 137 R CA 0.071 56.249 56.100 0.130 0.000 1.171 137 R CB 0.302 30.692 30.300 0.149 0.000 1.151 137 R HN 0.121 nan 8.270 nan 0.000 0.560 138 K N 1.015 121.498 120.400 0.138 0.000 2.362 138 K HA -0.083 4.238 4.320 0.000 0.000 0.200 138 K C 0.577 177.335 176.600 0.264 0.000 1.046 138 K CA 0.815 57.211 56.287 0.182 0.000 0.952 138 K CB 0.451 33.011 32.500 0.099 0.000 0.753 138 K HN 0.348 nan 8.250 nan 0.000 0.466 139 E N 0.857 121.169 120.200 0.187 0.000 2.465 139 E HA 0.010 4.360 4.350 0.000 0.000 0.191 139 E C -0.109 176.566 176.600 0.125 0.000 1.053 139 E CA 0.141 56.649 56.400 0.180 0.000 0.869 139 E CB -0.008 29.756 29.700 0.106 0.000 0.977 139 E HN 0.119 nan 8.360 nan 0.000 0.483 140 N N 0.791 119.544 118.700 0.088 0.000 2.640 140 N HA 0.006 4.746 4.740 0.000 0.000 0.262 140 N C 0.446 175.868 175.510 -0.147 0.000 1.174 140 N CA -0.233 52.788 53.050 -0.048 0.000 0.791 140 N CB 0.340 38.807 38.487 -0.033 0.000 1.279 140 N HN -0.090 nan 8.380 nan 0.000 0.535 141 C N 2.287 121.290 119.300 -0.495 0.000 2.413 141 C HA -0.120 4.340 4.460 0.000 0.000 0.276 141 C C 2.253 177.108 174.990 -0.224 0.000 1.236 141 C CA 2.097 60.675 59.018 -0.734 0.000 1.735 141 C CB -1.015 25.947 27.740 -1.297 0.000 2.031 141 C HN 0.769 nan 8.230 nan 0.000 0.474 142 T N 1.117 115.575 114.554 -0.160 0.000 2.746 142 T HA -0.171 4.179 4.350 0.000 0.000 0.267 142 T C 1.630 176.370 174.700 0.067 0.000 1.039 142 T CA 1.572 63.670 62.100 -0.003 0.000 1.142 142 T CB -0.508 68.343 68.868 -0.028 0.000 0.866 142 T HN 0.491 nan 8.240 nan 0.000 0.444 143 L N 0.959 122.166 121.223 -0.026 0.000 2.056 143 L HA -0.031 4.310 4.340 0.000 0.000 0.207 143 L C 2.605 179.486 176.870 0.018 0.000 1.078 143 L CA 1.669 56.465 54.840 -0.073 0.000 0.749 143 L CB -0.671 41.267 42.059 -0.203 0.000 0.901 143 L HN 0.214 nan 8.230 nan 0.000 0.433 144 Q N -1.691 118.157 119.800 0.080 0.000 2.124 144 Q HA -0.242 4.099 4.340 0.000 0.000 0.202 144 Q C 2.162 178.296 176.000 0.223 0.000 0.977 144 Q CA 1.967 57.869 55.803 0.164 0.000 0.850 144 Q CB -0.288 28.574 28.738 0.206 0.000 0.901 144 Q HN 0.555 nan 8.270 nan 0.000 0.429 145 F N 1.792 121.793 119.950 0.084 0.000 2.128 145 F HA -0.139 4.388 4.527 0.000 0.000 0.295 145 F C 2.058 177.957 175.800 0.165 0.000 1.100 145 F CA 1.200 59.271 58.000 0.117 0.000 1.260 145 F CB 0.033 39.083 39.000 0.084 0.000 1.009 145 F HN -0.055 nan 8.300 nan 0.000 0.476 146 E N 0.343 120.544 120.200 0.003 0.000 2.051 146 E HA -0.157 4.193 4.350 0.000 0.000 0.192 146 E C 2.415 178.936 176.600 -0.131 0.000 0.991 146 E CA 1.486 57.812 56.400 -0.123 0.000 0.799 146 E CB -0.724 28.951 29.700 -0.041 0.000 0.748 146 E HN 0.388 nan 8.360 nan 0.000 0.449 147 S N 1.280 116.970 115.700 -0.015 0.000 2.359 147 S HA -0.176 4.294 4.470 0.000 0.000 0.224 147 S C 2.161 176.757 174.600 -0.006 0.000 1.035 147 S CA 1.297 59.511 58.200 0.023 0.000 1.018 147 S CB -0.311 63.022 63.200 0.222 0.000 0.876 147 S HN 0.421 nan 8.310 nan 0.000 0.448 148 A N 1.243 124.113 122.820 0.083 0.000 1.902 148 A HA -0.152 4.168 4.320 0.000 0.000 0.217 148 A C 1.840 179.432 177.584 0.014 0.000 1.181 148 A CA 1.422 53.580 52.037 0.200 0.000 0.623 148 A CB -0.967 18.200 19.000 0.278 0.000 0.818 148 A HN 0.693 nan 8.150 nan 0.000 0.443 149 W N 1.030 122.084 121.300 -0.411 0.000 2.335 149 W HA -0.168 4.492 4.660 0.000 0.000 0.311 149 W C 2.060 178.334 176.519 -0.408 0.000 1.213 149 W CA 1.945 58.969 57.345 -0.534 0.000 1.274 149 W CB -0.875 28.150 29.460 -0.725 0.000 1.148 149 W HN 0.178 nan 8.180 nan 0.000 0.498 150 V N 1.201 121.015 119.914 -0.167 0.000 2.261 150 V HA -0.318 3.802 4.120 0.000 0.000 0.246 150 V C 2.525 178.482 176.094 -0.228 0.000 1.047 150 V CA 2.080 64.182 62.300 -0.330 0.000 1.015 150 V CB -1.179 30.204 31.823 -0.734 0.000 0.642 150 V HN 0.091 nan 8.190 nan 0.000 0.446 151 L N -0.404 120.728 121.223 -0.152 0.000 2.201 151 L HA -0.137 4.203 4.340 0.000 0.000 0.212 151 L C 2.574 179.460 176.870 0.026 0.000 1.105 151 L CA 1.489 56.333 54.840 0.006 0.000 0.775 151 L CB -0.887 41.296 42.059 0.207 0.000 0.913 151 L HN 0.369 nan 8.230 nan 0.000 0.440 152 T N -0.349 114.174 114.554 -0.053 0.000 2.708 152 T HA -0.140 4.210 4.350 0.000 0.000 0.266 152 T C 1.661 176.306 174.700 -0.092 0.000 1.037 152 T CA 1.603 63.614 62.100 -0.148 0.000 1.146 152 T CB -0.199 68.430 68.868 -0.397 0.000 0.865 152 T HN 0.310 nan 8.240 nan 0.000 0.435 153 N N 0.973 119.623 118.700 -0.082 0.000 2.216 153 N HA 0.114 4.854 4.740 0.000 0.000 0.183 153 N C 1.816 177.323 175.510 -0.004 0.000 1.017 153 N CA 0.605 53.635 53.050 -0.034 0.000 0.861 153 N CB -0.423 38.050 38.487 -0.023 0.000 0.986 153 N HN 0.380 nan 8.380 nan 0.000 0.428 154 I N 0.711 121.275 120.570 -0.011 0.000 2.286 154 I HA -0.231 3.939 4.170 0.000 0.000 0.248 154 I C 2.082 178.222 176.117 0.038 0.000 1.115 154 I CA 1.004 62.314 61.300 0.017 0.000 1.392 154 I CB -0.274 37.738 38.000 0.020 0.000 1.065 154 I HN 0.089 nan 8.210 nan 0.000 0.418 155 A N 0.436 123.282 122.820 0.043 0.000 2.015 155 A HA -0.080 4.240 4.320 0.000 0.000 0.219 155 A C 1.497 179.128 177.584 0.078 0.000 1.163 155 A CA 0.963 53.039 52.037 0.065 0.000 0.646 155 A CB -0.598 18.442 19.000 0.066 0.000 0.806 155 A HN 0.508 nan 8.150 nan 0.000 0.448 156 S N -1.252 114.494 115.700 0.078 0.000 2.580 156 S HA 0.553 5.023 4.470 0.000 0.000 0.274 156 S C 0.632 175.271 174.600 0.065 0.000 1.329 156 S CA 0.141 58.397 58.200 0.094 0.000 1.036 156 S CB 0.906 64.167 63.200 0.103 0.000 0.919 156 S HN 2.086 nan 8.310 nan 0.000 0.515 157 G N 2.432 111.269 108.800 0.063 0.000 2.416 157 G HA2 -0.145 3.815 3.960 0.000 0.000 0.203 157 G HA3 -0.145 3.815 3.960 0.000 0.000 0.203 157 G C -0.846 174.078 174.900 0.040 0.000 1.227 157 G CA -0.587 44.540 45.100 0.046 0.000 1.041 157 G HN 0.912 nan 8.290 nan 0.000 0.546 158 N N 0.383 119.102 118.700 0.032 0.000 2.344 158 N HA 0.337 5.077 4.740 0.000 0.000 0.236 158 N C 1.586 177.111 175.510 0.025 0.000 1.279 158 N CA 0.595 53.660 53.050 0.025 0.000 0.882 158 N CB 0.859 39.359 38.487 0.022 0.000 1.110 158 N HN 0.528 nan 8.380 nan 0.000 0.436 159 S N 0.219 115.929 115.700 0.018 0.000 2.383 159 S HA 0.003 4.473 4.470 0.000 0.000 0.227 159 S C 1.847 176.454 174.600 0.012 0.000 1.026 159 S CA 0.635 58.843 58.200 0.013 0.000 0.981 159 S CB -0.174 63.029 63.200 0.005 0.000 0.818 159 S HN 0.401 nan 8.310 nan 0.000 0.472 160 L N 1.073 122.303 121.223 0.012 0.000 2.046 160 L HA -0.186 4.154 4.340 0.000 0.000 0.208 160 L C 2.597 179.478 176.870 0.018 0.000 1.077 160 L CA 1.399 56.246 54.840 0.011 0.000 0.747 160 L CB -0.851 41.215 42.059 0.011 0.000 0.896 160 L HN 0.366 nan 8.230 nan 0.000 0.432 161 Q N -0.271 119.544 119.800 0.025 0.000 2.079 161 Q HA -0.127 4.213 4.340 0.000 0.000 0.200 161 Q C 2.113 178.136 176.000 0.038 0.000 0.974 161 Q CA 1.897 57.720 55.803 0.033 0.000 0.840 161 Q CB -0.207 28.552 28.738 0.035 0.000 0.898 161 Q HN 0.450 nan 8.270 nan 0.000 0.430 162 T N 0.572 115.149 114.554 0.037 0.000 3.051 162 T HA -0.042 4.308 4.350 0.000 0.000 0.269 162 T C 1.475 176.195 174.700 0.035 0.000 1.127 162 T CA 0.620 62.747 62.100 0.045 0.000 1.107 162 T CB -0.035 68.860 68.868 0.045 0.000 0.898 162 T HN 0.203 nan 8.240 nan 0.000 0.517 163 R N 0.433 120.943 120.500 0.018 0.000 2.075 163 R HA 0.090 4.430 4.340 0.000 0.000 0.232 163 R C 2.206 178.509 176.300 0.006 0.000 1.126 163 R CA 1.095 57.194 56.100 -0.001 0.000 0.963 163 R CB -0.401 29.894 30.300 -0.009 0.000 0.858 163 R HN 0.360 nan 8.270 nan 0.000 0.435 164 I N 0.154 120.737 120.570 0.021 0.000 2.286 164 I HA -0.239 3.932 4.170 0.000 0.000 0.248 164 I C 2.102 178.245 176.117 0.043 0.000 1.115 164 I CA 0.977 62.294 61.300 0.027 0.000 1.392 164 I CB -0.102 37.919 38.000 0.035 0.000 1.065 164 I HN -0.044 nan 8.210 nan 0.000 0.418 165 V N 0.747 120.699 119.914 0.063 0.000 2.427 165 V HA -0.254 3.866 4.120 0.000 0.000 0.248 165 V C 2.275 178.431 176.094 0.103 0.000 1.051 165 V CA 1.750 64.108 62.300 0.098 0.000 1.048 165 V CB -0.405 31.497 31.823 0.131 0.000 0.666 165 V HN 0.339 nan 8.190 nan 0.000 0.456 166 I N -0.367 120.249 120.570 0.077 0.000 2.163 166 I HA -0.268 3.902 4.170 0.000 0.000 0.240 166 I C 2.685 178.813 176.117 0.018 0.000 1.081 166 I CA 1.569 62.906 61.300 0.062 0.000 1.353 166 I CB -0.433 37.544 38.000 -0.039 0.000 1.054 166 I HN 0.338 nan 8.210 nan 0.000 0.407 167 Q N 0.588 120.380 119.800 -0.013 0.000 2.226 167 Q HA -0.158 4.182 4.340 0.000 0.000 0.204 167 Q C 2.293 178.297 176.000 0.006 0.000 0.975 167 Q CA 1.480 57.272 55.803 -0.019 0.000 0.866 167 Q CB -0.227 28.497 28.738 -0.024 0.000 0.915 167 Q HN 0.557 nan 8.270 nan 0.000 0.440 168 A N 0.314 123.146 122.820 0.021 0.000 2.121 168 A HA 0.119 4.439 4.320 0.000 0.000 0.218 168 A C 1.481 179.078 177.584 0.021 0.000 1.154 168 A CA 1.025 53.073 52.037 0.018 0.000 0.679 168 A CB -0.427 18.588 19.000 0.026 0.000 0.795 168 A HN 0.477 nan 8.150 nan 0.000 0.458 169 G N -2.381 106.448 108.800 0.049 0.000 2.165 169 G HA2 0.063 4.023 3.960 0.000 0.000 0.226 169 G HA3 0.063 4.023 3.960 0.000 0.000 0.226 169 G C 0.769 175.699 174.900 0.049 0.000 1.035 169 G CA 0.630 45.771 45.100 0.069 0.000 0.744 169 G HN 1.351 nan 8.290 nan 0.000 0.501 170 A N -1.065 121.793 122.820 0.062 0.000 2.081 170 A HA 0.520 4.840 4.320 0.000 0.000 0.214 170 A C 2.410 180.041 177.584 0.079 0.000 1.158 170 A CA 1.886 53.903 52.037 -0.033 0.000 0.724 170 A CB 0.009 19.009 19.000 -0.001 0.000 0.826 170 A HN 1.012 nan 8.150 nan 0.000 0.463 171 V N 0.954 121.011 119.914 0.238 0.000 2.223 171 V HA -0.155 3.965 4.120 0.000 0.000 0.244 171 V C -0.149 176.031 176.094 0.144 0.000 1.045 171 V CA 2.563 65.026 62.300 0.273 0.000 1.000 171 V CB -1.555 30.433 31.823 0.275 0.000 0.635 171 V HN 0.337 nan 8.190 nan 0.000 0.445 172 P HA -0.174 nan 4.420 nan 0.000 0.217 172 P C 1.747 179.063 177.300 0.027 0.000 1.151 172 P CA 1.736 64.848 63.100 0.020 0.000 0.849 172 P CB -0.072 31.637 31.700 0.015 0.000 0.787 173 I N -2.909 117.659 120.570 -0.004 0.000 2.353 173 I HA -0.193 3.977 4.170 0.000 0.000 0.248 173 I C 1.992 178.094 176.117 -0.024 0.000 1.119 173 I CA 1.034 62.302 61.300 -0.054 0.000 1.417 173 I CB -0.488 37.424 38.000 -0.147 0.000 1.078 173 I HN -0.168 nan 8.210 nan 0.000 0.421 174 F N 0.858 120.841 119.950 0.054 0.000 2.171 174 F HA -0.179 4.348 4.527 0.000 0.000 0.300 174 F C 2.314 178.140 175.800 0.044 0.000 1.090 174 F CA 1.382 59.418 58.000 0.059 0.000 1.293 174 F CB -0.613 38.426 39.000 0.065 0.000 1.013 174 F HN -0.035 nan 8.300 nan 0.000 0.486 175 I N -0.381 120.315 120.570 0.211 0.000 2.394 175 I HA -0.245 3.925 4.170 0.000 0.000 0.251 175 I C 2.133 178.298 176.117 0.081 0.000 1.136 175 I CA 1.202 62.569 61.300 0.112 0.000 1.425 175 I CB -0.446 37.587 38.000 0.055 0.000 1.079 175 I HN 0.172 nan 8.210 nan 0.000 0.425 176 E N 0.812 121.054 120.200 0.070 0.000 2.077 176 E HA -0.195 4.156 4.350 0.000 0.000 0.193 176 E C 2.231 178.870 176.600 0.066 0.000 0.989 176 E CA 1.100 57.529 56.400 0.050 0.000 0.800 176 E CB -0.104 29.615 29.700 0.032 0.000 0.746 176 E HN 0.491 nan 8.360 nan 0.000 0.452 177 L N 0.888 122.176 121.223 0.108 0.000 2.362 177 L HA -0.110 4.230 4.340 0.000 0.000 0.219 177 L C 2.184 179.127 176.870 0.122 0.000 1.134 177 L CA 0.297 55.218 54.840 0.135 0.000 0.807 177 L CB -0.238 41.951 42.059 0.217 0.000 0.927 177 L HN 0.200 nan 8.230 nan 0.000 0.447 178 L N -0.920 120.366 121.223 0.106 0.000 2.265 178 L HA -0.156 4.184 4.340 0.000 0.000 0.215 178 L C 1.550 178.442 176.870 0.036 0.000 1.117 178 L CA 0.835 55.715 54.840 0.067 0.000 0.782 178 L CB -0.241 41.849 42.059 0.052 0.000 0.914 178 L HN 0.161 nan 8.230 nan 0.000 0.441 179 S N -1.060 114.657 115.700 0.029 0.000 2.537 179 S HA 0.090 4.560 4.470 0.000 0.000 0.246 179 S C 0.527 175.114 174.600 -0.022 0.000 1.036 179 S CA -0.241 57.960 58.200 0.002 0.000 1.041 179 S CB 0.277 63.478 63.200 0.001 0.000 0.799 179 S HN 0.293 nan 8.310 nan 0.000 0.456 180 S N 1.206 116.898 115.700 -0.014 0.000 2.603 180 S HA 0.177 4.647 4.470 0.000 0.000 0.268 180 S C 1.054 175.549 174.600 -0.174 0.000 1.317 180 S CA -0.382 57.772 58.200 -0.076 0.000 1.012 180 S CB 0.678 63.890 63.200 0.020 0.000 0.926 180 S HN 0.454 nan 8.310 nan 0.000 0.539 181 E N 1.238 121.183 120.200 -0.424 0.000 2.435 181 E HA 0.063 4.413 4.350 0.000 0.000 0.195 181 E C -0.653 175.675 176.600 -0.453 0.000 1.029 181 E CA 0.373 56.481 56.400 -0.487 0.000 0.865 181 E CB 0.105 29.441 29.700 -0.605 0.000 0.833 181 E HN 0.609 nan 8.360 nan 0.000 0.510 182 F N 0.742 120.709 119.950 0.027 0.000 2.427 182 F HA 0.229 4.756 4.527 0.000 0.000 0.346 182 F C 1.325 177.136 175.800 0.018 0.000 1.120 182 F CA -0.906 57.104 58.000 0.017 0.000 1.033 182 F CB 1.292 40.306 39.000 0.024 0.000 1.126 182 F HN -0.203 nan 8.300 nan 0.000 0.462 183 E N 1.163 121.459 120.200 0.161 0.000 2.031 183 E HA -0.198 4.152 4.350 0.000 0.000 0.193 183 E C 1.129 177.781 176.600 0.087 0.000 0.994 183 E CA 1.599 58.050 56.400 0.085 0.000 0.800 183 E CB -0.035 29.691 29.700 0.043 0.000 0.752 183 E HN 0.642 nan 8.360 nan 0.000 0.447 184 D N 0.403 120.829 120.400 0.043 0.000 2.149 184 D HA -0.160 4.480 4.640 0.000 0.000 0.194 184 D C 2.045 178.461 176.300 0.193 0.000 1.001 184 D CA 1.008 54.988 54.000 -0.032 0.000 0.849 184 D CB -0.279 40.302 40.800 -0.366 0.000 0.939 184 D HN 0.042 nan 8.370 nan 0.000 0.449 185 V N 0.585 120.653 119.914 0.255 0.000 2.323 185 V HA -0.215 3.905 4.120 0.000 0.000 0.244 185 V C 2.517 178.764 176.094 0.255 0.000 1.041 185 V CA 1.403 63.899 62.300 0.327 0.000 1.025 185 V CB -0.553 31.496 31.823 0.376 0.000 0.656 185 V HN 0.182 nan 8.190 nan 0.000 0.451 186 Q N -0.158 119.755 119.800 0.189 0.000 2.077 186 Q HA -0.320 4.020 4.340 0.000 0.000 0.206 186 Q C 2.358 178.432 176.000 0.124 0.000 0.989 186 Q CA 2.338 58.219 55.803 0.130 0.000 0.853 186 Q CB -0.187 28.596 28.738 0.074 0.000 0.907 186 Q HN 0.743 nan 8.270 nan 0.000 0.418 187 E N 0.077 120.356 120.200 0.131 0.000 2.152 187 E HA -0.216 4.134 4.350 0.000 0.000 0.192 187 E C 1.922 178.641 176.600 0.198 0.000 0.983 187 E CA 0.789 57.268 56.400 0.133 0.000 0.818 187 E CB 0.190 29.958 29.700 0.114 0.000 0.758 187 E HN 0.124 nan 8.360 nan 0.000 0.467 188 Q N -0.057 119.873 119.800 0.217 0.000 2.331 188 Q HA 0.098 4.438 4.340 0.000 0.000 0.203 188 Q C 1.621 177.660 176.000 0.065 0.000 0.944 188 Q CA 1.108 57.004 55.803 0.155 0.000 0.892 188 Q CB -0.029 28.777 28.738 0.114 0.000 0.983 188 Q HN 0.325 nan 8.270 nan 0.000 0.482 189 A N -0.629 122.263 122.820 0.120 0.000 1.898 189 A HA -0.115 4.205 4.320 0.000 0.000 0.216 189 A C 2.192 179.729 177.584 -0.078 0.000 1.181 189 A CA 1.515 53.575 52.037 0.038 0.000 0.620 189 A CB -0.878 18.288 19.000 0.276 0.000 0.819 189 A HN 0.254 nan 8.150 nan 0.000 0.442 190 V N -1.412 118.537 119.914 0.058 0.000 2.287 190 V HA -0.243 3.877 4.120 0.000 0.000 0.248 190 V C 2.263 178.462 176.094 0.176 0.000 1.053 190 V CA 2.002 64.349 62.300 0.079 0.000 1.027 190 V CB -0.698 31.174 31.823 0.081 0.000 0.646 190 V HN 0.859 nan 8.190 nan 0.000 0.447 191 W N 0.842 122.158 121.300 0.028 0.000 2.358 191 W HA -0.202 4.459 4.660 0.000 0.000 0.303 191 W C 2.504 179.043 176.519 0.034 0.000 1.208 191 W CA 2.168 59.588 57.345 0.126 0.000 1.274 191 W CB -0.883 28.564 29.460 -0.022 0.000 1.138 191 W HN 0.293 nan 8.180 nan 0.000 0.515 192 A N 0.529 123.358 122.820 0.015 0.000 1.865 192 A HA -0.214 4.107 4.320 0.000 0.000 0.217 192 A C 2.286 179.761 177.584 -0.182 0.000 1.191 192 A CA 2.150 54.006 52.037 -0.302 0.000 0.623 192 A CB -1.195 17.119 19.000 -1.142 0.000 0.826 192 A HN 0.301 nan 8.150 nan 0.000 0.444 193 L N -0.580 120.515 121.223 -0.213 0.000 2.141 193 L HA -0.084 4.256 4.340 0.000 0.000 0.209 193 L C 2.794 179.631 176.870 -0.055 0.000 1.094 193 L CA 0.895 55.682 54.840 -0.088 0.000 0.763 193 L CB -0.688 41.337 42.059 -0.056 0.000 0.908 193 L HN 0.494 nan 8.230 nan 0.000 0.437 194 G N -0.139 108.639 108.800 -0.036 0.000 2.440 194 G HA2 -0.284 3.677 3.960 0.000 0.000 0.218 194 G HA3 -0.284 3.677 3.960 0.000 0.000 0.218 194 G C 1.420 176.208 174.900 -0.186 0.000 1.154 194 G CA 0.825 45.743 45.100 -0.303 0.000 0.767 194 G HN 0.309 nan 8.290 nan 0.000 0.552 195 N N 0.623 119.431 118.700 0.180 0.000 2.106 195 N HA -0.020 4.720 4.740 0.000 0.000 0.188 195 N C 2.259 177.815 175.510 0.077 0.000 1.029 195 N CA 0.775 53.953 53.050 0.213 0.000 0.848 195 N CB -0.299 38.351 38.487 0.271 0.000 1.007 195 N HN 0.368 nan 8.380 nan 0.000 0.423 196 I N 0.825 121.426 120.570 0.051 0.000 2.226 196 I HA -0.210 3.960 4.170 0.000 0.000 0.245 196 I C 2.197 178.327 176.117 0.021 0.000 1.100 196 I CA 0.993 62.326 61.300 0.054 0.000 1.374 196 I CB -0.323 37.733 38.000 0.092 0.000 1.057 196 I HN 0.056 nan 8.210 nan 0.000 0.413 197 A N 0.831 123.633 122.820 -0.030 0.000 1.972 197 A HA -0.108 4.213 4.320 0.000 0.000 0.219 197 A C 2.323 179.846 177.584 -0.102 0.000 1.169 197 A CA 1.801 53.794 52.037 -0.073 0.000 0.635 197 A CB -1.210 17.709 19.000 -0.136 0.000 0.810 197 A HN 0.485 nan 8.150 nan 0.000 0.446 198 G N -0.978 107.756 108.800 -0.110 0.000 2.813 198 G HA2 -0.026 3.934 3.960 0.000 0.000 0.209 198 G HA3 -0.026 3.934 3.960 0.000 0.000 0.209 198 G C 1.057 175.933 174.900 -0.040 0.000 1.150 198 G CA 1.018 46.058 45.100 -0.100 0.000 0.785 198 G HN 0.525 nan 8.290 nan 0.000 0.535 199 D N 0.418 120.809 120.400 -0.014 0.000 2.123 199 D HA 0.004 4.644 4.640 0.000 0.000 0.200 199 D C 1.485 177.776 176.300 -0.015 0.000 0.976 199 D CA 1.433 55.433 54.000 0.001 0.000 0.831 199 D CB 0.215 41.025 40.800 0.016 0.000 0.974 199 D HN 0.383 nan 8.370 nan 0.000 0.469 200 S N -4.035 111.651 115.700 -0.023 0.000 2.655 200 S HA 0.209 4.679 4.470 0.000 0.000 0.266 200 S C 0.720 175.300 174.600 -0.033 0.000 1.149 200 S CA -0.219 57.964 58.200 -0.029 0.000 0.818 200 S CB 0.698 63.887 63.200 -0.017 0.000 1.130 200 S HN -0.141 nan 8.310 nan 0.000 0.476 201 T N 1.106 115.640 114.554 -0.033 0.000 2.699 201 T HA -0.124 4.226 4.350 0.000 0.000 0.268 201 T C 1.715 176.411 174.700 -0.005 0.000 1.036 201 T CA 2.672 64.755 62.100 -0.027 0.000 1.147 201 T CB -0.717 68.137 68.868 -0.023 0.000 0.862 201 T HN 0.553 nan 8.240 nan 0.000 0.446 202 M N -0.114 119.486 119.600 0.001 0.000 2.288 202 M HA 0.085 4.565 4.480 0.000 0.000 0.266 202 M C 2.544 178.871 176.300 0.044 0.000 1.072 202 M CA 0.909 56.218 55.300 0.016 0.000 1.132 202 M CB -0.529 32.070 32.600 -0.002 0.000 1.386 202 M HN 0.273 nan 8.290 nan 0.000 0.432 203 C N -0.186 119.135 119.300 0.035 0.000 2.457 203 C HA -0.008 4.452 4.460 0.000 0.000 0.278 203 C C 2.816 177.861 174.990 0.093 0.000 1.309 203 C CA 0.544 59.608 59.018 0.076 0.000 1.735 203 C CB -0.905 26.862 27.740 0.045 0.000 1.992 203 C HN 0.562 nan 8.230 nan 0.000 0.493 204 R N 1.242 121.760 120.500 0.029 0.000 2.073 204 R HA -0.154 4.186 4.340 0.000 0.000 0.234 204 R C 1.567 177.877 176.300 0.017 0.000 1.134 204 R CA 2.007 58.105 56.100 -0.005 0.000 0.952 204 R CB -0.421 29.851 30.300 -0.047 0.000 0.850 204 R HN 0.452 nan 8.270 nan 0.000 0.433 205 D N -0.511 119.913 120.400 0.040 0.000 2.123 205 D HA -0.167 4.473 4.640 0.000 0.000 0.200 205 D C 1.634 177.981 176.300 0.080 0.000 0.976 205 D CA 0.976 55.003 54.000 0.046 0.000 0.831 205 D CB -0.470 40.358 40.800 0.046 0.000 0.974 205 D HN 0.256 nan 8.370 nan 0.000 0.469 206 Y N 1.900 122.198 120.300 -0.004 0.000 2.114 206 Y HA -0.266 4.284 4.550 0.000 0.000 0.282 206 Y C 2.189 178.094 175.900 0.009 0.000 1.165 206 Y CA 1.254 59.357 58.100 0.005 0.000 1.148 206 Y CB -0.509 37.957 38.460 0.010 0.000 0.972 206 Y HN -0.206 nan 8.280 nan 0.000 0.504 207 V N 0.503 120.402 119.914 -0.026 0.000 2.332 207 V HA -0.340 3.780 4.120 0.000 0.000 0.248 207 V C 2.554 178.577 176.094 -0.119 0.000 1.055 207 V CA 2.106 64.338 62.300 -0.114 0.000 1.038 207 V CB -0.837 30.979 31.823 -0.011 0.000 0.651 207 V HN 0.469 nan 8.190 nan 0.000 0.450 208 L N -0.197 120.986 121.223 -0.068 0.000 2.083 208 L HA -0.178 4.162 4.340 0.000 0.000 0.209 208 L C 2.191 179.018 176.870 -0.071 0.000 1.083 208 L CA 1.499 56.304 54.840 -0.058 0.000 0.752 208 L CB -0.616 41.422 42.059 -0.035 0.000 0.899 208 L HN 0.372 nan 8.230 nan 0.000 0.433 209 D N -1.056 119.294 120.400 -0.083 0.000 2.371 209 D HA -0.080 4.560 4.640 0.000 0.000 0.221 209 D C 1.519 177.732 176.300 -0.145 0.000 0.986 209 D CA 0.730 54.681 54.000 -0.082 0.000 0.899 209 D CB -0.010 40.771 40.800 -0.032 0.000 0.902 209 D HN 0.381 nan 8.370 nan 0.000 0.530 210 C N 1.407 120.568 119.300 -0.232 0.000 2.614 210 C HA 0.115 4.576 4.460 0.000 0.000 0.299 210 C C 0.494 175.415 174.990 -0.115 0.000 1.293 210 C CA -0.800 58.086 59.018 -0.221 0.000 1.713 210 C CB -1.588 25.939 27.740 -0.353 0.000 1.890 210 C HN 0.313 nan 8.230 nan 0.000 0.602 211 N N 0.707 119.357 118.700 -0.083 0.000 2.714 211 N HA -0.200 4.540 4.740 0.000 0.000 0.253 211 N C 0.537 176.027 175.510 -0.034 0.000 1.024 211 N CA 0.686 53.708 53.050 -0.047 0.000 0.726 211 N CB -1.257 37.211 38.487 -0.032 0.000 0.908 211 N HN 0.657 nan 8.380 nan 0.000 0.542 212 I N -0.604 119.943 120.570 -0.039 0.000 2.361 212 I HA -0.226 3.944 4.170 0.000 0.000 0.251 212 I C 2.051 178.167 176.117 -0.001 0.000 1.133 212 I CA 1.001 62.291 61.300 -0.017 0.000 1.413 212 I CB 0.131 38.117 38.000 -0.023 0.000 1.073 212 I HN 0.257 nan 8.210 nan 0.000 0.424 213 L N 1.754 122.973 121.223 -0.006 0.000 2.005 213 L HA -0.026 4.314 4.340 0.000 0.000 0.207 213 L C -0.613 176.274 176.870 0.029 0.000 1.072 213 L CA 2.151 56.996 54.840 0.009 0.000 0.744 213 L CB -1.779 40.275 42.059 -0.008 0.000 0.895 213 L HN 0.085 nan 8.230 nan 0.000 0.433 214 P HA -0.153 nan 4.420 nan 0.000 0.215 214 P C -1.383 175.941 177.300 0.041 0.000 1.163 214 P CA 2.316 65.434 63.100 0.031 0.000 0.894 214 P CB -1.366 30.344 31.700 0.018 0.000 0.791 215 P HA -0.104 nan 4.420 nan 0.000 0.219 215 P C 1.687 179.005 177.300 0.030 0.000 1.150 215 P CA 0.973 64.091 63.100 0.029 0.000 0.814 215 P CB -0.335 31.379 31.700 0.024 0.000 0.787 216 L N -0.473 120.771 121.223 0.035 0.000 2.093 216 L HA -0.062 4.278 4.340 0.000 0.000 0.208 216 L C 2.410 179.326 176.870 0.076 0.000 1.085 216 L CA 1.611 56.467 54.840 0.027 0.000 0.755 216 L CB -1.288 40.797 42.059 0.044 0.000 0.904 216 L HN -0.180 nan 8.230 nan 0.000 0.435 217 L N -1.199 120.123 121.223 0.165 0.000 2.217 217 L HA -0.124 4.216 4.340 0.000 0.000 0.211 217 L C 2.432 179.472 176.870 0.283 0.000 1.107 217 L CA 0.609 55.642 54.840 0.321 0.000 0.783 217 L CB -0.393 41.793 42.059 0.211 0.000 0.919 217 L HN 0.338 nan 8.230 nan 0.000 0.442 218 Q N 0.456 120.342 119.800 0.142 0.000 2.224 218 Q HA -0.131 4.209 4.340 0.000 0.000 0.203 218 Q C 2.143 178.185 176.000 0.069 0.000 0.970 218 Q CA 1.242 57.109 55.803 0.106 0.000 0.865 218 Q CB -0.142 28.631 28.738 0.059 0.000 0.922 218 Q HN 0.456 nan 8.270 nan 0.000 0.445 219 L N -0.970 120.241 121.223 -0.021 0.000 2.012 219 L HA -0.199 4.141 4.340 0.000 0.000 0.210 219 L C 1.867 178.686 176.870 -0.085 0.000 1.073 219 L CA 1.448 56.208 54.840 -0.133 0.000 0.748 219 L CB -0.569 41.296 42.059 -0.323 0.000 0.891 219 L HN 0.269 nan 8.230 nan 0.000 0.431 220 F N -0.917 119.123 119.950 0.151 0.000 2.333 220 F HA -0.196 4.331 4.527 0.000 0.000 0.300 220 F C 2.724 178.701 175.800 0.294 0.000 1.083 220 F CA 1.119 59.284 58.000 0.274 0.000 1.395 220 F CB -0.474 38.722 39.000 0.327 0.000 1.056 220 F HN 0.022 nan 8.300 nan 0.000 0.529 221 S N 0.179 116.070 115.700 0.318 0.000 2.595 221 S HA -0.055 4.415 4.470 0.000 0.000 0.235 221 S C 0.456 175.107 174.600 0.085 0.000 0.974 221 S CA 0.037 58.339 58.200 0.170 0.000 0.942 221 S CB -0.782 62.492 63.200 0.122 0.000 0.766 221 S HN 0.414 nan 8.310 nan 0.000 0.536 222 K N -0.155 120.304 120.400 0.098 0.000 2.512 222 K HA 0.350 4.670 4.320 0.000 0.000 0.263 222 K C -1.176 175.466 176.600 0.071 0.000 0.966 222 K CA -0.983 55.336 56.287 0.053 0.000 0.851 222 K CB 0.725 33.245 32.500 0.033 0.000 1.395 222 K HN -0.115 nan 8.250 nan 0.000 0.440 223 Q N 1.912 121.739 119.800 0.045 0.000 2.388 223 Q HA 0.091 4.432 4.340 0.000 0.000 0.246 223 Q C -0.670 175.361 176.000 0.051 0.000 1.246 223 Q CA 0.063 55.899 55.803 0.054 0.000 0.895 223 Q CB 0.157 28.914 28.738 0.032 0.000 1.510 223 Q HN 0.328 nan 8.270 nan 0.000 0.503 224 N N 1.966 120.706 118.700 0.067 0.000 2.476 224 N HA 0.207 4.947 4.740 0.000 0.000 0.275 224 N C -0.102 175.437 175.510 0.049 0.000 1.190 224 N CA -0.409 52.668 53.050 0.045 0.000 0.977 224 N CB 0.971 39.474 38.487 0.027 0.000 1.200 224 N HN 0.481 nan 8.380 nan 0.000 0.515 225 R N 0.095 120.614 120.500 0.032 0.000 2.827 225 R HA 0.050 4.390 4.340 0.000 0.000 0.269 225 R C 1.114 177.437 176.300 0.038 0.000 1.048 225 R CA -0.514 55.604 56.100 0.031 0.000 1.173 225 R CB 0.198 30.508 30.300 0.017 0.000 1.070 225 R HN 0.383 nan 8.270 nan 0.000 0.498 226 L N 1.228 122.473 121.223 0.036 0.000 2.131 226 L HA -0.162 4.179 4.340 0.000 0.000 0.210 226 L C 2.348 179.230 176.870 0.021 0.000 1.092 226 L CA 2.599 57.463 54.840 0.040 0.000 0.759 226 L CB -0.711 41.368 42.059 0.034 0.000 0.903 226 L HN 1.045 nan 8.230 nan 0.000 0.435 227 T N -3.799 110.757 114.554 0.004 0.000 2.867 227 T HA -0.245 4.105 4.350 0.000 0.000 0.268 227 T C 1.812 176.500 174.700 -0.020 0.000 1.057 227 T CA 1.357 63.445 62.100 -0.020 0.000 1.136 227 T CB -0.493 68.366 68.868 -0.015 0.000 0.874 227 T HN 0.298 nan 8.240 nan 0.000 0.466 228 M N 2.352 121.950 119.600 -0.002 0.000 2.067 228 M HA -0.020 4.460 4.480 0.000 0.000 0.260 228 M C 2.210 178.491 176.300 -0.031 0.000 1.069 228 M CA 1.926 57.217 55.300 -0.014 0.000 1.117 228 M CB -1.323 31.267 32.600 -0.017 0.000 1.334 228 M HN 0.206 nan 8.290 nan 0.000 0.407 229 T N 0.752 115.315 114.554 0.014 0.000 2.720 229 T HA -0.139 4.211 4.350 0.000 0.000 0.268 229 T C 1.907 176.684 174.700 0.128 0.000 1.037 229 T CA 1.797 63.954 62.100 0.095 0.000 1.144 229 T CB -0.310 68.659 68.868 0.168 0.000 0.864 229 T HN 0.455 nan 8.240 nan 0.000 0.444 230 R N 1.013 121.549 120.500 0.060 0.000 2.075 230 R HA 0.016 4.356 4.340 0.000 0.000 0.232 230 R C 2.466 178.790 176.300 0.041 0.000 1.126 230 R CA 1.134 57.256 56.100 0.037 0.000 0.963 230 R CB -0.238 30.037 30.300 -0.042 0.000 0.858 230 R HN 0.349 nan 8.270 nan 0.000 0.435 231 N N 0.591 119.281 118.700 -0.016 0.000 2.188 231 N HA -0.099 4.641 4.740 0.000 0.000 0.184 231 N C 1.629 177.225 175.510 0.143 0.000 1.018 231 N CA 1.329 54.384 53.050 0.009 0.000 0.858 231 N CB -0.035 38.428 38.487 -0.041 0.000 0.989 231 N HN 0.217 nan 8.380 nan 0.000 0.426 232 A N 0.696 123.554 122.820 0.063 0.000 1.897 232 A HA -0.033 4.287 4.320 0.000 0.000 0.215 232 A C 2.426 180.168 177.584 0.263 0.000 1.181 232 A CA 1.047 53.099 52.037 0.025 0.000 0.620 232 A CB -0.520 18.223 19.000 -0.429 0.000 0.821 232 A HN 0.105 nan 8.150 nan 0.000 0.443 233 V N -2.173 117.951 119.914 0.350 0.000 2.453 233 V HA -0.219 3.901 4.120 0.000 0.000 0.247 233 V C 2.192 178.397 176.094 0.184 0.000 1.048 233 V CA 1.518 63.982 62.300 0.273 0.000 1.049 233 V CB -1.245 30.679 31.823 0.168 0.000 0.672 233 V HN 0.840 nan 8.190 nan 0.000 0.457 234 W N 1.706 123.014 121.300 0.013 0.000 2.355 234 W HA -0.177 4.484 4.660 0.000 0.000 0.309 234 W C 2.473 178.979 176.519 -0.022 0.000 1.206 234 W CA 2.179 59.503 57.345 -0.034 0.000 1.284 234 W CB -0.435 28.946 29.460 -0.131 0.000 1.145 234 W HN 0.183 nan 8.180 nan 0.000 0.502 235 A N 0.303 123.008 122.820 -0.191 0.000 1.902 235 A HA -0.203 4.117 4.320 0.000 0.000 0.217 235 A C 1.988 179.416 177.584 -0.259 0.000 1.181 235 A CA 1.857 53.657 52.037 -0.394 0.000 0.623 235 A CB -1.285 17.643 19.000 -0.119 0.000 0.818 235 A HN 0.407 nan 8.150 nan 0.000 0.443 236 L N 0.907 122.084 121.223 -0.076 0.000 2.013 236 L HA -0.217 4.123 4.340 0.000 0.000 0.212 236 L C 2.938 179.776 176.870 -0.055 0.000 1.073 236 L CA 2.849 57.674 54.840 -0.026 0.000 0.753 236 L CB -0.699 41.393 42.059 0.055 0.000 0.890 236 L HN 0.574 nan 8.230 nan 0.000 0.432 237 S N -1.232 114.440 115.700 -0.047 0.000 2.382 237 S HA -0.198 4.272 4.470 0.000 0.000 0.228 237 S C 1.918 176.471 174.600 -0.078 0.000 1.027 237 S CA 1.387 59.617 58.200 0.051 0.000 0.991 237 S CB -0.764 62.514 63.200 0.130 0.000 0.823 237 S HN 0.530 nan 8.310 nan 0.000 0.469 238 N N 1.646 120.160 118.700 -0.310 0.000 2.309 238 N HA 0.162 4.902 4.740 0.000 0.000 0.182 238 N C 1.598 176.954 175.510 -0.257 0.000 1.018 238 N CA 0.924 53.752 53.050 -0.370 0.000 0.876 238 N CB -0.575 37.566 38.487 -0.577 0.000 0.972 238 N HN 0.471 nan 8.380 nan 0.000 0.434 239 L N -0.579 120.530 121.223 -0.191 0.000 2.093 239 L HA -0.099 4.241 4.340 0.000 0.000 0.208 239 L C 1.771 178.583 176.870 -0.097 0.000 1.085 239 L CA 0.699 55.465 54.840 -0.124 0.000 0.755 239 L CB -0.212 41.793 42.059 -0.089 0.000 0.904 239 L HN 0.175 nan 8.230 nan 0.000 0.435 240 C N -1.015 118.243 119.300 -0.069 0.000 2.562 240 C HA 0.062 4.522 4.460 0.000 0.000 0.266 240 C C 1.647 176.566 174.990 -0.118 0.000 1.382 240 C CA -0.512 58.504 59.018 -0.004 0.000 1.742 240 C CB -1.181 26.642 27.740 0.139 0.000 1.812 240 C HN 0.287 nan 8.230 nan 0.000 0.559 241 R N 0.817 121.105 120.500 -0.353 0.000 2.528 241 R HA 0.515 4.855 4.340 0.000 0.000 0.271 241 R C 0.073 176.134 176.300 -0.398 0.000 1.056 241 R CA 1.004 56.655 56.100 -0.750 0.000 1.117 241 R CB 0.430 30.271 30.300 -0.765 0.000 1.085 241 R HN 0.396 nan 8.270 nan 0.000 0.530 242 G N 1.953 110.529 108.800 -0.373 0.000 3.067 242 G HA2 -0.151 3.809 3.960 0.000 0.000 0.686 242 G HA3 -0.151 3.809 3.960 0.000 0.000 0.686 242 G C -0.374 174.472 174.900 -0.090 0.000 1.119 242 G CA -0.169 44.823 45.100 -0.180 0.000 0.790 242 G HN 0.669 nan 8.290 nan 0.000 0.605 243 K N -0.510 119.860 120.400 -0.050 0.000 2.391 243 K HA 0.382 4.703 4.320 0.000 0.000 0.197 243 K C 0.735 177.331 176.600 -0.007 0.000 1.087 243 K CA 0.658 56.938 56.287 -0.011 0.000 1.012 243 K CB 0.376 32.880 32.500 0.006 0.000 0.925 243 K HN 0.435 nan 8.250 nan 0.000 0.547 244 S N 2.771 118.462 115.700 -0.016 0.000 2.279 244 S HA 0.315 4.785 4.470 0.000 0.000 0.176 244 S C -2.590 172.004 174.600 -0.010 0.000 1.554 244 S CA -1.051 57.144 58.200 -0.009 0.000 1.242 244 S CB 1.439 64.634 63.200 -0.008 0.000 1.163 244 S HN 0.151 nan 8.310 nan 0.000 0.449 245 P HA 0.653 nan 4.420 nan 0.000 0.283 245 P C -2.991 174.309 177.300 -0.001 0.000 1.271 245 P CA -2.007 61.093 63.100 0.001 0.000 0.841 245 P CB 0.097 31.802 31.700 0.007 0.000 1.122 246 P HA 0.288 nan 4.420 nan 0.000 0.276 246 P C -2.424 174.894 177.300 0.030 0.000 1.261 246 P CA -1.760 61.351 63.100 0.019 0.000 0.800 246 P CB -1.161 30.566 31.700 0.045 0.000 1.066 247 P HA 0.072 nan 4.420 nan 0.000 0.271 247 P C -0.156 177.189 177.300 0.075 0.000 1.218 247 P CA -0.056 63.065 63.100 0.034 0.000 0.780 247 P CB 0.327 32.035 31.700 0.014 0.000 0.901 248 E N 1.868 122.104 120.200 0.060 0.000 2.558 248 E HA -0.120 4.230 4.350 0.000 0.000 0.255 248 E C 0.098 176.767 176.600 0.115 0.000 0.968 248 E CA -0.182 56.269 56.400 0.085 0.000 0.939 248 E CB -0.065 29.667 29.700 0.053 0.000 0.921 248 E HN 0.338 nan 8.360 nan 0.000 0.477 249 F N 4.918 124.872 119.950 0.006 0.000 2.234 249 F HA -0.041 4.486 4.527 0.000 0.000 0.299 249 F C 2.017 177.822 175.800 0.008 0.000 1.087 249 F CA 1.544 59.549 58.000 0.008 0.000 1.340 249 F CB -0.264 38.742 39.000 0.010 0.000 1.031 249 F HN 0.671 nan 8.300 nan 0.000 0.500 250 A N -0.110 122.734 122.820 0.040 0.000 2.070 250 A HA -0.190 4.131 4.320 0.000 0.000 0.220 250 A C 2.162 179.689 177.584 -0.095 0.000 1.159 250 A CA 1.551 53.563 52.037 -0.041 0.000 0.656 250 A CB -0.602 18.414 19.000 0.026 0.000 0.800 250 A HN 0.451 nan 8.150 nan 0.000 0.453 251 K N -0.996 119.356 120.400 -0.079 0.000 2.365 251 K HA 0.146 4.466 4.320 0.000 0.000 0.197 251 K C 0.958 177.493 176.600 -0.109 0.000 1.042 251 K CA 0.861 57.104 56.287 -0.073 0.000 0.987 251 K CB 0.319 32.796 32.500 -0.039 0.000 0.779 251 K HN 0.354 nan 8.250 nan 0.000 0.484 252 V N 0.020 119.823 119.914 -0.186 0.000 3.539 252 V HA -0.088 4.032 4.120 0.000 0.000 0.262 252 V C 1.949 177.866 176.094 -0.295 0.000 1.381 252 V CA 0.853 63.038 62.300 -0.192 0.000 1.060 252 V CB 0.938 32.679 31.823 -0.137 0.000 0.842 252 V HN 0.256 nan 8.190 nan 0.000 0.445 253 S N 1.318 116.710 115.700 -0.514 0.000 2.399 253 S HA -0.070 4.401 4.470 0.000 0.000 0.231 253 S C -0.260 174.190 174.600 -0.250 0.000 1.022 253 S CA 1.179 59.039 58.200 -0.565 0.000 0.983 253 S CB -1.586 61.067 63.200 -0.912 0.000 0.803 253 S HN 0.470 nan 8.310 nan 0.000 0.480 254 P HA -0.004 nan 4.420 nan 0.000 0.226 254 P C 1.670 178.932 177.300 -0.064 0.000 1.146 254 P CA 1.045 64.094 63.100 -0.085 0.000 0.773 254 P CB -0.636 31.030 31.700 -0.057 0.000 0.772 255 C N -3.561 115.685 119.300 -0.091 0.000 2.562 255 C HA 0.188 4.648 4.460 0.000 0.000 0.266 255 C C 2.340 177.259 174.990 -0.118 0.000 1.382 255 C CA -0.404 58.560 59.018 -0.090 0.000 1.742 255 C CB -2.115 25.572 27.740 -0.089 0.000 1.812 255 C HN 0.092 nan 8.230 nan 0.000 0.559 256 L N 1.852 123.019 121.223 -0.094 0.000 2.079 256 L HA -0.129 4.211 4.340 0.000 0.000 0.210 256 L C 2.505 179.339 176.870 -0.060 0.000 1.081 256 L CA 1.594 56.391 54.840 -0.073 0.000 0.752 256 L CB -0.605 41.433 42.059 -0.036 0.000 0.896 256 L HN 0.438 nan 8.230 nan 0.000 0.433 257 N N -0.550 118.136 118.700 -0.022 0.000 2.166 257 N HA -0.148 4.593 4.740 0.000 0.000 0.186 257 N C 1.849 177.367 175.510 0.013 0.000 1.019 257 N CA 1.232 54.311 53.050 0.049 0.000 0.856 257 N CB -0.382 38.163 38.487 0.098 0.000 0.993 257 N HN 0.152 nan 8.380 nan 0.000 0.426 258 V N 1.574 121.391 119.914 -0.161 0.000 2.270 258 V HA -0.164 3.956 4.120 0.000 0.000 0.245 258 V C 2.351 177.900 176.094 -0.909 0.000 1.043 258 V CA 1.032 62.945 62.300 -0.644 0.000 1.014 258 V CB -0.447 31.013 31.823 -0.605 0.000 0.645 258 V HN 0.144 nan 8.190 nan 0.000 0.447 259 L N 0.095 121.005 121.223 -0.523 0.000 2.081 259 L HA -0.189 4.152 4.340 0.000 0.000 0.212 259 L C 2.706 179.399 176.870 -0.295 0.000 1.080 259 L CA 2.193 56.795 54.840 -0.396 0.000 0.754 259 L CB -1.550 40.373 42.059 -0.227 0.000 0.893 259 L HN 0.392 nan 8.230 nan 0.000 0.433 260 S N -0.737 114.858 115.700 -0.175 0.000 2.356 260 S HA -0.196 4.274 4.470 0.000 0.000 0.223 260 S C 1.863 176.560 174.600 0.162 0.000 1.032 260 S CA 1.588 59.790 58.200 0.003 0.000 1.005 260 S CB -0.304 62.959 63.200 0.104 0.000 0.867 260 S HN 0.633 nan 8.310 nan 0.000 0.449 261 W N 0.875 122.246 121.300 0.118 0.000 2.518 261 W HA 0.133 4.793 4.660 0.000 0.000 0.273 261 W C 1.330 177.970 176.519 0.202 0.000 1.247 261 W CA 0.034 57.514 57.345 0.224 0.000 1.288 261 W CB -0.882 28.619 29.460 0.069 0.000 1.107 261 W HN 0.229 nan 8.180 nan 0.000 0.586 262 L N 1.347 122.347 121.223 -0.372 0.000 2.265 262 L HA -0.179 4.161 4.340 0.000 0.000 0.215 262 L C 2.463 179.281 176.870 -0.088 0.000 1.117 262 L CA 0.980 55.633 54.840 -0.312 0.000 0.782 262 L CB -0.556 41.169 42.059 -0.557 0.000 0.914 262 L HN -0.020 nan 8.230 nan 0.000 0.441 263 L N -1.610 119.557 121.223 -0.093 0.000 2.551 263 L HA -0.112 4.228 4.340 0.000 0.000 0.228 263 L C 1.606 178.318 176.870 -0.263 0.000 1.153 263 L CA 0.636 55.360 54.840 -0.193 0.000 0.851 263 L CB -0.280 41.604 42.059 -0.291 0.000 0.959 263 L HN 0.194 nan 8.230 nan 0.000 0.451 264 F N -1.291 118.691 119.950 0.054 0.000 2.749 264 F HA 0.091 4.618 4.527 0.000 0.000 0.300 264 F C 1.144 176.996 175.800 0.087 0.000 1.103 264 F CA -0.279 57.769 58.000 0.080 0.000 1.342 264 F CB 0.104 39.172 39.000 0.115 0.000 1.098 264 F HN -0.263 nan 8.300 nan 0.000 0.586 265 V N 0.580 120.623 119.914 0.214 0.000 2.924 265 V HA -0.012 4.108 4.120 0.000 0.000 0.305 265 V C 1.365 177.524 176.094 0.109 0.000 1.073 265 V CA 0.631 63.030 62.300 0.164 0.000 1.098 265 V CB 1.423 33.330 31.823 0.140 0.000 1.000 265 V HN 0.328 nan 8.190 nan 0.000 0.484 266 S N 1.132 116.893 115.700 0.102 0.000 2.458 266 S HA -0.030 4.440 4.470 0.000 0.000 0.223 266 S C 0.710 175.362 174.600 0.086 0.000 1.019 266 S CA 0.319 58.573 58.200 0.089 0.000 0.937 266 S CB -0.273 62.972 63.200 0.075 0.000 0.788 266 S HN 0.853 nan 8.310 nan 0.000 0.511 267 D N 1.816 122.259 120.400 0.071 0.000 2.487 267 D HA 0.145 4.785 4.640 0.000 0.000 0.243 267 D C 0.989 177.312 176.300 0.037 0.000 1.154 267 D CA 0.588 54.620 54.000 0.054 0.000 0.876 267 D CB 0.936 41.765 40.800 0.048 0.000 1.161 267 D HN 0.145 nan 8.370 nan 0.000 0.478 268 T N 2.638 117.212 114.554 0.033 0.000 2.788 268 T HA -0.146 4.204 4.350 0.000 0.000 0.268 268 T C 1.054 175.734 174.700 -0.033 0.000 1.044 268 T CA 1.076 63.164 62.100 -0.020 0.000 1.139 268 T CB -0.111 68.757 68.868 0.001 0.000 0.867 268 T HN 0.452 nan 8.240 nan 0.000 0.454 269 D N 0.615 121.012 120.400 -0.005 0.000 2.117 269 D HA -0.034 4.606 4.640 0.000 0.000 0.198 269 D C 2.254 178.567 176.300 0.022 0.000 0.982 269 D CA 0.595 54.597 54.000 0.003 0.000 0.828 269 D CB -0.404 40.387 40.800 -0.015 0.000 0.967 269 D HN 0.207 nan 8.370 nan 0.000 0.464 270 V N 0.919 120.845 119.914 0.020 0.000 2.307 270 V HA -0.183 3.937 4.120 0.000 0.000 0.245 270 V C 2.655 178.745 176.094 -0.007 0.000 1.045 270 V CA 1.009 63.325 62.300 0.027 0.000 1.024 270 V CB -0.489 31.358 31.823 0.040 0.000 0.651 270 V HN 0.171 nan 8.190 nan 0.000 0.449 271 L N 0.305 121.509 121.223 -0.033 0.000 1.990 271 L HA -0.229 4.111 4.340 0.000 0.000 0.213 271 L C 2.806 179.619 176.870 -0.095 0.000 1.072 271 L CA 1.862 56.654 54.840 -0.081 0.000 0.755 271 L CB -0.945 41.048 42.059 -0.109 0.000 0.889 271 L HN 0.367 nan 8.230 nan 0.000 0.432 272 A N -0.128 122.647 122.820 -0.075 0.000 1.892 272 A HA -0.275 4.045 4.320 0.000 0.000 0.218 272 A C 1.971 179.614 177.584 0.099 0.000 1.188 272 A CA 2.337 54.354 52.037 -0.033 0.000 0.631 272 A CB -0.649 18.382 19.000 0.052 0.000 0.822 272 A HN 0.414 nan 8.150 nan 0.000 0.447 273 D N -0.460 120.039 120.400 0.164 0.000 2.224 273 D HA 0.082 4.722 4.640 0.000 0.000 0.205 273 D C 2.202 178.579 176.300 0.127 0.000 0.965 273 D CA 1.176 55.324 54.000 0.247 0.000 0.852 273 D CB -0.337 40.596 40.800 0.222 0.000 0.947 273 D HN 0.430 nan 8.370 nan 0.000 0.494 274 A N 0.427 123.255 122.820 0.013 0.000 1.877 274 A HA -0.191 4.129 4.320 0.000 0.000 0.216 274 A C 2.519 180.049 177.584 -0.091 0.000 1.186 274 A CA 1.248 53.243 52.037 -0.070 0.000 0.620 274 A CB -0.939 17.982 19.000 -0.133 0.000 0.822 274 A HN 0.335 nan 8.150 nan 0.000 0.443 275 C N -2.765 116.456 119.300 -0.132 0.000 2.429 275 C HA -0.158 4.302 4.460 0.000 0.000 0.277 275 C C 2.425 177.254 174.990 -0.267 0.000 1.262 275 C CA 0.569 59.452 59.018 -0.225 0.000 1.733 275 C CB -1.818 25.732 27.740 -0.315 0.000 2.010 275 C HN 0.818 nan 8.230 nan 0.000 0.483 276 W N 1.020 122.194 121.300 -0.210 0.000 2.335 276 W HA -0.143 4.517 4.660 0.000 0.000 0.311 276 W C 2.707 178.890 176.519 -0.561 0.000 1.213 276 W CA 1.289 58.395 57.345 -0.398 0.000 1.274 276 W CB -0.591 28.742 29.460 -0.211 0.000 1.148 276 W HN 0.291 nan 8.180 nan 0.000 0.498 277 A N 0.242 123.093 122.820 0.051 0.000 1.873 277 A HA -0.242 4.079 4.320 0.000 0.000 0.218 277 A C 1.925 179.534 177.584 0.042 0.000 1.193 277 A CA 1.903 54.015 52.037 0.125 0.000 0.629 277 A CB -1.164 17.881 19.000 0.075 0.000 0.826 277 A HN 0.323 nan 8.150 nan 0.000 0.447 278 L N 0.318 121.514 121.223 -0.045 0.000 2.083 278 L HA -0.190 4.150 4.340 0.000 0.000 0.209 278 L C 3.030 179.870 176.870 -0.050 0.000 1.083 278 L CA 1.564 56.379 54.840 -0.041 0.000 0.752 278 L CB -0.494 41.517 42.059 -0.080 0.000 0.899 278 L HN 0.653 nan 8.230 nan 0.000 0.433 279 S N -0.764 114.841 115.700 -0.158 0.000 2.399 279 S HA -0.222 4.248 4.470 0.000 0.000 0.231 279 S C 1.920 176.509 174.600 -0.020 0.000 1.022 279 S CA 1.014 59.126 58.200 -0.146 0.000 0.983 279 S CB -0.680 62.352 63.200 -0.281 0.000 0.803 279 S HN 0.499 nan 8.310 nan 0.000 0.480 280 Y N 1.114 121.485 120.300 0.119 0.000 2.286 280 Y HA 0.221 4.771 4.550 0.000 0.000 0.293 280 Y C 2.410 178.373 175.900 0.105 0.000 1.124 280 Y CA 0.495 58.660 58.100 0.108 0.000 1.178 280 Y CB -0.181 38.336 38.460 0.095 0.000 1.010 280 Y HN 0.204 nan 8.280 nan 0.000 0.536 281 L N -0.374 121.003 121.223 0.256 0.000 2.156 281 L HA -0.145 4.195 4.340 0.000 0.000 0.208 281 L C 2.096 179.093 176.870 0.211 0.000 1.095 281 L CA 1.385 56.391 54.840 0.277 0.000 0.770 281 L CB -0.450 41.754 42.059 0.241 0.000 0.914 281 L HN 0.226 nan 8.230 nan 0.000 0.439 282 S N -2.542 113.232 115.700 0.123 0.000 2.634 282 S HA 0.007 4.478 4.470 0.000 0.000 0.221 282 S C 0.473 175.105 174.600 0.053 0.000 0.952 282 S CA -0.389 57.847 58.200 0.060 0.000 0.930 282 S CB -0.274 62.945 63.200 0.032 0.000 0.780 282 S HN 0.181 nan 8.310 nan 0.000 0.498 283 D N 1.493 121.947 120.400 0.089 0.000 2.456 283 D HA 0.605 5.245 4.640 0.000 0.000 0.219 283 D C 0.383 176.709 176.300 0.043 0.000 1.126 283 D CA 0.548 54.599 54.000 0.086 0.000 0.890 283 D CB 0.487 41.370 40.800 0.138 0.000 1.025 283 D HN 0.491 nan 8.370 nan 0.000 0.511 284 G N 3.222 112.024 108.800 0.004 0.000 2.345 284 G HA2 0.131 4.091 3.960 0.000 0.000 0.285 284 G HA3 0.131 4.091 3.960 0.000 0.000 0.285 284 G C -2.854 172.008 174.900 -0.063 0.000 1.297 284 G CA -0.911 44.167 45.100 -0.036 0.000 0.875 284 G HN 0.316 nan 8.290 nan 0.000 0.506 285 P HA 0.265 nan 4.420 nan 0.000 0.271 285 P C 0.426 177.661 177.300 -0.109 0.000 1.244 285 P CA -0.448 62.600 63.100 -0.087 0.000 0.793 285 P CB 0.442 32.089 31.700 -0.089 0.000 0.984 286 N N 0.583 119.234 118.700 -0.082 0.000 2.453 286 N HA -0.130 4.611 4.740 0.000 0.000 0.183 286 N C 0.998 176.455 175.510 -0.088 0.000 1.041 286 N CA 0.929 53.934 53.050 -0.075 0.000 0.900 286 N CB -0.616 37.840 38.487 -0.052 0.000 0.961 286 N HN 0.545 nan 8.380 nan 0.000 0.443 287 D N 0.711 121.043 120.400 -0.113 0.000 2.178 287 D HA -0.145 4.495 4.640 0.000 0.000 0.202 287 D C 1.259 177.431 176.300 -0.213 0.000 0.974 287 D CA 1.138 55.063 54.000 -0.124 0.000 0.841 287 D CB -0.296 40.435 40.800 -0.115 0.000 0.953 287 D HN 0.193 nan 8.370 nan 0.000 0.478 288 K N 0.088 120.273 120.400 -0.358 0.000 2.103 288 K HA 0.087 4.408 4.320 0.000 0.000 0.204 288 K C 2.357 178.857 176.600 -0.166 0.000 1.052 288 K CA 0.622 56.573 56.287 -0.561 0.000 0.945 288 K CB 0.077 32.166 32.500 -0.685 0.000 0.722 288 K HN 0.229 nan 8.250 nan 0.000 0.443 289 I N 1.241 121.748 120.570 -0.106 0.000 2.439 289 I HA -0.236 3.934 4.170 0.000 0.000 0.251 289 I C 2.760 178.869 176.117 -0.012 0.000 1.139 289 I CA 0.965 62.242 61.300 -0.037 0.000 1.438 289 I CB -0.155 37.818 38.000 -0.045 0.000 1.085 289 I HN 0.258 nan 8.210 nan 0.000 0.427 290 Q N 1.349 121.137 119.800 -0.020 0.000 2.046 290 Q HA -0.211 4.130 4.340 0.000 0.000 0.200 290 Q C 2.383 178.407 176.000 0.041 0.000 0.975 290 Q CA 1.885 57.690 55.803 0.003 0.000 0.836 290 Q CB -0.073 28.662 28.738 -0.005 0.000 0.896 290 Q HN 0.517 nan 8.270 nan 0.000 0.428 291 A N -0.030 122.838 122.820 0.081 0.000 1.940 291 A HA -0.143 4.177 4.320 0.000 0.000 0.219 291 A C 2.180 179.846 177.584 0.136 0.000 1.176 291 A CA 1.612 53.746 52.037 0.163 0.000 0.631 291 A CB -0.682 18.543 19.000 0.374 0.000 0.814 291 A HN 0.318 nan 8.150 nan 0.000 0.446 292 V N 0.012 120.001 119.914 0.124 0.000 2.358 292 V HA -0.227 3.893 4.120 0.000 0.000 0.246 292 V C 2.395 178.513 176.094 0.040 0.000 1.047 292 V CA 1.898 64.246 62.300 0.081 0.000 1.035 292 V CB -0.639 31.228 31.823 0.073 0.000 0.658 292 V HN 0.567 nan 8.190 nan 0.000 0.452 293 I N 0.114 120.700 120.570 0.027 0.000 2.315 293 I HA -0.214 3.957 4.170 0.000 0.000 0.248 293 I C 2.228 178.359 176.117 0.023 0.000 1.117 293 I CA 1.414 62.722 61.300 0.013 0.000 1.404 293 I CB -0.480 37.522 38.000 0.003 0.000 1.071 293 I HN 0.287 nan 8.210 nan 0.000 0.419 294 D N 1.143 121.562 120.400 0.033 0.000 2.221 294 D HA -0.162 4.478 4.640 0.000 0.000 0.204 294 D C 2.118 178.442 176.300 0.040 0.000 0.982 294 D CA 1.410 55.432 54.000 0.037 0.000 0.857 294 D CB -0.051 40.776 40.800 0.046 0.000 0.934 294 D HN 0.367 nan 8.370 nan 0.000 0.475 295 A N -0.546 122.300 122.820 0.042 0.000 2.167 295 A HA 0.326 4.646 4.320 0.000 0.000 0.214 295 A C 1.867 179.481 177.584 0.050 0.000 1.151 295 A CA 1.347 53.410 52.037 0.043 0.000 0.735 295 A CB -0.175 18.844 19.000 0.032 0.000 0.802 295 A HN 0.278 nan 8.150 nan 0.000 0.467 296 G N -1.472 107.353 108.800 0.042 0.000 2.157 296 G HA2 -0.280 3.680 3.960 0.000 0.000 0.248 296 G HA3 -0.280 3.680 3.960 0.000 0.000 0.248 296 G C 1.097 176.019 174.900 0.036 0.000 0.979 296 G CA 0.835 45.965 45.100 0.049 0.000 0.650 296 G HN 1.454 nan 8.290 nan 0.000 0.529 297 V N -2.345 117.575 119.914 0.010 0.000 2.809 297 V HA -0.056 4.064 4.120 0.000 0.000 0.256 297 V C 2.596 178.660 176.094 -0.050 0.000 1.080 297 V CA 1.893 64.176 62.300 -0.028 0.000 1.102 297 V CB -1.119 30.678 31.823 -0.043 0.000 0.705 297 V HN 0.505 nan 8.190 nan 0.000 0.475 298 C N 0.245 119.524 119.300 -0.035 0.000 2.413 298 C HA -0.130 4.330 4.460 0.000 0.000 0.276 298 C C 2.934 177.892 174.990 -0.055 0.000 1.248 298 C CA 1.862 60.852 59.018 -0.047 0.000 1.742 298 C CB -1.299 26.419 27.740 -0.037 0.000 2.017 298 C HN 0.686 nan 8.230 nan 0.000 0.481 299 R N 0.429 120.904 120.500 -0.042 0.000 2.073 299 R HA -0.085 4.255 4.340 0.000 0.000 0.234 299 R C 2.541 178.792 176.300 -0.080 0.000 1.134 299 R CA 1.237 57.310 56.100 -0.045 0.000 0.952 299 R CB -0.165 30.125 30.300 -0.016 0.000 0.850 299 R HN 0.372 nan 8.270 nan 0.000 0.433 300 R N 0.376 120.801 120.500 -0.126 0.000 2.073 300 R HA -0.107 4.234 4.340 0.000 0.000 0.234 300 R C 2.194 178.400 176.300 -0.156 0.000 1.134 300 R CA 0.884 56.861 56.100 -0.206 0.000 0.952 300 R CB -0.908 29.166 30.300 -0.378 0.000 0.850 300 R HN 0.219 nan 8.270 nan 0.000 0.433 301 L N 0.384 121.527 121.223 -0.133 0.000 1.990 301 L HA -0.180 4.160 4.340 0.000 0.000 0.213 301 L C 2.518 179.331 176.870 -0.094 0.000 1.072 301 L CA 1.468 56.238 54.840 -0.117 0.000 0.755 301 L CB -1.199 40.796 42.059 -0.106 0.000 0.889 301 L HN -0.064 nan 8.230 nan 0.000 0.432 302 V N -0.674 119.192 119.914 -0.081 0.000 2.343 302 V HA -0.265 3.855 4.120 0.000 0.000 0.247 302 V C 2.408 178.468 176.094 -0.056 0.000 1.051 302 V CA 1.518 63.779 62.300 -0.065 0.000 1.036 302 V CB -0.514 31.274 31.823 -0.058 0.000 0.654 302 V HN 0.494 nan 8.190 nan 0.000 0.451 303 E N 0.001 120.163 120.200 -0.063 0.000 2.160 303 E HA -0.201 4.149 4.350 0.000 0.000 0.195 303 E C 2.068 178.646 176.600 -0.037 0.000 0.991 303 E CA 1.124 57.491 56.400 -0.054 0.000 0.810 303 E CB -0.194 29.466 29.700 -0.068 0.000 0.742 303 E HN 0.515 nan 8.360 nan 0.000 0.466 304 L N 0.734 121.931 121.223 -0.043 0.000 2.478 304 L HA -0.071 4.269 4.340 0.000 0.000 0.223 304 L C 2.027 178.905 176.870 0.013 0.000 1.140 304 L CA 0.141 54.977 54.840 -0.005 0.000 0.842 304 L CB -0.120 41.904 42.059 -0.059 0.000 0.953 304 L HN 0.164 nan 8.230 nan 0.000 0.452 305 L N -0.768 120.451 121.223 -0.007 0.000 2.265 305 L HA -0.170 4.170 4.340 0.000 0.000 0.215 305 L C 1.905 178.814 176.870 0.065 0.000 1.117 305 L CA 0.840 55.691 54.840 0.018 0.000 0.782 305 L CB -0.284 41.777 42.059 0.003 0.000 0.914 305 L HN 0.392 nan 8.230 nan 0.000 0.441 306 M N -1.849 117.778 119.600 0.044 0.000 2.419 306 M HA 0.114 4.594 4.480 0.000 0.000 0.252 306 M C 0.612 176.933 176.300 0.034 0.000 1.143 306 M CA 0.127 55.446 55.300 0.031 0.000 0.985 306 M CB -0.778 31.798 32.600 -0.040 0.000 1.489 306 M HN 0.122 nan 8.290 nan 0.000 0.484 307 H N 1.403 120.457 119.070 -0.026 0.000 2.771 307 H HA 0.064 4.620 4.556 0.000 0.000 0.364 307 H C 0.498 175.793 175.328 -0.056 0.000 1.133 307 H CA 0.840 56.862 56.048 -0.043 0.000 1.423 307 H CB 0.955 30.688 29.762 -0.049 0.000 1.425 307 H HN 0.140 nan 8.280 nan 0.000 0.606 308 N N 1.403 120.068 118.700 -0.059 0.000 2.459 308 N HA -0.114 4.626 4.740 0.000 0.000 0.181 308 N C -0.205 175.271 175.510 -0.056 0.000 1.046 308 N CA 0.749 53.765 53.050 -0.057 0.000 0.904 308 N CB 0.170 38.585 38.487 -0.119 0.000 0.964 308 N HN 0.515 nan 8.380 nan 0.000 0.444 309 D N -0.659 119.856 120.400 0.191 0.000 2.344 309 D HA 0.096 4.736 4.640 0.000 0.000 0.239 309 D C 0.372 176.649 176.300 -0.039 0.000 1.064 309 D CA -0.583 53.412 54.000 -0.008 0.000 0.829 309 D CB 0.718 41.550 40.800 0.052 0.000 1.129 309 D HN -0.067 nan 8.370 nan 0.000 0.506 310 Y N 2.531 122.852 120.300 0.035 0.000 2.403 310 Y HA -0.094 4.456 4.550 0.000 0.000 0.291 310 Y C 2.135 178.024 175.900 -0.018 0.000 1.143 310 Y CA 0.802 58.907 58.100 0.008 0.000 1.257 310 Y CB -0.197 38.275 38.460 0.019 0.000 0.984 310 Y HN 0.377 nan 8.280 nan 0.000 0.550 311 K N -0.627 119.843 120.400 0.116 0.000 2.209 311 K HA -0.094 4.226 4.320 0.000 0.000 0.204 311 K C 1.852 178.427 176.600 -0.042 0.000 1.048 311 K CA 1.375 57.705 56.287 0.072 0.000 0.940 311 K CB -0.159 32.378 32.500 0.061 0.000 0.729 311 K HN 0.172 nan 8.250 nan 0.000 0.451 312 V N 0.128 119.949 119.914 -0.156 0.000 2.500 312 V HA -0.129 3.991 4.120 0.000 0.000 0.243 312 V C 2.126 178.099 176.094 -0.201 0.000 1.039 312 V CA 0.890 63.027 62.300 -0.272 0.000 1.053 312 V CB 0.032 31.508 31.823 -0.578 0.000 0.695 312 V HN 0.001 nan 8.190 nan 0.000 0.463 313 V N 0.382 120.246 119.914 -0.084 0.000 2.295 313 V HA -0.253 3.867 4.120 0.000 0.000 0.246 313 V C 2.595 178.638 176.094 -0.086 0.000 1.049 313 V CA 2.374 64.658 62.300 -0.025 0.000 1.024 313 V CB -0.910 30.980 31.823 0.111 0.000 0.648 313 V HN 0.542 nan 8.190 nan 0.000 0.447 314 S N 0.767 116.416 115.700 -0.085 0.000 2.365 314 S HA -0.156 4.314 4.470 0.000 0.000 0.221 314 S C 0.193 174.551 174.600 -0.404 0.000 1.037 314 S CA 2.259 60.361 58.200 -0.162 0.000 1.060 314 S CB -1.642 61.514 63.200 -0.074 0.000 0.974 314 S HN 0.581 nan 8.310 nan 0.000 0.427 315 P HA 0.007 nan 4.420 nan 0.000 0.217 315 P C 1.311 178.270 177.300 -0.568 0.000 1.150 315 P CA 1.498 63.940 63.100 -1.097 0.000 0.832 315 P CB -0.165 30.549 31.700 -1.644 0.000 0.787 316 A N 0.334 122.928 122.820 -0.376 0.000 1.877 316 A HA -0.177 4.143 4.320 0.000 0.000 0.216 316 A C 2.223 179.707 177.584 -0.166 0.000 1.186 316 A CA 1.610 53.507 52.037 -0.234 0.000 0.620 316 A CB -1.722 17.175 19.000 -0.171 0.000 0.822 316 A HN 0.158 nan 8.150 nan 0.000 0.443 317 L N -0.251 120.893 121.223 -0.133 0.000 2.131 317 L HA -0.100 4.240 4.340 0.000 0.000 0.210 317 L C 2.375 179.264 176.870 0.033 0.000 1.092 317 L CA 2.122 56.933 54.840 -0.048 0.000 0.759 317 L CB -0.666 41.387 42.059 -0.009 0.000 0.903 317 L HN 0.461 nan 8.230 nan 0.000 0.435 318 R N -1.161 119.315 120.500 -0.041 0.000 2.090 318 R HA -0.053 4.288 4.340 0.000 0.000 0.228 318 R C 2.169 178.513 176.300 0.073 0.000 1.110 318 R CA 1.050 57.193 56.100 0.071 0.000 0.973 318 R CB -0.192 29.999 30.300 -0.181 0.000 0.869 318 R HN 0.467 nan 8.270 nan 0.000 0.440 319 A N 0.321 123.091 122.820 -0.083 0.000 1.858 319 A HA -0.118 4.202 4.320 0.000 0.000 0.216 319 A C 2.220 179.771 177.584 -0.056 0.000 1.190 319 A CA 1.567 53.560 52.037 -0.073 0.000 0.617 319 A CB -0.737 18.187 19.000 -0.128 0.000 0.827 319 A HN 0.189 nan 8.150 nan 0.000 0.443 320 V N 0.074 119.939 119.914 -0.082 0.000 2.282 320 V HA -0.247 3.874 4.120 0.000 0.000 0.249 320 V C 2.802 178.789 176.094 -0.178 0.000 1.057 320 V CA 2.173 64.406 62.300 -0.112 0.000 1.032 320 V CB -1.483 30.272 31.823 -0.113 0.000 0.645 320 V HN 0.641 nan 8.190 nan 0.000 0.447 321 G N -0.351 108.311 108.800 -0.231 0.000 2.422 321 G HA2 -0.243 3.717 3.960 0.000 0.000 0.218 321 G HA3 -0.243 3.717 3.960 0.000 0.000 0.218 321 G C 1.436 176.059 174.900 -0.461 0.000 1.146 321 G CA 0.790 45.486 45.100 -0.674 0.000 0.769 321 G HN 0.510 nan 8.290 nan 0.000 0.547 322 N N 0.373 119.043 118.700 -0.049 0.000 2.270 322 N HA 0.034 4.774 4.740 0.000 0.000 0.181 322 N C 2.180 177.663 175.510 -0.045 0.000 1.016 322 N CA 0.447 53.523 53.050 0.042 0.000 0.870 322 N CB -0.057 38.499 38.487 0.115 0.000 0.979 322 N HN 0.346 nan 8.380 nan 0.000 0.431 323 I N 0.583 121.108 120.570 -0.075 0.000 2.286 323 I HA -0.154 4.016 4.170 0.000 0.000 0.245 323 I C 1.775 177.833 176.117 -0.098 0.000 1.104 323 I CA 0.633 61.890 61.300 -0.071 0.000 1.397 323 I CB -0.148 37.812 38.000 -0.065 0.000 1.072 323 I HN -0.050 nan 8.210 nan 0.000 0.417 324 V N -1.316 118.509 119.914 -0.148 0.000 3.590 324 V HA -0.060 4.060 4.120 0.000 0.000 0.272 324 V C 1.829 177.820 176.094 -0.172 0.000 1.233 324 V CA 1.446 63.647 62.300 -0.165 0.000 1.182 324 V CB -1.922 29.777 31.823 -0.207 0.000 0.901 324 V HN 0.574 nan 8.190 nan 0.000 0.485 325 T N -2.561 111.907 114.554 -0.144 0.000 3.129 325 T HA 0.332 4.682 4.350 0.000 0.000 0.251 325 T C 1.050 175.706 174.700 -0.072 0.000 1.117 325 T CA 0.406 62.443 62.100 -0.106 0.000 1.034 325 T CB -0.329 68.501 68.868 -0.062 0.000 0.968 325 T HN 0.750 nan 8.240 nan 0.000 0.526 326 G N 2.061 110.819 108.800 -0.071 0.000 2.667 326 G HA2 0.399 4.359 3.960 0.000 0.000 0.250 326 G HA3 0.399 4.359 3.960 0.000 0.000 0.250 326 G C -0.073 174.798 174.900 -0.049 0.000 1.212 326 G CA -0.307 44.760 45.100 -0.055 0.000 0.874 326 G HN 0.600 nan 8.290 nan 0.000 0.561 327 D N -0.509 119.868 120.400 -0.038 0.000 2.192 327 D HA -0.026 4.614 4.640 0.000 0.000 0.238 327 D C 0.564 176.845 176.300 -0.032 0.000 1.348 327 D CA 0.048 54.030 54.000 -0.030 0.000 0.938 327 D CB 0.371 41.157 40.800 -0.024 0.000 1.256 327 D HN 0.216 nan 8.370 nan 0.000 0.529 328 D N -1.248 119.137 120.400 -0.025 0.000 2.224 328 D HA 0.001 4.641 4.640 0.000 0.000 0.205 328 D C 1.954 178.240 176.300 -0.024 0.000 0.965 328 D CA 0.506 54.492 54.000 -0.024 0.000 0.852 328 D CB -0.161 40.629 40.800 -0.016 0.000 0.947 328 D HN 0.411 nan 8.370 nan 0.000 0.494 329 I N 0.631 121.189 120.570 -0.021 0.000 2.163 329 I HA -0.284 3.887 4.170 0.000 0.000 0.240 329 I C 2.326 178.429 176.117 -0.024 0.000 1.081 329 I CA 1.149 62.437 61.300 -0.019 0.000 1.353 329 I CB -0.193 37.798 38.000 -0.015 0.000 1.054 329 I HN -0.047 nan 8.210 nan 0.000 0.407 330 Q N -0.264 119.519 119.800 -0.028 0.000 2.135 330 Q HA -0.240 4.100 4.340 0.000 0.000 0.204 330 Q C 2.272 178.246 176.000 -0.044 0.000 0.981 330 Q CA 2.266 58.049 55.803 -0.033 0.000 0.856 330 Q CB -0.301 28.415 28.738 -0.036 0.000 0.902 330 Q HN 0.594 nan 8.270 nan 0.000 0.425 331 T N -1.590 112.934 114.554 -0.049 0.000 3.014 331 T HA -0.130 4.221 4.350 0.000 0.000 0.263 331 T C 1.802 176.471 174.700 -0.052 0.000 1.078 331 T CA 0.930 62.993 62.100 -0.061 0.000 1.135 331 T CB 0.089 68.913 68.868 -0.073 0.000 0.895 331 T HN 0.050 nan 8.240 nan 0.000 0.480 332 Q N 0.962 120.739 119.800 -0.039 0.000 2.124 332 Q HA -0.005 4.335 4.340 0.000 0.000 0.202 332 Q C 2.228 178.210 176.000 -0.031 0.000 0.977 332 Q CA 1.591 57.375 55.803 -0.032 0.000 0.850 332 Q CB -0.938 27.787 28.738 -0.023 0.000 0.901 332 Q HN 0.503 nan 8.270 nan 0.000 0.429 333 V N 0.430 120.325 119.914 -0.030 0.000 2.370 333 V HA -0.289 3.831 4.120 0.000 0.000 0.252 333 V C 2.091 178.165 176.094 -0.034 0.000 1.068 333 V CA 1.604 63.887 62.300 -0.027 0.000 1.061 333 V CB -0.617 31.191 31.823 -0.025 0.000 0.656 333 V HN 0.400 nan 8.190 nan 0.000 0.455 334 I N -0.832 119.710 120.570 -0.046 0.000 2.480 334 I HA -0.081 4.089 4.170 0.000 0.000 0.251 334 I C 2.261 178.346 176.117 -0.052 0.000 1.124 334 I CA 1.346 62.612 61.300 -0.056 0.000 1.444 334 I CB -0.711 37.243 38.000 -0.076 0.000 1.098 334 I HN 0.293 nan 8.210 nan 0.000 0.428 335 L N 0.613 121.807 121.223 -0.049 0.000 2.093 335 L HA -0.166 4.174 4.340 0.000 0.000 0.208 335 L C 1.723 178.572 176.870 -0.034 0.000 1.085 335 L CA 0.977 55.790 54.840 -0.044 0.000 0.755 335 L CB -0.761 41.274 42.059 -0.040 0.000 0.904 335 L HN 0.259 nan 8.230 nan 0.000 0.435 336 N N -0.499 118.183 118.700 -0.030 0.000 2.635 336 N HA -0.108 4.632 4.740 0.000 0.000 0.191 336 N C 1.020 176.516 175.510 -0.023 0.000 1.155 336 N CA 0.728 53.764 53.050 -0.023 0.000 0.927 336 N CB -0.288 38.188 38.487 -0.018 0.000 0.976 336 N HN 0.357 nan 8.380 nan 0.000 0.448 337 C N -0.132 119.151 119.300 -0.029 0.000 3.000 337 C HA 0.244 4.704 4.460 0.000 0.000 0.286 337 C C 0.844 175.816 174.990 -0.031 0.000 1.343 337 C CA -0.529 58.472 59.018 -0.028 0.000 1.742 337 C CB -1.284 26.435 27.740 -0.034 0.000 2.200 337 C HN 0.282 nan 8.230 nan 0.000 0.621 338 S N 0.929 116.611 115.700 -0.030 0.000 3.614 338 S HA -0.259 4.211 4.470 0.000 0.000 0.360 338 S C 1.278 175.857 174.600 -0.036 0.000 1.023 338 S CA 0.606 58.788 58.200 -0.031 0.000 1.114 338 S CB -1.495 61.688 63.200 -0.028 0.000 0.907 338 S HN 0.928 nan 8.310 nan 0.000 0.470 339 A N 0.547 123.341 122.820 -0.043 0.000 1.940 339 A HA -0.056 4.264 4.320 0.000 0.000 0.219 339 A C 1.934 179.491 177.584 -0.045 0.000 1.176 339 A CA 1.817 53.825 52.037 -0.049 0.000 0.631 339 A CB -0.415 18.546 19.000 -0.065 0.000 0.814 339 A HN 0.633 nan 8.150 nan 0.000 0.446 340 L N -0.263 120.932 121.223 -0.047 0.000 2.083 340 L HA -0.279 4.061 4.340 0.000 0.000 0.209 340 L C 2.936 179.787 176.870 -0.031 0.000 1.083 340 L CA 1.676 56.487 54.840 -0.049 0.000 0.752 340 L CB -0.708 41.319 42.059 -0.053 0.000 0.899 340 L HN 0.639 nan 8.230 nan 0.000 0.433 341 Q N -0.760 119.027 119.800 -0.022 0.000 2.167 341 Q HA -0.125 4.215 4.340 0.000 0.000 0.202 341 Q C 2.165 178.174 176.000 0.014 0.000 0.970 341 Q CA 1.680 57.479 55.803 -0.007 0.000 0.855 341 Q CB -0.429 28.300 28.738 -0.014 0.000 0.911 341 Q HN 0.344 nan 8.270 nan 0.000 0.438 342 S N 1.544 117.247 115.700 0.005 0.000 2.368 342 S HA -0.036 4.434 4.470 0.000 0.000 0.224 342 S C 1.957 176.597 174.600 0.066 0.000 1.029 342 S CA 0.934 59.156 58.200 0.037 0.000 0.988 342 S CB -0.236 62.969 63.200 0.007 0.000 0.838 342 S HN 0.262 nan 8.310 nan 0.000 0.462 343 L N 0.889 122.118 121.223 0.011 0.000 2.046 343 L HA -0.092 4.248 4.340 0.000 0.000 0.208 343 L C 2.415 179.282 176.870 -0.006 0.000 1.077 343 L CA 0.748 55.582 54.840 -0.011 0.000 0.747 343 L CB -0.568 41.459 42.059 -0.055 0.000 0.896 343 L HN 0.285 nan 8.230 nan 0.000 0.432 344 L N -0.383 120.840 121.223 -0.000 0.000 2.079 344 L HA -0.262 4.078 4.340 0.000 0.000 0.210 344 L C 2.551 179.448 176.870 0.044 0.000 1.081 344 L CA 1.962 56.804 54.840 0.003 0.000 0.752 344 L CB -0.708 41.353 42.059 0.003 0.000 0.896 344 L HN 0.269 nan 8.230 nan 0.000 0.433 345 H N -0.568 118.492 119.070 -0.016 0.000 2.353 345 H HA -0.107 4.449 4.556 0.000 0.000 0.300 345 H C 1.933 177.265 175.328 0.007 0.000 1.090 345 H CA 2.195 58.242 56.048 -0.002 0.000 1.327 345 H CB -0.262 29.499 29.762 -0.000 0.000 1.383 345 H HN 0.415 nan 8.280 nan 0.000 0.508 346 L N 0.177 121.364 121.223 -0.059 0.000 2.465 346 L HA -0.067 4.273 4.340 0.000 0.000 0.224 346 L C 1.995 178.809 176.870 -0.094 0.000 1.145 346 L CA 0.284 55.061 54.840 -0.105 0.000 0.834 346 L CB -0.201 41.855 42.059 -0.007 0.000 0.944 346 L HN 0.341 nan 8.230 nan 0.000 0.451 347 L N -1.241 119.937 121.223 -0.074 0.000 2.313 347 L HA -0.066 4.274 4.340 0.000 0.000 0.214 347 L C 1.953 178.782 176.870 -0.069 0.000 1.119 347 L CA 0.584 55.388 54.840 -0.060 0.000 0.809 347 L CB -0.117 41.914 42.059 -0.047 0.000 0.933 347 L HN 0.123 nan 8.230 nan 0.000 0.449 348 S N -1.010 114.630 115.700 -0.101 0.000 2.634 348 S HA 0.039 4.510 4.470 0.000 0.000 0.221 348 S C 0.813 175.346 174.600 -0.113 0.000 0.952 348 S CA -0.122 58.022 58.200 -0.093 0.000 0.930 348 S CB 0.032 63.182 63.200 -0.083 0.000 0.780 348 S HN 0.277 nan 8.310 nan 0.000 0.498 349 S N 3.088 118.711 115.700 -0.128 0.000 2.560 349 S HA 0.132 4.602 4.470 0.000 0.000 0.284 349 S C -1.108 173.452 174.600 -0.067 0.000 1.327 349 S CA -1.175 56.965 58.200 -0.100 0.000 1.055 349 S CB 0.736 63.876 63.200 -0.100 0.000 0.868 349 S HN 0.187 nan 8.310 nan 0.000 0.506 350 P HA 0.012 nan 4.420 nan 0.000 0.229 350 P C -0.139 177.112 177.300 -0.082 0.000 1.160 350 P CA 0.613 63.699 63.100 -0.023 0.000 0.777 350 P CB 0.078 31.801 31.700 0.038 0.000 0.814 351 K N 1.024 121.305 120.400 -0.198 0.000 2.285 351 K HA 0.045 4.365 4.320 0.000 0.000 0.286 351 K C 1.065 177.547 176.600 -0.196 0.000 1.072 351 K CA -0.148 55.962 56.287 -0.296 0.000 0.913 351 K CB 0.729 32.806 32.500 -0.705 0.000 1.067 351 K HN -0.319 nan 8.250 nan 0.000 0.479 352 E N 2.229 122.354 120.200 -0.125 0.000 2.150 352 E HA -0.155 4.195 4.350 0.000 0.000 0.193 352 E C 1.327 177.882 176.600 -0.076 0.000 0.985 352 E CA 1.899 58.252 56.400 -0.078 0.000 0.814 352 E CB 0.145 29.817 29.700 -0.046 0.000 0.752 352 E HN 0.685 nan 8.360 nan 0.000 0.466 353 S N -0.329 115.315 115.700 -0.094 0.000 2.428 353 S HA -0.054 4.417 4.470 0.000 0.000 0.230 353 S C 1.897 176.454 174.600 -0.072 0.000 1.014 353 S CA 0.633 58.789 58.200 -0.073 0.000 0.957 353 S CB -0.185 62.975 63.200 -0.066 0.000 0.784 353 S HN 0.198 nan 8.310 nan 0.000 0.499 354 I N 1.984 122.487 120.570 -0.111 0.000 2.286 354 I HA -0.013 4.158 4.170 0.000 0.000 0.245 354 I C 2.619 178.710 176.117 -0.044 0.000 1.104 354 I CA 1.102 62.352 61.300 -0.082 0.000 1.397 354 I CB -1.023 36.895 38.000 -0.136 0.000 1.072 354 I HN 0.374 nan 8.210 nan 0.000 0.417 355 K N 1.421 121.785 120.400 -0.060 0.000 2.020 355 K HA -0.266 4.054 4.320 0.000 0.000 0.212 355 K C 2.230 178.827 176.600 -0.006 0.000 1.050 355 K CA 1.978 58.242 56.287 -0.039 0.000 0.929 355 K CB -0.063 32.409 32.500 -0.046 0.000 0.714 355 K HN 0.118 nan 8.250 nan 0.000 0.443 356 K N 0.882 121.278 120.400 -0.005 0.000 2.032 356 K HA -0.202 4.118 4.320 0.000 0.000 0.209 356 K C 1.786 178.438 176.600 0.087 0.000 1.048 356 K CA 1.966 58.264 56.287 0.019 0.000 0.927 356 K CB -0.008 32.484 32.500 -0.012 0.000 0.712 356 K HN 0.203 nan 8.250 nan 0.000 0.441 357 E N -0.176 120.077 120.200 0.089 0.000 2.153 357 E HA -0.174 4.177 4.350 0.000 0.000 0.194 357 E C 1.918 178.684 176.600 0.277 0.000 0.988 357 E CA 0.957 57.504 56.400 0.245 0.000 0.811 357 E CB -0.081 29.712 29.700 0.156 0.000 0.746 357 E HN 0.476 nan 8.360 nan 0.000 0.466 358 A N 0.542 123.427 122.820 0.109 0.000 1.930 358 A HA -0.179 4.141 4.320 0.000 0.000 0.217 358 A C 2.375 179.965 177.584 0.010 0.000 1.175 358 A CA 1.035 53.092 52.037 0.034 0.000 0.627 358 A CB -0.736 18.262 19.000 -0.003 0.000 0.815 358 A HN 0.353 nan 8.150 nan 0.000 0.443 359 C N -2.450 116.876 119.300 0.044 0.000 2.432 359 C HA -0.134 4.326 4.460 0.000 0.000 0.277 359 C C 2.365 177.398 174.990 0.071 0.000 1.249 359 C CA 0.682 59.723 59.018 0.038 0.000 1.725 359 C CB -1.572 26.202 27.740 0.057 0.000 2.028 359 C HN 0.903 nan 8.230 nan 0.000 0.477 360 W N 1.967 123.235 121.300 -0.053 0.000 2.333 360 W HA -0.174 4.486 4.660 0.000 0.000 0.316 360 W C 2.266 178.737 176.519 -0.080 0.000 1.215 360 W CA 2.401 59.703 57.345 -0.072 0.000 1.278 360 W CB -0.973 28.437 29.460 -0.083 0.000 1.154 360 W HN 0.187 nan 8.180 nan 0.000 0.486 361 T N 1.886 116.113 114.554 -0.544 0.000 2.652 361 T HA -0.275 4.075 4.350 0.000 0.000 0.267 361 T C 1.860 176.307 174.700 -0.423 0.000 1.039 361 T CA 2.577 64.243 62.100 -0.723 0.000 1.153 361 T CB -0.619 67.991 68.868 -0.431 0.000 0.863 361 T HN 0.230 nan 8.240 nan 0.000 0.428 362 I N 1.902 122.327 120.570 -0.243 0.000 2.335 362 I HA -0.202 3.968 4.170 0.000 0.000 0.251 362 I C 2.763 178.792 176.117 -0.147 0.000 1.129 362 I CA 1.412 62.602 61.300 -0.182 0.000 1.402 362 I CB -0.502 37.401 38.000 -0.160 0.000 1.069 362 I HN 0.344 nan 8.210 nan 0.000 0.424 363 S N 0.610 116.237 115.700 -0.122 0.000 2.423 363 S HA -0.134 4.337 4.470 0.000 0.000 0.231 363 S C 1.754 176.299 174.600 -0.092 0.000 1.014 363 S CA 1.053 59.231 58.200 -0.036 0.000 0.965 363 S CB -0.396 62.838 63.200 0.057 0.000 0.785 363 S HN 0.412 nan 8.310 nan 0.000 0.495 364 N N 1.432 119.991 118.700 -0.236 0.000 2.354 364 N HA 0.237 4.977 4.740 0.000 0.000 0.179 364 N C 1.524 176.940 175.510 -0.156 0.000 1.021 364 N CA 0.917 53.822 53.050 -0.241 0.000 0.887 364 N CB -0.325 37.917 38.487 -0.407 0.000 0.974 364 N HN 0.508 nan 8.380 nan 0.000 0.437 365 I N 0.377 120.858 120.570 -0.147 0.000 2.277 365 I HA -0.161 4.009 4.170 0.000 0.000 0.243 365 I C 2.108 178.205 176.117 -0.032 0.000 1.094 365 I CA 1.123 62.367 61.300 -0.094 0.000 1.393 365 I CB -0.506 37.430 38.000 -0.106 0.000 1.078 365 I HN 0.136 nan 8.210 nan 0.000 0.417 366 T N -0.544 114.008 114.554 -0.003 0.000 3.025 366 T HA -0.042 4.308 4.350 0.000 0.000 0.270 366 T C 1.609 176.350 174.700 0.068 0.000 1.126 366 T CA 0.850 62.994 62.100 0.074 0.000 1.105 366 T CB -0.370 68.590 68.868 0.154 0.000 0.884 366 T HN 0.319 nan 8.240 nan 0.000 0.522 367 A N 0.904 123.745 122.820 0.036 0.000 2.252 367 A HA 0.574 4.894 4.320 0.000 0.000 0.207 367 A C 1.430 179.024 177.584 0.015 0.000 1.194 367 A CA 0.155 52.214 52.037 0.037 0.000 0.809 367 A CB -0.948 18.063 19.000 0.019 0.000 0.814 367 A HN 0.657 nan 8.150 nan 0.000 0.482 368 G N 0.366 109.172 108.800 0.010 0.000 2.494 368 G HA2 0.353 4.313 3.960 0.000 0.000 0.270 368 G HA3 0.353 4.313 3.960 0.000 0.000 0.270 368 G C 0.170 175.077 174.900 0.011 0.000 1.423 368 G CA -0.071 45.030 45.100 0.001 0.000 1.055 368 G HN 0.593 nan 8.290 nan 0.000 0.536 369 N N -1.615 117.088 118.700 0.006 0.000 2.405 369 N HA 0.179 4.919 4.740 0.000 0.000 0.269 369 N C 1.152 176.670 175.510 0.013 0.000 1.249 369 N CA -0.619 52.435 53.050 0.008 0.000 0.974 369 N CB 0.774 39.262 38.487 0.001 0.000 1.204 369 N HN 0.455 nan 8.380 nan 0.000 0.565 370 R N -0.643 119.863 120.500 0.010 0.000 2.092 370 R HA -0.051 4.290 4.340 0.000 0.000 0.231 370 R C 1.908 178.215 176.300 0.011 0.000 1.119 370 R CA 1.389 57.497 56.100 0.012 0.000 0.970 370 R CB -0.895 29.409 30.300 0.006 0.000 0.864 370 R HN 0.726 nan 8.270 nan 0.000 0.440 371 A N 1.781 124.604 122.820 0.005 0.000 1.884 371 A HA -0.296 4.024 4.320 0.000 0.000 0.219 371 A C 2.134 179.722 177.584 0.006 0.000 1.197 371 A CA 1.747 53.785 52.037 0.002 0.000 0.637 371 A CB -0.568 18.430 19.000 -0.002 0.000 0.827 371 A HN 0.374 nan 8.150 nan 0.000 0.450 372 Q N -0.873 118.932 119.800 0.007 0.000 2.123 372 Q HA 0.003 4.343 4.340 0.000 0.000 0.199 372 Q C 2.036 178.055 176.000 0.032 0.000 0.966 372 Q CA 1.268 57.076 55.803 0.008 0.000 0.845 372 Q CB -0.266 28.470 28.738 -0.003 0.000 0.907 372 Q HN 0.756 nan 8.270 nan 0.000 0.439 373 I N 0.496 121.097 120.570 0.051 0.000 2.208 373 I HA -0.319 3.852 4.170 0.000 0.000 0.245 373 I C 2.454 178.639 176.117 0.113 0.000 1.097 373 I CA 1.105 62.467 61.300 0.105 0.000 1.363 373 I CB -0.126 37.931 38.000 0.094 0.000 1.051 373 I HN 0.218 nan 8.210 nan 0.000 0.413 374 Q N 0.687 120.520 119.800 0.055 0.000 2.124 374 Q HA -0.198 4.142 4.340 0.000 0.000 0.202 374 Q C 2.256 178.275 176.000 0.032 0.000 0.977 374 Q CA 2.523 58.344 55.803 0.030 0.000 0.850 374 Q CB -0.443 28.293 28.738 -0.003 0.000 0.901 374 Q HN 0.655 nan 8.270 nan 0.000 0.429 375 T N -2.936 111.633 114.554 0.025 0.000 2.746 375 T HA -0.121 4.229 4.350 0.000 0.000 0.267 375 T C 1.802 176.513 174.700 0.018 0.000 1.039 375 T CA 1.481 63.587 62.100 0.009 0.000 1.142 375 T CB -0.801 68.064 68.868 -0.005 0.000 0.866 375 T HN 0.075 nan 8.240 nan 0.000 0.444 376 V N 1.620 121.557 119.914 0.039 0.000 2.332 376 V HA -0.094 4.026 4.120 0.000 0.000 0.248 376 V C 2.723 178.879 176.094 0.102 0.000 1.055 376 V CA 1.632 63.938 62.300 0.010 0.000 1.038 376 V CB -0.790 31.015 31.823 -0.030 0.000 0.651 376 V HN 0.492 nan 8.190 nan 0.000 0.450 377 I N 0.225 120.954 120.570 0.265 0.000 2.179 377 I HA -0.238 3.932 4.170 0.000 0.000 0.242 377 I C 2.245 178.418 176.117 0.093 0.000 1.088 377 I CA 1.720 63.194 61.300 0.290 0.000 1.357 377 I CB -0.467 37.575 38.000 0.070 0.000 1.051 377 I HN 0.310 nan 8.210 nan 0.000 0.409 378 D N 0.886 121.299 120.400 0.021 0.000 2.264 378 D HA -0.073 4.567 4.640 0.000 0.000 0.208 378 D C 2.035 178.340 176.300 0.008 0.000 0.966 378 D CA 1.107 55.101 54.000 -0.010 0.000 0.864 378 D CB -0.003 40.783 40.800 -0.023 0.000 0.933 378 D HN 0.340 nan 8.370 nan 0.000 0.499 379 A N 0.332 123.160 122.820 0.013 0.000 2.206 379 A HA -0.082 4.238 4.320 0.000 0.000 0.211 379 A C 0.935 178.529 177.584 0.017 0.000 1.158 379 A CA 0.330 52.368 52.037 0.002 0.000 0.761 379 A CB -0.601 18.385 19.000 -0.023 0.000 0.801 379 A HN 0.372 nan 8.150 nan 0.000 0.473 380 N N -1.165 117.569 118.700 0.056 0.000 2.780 380 N HA -0.146 4.594 4.740 0.000 0.000 0.248 380 N C 0.579 176.118 175.510 0.049 0.000 1.102 380 N CA 0.424 53.530 53.050 0.093 0.000 0.697 380 N CB -0.591 37.940 38.487 0.074 0.000 1.028 380 N HN 0.377 nan 8.380 nan 0.000 0.554 381 I N -0.415 120.140 120.570 -0.026 0.000 2.406 381 I HA -0.162 4.008 4.170 0.000 0.000 0.249 381 I C 1.861 177.874 176.117 -0.173 0.000 1.122 381 I CA 1.229 62.428 61.300 -0.169 0.000 1.431 381 I CB -0.928 36.851 38.000 -0.367 0.000 1.087 381 I HN 0.200 nan 8.210 nan 0.000 0.424 382 F N 1.445 121.439 119.950 0.073 0.000 2.186 382 F HA -0.075 4.453 4.527 0.000 0.000 0.299 382 F C -0.158 175.640 175.800 -0.003 0.000 1.090 382 F CA 1.347 59.371 58.000 0.039 0.000 1.307 382 F CB -2.137 36.897 39.000 0.056 0.000 1.019 382 F HN 0.117 nan 8.300 nan 0.000 0.489 383 P HA -0.225 nan 4.420 nan 0.000 0.216 383 P C 1.465 178.791 177.300 0.043 0.000 1.153 383 P CA 2.208 65.350 63.100 0.071 0.000 0.858 383 P CB -0.194 31.545 31.700 0.064 0.000 0.789 384 A N -0.654 122.181 122.820 0.026 0.000 1.898 384 A HA -0.149 4.172 4.320 0.000 0.000 0.216 384 A C 2.228 179.810 177.584 -0.003 0.000 1.181 384 A CA 1.349 53.387 52.037 0.001 0.000 0.620 384 A CB -1.617 17.373 19.000 -0.016 0.000 0.819 384 A HN 0.110 nan 8.150 nan 0.000 0.442 385 L N -0.789 120.428 121.223 -0.010 0.000 2.131 385 L HA -0.163 4.178 4.340 0.000 0.000 0.210 385 L C 2.422 179.315 176.870 0.037 0.000 1.092 385 L CA 1.128 55.971 54.840 0.004 0.000 0.759 385 L CB -0.472 41.586 42.059 -0.002 0.000 0.903 385 L HN 0.382 nan 8.230 nan 0.000 0.435 386 I N -1.284 119.318 120.570 0.054 0.000 2.286 386 I HA -0.247 3.923 4.170 0.000 0.000 0.245 386 I C 2.798 178.924 176.117 0.014 0.000 1.104 386 I CA 0.890 62.210 61.300 0.034 0.000 1.397 386 I CB -0.141 37.874 38.000 0.024 0.000 1.072 386 I HN 0.150 nan 8.210 nan 0.000 0.417 387 S N 1.031 116.739 115.700 0.013 0.000 2.359 387 S HA -0.180 4.291 4.470 0.000 0.000 0.224 387 S C 2.058 176.661 174.600 0.005 0.000 1.035 387 S CA 1.516 59.721 58.200 0.007 0.000 1.018 387 S CB -0.299 62.905 63.200 0.006 0.000 0.876 387 S HN 0.313 nan 8.310 nan 0.000 0.448 388 I N 1.076 121.648 120.570 0.003 0.000 2.286 388 I HA -0.129 4.041 4.170 0.000 0.000 0.248 388 I C 2.255 178.372 176.117 0.001 0.000 1.115 388 I CA 0.897 62.197 61.300 -0.000 0.000 1.392 388 I CB -0.248 37.749 38.000 -0.005 0.000 1.065 388 I HN 0.324 nan 8.210 nan 0.000 0.418 389 L N 0.857 122.082 121.223 0.004 0.000 2.265 389 L HA -0.204 4.136 4.340 0.000 0.000 0.215 389 L C 2.335 179.206 176.870 0.002 0.000 1.117 389 L CA 1.502 56.342 54.840 -0.000 0.000 0.782 389 L CB -0.195 41.865 42.059 0.002 0.000 0.914 389 L HN 0.520 nan 8.230 nan 0.000 0.441 390 Q N -2.475 117.329 119.800 0.006 0.000 2.246 390 Q HA 0.020 4.360 4.340 0.000 0.000 0.222 390 Q C 1.215 177.224 176.000 0.015 0.000 0.851 390 Q CA 0.769 56.578 55.803 0.011 0.000 0.945 390 Q CB 0.443 29.185 28.738 0.008 0.000 1.122 390 Q HN 0.368 nan 8.270 nan 0.000 0.508 391 T N -3.681 110.881 114.554 0.014 0.000 2.966 391 T HA 0.514 4.864 4.350 0.000 0.000 0.254 391 T C 0.820 175.531 174.700 0.018 0.000 0.961 391 T CA 0.293 62.402 62.100 0.016 0.000 0.915 391 T CB 0.440 69.315 68.868 0.011 0.000 1.186 391 T HN 0.298 nan 8.240 nan 0.000 0.505 392 A N 2.372 125.200 122.820 0.014 0.000 2.296 392 A HA 0.553 4.873 4.320 0.000 0.000 0.264 392 A C 0.445 178.047 177.584 0.031 0.000 1.097 392 A CA -0.611 51.434 52.037 0.013 0.000 0.811 392 A CB 0.086 19.086 19.000 0.000 0.000 1.072 392 A HN 0.716 nan 8.150 nan 0.000 0.495 393 E N 0.106 120.328 120.200 0.036 0.000 2.404 393 E HA 0.127 4.477 4.350 0.000 0.000 0.261 393 E C 0.451 177.108 176.600 0.095 0.000 1.074 393 E CA -0.261 56.183 56.400 0.074 0.000 0.917 393 E CB 0.226 29.966 29.700 0.067 0.000 0.965 393 E HN 0.561 nan 8.360 nan 0.000 0.433 394 F N 3.026 122.983 119.950 0.013 0.000 2.048 394 F HA -0.302 4.225 4.527 0.000 0.000 0.296 394 F C 2.131 177.947 175.800 0.028 0.000 1.109 394 F CA 2.173 60.184 58.000 0.019 0.000 1.214 394 F CB -0.046 38.964 39.000 0.017 0.000 0.963 394 F HN 0.460 nan 8.300 nan 0.000 0.491 395 R N -0.590 119.886 120.500 -0.040 0.000 2.120 395 R HA -0.115 4.225 4.340 0.000 0.000 0.234 395 R C 2.070 178.277 176.300 -0.155 0.000 1.123 395 R CA 1.781 57.786 56.100 -0.158 0.000 0.975 395 R CB -0.880 29.453 30.300 0.055 0.000 0.866 395 R HN 0.369 nan 8.270 nan 0.000 0.446 396 T N 0.460 114.964 114.554 -0.084 0.000 2.770 396 T HA -0.069 4.281 4.350 0.000 0.000 0.263 396 T C 1.780 176.436 174.700 -0.074 0.000 1.039 396 T CA 0.845 62.912 62.100 -0.054 0.000 1.142 396 T CB -0.127 68.727 68.868 -0.025 0.000 0.868 396 T HN 0.242 nan 8.240 nan 0.000 0.435 397 R N 0.975 121.412 120.500 -0.105 0.000 2.119 397 R HA -0.131 4.209 4.340 0.000 0.000 0.246 397 R C 2.558 178.775 176.300 -0.138 0.000 1.146 397 R CA 1.544 57.581 56.100 -0.104 0.000 0.962 397 R CB -0.194 30.047 30.300 -0.097 0.000 0.863 397 R HN 0.321 nan 8.270 nan 0.000 0.442 398 K N 0.428 120.662 120.400 -0.275 0.000 2.097 398 K HA -0.169 4.151 4.320 0.000 0.000 0.206 398 K C 1.657 178.289 176.600 0.053 0.000 1.049 398 K CA 1.386 57.548 56.287 -0.208 0.000 0.933 398 K CB 0.179 32.438 32.500 -0.401 0.000 0.717 398 K HN 0.075 nan 8.250 nan 0.000 0.442 399 E N 0.258 120.495 120.200 0.062 0.000 2.107 399 E HA -0.119 4.231 4.350 0.000 0.000 0.191 399 E C 1.913 178.614 176.600 0.168 0.000 0.982 399 E CA 1.071 57.579 56.400 0.179 0.000 0.809 399 E CB -0.238 29.547 29.700 0.141 0.000 0.756 399 E HN 0.403 nan 8.360 nan 0.000 0.459 400 A N 1.509 124.376 122.820 0.079 0.000 1.972 400 A HA -0.049 4.272 4.320 0.000 0.000 0.219 400 A C 2.395 180.023 177.584 0.074 0.000 1.169 400 A CA 1.810 53.884 52.037 0.062 0.000 0.635 400 A CB -0.464 18.550 19.000 0.023 0.000 0.810 400 A HN 0.251 nan 8.150 nan 0.000 0.446 401 A N -1.241 121.605 122.820 0.043 0.000 1.877 401 A HA -0.165 4.155 4.320 0.000 0.000 0.216 401 A C 1.982 179.568 177.584 0.003 0.000 1.186 401 A CA 1.343 53.369 52.037 -0.018 0.000 0.620 401 A CB -0.970 17.967 19.000 -0.105 0.000 0.822 401 A HN 0.732 nan 8.150 nan 0.000 0.443 402 W N -0.226 121.073 121.300 -0.001 0.000 2.321 402 W HA -0.171 4.489 4.660 0.000 0.000 0.306 402 W C 2.792 179.326 176.519 0.024 0.000 1.217 402 W CA 1.772 59.126 57.345 0.015 0.000 1.257 402 W CB -0.104 29.374 29.460 0.031 0.000 1.145 402 W HN 0.426 nan 8.180 nan 0.000 0.509 403 A N -0.092 122.891 122.820 0.271 0.000 1.877 403 A HA -0.202 4.118 4.320 0.000 0.000 0.216 403 A C 1.847 179.563 177.584 0.219 0.000 1.186 403 A CA 1.772 53.920 52.037 0.185 0.000 0.620 403 A CB -0.854 18.201 19.000 0.091 0.000 0.822 403 A HN 0.166 nan 8.150 nan 0.000 0.443 404 I N -0.138 120.546 120.570 0.190 0.000 2.252 404 I HA -0.156 4.014 4.170 0.000 0.000 0.245 404 I C 2.479 178.643 176.117 0.078 0.000 1.102 404 I CA 1.933 63.340 61.300 0.178 0.000 1.385 404 I CB -1.912 36.141 38.000 0.088 0.000 1.064 404 I HN 0.234 nan 8.210 nan 0.000 0.414 405 T N 1.387 115.960 114.554 0.032 0.000 2.857 405 T HA -0.086 4.264 4.350 0.000 0.000 0.266 405 T C 1.713 176.434 174.700 0.035 0.000 1.048 405 T CA 1.100 63.184 62.100 -0.026 0.000 1.139 405 T CB -0.154 68.627 68.868 -0.145 0.000 0.874 405 T HN 0.259 nan 8.240 nan 0.000 0.455 406 N N 1.688 120.464 118.700 0.128 0.000 2.120 406 N HA -0.019 4.721 4.740 0.000 0.000 0.188 406 N C 2.100 177.670 175.510 0.100 0.000 1.024 406 N CA 1.286 54.423 53.050 0.145 0.000 0.852 406 N CB -0.653 37.953 38.487 0.198 0.000 1.003 406 N HN 0.411 nan 8.380 nan 0.000 0.424 407 A N 0.672 123.565 122.820 0.122 0.000 1.865 407 A HA -0.199 4.121 4.320 0.000 0.000 0.217 407 A C 2.409 179.997 177.584 0.007 0.000 1.191 407 A CA 2.679 54.774 52.037 0.097 0.000 0.623 407 A CB -1.409 17.684 19.000 0.154 0.000 0.826 407 A HN 0.531 nan 8.150 nan 0.000 0.444 408 T N -1.508 113.030 114.554 -0.026 0.000 2.881 408 T HA -0.149 4.201 4.350 0.000 0.000 0.270 408 T C 1.961 176.644 174.700 -0.027 0.000 1.068 408 T CA 2.025 64.091 62.100 -0.057 0.000 1.131 408 T CB -0.780 68.035 68.868 -0.089 0.000 0.871 408 T HN 0.720 nan 8.240 nan 0.000 0.479 409 S N 1.085 116.785 115.700 -0.001 0.000 2.387 409 S HA 0.171 4.641 4.470 0.000 0.000 0.226 409 S C 2.317 176.925 174.600 0.014 0.000 1.026 409 S CA 0.737 58.942 58.200 0.009 0.000 0.972 409 S CB -0.998 62.220 63.200 0.029 0.000 0.814 409 S HN 0.656 nan 8.310 nan 0.000 0.477 410 G N 0.827 109.639 108.800 0.021 0.000 2.796 410 G HA2 0.496 4.456 3.960 0.000 0.000 0.210 410 G HA3 0.496 4.456 3.960 0.000 0.000 0.210 410 G C 0.552 175.459 174.900 0.013 0.000 1.146 410 G CA 0.119 45.231 45.100 0.020 0.000 0.779 410 G HN 0.729 nan 8.290 nan 0.000 0.535 411 G N 0.439 109.241 108.800 0.004 0.000 2.528 411 G HA2 0.438 4.399 3.960 0.000 0.000 0.289 411 G HA3 0.438 4.399 3.960 0.000 0.000 0.289 411 G C 0.431 175.329 174.900 -0.003 0.000 1.192 411 G CA 0.469 45.567 45.100 -0.003 0.000 0.921 411 G HN 0.506 nan 8.290 nan 0.000 0.512 412 S N -0.731 114.968 115.700 -0.002 0.000 2.645 412 S HA 0.499 4.969 4.470 0.000 0.000 0.266 412 S C 1.718 176.325 174.600 0.011 0.000 1.258 412 S CA 0.238 58.441 58.200 0.005 0.000 0.990 412 S CB 1.388 64.590 63.200 0.003 0.000 0.967 412 S HN 1.256 nan 8.310 nan 0.000 0.556 413 A N 0.655 123.490 122.820 0.024 0.000 1.940 413 A HA -0.064 4.256 4.320 0.000 0.000 0.219 413 A C 1.969 179.584 177.584 0.052 0.000 1.176 413 A CA 1.816 53.882 52.037 0.048 0.000 0.631 413 A CB -1.200 17.829 19.000 0.048 0.000 0.814 413 A HN 0.890 nan 8.150 nan 0.000 0.446 414 E N -0.114 120.106 120.200 0.033 0.000 2.150 414 E HA -0.144 4.206 4.350 0.000 0.000 0.193 414 E C 2.208 178.832 176.600 0.040 0.000 0.985 414 E CA 1.370 57.791 56.400 0.036 0.000 0.814 414 E CB -0.214 29.494 29.700 0.015 0.000 0.752 414 E HN 0.768 nan 8.360 nan 0.000 0.466 415 Q N -0.299 119.510 119.800 0.016 0.000 2.083 415 Q HA -0.081 4.260 4.340 0.000 0.000 0.198 415 Q C 1.923 177.921 176.000 -0.004 0.000 0.969 415 Q CA 0.795 56.602 55.803 0.007 0.000 0.838 415 Q CB -0.037 28.686 28.738 -0.024 0.000 0.900 415 Q HN 0.220 nan 8.270 nan 0.000 0.436 416 I N 1.437 121.985 120.570 -0.036 0.000 2.208 416 I HA -0.296 3.874 4.170 0.000 0.000 0.245 416 I C 2.287 178.358 176.117 -0.077 0.000 1.097 416 I CA 1.495 62.737 61.300 -0.095 0.000 1.363 416 I CB -0.504 37.439 38.000 -0.095 0.000 1.051 416 I HN 0.119 nan 8.210 nan 0.000 0.413 417 K N -0.202 120.222 120.400 0.041 0.000 2.044 417 K HA -0.302 4.018 4.320 0.000 0.000 0.210 417 K C 2.485 179.122 176.600 0.062 0.000 1.049 417 K CA 1.992 58.339 56.287 0.101 0.000 0.927 417 K CB -0.516 32.063 32.500 0.132 0.000 0.713 417 K HN 0.323 nan 8.250 nan 0.000 0.443 418 Y N 1.543 121.810 120.300 -0.054 0.000 2.165 418 Y HA -0.211 4.340 4.550 0.000 0.000 0.286 418 Y C 1.755 177.585 175.900 -0.116 0.000 1.155 418 Y CA 1.674 59.733 58.100 -0.070 0.000 1.164 418 Y CB -0.234 38.184 38.460 -0.071 0.000 0.978 418 Y HN 0.046 nan 8.280 nan 0.000 0.513 419 L N -1.136 119.916 121.223 -0.285 0.000 2.083 419 L HA -0.203 4.138 4.340 0.000 0.000 0.209 419 L C 2.349 179.029 176.870 -0.317 0.000 1.083 419 L CA 1.007 55.594 54.840 -0.421 0.000 0.752 419 L CB -0.727 41.093 42.059 -0.398 0.000 0.899 419 L HN 0.150 nan 8.230 nan 0.000 0.433 420 V N -0.101 119.665 119.914 -0.247 0.000 2.358 420 V HA -0.246 3.874 4.120 0.000 0.000 0.246 420 V C 2.289 178.305 176.094 -0.131 0.000 1.047 420 V CA 1.667 63.849 62.300 -0.196 0.000 1.035 420 V CB -0.412 31.286 31.823 -0.208 0.000 0.658 420 V HN 0.460 nan 8.190 nan 0.000 0.452 421 E N -0.153 119.971 120.200 -0.126 0.000 2.268 421 E HA -0.115 4.235 4.350 0.000 0.000 0.195 421 E C 2.042 178.553 176.600 -0.149 0.000 0.995 421 E CA 0.830 57.172 56.400 -0.098 0.000 0.836 421 E CB -0.069 29.599 29.700 -0.052 0.000 0.763 421 E HN 0.521 nan 8.360 nan 0.000 0.491 422 L N -0.701 120.365 121.223 -0.261 0.000 2.492 422 L HA 0.110 4.451 4.340 0.000 0.000 0.223 422 L C 1.127 177.915 176.870 -0.137 0.000 1.132 422 L CA 0.467 55.169 54.840 -0.230 0.000 0.850 422 L CB 0.200 42.049 42.059 -0.350 0.000 0.966 422 L HN 0.260 nan 8.230 nan 0.000 0.454 423 G N -0.296 108.426 108.800 -0.130 0.000 2.226 423 G HA2 -0.225 3.735 3.960 0.000 0.000 0.176 423 G HA3 -0.225 3.735 3.960 0.000 0.000 0.176 423 G C 0.665 175.514 174.900 -0.084 0.000 1.042 423 G CA 0.013 45.063 45.100 -0.084 0.000 0.732 423 G HN 0.414 nan 8.290 nan 0.000 0.494 424 C N -1.328 117.901 119.300 -0.118 0.000 2.481 424 C HA 0.401 4.861 4.460 0.000 0.000 0.275 424 C C 2.479 177.410 174.990 -0.098 0.000 1.419 424 C CA 0.886 59.841 59.018 -0.104 0.000 1.773 424 C CB -1.058 26.601 27.740 -0.135 0.000 1.862 424 C HN 0.531 nan 8.230 nan 0.000 0.530 425 I N 1.505 122.013 120.570 -0.103 0.000 2.252 425 I HA -0.130 4.040 4.170 0.000 0.000 0.245 425 I C 2.821 178.903 176.117 -0.057 0.000 1.102 425 I CA 1.709 62.952 61.300 -0.093 0.000 1.385 425 I CB -0.455 37.494 38.000 -0.085 0.000 1.064 425 I HN 0.244 nan 8.210 nan 0.000 0.414 426 K N 1.789 122.169 120.400 -0.034 0.000 1.991 426 K HA -0.148 4.172 4.320 0.000 0.000 0.212 426 K C -0.725 175.869 176.600 -0.010 0.000 1.049 426 K CA 1.951 58.233 56.287 -0.009 0.000 0.932 426 K CB -1.602 30.898 32.500 -0.000 0.000 0.717 426 K HN 0.100 nan 8.250 nan 0.000 0.441 427 P HA -0.153 nan 4.420 nan 0.000 0.216 427 P C 1.245 178.528 177.300 -0.029 0.000 1.150 427 P CA 0.959 64.050 63.100 -0.015 0.000 0.843 427 P CB 0.019 31.709 31.700 -0.017 0.000 0.787 428 L N -0.916 120.275 121.223 -0.052 0.000 2.109 428 L HA -0.101 4.239 4.340 0.000 0.000 0.207 428 L C 2.591 179.406 176.870 -0.092 0.000 1.086 428 L CA 1.537 56.330 54.840 -0.079 0.000 0.760 428 L CB -1.516 40.482 42.059 -0.102 0.000 0.910 428 L HN 0.014 nan 8.230 nan 0.000 0.437 429 C N -0.620 118.631 119.300 -0.083 0.000 2.446 429 C HA -0.118 4.343 4.460 0.000 0.000 0.277 429 C C 2.332 177.323 174.990 0.002 0.000 1.275 429 C CA 0.402 59.359 59.018 -0.102 0.000 1.727 429 C CB -0.760 26.960 27.740 -0.033 0.000 2.010 429 C HN 0.515 nan 8.230 nan 0.000 0.486 430 D N 0.911 121.332 120.400 0.034 0.000 2.221 430 D HA -0.099 4.541 4.640 0.000 0.000 0.204 430 D C 1.871 178.200 176.300 0.048 0.000 0.982 430 D CA 1.001 55.035 54.000 0.057 0.000 0.857 430 D CB -0.396 40.428 40.800 0.040 0.000 0.934 430 D HN 0.464 nan 8.370 nan 0.000 0.475 431 L N 0.042 121.273 121.223 0.014 0.000 2.376 431 L HA -0.040 4.301 4.340 0.000 0.000 0.219 431 L C 2.118 178.999 176.870 0.018 0.000 1.133 431 L CA 0.189 55.039 54.840 0.017 0.000 0.816 431 L CB -0.119 41.928 42.059 -0.019 0.000 0.933 431 L HN 0.050 nan 8.230 nan 0.000 0.449 432 L N -0.529 120.695 121.223 0.002 0.000 2.362 432 L HA -0.114 4.226 4.340 0.000 0.000 0.219 432 L C 2.267 179.191 176.870 0.090 0.000 1.134 432 L CA 1.392 56.236 54.840 0.008 0.000 0.807 432 L CB -0.699 41.296 42.059 -0.106 0.000 0.927 432 L HN 0.412 nan 8.230 nan 0.000 0.447 433 T N -4.614 110.001 114.554 0.103 0.000 3.069 433 T HA 0.197 4.547 4.350 0.000 0.000 0.252 433 T C 0.567 175.302 174.700 0.058 0.000 1.053 433 T CA -0.238 61.913 62.100 0.085 0.000 0.964 433 T CB -0.079 68.838 68.868 0.081 0.000 1.005 433 T HN -0.086 nan 8.240 nan 0.000 0.532 434 V N 3.260 123.213 119.914 0.066 0.000 2.686 434 V HA 0.276 4.396 4.120 0.000 0.000 0.295 434 V C 0.696 176.820 176.094 0.050 0.000 1.055 434 V CA -0.490 61.851 62.300 0.070 0.000 1.050 434 V CB 0.959 32.861 31.823 0.131 0.000 0.984 434 V HN 0.477 nan 8.190 nan 0.000 0.482 435 M N 4.576 124.181 119.600 0.008 0.000 3.586 435 M HA 0.330 4.810 4.480 0.000 0.000 0.225 435 M C -0.356 175.928 176.300 -0.027 0.000 1.428 435 M CA -0.050 55.244 55.300 -0.009 0.000 1.613 435 M CB -1.156 31.425 32.600 -0.032 0.000 1.063 435 M HN 0.684 nan 8.290 nan 0.000 0.593 436 D N -0.704 119.719 120.400 0.037 0.000 2.613 436 D HA 0.184 4.824 4.640 0.000 0.000 0.230 436 D C 0.822 177.181 176.300 0.098 0.000 1.365 436 D CA -0.102 53.945 54.000 0.078 0.000 0.976 436 D CB 1.388 42.308 40.800 0.201 0.000 1.415 436 D HN 0.257 nan 8.370 nan 0.000 0.589 437 S N 3.582 119.324 115.700 0.069 0.000 2.423 437 S HA -0.158 4.312 4.470 0.000 0.000 0.231 437 S C 1.435 176.062 174.600 0.046 0.000 1.014 437 S CA 0.810 59.038 58.200 0.048 0.000 0.965 437 S CB -0.089 63.131 63.200 0.035 0.000 0.785 437 S HN 0.482 nan 8.310 nan 0.000 0.495 438 K N 0.571 121.021 120.400 0.083 0.000 2.062 438 K HA 0.164 4.484 4.320 0.000 0.000 0.205 438 K C 2.096 178.711 176.600 0.025 0.000 1.051 438 K CA 1.386 57.724 56.287 0.084 0.000 0.941 438 K CB -0.347 32.244 32.500 0.152 0.000 0.719 438 K HN 0.411 nan 8.250 nan 0.000 0.440 439 I N 0.877 121.482 120.570 0.057 0.000 2.439 439 I HA -0.214 3.956 4.170 0.000 0.000 0.251 439 I C 1.804 177.879 176.117 -0.070 0.000 1.139 439 I CA 0.718 62.004 61.300 -0.024 0.000 1.438 439 I CB 0.247 38.280 38.000 0.056 0.000 1.085 439 I HN -0.102 nan 8.210 nan 0.000 0.427 440 V N 0.584 120.485 119.914 -0.022 0.000 2.358 440 V HA -0.263 3.857 4.120 0.000 0.000 0.246 440 V C 2.453 178.492 176.094 -0.092 0.000 1.047 440 V CA 1.541 63.814 62.300 -0.046 0.000 1.035 440 V CB -0.832 30.986 31.823 -0.008 0.000 0.658 440 V HN 0.447 nan 8.190 nan 0.000 0.452 441 Q N -0.133 119.614 119.800 -0.088 0.000 2.077 441 Q HA -0.189 4.152 4.340 0.000 0.000 0.206 441 Q C 2.415 178.291 176.000 -0.208 0.000 0.989 441 Q CA 1.916 57.649 55.803 -0.117 0.000 0.853 441 Q CB -0.625 28.063 28.738 -0.083 0.000 0.907 441 Q HN 0.571 nan 8.270 nan 0.000 0.418 442 V N 0.867 120.591 119.914 -0.316 0.000 2.358 442 V HA -0.240 3.880 4.120 0.000 0.000 0.246 442 V C 2.390 178.281 176.094 -0.339 0.000 1.047 442 V CA 1.704 63.693 62.300 -0.519 0.000 1.035 442 V CB -1.048 30.248 31.823 -0.879 0.000 0.658 442 V HN 0.340 nan 8.190 nan 0.000 0.452 443 A N -0.425 122.250 122.820 -0.242 0.000 1.877 443 A HA -0.151 4.169 4.320 0.000 0.000 0.216 443 A C 2.247 179.729 177.584 -0.169 0.000 1.186 443 A CA 1.717 53.645 52.037 -0.182 0.000 0.620 443 A CB -0.554 18.362 19.000 -0.140 0.000 0.822 443 A HN 0.471 nan 8.150 nan 0.000 0.443 444 L N -0.118 121.011 121.223 -0.157 0.000 2.046 444 L HA -0.224 4.116 4.340 0.000 0.000 0.208 444 L C 2.640 179.433 176.870 -0.127 0.000 1.077 444 L CA 1.611 56.369 54.840 -0.138 0.000 0.747 444 L CB -0.515 41.478 42.059 -0.110 0.000 0.896 444 L HN 0.603 nan 8.230 nan 0.000 0.432 445 N N 0.074 118.688 118.700 -0.143 0.000 2.166 445 N HA -0.163 4.577 4.740 0.000 0.000 0.186 445 N C 1.747 177.187 175.510 -0.116 0.000 1.019 445 N CA 1.499 54.475 53.050 -0.125 0.000 0.856 445 N CB 0.026 38.424 38.487 -0.149 0.000 0.993 445 N HN 0.362 nan 8.380 nan 0.000 0.426 446 G N 1.450 110.167 108.800 -0.139 0.000 2.402 446 G HA2 -0.120 3.840 3.960 0.000 0.000 0.216 446 G HA3 -0.120 3.840 3.960 0.000 0.000 0.216 446 G C 1.803 176.630 174.900 -0.121 0.000 1.162 446 G CA 0.223 45.249 45.100 -0.123 0.000 0.777 446 G HN 0.232 nan 8.290 nan 0.000 0.539 447 L N 0.227 121.373 121.223 -0.127 0.000 2.046 447 L HA -0.082 4.258 4.340 0.000 0.000 0.208 447 L C 2.755 179.574 176.870 -0.086 0.000 1.077 447 L CA 1.654 56.422 54.840 -0.120 0.000 0.747 447 L CB -0.405 41.572 42.059 -0.137 0.000 0.896 447 L HN 0.377 nan 8.230 nan 0.000 0.432 448 E N 0.412 120.567 120.200 -0.077 0.000 2.085 448 E HA -0.243 4.107 4.350 0.000 0.000 0.194 448 E C 1.931 178.509 176.600 -0.036 0.000 0.994 448 E CA 1.492 57.863 56.400 -0.049 0.000 0.801 448 E CB 0.105 29.777 29.700 -0.047 0.000 0.743 448 E HN 0.458 nan 8.360 nan 0.000 0.453 449 N N 0.565 119.236 118.700 -0.050 0.000 2.142 449 N HA -0.137 4.603 4.740 0.000 0.000 0.186 449 N C 2.047 177.534 175.510 -0.040 0.000 1.023 449 N CA 1.163 54.190 53.050 -0.039 0.000 0.852 449 N CB -0.286 38.173 38.487 -0.046 0.000 0.998 449 N HN 0.284 nan 8.380 nan 0.000 0.424 450 I N 1.214 121.734 120.570 -0.085 0.000 2.163 450 I HA -0.260 3.910 4.170 0.000 0.000 0.243 450 I C 2.182 178.320 176.117 0.035 0.000 1.085 450 I CA 0.967 62.183 61.300 -0.140 0.000 1.347 450 I CB -0.240 37.581 38.000 -0.298 0.000 1.044 450 I HN 0.056 nan 8.210 nan 0.000 0.408 451 L N 0.049 121.305 121.223 0.054 0.000 2.083 451 L HA -0.224 4.116 4.340 0.000 0.000 0.209 451 L C 2.790 179.720 176.870 0.101 0.000 1.083 451 L CA 1.260 56.173 54.840 0.122 0.000 0.752 451 L CB -0.519 41.573 42.059 0.055 0.000 0.899 451 L HN 0.221 nan 8.230 nan 0.000 0.433 452 R N 0.450 120.984 120.500 0.056 0.000 2.081 452 R HA -0.174 4.166 4.340 0.000 0.000 0.235 452 R C 2.263 178.596 176.300 0.055 0.000 1.131 452 R CA 1.458 57.582 56.100 0.040 0.000 0.960 452 R CB -0.215 30.097 30.300 0.019 0.000 0.856 452 R HN 0.324 nan 8.270 nan 0.000 0.436 453 L N -0.495 120.778 121.223 0.083 0.000 2.217 453 L HA 0.003 4.343 4.340 0.000 0.000 0.211 453 L C 2.480 179.433 176.870 0.138 0.000 1.107 453 L CA 1.008 55.910 54.840 0.103 0.000 0.783 453 L CB -0.436 41.687 42.059 0.107 0.000 0.919 453 L HN 0.387 nan 8.230 nan 0.000 0.442 454 G N -0.540 108.385 108.800 0.208 0.000 2.470 454 G HA2 -0.200 3.760 3.960 0.000 0.000 0.220 454 G HA3 -0.200 3.760 3.960 0.000 0.000 0.220 454 G C 1.477 176.350 174.900 -0.044 0.000 1.121 454 G CA 0.358 45.468 45.100 0.017 0.000 0.766 454 G HN 0.291 nan 8.290 nan 0.000 0.553 455 E N 0.472 120.675 120.200 0.006 0.000 2.107 455 E HA -0.077 4.273 4.350 0.000 0.000 0.191 455 E C 2.586 179.178 176.600 -0.013 0.000 0.982 455 E CA 0.539 56.933 56.400 -0.010 0.000 0.809 455 E CB -0.269 29.433 29.700 0.003 0.000 0.756 455 E HN 0.562 nan 8.360 nan 0.000 0.459 456 Q N 0.519 120.320 119.800 0.001 0.000 2.096 456 Q HA -0.156 4.184 4.340 0.000 0.000 0.204 456 Q C 1.890 177.881 176.000 -0.016 0.000 0.982 456 Q CA 1.065 56.867 55.803 -0.001 0.000 0.850 456 Q CB 0.027 28.773 28.738 0.014 0.000 0.901 456 Q HN 0.289 nan 8.270 nan 0.000 0.422 457 E N 0.004 120.184 120.200 -0.033 0.000 2.285 457 E HA -0.057 4.293 4.350 0.000 0.000 0.194 457 E C 1.544 178.101 176.600 -0.072 0.000 0.997 457 E CA 0.748 57.112 56.400 -0.060 0.000 0.845 457 E CB 0.064 29.698 29.700 -0.111 0.000 0.782 457 E HN 0.278 nan 8.360 nan 0.000 0.491 458 A N 0.979 123.757 122.820 -0.070 0.000 2.235 458 A HA -0.036 4.284 4.320 0.000 0.000 0.208 458 A C 1.778 179.339 177.584 -0.039 0.000 1.172 458 A CA 0.711 52.712 52.037 -0.061 0.000 0.786 458 A CB 0.035 19.000 19.000 -0.059 0.000 0.804 458 A HN 0.013 nan 8.150 nan 0.000 0.479 459 K N -1.466 118.915 120.400 -0.031 0.000 2.436 459 K HA 0.207 4.528 4.320 0.000 0.000 0.198 459 K C 1.904 178.492 176.600 -0.020 0.000 1.174 459 K CA -0.089 56.184 56.287 -0.022 0.000 0.951 459 K CB 0.243 32.734 32.500 -0.016 0.000 1.040 459 K HN 0.230 nan 8.250 nan 0.000 0.536 460 R N 0.956 121.443 120.500 -0.021 0.000 2.105 460 R HA -0.010 4.330 4.340 0.000 0.000 0.239 460 R C 1.242 177.530 176.300 -0.021 0.000 1.135 460 R CA 1.253 57.342 56.100 -0.018 0.000 0.967 460 R CB -0.023 30.267 30.300 -0.017 0.000 0.861 460 R HN 0.157 nan 8.270 nan 0.000 0.442 461 N N -1.317 117.366 118.700 -0.028 0.000 2.282 461 N HA 0.034 4.774 4.740 0.000 0.000 0.185 461 N C 0.948 176.443 175.510 -0.026 0.000 1.099 461 N CA 0.950 53.983 53.050 -0.028 0.000 0.878 461 N CB 1.336 39.800 38.487 -0.038 0.000 0.993 461 N HN 0.350 nan 8.380 nan 0.000 0.481 462 G N 0.934 109.719 108.800 -0.025 0.000 2.189 462 G HA2 -0.365 3.595 3.960 0.000 0.000 0.267 462 G HA3 -0.365 3.595 3.960 0.000 0.000 0.267 462 G C 1.199 176.086 174.900 -0.022 0.000 0.975 462 G CA 1.467 46.554 45.100 -0.021 0.000 0.644 462 G HN 0.475 nan 8.290 nan 0.000 0.537 463 T N -2.465 112.073 114.554 -0.027 0.000 2.985 463 T HA 0.347 4.697 4.350 0.000 0.000 0.266 463 T C 2.634 177.319 174.700 -0.026 0.000 1.076 463 T CA 1.739 63.823 62.100 -0.027 0.000 1.135 463 T CB -0.162 68.687 68.868 -0.032 0.000 0.890 463 T HN 2.217 nan 8.240 nan 0.000 0.480 464 G N 1.324 110.106 108.800 -0.029 0.000 2.148 464 G HA2 -0.207 3.753 3.960 0.000 0.000 0.254 464 G HA3 -0.207 3.753 3.960 0.000 0.000 0.254 464 G C 0.011 174.892 174.900 -0.032 0.000 0.981 464 G CA 0.176 45.259 45.100 -0.027 0.000 0.670 464 G HN 0.667 nan 8.290 nan 0.000 0.528 465 I N 1.111 121.656 120.570 -0.041 0.000 2.330 465 I HA 0.222 4.392 4.170 0.000 0.000 0.289 465 I C 0.185 176.257 176.117 -0.076 0.000 1.001 465 I CA -0.971 60.300 61.300 -0.048 0.000 1.193 465 I CB 1.288 39.261 38.000 -0.045 0.000 1.345 465 I HN 0.055 nan 8.210 nan 0.000 0.461 466 N N 9.423 128.079 118.700 -0.073 0.000 2.452 466 N HA 0.125 4.865 4.740 0.000 0.000 0.266 466 N C -1.525 173.886 175.510 -0.165 0.000 1.175 466 N CA -1.574 51.408 53.050 -0.113 0.000 0.945 466 N CB 1.379 39.835 38.487 -0.051 0.000 1.063 466 N HN 0.339 nan 8.380 nan 0.000 0.472 467 P HA -0.080 nan 4.420 nan 0.000 0.223 467 P C 0.291 177.455 177.300 -0.225 0.000 1.151 467 P CA 1.175 64.076 63.100 -0.332 0.000 0.787 467 P CB 0.050 31.447 31.700 -0.505 0.000 0.788 468 Y N -1.516 118.777 120.300 -0.012 0.000 2.490 468 Y HA 0.082 4.632 4.550 0.000 0.000 0.281 468 Y C 2.587 178.482 175.900 -0.009 0.000 1.174 468 Y CA -0.801 57.290 58.100 -0.015 0.000 1.295 468 Y CB -1.609 36.837 38.460 -0.023 0.000 1.062 468 Y HN 0.013 nan 8.280 nan 0.000 0.522 469 C N 0.070 119.424 119.300 0.091 0.000 2.442 469 C HA -0.154 4.306 4.460 0.000 0.000 0.279 469 C C 3.032 178.058 174.990 0.060 0.000 1.237 469 C CA 1.495 60.550 59.018 0.062 0.000 1.722 469 C CB -1.267 26.491 27.740 0.029 0.000 2.056 469 C HN 0.630 nan 8.230 nan 0.000 0.469 470 A N 0.125 122.971 122.820 0.043 0.000 1.933 470 A HA -0.112 4.209 4.320 0.000 0.000 0.218 470 A C 2.099 179.717 177.584 0.057 0.000 1.175 470 A CA 1.523 53.585 52.037 0.041 0.000 0.628 470 A CB -0.608 18.405 19.000 0.022 0.000 0.814 470 A HN 0.644 nan 8.150 nan 0.000 0.444 471 L N -0.783 120.486 121.223 0.078 0.000 2.056 471 L HA -0.142 4.198 4.340 0.000 0.000 0.207 471 L C 2.479 179.391 176.870 0.069 0.000 1.078 471 L CA 1.182 56.070 54.840 0.079 0.000 0.749 471 L CB -0.494 41.634 42.059 0.114 0.000 0.901 471 L HN 0.357 nan 8.230 nan 0.000 0.433 472 I N -0.321 120.293 120.570 0.074 0.000 2.226 472 I HA -0.288 3.882 4.170 0.000 0.000 0.245 472 I C 2.541 178.723 176.117 0.109 0.000 1.100 472 I CA 1.302 62.641 61.300 0.064 0.000 1.374 472 I CB -0.249 37.776 38.000 0.042 0.000 1.057 472 I HN 0.311 nan 8.210 nan 0.000 0.413 473 E N 0.486 120.746 120.200 0.100 0.000 2.058 473 E HA -0.244 4.106 4.350 0.000 0.000 0.194 473 E C 2.130 178.781 176.600 0.085 0.000 0.997 473 E CA 1.098 57.558 56.400 0.101 0.000 0.801 473 E CB 0.072 29.814 29.700 0.070 0.000 0.746 473 E HN 0.341 nan 8.360 nan 0.000 0.450 474 E N -0.036 120.203 120.200 0.066 0.000 2.085 474 E HA -0.187 4.163 4.350 0.000 0.000 0.194 474 E C 1.850 178.487 176.600 0.061 0.000 0.994 474 E CA 1.110 57.541 56.400 0.052 0.000 0.801 474 E CB -0.179 29.546 29.700 0.041 0.000 0.743 474 E HN 0.265 nan 8.360 nan 0.000 0.453 475 A N -0.259 122.610 122.820 0.081 0.000 1.898 475 A HA -0.136 4.184 4.320 0.000 0.000 0.214 475 A C 2.032 179.708 177.584 0.154 0.000 1.183 475 A CA 1.066 53.156 52.037 0.088 0.000 0.622 475 A CB -0.421 18.617 19.000 0.063 0.000 0.824 475 A HN 0.270 nan 8.150 nan 0.000 0.444 476 Y N -0.353 119.950 120.300 0.005 0.000 2.389 476 Y HA 0.376 4.926 4.550 0.000 0.000 0.292 476 Y C 1.023 176.928 175.900 0.007 0.000 1.117 476 Y CA 0.575 58.678 58.100 0.005 0.000 1.195 476 Y CB 0.066 38.531 38.460 0.009 0.000 1.076 476 Y HN 0.579 nan 8.280 nan 0.000 0.548 477 G N -0.078 108.732 108.800 0.016 0.000 2.742 477 G HA2 -0.141 3.819 3.960 0.000 0.000 0.686 477 G HA3 -0.141 3.819 3.960 0.000 0.000 0.686 477 G C -0.270 174.596 174.900 -0.056 0.000 1.220 477 G CA -0.264 44.797 45.100 -0.064 0.000 0.783 477 G HN 0.351 nan 8.290 nan 0.000 0.646 478 L N 0.795 122.004 121.223 -0.023 0.000 2.141 478 L HA 0.095 4.436 4.340 0.000 0.000 0.209 478 L C 2.359 179.222 176.870 -0.012 0.000 1.094 478 L CA 2.768 57.607 54.840 -0.001 0.000 0.763 478 L CB -0.457 41.606 42.059 0.006 0.000 0.908 478 L HN 0.700 nan 8.230 nan 0.000 0.437 479 D N -0.164 120.210 120.400 -0.043 0.000 2.092 479 D HA -0.239 4.401 4.640 0.000 0.000 0.193 479 D C 1.944 178.222 176.300 -0.036 0.000 0.994 479 D CA 1.621 55.598 54.000 -0.038 0.000 0.828 479 D CB -0.038 40.718 40.800 -0.073 0.000 0.963 479 D HN 0.441 nan 8.370 nan 0.000 0.450 480 K N 0.181 120.486 120.400 -0.157 0.000 2.103 480 K HA -0.044 4.276 4.320 0.000 0.000 0.204 480 K C 2.243 178.848 176.600 0.010 0.000 1.052 480 K CA 0.341 56.492 56.287 -0.226 0.000 0.945 480 K CB 0.188 32.185 32.500 -0.838 0.000 0.722 480 K HN 0.101 nan 8.250 nan 0.000 0.443 481 I N 1.917 122.510 120.570 0.039 0.000 2.252 481 I HA -0.212 3.958 4.170 0.000 0.000 0.245 481 I C 2.005 178.187 176.117 0.107 0.000 1.102 481 I CA 1.584 62.966 61.300 0.137 0.000 1.385 481 I CB -0.880 37.194 38.000 0.123 0.000 1.064 481 I HN 0.243 nan 8.210 nan 0.000 0.414 482 E N 0.153 120.403 120.200 0.084 0.000 2.077 482 E HA -0.257 4.093 4.350 0.000 0.000 0.193 482 E C 2.158 178.818 176.600 0.099 0.000 0.989 482 E CA 1.136 57.581 56.400 0.075 0.000 0.800 482 E CB -0.305 29.433 29.700 0.062 0.000 0.746 482 E HN 0.381 nan 8.360 nan 0.000 0.452 483 F N 1.495 121.443 119.950 -0.003 0.000 2.095 483 F HA -0.205 4.322 4.527 0.000 0.000 0.298 483 F C 1.875 177.683 175.800 0.012 0.000 1.104 483 F CA 1.425 59.426 58.000 0.001 0.000 1.232 483 F CB -0.094 38.893 39.000 -0.022 0.000 0.987 483 F HN -0.090 nan 8.300 nan 0.000 0.475 484 L N -0.272 120.970 121.223 0.031 0.000 2.395 484 L HA -0.109 4.231 4.340 0.000 0.000 0.218 484 L C 2.247 179.085 176.870 -0.054 0.000 1.130 484 L CA 0.714 55.521 54.840 -0.055 0.000 0.826 484 L CB -0.643 41.490 42.059 0.123 0.000 0.941 484 L HN 0.237 nan 8.230 nan 0.000 0.451 485 Q N -0.705 119.085 119.800 -0.017 0.000 2.378 485 Q HA -0.035 4.305 4.340 0.000 0.000 0.205 485 Q C 0.987 176.978 176.000 -0.015 0.000 0.954 485 Q CA 0.182 55.984 55.803 -0.002 0.000 0.901 485 Q CB 0.247 28.995 28.738 0.017 0.000 0.981 485 Q HN 0.232 nan 8.270 nan 0.000 0.483 486 S N -0.093 115.565 115.700 -0.069 0.000 2.430 486 S HA -0.012 4.458 4.470 0.000 0.000 0.282 486 S C 0.547 175.127 174.600 -0.033 0.000 1.186 486 S CA -0.409 57.755 58.200 -0.059 0.000 1.060 486 S CB 0.579 63.707 63.200 -0.120 0.000 0.966 486 S HN 0.317 nan 8.310 nan 0.000 0.501 487 H N 4.191 123.223 119.070 -0.064 0.000 2.457 487 H HA 0.060 4.617 4.556 0.000 0.000 0.294 487 H C 1.657 176.965 175.328 -0.034 0.000 1.064 487 H CA 2.126 58.148 56.048 -0.044 0.000 1.330 487 H CB 0.271 30.019 29.762 -0.023 0.000 1.395 487 H HN 0.806 nan 8.280 nan 0.000 0.541 488 E N -0.334 119.825 120.200 -0.068 0.000 2.072 488 E HA -0.151 4.199 4.350 0.000 0.000 0.191 488 E C 1.812 178.352 176.600 -0.099 0.000 0.985 488 E CA 0.904 57.248 56.400 -0.093 0.000 0.801 488 E CB 0.071 29.753 29.700 -0.031 0.000 0.750 488 E HN 0.497 nan 8.360 nan 0.000 0.452 489 N N 1.090 119.723 118.700 -0.112 0.000 2.104 489 N HA -0.219 4.521 4.740 0.000 0.000 0.190 489 N C 1.761 177.249 175.510 -0.037 0.000 1.024 489 N CA 1.051 54.036 53.050 -0.108 0.000 0.853 489 N CB -0.334 37.883 38.487 -0.449 0.000 1.008 489 N HN 0.247 nan 8.380 nan 0.000 0.424 490 Q N 0.856 120.574 119.800 -0.136 0.000 2.135 490 Q HA -0.133 4.207 4.340 0.000 0.000 0.204 490 Q C 1.418 177.383 176.000 -0.058 0.000 0.981 490 Q CA 1.392 57.144 55.803 -0.084 0.000 0.856 490 Q CB 0.065 28.742 28.738 -0.100 0.000 0.902 490 Q HN 0.449 nan 8.270 nan 0.000 0.425 491 E N 0.075 120.167 120.200 -0.179 0.000 2.107 491 E HA -0.136 4.215 4.350 0.000 0.000 0.191 491 E C 2.023 178.603 176.600 -0.032 0.000 0.982 491 E CA 1.028 57.347 56.400 -0.135 0.000 0.809 491 E CB -0.010 29.573 29.700 -0.195 0.000 0.756 491 E HN 0.429 nan 8.360 nan 0.000 0.459 492 I N 0.220 120.779 120.570 -0.018 0.000 2.142 492 I HA -0.300 3.870 4.170 0.000 0.000 0.240 492 I C 2.019 178.092 176.117 -0.073 0.000 1.078 492 I CA 1.314 62.587 61.300 -0.045 0.000 1.343 492 I CB -0.242 37.726 38.000 -0.054 0.000 1.046 492 I HN 0.119 nan 8.210 nan 0.000 0.405 493 Y N 0.571 120.855 120.300 -0.026 0.000 2.181 493 Y HA -0.322 4.228 4.550 0.000 0.000 0.288 493 Y C 2.767 178.743 175.900 0.127 0.000 1.146 493 Y CA 1.916 60.010 58.100 -0.011 0.000 1.164 493 Y CB -0.587 37.949 38.460 0.126 0.000 0.982 493 Y HN 0.204 nan 8.280 nan 0.000 0.515 494 Q N 1.128 121.106 119.800 0.297 0.000 2.061 494 Q HA -0.275 4.065 4.340 0.000 0.000 0.204 494 Q C 2.158 178.267 176.000 0.183 0.000 0.984 494 Q CA 2.430 58.387 55.803 0.258 0.000 0.846 494 Q CB -0.224 28.596 28.738 0.138 0.000 0.902 494 Q HN 0.324 nan 8.270 nan 0.000 0.421 495 K N -0.396 120.055 120.400 0.085 0.000 2.057 495 K HA -0.066 4.254 4.320 0.000 0.000 0.207 495 K C 1.886 178.508 176.600 0.035 0.000 1.049 495 K CA 1.493 57.810 56.287 0.050 0.000 0.931 495 K CB -0.599 31.907 32.500 0.010 0.000 0.714 495 K HN 0.293 nan 8.250 nan 0.000 0.440 496 A N 0.120 122.905 122.820 -0.058 0.000 1.877 496 A HA -0.070 4.250 4.320 0.000 0.000 0.216 496 A C 2.097 179.629 177.584 -0.086 0.000 1.186 496 A CA 1.436 53.382 52.037 -0.153 0.000 0.620 496 A CB -0.925 17.845 19.000 -0.383 0.000 0.822 496 A HN 0.398 nan 8.150 nan 0.000 0.443 497 F N 0.348 120.327 119.950 0.047 0.000 2.075 497 F HA -0.217 4.310 4.527 0.000 0.000 0.297 497 F C 2.319 178.171 175.800 0.086 0.000 1.113 497 F CA 1.402 59.445 58.000 0.072 0.000 1.218 497 F CB -0.240 38.816 39.000 0.092 0.000 0.984 497 F HN 0.186 nan 8.300 nan 0.000 0.472 498 D N 0.243 120.808 120.400 0.274 0.000 2.123 498 D HA -0.184 4.457 4.640 0.000 0.000 0.196 498 D C 2.137 178.558 176.300 0.201 0.000 0.992 498 D CA 1.127 55.240 54.000 0.188 0.000 0.833 498 D CB -0.563 40.311 40.800 0.124 0.000 0.954 498 D HN 0.146 nan 8.370 nan 0.000 0.455 499 L N 0.540 121.887 121.223 0.207 0.000 2.027 499 L HA -0.117 4.223 4.340 0.000 0.000 0.206 499 L C 2.059 179.182 176.870 0.423 0.000 1.074 499 L CA 1.200 56.223 54.840 0.306 0.000 0.745 499 L CB -0.363 41.831 42.059 0.224 0.000 0.898 499 L HN -0.054 nan 8.230 nan 0.000 0.433 500 I N -0.179 120.573 120.570 0.303 0.000 2.252 500 I HA -0.227 3.943 4.170 0.000 0.000 0.245 500 I C 2.488 178.838 176.117 0.387 0.000 1.102 500 I CA 1.226 62.731 61.300 0.341 0.000 1.385 500 I CB -1.289 36.728 38.000 0.029 0.000 1.064 500 I HN 0.401 nan 8.210 nan 0.000 0.414 501 E N -0.521 119.846 120.200 0.277 0.000 2.118 501 E HA -0.286 4.064 4.350 0.000 0.000 0.195 501 E C 2.114 178.827 176.600 0.189 0.000 0.992 501 E CA 1.375 57.908 56.400 0.222 0.000 0.804 501 E CB -0.246 29.566 29.700 0.186 0.000 0.741 501 E HN 0.560 nan 8.360 nan 0.000 0.458 502 H N -0.751 118.365 119.070 0.078 0.000 2.363 502 H HA -0.089 4.468 4.556 0.000 0.000 0.301 502 H C 1.252 176.459 175.328 -0.201 0.000 1.074 502 H CA 1.581 57.562 56.048 -0.111 0.000 1.354 502 H CB 0.037 29.646 29.762 -0.256 0.000 1.397 502 H HN 0.155 nan 8.280 nan 0.000 0.516 503 Y N -1.923 118.413 120.300 0.060 0.000 2.503 503 Y HA 0.095 4.646 4.550 0.000 0.000 0.278 503 Y C 0.956 176.668 175.900 -0.313 0.000 1.111 503 Y CA 0.197 58.201 58.100 -0.159 0.000 1.270 503 Y CB 0.393 38.776 38.460 -0.128 0.000 1.063 503 Y HN 0.165 nan 8.280 nan 0.000 0.548 504 F N -0.688 119.328 119.950 0.109 0.000 2.706 504 F HA 0.467 4.994 4.527 0.000 0.000 0.308 504 F C 1.197 177.015 175.800 0.029 0.000 1.095 504 F CA 0.248 58.287 58.000 0.065 0.000 1.244 504 F CB 0.368 39.412 39.000 0.074 0.000 1.063 504 F HN -0.076 nan 8.300 nan 0.000 0.582 505 G N 0.783 109.681 108.800 0.163 0.000 2.705 505 G HA2 -0.132 3.828 3.960 0.000 0.000 0.686 505 G HA3 -0.132 3.828 3.960 0.000 0.000 0.686 505 G C -0.425 174.544 174.900 0.115 0.000 1.285 505 G CA -0.833 44.321 45.100 0.090 0.000 0.800 505 G HN 0.040 nan 8.290 nan 0.000 0.611 506 T N 1.259 115.861 114.554 0.080 0.000 2.909 506 T HA 0.670 5.021 4.350 0.000 0.000 0.289 506 T C 0.388 175.127 174.700 0.065 0.000 1.005 506 T CA 0.494 62.642 62.100 0.079 0.000 1.084 506 T CB 1.852 70.757 68.868 0.061 0.000 0.975 506 T HN 0.822 nan 8.240 nan 0.000 0.509 507 E N 0.000 120.238 120.200 0.064 0.000 2.725 507 E HA 0.000 4.350 4.350 0.000 0.000 0.291 507 E CA 0.000 56.432 56.400 0.054 0.000 0.976 507 E CB 0.000 29.735 29.700 0.058 0.000 0.812 507 E HN 0.000 nan 8.360 nan 0.000 0.440