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 1rt8_1_A DATA FIRST_RESID 110 DATA SEQUENCE INEEERREFI KHINSVLAGD PDVGSRVPIN TETFEFFDQC KDGLILSKLI DATA SEQUENCE NDSVPDTIDE RVLNKQRXXX PLDNFKCIEN NNVVINSAKA MGGISITNIG DATA SEQUENCE AGDILEGREH LILGLVWQII RRGLLGKIXX XXXXXXXXXX XXXXTLDQFL DATA SEQUENCE RLPPEKILLR WFNYHLKAAN WPRTVSNFSK DVSDGENYTV LLNQLAPELC DATA SEQUENCE SRAPLQTTDV LQRAEQVLQN AEKLDCRKYL TPTAMVAGNP KLNLAFVAHL DATA SEQUENCE FNTHPGLEPX XXXXXXXXXX XXAEGEREAR VFTLWLNSLD VTPSIHDFFN DATA SEQUENCE NLRDGLILLQ AYDKITPNTV NWKKVNKAPA SGDEMMRFKA VENCNYAVDL DATA SEQUENCE GKNQGFSLVG IQGADITDGS RTLTLALVWQ MMRMNITKTL HSXXXXXXTL DATA SEQUENCE SDSDMVAWAN SMAAKGGKGS QIRSFRDPSI STGVFVLDVL HGIKSEYVDY DATA SEQUENCE NLVTDGSTEE LAIQNARLAI SIARKLGAVI FILPEDIVAV RPRLVLHFIG DATA SEQUENCE SLMAV 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 110 I HA 0.000 nan 4.170 nan 0.000 0.288 110 I C 0.000 176.129 176.117 0.020 0.000 1.063 110 I CA 0.000 61.328 61.300 0.046 0.000 1.566 110 I CB 0.000 37.880 38.000 -0.200 0.000 1.214 111 N N 4.893 123.595 118.700 0.004 0.000 2.442 111 N HA 0.057 4.797 4.740 0.001 0.000 0.265 111 N C 0.652 176.115 175.510 -0.079 0.000 1.138 111 N CA 0.292 53.314 53.050 -0.047 0.000 0.956 111 N CB 1.420 39.855 38.487 -0.087 0.000 1.067 111 N HN 0.506 nan 8.380 nan 0.000 0.474 112 E N 3.121 123.282 120.200 -0.064 0.000 2.049 112 E HA -0.214 4.136 4.350 0.001 0.000 0.198 112 E C 1.264 177.796 176.600 -0.114 0.000 1.007 112 E CA 1.720 58.080 56.400 -0.067 0.000 0.809 112 E CB 0.058 29.730 29.700 -0.046 0.000 0.749 112 E HN 0.700 nan 8.360 nan 0.000 0.450 113 E N 0.522 120.640 120.200 -0.137 0.000 2.047 113 E HA -0.183 4.167 4.350 0.001 0.000 0.191 113 E C 2.148 178.561 176.600 -0.313 0.000 0.987 113 E CA 0.945 57.239 56.400 -0.177 0.000 0.799 113 E CB -0.181 29.431 29.700 -0.147 0.000 0.752 113 E HN 0.395 nan 8.360 nan 0.000 0.449 114 E N 0.785 120.729 120.200 -0.426 0.000 2.070 114 E HA -0.236 4.115 4.350 0.001 0.000 0.197 114 E C 2.229 178.303 176.600 -0.877 0.000 1.004 114 E CA 1.128 56.990 56.400 -0.897 0.000 0.805 114 E CB -0.133 29.132 29.700 -0.725 0.000 0.744 114 E HN 0.086 nan 8.360 nan 0.000 0.451 115 R N 1.046 121.320 120.500 -0.377 0.000 2.083 115 R HA -0.178 4.163 4.340 0.001 0.000 0.237 115 R C 2.458 178.623 176.300 -0.225 0.000 1.137 115 R CA 1.708 57.690 56.100 -0.197 0.000 0.951 115 R CB -0.123 30.148 30.300 -0.049 0.000 0.851 115 R HN 0.011 nan 8.270 nan 0.000 0.434 116 R N 0.213 120.597 120.500 -0.194 0.000 2.082 116 R HA -0.152 4.189 4.340 0.001 0.000 0.234 116 R C 1.934 178.150 176.300 -0.140 0.000 1.136 116 R CA 1.931 57.941 56.100 -0.149 0.000 0.935 116 R CB -0.151 30.081 30.300 -0.113 0.000 0.842 116 R HN 0.247 nan 8.270 nan 0.000 0.430 117 E N 0.312 120.415 120.200 -0.162 0.000 2.077 117 E HA -0.198 4.153 4.350 0.001 0.000 0.193 117 E C 2.008 178.667 176.600 0.098 0.000 0.989 117 E CA 1.365 57.724 56.400 -0.068 0.000 0.800 117 E CB -0.480 29.183 29.700 -0.062 0.000 0.746 117 E HN 0.478 nan 8.360 nan 0.000 0.452 118 F N 0.722 120.656 119.950 -0.027 0.000 2.126 118 F HA -0.158 4.370 4.527 0.001 0.000 0.299 118 F C 2.480 178.199 175.800 -0.135 0.000 1.096 118 F CA 0.314 58.306 58.000 -0.012 0.000 1.255 118 F CB -0.262 38.713 39.000 -0.042 0.000 0.997 118 F HN -0.030 nan 8.300 nan 0.000 0.479 119 I N 0.281 120.771 120.570 -0.134 0.000 2.286 119 I HA -0.297 3.874 4.170 0.001 0.000 0.248 119 I C 2.205 178.251 176.117 -0.119 0.000 1.115 119 I CA 1.397 62.506 61.300 -0.317 0.000 1.392 119 I CB -0.439 37.315 38.000 -0.410 0.000 1.065 119 I HN 0.104 nan 8.210 nan 0.000 0.418 120 K N -0.272 120.088 120.400 -0.066 0.000 2.057 120 K HA -0.239 4.082 4.320 0.001 0.000 0.207 120 K C 2.240 178.812 176.600 -0.046 0.000 1.049 120 K CA 1.342 57.594 56.287 -0.059 0.000 0.931 120 K CB -0.459 32.001 32.500 -0.067 0.000 0.714 120 K HN 0.451 nan 8.250 nan 0.000 0.440 121 H N 1.336 120.358 119.070 -0.081 0.000 2.353 121 H HA -0.078 4.479 4.556 0.001 0.000 0.300 121 H C 1.908 177.221 175.328 -0.026 0.000 1.090 121 H CA 1.496 57.498 56.048 -0.078 0.000 1.327 121 H CB 0.030 29.798 29.762 0.011 0.000 1.383 121 H HN 0.139 nan 8.280 nan 0.000 0.508 122 I N 0.779 121.327 120.570 -0.036 0.000 2.394 122 I HA -0.259 3.911 4.170 0.001 0.000 0.251 122 I C 2.151 178.215 176.117 -0.087 0.000 1.136 122 I CA 1.096 62.361 61.300 -0.058 0.000 1.425 122 I CB -0.387 37.648 38.000 0.058 0.000 1.079 122 I HN 0.341 nan 8.210 nan 0.000 0.425 123 N N 0.425 119.078 118.700 -0.078 0.000 2.120 123 N HA -0.185 4.556 4.740 0.001 0.000 0.188 123 N C 2.021 177.479 175.510 -0.087 0.000 1.024 123 N CA 1.646 54.659 53.050 -0.061 0.000 0.852 123 N CB -0.059 38.397 38.487 -0.052 0.000 1.003 123 N HN 0.351 nan 8.380 nan 0.000 0.424 124 S N 0.325 115.946 115.700 -0.132 0.000 2.406 124 S HA -0.045 4.425 4.470 0.001 0.000 0.228 124 S C 2.050 176.563 174.600 -0.144 0.000 1.020 124 S CA 0.570 58.692 58.200 -0.130 0.000 0.965 124 S CB -0.444 62.670 63.200 -0.144 0.000 0.798 124 S HN 0.183 nan 8.310 nan 0.000 0.488 125 V N 1.367 121.150 119.914 -0.218 0.000 2.453 125 V HA 0.177 4.298 4.120 0.001 0.000 0.247 125 V C 1.931 177.970 176.094 -0.093 0.000 1.048 125 V CA 1.362 63.553 62.300 -0.181 0.000 1.049 125 V CB -0.420 31.239 31.823 -0.273 0.000 0.672 125 V HN 0.618 nan 8.190 nan 0.000 0.457 126 L N -0.057 121.121 121.223 -0.075 0.000 2.558 126 L HA 0.269 4.610 4.340 0.001 0.000 0.225 126 L C 2.454 179.306 176.870 -0.030 0.000 1.128 126 L CA 0.501 55.319 54.840 -0.035 0.000 0.868 126 L CB -0.957 41.095 42.059 -0.012 0.000 1.006 126 L HN 0.417 nan 8.230 nan 0.000 0.454 127 A N 1.572 124.367 122.820 -0.042 0.000 2.028 127 A HA -0.352 3.969 4.320 0.001 0.000 0.296 127 A C 1.711 179.283 177.584 -0.021 0.000 3.464 127 A CA 2.443 54.460 52.037 -0.033 0.000 1.008 127 A CB -1.580 17.397 19.000 -0.038 0.000 0.658 127 A HN 0.474 nan 8.150 nan 0.000 0.482 128 G N -0.833 107.956 108.800 -0.019 0.000 4.644 128 G HA2 0.413 4.374 3.960 0.001 0.000 0.307 128 G HA3 0.413 4.374 3.960 0.001 0.000 0.307 128 G C -0.343 174.550 174.900 -0.012 0.000 1.331 128 G CA 0.579 45.671 45.100 -0.013 0.000 1.059 128 G HN 0.634 nan 8.290 nan 0.000 0.590 129 D N 1.147 121.540 120.400 -0.011 0.000 2.383 129 D HA 0.106 4.747 4.640 0.001 0.000 0.252 129 D C -1.211 175.085 176.300 -0.007 0.000 1.166 129 D CA -1.446 52.549 54.000 -0.009 0.000 0.879 129 D CB 2.226 43.021 40.800 -0.009 0.000 1.164 129 D HN 0.000 nan 8.370 nan 0.000 0.462 130 P HA -0.137 nan 4.420 nan 0.000 0.217 130 P C 0.594 177.892 177.300 -0.004 0.000 1.151 130 P CA 1.082 64.179 63.100 -0.005 0.000 0.849 130 P CB 0.364 32.060 31.700 -0.006 0.000 0.787 131 D N -1.504 118.893 120.400 -0.005 0.000 2.201 131 D HA 0.004 4.645 4.640 0.001 0.000 0.209 131 D C 1.323 177.622 176.300 -0.002 0.000 0.961 131 D CA 1.078 55.076 54.000 -0.004 0.000 0.861 131 D CB 0.178 40.974 40.800 -0.006 0.000 0.997 131 D HN 0.072 nan 8.370 nan 0.000 0.486 132 V N 0.790 120.704 119.914 -0.001 0.000 3.319 132 V HA 0.189 4.310 4.120 0.001 0.000 0.317 132 V C 2.071 178.167 176.094 0.004 0.000 1.411 132 V CA 0.304 62.605 62.300 0.003 0.000 1.112 132 V CB 0.612 32.438 31.823 0.006 0.000 1.031 132 V HN 0.105 nan 8.190 nan 0.000 0.448 133 G N 1.542 110.342 108.800 0.001 0.000 2.442 133 G HA2 -0.259 3.702 3.960 0.001 0.000 0.219 133 G HA3 -0.259 3.702 3.960 0.001 0.000 0.219 133 G C 1.654 176.556 174.900 0.003 0.000 1.141 133 G CA 1.320 46.420 45.100 0.000 0.000 0.763 133 G HN 0.688 nan 8.290 nan 0.000 0.554 134 S N 0.286 115.988 115.700 0.004 0.000 2.584 134 S HA -0.010 4.460 4.470 0.001 0.000 0.240 134 S C 1.623 176.229 174.600 0.009 0.000 0.975 134 S CA 1.102 59.306 58.200 0.006 0.000 0.949 134 S CB -0.210 62.993 63.200 0.005 0.000 0.761 134 S HN 0.757 nan 8.310 nan 0.000 0.536 135 R N -1.350 119.158 120.500 0.012 0.000 2.471 135 R HA 0.312 4.653 4.340 0.001 0.000 0.326 135 R C 0.928 177.243 176.300 0.025 0.000 0.875 135 R CA 0.203 56.315 56.100 0.020 0.000 1.102 135 R CB -0.582 29.731 30.300 0.023 0.000 1.749 135 R HN 0.191 nan 8.270 nan 0.000 0.487 136 V N 1.807 121.731 119.914 0.017 0.000 2.223 136 V HA -0.191 3.929 4.120 0.001 0.000 0.253 136 V C -1.176 174.928 176.094 0.017 0.000 1.061 136 V CA 1.631 63.940 62.300 0.015 0.000 1.035 136 V CB -1.387 30.436 31.823 0.000 0.000 0.653 136 V HN 0.207 nan 8.190 nan 0.000 0.454 137 P HA 0.132 nan 4.420 nan 0.000 0.254 137 P C -0.382 176.930 177.300 0.020 0.000 1.467 137 P CA 0.671 63.775 63.100 0.006 0.000 1.281 137 P CB -0.572 31.130 31.700 0.003 0.000 1.754 138 I N 1.877 122.464 120.570 0.029 0.000 2.428 138 I HA 0.144 4.315 4.170 0.001 0.000 0.289 138 I C 1.104 177.238 176.117 0.029 0.000 1.019 138 I CA -0.819 60.513 61.300 0.053 0.000 1.351 138 I CB 0.768 38.833 38.000 0.109 0.000 1.412 138 I HN 0.138 nan 8.210 nan 0.000 0.513 139 N N 3.293 122.017 118.700 0.041 0.000 2.458 139 N HA -0.056 4.684 4.740 0.001 0.000 0.258 139 N C 0.961 176.477 175.510 0.009 0.000 1.219 139 N CA 0.275 53.342 53.050 0.028 0.000 0.902 139 N CB 0.784 39.299 38.487 0.046 0.000 1.076 139 N HN 0.701 nan 8.380 nan 0.000 0.455 140 T N -0.506 114.039 114.554 -0.015 0.000 3.144 140 T HA 0.183 4.534 4.350 0.001 0.000 0.249 140 T C 0.006 174.692 174.700 -0.023 0.000 1.089 140 T CA 0.222 62.295 62.100 -0.045 0.000 0.989 140 T CB -0.010 68.823 68.868 -0.058 0.000 0.992 140 T HN 0.484 nan 8.240 nan 0.000 0.540 141 E N 1.743 121.950 120.200 0.012 0.000 2.887 141 E HA 0.228 4.579 4.350 0.001 0.000 0.206 141 E C 0.157 176.798 176.600 0.068 0.000 0.983 141 E CA -0.071 56.346 56.400 0.029 0.000 1.141 141 E CB 0.880 30.593 29.700 0.021 0.000 1.061 141 E HN 0.784 nan 8.360 nan 0.000 0.468 142 T N -4.034 110.582 114.554 0.103 0.000 2.762 142 T HA 0.338 4.689 4.350 0.001 0.000 0.301 142 T C 0.540 175.410 174.700 0.284 0.000 1.299 142 T CA -0.776 61.429 62.100 0.174 0.000 1.005 142 T CB 0.456 69.418 68.868 0.156 0.000 1.377 142 T HN -0.068 nan 8.240 nan 0.000 0.504 143 F N 1.341 121.409 119.950 0.197 0.000 2.202 143 F HA -0.093 4.435 4.527 0.001 0.000 0.301 143 F C 2.423 178.380 175.800 0.261 0.000 1.082 143 F CA 1.573 59.764 58.000 0.319 0.000 1.313 143 F CB -0.112 39.010 39.000 0.204 0.000 1.024 143 F HN 0.666 nan 8.300 nan 0.000 0.495 144 E N 0.376 120.851 120.200 0.457 0.000 2.330 144 E HA -0.389 3.962 4.350 0.001 0.000 0.239 144 E C 1.851 178.613 176.600 0.270 0.000 1.097 144 E CA 2.335 58.912 56.400 0.295 0.000 1.031 144 E CB -1.428 28.382 29.700 0.183 0.000 0.885 144 E HN 0.573 nan 8.360 nan 0.000 0.479 145 F N 0.501 120.455 119.950 0.007 0.000 2.065 145 F HA -0.241 4.286 4.527 0.001 0.000 0.298 145 F C 2.352 178.036 175.800 -0.194 0.000 1.112 145 F CA 1.780 59.666 58.000 -0.191 0.000 1.212 145 F CB -0.724 37.998 39.000 -0.462 0.000 0.975 145 F HN -0.024 nan 8.300 nan 0.000 0.476 146 F N 0.536 120.414 119.950 -0.121 0.000 2.216 146 F HA -0.178 4.349 4.527 0.001 0.000 0.300 146 F C 2.383 178.222 175.800 0.064 0.000 1.085 146 F CA 1.356 59.199 58.000 -0.261 0.000 1.326 146 F CB -0.705 37.961 39.000 -0.558 0.000 1.027 146 F HN 0.000 nan 8.300 nan 0.000 0.497 147 D N -0.281 120.414 120.400 0.491 0.000 2.149 147 D HA -0.113 4.528 4.640 0.001 0.000 0.201 147 D C 2.101 178.447 176.300 0.076 0.000 0.972 147 D CA 0.823 54.996 54.000 0.288 0.000 0.835 147 D CB -0.280 40.623 40.800 0.173 0.000 0.966 147 D HN 0.272 nan 8.370 nan 0.000 0.476 148 Q N -0.207 119.591 119.800 -0.003 0.000 2.436 148 Q HA -0.031 4.310 4.340 0.001 0.000 0.209 148 Q C 1.916 177.827 176.000 -0.148 0.000 0.965 148 Q CA 0.293 56.057 55.803 -0.065 0.000 0.910 148 Q CB -0.256 28.452 28.738 -0.050 0.000 0.980 148 Q HN 0.324 nan 8.270 nan 0.000 0.491 149 C N 0.057 119.211 119.300 -0.243 0.000 2.696 149 C HA 0.105 4.566 4.460 0.001 0.000 0.264 149 C C 2.185 177.121 174.990 -0.089 0.000 1.288 149 C CA -0.360 58.513 59.018 -0.242 0.000 1.717 149 C CB -0.249 27.238 27.740 -0.422 0.000 1.893 149 C HN 0.460 nan 8.230 nan 0.000 0.577 150 K N 1.777 122.159 120.400 -0.030 0.000 2.152 150 K HA -0.168 4.153 4.320 0.001 0.000 0.206 150 K C 1.192 177.789 176.600 -0.005 0.000 1.048 150 K CA 1.835 58.126 56.287 0.007 0.000 0.933 150 K CB -0.211 32.310 32.500 0.035 0.000 0.721 150 K HN 0.622 nan 8.250 nan 0.000 0.447 151 D N -0.911 119.480 120.400 -0.015 0.000 2.325 151 D HA 0.043 4.683 4.640 0.001 0.000 0.225 151 D C 1.066 177.352 176.300 -0.024 0.000 1.096 151 D CA 0.578 54.569 54.000 -0.014 0.000 0.844 151 D CB 0.161 40.956 40.800 -0.008 0.000 0.925 151 D HN 0.249 nan 8.370 nan 0.000 0.513 152 G N 0.556 109.339 108.800 -0.029 0.000 2.228 152 G HA2 -0.403 3.558 3.960 0.001 0.000 0.270 152 G HA3 -0.403 3.558 3.960 0.001 0.000 0.270 152 G C 1.073 175.958 174.900 -0.026 0.000 0.976 152 G CA 0.759 45.841 45.100 -0.029 0.000 0.636 152 G HN 0.447 nan 8.290 nan 0.000 0.542 153 L N -0.049 121.159 121.223 -0.025 0.000 2.005 153 L HA 0.040 4.380 4.340 0.001 0.000 0.207 153 L C 2.972 179.836 176.870 -0.010 0.000 1.072 153 L CA 1.685 56.514 54.840 -0.018 0.000 0.744 153 L CB -0.508 41.542 42.059 -0.015 0.000 0.895 153 L HN 0.358 nan 8.230 nan 0.000 0.433 154 I N -0.192 120.371 120.570 -0.012 0.000 2.163 154 I HA -0.340 3.831 4.170 0.001 0.000 0.243 154 I C 2.482 178.613 176.117 0.024 0.000 1.085 154 I CA 1.493 62.798 61.300 0.010 0.000 1.347 154 I CB -0.259 37.742 38.000 0.002 0.000 1.044 154 I HN 0.241 nan 8.210 nan 0.000 0.408 155 L N -0.246 120.982 121.223 0.007 0.000 2.046 155 L HA -0.197 4.144 4.340 0.001 0.000 0.208 155 L C 2.690 179.568 176.870 0.014 0.000 1.077 155 L CA 1.181 56.033 54.840 0.021 0.000 0.747 155 L CB -0.540 41.525 42.059 0.009 0.000 0.896 155 L HN 0.174 nan 8.230 nan 0.000 0.432 156 S N -0.489 115.211 115.700 0.000 0.000 2.382 156 S HA -0.140 4.331 4.470 0.001 0.000 0.228 156 S C 1.980 176.580 174.600 0.000 0.000 1.027 156 S CA 1.059 59.256 58.200 -0.005 0.000 0.991 156 S CB -0.073 63.117 63.200 -0.016 0.000 0.823 156 S HN 0.291 nan 8.310 nan 0.000 0.469 157 K N 0.992 121.395 120.400 0.005 0.000 2.057 157 K HA 0.031 4.352 4.320 0.001 0.000 0.206 157 K C 2.086 178.696 176.600 0.017 0.000 1.050 157 K CA 0.684 56.976 56.287 0.007 0.000 0.935 157 K CB -0.840 31.665 32.500 0.008 0.000 0.715 157 K HN 0.280 nan 8.250 nan 0.000 0.439 158 L N 1.663 122.906 121.223 0.032 0.000 2.046 158 L HA -0.102 4.239 4.340 0.001 0.000 0.208 158 L C 2.104 178.993 176.870 0.031 0.000 1.077 158 L CA 1.331 56.201 54.840 0.050 0.000 0.747 158 L CB -0.354 41.751 42.059 0.076 0.000 0.896 158 L HN 0.081 nan 8.230 nan 0.000 0.432 159 I N -0.318 120.261 120.570 0.015 0.000 2.226 159 I HA -0.306 3.865 4.170 0.001 0.000 0.245 159 I C 1.868 177.986 176.117 0.001 0.000 1.100 159 I CA 1.237 62.538 61.300 0.002 0.000 1.374 159 I CB -0.471 37.528 38.000 -0.002 0.000 1.057 159 I HN 0.370 nan 8.210 nan 0.000 0.413 160 N N 0.450 119.151 118.700 0.003 0.000 2.459 160 N HA -0.168 4.573 4.740 0.001 0.000 0.181 160 N C 1.398 176.911 175.510 0.004 0.000 1.046 160 N CA 1.116 54.166 53.050 0.000 0.000 0.904 160 N CB -0.228 38.257 38.487 -0.003 0.000 0.964 160 N HN 0.418 nan 8.380 nan 0.000 0.444 161 D N -0.336 120.072 120.400 0.013 0.000 2.137 161 D HA 0.054 4.695 4.640 0.001 0.000 0.202 161 D C 1.675 177.992 176.300 0.028 0.000 0.970 161 D CA 0.888 54.901 54.000 0.023 0.000 0.837 161 D CB 0.174 40.995 40.800 0.035 0.000 0.981 161 D HN -0.078 nan 8.370 nan 0.000 0.475 162 S N -0.949 114.764 115.700 0.022 0.000 2.355 162 S HA 0.004 4.475 4.470 0.001 0.000 0.222 162 S C 0.570 175.162 174.600 -0.013 0.000 1.031 162 S CA 0.612 58.812 58.200 -0.000 0.000 0.993 162 S CB 0.400 63.582 63.200 -0.030 0.000 0.859 162 S HN 0.128 nan 8.310 nan 0.000 0.453 163 V N 3.133 123.040 119.914 -0.012 0.000 2.443 163 V HA 0.316 4.437 4.120 0.001 0.000 0.272 163 V C -2.811 173.279 176.094 -0.007 0.000 1.002 163 V CA -2.051 60.242 62.300 -0.013 0.000 0.840 163 V CB 1.107 32.921 31.823 -0.015 0.000 1.042 163 V HN 0.076 nan 8.190 nan 0.000 0.446 164 P HA 0.034 nan 4.420 nan 0.000 0.263 164 P C 0.317 177.612 177.300 -0.008 0.000 1.168 164 P CA 0.877 63.973 63.100 -0.006 0.000 0.759 164 P CB 0.215 31.911 31.700 -0.007 0.000 0.782 165 D N 0.135 120.530 120.400 -0.008 0.000 3.090 165 D HA -0.143 4.498 4.640 0.001 0.000 0.215 165 D C 0.706 177.001 176.300 -0.008 0.000 1.140 165 D CA 1.325 55.319 54.000 -0.009 0.000 0.937 165 D CB -1.725 39.069 40.800 -0.011 0.000 1.108 165 D HN 0.357 nan 8.370 nan 0.000 0.420 166 T N -0.082 114.468 114.554 -0.006 0.000 2.857 166 T HA 0.052 4.402 4.350 0.001 0.000 0.266 166 T C 1.299 175.997 174.700 -0.004 0.000 1.048 166 T CA 0.689 62.788 62.100 -0.002 0.000 1.139 166 T CB 0.521 69.389 68.868 -0.000 0.000 0.874 166 T HN 0.296 nan 8.240 nan 0.000 0.455 167 I N 1.549 122.114 120.570 -0.009 0.000 2.433 167 I HA 0.268 4.439 4.170 0.001 0.000 0.292 167 I C -0.715 175.392 176.117 -0.018 0.000 1.001 167 I CA -0.971 60.320 61.300 -0.014 0.000 1.119 167 I CB 1.868 39.858 38.000 -0.018 0.000 1.289 167 I HN -0.054 nan 8.210 nan 0.000 0.438 168 D N 6.594 126.981 120.400 -0.021 0.000 2.393 168 D HA 0.058 4.699 4.640 0.001 0.000 0.232 168 D C 0.925 177.207 176.300 -0.031 0.000 1.192 168 D CA 0.054 54.040 54.000 -0.024 0.000 0.882 168 D CB 0.830 41.615 40.800 -0.025 0.000 1.038 168 D HN 0.530 nan 8.370 nan 0.000 0.499 169 E N 2.471 122.655 120.200 -0.027 0.000 2.396 169 E HA -0.175 4.176 4.350 0.001 0.000 0.200 169 E C 1.298 177.877 176.600 -0.036 0.000 1.023 169 E CA 0.526 56.907 56.400 -0.030 0.000 0.857 169 E CB 0.192 29.879 29.700 -0.022 0.000 0.775 169 E HN 0.458 nan 8.360 nan 0.000 0.525 170 R N 0.674 121.153 120.500 -0.035 0.000 2.328 170 R HA -0.065 4.276 4.340 0.001 0.000 0.207 170 R C 2.266 178.532 176.300 -0.057 0.000 1.056 170 R CA 0.807 56.885 56.100 -0.038 0.000 1.016 170 R CB -0.149 30.133 30.300 -0.030 0.000 0.872 170 R HN 0.170 nan 8.270 nan 0.000 0.471 171 V N -2.155 117.715 119.914 -0.073 0.000 3.506 171 V HA 0.163 4.284 4.120 0.001 0.000 0.263 171 V C 0.776 176.792 176.094 -0.130 0.000 1.203 171 V CA 0.315 62.544 62.300 -0.119 0.000 1.133 171 V CB -0.253 31.492 31.823 -0.130 0.000 0.802 171 V HN 0.008 nan 8.190 nan 0.000 0.459 172 L N 2.288 123.458 121.223 -0.088 0.000 2.371 172 L HA 0.396 4.736 4.340 0.001 0.000 0.272 172 L C 0.142 176.976 176.870 -0.059 0.000 1.124 172 L CA -0.261 54.533 54.840 -0.076 0.000 0.816 172 L CB 0.274 42.301 42.059 -0.053 0.000 1.129 172 L HN 0.208 nan 8.230 nan 0.000 0.448 173 N N 2.689 121.357 118.700 -0.052 0.000 2.470 173 N HA 0.099 4.840 4.740 0.001 0.000 0.268 173 N C -0.308 175.193 175.510 -0.015 0.000 1.136 173 N CA 0.018 53.054 53.050 -0.023 0.000 0.961 173 N CB 1.048 39.532 38.487 -0.005 0.000 1.067 173 N HN 0.467 nan 8.380 nan 0.000 0.468 174 K N 1.655 122.050 120.400 -0.009 0.000 3.109 174 K HA 0.136 4.457 4.320 0.001 0.000 0.214 174 K C -0.362 176.238 176.600 0.000 0.000 1.196 174 K CA -0.361 55.922 56.287 -0.006 0.000 1.115 174 K CB 0.442 32.937 32.500 -0.009 0.000 1.103 174 K HN 0.313 nan 8.250 nan 0.000 0.467 175 Q N 1.489 121.292 119.800 0.004 0.000 2.333 175 Q HA 0.389 4.729 4.340 0.001 0.000 0.268 175 Q C -0.448 175.556 176.000 0.007 0.000 1.007 175 Q CA -0.200 55.607 55.803 0.007 0.000 0.810 175 Q CB 1.105 29.851 28.738 0.013 0.000 1.264 175 Q HN 0.426 nan 8.270 nan 0.000 0.452 181 L N 3.546 124.781 121.223 0.020 0.000 2.362 181 L HA 0.452 4.793 4.340 0.001 0.000 0.275 181 L C 0.063 176.958 176.870 0.040 0.000 0.998 181 L CA -0.006 54.851 54.840 0.029 0.000 0.820 181 L CB 1.644 43.716 42.059 0.023 0.000 1.270 181 L HN 0.525 nan 8.230 nan 0.000 0.415 182 D N 2.703 123.138 120.400 0.058 0.000 2.400 182 D HA -0.061 4.580 4.640 0.001 0.000 0.238 182 D C 0.534 176.891 176.300 0.095 0.000 1.157 182 D CA 0.008 54.053 54.000 0.075 0.000 0.889 182 D CB 0.650 41.503 40.800 0.088 0.000 1.199 182 D HN 0.483 nan 8.370 nan 0.000 0.436 183 N N 0.811 119.567 118.700 0.093 0.000 2.061 183 N HA -0.217 4.523 4.740 0.001 0.000 0.193 183 N C 1.411 176.985 175.510 0.107 0.000 1.030 183 N CA 0.905 54.005 53.050 0.085 0.000 0.856 183 N CB -0.758 37.777 38.487 0.079 0.000 1.023 183 N HN 0.564 nan 8.380 nan 0.000 0.424 184 F N 1.831 121.790 119.950 0.015 0.000 2.115 184 F HA -0.219 4.309 4.527 0.001 0.000 0.300 184 F C 2.065 177.879 175.800 0.023 0.000 1.092 184 F CA 1.651 59.664 58.000 0.022 0.000 1.245 184 F CB 0.014 39.028 39.000 0.024 0.000 0.995 184 F HN -0.012 nan 8.300 nan 0.000 0.481 185 K N -0.881 119.621 120.400 0.170 0.000 2.155 185 K HA -0.123 4.198 4.320 0.001 0.000 0.203 185 K C 2.138 178.717 176.600 -0.034 0.000 1.052 185 K CA 1.247 57.569 56.287 0.059 0.000 0.948 185 K CB -0.542 32.026 32.500 0.112 0.000 0.728 185 K HN 0.330 nan 8.250 nan 0.000 0.448 186 C N 1.046 120.338 119.300 -0.013 0.000 2.425 186 C HA -0.061 4.399 4.460 0.001 0.000 0.277 186 C C 2.480 177.433 174.990 -0.063 0.000 1.280 186 C CA 0.250 59.252 59.018 -0.027 0.000 1.744 186 C CB -0.620 27.118 27.740 -0.003 0.000 1.989 186 C HN 0.397 nan 8.230 nan 0.000 0.491 187 I N 1.242 121.752 120.570 -0.099 0.000 2.252 187 I HA -0.143 4.028 4.170 0.001 0.000 0.245 187 I C 2.455 178.479 176.117 -0.156 0.000 1.102 187 I CA 1.631 62.856 61.300 -0.125 0.000 1.385 187 I CB -1.514 36.389 38.000 -0.163 0.000 1.064 187 I HN 0.505 nan 8.210 nan 0.000 0.414 188 E N 0.748 120.812 120.200 -0.227 0.000 2.038 188 E HA -0.246 4.105 4.350 0.001 0.000 0.195 188 E C 1.920 178.435 176.600 -0.140 0.000 1.000 188 E CA 1.389 57.667 56.400 -0.203 0.000 0.803 188 E CB -0.175 29.383 29.700 -0.237 0.000 0.750 188 E HN 0.457 nan 8.360 nan 0.000 0.448 189 N N 0.909 119.540 118.700 -0.114 0.000 2.120 189 N HA -0.122 4.619 4.740 0.001 0.000 0.188 189 N C 1.446 176.916 175.510 -0.066 0.000 1.024 189 N CA 0.898 53.898 53.050 -0.084 0.000 0.852 189 N CB -0.380 38.071 38.487 -0.060 0.000 1.003 189 N HN 0.135 nan 8.380 nan 0.000 0.424 190 N N 0.988 119.651 118.700 -0.060 0.000 2.309 190 N HA -0.051 4.690 4.740 0.001 0.000 0.182 190 N C 1.075 176.560 175.510 -0.042 0.000 1.018 190 N CA 0.496 53.521 53.050 -0.042 0.000 0.876 190 N CB -0.364 38.104 38.487 -0.033 0.000 0.972 190 N HN 0.277 nan 8.380 nan 0.000 0.434 191 N N 0.519 119.184 118.700 -0.059 0.000 2.142 191 N HA -0.067 4.674 4.740 0.001 0.000 0.186 191 N C 1.825 177.307 175.510 -0.047 0.000 1.023 191 N CA 0.516 53.535 53.050 -0.052 0.000 0.852 191 N CB -0.436 38.015 38.487 -0.061 0.000 0.998 191 N HN 0.025 nan 8.380 nan 0.000 0.424 192 V N 0.582 120.462 119.914 -0.056 0.000 2.343 192 V HA -0.159 3.961 4.120 0.001 0.000 0.247 192 V C 2.401 178.476 176.094 -0.033 0.000 1.051 192 V CA 1.095 63.366 62.300 -0.049 0.000 1.036 192 V CB -0.480 31.306 31.823 -0.062 0.000 0.654 192 V HN 0.054 nan 8.190 nan 0.000 0.451 193 V N -0.191 119.705 119.914 -0.029 0.000 2.237 193 V HA -0.248 3.873 4.120 0.001 0.000 0.245 193 V C 2.329 178.418 176.094 -0.009 0.000 1.046 193 V CA 1.988 64.278 62.300 -0.016 0.000 1.007 193 V CB -0.498 31.318 31.823 -0.013 0.000 0.638 193 V HN 0.357 nan 8.190 nan 0.000 0.445 194 I N 0.812 121.376 120.570 -0.010 0.000 2.127 194 I HA -0.224 3.947 4.170 0.001 0.000 0.241 194 I C 2.252 178.367 176.117 -0.003 0.000 1.075 194 I CA 1.810 63.109 61.300 -0.002 0.000 1.334 194 I CB -1.487 36.510 38.000 -0.004 0.000 1.040 194 I HN 0.429 nan 8.210 nan 0.000 0.405 195 N N 0.379 119.069 118.700 -0.018 0.000 2.396 195 N HA -0.072 4.669 4.740 0.001 0.000 0.180 195 N C 1.959 177.457 175.510 -0.021 0.000 1.028 195 N CA 0.864 53.896 53.050 -0.030 0.000 0.893 195 N CB -0.033 38.423 38.487 -0.051 0.000 0.967 195 N HN 0.268 nan 8.380 nan 0.000 0.440 196 S N 0.946 116.641 115.700 -0.009 0.000 2.362 196 S HA 0.042 4.513 4.470 0.001 0.000 0.221 196 S C 2.168 176.779 174.600 0.020 0.000 1.032 196 S CA 0.809 59.011 58.200 0.004 0.000 0.973 196 S CB -0.181 63.018 63.200 -0.002 0.000 0.849 196 S HN 0.445 nan 8.310 nan 0.000 0.465 197 A N 1.987 124.816 122.820 0.015 0.000 1.917 197 A HA -0.183 4.138 4.320 0.001 0.000 0.219 197 A C 1.980 179.591 177.584 0.046 0.000 1.182 197 A CA 1.619 53.667 52.037 0.019 0.000 0.633 197 A CB -0.503 18.505 19.000 0.012 0.000 0.819 197 A HN 0.443 nan 8.150 nan 0.000 0.448 198 K N -0.771 119.667 120.400 0.063 0.000 2.280 198 K HA -0.015 4.305 4.320 0.001 0.000 0.202 198 K C 1.657 178.400 176.600 0.239 0.000 1.047 198 K CA 0.993 57.358 56.287 0.129 0.000 0.942 198 K CB -0.180 32.389 32.500 0.114 0.000 0.739 198 K HN 0.468 nan 8.250 nan 0.000 0.457 199 A N -0.020 122.909 122.820 0.181 0.000 2.348 199 A HA 0.158 4.478 4.320 0.001 0.000 0.224 199 A C 1.602 179.285 177.584 0.165 0.000 1.227 199 A CA -0.071 52.129 52.037 0.271 0.000 0.885 199 A CB -0.070 19.042 19.000 0.186 0.000 0.933 199 A HN 0.110 nan 8.150 nan 0.000 0.506 200 M N -0.524 119.131 119.600 0.093 0.000 2.349 200 M HA 0.203 4.684 4.480 0.001 0.000 0.266 200 M C 1.097 177.414 176.300 0.027 0.000 1.076 200 M CA 1.202 56.528 55.300 0.043 0.000 1.126 200 M CB -0.014 32.591 32.600 0.009 0.000 1.392 200 M HN 0.562 nan 8.290 nan 0.000 0.440 201 G N -0.759 108.060 108.800 0.032 0.000 2.719 201 G HA2 0.135 4.096 3.960 0.001 0.000 0.686 201 G HA3 0.135 4.096 3.960 0.001 0.000 0.686 201 G C 0.410 175.298 174.900 -0.019 0.000 1.201 201 G CA -0.447 44.654 45.100 0.001 0.000 0.768 201 G HN 0.758 nan 8.290 nan 0.000 0.629 202 G N -0.601 108.187 108.800 -0.020 0.000 2.189 202 G HA2 -0.196 3.765 3.960 0.001 0.000 0.267 202 G HA3 -0.196 3.765 3.960 0.001 0.000 0.267 202 G C 0.551 175.418 174.900 -0.055 0.000 0.975 202 G CA 1.134 46.219 45.100 -0.025 0.000 0.644 202 G HN 1.601 nan 8.290 nan 0.000 0.537 203 I N 0.508 121.053 120.570 -0.042 0.000 2.493 203 I HA 0.575 4.746 4.170 0.001 0.000 0.298 203 I C -0.046 176.065 176.117 -0.010 0.000 0.998 203 I CA -0.765 60.508 61.300 -0.045 0.000 1.137 203 I CB 2.203 40.178 38.000 -0.043 0.000 1.310 203 I HN 0.070 nan 8.210 nan 0.000 0.445 204 S N 6.970 122.668 115.700 -0.002 0.000 2.640 204 S HA 0.631 5.101 4.470 0.001 0.000 0.320 204 S C -0.627 173.990 174.600 0.027 0.000 1.097 204 S CA -0.551 57.658 58.200 0.015 0.000 1.092 204 S CB 0.350 63.559 63.200 0.016 0.000 0.988 204 S HN 0.497 nan 8.310 nan 0.000 0.470 205 I N 2.748 123.339 120.570 0.034 0.000 2.623 205 I HA 0.530 4.701 4.170 0.001 0.000 0.275 205 I C 0.031 176.170 176.117 0.037 0.000 1.108 205 I CA -0.551 60.772 61.300 0.038 0.000 1.120 205 I CB 1.268 39.290 38.000 0.036 0.000 1.249 205 I HN 0.359 nan 8.210 nan 0.000 0.500 206 T N 1.573 116.147 114.554 0.033 0.000 3.058 206 T HA 0.099 4.449 4.350 0.001 0.000 0.247 206 T C 1.365 176.081 174.700 0.027 0.000 0.987 206 T CA 0.518 62.635 62.100 0.028 0.000 1.062 206 T CB -0.059 68.822 68.868 0.021 0.000 1.048 206 T HN 0.668 nan 8.240 nan 0.000 0.468 207 N N 0.562 119.280 118.700 0.030 0.000 2.571 207 N HA 0.117 4.858 4.740 0.001 0.000 0.189 207 N C -0.093 175.438 175.510 0.035 0.000 1.154 207 N CA 0.137 53.205 53.050 0.030 0.000 0.907 207 N CB 0.242 38.748 38.487 0.032 0.000 0.977 207 N HN 0.374 nan 8.380 nan 0.000 0.449 208 I N 0.213 120.805 120.570 0.037 0.000 2.465 208 I HA 0.457 4.628 4.170 0.001 0.000 0.291 208 I C -0.294 175.840 176.117 0.028 0.000 1.014 208 I CA -0.695 60.628 61.300 0.038 0.000 1.093 208 I CB 1.553 39.582 38.000 0.049 0.000 1.267 208 I HN -0.150 nan 8.210 nan 0.000 0.431 209 G N 3.678 112.492 108.800 0.024 0.000 2.630 209 G HA2 0.553 4.513 3.960 0.001 0.000 0.296 209 G HA3 0.553 4.513 3.960 0.001 0.000 0.296 209 G C 0.488 175.394 174.900 0.011 0.000 1.285 209 G CA -0.074 45.035 45.100 0.015 0.000 0.958 209 G HN 0.816 nan 8.290 nan 0.000 0.479 210 A N -0.209 122.611 122.820 -0.000 0.000 1.958 210 A HA 0.006 4.327 4.320 0.001 0.000 0.221 210 A C 2.522 180.106 177.584 -0.001 0.000 1.178 210 A CA 2.726 54.758 52.037 -0.008 0.000 0.642 210 A CB -0.985 18.000 19.000 -0.026 0.000 0.816 210 A HN 1.300 nan 8.150 nan 0.000 0.453 211 G N -0.728 108.075 108.800 0.004 0.000 2.443 211 G HA2 -0.168 3.792 3.960 0.001 0.000 0.219 211 G HA3 -0.168 3.792 3.960 0.001 0.000 0.219 211 G C 1.098 176.012 174.900 0.023 0.000 1.131 211 G CA 1.067 46.174 45.100 0.012 0.000 0.775 211 G HN 0.502 nan 8.290 nan 0.000 0.547 212 D N 0.703 121.118 120.400 0.025 0.000 2.144 212 D HA -0.048 4.592 4.640 0.001 0.000 0.200 212 D C 2.532 178.857 176.300 0.042 0.000 0.978 212 D CA 0.445 54.466 54.000 0.034 0.000 0.833 212 D CB 0.002 40.823 40.800 0.035 0.000 0.961 212 D HN 0.367 nan 8.370 nan 0.000 0.470 213 I N 0.601 121.192 120.570 0.036 0.000 2.252 213 I HA -0.215 3.956 4.170 0.001 0.000 0.245 213 I C 2.391 178.533 176.117 0.041 0.000 1.102 213 I CA 0.392 61.714 61.300 0.037 0.000 1.385 213 I CB -0.132 37.879 38.000 0.020 0.000 1.064 213 I HN -0.018 nan 8.210 nan 0.000 0.414 214 L N 1.091 122.332 121.223 0.030 0.000 2.127 214 L HA -0.213 4.128 4.340 0.001 0.000 0.211 214 L C 2.057 178.959 176.870 0.053 0.000 1.089 214 L CA 1.963 56.822 54.840 0.032 0.000 0.757 214 L CB -0.590 41.481 42.059 0.021 0.000 0.899 214 L HN 0.203 nan 8.230 nan 0.000 0.434 215 E N -0.683 119.554 120.200 0.061 0.000 2.489 215 E HA 0.171 4.522 4.350 0.001 0.000 0.193 215 E C 1.153 177.835 176.600 0.138 0.000 1.057 215 E CA 0.484 56.931 56.400 0.079 0.000 0.866 215 E CB -0.079 29.658 29.700 0.061 0.000 0.916 215 E HN 0.610 nan 8.360 nan 0.000 0.500 216 G N 2.529 111.416 108.800 0.145 0.000 2.198 216 G HA2 -0.292 3.668 3.960 0.001 0.000 0.257 216 G HA3 -0.292 3.668 3.960 0.001 0.000 0.257 216 G C -0.123 174.816 174.900 0.065 0.000 1.042 216 G CA -0.258 44.971 45.100 0.214 0.000 0.791 216 G HN 0.032 nan 8.290 nan 0.000 0.502 217 R N 0.364 120.877 120.500 0.022 0.000 2.473 217 R HA 0.092 4.433 4.340 0.001 0.000 0.315 217 R C 1.527 177.697 176.300 -0.217 0.000 0.972 217 R CA 0.454 56.519 56.100 -0.058 0.000 1.047 217 R CB 0.208 30.513 30.300 0.007 0.000 0.932 217 R HN 0.695 nan 8.270 nan 0.000 0.411 218 E N 2.020 121.893 120.200 -0.544 0.000 2.031 218 E HA -0.180 4.171 4.350 0.001 0.000 0.193 218 E C 1.401 177.698 176.600 -0.505 0.000 0.994 218 E CA 0.999 56.728 56.400 -1.118 0.000 0.800 218 E CB 0.024 28.847 29.700 -1.463 0.000 0.752 218 E HN 0.567 nan 8.360 nan 0.000 0.447 219 H N 0.573 119.528 119.070 -0.192 0.000 2.357 219 H HA -0.055 4.501 4.556 0.001 0.000 0.301 219 H C 2.420 177.777 175.328 0.048 0.000 1.082 219 H CA 0.980 57.009 56.048 -0.032 0.000 1.342 219 H CB -0.156 29.589 29.762 -0.029 0.000 1.389 219 H HN 0.122 nan 8.280 nan 0.000 0.511 220 L N 0.169 121.479 121.223 0.145 0.000 2.017 220 L HA -0.169 4.171 4.340 0.001 0.000 0.208 220 L C 2.688 179.649 176.870 0.152 0.000 1.073 220 L CA 0.994 55.910 54.840 0.126 0.000 0.745 220 L CB -0.396 41.714 42.059 0.083 0.000 0.894 220 L HN 0.158 nan 8.230 nan 0.000 0.432 221 I N -0.721 119.948 120.570 0.166 0.000 2.142 221 I HA -0.316 3.855 4.170 0.001 0.000 0.240 221 I C 2.444 178.771 176.117 0.350 0.000 1.078 221 I CA 1.121 62.569 61.300 0.248 0.000 1.343 221 I CB -0.159 38.046 38.000 0.341 0.000 1.046 221 I HN 0.211 nan 8.210 nan 0.000 0.405 222 L N 0.972 122.473 121.223 0.464 0.000 2.131 222 L HA -0.084 4.257 4.340 0.001 0.000 0.210 222 L C 2.312 179.409 176.870 0.378 0.000 1.092 222 L CA 1.915 57.050 54.840 0.491 0.000 0.759 222 L CB -1.120 41.245 42.059 0.509 0.000 0.903 222 L HN 0.195 nan 8.230 nan 0.000 0.435 223 G N -0.773 108.208 108.800 0.303 0.000 2.418 223 G HA2 -0.275 3.686 3.960 0.001 0.000 0.217 223 G HA3 -0.275 3.686 3.960 0.001 0.000 0.217 223 G C 1.544 176.576 174.900 0.221 0.000 1.158 223 G CA 0.879 46.145 45.100 0.276 0.000 0.771 223 G HN 0.383 nan 8.290 nan 0.000 0.545 224 L N 0.770 122.093 121.223 0.168 0.000 2.093 224 L HA 0.098 4.439 4.340 0.001 0.000 0.208 224 L C 2.826 179.736 176.870 0.067 0.000 1.085 224 L CA 1.183 56.081 54.840 0.098 0.000 0.755 224 L CB -0.445 41.667 42.059 0.089 0.000 0.904 224 L HN 0.067 nan 8.230 nan 0.000 0.435 225 V N -0.630 119.358 119.914 0.124 0.000 2.295 225 V HA -0.327 3.794 4.120 0.001 0.000 0.246 225 V C 2.214 178.238 176.094 -0.116 0.000 1.049 225 V CA 2.311 64.646 62.300 0.059 0.000 1.024 225 V CB -0.874 31.051 31.823 0.170 0.000 0.648 225 V HN 0.768 nan 8.190 nan 0.000 0.447 226 W N 0.389 121.508 121.300 -0.300 0.000 2.358 226 W HA -0.205 4.456 4.660 0.001 0.000 0.303 226 W C 2.357 178.738 176.519 -0.230 0.000 1.208 226 W CA 1.459 58.536 57.345 -0.446 0.000 1.274 226 W CB -0.150 29.202 29.460 -0.180 0.000 1.138 226 W HN 0.273 nan 8.180 nan 0.000 0.515 227 Q N 0.844 120.418 119.800 -0.377 0.000 2.084 227 Q HA -0.205 4.135 4.340 0.001 0.000 0.202 227 Q C 2.236 177.993 176.000 -0.405 0.000 0.978 227 Q CA 2.003 57.535 55.803 -0.451 0.000 0.844 227 Q CB -0.862 27.772 28.738 -0.173 0.000 0.898 227 Q HN 0.520 nan 8.270 nan 0.000 0.426 228 I N 0.224 120.638 120.570 -0.261 0.000 2.179 228 I HA -0.263 3.908 4.170 0.001 0.000 0.242 228 I C 2.308 178.271 176.117 -0.256 0.000 1.088 228 I CA 0.943 62.128 61.300 -0.191 0.000 1.357 228 I CB -0.317 37.631 38.000 -0.086 0.000 1.051 228 I HN 0.119 nan 8.210 nan 0.000 0.409 229 I N 0.492 120.857 120.570 -0.343 0.000 2.226 229 I HA -0.309 3.862 4.170 0.001 0.000 0.245 229 I C 2.825 178.636 176.117 -0.510 0.000 1.100 229 I CA 1.327 62.401 61.300 -0.377 0.000 1.374 229 I CB -0.414 37.330 38.000 -0.427 0.000 1.057 229 I HN 0.226 nan 8.210 nan 0.000 0.413 230 R N 1.169 121.145 120.500 -0.873 0.000 2.081 230 R HA -0.235 4.106 4.340 0.001 0.000 0.235 230 R C 2.453 178.462 176.300 -0.484 0.000 1.131 230 R CA 1.620 57.176 56.100 -0.907 0.000 0.960 230 R CB -0.206 29.266 30.300 -1.380 0.000 0.856 230 R HN 0.074 nan 8.270 nan 0.000 0.436 231 R N 0.134 120.402 120.500 -0.387 0.000 2.152 231 R HA -0.033 4.308 4.340 0.001 0.000 0.232 231 R C 1.848 178.045 176.300 -0.171 0.000 1.117 231 R CA 1.950 57.910 56.100 -0.233 0.000 0.981 231 R CB -0.858 29.336 30.300 -0.175 0.000 0.870 231 R HN 0.407 nan 8.270 nan 0.000 0.451 232 G N -0.443 108.255 108.800 -0.169 0.000 2.744 232 G HA2 -0.006 3.955 3.960 0.001 0.000 0.211 232 G HA3 -0.006 3.955 3.960 0.001 0.000 0.211 232 G C 1.298 176.148 174.900 -0.083 0.000 1.146 232 G CA 0.129 45.172 45.100 -0.095 0.000 0.787 232 G HN 0.265 nan 8.290 nan 0.000 0.534 233 L N 0.211 121.350 121.223 -0.140 0.000 2.030 233 L HA -0.187 4.154 4.340 0.001 0.000 0.222 233 L C 2.562 179.394 176.870 -0.063 0.000 1.082 233 L CA 1.019 55.790 54.840 -0.114 0.000 0.785 233 L CB -0.402 41.544 42.059 -0.189 0.000 0.895 233 L HN 0.156 nan 8.230 nan 0.000 0.439 234 L N -1.672 119.503 121.223 -0.080 0.000 2.249 234 L HA 0.173 4.514 4.340 0.001 0.000 0.207 234 L C 1.572 178.433 176.870 -0.015 0.000 1.090 234 L CA 1.415 56.234 54.840 -0.034 0.000 0.802 234 L CB -1.557 40.458 42.059 -0.074 0.000 0.947 234 L HN 0.535 nan 8.230 nan 0.000 0.453 235 G N 0.783 109.564 108.800 -0.033 0.000 2.554 235 G HA2 -0.265 3.695 3.960 0.001 0.000 0.253 235 G HA3 -0.265 3.695 3.960 0.001 0.000 0.253 235 G C 0.315 175.203 174.900 -0.021 0.000 1.172 235 G CA 0.273 45.359 45.100 -0.023 0.000 0.950 235 G HN 0.321 nan 8.290 nan 0.000 0.557 236 K N 1.337 121.729 120.400 -0.014 0.000 2.720 236 K HA 0.814 5.134 4.320 0.001 0.000 0.281 236 K C 0.953 177.553 176.600 -0.000 0.000 1.019 236 K CA 0.046 56.327 56.287 -0.011 0.000 1.088 236 K CB 0.698 33.191 32.500 -0.012 0.000 1.449 236 K HN 1.618 nan 8.250 nan 0.000 0.542 255 L N 2.370 123.642 121.223 0.081 0.000 2.109 255 L HA 0.150 4.490 4.340 0.001 0.000 0.207 255 L C 1.913 178.885 176.870 0.171 0.000 1.086 255 L CA 2.236 57.149 54.840 0.123 0.000 0.760 255 L CB -0.455 41.647 42.059 0.072 0.000 0.910 255 L HN 0.869 nan 8.230 nan 0.000 0.437 256 D N -1.510 118.962 120.400 0.119 0.000 2.178 256 D HA -0.232 4.409 4.640 0.001 0.000 0.201 256 D C 2.013 178.386 176.300 0.121 0.000 0.980 256 D CA 1.289 55.353 54.000 0.107 0.000 0.842 256 D CB 0.122 40.973 40.800 0.085 0.000 0.948 256 D HN 0.571 nan 8.370 nan 0.000 0.472 257 Q N -0.956 118.930 119.800 0.143 0.000 2.096 257 Q HA -0.062 4.278 4.340 0.001 0.000 0.197 257 Q C 1.869 177.957 176.000 0.147 0.000 0.964 257 Q CA 0.655 56.544 55.803 0.143 0.000 0.838 257 Q CB -0.238 28.588 28.738 0.147 0.000 0.906 257 Q HN 0.347 nan 8.270 nan 0.000 0.444 258 F N 1.722 121.691 119.950 0.032 0.000 2.095 258 F HA -0.172 4.356 4.527 0.002 0.000 0.298 258 F C 1.626 177.428 175.800 0.002 0.000 1.104 258 F CA 1.287 59.296 58.000 0.015 0.000 1.232 258 F CB -0.081 38.930 39.000 0.018 0.000 0.987 258 F HN -0.038 nan 8.300 nan 0.000 0.475 259 L N -0.111 121.131 121.223 0.033 0.000 2.622 259 L HA -0.054 4.287 4.340 0.001 0.000 0.233 259 L C 1.688 178.505 176.870 -0.087 0.000 1.156 259 L CA 0.664 55.465 54.840 -0.064 0.000 0.866 259 L CB -0.439 41.653 42.059 0.055 0.000 0.980 259 L HN 0.107 nan 8.230 nan 0.000 0.448 260 R N -0.935 119.528 120.500 -0.062 0.000 2.437 260 R HA 0.271 4.612 4.340 0.001 0.000 0.257 260 R C 0.289 176.563 176.300 -0.043 0.000 0.927 260 R CA -0.264 55.831 56.100 -0.008 0.000 1.078 260 R CB 0.514 30.855 30.300 0.067 0.000 1.161 260 R HN 0.219 nan 8.270 nan 0.000 0.529 261 L N 2.498 123.583 121.223 -0.230 0.000 2.466 261 L HA 0.245 4.586 4.340 0.001 0.000 0.257 261 L C -1.776 174.834 176.870 -0.434 0.000 1.189 261 L CA -1.881 52.700 54.840 -0.431 0.000 0.813 261 L CB 0.127 41.932 42.059 -0.424 0.000 1.118 261 L HN -0.129 nan 8.230 nan 0.000 0.471 262 P HA 0.146 nan 4.420 nan 0.000 0.274 262 P C -2.370 174.783 177.300 -0.246 0.000 1.237 262 P CA -1.468 61.455 63.100 -0.295 0.000 0.793 262 P CB 0.243 31.801 31.700 -0.236 0.000 0.977 263 P HA -0.235 nan 4.420 nan 0.000 0.217 263 P C 1.317 178.518 177.300 -0.165 0.000 1.162 263 P CA 1.876 64.847 63.100 -0.216 0.000 0.901 263 P CB -0.147 31.425 31.700 -0.214 0.000 0.793 264 E N -0.439 119.703 120.200 -0.096 0.000 2.160 264 E HA -0.185 4.166 4.350 0.001 0.000 0.195 264 E C 1.626 178.311 176.600 0.142 0.000 0.991 264 E CA 1.259 57.708 56.400 0.081 0.000 0.810 264 E CB -0.573 29.213 29.700 0.142 0.000 0.742 264 E HN 0.339 nan 8.360 nan 0.000 0.466 265 K N -0.300 120.092 120.400 -0.014 0.000 2.444 265 K HA 0.152 4.473 4.320 0.001 0.000 0.193 265 K C 1.440 178.000 176.600 -0.067 0.000 1.024 265 K CA 0.303 56.579 56.287 -0.018 0.000 1.077 265 K CB 0.368 32.815 32.500 -0.089 0.000 0.833 265 K HN 0.162 nan 8.250 nan 0.000 0.517 266 I N -0.024 120.438 120.570 -0.180 0.000 3.172 266 I HA -0.098 4.073 4.170 0.001 0.000 0.278 266 I C 1.704 177.817 176.117 -0.007 0.000 1.174 266 I CA 0.436 61.559 61.300 -0.293 0.000 1.445 266 I CB 0.205 37.856 38.000 -0.582 0.000 1.175 266 I HN 0.041 nan 8.210 nan 0.000 0.447 267 L N 0.383 121.607 121.223 0.000 0.000 2.109 267 L HA -0.122 4.219 4.340 0.001 0.000 0.207 267 L C 2.451 179.652 176.870 0.552 0.000 1.086 267 L CA 1.051 56.018 54.840 0.211 0.000 0.760 267 L CB -0.335 41.866 42.059 0.237 0.000 0.910 267 L HN 0.238 nan 8.230 nan 0.000 0.437 268 L N -0.459 121.034 121.223 0.451 0.000 2.017 268 L HA -0.210 4.131 4.340 0.001 0.000 0.208 268 L C 2.881 179.938 176.870 0.313 0.000 1.073 268 L CA 1.376 56.403 54.840 0.312 0.000 0.745 268 L CB -0.487 41.673 42.059 0.169 0.000 0.894 268 L HN 0.227 nan 8.230 nan 0.000 0.432 269 R N -1.140 119.556 120.500 0.327 0.000 2.081 269 R HA -0.234 4.107 4.340 0.001 0.000 0.235 269 R C 2.065 178.595 176.300 0.384 0.000 1.131 269 R CA 1.973 58.259 56.100 0.310 0.000 0.960 269 R CB -0.582 29.923 30.300 0.342 0.000 0.856 269 R HN 0.423 nan 8.270 nan 0.000 0.436 270 W N 1.108 122.574 121.300 0.277 0.000 2.353 270 W HA -0.190 4.470 4.660 0.001 0.000 0.319 270 W C 1.905 178.705 176.519 0.469 0.000 1.207 270 W CA 1.208 58.748 57.345 0.325 0.000 1.291 270 W CB -0.800 28.845 29.460 0.309 0.000 1.159 270 W HN -0.031 nan 8.180 nan 0.000 0.478 271 F N 1.652 121.810 119.950 0.346 0.000 2.063 271 F HA -0.409 4.119 4.527 0.001 0.000 0.298 271 F C 2.244 178.054 175.800 0.017 0.000 1.109 271 F CA 2.116 60.166 58.000 0.084 0.000 1.212 271 F CB -0.547 38.597 39.000 0.240 0.000 0.973 271 F HN -0.106 nan 8.300 nan 0.000 0.480 272 N N -0.344 118.557 118.700 0.336 0.000 2.244 272 N HA -0.237 4.504 4.740 0.001 0.000 0.183 272 N C 1.622 177.205 175.510 0.122 0.000 1.016 272 N CA 1.328 54.478 53.050 0.167 0.000 0.866 272 N CB -0.835 37.707 38.487 0.093 0.000 0.980 272 N HN 0.475 nan 8.380 nan 0.000 0.430 273 Y N 1.778 122.065 120.300 -0.023 0.000 2.165 273 Y HA -0.242 4.308 4.550 0.001 0.000 0.286 273 Y C 2.366 178.136 175.900 -0.217 0.000 1.155 273 Y CA 1.794 59.807 58.100 -0.144 0.000 1.164 273 Y CB -0.378 37.942 38.460 -0.233 0.000 0.978 273 Y HN 0.201 nan 8.280 nan 0.000 0.513 274 H N -0.298 118.672 119.070 -0.167 0.000 2.372 274 H HA -0.045 4.512 4.556 0.001 0.000 0.301 274 H C 2.447 177.694 175.328 -0.135 0.000 1.065 274 H CA 1.694 57.584 56.048 -0.263 0.000 1.364 274 H CB -0.426 29.151 29.762 -0.309 0.000 1.406 274 H HN 0.377 nan 8.280 nan 0.000 0.521 275 L N 0.736 122.037 121.223 0.130 0.000 2.079 275 L HA -0.194 4.147 4.340 0.001 0.000 0.210 275 L C 2.648 179.586 176.870 0.113 0.000 1.081 275 L CA 1.308 56.251 54.840 0.171 0.000 0.752 275 L CB -0.312 41.898 42.059 0.252 0.000 0.896 275 L HN 0.181 nan 8.230 nan 0.000 0.433 276 K N 0.434 120.842 120.400 0.014 0.000 2.097 276 K HA -0.147 4.174 4.320 0.001 0.000 0.205 276 K C 2.131 178.687 176.600 -0.074 0.000 1.050 276 K CA 1.198 57.469 56.287 -0.027 0.000 0.938 276 K CB -0.023 32.440 32.500 -0.062 0.000 0.718 276 K HN 0.255 nan 8.250 nan 0.000 0.442 277 A N 0.828 123.542 122.820 -0.176 0.000 1.969 277 A HA 0.004 4.325 4.320 0.001 0.000 0.218 277 A C 2.071 179.620 177.584 -0.058 0.000 1.169 277 A CA 1.494 53.424 52.037 -0.178 0.000 0.635 277 A CB -0.456 18.358 19.000 -0.310 0.000 0.810 277 A HN 0.420 nan 8.150 nan 0.000 0.445 278 A N -0.479 122.336 122.820 -0.007 0.000 2.259 278 A HA 0.176 4.497 4.320 0.001 0.000 0.208 278 A C 0.629 178.279 177.584 0.110 0.000 1.201 278 A CA 0.296 52.357 52.037 0.039 0.000 0.824 278 A CB -0.582 18.433 19.000 0.025 0.000 0.838 278 A HN 0.511 nan 8.150 nan 0.000 0.485 279 N N -0.854 117.899 118.700 0.089 0.000 2.714 279 N HA -0.159 4.581 4.740 0.001 0.000 0.252 279 N C -0.624 175.003 175.510 0.196 0.000 1.014 279 N CA 1.099 54.207 53.050 0.097 0.000 0.735 279 N CB -1.362 37.165 38.487 0.066 0.000 0.924 279 N HN 0.844 nan 8.380 nan 0.000 0.540 280 W N 0.893 122.179 121.300 -0.023 0.000 2.391 280 W HA 0.277 4.938 4.660 0.001 0.000 0.311 280 W C -1.787 174.716 176.519 -0.026 0.000 1.087 280 W CA -1.821 55.514 57.345 -0.016 0.000 1.209 280 W CB 1.170 30.629 29.460 -0.002 0.000 1.273 280 W HN 0.006 nan 8.180 nan 0.000 0.482 281 P HA -0.035 nan 4.420 nan 0.000 0.230 281 P C -0.035 177.036 177.300 -0.381 0.000 1.158 281 P CA 1.218 64.077 63.100 -0.401 0.000 0.769 281 P CB 0.174 31.607 31.700 -0.445 0.000 0.807 282 R N -0.935 119.253 120.500 -0.520 0.000 2.457 282 R HA 0.558 4.899 4.340 0.001 0.000 0.284 282 R C 0.135 176.415 176.300 -0.032 0.000 1.024 282 R CA -0.132 55.837 56.100 -0.219 0.000 1.025 282 R CB 1.015 31.252 30.300 -0.105 0.000 1.063 282 R HN -0.118 nan 8.270 nan 0.000 0.493 283 T N 0.781 115.289 114.554 -0.077 0.000 2.916 283 T HA 0.452 4.803 4.350 0.001 0.000 0.292 283 T C -1.130 173.457 174.700 -0.188 0.000 1.055 283 T CA -0.538 61.505 62.100 -0.095 0.000 1.009 283 T CB 1.603 70.424 68.868 -0.077 0.000 1.118 283 T HN 0.151 nan 8.240 nan 0.000 0.497 284 V N 3.108 122.848 119.914 -0.290 0.000 2.459 284 V HA 0.534 4.655 4.120 0.001 0.000 0.295 284 V C 0.700 176.614 176.094 -0.300 0.000 1.029 284 V CA -0.239 61.802 62.300 -0.431 0.000 0.874 284 V CB 1.736 33.021 31.823 -0.896 0.000 0.985 284 V HN 1.069 nan 8.190 nan 0.000 0.438 285 S N 2.234 117.781 115.700 -0.256 0.000 2.787 285 S HA 0.296 4.766 4.470 0.001 0.000 0.255 285 S C 0.025 174.540 174.600 -0.142 0.000 1.051 285 S CA -0.126 57.981 58.200 -0.155 0.000 1.124 285 S CB -0.061 63.086 63.200 -0.088 0.000 1.104 285 S HN 0.920 nan 8.310 nan 0.000 0.623 286 N N -0.356 118.191 118.700 -0.254 0.000 3.179 286 N HA 0.481 5.221 4.740 0.001 0.000 0.250 286 N C -1.376 173.924 175.510 -0.349 0.000 1.507 286 N CA -0.975 51.989 53.050 -0.143 0.000 0.883 286 N CB -0.244 38.238 38.487 -0.009 0.000 1.435 286 N HN -0.036 nan 8.380 nan 0.000 0.532 287 F N -0.251 119.739 119.950 0.067 0.000 2.908 287 F HA 0.465 4.992 4.527 0.001 0.000 0.328 287 F C 1.038 176.884 175.800 0.077 0.000 1.211 287 F CA -0.189 57.880 58.000 0.114 0.000 1.291 287 F CB -0.001 39.115 39.000 0.193 0.000 0.962 287 F HN 0.714 nan 8.300 nan 0.000 0.505 288 S N -1.350 114.423 115.700 0.121 0.000 3.669 288 S HA 0.197 4.668 4.470 0.001 0.000 0.171 288 S C 1.615 176.220 174.600 0.009 0.000 0.855 288 S CA -0.187 58.058 58.200 0.075 0.000 1.037 288 S CB 0.180 63.418 63.200 0.063 0.000 1.477 288 S HN -0.037 nan 8.310 nan 0.000 0.854 289 K N 1.697 122.090 120.400 -0.012 0.000 2.032 289 K HA -0.004 4.317 4.320 0.001 0.000 0.209 289 K C 1.370 177.928 176.600 -0.070 0.000 1.048 289 K CA 2.059 58.325 56.287 -0.034 0.000 0.927 289 K CB -0.949 31.532 32.500 -0.032 0.000 0.712 289 K HN 0.423 nan 8.250 nan 0.000 0.441 290 D N -0.880 119.454 120.400 -0.110 0.000 2.309 290 D HA -0.102 4.538 4.640 0.001 0.000 0.212 290 D C 1.280 177.443 176.300 -0.228 0.000 0.968 290 D CA 1.292 55.188 54.000 -0.172 0.000 0.882 290 D CB 0.245 40.900 40.800 -0.242 0.000 0.918 290 D HN 0.264 nan 8.370 nan 0.000 0.503 291 V N -2.765 117.013 119.914 -0.228 0.000 3.432 291 V HA 0.161 4.282 4.120 0.001 0.000 0.298 291 V C 1.758 177.707 176.094 -0.243 0.000 1.464 291 V CA 0.506 62.571 62.300 -0.391 0.000 1.046 291 V CB 0.158 31.623 31.823 -0.597 0.000 0.887 291 V HN 0.050 nan 8.190 nan 0.000 0.441 292 S N 1.975 117.618 115.700 -0.096 0.000 2.507 292 S HA -0.175 4.296 4.470 0.001 0.000 0.235 292 S C 1.329 175.925 174.600 -0.007 0.000 0.988 292 S CA 1.385 59.571 58.200 -0.024 0.000 0.944 292 S CB -0.585 62.610 63.200 -0.009 0.000 0.762 292 S HN 0.843 nan 8.310 nan 0.000 0.526 293 D N -0.403 119.986 120.400 -0.017 0.000 2.369 293 D HA 0.305 4.946 4.640 0.001 0.000 0.211 293 D C 1.420 177.743 176.300 0.038 0.000 1.077 293 D CA 0.426 54.435 54.000 0.015 0.000 0.842 293 D CB -0.507 40.305 40.800 0.021 0.000 0.947 293 D HN 0.457 nan 8.370 nan 0.000 0.509 294 G N 0.475 109.298 108.800 0.039 0.000 2.212 294 G HA2 -0.419 3.542 3.960 0.001 0.000 0.266 294 G HA3 -0.419 3.542 3.960 0.001 0.000 0.266 294 G C 0.988 175.947 174.900 0.098 0.000 0.978 294 G CA 0.586 45.752 45.100 0.110 0.000 0.632 294 G HN 0.439 nan 8.290 nan 0.000 0.537 295 E N 0.090 120.331 120.200 0.069 0.000 2.028 295 E HA -0.093 4.258 4.350 0.001 0.000 0.191 295 E C 2.313 178.914 176.600 0.001 0.000 0.988 295 E CA 1.009 57.452 56.400 0.071 0.000 0.799 295 E CB -0.191 29.641 29.700 0.220 0.000 0.755 295 E HN 0.465 nan 8.360 nan 0.000 0.447 296 N N 0.317 119.056 118.700 0.066 0.000 2.166 296 N HA -0.155 4.586 4.740 0.001 0.000 0.186 296 N C 1.661 177.338 175.510 0.279 0.000 1.019 296 N CA 1.080 54.195 53.050 0.109 0.000 0.856 296 N CB -0.360 38.155 38.487 0.047 0.000 0.993 296 N HN 0.344 nan 8.380 nan 0.000 0.426 297 Y N 1.074 121.524 120.300 0.250 0.000 2.163 297 Y HA -0.164 4.386 4.550 0.001 0.000 0.288 297 Y C 2.574 178.499 175.900 0.043 0.000 1.136 297 Y CA 0.956 59.181 58.100 0.208 0.000 1.147 297 Y CB -0.256 38.337 38.460 0.222 0.000 0.987 297 Y HN 0.057 nan 8.280 nan 0.000 0.509 298 T N -0.320 114.324 114.554 0.149 0.000 2.684 298 T HA -0.188 4.163 4.350 0.001 0.000 0.267 298 T C 1.963 176.587 174.700 -0.127 0.000 1.036 298 T CA 1.545 63.643 62.100 -0.004 0.000 1.148 298 T CB -0.631 68.207 68.868 -0.050 0.000 0.863 298 T HN 0.089 nan 8.240 nan 0.000 0.436 299 V N 1.504 121.255 119.914 -0.271 0.000 2.358 299 V HA -0.098 4.023 4.120 0.001 0.000 0.246 299 V C 2.374 178.346 176.094 -0.203 0.000 1.047 299 V CA 1.265 63.329 62.300 -0.394 0.000 1.035 299 V CB -0.709 30.605 31.823 -0.848 0.000 0.658 299 V HN 0.329 nan 8.190 nan 0.000 0.452 300 L N -0.031 121.129 121.223 -0.104 0.000 1.989 300 L HA -0.161 4.180 4.340 0.001 0.000 0.211 300 L C 2.227 178.982 176.870 -0.192 0.000 1.071 300 L CA 1.988 56.732 54.840 -0.160 0.000 0.749 300 L CB -0.652 41.252 42.059 -0.258 0.000 0.890 300 L HN 0.196 nan 8.230 nan 0.000 0.431 301 L N -0.031 121.126 121.223 -0.111 0.000 2.083 301 L HA -0.239 4.101 4.340 0.001 0.000 0.209 301 L C 2.505 179.301 176.870 -0.124 0.000 1.083 301 L CA 1.762 56.536 54.840 -0.109 0.000 0.752 301 L CB -0.935 41.098 42.059 -0.043 0.000 0.899 301 L HN 0.577 nan 8.230 nan 0.000 0.433 302 N N 0.044 118.674 118.700 -0.117 0.000 2.331 302 N HA -0.227 4.513 4.740 0.001 0.000 0.180 302 N C 1.935 177.379 175.510 -0.109 0.000 1.019 302 N CA 1.022 54.008 53.050 -0.107 0.000 0.881 302 N CB 0.231 38.650 38.487 -0.112 0.000 0.972 302 N HN 0.279 nan 8.380 nan 0.000 0.435 303 Q N 0.898 120.618 119.800 -0.135 0.000 2.137 303 Q HA 0.109 4.450 4.340 0.001 0.000 0.198 303 Q C 2.146 178.057 176.000 -0.148 0.000 0.960 303 Q CA 0.958 56.688 55.803 -0.121 0.000 0.847 303 Q CB -0.177 28.489 28.738 -0.121 0.000 0.915 303 Q HN 0.406 nan 8.270 nan 0.000 0.448 304 L N -0.789 120.302 121.223 -0.221 0.000 2.109 304 L HA 0.119 4.460 4.340 0.001 0.000 0.207 304 L C 0.484 177.278 176.870 -0.126 0.000 1.086 304 L CA 0.840 55.554 54.840 -0.209 0.000 0.760 304 L CB -0.086 41.832 42.059 -0.235 0.000 0.910 304 L HN 0.166 nan 8.230 nan 0.000 0.437 305 A N -1.260 121.483 122.820 -0.128 0.000 3.300 305 A HA 0.440 4.761 4.320 0.001 0.000 0.300 305 A C -2.039 175.500 177.584 -0.076 0.000 1.099 305 A CA -0.769 51.206 52.037 -0.102 0.000 0.846 305 A CB 0.177 19.086 19.000 -0.152 0.000 1.255 305 A HN -0.068 nan 8.150 nan 0.000 0.519 306 P HA -0.197 nan 4.420 nan 0.000 0.219 306 P C 1.181 178.460 177.300 -0.036 0.000 1.144 306 P CA 1.303 64.377 63.100 -0.044 0.000 0.806 306 P CB 0.395 32.077 31.700 -0.030 0.000 0.771 307 E N -1.434 118.747 120.200 -0.033 0.000 2.285 307 E HA -0.014 4.337 4.350 0.001 0.000 0.194 307 E C 1.381 177.965 176.600 -0.027 0.000 0.997 307 E CA 0.968 57.354 56.400 -0.024 0.000 0.845 307 E CB -0.154 29.536 29.700 -0.017 0.000 0.782 307 E HN 0.318 nan 8.360 nan 0.000 0.491 308 L N -1.342 119.858 121.223 -0.039 0.000 2.717 308 L HA 0.144 4.485 4.340 0.001 0.000 0.239 308 L C 0.368 177.215 176.870 -0.037 0.000 1.086 308 L CA 0.342 55.161 54.840 -0.036 0.000 0.897 308 L CB 0.530 42.563 42.059 -0.043 0.000 1.214 308 L HN -0.104 nan 8.230 nan 0.000 0.508 309 C N -0.629 118.642 119.300 -0.048 0.000 2.319 309 C HA 0.726 5.187 4.460 0.001 0.000 0.323 309 C C 0.779 175.741 174.990 -0.047 0.000 1.277 309 C CA -0.908 58.083 59.018 -0.046 0.000 1.517 309 C CB 0.903 28.608 27.740 -0.059 0.000 2.206 309 C HN 0.328 nan 8.230 nan 0.000 0.486 310 S N 1.418 117.096 115.700 -0.037 0.000 2.767 310 S HA 0.478 4.948 4.470 0.001 0.000 0.300 310 S C 0.812 175.383 174.600 -0.048 0.000 1.123 310 S CA -0.580 57.597 58.200 -0.038 0.000 0.992 310 S CB 0.780 63.965 63.200 -0.024 0.000 1.138 310 S HN 0.764 nan 8.310 nan 0.000 0.550 311 R N 0.677 121.146 120.500 -0.051 0.000 2.356 311 R HA 0.237 4.577 4.340 0.001 0.000 0.234 311 R C 1.744 178.024 176.300 -0.034 0.000 0.929 311 R CA 0.442 56.501 56.100 -0.067 0.000 1.084 311 R CB -0.321 29.931 30.300 -0.081 0.000 1.105 311 R HN 0.633 nan 8.270 nan 0.000 0.515 312 A N 2.429 125.237 122.820 -0.019 0.000 1.940 312 A HA -0.096 4.225 4.320 0.001 0.000 0.219 312 A C -0.526 177.059 177.584 0.001 0.000 1.176 312 A CA 1.124 53.158 52.037 -0.005 0.000 0.631 312 A CB -1.022 17.976 19.000 -0.003 0.000 0.814 312 A HN 0.144 nan 8.150 nan 0.000 0.446 313 P HA -0.139 nan 4.420 nan 0.000 0.219 313 P C 1.266 178.575 177.300 0.016 0.000 1.146 313 P CA 0.753 63.858 63.100 0.008 0.000 0.808 313 P CB -0.172 31.534 31.700 0.010 0.000 0.779 314 L N -0.978 120.250 121.223 0.009 0.000 2.187 314 L HA -0.208 4.132 4.340 0.001 0.000 0.213 314 L C 2.112 179.011 176.870 0.048 0.000 1.100 314 L CA 1.216 56.077 54.840 0.035 0.000 0.765 314 L CB -0.779 41.300 42.059 0.033 0.000 0.904 314 L HN 0.052 nan 8.230 nan 0.000 0.437 315 Q N -0.866 118.954 119.800 0.033 0.000 2.451 315 Q HA 0.061 4.402 4.340 0.001 0.000 0.206 315 Q C 0.585 176.601 176.000 0.026 0.000 0.947 315 Q CA 0.373 56.195 55.803 0.031 0.000 0.937 315 Q CB -0.263 28.490 28.738 0.024 0.000 1.025 315 Q HN 0.332 nan 8.270 nan 0.000 0.511 316 T N 1.637 116.206 114.554 0.025 0.000 2.761 316 T HA 0.122 4.472 4.350 0.001 0.000 0.296 316 T C 1.404 176.119 174.700 0.024 0.000 0.934 316 T CA 0.277 62.390 62.100 0.021 0.000 1.091 316 T CB 1.288 70.167 68.868 0.019 0.000 0.896 316 T HN 0.347 nan 8.240 nan 0.000 0.515 317 T N -0.175 114.392 114.554 0.020 0.000 2.937 317 T HA -0.038 4.313 4.350 0.001 0.000 0.260 317 T C 0.800 175.510 174.700 0.018 0.000 1.051 317 T CA 0.203 62.315 62.100 0.020 0.000 1.141 317 T CB -0.054 68.823 68.868 0.016 0.000 0.879 317 T HN 0.531 nan 8.240 nan 0.000 0.459 318 D N 1.886 122.294 120.400 0.014 0.000 2.346 318 D HA 0.035 4.676 4.640 0.001 0.000 0.260 318 D C 1.284 177.593 176.300 0.015 0.000 1.252 318 D CA -0.034 53.974 54.000 0.012 0.000 0.895 318 D CB 1.591 42.397 40.800 0.009 0.000 1.097 318 D HN 0.061 nan 8.370 nan 0.000 0.489 319 V N 5.679 125.602 119.914 0.015 0.000 2.490 319 V HA -0.231 3.890 4.120 0.001 0.000 0.250 319 V C 2.136 178.240 176.094 0.016 0.000 1.061 319 V CA 1.278 63.590 62.300 0.019 0.000 1.064 319 V CB -0.277 31.557 31.823 0.017 0.000 0.670 319 V HN 0.555 nan 8.190 nan 0.000 0.461 320 L N -0.043 121.186 121.223 0.010 0.000 2.093 320 L HA -0.138 4.203 4.340 0.001 0.000 0.208 320 L C 2.434 179.308 176.870 0.006 0.000 1.085 320 L CA 1.987 56.831 54.840 0.006 0.000 0.755 320 L CB -0.746 41.314 42.059 0.002 0.000 0.904 320 L HN 0.418 nan 8.230 nan 0.000 0.435 321 Q N -1.269 118.535 119.800 0.008 0.000 2.123 321 Q HA -0.172 4.168 4.340 0.001 0.000 0.199 321 Q C 2.285 178.292 176.000 0.012 0.000 0.966 321 Q CA 1.110 56.917 55.803 0.008 0.000 0.845 321 Q CB -0.142 28.601 28.738 0.008 0.000 0.907 321 Q HN 0.428 nan 8.270 nan 0.000 0.439 322 R N 0.604 121.114 120.500 0.018 0.000 2.081 322 R HA -0.129 4.212 4.340 0.001 0.000 0.235 322 R C 2.120 178.437 176.300 0.029 0.000 1.131 322 R CA 1.212 57.327 56.100 0.025 0.000 0.960 322 R CB -0.204 30.116 30.300 0.032 0.000 0.856 322 R HN 0.224 nan 8.270 nan 0.000 0.436 323 A N 0.798 123.634 122.820 0.026 0.000 1.940 323 A HA -0.220 4.101 4.320 0.001 0.000 0.219 323 A C 1.968 179.551 177.584 -0.001 0.000 1.176 323 A CA 1.818 53.869 52.037 0.023 0.000 0.631 323 A CB -0.490 18.519 19.000 0.015 0.000 0.814 323 A HN 0.479 nan 8.150 nan 0.000 0.446 324 E N 0.128 120.327 120.200 -0.002 0.000 2.072 324 E HA -0.181 4.170 4.350 0.001 0.000 0.191 324 E C 2.074 178.674 176.600 -0.001 0.000 0.985 324 E CA 1.768 58.164 56.400 -0.007 0.000 0.801 324 E CB -0.408 29.290 29.700 -0.005 0.000 0.750 324 E HN 0.703 nan 8.360 nan 0.000 0.452 325 Q N -0.499 119.305 119.800 0.007 0.000 2.124 325 Q HA -0.084 4.256 4.340 0.001 0.000 0.202 325 Q C 2.237 178.246 176.000 0.016 0.000 0.977 325 Q CA 1.439 57.248 55.803 0.010 0.000 0.850 325 Q CB 0.049 28.794 28.738 0.012 0.000 0.901 325 Q HN 0.195 nan 8.270 nan 0.000 0.429 326 V N 0.890 120.817 119.914 0.023 0.000 2.343 326 V HA -0.241 3.880 4.120 0.001 0.000 0.247 326 V C 2.038 178.148 176.094 0.028 0.000 1.051 326 V CA 1.488 63.811 62.300 0.038 0.000 1.036 326 V CB -0.335 31.530 31.823 0.070 0.000 0.654 326 V HN 0.375 nan 8.190 nan 0.000 0.451 327 L N -0.652 120.567 121.223 -0.007 0.000 2.291 327 L HA -0.148 4.193 4.340 0.001 0.000 0.214 327 L C 2.574 179.464 176.870 0.033 0.000 1.120 327 L CA 1.136 55.976 54.840 -0.001 0.000 0.799 327 L CB -0.481 41.549 42.059 -0.049 0.000 0.925 327 L HN 0.408 nan 8.230 nan 0.000 0.446 328 Q N -0.396 119.416 119.800 0.020 0.000 2.172 328 Q HA -0.110 4.230 4.340 0.001 0.000 0.200 328 Q C 1.684 177.698 176.000 0.023 0.000 0.964 328 Q CA 0.834 56.648 55.803 0.019 0.000 0.855 328 Q CB -0.050 28.694 28.738 0.010 0.000 0.918 328 Q HN 0.475 nan 8.270 nan 0.000 0.444 329 N N 0.600 119.315 118.700 0.025 0.000 2.396 329 N HA -0.051 4.690 4.740 0.001 0.000 0.180 329 N C 1.442 176.969 175.510 0.028 0.000 1.028 329 N CA 0.932 53.992 53.050 0.017 0.000 0.893 329 N CB 0.059 38.554 38.487 0.013 0.000 0.967 329 N HN 0.212 nan 8.380 nan 0.000 0.440 330 A N 0.963 123.826 122.820 0.071 0.000 1.929 330 A HA -0.051 4.270 4.320 0.001 0.000 0.216 330 A C 2.002 179.634 177.584 0.080 0.000 1.176 330 A CA 0.912 53.016 52.037 0.112 0.000 0.628 330 A CB -0.282 18.877 19.000 0.266 0.000 0.816 330 A HN 0.257 nan 8.150 nan 0.000 0.444 331 E N 0.102 120.341 120.200 0.064 0.000 2.204 331 E HA -0.161 4.190 4.350 0.001 0.000 0.195 331 E C 1.726 178.349 176.600 0.038 0.000 0.990 331 E CA 1.012 57.442 56.400 0.050 0.000 0.821 331 E CB -0.103 29.617 29.700 0.034 0.000 0.750 331 E HN 0.570 nan 8.360 nan 0.000 0.477 332 K N 0.257 120.669 120.400 0.020 0.000 2.280 332 K HA -0.084 4.237 4.320 0.001 0.000 0.202 332 K C 1.552 178.156 176.600 0.006 0.000 1.047 332 K CA 0.768 57.059 56.287 0.006 0.000 0.942 332 K CB 0.100 32.592 32.500 -0.013 0.000 0.739 332 K HN 0.189 nan 8.250 nan 0.000 0.457 333 L N -0.104 121.123 121.223 0.007 0.000 2.728 333 L HA 0.144 4.485 4.340 0.001 0.000 0.238 333 L C -0.123 176.856 176.870 0.183 0.000 1.143 333 L CA -0.222 54.639 54.840 0.035 0.000 0.937 333 L CB -0.089 41.847 42.059 -0.205 0.000 1.225 333 L HN 0.131 nan 8.230 nan 0.000 0.507 334 D N -0.748 119.726 120.400 0.123 0.000 2.800 334 D HA -0.223 4.418 4.640 0.001 0.000 0.232 334 D C 0.220 176.640 176.300 0.200 0.000 1.137 334 D CA 0.466 54.547 54.000 0.134 0.000 0.718 334 D CB -1.313 39.567 40.800 0.134 0.000 1.084 334 D HN 0.362 nan 8.370 nan 0.000 0.432 335 C N 0.481 119.888 119.300 0.177 0.000 2.863 335 C HA 0.299 4.760 4.460 0.001 0.000 0.284 335 C C 1.166 176.246 174.990 0.149 0.000 1.426 335 C CA -0.546 58.593 59.018 0.202 0.000 1.782 335 C CB -0.995 26.845 27.740 0.167 0.000 2.554 335 C HN 0.334 nan 8.230 nan 0.000 0.566 336 R N 2.217 122.794 120.500 0.128 0.000 3.701 336 R HA 0.156 4.496 4.340 0.001 0.000 0.210 336 R C -0.384 175.972 176.300 0.093 0.000 1.598 336 R CA 0.433 56.636 56.100 0.171 0.000 1.427 336 R CB -0.308 30.047 30.300 0.092 0.000 1.339 336 R HN 0.248 nan 8.270 nan 0.000 0.720 337 K N 2.018 122.507 120.400 0.150 0.000 2.316 337 K HA 0.191 4.512 4.320 0.001 0.000 0.251 337 K C -0.162 176.627 176.600 0.315 0.000 0.934 337 K CA -0.815 55.488 56.287 0.027 0.000 0.802 337 K CB 1.226 33.597 32.500 -0.216 0.000 1.171 337 K HN 0.325 nan 8.250 nan 0.000 0.426 338 Y N -1.386 118.969 120.300 0.091 0.000 2.802 338 Y HA -0.388 4.163 4.550 0.001 0.000 0.485 338 Y C 0.530 176.457 175.900 0.046 0.000 1.190 338 Y CA 0.828 58.989 58.100 0.102 0.000 2.757 338 Y CB -1.252 37.309 38.460 0.168 0.000 0.919 338 Y HN 0.507 nan 8.280 nan 0.000 0.540 339 L N 2.542 123.892 121.223 0.211 0.000 2.326 339 L HA 0.541 4.882 4.340 0.001 0.000 0.278 339 L C 0.493 177.320 176.870 -0.071 0.000 1.092 339 L CA 0.447 55.280 54.840 -0.010 0.000 0.810 339 L CB 1.094 42.974 42.059 -0.299 0.000 1.153 339 L HN 0.304 nan 8.230 nan 0.000 0.439 340 T N 1.402 115.914 114.554 -0.070 0.000 2.942 340 T HA 0.556 4.907 4.350 0.001 0.000 0.289 340 T C -2.151 172.510 174.700 -0.065 0.000 1.044 340 T CA -1.862 60.201 62.100 -0.063 0.000 1.023 340 T CB 1.562 70.401 68.868 -0.048 0.000 1.123 340 T HN 0.380 nan 8.240 nan 0.000 0.512 341 P HA -0.148 nan 4.420 nan 0.000 0.216 341 P C 1.840 179.126 177.300 -0.023 0.000 1.153 341 P CA 1.911 64.990 63.100 -0.034 0.000 0.858 341 P CB -0.254 31.432 31.700 -0.024 0.000 0.789 342 T N -2.870 111.668 114.554 -0.026 0.000 2.821 342 T HA -0.025 4.326 4.350 0.001 0.000 0.267 342 T C 1.949 176.635 174.700 -0.023 0.000 1.046 342 T CA 1.153 63.240 62.100 -0.022 0.000 1.139 342 T CB -1.217 67.635 68.868 -0.025 0.000 0.871 342 T HN -0.000 nan 8.240 nan 0.000 0.454 343 A N 1.275 124.076 122.820 -0.032 0.000 1.969 343 A HA 0.211 4.532 4.320 0.001 0.000 0.218 343 A C 2.394 179.975 177.584 -0.005 0.000 1.169 343 A CA 1.394 53.411 52.037 -0.032 0.000 0.635 343 A CB -0.730 18.242 19.000 -0.046 0.000 0.810 343 A HN 0.569 nan 8.150 nan 0.000 0.445 344 M N -0.364 119.235 119.600 -0.001 0.000 2.077 344 M HA -0.104 4.377 4.480 0.001 0.000 0.261 344 M C 1.850 178.174 176.300 0.041 0.000 1.070 344 M CA 1.964 57.291 55.300 0.044 0.000 1.125 344 M CB -0.178 32.447 32.600 0.042 0.000 1.339 344 M HN 0.175 nan 8.290 nan 0.000 0.409 345 V N 1.043 120.969 119.914 0.020 0.000 2.594 345 V HA -0.200 3.921 4.120 0.001 0.000 0.253 345 V C 2.510 178.608 176.094 0.006 0.000 1.069 345 V CA 1.717 64.025 62.300 0.013 0.000 1.082 345 V CB -1.327 30.500 31.823 0.006 0.000 0.680 345 V HN 0.655 nan 8.190 nan 0.000 0.469 346 A N -0.373 122.449 122.820 0.002 0.000 2.167 346 A HA 0.341 4.661 4.320 0.001 0.000 0.214 346 A C 1.956 179.542 177.584 0.003 0.000 1.151 346 A CA 0.946 52.980 52.037 -0.004 0.000 0.735 346 A CB -0.593 18.398 19.000 -0.015 0.000 0.802 346 A HN 1.236 nan 8.150 nan 0.000 0.467 347 G N 0.146 108.957 108.800 0.018 0.000 2.246 347 G HA2 -0.288 3.672 3.960 0.001 0.000 0.273 347 G HA3 -0.288 3.672 3.960 0.001 0.000 0.273 347 G C -0.009 174.912 174.900 0.036 0.000 1.055 347 G CA 0.234 45.354 45.100 0.034 0.000 0.851 347 G HN 0.632 nan 8.290 nan 0.000 0.500 348 N N 0.508 119.220 118.700 0.019 0.000 2.429 348 N HA 0.142 4.883 4.740 0.001 0.000 0.271 348 N C -0.446 175.073 175.510 0.015 0.000 1.272 348 N CA -0.908 52.132 53.050 -0.016 0.000 0.921 348 N CB 1.013 39.463 38.487 -0.061 0.000 1.128 348 N HN 0.092 nan 8.380 nan 0.000 0.481 349 P HA -0.155 nan 4.420 nan 0.000 0.216 349 P C 0.790 178.077 177.300 -0.021 0.000 1.153 349 P CA 1.763 64.900 63.100 0.061 0.000 0.858 349 P CB 0.357 32.085 31.700 0.047 0.000 0.789 350 K N -0.531 119.723 120.400 -0.243 0.000 1.991 350 K HA -0.026 4.295 4.320 0.001 0.000 0.207 350 K C 2.169 178.614 176.600 -0.258 0.000 1.045 350 K CA 1.173 57.102 56.287 -0.596 0.000 0.937 350 K CB -0.920 30.813 32.500 -1.279 0.000 0.720 350 K HN 0.120 nan 8.250 nan 0.000 0.438 351 L N 1.531 122.667 121.223 -0.146 0.000 2.083 351 L HA -0.179 4.161 4.340 0.001 0.000 0.209 351 L C 2.163 179.112 176.870 0.133 0.000 1.083 351 L CA 0.925 55.781 54.840 0.027 0.000 0.752 351 L CB -0.541 41.517 42.059 -0.000 0.000 0.899 351 L HN 0.283 nan 8.230 nan 0.000 0.433 352 N N 0.123 118.921 118.700 0.164 0.000 2.216 352 N HA -0.138 4.603 4.740 0.001 0.000 0.183 352 N C 1.878 177.626 175.510 0.396 0.000 1.017 352 N CA 1.006 54.275 53.050 0.366 0.000 0.861 352 N CB -0.020 38.736 38.487 0.448 0.000 0.986 352 N HN 0.193 nan 8.380 nan 0.000 0.428 353 L N 1.480 122.770 121.223 0.111 0.000 2.027 353 L HA -0.033 4.307 4.340 0.001 0.000 0.206 353 L C 2.223 179.045 176.870 -0.079 0.000 1.074 353 L CA 1.551 56.240 54.840 -0.251 0.000 0.745 353 L CB -0.762 41.116 42.059 -0.302 0.000 0.898 353 L HN 0.050 nan 8.230 nan 0.000 0.433 354 A N -0.774 122.022 122.820 -0.040 0.000 1.902 354 A HA -0.268 4.053 4.320 0.001 0.000 0.217 354 A C 2.271 179.772 177.584 -0.137 0.000 1.181 354 A CA 1.875 53.721 52.037 -0.317 0.000 0.623 354 A CB -1.250 17.233 19.000 -0.862 0.000 0.818 354 A HN 0.575 nan 8.150 nan 0.000 0.443 355 F N 1.005 120.940 119.950 -0.025 0.000 2.043 355 F HA -0.209 4.319 4.527 0.002 0.000 0.297 355 F C 2.232 178.121 175.800 0.149 0.000 1.121 355 F CA 2.285 60.358 58.000 0.122 0.000 1.199 355 F CB -0.584 38.467 39.000 0.086 0.000 0.968 355 F HN 0.024 nan 8.300 nan 0.000 0.478 356 V N 0.751 120.797 119.914 0.219 0.000 2.392 356 V HA -0.316 3.804 4.120 0.001 0.000 0.249 356 V C 2.750 178.882 176.094 0.065 0.000 1.059 356 V CA 1.725 64.148 62.300 0.205 0.000 1.051 356 V CB -1.713 30.502 31.823 0.653 0.000 0.658 356 V HN 0.553 nan 8.190 nan 0.000 0.455 357 A N -0.656 122.168 122.820 0.007 0.000 1.877 357 A HA -0.297 4.024 4.320 0.001 0.000 0.216 357 A C 2.290 179.881 177.584 0.010 0.000 1.186 357 A CA 2.020 54.032 52.037 -0.042 0.000 0.620 357 A CB -0.919 18.022 19.000 -0.099 0.000 0.822 357 A HN 0.684 nan 8.150 nan 0.000 0.443 358 H N -0.634 118.406 119.070 -0.051 0.000 2.387 358 H HA -0.113 4.444 4.556 0.002 0.000 0.299 358 H C 1.997 177.282 175.328 -0.071 0.000 1.090 358 H CA 1.856 57.895 56.048 -0.014 0.000 1.332 358 H CB -0.149 29.666 29.762 0.088 0.000 1.386 358 H HN 0.340 nan 8.280 nan 0.000 0.516 359 L N 0.529 121.701 121.223 -0.086 0.000 2.083 359 L HA -0.144 4.197 4.340 0.001 0.000 0.209 359 L C 2.363 179.180 176.870 -0.088 0.000 1.083 359 L CA 1.474 56.263 54.840 -0.085 0.000 0.752 359 L CB -1.047 40.912 42.059 -0.167 0.000 0.899 359 L HN 0.217 nan 8.230 nan 0.000 0.433 360 F N -0.031 119.663 119.950 -0.427 0.000 2.206 360 F HA -0.140 4.388 4.527 0.001 0.000 0.298 360 F C 2.144 177.659 175.800 -0.476 0.000 1.090 360 F CA 1.392 58.915 58.000 -0.796 0.000 1.323 360 F CB -0.310 38.053 39.000 -1.062 0.000 1.028 360 F HN 0.202 nan 8.300 nan 0.000 0.492 361 N N -0.136 118.333 118.700 -0.384 0.000 2.270 361 N HA -0.110 4.631 4.740 0.001 0.000 0.181 361 N C 1.814 177.044 175.510 -0.466 0.000 1.016 361 N CA 1.951 54.747 53.050 -0.423 0.000 0.870 361 N CB -0.751 37.581 38.487 -0.258 0.000 0.979 361 N HN 0.500 nan 8.380 nan 0.000 0.431 362 T N -3.138 111.121 114.554 -0.493 0.000 3.037 362 T HA 0.101 4.452 4.350 0.001 0.000 0.252 362 T C 0.563 174.809 174.700 -0.756 0.000 1.073 362 T CA 0.445 62.203 62.100 -0.570 0.000 1.091 362 T CB 0.084 68.611 68.868 -0.568 0.000 0.935 362 T HN 0.162 nan 8.240 nan 0.000 0.488 363 H N 0.790 119.745 119.070 -0.192 0.000 2.616 363 H HA 0.294 4.851 4.556 0.001 0.000 0.229 363 H C -2.269 173.082 175.328 0.037 0.000 1.418 363 H CA -1.554 54.452 56.048 -0.070 0.000 1.248 363 H CB 1.166 30.917 29.762 -0.020 0.000 1.822 363 H HN 0.217 nan 8.280 nan 0.000 0.522 364 P HA -0.153 nan 4.420 nan 0.000 0.217 364 P C 1.335 178.972 177.300 0.561 0.000 1.151 364 P CA 2.311 65.456 63.100 0.075 0.000 0.849 364 P CB 0.256 31.827 31.700 -0.214 0.000 0.787 365 G N -1.654 107.337 108.800 0.318 0.000 2.249 365 G HA2 -0.252 3.708 3.960 0.001 0.000 0.273 365 G HA3 -0.252 3.708 3.960 0.001 0.000 0.273 365 G C -0.234 174.917 174.900 0.418 0.000 1.036 365 G CA -0.103 45.190 45.100 0.321 0.000 0.824 365 G HN 0.292 nan 8.290 nan 0.000 0.504 366 L N -0.422 120.977 121.223 0.294 0.000 2.329 366 L HA 0.526 4.867 4.340 0.001 0.000 0.279 366 L C 0.401 177.351 176.870 0.133 0.000 1.014 366 L CA -0.892 54.081 54.840 0.221 0.000 0.814 366 L CB 1.693 43.842 42.059 0.150 0.000 1.257 366 L HN 0.131 nan 8.230 nan 0.000 0.424 367 E N 2.943 123.216 120.200 0.121 0.000 2.194 367 E HA 0.322 4.673 4.350 0.001 0.000 0.284 367 E C -1.820 174.811 176.600 0.052 0.000 1.035 367 E CA -1.547 54.903 56.400 0.082 0.000 0.836 367 E CB 0.680 30.431 29.700 0.085 0.000 1.070 367 E HN 0.418 nan 8.360 nan 0.000 0.401 383 E N 0.683 120.839 120.200 -0.074 0.000 2.106 383 E HA -0.010 4.341 4.350 0.001 0.000 0.192 383 E C 1.828 178.352 176.600 -0.127 0.000 0.984 383 E CA 1.651 57.988 56.400 -0.105 0.000 0.806 383 E CB -0.421 29.219 29.700 -0.100 0.000 0.750 383 E HN 0.559 nan 8.360 nan 0.000 0.458 384 G N 0.847 109.598 108.800 -0.082 0.000 2.418 384 G HA2 -0.258 3.703 3.960 0.001 0.000 0.217 384 G HA3 -0.258 3.703 3.960 0.001 0.000 0.217 384 G C 1.477 176.361 174.900 -0.027 0.000 1.158 384 G CA 0.708 45.781 45.100 -0.045 0.000 0.771 384 G HN 0.182 nan 8.290 nan 0.000 0.545 385 E N 0.456 120.644 120.200 -0.019 0.000 2.072 385 E HA -0.048 4.302 4.350 0.001 0.000 0.191 385 E C 2.805 179.331 176.600 -0.123 0.000 0.985 385 E CA 0.436 56.836 56.400 -0.001 0.000 0.801 385 E CB -0.210 29.493 29.700 0.006 0.000 0.750 385 E HN 0.179 nan 8.360 nan 0.000 0.452 386 R N 0.967 121.374 120.500 -0.156 0.000 2.073 386 R HA -0.078 4.263 4.340 0.001 0.000 0.234 386 R C 2.180 178.264 176.300 -0.360 0.000 1.134 386 R CA 0.965 56.942 56.100 -0.204 0.000 0.952 386 R CB -0.524 29.676 30.300 -0.167 0.000 0.850 386 R HN 0.391 nan 8.270 nan 0.000 0.433 387 E N 0.432 120.339 120.200 -0.487 0.000 2.085 387 E HA -0.155 4.196 4.350 0.001 0.000 0.194 387 E C 2.003 177.887 176.600 -1.192 0.000 0.994 387 E CA 1.278 57.114 56.400 -0.940 0.000 0.801 387 E CB -0.156 28.981 29.700 -0.938 0.000 0.743 387 E HN 0.312 nan 8.360 nan 0.000 0.453 388 A N 1.541 123.838 122.820 -0.873 0.000 1.908 388 A HA -0.224 4.096 4.320 0.001 0.000 0.218 388 A C 2.102 179.263 177.584 -0.705 0.000 1.181 388 A CA 1.540 52.899 52.037 -1.129 0.000 0.627 388 A CB -0.431 18.110 19.000 -0.766 0.000 0.818 388 A HN 0.080 nan 8.150 nan 0.000 0.445 389 R N -0.964 119.293 120.500 -0.405 0.000 2.092 389 R HA -0.031 4.310 4.340 0.001 0.000 0.231 389 R C 2.022 178.206 176.300 -0.193 0.000 1.119 389 R CA 1.275 57.240 56.100 -0.225 0.000 0.970 389 R CB -0.372 29.844 30.300 -0.140 0.000 0.864 389 R HN 0.400 nan 8.270 nan 0.000 0.440 390 V N 0.325 120.086 119.914 -0.256 0.000 2.358 390 V HA -0.203 3.918 4.120 0.001 0.000 0.246 390 V C 1.945 178.047 176.094 0.013 0.000 1.047 390 V CA 1.696 63.917 62.300 -0.133 0.000 1.035 390 V CB -0.471 31.232 31.823 -0.201 0.000 0.658 390 V HN 0.286 nan 8.190 nan 0.000 0.452 391 F N 0.120 119.950 119.950 -0.200 0.000 2.186 391 F HA -0.185 4.342 4.527 0.001 0.000 0.299 391 F C 2.647 178.453 175.800 0.010 0.000 1.090 391 F CA 1.194 59.164 58.000 -0.049 0.000 1.307 391 F CB -0.549 38.374 39.000 -0.127 0.000 1.019 391 F HN 0.149 nan 8.300 nan 0.000 0.489 392 T N 1.120 115.721 114.554 0.079 0.000 2.708 392 T HA -0.161 4.189 4.350 0.001 0.000 0.266 392 T C 2.026 176.665 174.700 -0.102 0.000 1.037 392 T CA 1.093 63.215 62.100 0.037 0.000 1.146 392 T CB -0.461 68.392 68.868 -0.025 0.000 0.865 392 T HN 0.159 nan 8.240 nan 0.000 0.435 393 L N -0.813 120.308 121.223 -0.170 0.000 2.046 393 L HA -0.084 4.257 4.340 0.001 0.000 0.208 393 L C 2.418 178.867 176.870 -0.701 0.000 1.077 393 L CA 1.437 56.066 54.840 -0.350 0.000 0.747 393 L CB -0.469 41.425 42.059 -0.276 0.000 0.896 393 L HN 0.400 nan 8.230 nan 0.000 0.432 394 W N 0.930 121.699 121.300 -0.885 0.000 2.353 394 W HA -0.216 4.444 4.660 0.001 0.000 0.319 394 W C 2.290 178.586 176.519 -0.373 0.000 1.207 394 W CA 1.522 58.369 57.345 -0.830 0.000 1.291 394 W CB -0.514 28.743 29.460 -0.338 0.000 1.159 394 W HN -0.066 nan 8.180 nan 0.000 0.478 395 L N 0.953 121.931 121.223 -0.409 0.000 2.042 395 L HA -0.309 4.032 4.340 0.001 0.000 0.210 395 L C 2.275 178.890 176.870 -0.425 0.000 1.076 395 L CA 1.693 56.198 54.840 -0.558 0.000 0.749 395 L CB -1.077 40.847 42.059 -0.225 0.000 0.893 395 L HN 0.067 nan 8.230 nan 0.000 0.432 396 N N -0.441 118.073 118.700 -0.309 0.000 2.289 396 N HA -0.149 4.592 4.740 0.001 0.000 0.184 396 N C 2.064 177.437 175.510 -0.229 0.000 1.016 396 N CA 1.509 54.415 53.050 -0.239 0.000 0.872 396 N CB -0.248 38.116 38.487 -0.205 0.000 0.973 396 N HN 0.380 nan 8.380 nan 0.000 0.433 397 S N 0.125 115.648 115.700 -0.294 0.000 2.474 397 S HA 0.006 4.477 4.470 0.001 0.000 0.235 397 S C 1.666 176.164 174.600 -0.169 0.000 0.997 397 S CA 0.445 58.550 58.200 -0.160 0.000 0.949 397 S CB -0.349 62.827 63.200 -0.040 0.000 0.766 397 S HN 0.272 nan 8.310 nan 0.000 0.517 398 L N 1.055 122.095 121.223 -0.306 0.000 2.591 398 L HA 0.196 4.537 4.340 0.001 0.000 0.228 398 L C 0.577 177.343 176.870 -0.172 0.000 1.133 398 L CA 0.281 54.961 54.840 -0.267 0.000 0.880 398 L CB -0.603 41.203 42.059 -0.422 0.000 1.033 398 L HN 0.243 nan 8.230 nan 0.000 0.450 399 D N 1.143 121.453 120.400 -0.151 0.000 2.775 399 D HA -0.134 4.507 4.640 0.001 0.000 0.235 399 D C 0.066 176.305 176.300 -0.102 0.000 1.120 399 D CA 0.574 54.511 54.000 -0.105 0.000 0.708 399 D CB -0.906 39.852 40.800 -0.070 0.000 1.084 399 D HN 0.139 nan 8.370 nan 0.000 0.434 400 V N -2.080 117.759 119.914 -0.125 0.000 2.655 400 V HA 0.298 4.419 4.120 0.001 0.000 0.300 400 V C 2.019 178.067 176.094 -0.077 0.000 1.044 400 V CA 0.409 62.651 62.300 -0.097 0.000 1.095 400 V CB 0.905 32.664 31.823 -0.108 0.000 0.952 400 V HN 0.181 nan 8.190 nan 0.000 0.485 401 T N 5.195 119.712 114.554 -0.063 0.000 2.276 401 T HA -0.097 4.254 4.350 0.001 0.000 0.218 401 T C -1.405 173.275 174.700 -0.033 0.000 1.547 401 T CA 2.105 64.175 62.100 -0.050 0.000 1.225 401 T CB -1.692 67.144 68.868 -0.054 0.000 0.864 401 T HN 0.832 nan 8.240 nan 0.000 0.391 402 P HA 0.334 nan 4.420 nan 0.000 0.269 402 P C -0.513 176.775 177.300 -0.020 0.000 1.263 402 P CA -0.047 63.055 63.100 0.003 0.000 0.813 402 P CB 0.028 31.738 31.700 0.016 0.000 0.868 403 S N 3.091 118.775 115.700 -0.026 0.000 2.554 403 S HA 0.015 4.486 4.470 0.001 0.000 0.290 403 S C 0.835 175.308 174.600 -0.212 0.000 1.309 403 S CA -0.029 58.096 58.200 -0.125 0.000 1.047 403 S CB -0.046 63.078 63.200 -0.127 0.000 0.828 403 S HN 0.315 nan 8.310 nan 0.000 0.509 404 I N 2.918 123.317 120.570 -0.285 0.000 2.474 404 I HA 0.163 4.333 4.170 0.001 0.000 0.287 404 I C 1.065 176.895 176.117 -0.478 0.000 1.048 404 I CA -0.003 61.149 61.300 -0.245 0.000 1.383 404 I CB 0.471 38.397 38.000 -0.122 0.000 1.412 404 I HN 0.720 nan 8.210 nan 0.000 0.531 405 H N 2.883 121.959 119.070 0.009 0.000 3.398 405 H HA 0.217 4.774 4.556 0.001 0.000 0.260 405 H C -0.714 174.636 175.328 0.037 0.000 1.189 405 H CA 0.059 56.113 56.048 0.010 0.000 1.145 405 H CB 1.055 30.814 29.762 -0.006 0.000 1.599 405 H HN 0.505 nan 8.280 nan 0.000 0.615 406 D N 0.217 120.690 120.400 0.121 0.000 2.411 406 D HA -0.004 4.637 4.640 0.001 0.000 0.239 406 D C 0.502 176.860 176.300 0.097 0.000 1.307 406 D CA -0.489 53.590 54.000 0.133 0.000 0.930 406 D CB -0.217 40.666 40.800 0.140 0.000 1.395 406 D HN -0.093 nan 8.370 nan 0.000 0.536 407 F N 2.183 122.061 119.950 -0.121 0.000 2.115 407 F HA -0.136 4.391 4.527 0.001 0.000 0.300 407 F C 1.188 176.804 175.800 -0.307 0.000 1.092 407 F CA 1.635 59.467 58.000 -0.280 0.000 1.245 407 F CB -0.067 38.634 39.000 -0.499 0.000 0.995 407 F HN 0.286 nan 8.300 nan 0.000 0.481 408 F N -0.137 119.932 119.950 0.198 0.000 2.816 408 F HA 0.020 4.548 4.527 0.002 0.000 0.302 408 F C 1.597 177.404 175.800 0.012 0.000 1.178 408 F CA 0.239 58.293 58.000 0.090 0.000 1.421 408 F CB -0.311 38.788 39.000 0.164 0.000 1.114 408 F HN 0.075 nan 8.300 nan 0.000 0.573 409 N N -1.185 117.573 118.700 0.095 0.000 2.324 409 N HA -0.002 4.739 4.740 0.001 0.000 0.235 409 N C 0.969 176.480 175.510 0.002 0.000 1.162 409 N CA 0.212 53.301 53.050 0.065 0.000 0.834 409 N CB -0.095 38.448 38.487 0.094 0.000 1.354 409 N HN 0.080 nan 8.380 nan 0.000 0.471 410 N N 1.234 119.914 118.700 -0.033 0.000 2.550 410 N HA 0.064 4.805 4.740 0.001 0.000 0.186 410 N C 1.256 176.712 175.510 -0.090 0.000 1.110 410 N CA 0.481 53.502 53.050 -0.047 0.000 0.912 410 N CB 0.193 38.655 38.487 -0.042 0.000 0.968 410 N HN 0.348 nan 8.380 nan 0.000 0.448 411 L N -0.367 120.765 121.223 -0.152 0.000 2.693 411 L HA 0.256 4.596 4.340 0.001 0.000 0.235 411 L C 1.739 178.564 176.870 -0.075 0.000 1.127 411 L CA -0.078 54.673 54.840 -0.150 0.000 0.914 411 L CB 0.185 42.073 42.059 -0.285 0.000 1.193 411 L HN -0.030 nan 8.230 nan 0.000 0.502 412 R N 1.275 121.748 120.500 -0.044 0.000 2.120 412 R HA -0.159 4.182 4.340 0.001 0.000 0.234 412 R C 1.269 177.569 176.300 0.001 0.000 1.123 412 R CA 1.731 57.826 56.100 -0.008 0.000 0.975 412 R CB -0.223 30.083 30.300 0.011 0.000 0.866 412 R HN 0.462 nan 8.270 nan 0.000 0.446 413 D N -1.157 119.243 120.400 0.000 0.000 2.328 413 D HA 0.059 4.700 4.640 0.001 0.000 0.221 413 D C 1.126 177.437 176.300 0.019 0.000 1.072 413 D CA 0.629 54.633 54.000 0.005 0.000 0.850 413 D CB 0.250 41.053 40.800 0.005 0.000 0.922 413 D HN 0.230 nan 8.370 nan 0.000 0.516 414 G N 0.476 109.287 108.800 0.018 0.000 2.220 414 G HA2 -0.393 3.568 3.960 0.001 0.000 0.269 414 G HA3 -0.393 3.568 3.960 0.001 0.000 0.269 414 G C 1.076 176.012 174.900 0.061 0.000 0.977 414 G CA 0.710 45.829 45.100 0.033 0.000 0.634 414 G HN 0.441 nan 8.290 nan 0.000 0.539 415 L N 0.060 121.331 121.223 0.081 0.000 2.056 415 L HA -0.025 4.316 4.340 0.001 0.000 0.207 415 L C 2.928 179.886 176.870 0.147 0.000 1.078 415 L CA 1.181 56.115 54.840 0.157 0.000 0.749 415 L CB -0.523 41.618 42.059 0.137 0.000 0.901 415 L HN 0.236 nan 8.230 nan 0.000 0.433 416 I N 0.071 120.675 120.570 0.056 0.000 2.179 416 I HA -0.282 3.889 4.170 0.001 0.000 0.242 416 I C 2.550 178.670 176.117 0.005 0.000 1.088 416 I CA 1.671 62.977 61.300 0.010 0.000 1.357 416 I CB -0.905 37.066 38.000 -0.049 0.000 1.051 416 I HN 0.257 nan 8.210 nan 0.000 0.409 417 L N -0.028 121.197 121.223 0.002 0.000 2.046 417 L HA -0.220 4.121 4.340 0.001 0.000 0.208 417 L C 2.642 179.559 176.870 0.079 0.000 1.077 417 L CA 1.201 56.035 54.840 -0.010 0.000 0.747 417 L CB -0.542 41.535 42.059 0.031 0.000 0.896 417 L HN 0.198 nan 8.230 nan 0.000 0.432 418 L N -0.881 120.422 121.223 0.133 0.000 2.083 418 L HA -0.244 4.097 4.340 0.001 0.000 0.209 418 L C 2.691 179.713 176.870 0.253 0.000 1.083 418 L CA 1.270 56.174 54.840 0.107 0.000 0.752 418 L CB -0.485 41.478 42.059 -0.160 0.000 0.899 418 L HN 0.354 nan 8.230 nan 0.000 0.433 419 Q N -0.341 119.664 119.800 0.342 0.000 2.084 419 Q HA -0.191 4.149 4.340 0.001 0.000 0.202 419 Q C 2.477 178.553 176.000 0.127 0.000 0.978 419 Q CA 1.555 57.547 55.803 0.315 0.000 0.844 419 Q CB -0.270 28.558 28.738 0.151 0.000 0.898 419 Q HN 0.563 nan 8.270 nan 0.000 0.426 420 A N 0.348 123.166 122.820 -0.003 0.000 1.883 420 A HA -0.233 4.088 4.320 0.001 0.000 0.217 420 A C 1.781 179.315 177.584 -0.084 0.000 1.186 420 A CA 1.457 53.407 52.037 -0.145 0.000 0.624 420 A CB -1.084 17.749 19.000 -0.279 0.000 0.822 420 A HN 0.431 nan 8.150 nan 0.000 0.444 421 Y N -0.239 120.056 120.300 -0.009 0.000 2.151 421 Y HA -0.271 4.279 4.550 0.001 0.000 0.284 421 Y C 2.414 178.312 175.900 -0.003 0.000 1.166 421 Y CA 1.703 59.790 58.100 -0.022 0.000 1.163 421 Y CB -0.238 38.151 38.460 -0.119 0.000 0.974 421 Y HN 0.322 nan 8.280 nan 0.000 0.511 422 D N -0.587 119.937 120.400 0.206 0.000 2.183 422 D HA -0.113 4.528 4.640 0.001 0.000 0.203 422 D C 1.943 178.310 176.300 0.113 0.000 0.969 422 D CA 0.932 55.041 54.000 0.182 0.000 0.842 422 D CB 0.011 41.001 40.800 0.316 0.000 0.957 422 D HN 0.090 nan 8.370 nan 0.000 0.484 423 K N 0.087 120.527 120.400 0.067 0.000 2.148 423 K HA 0.007 4.328 4.320 0.001 0.000 0.204 423 K C 2.158 178.768 176.600 0.016 0.000 1.050 423 K CA 0.481 56.776 56.287 0.012 0.000 0.942 423 K CB -0.024 32.444 32.500 -0.055 0.000 0.724 423 K HN 0.321 nan 8.250 nan 0.000 0.446 424 I N 0.371 120.958 120.570 0.030 0.000 2.480 424 I HA -0.099 4.072 4.170 0.001 0.000 0.251 424 I C 0.137 176.300 176.117 0.076 0.000 1.124 424 I CA 0.830 62.165 61.300 0.059 0.000 1.444 424 I CB 0.237 38.289 38.000 0.086 0.000 1.098 424 I HN -0.087 nan 8.210 nan 0.000 0.428 425 T N 1.984 116.589 114.554 0.085 0.000 3.103 425 T HA 0.295 4.646 4.350 0.001 0.000 0.352 425 T C -2.519 172.223 174.700 0.070 0.000 1.048 425 T CA -1.028 61.115 62.100 0.073 0.000 1.175 425 T CB 1.397 70.308 68.868 0.073 0.000 1.029 425 T HN -0.221 nan 8.240 nan 0.000 0.498 426 P HA 0.092 nan 4.420 nan 0.000 0.266 426 P C 0.399 177.738 177.300 0.065 0.000 1.193 426 P CA 0.348 63.490 63.100 0.070 0.000 0.770 426 P CB 0.275 32.007 31.700 0.053 0.000 0.836 427 N N -0.145 118.607 118.700 0.087 0.000 2.747 427 N HA -0.136 4.605 4.740 0.001 0.000 0.249 427 N C 0.450 175.982 175.510 0.036 0.000 1.107 427 N CA 1.217 54.311 53.050 0.073 0.000 0.707 427 N CB -1.799 36.719 38.487 0.051 0.000 1.054 427 N HN 0.404 nan 8.380 nan 0.000 0.555 428 T N -1.109 113.458 114.554 0.022 0.000 3.010 428 T HA 0.134 4.485 4.350 0.001 0.000 0.252 428 T C 0.970 175.590 174.700 -0.133 0.000 1.047 428 T CA 0.496 62.561 62.100 -0.058 0.000 1.140 428 T CB 0.748 69.577 68.868 -0.064 0.000 0.885 428 T HN 0.043 nan 8.240 nan 0.000 0.464 429 V N 3.097 122.923 119.914 -0.148 0.000 2.439 429 V HA 0.292 4.413 4.120 0.001 0.000 0.282 429 V C 0.066 176.017 176.094 -0.239 0.000 1.039 429 V CA -1.074 61.018 62.300 -0.346 0.000 0.913 429 V CB 1.227 32.584 31.823 -0.777 0.000 0.983 429 V HN 0.387 nan 8.190 nan 0.000 0.460 430 N N 3.358 122.003 118.700 -0.091 0.000 2.602 430 N HA 0.122 4.863 4.740 0.001 0.000 0.238 430 N C 0.303 175.772 175.510 -0.068 0.000 1.084 430 N CA -0.521 52.515 53.050 -0.022 0.000 0.952 430 N CB 0.345 38.823 38.487 -0.015 0.000 1.244 430 N HN 0.741 nan 8.380 nan 0.000 0.512 431 W N 2.551 123.898 121.300 0.078 0.000 2.632 431 W HA -0.009 4.651 4.660 0.001 0.000 0.248 431 W C 1.632 178.167 176.519 0.027 0.000 1.259 431 W CA 0.050 57.432 57.345 0.062 0.000 1.288 431 W CB 0.177 29.662 29.460 0.041 0.000 1.136 431 W HN 0.490 nan 8.180 nan 0.000 0.640 432 K N 0.250 120.744 120.400 0.156 0.000 2.432 432 K HA -0.043 4.278 4.320 0.001 0.000 0.196 432 K C 1.332 177.940 176.600 0.014 0.000 1.038 432 K CA 0.762 57.098 56.287 0.082 0.000 0.986 432 K CB -0.059 32.470 32.500 0.049 0.000 0.782 432 K HN 0.153 nan 8.250 nan 0.000 0.485 433 K N 0.497 120.868 120.400 -0.049 0.000 2.358 433 K HA 0.126 4.447 4.320 0.001 0.000 0.197 433 K C -0.240 176.282 176.600 -0.130 0.000 1.025 433 K CA -0.045 56.149 56.287 -0.156 0.000 1.104 433 K CB 1.023 33.305 32.500 -0.364 0.000 0.855 433 K HN -0.139 nan 8.250 nan 0.000 0.531 434 V N 2.454 122.364 119.914 -0.008 0.000 2.472 434 V HA 0.142 4.263 4.120 0.001 0.000 0.290 434 V C -0.114 176.032 176.094 0.087 0.000 1.037 434 V CA -1.109 61.226 62.300 0.058 0.000 0.908 434 V CB 1.403 33.309 31.823 0.139 0.000 0.985 434 V HN 0.215 nan 8.190 nan 0.000 0.454 435 N N 3.849 122.579 118.700 0.049 0.000 2.444 435 N HA 0.286 5.026 4.740 0.001 0.000 0.271 435 N C -0.337 175.208 175.510 0.057 0.000 1.069 435 N CA -0.331 52.730 53.050 0.019 0.000 0.965 435 N CB 1.431 39.880 38.487 -0.063 0.000 1.092 435 N HN 0.590 nan 8.380 nan 0.000 0.476 436 K N 0.864 121.296 120.400 0.053 0.000 2.154 436 K HA 0.396 4.717 4.320 0.001 0.000 0.264 436 K C 0.099 176.712 176.600 0.023 0.000 1.008 436 K CA -0.622 55.698 56.287 0.056 0.000 0.937 436 K CB 0.906 33.431 32.500 0.043 0.000 1.002 436 K HN 0.527 nan 8.250 nan 0.000 0.469 437 A N 3.176 126.011 122.820 0.024 0.000 2.511 437 A HA 0.181 4.502 4.320 0.001 0.000 0.242 437 A C -2.111 175.475 177.584 0.004 0.000 1.069 437 A CA -1.011 51.033 52.037 0.010 0.000 0.763 437 A CB -0.600 18.408 19.000 0.013 0.000 1.001 437 A HN 0.407 nan 8.150 nan 0.000 0.498 438 P HA 0.190 nan 4.420 nan 0.000 0.263 438 P C 0.821 178.123 177.300 0.004 0.000 1.195 438 P CA 0.617 63.718 63.100 0.001 0.000 0.762 438 P CB 0.972 32.672 31.700 -0.000 0.000 0.799 439 A N 3.486 126.308 122.820 0.004 0.000 1.978 439 A HA -0.189 4.132 4.320 0.001 0.000 0.220 439 A C 2.059 179.647 177.584 0.005 0.000 1.170 439 A CA 2.035 54.074 52.037 0.003 0.000 0.636 439 A CB -1.335 17.666 19.000 0.002 0.000 0.810 439 A HN 0.581 nan 8.150 nan 0.000 0.448 440 S N -1.817 113.887 115.700 0.006 0.000 2.500 440 S HA 0.258 4.728 4.470 0.001 0.000 0.239 440 S C 1.619 176.225 174.600 0.010 0.000 0.989 440 S CA 1.255 59.459 58.200 0.008 0.000 0.951 440 S CB -0.566 62.640 63.200 0.009 0.000 0.759 440 S HN 1.942 nan 8.310 nan 0.000 0.523 441 G N 0.961 109.767 108.800 0.010 0.000 2.199 441 G HA2 -0.221 3.740 3.960 0.001 0.000 0.254 441 G HA3 -0.221 3.740 3.960 0.001 0.000 0.254 441 G C -0.290 174.619 174.900 0.015 0.000 0.982 441 G CA 0.131 45.239 45.100 0.013 0.000 0.632 441 G HN 0.577 nan 8.290 nan 0.000 0.529 442 D N 1.178 121.587 120.400 0.014 0.000 2.360 442 D HA 0.368 5.008 4.640 0.001 0.000 0.242 442 D C 0.802 177.110 176.300 0.013 0.000 1.184 442 D CA -0.053 53.956 54.000 0.015 0.000 0.930 442 D CB 0.498 41.307 40.800 0.015 0.000 1.161 442 D HN 0.513 nan 8.370 nan 0.000 0.447 443 E N 0.199 120.408 120.200 0.015 0.000 2.392 443 E HA 0.046 4.397 4.350 0.001 0.000 0.264 443 E C 0.339 176.939 176.600 -0.001 0.000 1.024 443 E CA -0.155 56.252 56.400 0.011 0.000 0.903 443 E CB 0.868 30.578 29.700 0.017 0.000 0.963 443 E HN 0.329 nan 8.360 nan 0.000 0.432 444 M N 2.940 122.532 119.600 -0.013 0.000 2.252 444 M HA -0.006 4.475 4.480 0.001 0.000 0.329 444 M C -0.134 176.132 176.300 -0.058 0.000 1.101 444 M CA 0.398 55.671 55.300 -0.044 0.000 1.117 444 M CB 0.391 32.959 32.600 -0.054 0.000 1.563 444 M HN 0.479 nan 8.290 nan 0.000 0.445 445 M N 3.397 122.935 119.600 -0.103 0.000 2.249 445 M HA -0.003 4.478 4.480 0.001 0.000 0.340 445 M C 1.240 177.471 176.300 -0.115 0.000 1.166 445 M CA 0.449 55.699 55.300 -0.083 0.000 1.115 445 M CB 0.379 32.909 32.600 -0.117 0.000 1.606 445 M HN 0.765 nan 8.290 nan 0.000 0.448 446 R N 2.435 122.946 120.500 0.019 0.000 2.094 446 R HA -0.204 4.136 4.340 0.001 0.000 0.239 446 R C 1.921 178.247 176.300 0.043 0.000 1.137 446 R CA 2.573 58.698 56.100 0.042 0.000 0.943 446 R CB -0.390 29.967 30.300 0.095 0.000 0.850 446 R HN 0.773 nan 8.270 nan 0.000 0.433 447 F N 0.362 120.322 119.950 0.018 0.000 2.250 447 F HA -0.067 4.461 4.527 0.001 0.000 0.301 447 F C 1.522 177.332 175.800 0.016 0.000 1.077 447 F CA 1.013 59.022 58.000 0.015 0.000 1.348 447 F CB -0.215 38.791 39.000 0.010 0.000 1.040 447 F HN -0.099 nan 8.300 nan 0.000 0.509 448 K N 0.976 120.889 120.400 -0.812 0.000 2.103 448 K HA 0.056 4.377 4.320 0.001 0.000 0.204 448 K C 2.458 178.930 176.600 -0.213 0.000 1.052 448 K CA 1.020 56.959 56.287 -0.580 0.000 0.945 448 K CB -0.450 31.666 32.500 -0.640 0.000 0.722 448 K HN 0.400 nan 8.250 nan 0.000 0.443 449 A N 1.139 123.871 122.820 -0.146 0.000 1.930 449 A HA -0.083 4.238 4.320 0.001 0.000 0.217 449 A C 2.334 179.912 177.584 -0.011 0.000 1.175 449 A CA 1.071 53.077 52.037 -0.052 0.000 0.627 449 A CB -0.493 18.489 19.000 -0.029 0.000 0.815 449 A HN 0.047 nan 8.150 nan 0.000 0.443 450 V N 0.201 120.118 119.914 0.004 0.000 2.427 450 V HA -0.254 3.867 4.120 0.001 0.000 0.248 450 V C 2.384 178.503 176.094 0.042 0.000 1.051 450 V CA 2.228 64.552 62.300 0.039 0.000 1.048 450 V CB -0.760 31.104 31.823 0.069 0.000 0.666 450 V HN 0.637 nan 8.190 nan 0.000 0.456 451 E N 0.150 120.368 120.200 0.030 0.000 2.051 451 E HA -0.212 4.139 4.350 0.001 0.000 0.192 451 E C 2.121 178.746 176.600 0.041 0.000 0.991 451 E CA 1.378 57.796 56.400 0.029 0.000 0.799 451 E CB -0.231 29.476 29.700 0.012 0.000 0.748 451 E HN 0.543 nan 8.360 nan 0.000 0.449 452 N N 0.494 119.212 118.700 0.030 0.000 2.104 452 N HA -0.137 4.603 4.740 0.001 0.000 0.190 452 N C 1.784 177.339 175.510 0.074 0.000 1.024 452 N CA 1.032 54.120 53.050 0.064 0.000 0.853 452 N CB -0.546 37.965 38.487 0.039 0.000 1.008 452 N HN 0.198 nan 8.380 nan 0.000 0.424 453 C N 0.715 120.047 119.300 0.054 0.000 2.450 453 C HA 0.087 4.548 4.460 0.001 0.000 0.279 453 C C 2.313 177.341 174.990 0.063 0.000 1.335 453 C CA -0.027 59.023 59.018 0.054 0.000 1.749 453 C CB -1.064 26.704 27.740 0.047 0.000 1.963 453 C HN 0.450 nan 8.230 nan 0.000 0.501 454 N N 0.344 119.085 118.700 0.069 0.000 2.166 454 N HA -0.133 4.608 4.740 0.001 0.000 0.186 454 N C 1.499 177.064 175.510 0.092 0.000 1.019 454 N CA 1.191 54.282 53.050 0.067 0.000 0.856 454 N CB -0.578 37.943 38.487 0.057 0.000 0.993 454 N HN 0.604 nan 8.380 nan 0.000 0.426 455 Y N 1.647 121.904 120.300 -0.073 0.000 2.200 455 Y HA 0.010 4.561 4.550 0.001 0.000 0.290 455 Y C 2.241 178.037 175.900 -0.173 0.000 1.137 455 Y CA 1.019 59.039 58.100 -0.132 0.000 1.163 455 Y CB -0.818 37.549 38.460 -0.155 0.000 0.988 455 Y HN 0.048 nan 8.280 nan 0.000 0.518 456 A N -0.642 122.098 122.820 -0.135 0.000 1.908 456 A HA -0.153 4.168 4.320 0.001 0.000 0.218 456 A C 2.449 179.985 177.584 -0.079 0.000 1.181 456 A CA 2.109 54.052 52.037 -0.157 0.000 0.627 456 A CB -1.296 17.749 19.000 0.075 0.000 0.818 456 A HN 0.298 nan 8.150 nan 0.000 0.445 457 V N 0.462 120.378 119.914 0.003 0.000 2.358 457 V HA -0.223 3.898 4.120 0.001 0.000 0.246 457 V C 2.158 178.223 176.094 -0.049 0.000 1.047 457 V CA 2.290 64.614 62.300 0.039 0.000 1.035 457 V CB -0.750 31.110 31.823 0.062 0.000 0.658 457 V HN 0.490 nan 8.190 nan 0.000 0.452 458 D N 0.010 120.359 120.400 -0.085 0.000 2.144 458 D HA -0.099 4.542 4.640 0.001 0.000 0.200 458 D C 2.113 178.260 176.300 -0.256 0.000 0.978 458 D CA 1.067 55.001 54.000 -0.110 0.000 0.833 458 D CB -0.214 40.568 40.800 -0.031 0.000 0.961 458 D HN 0.327 nan 8.370 nan 0.000 0.470 459 L N 0.316 121.259 121.223 -0.467 0.000 2.191 459 L HA -0.070 4.271 4.340 0.001 0.000 0.212 459 L C 2.413 178.832 176.870 -0.751 0.000 1.103 459 L CA 1.165 55.563 54.840 -0.737 0.000 0.769 459 L CB -0.410 40.854 42.059 -1.325 0.000 0.908 459 L HN 0.087 nan 8.230 nan 0.000 0.438 460 G N -0.287 108.161 108.800 -0.587 0.000 2.396 460 G HA2 -0.173 3.788 3.960 0.001 0.000 0.214 460 G HA3 -0.173 3.788 3.960 0.001 0.000 0.214 460 G C 1.675 176.220 174.900 -0.591 0.000 1.166 460 G CA 0.191 44.811 45.100 -0.800 0.000 0.793 460 G HN 0.259 nan 8.290 nan 0.000 0.533 461 K N 0.516 120.775 120.400 -0.236 0.000 2.057 461 K HA -0.065 4.256 4.320 0.001 0.000 0.207 461 K C 2.320 178.828 176.600 -0.154 0.000 1.049 461 K CA 1.109 57.330 56.287 -0.111 0.000 0.931 461 K CB -0.137 32.331 32.500 -0.052 0.000 0.714 461 K HN 0.110 nan 8.250 nan 0.000 0.440 462 N N 1.409 119.982 118.700 -0.212 0.000 2.149 462 N HA -0.165 4.575 4.740 0.001 0.000 0.188 462 N C 1.393 176.792 175.510 -0.186 0.000 1.019 462 N CA 1.220 54.163 53.050 -0.178 0.000 0.857 462 N CB -0.078 38.292 38.487 -0.195 0.000 0.997 462 N HN 0.329 nan 8.380 nan 0.000 0.426 463 Q N -0.618 118.997 119.800 -0.307 0.000 2.444 463 Q HA 0.157 4.498 4.340 0.001 0.000 0.206 463 Q C 0.614 176.565 176.000 -0.082 0.000 0.948 463 Q CA 0.344 55.998 55.803 -0.247 0.000 0.946 463 Q CB 0.322 28.812 28.738 -0.414 0.000 1.027 463 Q HN 0.479 nan 8.270 nan 0.000 0.513 464 G N 0.119 108.890 108.800 -0.049 0.000 2.175 464 G HA2 -0.231 3.729 3.960 0.001 0.000 0.244 464 G HA3 -0.231 3.729 3.960 0.001 0.000 0.244 464 G C -0.046 174.989 174.900 0.225 0.000 0.982 464 G CA -0.471 44.673 45.100 0.075 0.000 0.641 464 G HN 0.210 nan 8.290 nan 0.000 0.527 465 F N 1.541 121.487 119.950 -0.007 0.000 2.586 465 F HA 0.510 5.038 4.527 0.001 0.000 0.344 465 F C 1.286 177.088 175.800 0.004 0.000 1.188 465 F CA -0.306 57.688 58.000 -0.009 0.000 1.359 465 F CB 0.951 39.961 39.000 0.016 0.000 1.129 465 F HN 0.071 nan 8.300 nan 0.000 0.609 466 S N 3.114 118.928 115.700 0.191 0.000 2.434 466 S HA 0.539 5.010 4.470 0.001 0.000 0.318 466 S C 0.031 174.715 174.600 0.139 0.000 1.062 466 S CA -0.547 57.729 58.200 0.128 0.000 1.116 466 S CB -0.547 62.706 63.200 0.088 0.000 0.977 466 S HN 0.572 nan 8.310 nan 0.000 0.480 467 L N 5.073 126.380 121.223 0.140 0.000 3.333 467 L HA 0.222 4.563 4.340 0.001 0.000 0.299 467 L C 1.486 178.415 176.870 0.098 0.000 1.256 467 L CA -0.173 54.747 54.840 0.134 0.000 1.037 467 L CB 0.384 42.543 42.059 0.166 0.000 1.423 467 L HN 0.447 nan 8.230 nan 0.000 0.605 468 V N 0.701 120.664 119.914 0.082 0.000 2.313 468 V HA -0.301 3.820 4.120 0.001 0.000 0.253 468 V C 2.144 178.274 176.094 0.061 0.000 1.070 468 V CA 2.404 64.742 62.300 0.063 0.000 1.057 468 V CB -0.915 30.941 31.823 0.055 0.000 0.653 468 V HN 0.657 nan 8.190 nan 0.000 0.450 469 G N -1.241 107.600 108.800 0.068 0.000 3.284 469 G HA2 0.389 4.350 3.960 0.001 0.000 0.236 469 G HA3 0.389 4.350 3.960 0.001 0.000 0.236 469 G C 0.314 175.256 174.900 0.070 0.000 1.158 469 G CA -0.226 44.911 45.100 0.063 0.000 0.774 469 G HN 0.456 nan 8.290 nan 0.000 0.545 470 I N 0.188 120.805 120.570 0.079 0.000 2.493 470 I HA 0.403 4.574 4.170 0.001 0.000 0.298 470 I C -0.345 175.817 176.117 0.075 0.000 0.998 470 I CA -0.685 60.666 61.300 0.085 0.000 1.137 470 I CB 2.069 40.133 38.000 0.107 0.000 1.310 470 I HN 0.003 nan 8.210 nan 0.000 0.445 471 Q N 2.320 122.163 119.800 0.071 0.000 2.451 471 Q HA 0.351 4.692 4.340 0.001 0.000 0.281 471 Q C 0.905 176.944 176.000 0.064 0.000 1.099 471 Q CA -0.686 55.155 55.803 0.062 0.000 0.806 471 Q CB 2.231 31.001 28.738 0.053 0.000 1.419 471 Q HN 0.842 nan 8.270 nan 0.000 0.427 472 G N 0.918 109.754 108.800 0.059 0.000 2.529 472 G HA2 -0.358 3.603 3.960 0.001 0.000 0.219 472 G HA3 -0.358 3.603 3.960 0.001 0.000 0.219 472 G C 1.248 176.181 174.900 0.056 0.000 1.177 472 G CA 1.364 46.499 45.100 0.059 0.000 0.773 472 G HN 0.704 nan 8.290 nan 0.000 0.573 473 A N 0.830 123.683 122.820 0.055 0.000 1.978 473 A HA -0.111 4.210 4.320 0.001 0.000 0.220 473 A C 2.080 179.697 177.584 0.055 0.000 1.170 473 A CA 2.157 54.226 52.037 0.053 0.000 0.636 473 A CB -0.447 18.583 19.000 0.052 0.000 0.810 473 A HN 0.364 nan 8.150 nan 0.000 0.448 474 D N 0.043 120.479 120.400 0.060 0.000 2.149 474 D HA -0.140 4.501 4.640 0.001 0.000 0.198 474 D C 1.833 178.177 176.300 0.072 0.000 0.990 474 D CA 1.213 55.253 54.000 0.067 0.000 0.839 474 D CB -0.195 40.650 40.800 0.075 0.000 0.948 474 D HN 0.390 nan 8.370 nan 0.000 0.460 475 I N 1.101 121.712 120.570 0.067 0.000 2.286 475 I HA -0.136 4.035 4.170 0.001 0.000 0.245 475 I C 2.337 178.480 176.117 0.044 0.000 1.104 475 I CA 0.939 62.273 61.300 0.057 0.000 1.397 475 I CB -1.523 36.506 38.000 0.048 0.000 1.072 475 I HN -0.070 nan 8.210 nan 0.000 0.417 476 T N 0.938 115.518 114.554 0.043 0.000 2.788 476 T HA -0.137 4.214 4.350 0.001 0.000 0.268 476 T C 1.215 175.941 174.700 0.043 0.000 1.044 476 T CA 1.330 63.452 62.100 0.037 0.000 1.139 476 T CB -0.203 68.688 68.868 0.038 0.000 0.867 476 T HN 0.258 nan 8.240 nan 0.000 0.454 477 D N 0.394 120.824 120.400 0.051 0.000 2.340 477 D HA 0.226 4.867 4.640 0.001 0.000 0.220 477 D C 1.472 177.810 176.300 0.063 0.000 1.039 477 D CA 0.426 54.458 54.000 0.053 0.000 0.866 477 D CB -0.272 40.557 40.800 0.049 0.000 0.913 477 D HN 0.478 nan 8.370 nan 0.000 0.523 478 G N 1.389 110.235 108.800 0.077 0.000 2.176 478 G HA2 -0.289 3.672 3.960 0.001 0.000 0.252 478 G HA3 -0.289 3.672 3.960 0.001 0.000 0.252 478 G C 0.424 175.408 174.900 0.140 0.000 1.024 478 G CA 0.473 45.643 45.100 0.116 0.000 0.755 478 G HN 0.391 nan 8.290 nan 0.000 0.507 479 S N -0.629 115.143 115.700 0.120 0.000 2.596 479 S HA 0.221 4.692 4.470 0.001 0.000 0.298 479 S C 1.986 176.703 174.600 0.195 0.000 1.255 479 S CA 0.662 58.932 58.200 0.117 0.000 1.083 479 S CB 0.403 63.667 63.200 0.107 0.000 0.837 479 S HN 0.531 nan 8.310 nan 0.000 0.499 480 R N 2.893 123.469 120.500 0.126 0.000 2.061 480 R HA -0.066 4.275 4.340 0.001 0.000 0.230 480 R C 2.340 178.827 176.300 0.312 0.000 1.140 480 R CA 2.091 58.301 56.100 0.184 0.000 0.940 480 R CB -0.912 29.260 30.300 -0.214 0.000 0.839 480 R HN 0.674 nan 8.270 nan 0.000 0.429 481 T N 1.558 116.211 114.554 0.166 0.000 2.746 481 T HA -0.063 4.287 4.350 0.001 0.000 0.267 481 T C 1.792 176.609 174.700 0.195 0.000 1.039 481 T CA 1.058 63.255 62.100 0.161 0.000 1.142 481 T CB -0.064 68.859 68.868 0.092 0.000 0.866 481 T HN 0.130 nan 8.240 nan 0.000 0.444 482 L N 0.420 121.750 121.223 0.179 0.000 2.240 482 L HA 0.003 4.344 4.340 0.001 0.000 0.211 482 L C 2.771 179.766 176.870 0.208 0.000 1.106 482 L CA 0.869 55.812 54.840 0.172 0.000 0.793 482 L CB -0.819 41.317 42.059 0.130 0.000 0.927 482 L HN 0.246 nan 8.230 nan 0.000 0.446 483 T N 0.403 115.110 114.554 0.255 0.000 2.812 483 T HA -0.062 4.289 4.350 0.001 0.000 0.264 483 T C 2.015 176.951 174.700 0.393 0.000 1.042 483 T CA 1.014 63.261 62.100 0.246 0.000 1.140 483 T CB -0.099 68.893 68.868 0.206 0.000 0.870 483 T HN 0.163 nan 8.240 nan 0.000 0.445 484 L N 0.762 122.302 121.223 0.528 0.000 2.093 484 L HA -0.039 4.302 4.340 0.001 0.000 0.208 484 L C 3.005 180.163 176.870 0.480 0.000 1.085 484 L CA 1.084 56.290 54.840 0.610 0.000 0.755 484 L CB -0.596 41.735 42.059 0.453 0.000 0.904 484 L HN 0.234 nan 8.230 nan 0.000 0.435 485 A N -0.030 122.991 122.820 0.336 0.000 1.902 485 A HA -0.219 4.101 4.320 0.001 0.000 0.217 485 A C 2.188 179.909 177.584 0.228 0.000 1.181 485 A CA 1.698 53.907 52.037 0.287 0.000 0.623 485 A CB -0.634 18.494 19.000 0.213 0.000 0.818 485 A HN 0.329 nan 8.150 nan 0.000 0.443 486 L N -0.077 121.260 121.223 0.190 0.000 2.027 486 L HA -0.071 4.269 4.340 0.001 0.000 0.206 486 L C 2.328 179.217 176.870 0.031 0.000 1.074 486 L CA 1.946 56.864 54.840 0.130 0.000 0.745 486 L CB -0.614 41.537 42.059 0.154 0.000 0.898 486 L HN 0.129 nan 8.230 nan 0.000 0.433 487 V N -0.592 119.364 119.914 0.069 0.000 2.343 487 V HA -0.315 3.806 4.120 0.001 0.000 0.247 487 V C 2.237 178.096 176.094 -0.390 0.000 1.051 487 V CA 2.112 64.364 62.300 -0.080 0.000 1.036 487 V CB -1.076 30.795 31.823 0.080 0.000 0.654 487 V HN 0.761 nan 8.190 nan 0.000 0.451 488 W N 0.710 121.705 121.300 -0.508 0.000 2.335 488 W HA -0.237 4.424 4.660 0.002 0.000 0.311 488 W C 2.377 178.619 176.519 -0.462 0.000 1.213 488 W CA 1.725 58.751 57.345 -0.533 0.000 1.274 488 W CB -0.171 29.223 29.460 -0.110 0.000 1.148 488 W HN 0.265 nan 8.180 nan 0.000 0.498 489 Q N 0.293 119.742 119.800 -0.586 0.000 2.135 489 Q HA -0.280 4.061 4.340 0.001 0.000 0.204 489 Q C 2.244 177.448 176.000 -1.327 0.000 0.981 489 Q CA 2.088 57.345 55.803 -0.911 0.000 0.856 489 Q CB -0.879 27.472 28.738 -0.646 0.000 0.902 489 Q HN 0.505 nan 8.270 nan 0.000 0.425 490 M N -0.299 118.664 119.600 -1.061 0.000 2.099 490 M HA -0.169 4.311 4.480 0.001 0.000 0.262 490 M C 2.250 178.190 176.300 -0.600 0.000 1.067 490 M CA 1.342 56.193 55.300 -0.747 0.000 1.124 490 M CB -0.078 32.406 32.600 -0.195 0.000 1.353 490 M HN 0.249 nan 8.290 nan 0.000 0.410 491 M N -0.460 118.599 119.600 -0.903 0.000 2.117 491 M HA -0.245 4.236 4.480 0.001 0.000 0.262 491 M C 2.051 177.797 176.300 -0.923 0.000 1.065 491 M CA 1.818 56.390 55.300 -1.214 0.000 1.114 491 M CB -0.273 31.489 32.600 -1.396 0.000 1.361 491 M HN 0.149 nan 8.290 nan 0.000 0.408 492 R N 0.438 120.218 120.500 -1.201 0.000 2.081 492 R HA -0.153 4.188 4.340 0.001 0.000 0.235 492 R C 1.982 177.943 176.300 -0.566 0.000 1.131 492 R CA 2.188 57.662 56.100 -1.043 0.000 0.960 492 R CB -0.757 28.722 30.300 -1.368 0.000 0.856 492 R HN 0.482 nan 8.270 nan 0.000 0.436 493 M N 0.741 120.025 119.600 -0.526 0.000 2.175 493 M HA -0.086 4.395 4.480 0.001 0.000 0.264 493 M C 1.754 177.978 176.300 -0.127 0.000 1.063 493 M CA 1.743 56.901 55.300 -0.237 0.000 1.119 493 M CB -0.703 31.856 32.600 -0.068 0.000 1.377 493 M HN 0.379 nan 8.290 nan 0.000 0.415 494 N N -0.047 118.566 118.700 -0.146 0.000 2.120 494 N HA -0.171 4.570 4.740 0.001 0.000 0.188 494 N C 1.769 177.243 175.510 -0.059 0.000 1.024 494 N CA 1.655 54.687 53.050 -0.030 0.000 0.852 494 N CB -0.109 38.410 38.487 0.054 0.000 1.003 494 N HN 0.455 nan 8.380 nan 0.000 0.424 495 I N 0.619 121.100 120.570 -0.149 0.000 2.226 495 I HA -0.243 3.928 4.170 0.001 0.000 0.245 495 I C 2.166 178.229 176.117 -0.090 0.000 1.100 495 I CA 1.128 62.352 61.300 -0.126 0.000 1.374 495 I CB -0.506 37.393 38.000 -0.167 0.000 1.057 495 I HN 0.186 nan 8.210 nan 0.000 0.413 496 T N 0.756 115.254 114.554 -0.094 0.000 2.708 496 T HA -0.152 4.199 4.350 0.001 0.000 0.266 496 T C 1.952 176.645 174.700 -0.011 0.000 1.037 496 T CA 1.141 63.207 62.100 -0.056 0.000 1.146 496 T CB -0.076 68.752 68.868 -0.067 0.000 0.865 496 T HN 0.165 nan 8.240 nan 0.000 0.435 497 K N 1.168 121.566 120.400 -0.004 0.000 2.057 497 K HA -0.034 4.286 4.320 0.001 0.000 0.206 497 K C 2.765 179.407 176.600 0.069 0.000 1.050 497 K CA 1.653 57.965 56.287 0.042 0.000 0.935 497 K CB -1.202 31.324 32.500 0.043 0.000 0.715 497 K HN 0.618 nan 8.250 nan 0.000 0.439 498 T N -0.307 114.267 114.554 0.033 0.000 2.867 498 T HA -0.028 4.322 4.350 0.001 0.000 0.268 498 T C 1.966 176.667 174.700 0.001 0.000 1.057 498 T CA 0.717 62.831 62.100 0.022 0.000 1.136 498 T CB -0.300 68.575 68.868 0.011 0.000 0.874 498 T HN 0.067 nan 8.240 nan 0.000 0.466 499 L N -0.093 121.123 121.223 -0.013 0.000 2.599 499 L HA 0.187 4.527 4.340 0.001 0.000 0.230 499 L C 2.420 179.296 176.870 0.011 0.000 1.141 499 L CA 0.720 55.534 54.840 -0.043 0.000 0.877 499 L CB -0.431 41.573 42.059 -0.092 0.000 1.009 499 L HN 0.374 nan 8.230 nan 0.000 0.447 500 H N -1.033 118.010 119.070 -0.045 0.000 2.553 500 H HA 0.175 4.732 4.556 0.001 0.000 0.276 500 H C 1.449 176.764 175.328 -0.021 0.000 0.979 500 H CA 0.103 56.134 56.048 -0.029 0.000 1.268 500 H CB 0.501 30.253 29.762 -0.018 0.000 1.450 500 H HN 0.088 nan 8.280 nan 0.000 0.527 509 L N 3.917 125.139 121.223 -0.002 0.000 2.268 509 L HA 0.694 5.035 4.340 0.001 0.000 0.289 509 L C 0.634 177.516 176.870 0.020 0.000 1.064 509 L CA 0.003 54.851 54.840 0.013 0.000 0.824 509 L CB 0.480 42.539 42.059 0.000 0.000 1.202 509 L HN 0.413 nan 8.230 nan 0.000 0.433 510 S N 1.789 117.509 115.700 0.034 0.000 2.669 510 S HA 0.301 4.772 4.470 0.001 0.000 0.270 510 S C 0.693 175.335 174.600 0.070 0.000 1.225 510 S CA -0.438 57.788 58.200 0.044 0.000 0.991 510 S CB 1.000 64.222 63.200 0.036 0.000 0.987 510 S HN 0.651 nan 8.310 nan 0.000 0.552 511 D N 1.128 121.579 120.400 0.084 0.000 2.144 511 D HA -0.072 4.568 4.640 0.001 0.000 0.200 511 D C 2.307 178.610 176.300 0.006 0.000 0.978 511 D CA 1.902 55.971 54.000 0.116 0.000 0.833 511 D CB -0.507 40.372 40.800 0.132 0.000 0.961 511 D HN 0.681 nan 8.370 nan 0.000 0.470 512 S N 0.393 116.087 115.700 -0.010 0.000 2.368 512 S HA -0.174 4.296 4.470 0.001 0.000 0.225 512 S C 1.571 176.170 174.600 -0.001 0.000 1.030 512 S CA 1.106 59.281 58.200 -0.043 0.000 0.999 512 S CB -0.295 62.894 63.200 -0.018 0.000 0.844 512 S HN 0.076 nan 8.310 nan 0.000 0.459 513 D N 1.665 122.091 120.400 0.043 0.000 2.149 513 D HA -0.048 4.593 4.640 0.001 0.000 0.198 513 D C 2.009 178.397 176.300 0.147 0.000 0.990 513 D CA 1.360 55.411 54.000 0.084 0.000 0.839 513 D CB -0.346 40.498 40.800 0.074 0.000 0.948 513 D HN 0.483 nan 8.370 nan 0.000 0.460 514 M N 0.134 119.828 119.600 0.157 0.000 2.132 514 M HA -0.116 4.364 4.480 0.001 0.000 0.263 514 M C 2.399 178.912 176.300 0.355 0.000 1.065 514 M CA 0.783 56.264 55.300 0.302 0.000 1.122 514 M CB -0.110 32.747 32.600 0.427 0.000 1.365 514 M HN -0.128 nan 8.290 nan 0.000 0.411 515 V N 0.544 120.439 119.914 -0.032 0.000 2.343 515 V HA -0.261 3.860 4.120 0.001 0.000 0.247 515 V C 2.643 178.790 176.094 0.089 0.000 1.051 515 V CA 2.029 64.207 62.300 -0.203 0.000 1.036 515 V CB -1.266 30.272 31.823 -0.476 0.000 0.654 515 V HN 0.521 nan 8.190 nan 0.000 0.451 516 A N -1.057 121.821 122.820 0.097 0.000 1.933 516 A HA -0.269 4.052 4.320 0.001 0.000 0.218 516 A C 1.955 179.654 177.584 0.192 0.000 1.175 516 A CA 1.846 53.954 52.037 0.119 0.000 0.628 516 A CB -0.841 18.216 19.000 0.095 0.000 0.814 516 A HN 0.744 nan 8.150 nan 0.000 0.444 517 W N 0.636 121.989 121.300 0.088 0.000 2.379 517 W HA -0.071 4.590 4.660 0.001 0.000 0.307 517 W C 2.408 179.002 176.519 0.124 0.000 1.200 517 W CA 2.107 59.507 57.345 0.092 0.000 1.297 517 W CB -0.190 29.325 29.460 0.091 0.000 1.140 517 W HN 0.331 nan 8.180 nan 0.000 0.507 518 A N 0.665 123.751 122.820 0.444 0.000 1.902 518 A HA -0.247 4.074 4.320 0.001 0.000 0.217 518 A C 1.899 179.578 177.584 0.159 0.000 1.181 518 A CA 1.982 54.202 52.037 0.305 0.000 0.623 518 A CB -1.032 18.406 19.000 0.729 0.000 0.818 518 A HN 0.435 nan 8.150 nan 0.000 0.443 519 N N 0.228 119.088 118.700 0.266 0.000 2.142 519 N HA -0.088 4.653 4.740 0.001 0.000 0.186 519 N C 1.987 177.522 175.510 0.043 0.000 1.023 519 N CA 1.524 54.715 53.050 0.234 0.000 0.852 519 N CB -0.390 38.197 38.487 0.166 0.000 0.998 519 N HN 0.442 nan 8.380 nan 0.000 0.424 520 S N 0.906 116.574 115.700 -0.054 0.000 2.370 520 S HA -0.123 4.348 4.470 0.001 0.000 0.226 520 S C 1.924 176.401 174.600 -0.205 0.000 1.033 520 S CA 1.011 59.139 58.200 -0.121 0.000 1.011 520 S CB -0.136 62.973 63.200 -0.152 0.000 0.852 520 S HN 0.196 nan 8.310 nan 0.000 0.457 521 M N 1.823 121.192 119.600 -0.385 0.000 2.086 521 M HA 0.076 4.557 4.480 0.001 0.000 0.261 521 M C 2.134 178.304 176.300 -0.218 0.000 1.067 521 M CA 1.332 56.381 55.300 -0.419 0.000 1.116 521 M CB -0.961 31.188 32.600 -0.751 0.000 1.348 521 M HN 0.299 nan 8.290 nan 0.000 0.407 522 A N -0.814 121.894 122.820 -0.187 0.000 2.015 522 A HA 0.113 4.434 4.320 0.001 0.000 0.219 522 A C 2.144 179.732 177.584 0.006 0.000 1.163 522 A CA 1.587 53.562 52.037 -0.102 0.000 0.646 522 A CB -1.122 17.795 19.000 -0.138 0.000 0.806 522 A HN 0.530 nan 8.150 nan 0.000 0.448 523 A N -0.366 122.457 122.820 0.004 0.000 2.239 523 A HA 0.054 4.375 4.320 0.001 0.000 0.209 523 A C 1.149 178.742 177.584 0.015 0.000 1.171 523 A CA 0.413 52.460 52.037 0.017 0.000 0.768 523 A CB -0.328 18.679 19.000 0.011 0.000 0.790 523 A HN 0.455 nan 8.150 nan 0.000 0.478 524 K N 0.204 120.618 120.400 0.024 0.000 3.006 524 K HA 0.346 4.667 4.320 0.001 0.000 0.262 524 K C 0.648 177.347 176.600 0.165 0.000 1.289 524 K CA 0.323 56.640 56.287 0.050 0.000 1.245 524 K CB -0.441 32.056 32.500 -0.005 0.000 1.614 524 K HN 0.500 nan 8.250 nan 0.000 0.322 525 G N 0.554 109.414 108.800 0.100 0.000 2.131 525 G HA2 -0.214 3.746 3.960 0.001 0.000 0.223 525 G HA3 -0.214 3.746 3.960 0.001 0.000 0.223 525 G C 0.418 175.252 174.900 -0.111 0.000 0.990 525 G CA -0.420 44.719 45.100 0.064 0.000 0.671 525 G HN 0.616 nan 8.290 nan 0.000 0.521 526 G N -0.761 108.011 108.800 -0.046 0.000 2.636 526 G HA2 0.487 4.448 3.960 0.001 0.000 0.246 526 G HA3 0.487 4.448 3.960 0.001 0.000 0.246 526 G C 0.783 175.537 174.900 -0.244 0.000 1.216 526 G CA 0.087 45.128 45.100 -0.099 0.000 0.854 526 G HN 0.156 nan 8.290 nan 0.000 0.572 527 K N 0.666 120.891 120.400 -0.291 0.000 2.367 527 K HA 0.134 4.455 4.320 0.001 0.000 0.195 527 K C 1.589 178.140 176.600 -0.081 0.000 1.060 527 K CA 0.457 56.571 56.287 -0.288 0.000 1.022 527 K CB 0.790 33.009 32.500 -0.468 0.000 0.894 527 K HN 0.493 nan 8.250 nan 0.000 0.540 528 G N 0.461 109.272 108.800 0.018 0.000 2.582 528 G HA2 0.264 4.225 3.960 0.001 0.000 0.232 528 G HA3 0.264 4.225 3.960 0.001 0.000 0.232 528 G C -0.404 174.550 174.900 0.091 0.000 1.458 528 G CA -0.244 44.905 45.100 0.082 0.000 1.062 528 G HN 0.045 nan 8.290 nan 0.000 0.566 529 S N -0.622 115.155 115.700 0.128 0.000 2.621 529 S HA 0.442 4.913 4.470 0.001 0.000 0.302 529 S C -0.336 174.346 174.600 0.137 0.000 1.093 529 S CA -0.566 57.689 58.200 0.092 0.000 1.017 529 S CB 1.760 64.979 63.200 0.031 0.000 1.077 529 S HN 0.467 nan 8.310 nan 0.000 0.517 530 Q N 1.475 121.322 119.800 0.079 0.000 2.417 530 Q HA 0.345 4.685 4.340 0.001 0.000 0.241 530 Q C 0.030 175.950 176.000 -0.132 0.000 1.008 530 Q CA 0.029 55.868 55.803 0.060 0.000 0.901 530 Q CB 0.616 29.381 28.738 0.045 0.000 1.259 530 Q HN 0.706 nan 8.270 nan 0.000 0.489 531 I N -2.405 117.981 120.570 -0.306 0.000 2.707 531 I HA 0.424 4.594 4.170 0.001 0.000 0.309 531 I C 1.089 177.078 176.117 -0.213 0.000 1.001 531 I CA -0.865 60.209 61.300 -0.376 0.000 1.129 531 I CB 1.864 39.442 38.000 -0.704 0.000 1.308 531 I HN 0.519 nan 8.210 nan 0.000 0.466 532 R N 2.425 122.823 120.500 -0.170 0.000 2.080 532 R HA 0.119 4.460 4.340 0.001 0.000 0.222 532 R C 0.339 176.549 176.300 -0.151 0.000 1.107 532 R CA 1.294 57.320 56.100 -0.123 0.000 0.980 532 R CB 0.205 30.453 30.300 -0.087 0.000 0.879 532 R HN 0.980 nan 8.270 nan 0.000 0.439 533 S N -2.825 112.771 115.700 -0.173 0.000 2.636 533 S HA 0.180 4.650 4.470 0.001 0.000 0.266 533 S C 0.027 174.553 174.600 -0.123 0.000 1.147 533 S CA -0.902 57.165 58.200 -0.222 0.000 0.815 533 S CB -0.106 63.018 63.200 -0.126 0.000 1.119 533 S HN 0.120 nan 8.310 nan 0.000 0.470 534 F N 0.819 120.774 119.950 0.008 0.000 2.805 534 F HA 0.205 4.733 4.527 0.001 0.000 0.301 534 F C 2.135 177.930 175.800 -0.008 0.000 1.196 534 F CA -0.086 57.927 58.000 0.023 0.000 1.439 534 F CB -0.095 38.951 39.000 0.077 0.000 1.117 534 F HN 0.315 nan 8.300 nan 0.000 0.581 535 R N -0.759 119.809 120.500 0.114 0.000 2.437 535 R HA 0.019 4.360 4.340 0.001 0.000 0.257 535 R C 0.052 176.358 176.300 0.010 0.000 0.927 535 R CA -0.216 55.913 56.100 0.050 0.000 1.078 535 R CB 0.145 30.460 30.300 0.025 0.000 1.161 535 R HN -0.009 nan 8.270 nan 0.000 0.529 536 D N 1.905 122.300 120.400 -0.008 0.000 2.401 536 D HA 0.011 4.652 4.640 0.001 0.000 0.254 536 D C -1.646 174.634 176.300 -0.033 0.000 1.192 536 D CA -1.799 52.175 54.000 -0.043 0.000 0.885 536 D CB 1.522 42.263 40.800 -0.099 0.000 1.147 536 D HN -0.101 nan 8.370 nan 0.000 0.478 537 P HA -0.195 nan 4.420 nan 0.000 0.216 537 P C 1.476 178.765 177.300 -0.018 0.000 1.150 537 P CA 1.469 64.557 63.100 -0.020 0.000 0.843 537 P CB 0.076 31.764 31.700 -0.019 0.000 0.787 538 S N -0.646 115.036 115.700 -0.030 0.000 2.402 538 S HA -0.200 4.271 4.470 0.001 0.000 0.233 538 S C 1.903 176.505 174.600 0.002 0.000 1.030 538 S CA 1.186 59.375 58.200 -0.020 0.000 1.003 538 S CB -1.775 61.401 63.200 -0.039 0.000 0.813 538 S HN 0.111 nan 8.310 nan 0.000 0.477 539 I N 3.054 123.618 120.570 -0.010 0.000 2.502 539 I HA -0.214 3.957 4.170 0.001 0.000 0.258 539 I C 2.809 178.956 176.117 0.050 0.000 1.172 539 I CA 1.258 62.586 61.300 0.046 0.000 1.430 539 I CB -0.693 37.338 38.000 0.051 0.000 1.086 539 I HN 0.568 nan 8.210 nan 0.000 0.440 540 S N 0.129 115.841 115.700 0.019 0.000 2.419 540 S HA -0.229 4.241 4.470 0.001 0.000 0.235 540 S C 2.081 176.689 174.600 0.013 0.000 1.019 540 S CA 1.654 59.858 58.200 0.007 0.000 0.982 540 S CB -1.187 62.012 63.200 -0.003 0.000 0.789 540 S HN 0.627 nan 8.310 nan 0.000 0.490 541 T N -2.130 112.442 114.554 0.029 0.000 3.007 541 T HA 0.300 4.651 4.350 0.001 0.000 0.270 541 T C 1.835 176.559 174.700 0.039 0.000 1.107 541 T CA 1.168 63.288 62.100 0.033 0.000 1.118 541 T CB -1.027 67.867 68.868 0.043 0.000 0.889 541 T HN 1.341 nan 8.240 nan 0.000 0.506 542 G N 0.072 108.903 108.800 0.052 0.000 2.184 542 G HA2 -0.310 3.651 3.960 0.001 0.000 0.264 542 G HA3 -0.310 3.651 3.960 0.001 0.000 0.264 542 G C 0.910 175.857 174.900 0.080 0.000 0.975 542 G CA 0.368 45.493 45.100 0.042 0.000 0.642 542 G HN 0.589 nan 8.290 nan 0.000 0.536 543 V N 0.158 120.142 119.914 0.116 0.000 2.379 543 V HA 0.024 4.144 4.120 0.001 0.000 0.245 543 V C 2.209 178.412 176.094 0.181 0.000 1.044 543 V CA 2.222 64.606 62.300 0.140 0.000 1.036 543 V CB -0.752 31.150 31.823 0.132 0.000 0.664 543 V HN 0.447 nan 8.190 nan 0.000 0.453 544 F N 1.995 121.993 119.950 0.080 0.000 2.091 544 F HA -0.253 4.275 4.527 0.001 0.000 0.299 544 F C 2.342 178.223 175.800 0.136 0.000 1.103 544 F CA 2.324 60.385 58.000 0.101 0.000 1.228 544 F CB -0.536 38.525 39.000 0.101 0.000 0.984 544 F HN 0.101 nan 8.300 nan 0.000 0.477 545 V N -0.949 119.009 119.914 0.073 0.000 2.490 545 V HA -0.243 3.878 4.120 0.001 0.000 0.250 545 V C 2.284 178.401 176.094 0.038 0.000 1.061 545 V CA 1.988 64.319 62.300 0.051 0.000 1.064 545 V CB -1.277 30.613 31.823 0.113 0.000 0.670 545 V HN 0.465 nan 8.190 nan 0.000 0.461 546 L N 0.091 121.338 121.223 0.040 0.000 2.093 546 L HA -0.076 4.265 4.340 0.001 0.000 0.208 546 L C 2.554 179.448 176.870 0.041 0.000 1.085 546 L CA 1.711 56.572 54.840 0.035 0.000 0.755 546 L CB -0.743 41.330 42.059 0.022 0.000 0.904 546 L HN 0.293 nan 8.230 nan 0.000 0.435 547 D N -0.371 120.052 120.400 0.038 0.000 2.144 547 D HA -0.132 4.508 4.640 0.001 0.000 0.200 547 D C 2.343 178.618 176.300 -0.043 0.000 0.978 547 D CA 0.999 55.041 54.000 0.070 0.000 0.833 547 D CB -0.087 40.723 40.800 0.015 0.000 0.961 547 D HN 0.071 nan 8.370 nan 0.000 0.470 548 V N 1.021 120.792 119.914 -0.239 0.000 2.295 548 V HA -0.220 3.900 4.120 0.001 0.000 0.246 548 V C 2.632 178.655 176.094 -0.117 0.000 1.049 548 V CA 1.185 63.327 62.300 -0.264 0.000 1.024 548 V CB -0.484 31.170 31.823 -0.282 0.000 0.648 548 V HN 0.188 nan 8.190 nan 0.000 0.447 549 L N -0.545 120.664 121.223 -0.023 0.000 2.131 549 L HA -0.205 4.136 4.340 0.001 0.000 0.210 549 L C 2.611 179.484 176.870 0.006 0.000 1.092 549 L CA 1.783 56.633 54.840 0.016 0.000 0.759 549 L CB -0.829 41.273 42.059 0.071 0.000 0.903 549 L HN 0.487 nan 8.230 nan 0.000 0.435 550 H N 0.101 119.142 119.070 -0.049 0.000 2.423 550 H HA -0.103 4.454 4.556 0.001 0.000 0.297 550 H C 1.981 177.285 175.328 -0.040 0.000 1.075 550 H CA 1.450 57.481 56.048 -0.029 0.000 1.342 550 H CB 0.269 30.062 29.762 0.051 0.000 1.395 550 H HN 0.341 nan 8.280 nan 0.000 0.530 551 G N 0.662 109.412 108.800 -0.083 0.000 2.421 551 G HA2 -0.110 3.851 3.960 0.001 0.000 0.217 551 G HA3 -0.110 3.851 3.960 0.001 0.000 0.217 551 G C 1.910 176.692 174.900 -0.197 0.000 1.143 551 G CA 0.502 45.505 45.100 -0.161 0.000 0.784 551 G HN 0.384 nan 8.290 nan 0.000 0.541 552 I N -0.795 119.676 120.570 -0.165 0.000 2.333 552 I HA 0.103 4.274 4.170 0.001 0.000 0.246 552 I C 0.892 176.909 176.117 -0.166 0.000 1.106 552 I CA 0.803 62.031 61.300 -0.120 0.000 1.411 552 I CB 0.246 38.219 38.000 -0.045 0.000 1.082 552 I HN 0.001 nan 8.210 nan 0.000 0.420 553 K N 0.141 120.410 120.400 -0.218 0.000 2.761 553 K HA 0.158 4.479 4.320 0.001 0.000 0.257 553 K C 0.708 177.133 176.600 -0.293 0.000 1.053 553 K CA 0.009 56.107 56.287 -0.315 0.000 1.035 553 K CB 0.862 33.035 32.500 -0.545 0.000 1.267 553 K HN 0.050 nan 8.250 nan 0.000 0.505 554 S N 1.972 117.460 115.700 -0.353 0.000 2.383 554 S HA -0.185 4.286 4.470 0.001 0.000 0.229 554 S C 1.131 175.670 174.600 -0.102 0.000 1.030 554 S CA 1.389 59.315 58.200 -0.456 0.000 1.002 554 S CB -0.269 62.651 63.200 -0.468 0.000 0.829 554 S HN 0.620 nan 8.310 nan 0.000 0.467 555 E N 0.600 120.761 120.200 -0.065 0.000 2.209 555 E HA -0.058 4.293 4.350 0.001 0.000 0.196 555 E C 1.470 178.212 176.600 0.237 0.000 0.993 555 E CA 1.039 57.482 56.400 0.073 0.000 0.819 555 E CB -0.483 29.258 29.700 0.068 0.000 0.745 555 E HN 0.673 nan 8.360 nan 0.000 0.477 556 Y N -0.470 119.819 120.300 -0.020 0.000 2.516 556 Y HA 0.089 4.639 4.550 0.001 0.000 0.291 556 Y C 0.454 176.328 175.900 -0.043 0.000 1.131 556 Y CA -0.199 57.888 58.100 -0.022 0.000 1.281 556 Y CB 0.151 38.596 38.460 -0.025 0.000 1.013 556 Y HN -0.209 nan 8.280 nan 0.000 0.554 557 V N 1.803 121.782 119.914 0.108 0.000 2.293 557 V HA 0.148 4.269 4.120 0.001 0.000 0.275 557 V C -0.417 175.580 176.094 -0.162 0.000 1.021 557 V CA -1.127 61.130 62.300 -0.072 0.000 0.815 557 V CB 1.389 33.133 31.823 -0.132 0.000 1.025 557 V HN -0.019 nan 8.190 nan 0.000 0.448 558 D N 3.528 123.843 120.400 -0.142 0.000 2.396 558 D HA 0.188 4.828 4.640 0.001 0.000 0.225 558 D C 0.568 176.787 176.300 -0.134 0.000 1.121 558 D CA -0.290 53.665 54.000 -0.076 0.000 0.853 558 D CB 1.019 41.811 40.800 -0.013 0.000 1.043 558 D HN 0.534 nan 8.370 nan 0.000 0.500 559 Y N 2.337 122.643 120.300 0.009 0.000 2.651 559 Y HA -0.104 4.447 4.550 0.001 0.000 0.296 559 Y C 2.002 177.898 175.900 -0.007 0.000 1.150 559 Y CA 0.311 58.401 58.100 -0.017 0.000 1.348 559 Y CB 0.025 38.452 38.460 -0.055 0.000 0.983 559 Y HN 0.399 nan 8.280 nan 0.000 0.555 560 N N -0.123 118.640 118.700 0.105 0.000 2.459 560 N HA -0.045 4.696 4.740 0.001 0.000 0.181 560 N C 1.163 176.697 175.510 0.040 0.000 1.046 560 N CA 0.923 54.013 53.050 0.067 0.000 0.904 560 N CB -0.004 38.512 38.487 0.048 0.000 0.964 560 N HN 0.413 nan 8.380 nan 0.000 0.444 561 L N 0.307 121.542 121.223 0.020 0.000 2.607 561 L HA 0.218 4.558 4.340 0.001 0.000 0.228 561 L C -0.048 176.824 176.870 0.004 0.000 1.123 561 L CA -0.015 54.826 54.840 0.002 0.000 0.890 561 L CB 0.518 42.566 42.059 -0.020 0.000 1.103 561 L HN -0.215 nan 8.230 nan 0.000 0.468 562 V N 0.305 120.239 119.914 0.033 0.000 2.370 562 V HA 0.240 4.361 4.120 0.001 0.000 0.283 562 V C 0.732 176.869 176.094 0.072 0.000 1.023 562 V CA -0.509 61.826 62.300 0.057 0.000 0.857 562 V CB 1.500 33.398 31.823 0.125 0.000 0.985 562 V HN 0.323 nan 8.190 nan 0.000 0.443 563 T N 0.608 115.190 114.554 0.048 0.000 2.814 563 T HA 0.194 4.544 4.350 0.001 0.000 0.284 563 T C 0.759 175.487 174.700 0.046 0.000 0.998 563 T CA 0.071 62.194 62.100 0.039 0.000 0.935 563 T CB 0.980 69.862 68.868 0.023 0.000 1.167 563 T HN 0.726 nan 8.240 nan 0.000 0.545 564 D N -1.663 118.757 120.400 0.032 0.000 2.349 564 D HA 0.139 4.779 4.640 0.001 0.000 0.214 564 D C 1.498 177.815 176.300 0.027 0.000 1.063 564 D CA 0.399 54.418 54.000 0.030 0.000 0.847 564 D CB -0.908 39.903 40.800 0.019 0.000 0.933 564 D HN 1.137 nan 8.370 nan 0.000 0.513 565 G N 1.445 110.260 108.800 0.024 0.000 2.296 565 G HA2 -0.393 3.568 3.960 0.001 0.000 0.282 565 G HA3 -0.393 3.568 3.960 0.001 0.000 0.282 565 G C 1.100 176.007 174.900 0.012 0.000 1.014 565 G CA 1.090 46.201 45.100 0.017 0.000 0.812 565 G HN 0.591 nan 8.290 nan 0.000 0.508 566 S N -1.331 114.375 115.700 0.010 0.000 2.474 566 S HA 0.153 4.624 4.470 0.001 0.000 0.235 566 S C 1.252 175.853 174.600 0.002 0.000 0.997 566 S CA 1.573 59.776 58.200 0.005 0.000 0.949 566 S CB -0.137 63.066 63.200 0.004 0.000 0.766 566 S HN 1.763 nan 8.310 nan 0.000 0.517 567 T N -2.037 112.517 114.554 0.001 0.000 2.930 567 T HA 0.498 4.849 4.350 0.001 0.000 0.290 567 T C 0.538 175.235 174.700 -0.004 0.000 1.052 567 T CA -0.639 61.459 62.100 -0.002 0.000 1.017 567 T CB 1.910 70.776 68.868 -0.003 0.000 1.137 567 T HN 0.119 nan 8.240 nan 0.000 0.511 568 E N 0.026 120.221 120.200 -0.007 0.000 2.077 568 E HA -0.211 4.139 4.350 0.001 0.000 0.193 568 E C 1.746 178.340 176.600 -0.011 0.000 0.989 568 E CA 1.407 57.800 56.400 -0.010 0.000 0.800 568 E CB -0.044 29.649 29.700 -0.013 0.000 0.746 568 E HN 0.748 nan 8.360 nan 0.000 0.452 569 E N 0.710 120.904 120.200 -0.009 0.000 2.077 569 E HA -0.157 4.194 4.350 0.001 0.000 0.193 569 E C 2.047 178.642 176.600 -0.008 0.000 0.989 569 E CA 1.200 57.595 56.400 -0.009 0.000 0.800 569 E CB -0.300 29.395 29.700 -0.008 0.000 0.746 569 E HN 0.371 nan 8.360 nan 0.000 0.452 570 L N -0.298 120.923 121.223 -0.004 0.000 2.093 570 L HA -0.070 4.271 4.340 0.001 0.000 0.208 570 L C 2.488 179.358 176.870 -0.000 0.000 1.085 570 L CA 0.960 55.800 54.840 -0.000 0.000 0.755 570 L CB -0.573 41.488 42.059 0.004 0.000 0.904 570 L HN 0.200 nan 8.230 nan 0.000 0.435 571 A N 0.377 123.196 122.820 -0.002 0.000 1.877 571 A HA -0.195 4.125 4.320 0.001 0.000 0.216 571 A C 2.090 179.665 177.584 -0.015 0.000 1.186 571 A CA 1.581 53.615 52.037 -0.004 0.000 0.620 571 A CB -0.562 18.435 19.000 -0.006 0.000 0.822 571 A HN 0.244 nan 8.150 nan 0.000 0.443 572 I N 0.339 120.897 120.570 -0.019 0.000 2.264 572 I HA -0.291 3.880 4.170 0.001 0.000 0.248 572 I C 2.626 178.727 176.117 -0.025 0.000 1.111 572 I CA 1.598 62.882 61.300 -0.027 0.000 1.382 572 I CB -0.611 37.374 38.000 -0.025 0.000 1.060 572 I HN 0.424 nan 8.210 nan 0.000 0.418 573 Q N -0.282 119.508 119.800 -0.017 0.000 2.119 573 Q HA -0.180 4.160 4.340 0.001 0.000 0.201 573 Q C 1.992 177.984 176.000 -0.015 0.000 0.972 573 Q CA 1.272 57.066 55.803 -0.014 0.000 0.847 573 Q CB -0.245 28.488 28.738 -0.009 0.000 0.903 573 Q HN 0.503 nan 8.270 nan 0.000 0.433 574 N N 0.738 119.431 118.700 -0.010 0.000 2.120 574 N HA -0.114 4.627 4.740 0.001 0.000 0.188 574 N C 1.649 177.144 175.510 -0.024 0.000 1.024 574 N CA 1.424 54.470 53.050 -0.006 0.000 0.852 574 N CB -0.344 38.149 38.487 0.010 0.000 1.003 574 N HN 0.246 nan 8.380 nan 0.000 0.424 575 A N 1.019 123.813 122.820 -0.044 0.000 1.902 575 A HA -0.120 4.201 4.320 0.001 0.000 0.217 575 A C 2.255 179.793 177.584 -0.075 0.000 1.181 575 A CA 1.332 53.315 52.037 -0.090 0.000 0.623 575 A CB -0.470 18.466 19.000 -0.107 0.000 0.818 575 A HN 0.261 nan 8.150 nan 0.000 0.443 576 R N -0.843 119.629 120.500 -0.046 0.000 2.092 576 R HA -0.102 4.239 4.340 0.001 0.000 0.231 576 R C 2.011 178.301 176.300 -0.016 0.000 1.119 576 R CA 1.552 57.635 56.100 -0.029 0.000 0.970 576 R CB -0.345 29.941 30.300 -0.023 0.000 0.864 576 R HN 0.447 nan 8.270 nan 0.000 0.440 577 L N 0.508 121.721 121.223 -0.017 0.000 2.056 577 L HA 0.019 4.360 4.340 0.001 0.000 0.207 577 L C 2.223 179.097 176.870 0.007 0.000 1.078 577 L CA 2.061 56.893 54.840 -0.013 0.000 0.749 577 L CB -0.624 41.423 42.059 -0.020 0.000 0.901 577 L HN 0.205 nan 8.230 nan 0.000 0.433 578 A N -0.073 122.758 122.820 0.019 0.000 1.877 578 A HA -0.197 4.124 4.320 0.001 0.000 0.216 578 A C 2.284 179.967 177.584 0.165 0.000 1.186 578 A CA 2.199 54.289 52.037 0.088 0.000 0.620 578 A CB -0.936 18.102 19.000 0.063 0.000 0.822 578 A HN 0.513 nan 8.150 nan 0.000 0.443 579 I N -0.252 120.383 120.570 0.108 0.000 2.226 579 I HA -0.230 3.941 4.170 0.001 0.000 0.245 579 I C 2.621 178.796 176.117 0.098 0.000 1.100 579 I CA 1.535 62.934 61.300 0.166 0.000 1.374 579 I CB -0.262 37.783 38.000 0.076 0.000 1.057 579 I HN 0.232 nan 8.210 nan 0.000 0.413 580 S N 0.624 116.348 115.700 0.040 0.000 2.402 580 S HA -0.052 4.418 4.470 0.001 0.000 0.229 580 S C 1.979 176.570 174.600 -0.014 0.000 1.021 580 S CA 1.057 59.258 58.200 0.002 0.000 0.974 580 S CB -0.199 62.989 63.200 -0.021 0.000 0.800 580 S HN 0.339 nan 8.310 nan 0.000 0.484 581 I N 1.504 122.078 120.570 0.007 0.000 2.252 581 I HA -0.159 4.011 4.170 0.001 0.000 0.245 581 I C 2.668 178.813 176.117 0.047 0.000 1.102 581 I CA 0.978 62.276 61.300 -0.002 0.000 1.385 581 I CB -0.449 37.576 38.000 0.042 0.000 1.064 581 I HN 0.262 nan 8.210 nan 0.000 0.414 582 A N 0.888 123.751 122.820 0.071 0.000 1.933 582 A HA -0.194 4.127 4.320 0.001 0.000 0.218 582 A C 2.366 179.947 177.584 -0.005 0.000 1.175 582 A CA 1.416 53.470 52.037 0.028 0.000 0.628 582 A CB -0.517 18.486 19.000 0.006 0.000 0.814 582 A HN 0.312 nan 8.150 nan 0.000 0.444 583 R N -0.588 119.911 120.500 -0.003 0.000 2.115 583 R HA -0.069 4.272 4.340 0.001 0.000 0.230 583 R C 2.270 178.550 176.300 -0.034 0.000 1.111 583 R CA 1.354 57.437 56.100 -0.028 0.000 0.976 583 R CB -0.205 30.080 30.300 -0.024 0.000 0.870 583 R HN 0.546 nan 8.270 nan 0.000 0.445 584 K N 1.084 121.459 120.400 -0.042 0.000 2.211 584 K HA -0.093 4.227 4.320 0.001 0.000 0.203 584 K C 1.589 178.200 176.600 0.017 0.000 1.050 584 K CA 1.011 57.254 56.287 -0.073 0.000 0.945 584 K CB 0.096 32.469 32.500 -0.212 0.000 0.732 584 K HN 0.184 nan 8.250 nan 0.000 0.451 585 L N -0.530 120.739 121.223 0.078 0.000 2.554 585 L HA 0.084 4.425 4.340 0.001 0.000 0.226 585 L C 1.113 177.990 176.870 0.013 0.000 1.137 585 L CA 0.618 55.518 54.840 0.101 0.000 0.863 585 L CB 0.273 42.391 42.059 0.099 0.000 0.985 585 L HN 0.541 nan 8.230 nan 0.000 0.451 586 G N -0.350 108.440 108.800 -0.016 0.000 2.163 586 G HA2 -0.210 3.750 3.960 0.001 0.000 0.213 586 G HA3 -0.210 3.750 3.960 0.001 0.000 0.213 586 G C 0.331 175.193 174.900 -0.063 0.000 0.991 586 G CA -0.154 44.924 45.100 -0.038 0.000 0.653 586 G HN 0.431 nan 8.290 nan 0.000 0.518 587 A N 0.024 122.795 122.820 -0.081 0.000 2.440 587 A HA 0.637 4.957 4.320 0.001 0.000 0.251 587 A C 0.555 178.048 177.584 -0.152 0.000 1.089 587 A CA 0.256 52.213 52.037 -0.133 0.000 0.779 587 A CB 0.956 19.850 19.000 -0.177 0.000 1.022 587 A HN 1.117 nan 8.150 nan 0.000 0.492 588 V N 4.892 124.690 119.914 -0.194 0.000 2.334 588 V HA 0.277 4.398 4.120 0.001 0.000 0.267 588 V C -0.094 175.758 176.094 -0.403 0.000 1.040 588 V CA 0.257 62.388 62.300 -0.282 0.000 0.866 588 V CB -0.009 31.682 31.823 -0.220 0.000 1.019 588 V HN 0.654 nan 8.190 nan 0.000 0.468 589 I N 4.902 125.244 120.570 -0.380 0.000 2.465 589 I HA 0.417 4.587 4.170 0.001 0.000 0.291 589 I C -0.068 175.946 176.117 -0.172 0.000 1.014 589 I CA -0.191 61.003 61.300 -0.176 0.000 1.093 589 I CB 1.990 40.012 38.000 0.036 0.000 1.267 589 I HN 0.461 nan 8.210 nan 0.000 0.431 590 F N 5.420 125.632 119.950 0.437 0.000 2.661 590 F HA 0.327 4.855 4.527 0.001 0.000 0.306 590 F C 0.841 176.707 175.800 0.111 0.000 1.094 590 F CA -0.480 57.645 58.000 0.208 0.000 1.254 590 F CB 0.420 39.505 39.000 0.141 0.000 1.040 590 F HN 0.311 nan 8.300 nan 0.000 0.562 591 I N -1.334 119.410 120.570 0.290 0.000 3.062 591 I HA 0.555 4.725 4.170 0.001 0.000 0.318 591 I C -0.574 175.594 176.117 0.085 0.000 1.026 591 I CA -0.930 60.459 61.300 0.149 0.000 1.096 591 I CB 1.337 39.425 38.000 0.147 0.000 1.348 591 I HN -0.184 nan 8.210 nan 0.000 0.543 592 L N 1.527 122.762 121.223 0.019 0.000 2.304 592 L HA 0.461 4.801 4.340 0.001 0.000 0.268 592 L C -1.764 175.077 176.870 -0.048 0.000 1.010 592 L CA -1.630 53.206 54.840 -0.006 0.000 0.813 592 L CB 1.831 43.883 42.059 -0.013 0.000 1.315 592 L HN 0.360 nan 8.230 nan 0.000 0.445 593 P HA -0.221 nan 4.420 nan 0.000 0.216 593 P C 1.102 178.354 177.300 -0.079 0.000 1.153 593 P CA 1.291 64.343 63.100 -0.081 0.000 0.858 593 P CB 0.101 31.767 31.700 -0.056 0.000 0.789 594 E N -0.473 119.692 120.200 -0.059 0.000 2.209 594 E HA -0.224 4.127 4.350 0.001 0.000 0.196 594 E C 1.144 177.704 176.600 -0.066 0.000 0.993 594 E CA 1.252 57.619 56.400 -0.055 0.000 0.819 594 E CB -0.897 28.775 29.700 -0.046 0.000 0.745 594 E HN 0.245 nan 8.360 nan 0.000 0.477 595 D N 0.898 121.253 120.400 -0.075 0.000 2.178 595 D HA -0.061 4.580 4.640 0.001 0.000 0.202 595 D C 2.061 178.308 176.300 -0.089 0.000 0.974 595 D CA 0.896 54.846 54.000 -0.082 0.000 0.841 595 D CB 0.005 40.758 40.800 -0.077 0.000 0.953 595 D HN 0.369 nan 8.370 nan 0.000 0.478 596 I N 0.416 120.917 120.570 -0.115 0.000 2.277 596 I HA -0.174 3.996 4.170 0.001 0.000 0.243 596 I C 2.416 178.492 176.117 -0.068 0.000 1.094 596 I CA 0.387 61.615 61.300 -0.120 0.000 1.393 596 I CB -0.016 37.857 38.000 -0.212 0.000 1.078 596 I HN -0.166 nan 8.210 nan 0.000 0.417 597 V N 1.222 121.097 119.914 -0.064 0.000 2.392 597 V HA -0.290 3.831 4.120 0.001 0.000 0.249 597 V C 2.418 178.492 176.094 -0.034 0.000 1.059 597 V CA 2.066 64.342 62.300 -0.040 0.000 1.051 597 V CB -0.926 30.875 31.823 -0.038 0.000 0.658 597 V HN 0.516 nan 8.190 nan 0.000 0.455 598 A N -1.055 121.739 122.820 -0.043 0.000 2.251 598 A HA 0.255 4.576 4.320 0.001 0.000 0.209 598 A C 1.209 178.769 177.584 -0.039 0.000 1.187 598 A CA 0.488 52.500 52.037 -0.041 0.000 0.823 598 A CB -0.141 18.830 19.000 -0.049 0.000 0.846 598 A HN 0.738 nan 8.150 nan 0.000 0.486 599 V N -0.150 119.743 119.914 -0.036 0.000 5.820 599 V HA -0.250 3.871 4.120 0.001 0.000 0.300 599 V C 0.257 176.329 176.094 -0.035 0.000 0.585 599 V CA 1.389 63.675 62.300 -0.023 0.000 0.629 599 V CB -2.254 29.564 31.823 -0.008 0.000 0.291 599 V HN 0.699 nan 8.190 nan 0.000 0.887 600 R N 2.665 123.129 120.500 -0.061 0.000 2.272 600 R HA 0.209 4.549 4.340 0.001 0.000 0.334 600 R C -0.589 175.656 176.300 -0.092 0.000 1.117 600 R CA -1.206 54.840 56.100 -0.090 0.000 0.966 600 R CB 0.696 30.924 30.300 -0.120 0.000 1.049 600 R HN 0.384 nan 8.270 nan 0.000 0.477 601 P HA -0.303 nan 4.420 nan 0.000 0.219 601 P C 0.543 177.778 177.300 -0.107 0.000 1.161 601 P CA 1.697 64.778 63.100 -0.032 0.000 0.909 601 P CB 0.185 31.873 31.700 -0.020 0.000 0.793 602 R N -0.685 119.633 120.500 -0.304 0.000 2.115 602 R HA 0.007 4.348 4.340 0.001 0.000 0.230 602 R C 2.710 178.857 176.300 -0.255 0.000 1.111 602 R CA 1.029 56.769 56.100 -0.601 0.000 0.976 602 R CB -0.704 28.889 30.300 -1.178 0.000 0.870 602 R HN 0.285 nan 8.270 nan 0.000 0.445 603 L N -0.058 121.068 121.223 -0.162 0.000 2.179 603 L HA -0.074 4.267 4.340 0.001 0.000 0.208 603 L C 2.262 179.164 176.870 0.054 0.000 1.096 603 L CA 0.605 55.434 54.840 -0.018 0.000 0.779 603 L CB -0.338 41.675 42.059 -0.078 0.000 0.922 603 L HN 0.008 nan 8.230 nan 0.000 0.443 604 V N 0.387 120.278 119.914 -0.038 0.000 2.358 604 V HA -0.278 3.842 4.120 0.001 0.000 0.246 604 V C 2.378 178.334 176.094 -0.230 0.000 1.047 604 V CA 1.601 63.855 62.300 -0.077 0.000 1.035 604 V CB -0.191 31.581 31.823 -0.084 0.000 0.658 604 V HN 0.360 nan 8.190 nan 0.000 0.452 605 L N -0.390 120.658 121.223 -0.292 0.000 2.083 605 L HA -0.223 4.118 4.340 0.001 0.000 0.209 605 L C 2.656 179.514 176.870 -0.020 0.000 1.083 605 L CA 1.955 56.584 54.840 -0.352 0.000 0.752 605 L CB -0.612 41.512 42.059 0.109 0.000 0.899 605 L HN 0.508 nan 8.230 nan 0.000 0.433 606 H N -0.753 118.366 119.070 0.081 0.000 2.352 606 H HA -0.295 4.262 4.556 0.001 0.000 0.299 606 H C 2.092 177.451 175.328 0.052 0.000 1.097 606 H CA 2.348 58.458 56.048 0.102 0.000 1.311 606 H CB -0.296 29.573 29.762 0.178 0.000 1.377 606 H HN 0.492 nan 8.280 nan 0.000 0.504 607 F N 1.522 121.382 119.950 -0.150 0.000 2.075 607 F HA -0.195 4.333 4.527 0.001 0.000 0.297 607 F C 2.444 178.137 175.800 -0.179 0.000 1.113 607 F CA 1.201 59.086 58.000 -0.191 0.000 1.218 607 F CB -0.462 38.500 39.000 -0.063 0.000 0.984 607 F HN 0.073 nan 8.300 nan 0.000 0.472 608 I N 0.927 121.419 120.570 -0.131 0.000 2.226 608 I HA -0.212 3.959 4.170 0.001 0.000 0.245 608 I C 2.817 178.800 176.117 -0.223 0.000 1.100 608 I CA 1.574 62.796 61.300 -0.130 0.000 1.374 608 I CB -2.324 35.664 38.000 -0.019 0.000 1.057 608 I HN 0.331 nan 8.210 nan 0.000 0.413 609 G N 0.693 109.360 108.800 -0.222 0.000 2.432 609 G HA2 -0.263 3.698 3.960 0.001 0.000 0.219 609 G HA3 -0.263 3.698 3.960 0.001 0.000 0.219 609 G C 1.802 176.512 174.900 -0.317 0.000 1.135 609 G CA 1.247 46.200 45.100 -0.245 0.000 0.767 609 G HN 0.534 nan 8.290 nan 0.000 0.550 610 S N 0.319 115.782 115.700 -0.394 0.000 2.402 610 S HA 0.063 4.534 4.470 0.001 0.000 0.229 610 S C 2.309 176.702 174.600 -0.344 0.000 1.021 610 S CA 0.826 58.796 58.200 -0.384 0.000 0.974 610 S CB -0.291 62.619 63.200 -0.483 0.000 0.800 610 S HN 0.295 nan 8.310 nan 0.000 0.484 611 L N 0.176 121.165 121.223 -0.389 0.000 2.109 611 L HA 0.097 4.437 4.340 0.001 0.000 0.207 611 L C 2.766 179.512 176.870 -0.207 0.000 1.086 611 L CA 1.147 55.840 54.840 -0.246 0.000 0.760 611 L CB -0.590 41.378 42.059 -0.152 0.000 0.910 611 L HN 0.357 nan 8.230 nan 0.000 0.437 612 M N -0.399 118.905 119.600 -0.493 0.000 2.446 612 M HA -0.117 4.363 4.480 0.001 0.000 0.263 612 M C 1.899 177.974 176.300 -0.374 0.000 1.066 612 M CA 1.365 56.198 55.300 -0.779 0.000 1.087 612 M CB -0.266 31.728 32.600 -1.010 0.000 1.406 612 M HN 0.260 nan 8.290 nan 0.000 0.459 613 A N -0.026 122.639 122.820 -0.258 0.000 2.348 613 A HA 0.285 4.606 4.320 0.001 0.000 0.224 613 A C 0.905 178.424 177.584 -0.107 0.000 1.227 613 A CA -0.309 51.630 52.037 -0.164 0.000 0.885 613 A CB -0.342 18.570 19.000 -0.147 0.000 0.933 613 A HN 0.275 nan 8.150 nan 0.000 0.506 614 V N 0.000 119.858 119.914 -0.094 0.000 2.409 614 V HA 0.000 4.121 4.120 0.001 0.000 0.244 614 V CA 0.000 62.266 62.300 -0.056 0.000 1.235 614 V CB 0.000 31.795 31.823 -0.047 0.000 1.184 614 V HN 0.000 nan 8.190 nan 0.000 0.556