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 1mhl_1_C DATA FIRST_RESID 113 DATA SEQUENCE VNcETScVQQ PPcFPLKIPP NDPRIKNQAD cIPFFRSCPA CPGSNITIRN DATA SEQUENCE QINALTSFVD ASMVYGSEEP LARNLRNMSN QLGLLAVNQR FQDNGRALLP DATA SEQUENCE FDNLHDDPcL LTNRSARIPc FLAGDTRSSE MPELTSMHTL LLREHNRLAT DATA SEQUENCE ELKSLNPRWD GERLYQEARK IVGAMVQIIT YRDYLPLVLG PTAMRKYLPT DATA SEQUENCE YRSYNDSVDP RIANVFTNAF RYGHTLIQPF MFRLDNRYQP MEPNPRVPLS DATA SEQUENCE RVFFASWRVV LEGGIDPILR GLMATPAKLN RQNQIAVDEI RERLFEQVMR DATA SEQUENCE IGLDLPALNM QRSRDHGLPG YNAWRRFcGL PQPETVGQLG TVLRNLKLAR DATA SEQUENCE KLMEQYGTPN NIDIWMGGVS EPLKRKGRVG PLLAcIIGTQ FRKLRDGDRF DATA SEQUENCE WWENEGVFSM QQRQALAQIS LPRIIcDNTG ITTVSKNNIF MSNSYPRDFV DATA SEQUENCE NcSTLPALNL ASWREA 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 113 V HA 0.000 nan 4.120 nan 0.000 0.244 113 V C 0.000 176.094 176.094 0.000 0.000 1.182 113 V CA 0.000 62.302 62.300 0.004 0.000 1.235 113 V CB 0.000 31.815 31.823 -0.014 0.000 1.184 114 N N 2.325 121.016 118.700 -0.014 0.000 2.437 114 N HA 0.228 4.943 4.740 -0.042 0.000 0.243 114 N C 0.934 176.357 175.510 -0.145 0.000 1.041 114 N CA -0.485 52.563 53.050 -0.004 0.000 0.940 114 N CB 1.159 39.662 38.487 0.027 0.000 1.133 114 N HN 0.818 nan 8.380 nan 0.000 0.506 115 c N 2.526 120.855 118.600 -0.452 0.000 2.449 115 c HA -0.021 4.524 4.570 -0.042 0.000 0.283 115 c C 1.902 175.769 174.090 -0.373 0.000 1.453 115 c CA 0.352 56.292 56.329 -0.648 0.000 1.779 115 c CB -1.206 40.420 42.510 -1.472 0.000 1.779 115 c HN 0.795 nan 8.230 nan 0.000 0.546 116 E N 0.529 120.639 120.200 -0.150 0.000 2.318 116 E HA -0.085 4.240 4.350 -0.042 0.000 0.193 116 E C 2.072 178.665 176.600 -0.011 0.000 0.998 116 E CA 1.469 57.869 56.400 0.001 0.000 0.859 116 E CB 0.009 29.785 29.700 0.128 0.000 0.812 116 E HN 0.817 nan 8.360 nan 0.000 0.492 117 T N -2.449 112.090 114.554 -0.024 0.000 3.040 117 T HA 0.143 4.468 4.350 -0.042 0.000 0.250 117 T C 0.654 175.337 174.700 -0.028 0.000 1.058 117 T CA -0.291 61.797 62.100 -0.019 0.000 0.988 117 T CB 0.700 69.561 68.868 -0.011 0.000 0.993 117 T HN -0.043 nan 8.240 nan 0.000 0.519 118 S N -1.543 114.130 115.700 -0.046 0.000 2.661 118 S HA 0.507 4.952 4.470 -0.042 0.000 0.285 118 S C -0.165 174.406 174.600 -0.049 0.000 1.138 118 S CA -0.720 57.455 58.200 -0.041 0.000 0.855 118 S CB 1.475 64.652 63.200 -0.038 0.000 1.136 118 S HN 0.267 nan 8.310 nan 0.000 0.484 119 c N 2.141 120.720 118.600 -0.036 0.000 3.000 119 c HA 0.438 4.983 4.570 -0.042 0.000 0.286 119 c C 0.148 174.225 174.090 -0.022 0.000 1.343 119 c CA -0.391 55.918 56.329 -0.033 0.000 1.742 119 c CB -1.034 41.459 42.510 -0.029 0.000 2.200 119 c HN 0.613 nan 8.230 nan 0.000 0.621 120 V N 2.085 121.986 119.914 -0.021 0.000 2.572 120 V HA 0.050 4.145 4.120 -0.042 0.000 0.291 120 V C 0.370 176.465 176.094 0.002 0.000 1.039 120 V CA 0.475 62.770 62.300 -0.009 0.000 1.055 120 V CB 0.746 32.562 31.823 -0.011 0.000 0.969 120 V HN 0.500 nan 8.190 nan 0.000 0.482 121 Q N 3.826 123.639 119.800 0.022 0.000 2.441 121 Q HA 0.430 4.745 4.340 -0.042 0.000 0.234 121 Q C -0.672 175.352 176.000 0.041 0.000 1.078 121 Q CA -0.300 55.536 55.803 0.055 0.000 0.907 121 Q CB 0.618 29.405 28.738 0.082 0.000 1.269 121 Q HN 0.741 nan 8.270 nan 0.000 0.502 122 Q N 3.799 123.619 119.800 0.033 0.000 2.353 122 Q HA 0.456 4.771 4.340 -0.042 0.000 0.275 122 Q C -2.731 173.285 176.000 0.027 0.000 1.029 122 Q CA -2.021 53.795 55.803 0.022 0.000 0.848 122 Q CB 2.219 30.963 28.738 0.011 0.000 1.390 122 Q HN 0.389 nan 8.270 nan 0.000 0.401 123 P HA 0.028 nan 4.420 nan 0.000 0.262 123 P C -2.130 175.194 177.300 0.040 0.000 1.182 123 P CA -0.409 62.714 63.100 0.037 0.000 0.761 123 P CB 0.350 32.066 31.700 0.027 0.000 0.795 124 P HA 0.116 nan 4.420 nan 0.000 0.266 124 P C -0.743 176.620 177.300 0.105 0.000 1.381 124 P CA 0.039 63.198 63.100 0.099 0.000 0.940 124 P CB 0.112 31.902 31.700 0.151 0.000 1.435 125 c N 0.655 119.280 118.600 0.043 0.000 2.536 125 c HA 0.454 4.999 4.570 -0.042 0.000 0.396 125 c C 0.340 174.579 174.090 0.249 0.000 1.279 125 c CA -0.358 56.002 56.329 0.052 0.000 2.148 125 c CB -0.885 41.582 42.510 -0.072 0.000 2.584 125 c HN 0.281 nan 8.230 nan 0.000 0.579 126 F N 4.869 124.915 119.950 0.160 0.000 2.708 126 F HA 0.374 4.870 4.527 -0.051 0.000 0.344 126 F C -2.408 173.419 175.800 0.046 0.000 1.447 126 F CA -3.125 54.952 58.000 0.129 0.000 1.140 126 F CB 0.313 39.439 39.000 0.210 0.000 1.657 126 F HN 0.407 nan 8.300 nan 0.000 0.598 127 P HA 0.101 nan 4.420 nan 0.000 0.269 127 P C -0.521 176.590 177.300 -0.315 0.000 1.209 127 P CA -0.181 62.851 63.100 -0.114 0.000 0.776 127 P CB 1.431 33.099 31.700 -0.053 0.000 0.876 128 L N 3.114 124.157 121.223 -0.300 0.000 2.319 128 L HA 0.211 4.526 4.340 -0.042 0.000 0.280 128 L C 1.246 177.994 176.870 -0.204 0.000 1.099 128 L CA 0.364 54.999 54.840 -0.341 0.000 0.828 128 L CB -0.286 41.605 42.059 -0.281 0.000 1.150 128 L HN 0.243 nan 8.230 nan 0.000 0.442 129 K N 3.305 123.594 120.400 -0.184 0.000 2.237 129 K HA 0.364 4.659 4.320 -0.042 0.000 0.270 129 K C -0.478 176.063 176.600 -0.098 0.000 1.015 129 K CA -0.574 55.645 56.287 -0.112 0.000 0.949 129 K CB 0.813 33.260 32.500 -0.088 0.000 0.976 129 K HN 0.333 nan 8.250 nan 0.000 0.472 130 I N 5.009 125.536 120.570 -0.072 0.000 2.342 130 I HA 0.180 4.325 4.170 -0.042 0.000 0.291 130 I C -1.705 174.379 176.117 -0.055 0.000 1.010 130 I CA -2.923 58.339 61.300 -0.063 0.000 1.308 130 I CB 0.423 38.392 38.000 -0.050 0.000 1.400 130 I HN 0.477 nan 8.210 nan 0.000 0.488 131 P HA 0.205 nan 4.420 nan 0.000 0.270 131 P C -2.697 174.580 177.300 -0.039 0.000 1.223 131 P CA -1.178 61.893 63.100 -0.049 0.000 0.785 131 P CB -0.487 31.180 31.700 -0.054 0.000 0.923 132 P HA 0.000 nan 4.420 nan 0.000 0.267 132 P C -0.103 177.181 177.300 -0.027 0.000 1.200 132 P CA 0.414 63.498 63.100 -0.027 0.000 0.772 132 P CB -0.100 31.585 31.700 -0.024 0.000 0.855 133 N N -0.287 118.400 118.700 -0.023 0.000 2.705 133 N HA -0.210 4.505 4.740 -0.042 0.000 0.255 133 N C -0.228 175.268 175.510 -0.023 0.000 1.008 133 N CA 0.966 54.003 53.050 -0.021 0.000 0.742 133 N CB -1.372 37.104 38.487 -0.018 0.000 0.906 133 N HN 0.621 nan 8.380 nan 0.000 0.541 134 D N 0.968 121.353 120.400 -0.025 0.000 2.345 134 D HA 0.100 4.715 4.640 -0.042 0.000 0.247 134 D C -0.984 175.303 176.300 -0.022 0.000 1.108 134 D CA -1.382 52.601 54.000 -0.028 0.000 0.894 134 D CB 1.275 42.055 40.800 -0.032 0.000 1.203 134 D HN 0.086 nan 8.370 nan 0.000 0.430 135 P HA -0.080 nan 4.420 nan 0.000 0.231 135 P C 0.855 178.146 177.300 -0.016 0.000 1.158 135 P CA 0.851 63.941 63.100 -0.017 0.000 0.763 135 P CB 0.558 32.249 31.700 -0.015 0.000 0.805 136 R N -0.870 119.619 120.500 -0.019 0.000 2.716 136 R HA 0.227 4.542 4.340 -0.042 0.000 0.186 136 R C 0.407 176.696 176.300 -0.018 0.000 0.830 136 R CA -0.026 56.064 56.100 -0.017 0.000 1.059 136 R CB 0.253 30.543 30.300 -0.018 0.000 1.531 136 R HN -0.031 nan 8.270 nan 0.000 0.633 137 I N 3.494 124.051 120.570 -0.023 0.000 2.276 137 I HA 0.174 4.319 4.170 -0.042 0.000 0.290 137 I C 0.531 176.635 176.117 -0.023 0.000 1.109 137 I CA -0.417 60.870 61.300 -0.023 0.000 1.229 137 I CB 1.678 39.660 38.000 -0.029 0.000 1.452 137 I HN 0.007 nan 8.210 nan 0.000 0.497 138 K N 2.415 122.804 120.400 -0.018 0.000 2.288 138 K HA -0.028 4.267 4.320 -0.042 0.000 0.201 138 K C 0.674 177.264 176.600 -0.017 0.000 1.048 138 K CA 0.515 56.792 56.287 -0.017 0.000 0.956 138 K CB -0.305 32.187 32.500 -0.013 0.000 0.746 138 K HN 0.396 nan 8.250 nan 0.000 0.461 139 N N 2.150 120.839 118.700 -0.018 0.000 2.437 139 N HA 0.009 4.724 4.740 -0.042 0.000 0.243 139 N C 0.418 175.915 175.510 -0.022 0.000 1.041 139 N CA 0.182 53.221 53.050 -0.018 0.000 0.940 139 N CB 0.758 39.235 38.487 -0.016 0.000 1.133 139 N HN 0.003 nan 8.380 nan 0.000 0.506 140 Q N 2.045 121.832 119.800 -0.022 0.000 2.561 140 Q HA -0.037 4.278 4.340 -0.042 0.000 0.217 140 Q C 0.603 176.587 176.000 -0.025 0.000 0.980 140 Q CA 0.856 56.643 55.803 -0.026 0.000 0.927 140 Q CB 0.176 28.900 28.738 -0.024 0.000 0.980 140 Q HN 0.715 nan 8.270 nan 0.000 0.525 141 A N 0.193 123.000 122.820 -0.022 0.000 2.348 141 A HA 0.015 4.310 4.320 -0.042 0.000 0.224 141 A C 0.507 178.077 177.584 -0.023 0.000 1.227 141 A CA -0.178 51.846 52.037 -0.021 0.000 0.885 141 A CB 0.293 19.283 19.000 -0.016 0.000 0.933 141 A HN 0.138 nan 8.150 nan 0.000 0.506 142 D N -0.433 119.951 120.400 -0.026 0.000 2.469 142 D HA 0.521 5.136 4.640 -0.042 0.000 0.278 142 D C 0.113 176.391 176.300 -0.036 0.000 1.231 142 D CA 0.514 54.498 54.000 -0.027 0.000 1.075 142 D CB 1.496 42.282 40.800 -0.024 0.000 1.121 142 D HN 0.573 nan 8.370 nan 0.000 0.571 143 c N -1.529 117.047 118.600 -0.040 0.000 3.231 143 c HA 0.601 5.146 4.570 -0.042 0.000 0.343 143 c C -0.930 173.132 174.090 -0.048 0.000 1.349 143 c CA -1.071 55.226 56.329 -0.054 0.000 1.209 143 c CB -0.249 42.226 42.510 -0.057 0.000 1.475 143 c HN 0.482 nan 8.230 nan 0.000 0.460 144 I N 3.069 123.602 120.570 -0.061 0.000 2.339 144 I HA 0.423 4.568 4.170 -0.042 0.000 0.290 144 I C -1.888 174.223 176.117 -0.010 0.000 0.994 144 I CA -1.864 59.413 61.300 -0.039 0.000 1.191 144 I CB 2.056 40.022 38.000 -0.058 0.000 1.343 144 I HN 0.561 nan 8.210 nan 0.000 0.458 145 P HA 0.023 nan 4.420 nan 0.000 0.266 145 P C -0.994 176.400 177.300 0.157 0.000 1.193 145 P CA 0.337 63.460 63.100 0.037 0.000 0.770 145 P CB 0.670 32.391 31.700 0.035 0.000 0.836 146 F N 2.543 122.449 119.950 -0.073 0.000 2.639 146 F HA 0.434 4.949 4.527 -0.020 0.000 0.326 146 F C -1.923 173.901 175.800 0.039 0.000 1.150 146 F CA -0.796 57.221 58.000 0.029 0.000 1.057 146 F CB 0.945 39.923 39.000 -0.037 0.000 1.300 146 F HN 0.038 nan 8.300 nan 0.000 0.486 147 F N 5.087 124.870 119.950 -0.278 0.000 2.458 147 F HA 0.600 5.103 4.527 -0.040 0.000 0.336 147 F C 0.546 176.169 175.800 -0.296 0.000 1.114 147 F CA -0.784 57.133 58.000 -0.137 0.000 0.987 147 F CB 1.487 40.417 39.000 -0.117 0.000 1.130 147 F HN 0.282 nan 8.300 nan 0.000 0.458 148 R N 1.177 121.803 120.500 0.210 0.000 2.643 148 R HA 0.247 4.562 4.340 -0.042 0.000 0.270 148 R C -0.004 176.367 176.300 0.118 0.000 1.061 148 R CA -0.200 56.038 56.100 0.229 0.000 1.107 148 R CB 0.581 31.031 30.300 0.250 0.000 0.999 148 R HN 0.610 nan 8.270 nan 0.000 0.460 149 S N 1.250 117.025 115.700 0.126 0.000 2.576 149 S HA 0.026 4.471 4.470 -0.042 0.000 0.276 149 S C 0.274 174.896 174.600 0.037 0.000 1.339 149 S CA -0.690 57.555 58.200 0.075 0.000 1.039 149 S CB 0.563 63.834 63.200 0.118 0.000 0.902 149 S HN 0.536 nan 8.310 nan 0.000 0.516 150 C N 5.306 124.615 119.300 0.015 0.000 2.611 150 C HA 0.189 4.624 4.460 -0.042 0.000 0.416 150 C C -1.386 173.598 174.990 -0.010 0.000 1.366 150 C CA -0.881 58.141 59.018 0.008 0.000 1.761 150 C CB -0.866 26.874 27.740 0.000 0.000 2.619 150 C HN 0.597 nan 8.230 nan 0.000 0.606 151 P HA 0.241 nan 4.420 nan 0.000 0.282 151 P C -0.093 177.199 177.300 -0.013 0.000 1.249 151 P CA -0.069 63.022 63.100 -0.016 0.000 0.806 151 P CB 1.070 32.767 31.700 -0.005 0.000 0.984 152 A N 1.935 124.744 122.820 -0.018 0.000 2.014 152 A HA -0.024 4.271 4.320 -0.042 0.000 0.218 152 A C 1.249 178.831 177.584 -0.003 0.000 1.163 152 A CA 0.955 52.986 52.037 -0.010 0.000 0.652 152 A CB -0.660 18.333 19.000 -0.011 0.000 0.808 152 A HN 0.631 nan 8.150 nan 0.000 0.449 153 C N 1.553 120.852 119.300 -0.003 0.000 3.002 153 C HA 0.570 5.005 4.460 -0.042 0.000 0.248 153 C C -2.917 172.074 174.990 0.002 0.000 1.153 153 C CA -2.565 56.453 59.018 0.001 0.000 1.502 153 C CB -0.596 27.145 27.740 0.002 0.000 1.805 153 C HN 0.273 nan 8.230 nan 0.000 0.450 154 P HA 0.331 nan 4.420 nan 0.000 0.268 154 P C 1.008 178.311 177.300 0.006 0.000 1.205 154 P CA 1.790 64.894 63.100 0.006 0.000 0.771 154 P CB 0.587 32.292 31.700 0.009 0.000 0.858 155 G N 1.525 110.329 108.800 0.006 0.000 2.284 155 G HA2 -0.301 3.634 3.960 -0.042 0.000 0.261 155 G HA3 -0.301 3.634 3.960 -0.042 0.000 0.261 155 G C 0.702 175.604 174.900 0.003 0.000 0.997 155 G CA 0.395 45.498 45.100 0.005 0.000 0.621 155 G HN 0.739 nan 8.290 nan 0.000 0.534 156 S N 0.454 116.155 115.700 0.003 0.000 2.549 156 S HA 0.364 4.809 4.470 -0.042 0.000 0.283 156 S C 1.236 175.836 174.600 0.001 0.000 1.320 156 S CA 0.278 58.479 58.200 0.002 0.000 1.058 156 S CB 0.314 63.516 63.200 0.003 0.000 0.882 156 S HN 0.427 nan 8.310 nan 0.000 0.498 157 N N 3.449 122.149 118.700 0.001 0.000 2.205 157 N HA 0.220 4.935 4.740 -0.042 0.000 0.201 157 N C 0.904 176.414 175.510 0.001 0.000 1.128 157 N CA 0.132 53.182 53.050 0.000 0.000 0.867 157 N CB 0.333 38.820 38.487 0.000 0.000 0.996 157 N HN 0.544 nan 8.380 nan 0.000 0.503 158 I N 0.452 121.023 120.570 0.002 0.000 2.729 158 I HA -0.050 4.095 4.170 -0.042 0.000 0.256 158 I C 0.891 177.010 176.117 0.002 0.000 1.115 158 I CA 0.561 61.863 61.300 0.002 0.000 1.446 158 I CB -0.105 37.897 38.000 0.003 0.000 1.176 158 I HN 0.003 nan 8.210 nan 0.000 0.446 159 T N 1.030 115.585 114.554 0.003 0.000 2.918 159 T HA 0.379 4.704 4.350 -0.042 0.000 0.302 159 T C -0.093 174.608 174.700 0.002 0.000 1.045 159 T CA -0.367 61.735 62.100 0.003 0.000 1.114 159 T CB 1.114 69.983 68.868 0.003 0.000 0.965 159 T HN 0.003 nan 8.240 nan 0.000 0.540 160 I N 2.460 123.032 120.570 0.003 0.000 2.396 160 I HA 0.218 4.363 4.170 -0.042 0.000 0.289 160 I C 1.241 177.359 176.117 0.002 0.000 1.056 160 I CA -0.721 60.581 61.300 0.004 0.000 1.365 160 I CB 0.712 38.717 38.000 0.008 0.000 1.407 160 I HN 0.684 nan 8.210 nan 0.000 0.509 161 R N 5.258 125.757 120.500 -0.001 0.000 2.523 161 R HA -0.050 4.265 4.340 -0.042 0.000 0.281 161 R C -0.521 175.771 176.300 -0.013 0.000 0.969 161 R CA 0.564 56.660 56.100 -0.007 0.000 1.093 161 R CB 0.263 30.559 30.300 -0.007 0.000 0.917 161 R HN 0.638 nan 8.270 nan 0.000 0.408 162 N N 1.858 120.541 118.700 -0.028 0.000 2.357 162 N HA 0.226 4.941 4.740 -0.042 0.000 0.284 162 N C -1.639 173.820 175.510 -0.085 0.000 1.236 162 N CA -0.634 52.389 53.050 -0.045 0.000 0.774 162 N CB 1.830 40.305 38.487 -0.019 0.000 1.534 162 N HN 0.490 nan 8.380 nan 0.000 0.478 163 Q N 0.206 119.919 119.800 -0.145 0.000 2.207 163 Q HA 0.630 4.945 4.340 -0.042 0.000 0.237 163 Q C -0.415 175.540 176.000 -0.075 0.000 0.998 163 Q CA -0.395 55.309 55.803 -0.166 0.000 0.951 163 Q CB 1.361 29.856 28.738 -0.404 0.000 1.213 163 Q HN 0.552 nan 8.270 nan 0.000 0.499 164 I N 0.774 121.316 120.570 -0.046 0.000 2.562 164 I HA 0.362 4.507 4.170 -0.042 0.000 0.301 164 I C -0.476 175.648 176.117 0.012 0.000 1.003 164 I CA -0.970 60.324 61.300 -0.010 0.000 1.127 164 I CB 1.555 39.553 38.000 -0.004 0.000 1.304 164 I HN 0.411 nan 8.210 nan 0.000 0.446 165 N N 3.538 122.249 118.700 0.017 0.000 2.444 165 N HA 0.412 5.127 4.740 -0.042 0.000 0.262 165 N C 0.230 175.758 175.510 0.030 0.000 0.974 165 N CA -0.345 52.723 53.050 0.031 0.000 0.933 165 N CB 1.965 40.463 38.487 0.019 0.000 1.137 165 N HN 0.741 nan 8.380 nan 0.000 0.498 166 A N 4.240 127.083 122.820 0.039 0.000 2.169 166 A HA 0.200 4.495 4.320 -0.042 0.000 0.212 166 A C 0.747 178.361 177.584 0.050 0.000 1.153 166 A CA 0.552 52.613 52.037 0.040 0.000 0.756 166 A CB -0.131 18.893 19.000 0.040 0.000 0.813 166 A HN 0.621 nan 8.150 nan 0.000 0.471 167 L N -0.549 120.707 121.223 0.055 0.000 2.376 167 L HA 0.403 4.718 4.340 -0.042 0.000 0.267 167 L C 0.601 177.502 176.870 0.051 0.000 1.035 167 L CA -0.782 54.097 54.840 0.066 0.000 0.800 167 L CB 1.212 43.319 42.059 0.079 0.000 1.290 167 L HN 0.192 nan 8.230 nan 0.000 0.462 168 T N -3.030 111.570 114.554 0.077 0.000 2.869 168 T HA 0.114 4.439 4.350 -0.042 0.000 0.295 168 T C 1.041 175.729 174.700 -0.021 0.000 0.987 168 T CA -0.247 61.896 62.100 0.073 0.000 1.109 168 T CB 1.298 70.293 68.868 0.212 0.000 0.932 168 T HN 0.734 nan 8.240 nan 0.000 0.518 169 S N 1.856 117.418 115.700 -0.230 0.000 2.423 169 S HA 0.032 4.477 4.470 -0.042 0.000 0.231 169 S C 0.455 174.892 174.600 -0.271 0.000 1.014 169 S CA -0.207 57.806 58.200 -0.312 0.000 0.965 169 S CB -0.853 62.073 63.200 -0.456 0.000 0.785 169 S HN 0.632 nan 8.310 nan 0.000 0.495 170 F N 1.957 121.949 119.950 0.069 0.000 2.545 170 F HA 0.293 4.796 4.527 -0.040 0.000 0.348 170 F C 0.638 176.524 175.800 0.144 0.000 1.163 170 F CA -1.073 56.999 58.000 0.120 0.000 1.331 170 F CB 0.314 39.394 39.000 0.134 0.000 1.138 170 F HN -0.174 nan 8.300 nan 0.000 0.602 171 V N 2.632 122.794 119.914 0.414 0.000 2.222 171 V HA 0.128 4.223 4.120 -0.042 0.000 0.253 171 V C -0.297 175.990 176.094 0.321 0.000 1.210 171 V CA -0.235 62.284 62.300 0.366 0.000 1.079 171 V CB -0.596 31.528 31.823 0.501 0.000 1.265 171 V HN 0.771 nan 8.190 nan 0.000 0.494 172 D N 2.575 123.132 120.400 0.263 0.000 2.650 172 D HA 0.315 4.930 4.640 -0.042 0.000 0.265 172 D C 0.926 177.344 176.300 0.197 0.000 1.339 172 D CA 0.019 54.136 54.000 0.195 0.000 0.816 172 D CB 0.457 41.355 40.800 0.163 0.000 1.091 172 D HN 0.525 nan 8.370 nan 0.000 0.483 173 A N 0.752 123.691 122.820 0.199 0.000 2.799 173 A HA -0.267 4.028 4.320 -0.042 0.000 0.287 173 A C 1.810 179.543 177.584 0.248 0.000 1.484 173 A CA 1.200 53.358 52.037 0.201 0.000 0.813 173 A CB -2.538 16.622 19.000 0.265 0.000 1.009 173 A HN 0.753 nan 8.150 nan 0.000 0.545 174 S N -0.502 115.327 115.700 0.215 0.000 2.469 174 S HA -0.174 4.271 4.470 -0.042 0.000 0.238 174 S C 1.781 176.476 174.600 0.158 0.000 0.998 174 S CA 1.418 59.742 58.200 0.207 0.000 0.957 174 S CB -0.519 62.785 63.200 0.174 0.000 0.764 174 S HN 1.433 nan 8.310 nan 0.000 0.514 175 M N 0.741 120.414 119.600 0.121 0.000 2.562 175 M HA 0.201 4.656 4.480 -0.042 0.000 0.257 175 M C 1.504 177.880 176.300 0.126 0.000 1.099 175 M CA 0.843 56.228 55.300 0.141 0.000 1.099 175 M CB -1.344 31.313 32.600 0.095 0.000 1.427 175 M HN 0.214 nan 8.290 nan 0.000 0.489 176 V N -0.287 119.605 119.914 -0.036 0.000 2.581 176 V HA -0.087 4.009 4.120 -0.042 0.000 0.240 176 V C 1.725 177.599 176.094 -0.366 0.000 1.054 176 V CA 1.061 63.207 62.300 -0.256 0.000 1.076 176 V CB -0.690 30.800 31.823 -0.555 0.000 0.748 176 V HN 0.298 nan 8.190 nan 0.000 0.474 177 Y N 0.868 121.205 120.300 0.062 0.000 2.510 177 Y HA 0.540 5.065 4.550 -0.042 0.000 0.273 177 Y C 1.376 177.328 175.900 0.086 0.000 1.119 177 Y CA 0.427 58.572 58.100 0.075 0.000 1.286 177 Y CB -0.006 38.495 38.460 0.067 0.000 1.061 177 Y HN 0.331 nan 8.280 nan 0.000 0.542 178 G N -0.316 108.598 108.800 0.189 0.000 2.663 178 G HA2 -0.135 3.800 3.960 -0.042 0.000 0.686 178 G HA3 -0.135 3.800 3.960 -0.042 0.000 0.686 178 G C 0.152 175.139 174.900 0.146 0.000 1.246 178 G CA -0.242 44.944 45.100 0.143 0.000 0.795 178 G HN 0.037 nan 8.290 nan 0.000 0.627 179 S N 0.360 116.128 115.700 0.113 0.000 2.650 179 S HA 0.346 4.791 4.470 -0.042 0.000 0.240 179 S C 0.293 174.943 174.600 0.082 0.000 1.007 179 S CA 0.264 58.526 58.200 0.104 0.000 0.984 179 S CB 0.486 63.745 63.200 0.098 0.000 0.910 179 S HN 0.591 nan 8.310 nan 0.000 0.509 180 E N 0.860 121.104 120.200 0.074 0.000 2.272 180 E HA 0.251 4.576 4.350 -0.042 0.000 0.269 180 E C -0.081 176.550 176.600 0.053 0.000 0.877 180 E CA -0.596 55.838 56.400 0.056 0.000 0.755 180 E CB 1.404 31.133 29.700 0.047 0.000 1.192 180 E HN -0.041 nan 8.360 nan 0.000 0.422 181 E N 1.370 121.595 120.200 0.041 0.000 2.070 181 E HA -0.156 4.170 4.350 -0.042 0.000 0.197 181 E C -0.968 175.645 176.600 0.022 0.000 1.004 181 E CA 1.545 57.964 56.400 0.031 0.000 0.805 181 E CB -1.138 28.575 29.700 0.021 0.000 0.744 181 E HN 0.379 nan 8.360 nan 0.000 0.451 182 P HA -0.119 nan 4.420 nan 0.000 0.216 182 P C 1.793 179.102 177.300 0.016 0.000 1.153 182 P CA 0.698 63.806 63.100 0.013 0.000 0.848 182 P CB -0.060 31.648 31.700 0.013 0.000 0.787 183 L N 0.031 121.270 121.223 0.028 0.000 1.994 183 L HA -0.099 4.216 4.340 -0.042 0.000 0.208 183 L C 2.255 179.149 176.870 0.041 0.000 1.071 183 L CA 2.216 57.078 54.840 0.035 0.000 0.745 183 L CB -1.625 40.461 42.059 0.046 0.000 0.892 183 L HN -0.115 nan 8.230 nan 0.000 0.431 184 A N -0.496 122.359 122.820 0.058 0.000 1.917 184 A HA -0.258 4.037 4.320 -0.042 0.000 0.219 184 A C 2.462 180.053 177.584 0.012 0.000 1.182 184 A CA 2.036 54.121 52.037 0.081 0.000 0.633 184 A CB -0.611 18.459 19.000 0.116 0.000 0.819 184 A HN 0.531 nan 8.150 nan 0.000 0.448 185 R N -0.570 119.917 120.500 -0.021 0.000 2.066 185 R HA -0.093 4.223 4.340 -0.042 0.000 0.232 185 R C 1.661 177.932 176.300 -0.048 0.000 1.131 185 R CA 1.394 57.455 56.100 -0.065 0.000 0.955 185 R CB -0.330 29.941 30.300 -0.048 0.000 0.851 185 R HN 0.501 nan 8.270 nan 0.000 0.432 186 N N 0.426 119.116 118.700 -0.017 0.000 2.443 186 N HA -0.119 4.596 4.740 -0.042 0.000 0.184 186 N C 1.131 176.639 175.510 -0.003 0.000 1.037 186 N CA 0.800 53.846 53.050 -0.007 0.000 0.896 186 N CB 0.030 38.522 38.487 0.008 0.000 0.959 186 N HN 0.093 nan 8.380 nan 0.000 0.442 187 L N 0.570 121.793 121.223 -0.001 0.000 2.509 187 L HA 0.122 4.437 4.340 -0.042 0.000 0.222 187 L C 0.695 177.557 176.870 -0.013 0.000 1.123 187 L CA 0.578 55.419 54.840 0.002 0.000 0.856 187 L CB -0.421 41.649 42.059 0.019 0.000 0.985 187 L HN 0.001 nan 8.230 nan 0.000 0.456 188 R N 0.546 121.020 120.500 -0.043 0.000 2.490 188 R HA 0.123 4.438 4.340 -0.042 0.000 0.278 188 R C 0.369 176.651 176.300 -0.031 0.000 1.069 188 R CA -0.502 55.561 56.100 -0.061 0.000 1.080 188 R CB 0.418 30.612 30.300 -0.177 0.000 1.030 188 R HN -0.068 nan 8.270 nan 0.000 0.491 189 N N 3.195 121.894 118.700 -0.003 0.000 2.448 189 N HA -0.003 4.712 4.740 -0.042 0.000 0.250 189 N C 0.136 175.645 175.510 -0.002 0.000 1.136 189 N CA 0.023 53.078 53.050 0.008 0.000 0.953 189 N CB 0.690 39.196 38.487 0.032 0.000 1.251 189 N HN 0.513 nan 8.380 nan 0.000 0.502 190 M N 1.366 120.958 119.600 -0.014 0.000 2.561 190 M HA 0.068 4.523 4.480 -0.042 0.000 0.238 190 M C 0.948 177.245 176.300 -0.005 0.000 1.131 190 M CA 0.251 55.541 55.300 -0.018 0.000 1.046 190 M CB -0.666 31.917 32.600 -0.029 0.000 1.532 190 M HN 0.324 nan 8.290 nan 0.000 0.497 191 S N 1.751 117.453 115.700 0.003 0.000 2.607 191 S HA 0.015 4.460 4.470 -0.042 0.000 0.224 191 S C 0.502 175.109 174.600 0.012 0.000 0.969 191 S CA 0.094 58.298 58.200 0.006 0.000 0.927 191 S CB -0.501 62.703 63.200 0.007 0.000 0.772 191 S HN 0.721 nan 8.310 nan 0.000 0.533 192 N N -0.579 118.131 118.700 0.017 0.000 3.277 192 N HA 0.187 4.902 4.740 -0.042 0.000 0.278 192 N C -1.124 174.405 175.510 0.032 0.000 1.544 192 N CA -0.806 52.258 53.050 0.024 0.000 0.869 192 N CB 0.325 38.828 38.487 0.028 0.000 1.584 192 N HN -0.309 nan 8.380 nan 0.000 0.564 193 Q N -0.024 119.801 119.800 0.041 0.000 2.201 193 Q HA 0.378 4.693 4.340 -0.042 0.000 0.236 193 Q C 0.279 176.325 176.000 0.077 0.000 0.857 193 Q CA 0.008 55.843 55.803 0.054 0.000 1.025 193 Q CB -0.005 28.765 28.738 0.053 0.000 1.124 193 Q HN 0.640 nan 8.270 nan 0.000 0.473 194 L N -0.922 120.348 121.223 0.078 0.000 2.591 194 L HA 0.153 4.468 4.340 -0.042 0.000 0.228 194 L C 1.107 178.057 176.870 0.133 0.000 1.133 194 L CA 0.378 55.275 54.840 0.095 0.000 0.880 194 L CB -0.102 42.002 42.059 0.074 0.000 1.033 194 L HN 0.366 nan 8.230 nan 0.000 0.450 195 G N 1.066 109.960 108.800 0.157 0.000 2.225 195 G HA2 -0.284 3.651 3.960 -0.042 0.000 0.267 195 G HA3 -0.284 3.651 3.960 -0.042 0.000 0.267 195 G C 0.194 175.319 174.900 0.376 0.000 1.024 195 G CA 0.163 45.419 45.100 0.260 0.000 0.784 195 G HN 0.271 nan 8.290 nan 0.000 0.507 196 L N -1.068 120.310 121.223 0.259 0.000 2.439 196 L HA 0.672 4.987 4.340 -0.042 0.000 0.259 196 L C 1.092 178.086 176.870 0.206 0.000 1.129 196 L CA -1.009 53.996 54.840 0.276 0.000 0.803 196 L CB 0.889 43.041 42.059 0.155 0.000 1.161 196 L HN 0.031 nan 8.230 nan 0.000 0.462 197 L N 0.952 122.261 121.223 0.143 0.000 2.334 197 L HA 0.544 4.859 4.340 -0.042 0.000 0.275 197 L C 0.317 177.201 176.870 0.023 0.000 1.036 197 L CA -0.684 54.169 54.840 0.022 0.000 0.807 197 L CB 1.706 43.711 42.059 -0.090 0.000 1.231 197 L HN 0.688 nan 8.230 nan 0.000 0.438 198 A N 2.395 125.217 122.820 0.004 0.000 2.498 198 A HA 0.461 4.756 4.320 -0.042 0.000 0.239 198 A C -0.121 177.457 177.584 -0.010 0.000 1.068 198 A CA -0.211 51.827 52.037 0.001 0.000 0.766 198 A CB 0.233 19.233 19.000 -0.001 0.000 1.003 198 A HN 0.562 nan 8.150 nan 0.000 0.497 199 V N 0.813 120.720 119.914 -0.011 0.000 3.158 199 V HA 0.517 4.612 4.120 -0.042 0.000 0.315 199 V C 0.365 176.438 176.094 -0.035 0.000 1.148 199 V CA -1.424 60.860 62.300 -0.027 0.000 1.042 199 V CB 1.579 33.391 31.823 -0.018 0.000 1.101 199 V HN 0.872 nan 8.190 nan 0.000 0.448 200 N N 1.735 120.400 118.700 -0.057 0.000 2.447 200 N HA 0.044 4.759 4.740 -0.042 0.000 0.263 200 N C 0.569 176.056 175.510 -0.038 0.000 1.226 200 N CA 0.063 53.064 53.050 -0.081 0.000 0.906 200 N CB 1.290 39.710 38.487 -0.111 0.000 1.060 200 N HN 0.736 nan 8.380 nan 0.000 0.468 201 Q N 3.102 122.884 119.800 -0.029 0.000 2.451 201 Q HA 0.051 4.366 4.340 -0.042 0.000 0.206 201 Q C 0.803 176.765 176.000 -0.064 0.000 0.947 201 Q CA 0.742 56.528 55.803 -0.027 0.000 0.937 201 Q CB 0.334 29.067 28.738 -0.009 0.000 1.025 201 Q HN 0.625 nan 8.270 nan 0.000 0.511 202 R N -1.568 118.875 120.500 -0.094 0.000 2.316 202 R HA 0.253 4.568 4.340 -0.042 0.000 0.201 202 R C -0.165 175.775 176.300 -0.601 0.000 0.888 202 R CA 0.210 56.114 56.100 -0.327 0.000 1.041 202 R CB 0.874 30.961 30.300 -0.355 0.000 1.115 202 R HN -0.031 nan 8.270 nan 0.000 0.559 203 F N 0.325 120.290 119.950 0.026 0.000 2.599 203 F HA 0.444 4.946 4.527 -0.041 0.000 0.311 203 F C -0.278 175.526 175.800 0.006 0.000 1.076 203 F CA -0.908 57.116 58.000 0.040 0.000 0.937 203 F CB 2.013 41.066 39.000 0.089 0.000 1.282 203 F HN -0.308 nan 8.300 nan 0.000 0.460 204 Q N 0.441 120.371 119.800 0.216 0.000 2.456 204 Q HA 0.307 4.622 4.340 -0.042 0.000 0.283 204 Q C -1.908 174.157 176.000 0.108 0.000 1.084 204 Q CA -1.075 54.795 55.803 0.111 0.000 0.801 204 Q CB 3.201 31.975 28.738 0.061 0.000 1.434 204 Q HN 0.527 nan 8.270 nan 0.000 0.419 205 D N 1.741 122.175 120.400 0.057 0.000 2.473 205 D HA 0.131 4.746 4.640 -0.042 0.000 0.226 205 D C -0.575 175.740 176.300 0.025 0.000 1.089 205 D CA -0.187 53.836 54.000 0.039 0.000 0.883 205 D CB 0.019 40.825 40.800 0.010 0.000 1.029 205 D HN 0.477 nan 8.370 nan 0.000 0.517 206 N N 3.460 122.179 118.700 0.033 0.000 2.714 206 N HA -0.205 4.510 4.740 -0.042 0.000 0.252 206 N C 1.067 176.586 175.510 0.016 0.000 1.014 206 N CA 1.372 54.434 53.050 0.021 0.000 0.735 206 N CB -1.130 37.362 38.487 0.008 0.000 0.924 206 N HN 0.858 nan 8.380 nan 0.000 0.540 207 G N -1.386 107.427 108.800 0.022 0.000 2.253 207 G HA2 -0.370 3.565 3.960 -0.042 0.000 0.251 207 G HA3 -0.370 3.565 3.960 -0.042 0.000 0.251 207 G C 0.278 175.184 174.900 0.010 0.000 0.998 207 G CA 0.650 45.759 45.100 0.015 0.000 0.621 207 G HN 0.576 nan 8.290 nan 0.000 0.524 208 R N 0.782 121.286 120.500 0.008 0.000 2.532 208 R HA 0.695 5.010 4.340 -0.042 0.000 0.272 208 R C 0.838 177.138 176.300 -0.001 0.000 1.032 208 R CA -0.060 56.040 56.100 -0.000 0.000 1.089 208 R CB 0.889 31.184 30.300 -0.008 0.000 1.098 208 R HN 0.507 nan 8.270 nan 0.000 0.526 209 A N 1.816 124.630 122.820 -0.010 0.000 2.425 209 A HA 0.308 4.603 4.320 -0.042 0.000 0.242 209 A C -0.684 176.873 177.584 -0.046 0.000 1.077 209 A CA 0.021 52.046 52.037 -0.020 0.000 0.781 209 A CB 0.283 19.271 19.000 -0.021 0.000 1.020 209 A HN 0.338 nan 8.150 nan 0.000 0.494 210 L N 0.460 121.647 121.223 -0.059 0.000 2.350 210 L HA 0.510 4.825 4.340 -0.042 0.000 0.260 210 L C -0.171 176.603 176.870 -0.162 0.000 1.015 210 L CA -0.498 54.267 54.840 -0.125 0.000 0.821 210 L CB 1.706 43.736 42.059 -0.048 0.000 1.370 210 L HN 0.702 nan 8.230 nan 0.000 0.416 211 L N 4.279 125.318 121.223 -0.306 0.000 2.461 211 L HA 0.246 4.561 4.340 -0.042 0.000 0.272 211 L C -1.823 175.004 176.870 -0.072 0.000 1.197 211 L CA -1.475 53.235 54.840 -0.217 0.000 0.836 211 L CB 0.315 42.155 42.059 -0.365 0.000 1.105 211 L HN 0.455 nan 8.230 nan 0.000 0.477 212 P HA 0.006 nan 4.420 nan 0.000 0.271 212 P C -0.883 176.463 177.300 0.076 0.000 1.233 212 P CA -0.038 63.042 63.100 -0.034 0.000 0.789 212 P CB 0.420 32.127 31.700 0.013 0.000 0.951 213 F N -0.016 120.036 119.950 0.170 0.000 2.377 213 F HA 0.303 4.805 4.527 -0.042 0.000 0.328 213 F C 1.233 177.069 175.800 0.060 0.000 1.094 213 F CA -0.152 57.903 58.000 0.091 0.000 1.093 213 F CB 0.156 39.178 39.000 0.037 0.000 1.214 213 F HN 0.223 nan 8.300 nan 0.000 0.518 214 D N 0.321 120.871 120.400 0.250 0.000 2.466 214 D HA 0.143 4.758 4.640 -0.042 0.000 0.262 214 D C -0.801 175.552 176.300 0.088 0.000 1.177 214 D CA -0.265 53.814 54.000 0.133 0.000 1.035 214 D CB 0.937 41.796 40.800 0.098 0.000 1.105 214 D HN 0.435 nan 8.370 nan 0.000 0.551 215 N N 1.066 119.796 118.700 0.051 0.000 2.844 215 N HA 0.224 4.939 4.740 -0.042 0.000 0.268 215 N C -1.385 174.134 175.510 0.015 0.000 1.574 215 N CA -0.311 52.754 53.050 0.025 0.000 0.838 215 N CB -0.283 38.219 38.487 0.023 0.000 1.177 215 N HN 0.253 nan 8.380 nan 0.000 0.495 216 L N 1.967 123.194 121.223 0.008 0.000 2.331 216 L HA 0.253 4.568 4.340 -0.042 0.000 0.278 216 L C 1.768 178.668 176.870 0.049 0.000 1.106 216 L CA -0.674 54.173 54.840 0.012 0.000 0.824 216 L CB 0.878 42.924 42.059 -0.021 0.000 1.142 216 L HN 0.475 nan 8.230 nan 0.000 0.443 217 H N 2.093 121.134 119.070 -0.048 0.000 2.387 217 H HA -0.056 4.476 4.556 -0.041 0.000 0.299 217 H C -0.129 175.163 175.328 -0.060 0.000 1.099 217 H CA 1.252 57.272 56.048 -0.047 0.000 1.315 217 H CB 0.362 30.101 29.762 -0.039 0.000 1.380 217 H HN 0.518 nan 8.280 nan 0.000 0.513 218 D N 1.228 121.618 120.400 -0.017 0.000 2.454 218 D HA 0.066 4.681 4.640 -0.042 0.000 0.247 218 D C -0.883 175.351 176.300 -0.111 0.000 1.129 218 D CA -0.315 53.614 54.000 -0.119 0.000 0.877 218 D CB 1.317 42.002 40.800 -0.191 0.000 1.082 218 D HN 0.337 nan 8.370 nan 0.000 0.537 219 D N 3.363 123.701 120.400 -0.103 0.000 2.317 219 D HA 0.123 4.738 4.640 -0.042 0.000 0.234 219 D C -1.507 174.680 176.300 -0.187 0.000 1.112 219 D CA -1.861 52.059 54.000 -0.134 0.000 0.840 219 D CB 2.458 43.196 40.800 -0.104 0.000 1.078 219 D HN 0.072 nan 8.370 nan 0.000 0.486 220 P HA -0.017 nan 4.420 nan 0.000 0.227 220 P C 1.449 178.610 177.300 -0.233 0.000 1.161 220 P CA 0.236 63.103 63.100 -0.388 0.000 0.788 220 P CB 0.246 31.430 31.700 -0.860 0.000 0.822 221 c N -0.571 117.948 118.600 -0.135 0.000 2.435 221 c HA -0.033 4.512 4.570 -0.042 0.000 0.279 221 c C 2.716 176.805 174.090 -0.001 0.000 1.321 221 c CA 0.272 56.603 56.329 0.004 0.000 1.752 221 c CB -1.975 40.532 42.510 -0.004 0.000 1.959 221 c HN 0.131 nan 8.230 nan 0.000 0.500 222 L N 0.685 121.862 121.223 -0.078 0.000 2.083 222 L HA -0.066 4.249 4.340 -0.042 0.000 0.209 222 L C 2.327 179.150 176.870 -0.079 0.000 1.083 222 L CA 1.695 56.479 54.840 -0.094 0.000 0.752 222 L CB -0.910 41.081 42.059 -0.113 0.000 0.899 222 L HN 0.341 nan 8.230 nan 0.000 0.433 223 L N -1.122 120.059 121.223 -0.069 0.000 2.362 223 L HA -0.151 4.164 4.340 -0.042 0.000 0.219 223 L C 2.266 179.125 176.870 -0.018 0.000 1.134 223 L CA 1.334 56.141 54.840 -0.055 0.000 0.807 223 L CB -1.104 40.918 42.059 -0.062 0.000 0.927 223 L HN 0.425 nan 8.230 nan 0.000 0.447 224 T N -3.855 110.725 114.554 0.043 0.000 3.055 224 T HA -0.070 4.255 4.350 -0.042 0.000 0.265 224 T C 0.919 175.619 174.700 0.000 0.000 1.111 224 T CA 0.458 62.635 62.100 0.128 0.000 1.118 224 T CB -0.074 68.985 68.868 0.319 0.000 0.909 224 T HN 0.235 nan 8.240 nan 0.000 0.501 225 N N 0.265 118.843 118.700 -0.203 0.000 2.969 225 N HA 0.223 4.938 4.740 -0.042 0.000 0.230 225 N C 0.336 175.638 175.510 -0.347 0.000 1.397 225 N CA -0.393 52.363 53.050 -0.490 0.000 0.762 225 N CB 0.948 38.648 38.487 -1.312 0.000 1.495 225 N HN 0.116 nan 8.380 nan 0.000 0.583 226 R N -0.059 120.307 120.500 -0.222 0.000 2.127 226 R HA -0.111 4.204 4.340 -0.042 0.000 0.238 226 R C 1.876 178.073 176.300 -0.172 0.000 1.134 226 R CA 2.124 58.126 56.100 -0.164 0.000 0.975 226 R CB 0.089 30.319 30.300 -0.117 0.000 0.865 226 R HN 0.583 nan 8.270 nan 0.000 0.447 227 S N 0.180 115.759 115.700 -0.202 0.000 2.406 227 S HA 0.005 4.450 4.470 -0.042 0.000 0.228 227 S C 2.159 176.657 174.600 -0.170 0.000 1.020 227 S CA 0.704 58.805 58.200 -0.164 0.000 0.965 227 S CB 0.060 63.166 63.200 -0.156 0.000 0.798 227 S HN 0.336 nan 8.310 nan 0.000 0.488 228 A N 1.815 124.482 122.820 -0.255 0.000 1.969 228 A HA 0.124 4.419 4.320 -0.042 0.000 0.218 228 A C 1.210 178.714 177.584 -0.134 0.000 1.169 228 A CA 0.634 52.550 52.037 -0.203 0.000 0.635 228 A CB -0.508 18.309 19.000 -0.305 0.000 0.810 228 A HN 0.336 nan 8.150 nan 0.000 0.445 229 R N -1.354 119.053 120.500 -0.155 0.000 3.322 229 R HA -0.150 4.165 4.340 -0.042 0.000 0.253 229 R C -0.800 175.395 176.300 -0.176 0.000 0.987 229 R CA 0.574 56.591 56.100 -0.138 0.000 0.666 229 R CB -2.164 28.076 30.300 -0.100 0.000 1.072 229 R HN 0.427 nan 8.270 nan 0.000 0.447 230 I N 2.444 122.901 120.570 -0.189 0.000 2.307 230 I HA 0.240 4.385 4.170 -0.042 0.000 0.289 230 I C -1.199 174.654 176.117 -0.440 0.000 1.021 230 I CA -2.514 58.583 61.300 -0.337 0.000 1.224 230 I CB 1.123 39.032 38.000 -0.151 0.000 1.376 230 I HN -0.079 nan 8.210 nan 0.000 0.470 231 P HA 0.113 nan 4.420 nan 0.000 0.282 231 P C -0.165 176.895 177.300 -0.401 0.000 1.286 231 P CA -0.370 62.440 63.100 -0.483 0.000 0.777 231 P CB 0.746 32.171 31.700 -0.459 0.000 1.184 232 c N -0.473 118.012 118.600 -0.192 0.000 2.605 232 c HA 0.339 4.884 4.570 -0.042 0.000 0.404 232 c C 0.948 175.043 174.090 0.009 0.000 1.284 232 c CA -0.094 56.182 56.329 -0.088 0.000 2.199 232 c CB -1.465 41.056 42.510 0.017 0.000 2.647 232 c HN 0.338 nan 8.230 nan 0.000 0.604 233 F N 1.649 121.716 119.950 0.195 0.000 2.403 233 F HA 0.466 4.968 4.527 -0.042 0.000 0.320 233 F C 0.328 176.168 175.800 0.066 0.000 1.176 233 F CA -0.411 57.681 58.000 0.153 0.000 1.206 233 F CB 0.350 39.378 39.000 0.047 0.000 1.235 233 F HN 0.293 nan 8.300 nan 0.000 0.565 234 L N 1.955 123.339 121.223 0.268 0.000 2.325 234 L HA 0.803 5.118 4.340 -0.042 0.000 0.281 234 L C -0.633 176.265 176.870 0.045 0.000 1.004 234 L CA -0.048 54.865 54.840 0.123 0.000 0.823 234 L CB 0.734 42.859 42.059 0.110 0.000 1.236 234 L HN 0.691 nan 8.230 nan 0.000 0.415 235 A N 3.008 125.824 122.820 -0.006 0.000 2.524 235 A HA 0.665 4.960 4.320 -0.042 0.000 0.289 235 A C 0.803 178.397 177.584 0.016 0.000 1.248 235 A CA -0.120 51.896 52.037 -0.035 0.000 0.712 235 A CB 0.495 19.376 19.000 -0.199 0.000 1.312 235 A HN 0.822 nan 8.150 nan 0.000 0.441 236 G N -0.923 107.910 108.800 0.056 0.000 2.470 236 G HA2 0.135 4.070 3.960 -0.042 0.000 0.220 236 G HA3 0.135 4.070 3.960 -0.042 0.000 0.220 236 G C 0.237 175.197 174.900 0.099 0.000 1.121 236 G CA 1.553 46.702 45.100 0.081 0.000 0.766 236 G HN 0.831 nan 8.290 nan 0.000 0.553 237 D N -1.929 118.541 120.400 0.116 0.000 2.350 237 D HA 0.394 5.010 4.640 -0.042 0.000 0.245 237 D C 1.657 177.989 176.300 0.054 0.000 1.036 237 D CA -0.015 54.051 54.000 0.110 0.000 0.848 237 D CB 1.485 42.393 40.800 0.180 0.000 1.307 237 D HN -0.049 nan 8.370 nan 0.000 0.469 238 T N 0.614 115.201 114.554 0.056 0.000 3.007 238 T HA -0.069 4.256 4.350 -0.042 0.000 0.270 238 T C 1.255 175.991 174.700 0.059 0.000 1.107 238 T CA 0.663 62.791 62.100 0.047 0.000 1.118 238 T CB -0.109 68.784 68.868 0.043 0.000 0.889 238 T HN 0.329 nan 8.240 nan 0.000 0.506 239 R N 1.691 122.229 120.500 0.064 0.000 2.391 239 R HA 0.308 4.624 4.340 -0.042 0.000 0.249 239 R C 2.331 178.641 176.300 0.017 0.000 0.957 239 R CA 0.418 56.560 56.100 0.070 0.000 1.093 239 R CB -0.263 30.089 30.300 0.087 0.000 1.156 239 R HN 0.588 nan 8.270 nan 0.000 0.526 240 S N -0.771 114.882 115.700 -0.080 0.000 2.400 240 S HA -0.159 4.286 4.470 -0.042 0.000 0.232 240 S C 1.531 176.116 174.600 -0.024 0.000 1.025 240 S CA 1.452 59.520 58.200 -0.219 0.000 0.993 240 S CB -0.129 62.793 63.200 -0.463 0.000 0.808 240 S HN 0.194 nan 8.310 nan 0.000 0.478 241 S N 1.119 116.865 115.700 0.078 0.000 2.605 241 S HA 0.192 4.637 4.470 -0.042 0.000 0.217 241 S C 1.418 175.961 174.600 -0.095 0.000 0.958 241 S CA -0.155 58.123 58.200 0.130 0.000 0.919 241 S CB -0.095 63.252 63.200 0.245 0.000 0.780 241 S HN 0.450 nan 8.310 nan 0.000 0.507 242 E N 1.993 122.031 120.200 -0.270 0.000 2.171 242 E HA -0.157 4.168 4.350 -0.042 0.000 0.197 242 E C 0.590 177.032 176.600 -0.263 0.000 0.997 242 E CA 0.964 56.986 56.400 -0.630 0.000 0.810 242 E CB 0.050 29.553 29.700 -0.328 0.000 0.738 242 E HN 0.694 nan 8.360 nan 0.000 0.467 243 M N -3.926 115.638 119.600 -0.061 0.000 2.365 243 M HA 0.347 4.802 4.480 -0.042 0.000 0.288 243 M C -2.691 173.611 176.300 0.002 0.000 1.152 243 M CA -1.644 53.664 55.300 0.015 0.000 0.948 243 M CB 2.227 34.882 32.600 0.091 0.000 1.729 243 M HN -0.406 nan 8.290 nan 0.000 0.487 244 P HA -0.102 nan 4.420 nan 0.000 0.219 244 P C 0.404 177.705 177.300 0.001 0.000 1.146 244 P CA 1.521 64.611 63.100 -0.016 0.000 0.808 244 P CB 0.203 31.859 31.700 -0.074 0.000 0.779 245 E N -1.030 119.178 120.200 0.014 0.000 2.150 245 E HA -0.124 4.201 4.350 -0.042 0.000 0.193 245 E C 1.740 178.369 176.600 0.049 0.000 0.985 245 E CA 0.630 57.051 56.400 0.035 0.000 0.814 245 E CB -0.868 28.866 29.700 0.057 0.000 0.752 245 E HN 0.171 nan 8.360 nan 0.000 0.466 246 L N 0.333 121.593 121.223 0.063 0.000 2.131 246 L HA -0.038 4.277 4.340 -0.042 0.000 0.206 246 L C 1.879 178.830 176.870 0.135 0.000 1.087 246 L CA 1.711 56.615 54.840 0.106 0.000 0.767 246 L CB -0.626 41.504 42.059 0.118 0.000 0.917 246 L HN 0.030 nan 8.230 nan 0.000 0.441 247 T N -0.918 113.677 114.554 0.069 0.000 2.746 247 T HA -0.139 4.186 4.350 -0.042 0.000 0.267 247 T C 1.983 176.664 174.700 -0.031 0.000 1.039 247 T CA 1.551 63.654 62.100 0.004 0.000 1.142 247 T CB -0.352 68.507 68.868 -0.016 0.000 0.866 247 T HN 0.373 nan 8.240 nan 0.000 0.444 248 S N 1.356 117.044 115.700 -0.021 0.000 2.365 248 S HA -0.096 4.349 4.470 -0.042 0.000 0.225 248 S C 2.121 176.710 174.600 -0.017 0.000 1.039 248 S CA 1.108 59.289 58.200 -0.032 0.000 1.033 248 S CB -0.328 62.865 63.200 -0.011 0.000 0.887 248 S HN 0.314 nan 8.310 nan 0.000 0.447 249 M N 0.685 120.290 119.600 0.008 0.000 2.159 249 M HA -0.051 4.404 4.480 -0.042 0.000 0.263 249 M C 1.916 178.188 176.300 -0.047 0.000 1.063 249 M CA 1.468 56.757 55.300 -0.017 0.000 1.110 249 M CB -1.575 31.012 32.600 -0.021 0.000 1.374 249 M HN 0.392 nan 8.290 nan 0.000 0.411 250 H N -0.315 118.715 119.070 -0.067 0.000 2.389 250 H HA -0.038 4.492 4.556 -0.042 0.000 0.299 250 H C 1.875 177.127 175.328 -0.126 0.000 1.081 250 H CA 1.894 57.887 56.048 -0.091 0.000 1.345 250 H CB 0.066 29.771 29.762 -0.094 0.000 1.393 250 H HN 0.334 nan 8.280 nan 0.000 0.520 251 T N 1.540 116.075 114.554 -0.032 0.000 2.737 251 T HA -0.124 4.201 4.350 -0.042 0.000 0.265 251 T C 2.203 176.863 174.700 -0.066 0.000 1.038 251 T CA 0.798 62.839 62.100 -0.099 0.000 1.144 251 T CB -0.459 68.316 68.868 -0.156 0.000 0.866 251 T HN 0.070 nan 8.240 nan 0.000 0.434 252 L N 1.069 122.261 121.223 -0.051 0.000 2.013 252 L HA -0.050 4.266 4.340 -0.042 0.000 0.212 252 L C 2.162 179.008 176.870 -0.040 0.000 1.073 252 L CA 1.698 56.514 54.840 -0.041 0.000 0.753 252 L CB -0.622 41.417 42.059 -0.034 0.000 0.890 252 L HN 0.266 nan 8.230 nan 0.000 0.432 253 L N -1.463 119.728 121.223 -0.052 0.000 2.217 253 L HA -0.163 4.152 4.340 -0.042 0.000 0.211 253 L C 2.407 179.251 176.870 -0.043 0.000 1.107 253 L CA 0.806 55.615 54.840 -0.053 0.000 0.783 253 L CB -0.520 41.484 42.059 -0.091 0.000 0.919 253 L HN 0.376 nan 8.230 nan 0.000 0.442 254 L N -0.102 121.088 121.223 -0.055 0.000 2.027 254 L HA -0.154 4.161 4.340 -0.042 0.000 0.206 254 L C 2.816 179.694 176.870 0.013 0.000 1.074 254 L CA 1.473 56.283 54.840 -0.049 0.000 0.745 254 L CB -0.247 41.771 42.059 -0.068 0.000 0.898 254 L HN 0.053 nan 8.230 nan 0.000 0.433 255 R N -0.449 120.048 120.500 -0.006 0.000 2.081 255 R HA -0.207 4.108 4.340 -0.042 0.000 0.235 255 R C 2.245 178.554 176.300 0.015 0.000 1.131 255 R CA 1.514 57.616 56.100 0.003 0.000 0.960 255 R CB -0.404 29.887 30.300 -0.016 0.000 0.856 255 R HN 0.382 nan 8.270 nan 0.000 0.436 256 E N 0.198 120.403 120.200 0.009 0.000 2.106 256 E HA -0.210 4.115 4.350 -0.042 0.000 0.192 256 E C 1.724 178.344 176.600 0.033 0.000 0.984 256 E CA 1.535 57.935 56.400 -0.000 0.000 0.806 256 E CB -0.137 29.554 29.700 -0.015 0.000 0.750 256 E HN 0.451 nan 8.360 nan 0.000 0.458 257 H N -0.363 118.701 119.070 -0.009 0.000 2.353 257 H HA -0.015 4.516 4.556 -0.041 0.000 0.300 257 H C 1.587 176.934 175.328 0.031 0.000 1.090 257 H CA 2.028 58.096 56.048 0.033 0.000 1.327 257 H CB 0.004 29.814 29.762 0.080 0.000 1.383 257 H HN 0.110 nan 8.280 nan 0.000 0.508 258 N N 0.234 119.040 118.700 0.176 0.000 2.244 258 N HA -0.122 4.594 4.740 -0.042 0.000 0.183 258 N C 1.957 177.475 175.510 0.013 0.000 1.016 258 N CA 0.794 53.912 53.050 0.114 0.000 0.866 258 N CB -0.312 38.244 38.487 0.114 0.000 0.980 258 N HN 0.393 nan 8.380 nan 0.000 0.430 259 R N 0.264 120.758 120.500 -0.010 0.000 2.081 259 R HA -0.050 4.265 4.340 -0.042 0.000 0.235 259 R C 1.628 177.885 176.300 -0.073 0.000 1.131 259 R CA 0.923 57.001 56.100 -0.036 0.000 0.960 259 R CB -0.250 30.026 30.300 -0.039 0.000 0.856 259 R HN 0.070 nan 8.270 nan 0.000 0.436 260 L N 0.686 121.843 121.223 -0.110 0.000 2.027 260 L HA -0.035 4.280 4.340 -0.042 0.000 0.206 260 L C 2.472 179.248 176.870 -0.157 0.000 1.074 260 L CA 2.048 56.788 54.840 -0.167 0.000 0.745 260 L CB -0.954 40.981 42.059 -0.207 0.000 0.898 260 L HN 0.241 nan 8.230 nan 0.000 0.433 261 A N -2.012 120.706 122.820 -0.169 0.000 1.972 261 A HA -0.188 4.107 4.320 -0.042 0.000 0.219 261 A C 2.301 179.870 177.584 -0.024 0.000 1.169 261 A CA 2.166 54.146 52.037 -0.095 0.000 0.635 261 A CB -0.874 18.083 19.000 -0.072 0.000 0.810 261 A HN 0.454 nan 8.150 nan 0.000 0.446 262 T N -0.477 114.059 114.554 -0.029 0.000 2.770 262 T HA -0.096 4.229 4.350 -0.042 0.000 0.263 262 T C 1.827 176.506 174.700 -0.036 0.000 1.039 262 T CA 1.585 63.675 62.100 -0.016 0.000 1.142 262 T CB -0.165 68.694 68.868 -0.014 0.000 0.868 262 T HN 0.645 nan 8.240 nan 0.000 0.435 263 E N 0.595 120.759 120.200 -0.060 0.000 2.077 263 E HA -0.028 4.297 4.350 -0.042 0.000 0.193 263 E C 2.137 178.686 176.600 -0.085 0.000 0.989 263 E CA 0.790 57.146 56.400 -0.074 0.000 0.800 263 E CB -0.213 29.430 29.700 -0.097 0.000 0.746 263 E HN 0.382 nan 8.360 nan 0.000 0.452 264 L N 0.629 121.802 121.223 -0.084 0.000 2.191 264 L HA -0.177 4.138 4.340 -0.042 0.000 0.212 264 L C 2.386 179.190 176.870 -0.110 0.000 1.103 264 L CA 0.840 55.627 54.840 -0.089 0.000 0.769 264 L CB -0.239 41.845 42.059 0.041 0.000 0.908 264 L HN 0.018 nan 8.230 nan 0.000 0.438 265 K N 0.154 120.533 120.400 -0.036 0.000 2.097 265 K HA -0.079 4.216 4.320 -0.042 0.000 0.205 265 K C 2.139 178.695 176.600 -0.074 0.000 1.050 265 K CA 1.454 57.727 56.287 -0.022 0.000 0.938 265 K CB -0.115 32.398 32.500 0.021 0.000 0.718 265 K HN 0.064 nan 8.250 nan 0.000 0.442 266 S N 0.567 116.224 115.700 -0.071 0.000 2.368 266 S HA -0.049 4.396 4.470 -0.042 0.000 0.225 266 S C 1.751 176.289 174.600 -0.103 0.000 1.030 266 S CA 1.290 59.447 58.200 -0.070 0.000 0.999 266 S CB -0.251 62.916 63.200 -0.055 0.000 0.844 266 S HN 0.246 nan 8.310 nan 0.000 0.459 267 L N 0.952 122.091 121.223 -0.141 0.000 2.240 267 L HA 0.077 4.392 4.340 -0.042 0.000 0.211 267 L C 0.214 176.917 176.870 -0.278 0.000 1.106 267 L CA 0.692 55.429 54.840 -0.171 0.000 0.793 267 L CB -0.163 41.800 42.059 -0.159 0.000 0.927 267 L HN 0.231 nan 8.230 nan 0.000 0.446 268 N N -0.505 117.950 118.700 -0.407 0.000 2.790 268 N HA 0.186 4.901 4.740 -0.042 0.000 0.256 268 N C -2.115 173.196 175.510 -0.332 0.000 1.409 268 N CA -0.933 51.761 53.050 -0.595 0.000 0.799 268 N CB 1.285 38.819 38.487 -1.590 0.000 1.170 268 N HN -0.106 nan 8.380 nan 0.000 0.507 269 P HA -0.052 nan 4.420 nan 0.000 0.221 269 P C 1.152 178.463 177.300 0.019 0.000 1.145 269 P CA 0.990 64.061 63.100 -0.048 0.000 0.795 269 P CB 0.410 32.088 31.700 -0.037 0.000 0.775 270 R N -2.624 117.897 120.500 0.036 0.000 2.310 270 R HA 0.032 4.347 4.340 -0.042 0.000 0.202 270 R C 0.056 176.526 176.300 0.283 0.000 0.933 270 R CA 0.097 56.275 56.100 0.130 0.000 1.054 270 R CB -0.130 30.241 30.300 0.118 0.000 0.985 270 R HN 0.258 nan 8.270 nan 0.000 0.489 271 W N 3.154 124.472 121.300 0.030 0.000 2.216 271 W HA 0.015 4.650 4.660 -0.042 0.000 0.326 271 W C 0.717 177.257 176.519 0.034 0.000 1.319 271 W CA -1.224 56.141 57.345 0.034 0.000 1.213 271 W CB 0.107 29.591 29.460 0.040 0.000 1.171 271 W HN 0.141 nan 8.180 nan 0.000 0.557 272 D N 0.151 120.659 120.400 0.179 0.000 2.447 272 D HA 0.258 4.873 4.640 -0.042 0.000 0.265 272 D C 1.508 177.875 176.300 0.111 0.000 1.250 272 D CA -0.214 53.855 54.000 0.114 0.000 1.046 272 D CB -0.300 40.537 40.800 0.061 0.000 1.095 272 D HN 0.410 nan 8.370 nan 0.000 0.555 273 G N -0.921 107.931 108.800 0.086 0.000 2.440 273 G HA2 -0.326 3.609 3.960 -0.042 0.000 0.218 273 G HA3 -0.326 3.609 3.960 -0.042 0.000 0.218 273 G C 1.377 176.342 174.900 0.109 0.000 1.154 273 G CA 1.106 46.263 45.100 0.096 0.000 0.767 273 G HN 0.579 nan 8.290 nan 0.000 0.552 274 E N 0.426 120.664 120.200 0.064 0.000 2.077 274 E HA -0.095 4.231 4.350 -0.042 0.000 0.193 274 E C 2.449 179.091 176.600 0.070 0.000 0.989 274 E CA 1.111 57.556 56.400 0.075 0.000 0.800 274 E CB -0.198 29.512 29.700 0.017 0.000 0.746 274 E HN 0.408 nan 8.360 nan 0.000 0.452 275 R N -0.589 119.892 120.500 -0.032 0.000 2.073 275 R HA -0.030 4.285 4.340 -0.042 0.000 0.229 275 R C 1.971 178.208 176.300 -0.106 0.000 1.120 275 R CA 0.967 56.947 56.100 -0.200 0.000 0.967 275 R CB -0.400 29.617 30.300 -0.472 0.000 0.862 275 R HN 0.185 nan 8.270 nan 0.000 0.436 276 L N 0.165 121.441 121.223 0.088 0.000 2.046 276 L HA -0.177 4.138 4.340 -0.042 0.000 0.208 276 L C 2.157 179.100 176.870 0.120 0.000 1.077 276 L CA 1.762 56.711 54.840 0.181 0.000 0.747 276 L CB -1.495 40.690 42.059 0.211 0.000 0.896 276 L HN 0.280 nan 8.230 nan 0.000 0.432 277 Y N 0.789 121.130 120.300 0.067 0.000 2.097 277 Y HA -0.276 4.249 4.550 -0.042 0.000 0.282 277 Y C 2.699 178.643 175.900 0.073 0.000 1.152 277 Y CA 1.743 59.937 58.100 0.156 0.000 1.136 277 Y CB -0.190 38.350 38.460 0.134 0.000 0.975 277 Y HN 0.198 nan 8.280 nan 0.000 0.498 278 Q N 0.502 120.225 119.800 -0.128 0.000 2.096 278 Q HA -0.183 4.132 4.340 -0.042 0.000 0.204 278 Q C 2.103 177.960 176.000 -0.238 0.000 0.982 278 Q CA 1.787 57.422 55.803 -0.281 0.000 0.850 278 Q CB -0.367 28.285 28.738 -0.143 0.000 0.901 278 Q HN 0.635 nan 8.270 nan 0.000 0.422 279 E N 0.369 120.486 120.200 -0.139 0.000 2.072 279 E HA -0.075 4.250 4.350 -0.042 0.000 0.191 279 E C 1.892 178.463 176.600 -0.049 0.000 0.985 279 E CA 1.044 57.426 56.400 -0.030 0.000 0.801 279 E CB -0.106 29.646 29.700 0.087 0.000 0.750 279 E HN 0.303 nan 8.360 nan 0.000 0.452 280 A N 1.628 124.361 122.820 -0.144 0.000 1.930 280 A HA -0.172 4.123 4.320 -0.042 0.000 0.217 280 A C 2.201 179.702 177.584 -0.138 0.000 1.175 280 A CA 1.513 53.406 52.037 -0.240 0.000 0.627 280 A CB -0.477 18.185 19.000 -0.563 0.000 0.815 280 A HN 0.137 nan 8.150 nan 0.000 0.443 281 R N 0.112 120.490 120.500 -0.203 0.000 2.091 281 R HA -0.181 4.134 4.340 -0.042 0.000 0.238 281 R C 2.168 178.337 176.300 -0.219 0.000 1.136 281 R CA 2.021 57.895 56.100 -0.376 0.000 0.959 281 R CB -0.284 29.369 30.300 -1.079 0.000 0.856 281 R HN 0.495 nan 8.270 nan 0.000 0.437 282 K N 0.247 120.556 120.400 -0.152 0.000 2.148 282 K HA -0.084 4.211 4.320 -0.042 0.000 0.204 282 K C 1.902 178.640 176.600 0.230 0.000 1.050 282 K CA 1.378 57.665 56.287 -0.000 0.000 0.942 282 K CB 0.004 32.483 32.500 -0.035 0.000 0.724 282 K HN 0.264 nan 8.250 nan 0.000 0.446 283 I N 0.048 120.717 120.570 0.165 0.000 2.406 283 I HA -0.191 3.954 4.170 -0.042 0.000 0.249 283 I C 2.002 178.133 176.117 0.023 0.000 1.122 283 I CA 0.423 61.789 61.300 0.110 0.000 1.431 283 I CB 0.068 38.002 38.000 -0.110 0.000 1.087 283 I HN -0.054 nan 8.210 nan 0.000 0.424 284 V N 1.073 121.015 119.914 0.047 0.000 2.343 284 V HA -0.210 3.886 4.120 -0.042 0.000 0.247 284 V C 2.592 178.738 176.094 0.087 0.000 1.051 284 V CA 2.216 64.565 62.300 0.082 0.000 1.036 284 V CB -1.346 30.610 31.823 0.222 0.000 0.654 284 V HN 0.565 nan 8.190 nan 0.000 0.451 285 G N -0.452 108.412 108.800 0.107 0.000 2.418 285 G HA2 -0.215 3.720 3.960 -0.042 0.000 0.217 285 G HA3 -0.215 3.720 3.960 -0.042 0.000 0.217 285 G C 1.758 176.692 174.900 0.056 0.000 1.158 285 G CA 1.059 46.220 45.100 0.101 0.000 0.771 285 G HN 0.608 nan 8.290 nan 0.000 0.545 286 A N 0.506 123.353 122.820 0.046 0.000 1.898 286 A HA 0.087 4.382 4.320 -0.042 0.000 0.216 286 A C 2.459 179.859 177.584 -0.307 0.000 1.181 286 A CA 1.688 53.657 52.037 -0.114 0.000 0.620 286 A CB -0.342 18.612 19.000 -0.077 0.000 0.819 286 A HN 0.376 nan 8.150 nan 0.000 0.442 287 M N -0.739 118.740 119.600 -0.203 0.000 2.108 287 M HA -0.145 4.310 4.480 -0.042 0.000 0.261 287 M C 2.086 178.315 176.300 -0.119 0.000 1.066 287 M CA 1.428 56.608 55.300 -0.200 0.000 1.107 287 M CB -0.419 32.106 32.600 -0.125 0.000 1.356 287 M HN 0.260 nan 8.290 nan 0.000 0.406 288 V N 0.184 120.078 119.914 -0.034 0.000 2.358 288 V HA -0.265 3.830 4.120 -0.042 0.000 0.246 288 V C 2.198 178.343 176.094 0.084 0.000 1.047 288 V CA 1.725 64.048 62.300 0.038 0.000 1.035 288 V CB -0.748 31.122 31.823 0.079 0.000 0.658 288 V HN 0.523 nan 8.190 nan 0.000 0.452 289 Q N -0.545 119.284 119.800 0.048 0.000 2.124 289 Q HA -0.143 4.172 4.340 -0.042 0.000 0.202 289 Q C 2.249 178.304 176.000 0.092 0.000 0.977 289 Q CA 1.677 57.564 55.803 0.140 0.000 0.850 289 Q CB -0.189 28.466 28.738 -0.139 0.000 0.901 289 Q HN 0.590 nan 8.270 nan 0.000 0.429 290 I N 0.256 120.683 120.570 -0.239 0.000 2.233 290 I HA -0.251 3.894 4.170 -0.042 0.000 0.243 290 I C 2.128 178.268 176.117 0.038 0.000 1.093 290 I CA 1.010 62.175 61.300 -0.225 0.000 1.380 290 I CB -0.165 37.494 38.000 -0.569 0.000 1.067 290 I HN 0.171 nan 8.210 nan 0.000 0.413 291 I N 0.269 120.866 120.570 0.046 0.000 2.286 291 I HA -0.250 3.895 4.170 -0.042 0.000 0.248 291 I C 2.504 178.783 176.117 0.271 0.000 1.115 291 I CA 1.369 62.762 61.300 0.156 0.000 1.392 291 I CB -0.544 37.535 38.000 0.131 0.000 1.065 291 I HN 0.242 nan 8.210 nan 0.000 0.418 292 T N -0.082 114.616 114.554 0.240 0.000 2.668 292 T HA -0.188 4.137 4.350 -0.042 0.000 0.262 292 T C 1.740 176.557 174.700 0.196 0.000 1.045 292 T CA 1.654 63.871 62.100 0.196 0.000 1.152 292 T CB -0.416 68.559 68.868 0.178 0.000 0.864 292 T HN 0.222 nan 8.240 nan 0.000 0.419 293 Y N 0.727 121.160 120.300 0.222 0.000 2.395 293 Y HA 0.160 4.686 4.550 -0.041 0.000 0.293 293 Y C 2.645 178.672 175.900 0.213 0.000 1.123 293 Y CA 0.513 58.752 58.100 0.231 0.000 1.227 293 Y CB -0.117 38.586 38.460 0.404 0.000 1.012 293 Y HN 0.015 nan 8.280 nan 0.000 0.552 294 R N 0.016 120.730 120.500 0.356 0.000 2.075 294 R HA -0.072 4.243 4.340 -0.042 0.000 0.220 294 R C 0.987 177.417 176.300 0.215 0.000 1.118 294 R CA 1.581 57.836 56.100 0.257 0.000 0.986 294 R CB 0.122 30.541 30.300 0.199 0.000 0.884 294 R HN 0.252 nan 8.270 nan 0.000 0.439 295 D N -1.064 119.494 120.400 0.264 0.000 2.394 295 D HA -0.084 4.531 4.640 -0.042 0.000 0.226 295 D C 1.378 177.954 176.300 0.461 0.000 0.990 295 D CA 0.578 54.779 54.000 0.336 0.000 0.902 295 D CB -0.179 40.822 40.800 0.336 0.000 1.038 295 D HN 0.158 nan 8.370 nan 0.000 0.499 296 Y N 2.104 122.533 120.300 0.216 0.000 2.138 296 Y HA 0.030 4.554 4.550 -0.042 0.000 0.286 296 Y C 2.305 178.116 175.900 -0.148 0.000 1.115 296 Y CA 1.052 59.059 58.100 -0.155 0.000 1.105 296 Y CB -0.536 37.701 38.460 -0.371 0.000 1.004 296 Y HN -0.229 nan 8.280 nan 0.000 0.494 297 L N 0.343 121.447 121.223 -0.198 0.000 2.081 297 L HA -0.209 4.106 4.340 -0.042 0.000 0.212 297 L C -0.592 176.143 176.870 -0.226 0.000 1.080 297 L CA 1.568 56.196 54.840 -0.354 0.000 0.754 297 L CB -1.833 40.002 42.059 -0.374 0.000 0.893 297 L HN 0.254 nan 8.230 nan 0.000 0.433 298 P HA -0.178 nan 4.420 nan 0.000 0.218 298 P C 1.776 179.032 177.300 -0.073 0.000 1.148 298 P CA 1.305 64.382 63.100 -0.038 0.000 0.822 298 P CB 0.065 31.783 31.700 0.030 0.000 0.784 299 L N -2.019 119.137 121.223 -0.112 0.000 2.418 299 L HA -0.028 4.287 4.340 -0.042 0.000 0.218 299 L C 2.055 178.809 176.870 -0.194 0.000 1.125 299 L CA 0.782 55.556 54.840 -0.109 0.000 0.835 299 L CB -0.511 41.517 42.059 -0.051 0.000 0.953 299 L HN -0.076 nan 8.230 nan 0.000 0.454 300 V N -0.464 119.251 119.914 -0.331 0.000 2.374 300 V HA -0.156 3.939 4.120 -0.042 0.000 0.241 300 V C 2.135 178.084 176.094 -0.241 0.000 1.034 300 V CA 0.980 63.066 62.300 -0.357 0.000 1.037 300 V CB -0.026 31.485 31.823 -0.520 0.000 0.682 300 V HN 0.209 nan 8.190 nan 0.000 0.463 301 L N 0.060 121.171 121.223 -0.187 0.000 2.270 301 L HA 0.393 4.708 4.340 -0.042 0.000 0.210 301 L C 1.189 178.029 176.870 -0.050 0.000 1.104 301 L CA 1.528 56.308 54.840 -0.100 0.000 0.804 301 L CB -1.308 40.724 42.059 -0.046 0.000 0.937 301 L HN 0.545 nan 8.230 nan 0.000 0.450 302 G N -0.864 107.907 108.800 -0.049 0.000 2.758 302 G HA2 -0.167 3.768 3.960 -0.042 0.000 0.686 302 G HA3 -0.167 3.768 3.960 -0.042 0.000 0.686 302 G C -1.950 172.952 174.900 0.003 0.000 1.389 302 G CA -0.259 44.829 45.100 -0.020 0.000 0.845 302 G HN 0.048 nan 8.290 nan 0.000 0.572 303 P HA -0.103 nan 4.420 nan 0.000 0.217 303 P C 1.980 179.292 177.300 0.019 0.000 1.151 303 P CA 2.774 65.885 63.100 0.017 0.000 0.828 303 P CB -0.180 31.529 31.700 0.015 0.000 0.788 304 T N -2.591 111.972 114.554 0.014 0.000 2.942 304 T HA 0.118 4.443 4.350 -0.042 0.000 0.265 304 T C 2.061 176.769 174.700 0.013 0.000 1.062 304 T CA 1.012 63.115 62.100 0.006 0.000 1.139 304 T CB -0.955 67.914 68.868 0.001 0.000 0.883 304 T HN -0.007 nan 8.240 nan 0.000 0.468 305 A N 1.016 123.870 122.820 0.058 0.000 2.016 305 A HA 0.271 4.566 4.320 -0.042 0.000 0.217 305 A C 2.289 179.974 177.584 0.169 0.000 1.162 305 A CA 1.373 53.500 52.037 0.150 0.000 0.662 305 A CB -0.695 18.435 19.000 0.216 0.000 0.812 305 A HN 0.466 nan 8.150 nan 0.000 0.450 306 M N 0.241 119.899 119.600 0.097 0.000 2.117 306 M HA -0.110 4.346 4.480 -0.042 0.000 0.262 306 M C 2.028 178.374 176.300 0.076 0.000 1.065 306 M CA 1.647 57.004 55.300 0.095 0.000 1.114 306 M CB -0.400 32.237 32.600 0.062 0.000 1.361 306 M HN 0.403 nan 8.290 nan 0.000 0.408 307 R N -0.604 119.916 120.500 0.033 0.000 2.075 307 R HA -0.140 4.175 4.340 -0.042 0.000 0.232 307 R C 2.368 178.641 176.300 -0.046 0.000 1.126 307 R CA 1.617 57.720 56.100 0.005 0.000 0.963 307 R CB -0.533 29.761 30.300 -0.010 0.000 0.858 307 R HN 0.411 nan 8.270 nan 0.000 0.435 308 K N 0.005 120.330 120.400 -0.124 0.000 2.062 308 K HA -0.131 4.164 4.320 -0.042 0.000 0.205 308 K C 1.214 177.580 176.600 -0.389 0.000 1.051 308 K CA 1.366 57.460 56.287 -0.322 0.000 0.941 308 K CB 0.109 32.282 32.500 -0.544 0.000 0.719 308 K HN 0.158 nan 8.250 nan 0.000 0.440 309 Y N -0.307 120.010 120.300 0.029 0.000 2.509 309 Y HA 0.220 4.745 4.550 -0.041 0.000 0.270 309 Y C 0.550 176.487 175.900 0.062 0.000 1.103 309 Y CA 0.158 58.283 58.100 0.043 0.000 1.278 309 Y CB 0.675 39.166 38.460 0.052 0.000 1.087 309 Y HN -0.114 nan 8.280 nan 0.000 0.542 310 L N 2.928 124.263 121.223 0.187 0.000 2.732 310 L HA 0.329 4.644 4.340 -0.042 0.000 0.246 310 L C -2.436 174.505 176.870 0.119 0.000 1.407 310 L CA -1.721 53.221 54.840 0.170 0.000 0.861 310 L CB 0.652 42.837 42.059 0.210 0.000 1.161 310 L HN -0.124 nan 8.230 nan 0.000 0.510 311 P HA 0.021 nan 4.420 nan 0.000 0.269 311 P C -0.026 177.320 177.300 0.078 0.000 1.215 311 P CA -0.060 63.073 63.100 0.054 0.000 0.780 311 P CB 0.439 32.150 31.700 0.018 0.000 0.898 312 T N 1.769 116.369 114.554 0.077 0.000 2.903 312 T HA -0.157 4.168 4.350 -0.042 0.000 0.299 312 T C 0.254 175.016 174.700 0.103 0.000 1.041 312 T CA 0.554 62.716 62.100 0.103 0.000 1.138 312 T CB -0.554 68.357 68.868 0.071 0.000 1.040 312 T HN 0.284 nan 8.240 nan 0.000 0.524 313 Y N 3.778 124.082 120.300 0.006 0.000 2.620 313 Y HA 0.094 4.619 4.550 -0.042 0.000 0.330 313 Y C 1.206 177.095 175.900 -0.019 0.000 1.186 313 Y CA -0.251 57.828 58.100 -0.034 0.000 1.467 313 Y CB 0.469 38.918 38.460 -0.018 0.000 1.262 313 Y HN 0.493 nan 8.280 nan 0.000 0.550 314 R N 2.419 122.511 120.500 -0.680 0.000 2.215 314 R HA 0.263 4.578 4.340 -0.042 0.000 0.190 314 R C -0.310 175.553 176.300 -0.729 0.000 0.968 314 R CA 0.964 56.759 56.100 -0.508 0.000 1.122 314 R CB -0.470 29.662 30.300 -0.281 0.000 1.151 314 R HN 0.719 nan 8.270 nan 0.000 0.582 315 S N -1.275 113.889 115.700 -0.894 0.000 2.627 315 S HA 0.232 4.677 4.470 -0.042 0.000 0.268 315 S C -1.401 173.089 174.600 -0.183 0.000 1.130 315 S CA -1.022 56.871 58.200 -0.510 0.000 0.819 315 S CB 0.846 63.919 63.200 -0.212 0.000 1.100 315 S HN 0.150 nan 8.310 nan 0.000 0.465 316 Y N 2.488 122.780 120.300 -0.014 0.000 2.425 316 Y HA 0.607 5.132 4.550 -0.042 0.000 0.331 316 Y C -0.138 175.762 175.900 -0.001 0.000 1.157 316 Y CA -0.180 57.963 58.100 0.071 0.000 1.372 316 Y CB 0.655 39.161 38.460 0.076 0.000 1.253 316 Y HN 0.857 nan 8.280 nan 0.000 0.536 317 N N 4.927 123.258 118.700 -0.615 0.000 2.491 317 N HA 0.095 4.810 4.740 -0.042 0.000 0.274 317 N C -0.165 174.884 175.510 -0.768 0.000 1.023 317 N CA -0.520 52.199 53.050 -0.552 0.000 0.902 317 N CB 0.803 39.144 38.487 -0.244 0.000 1.267 317 N HN 0.860 nan 8.380 nan 0.000 0.503 318 D N 1.438 121.375 120.400 -0.772 0.000 2.371 318 D HA -0.016 4.599 4.640 -0.042 0.000 0.221 318 D C -0.053 176.155 176.300 -0.154 0.000 0.986 318 D CA 0.503 54.246 54.000 -0.428 0.000 0.899 318 D CB 0.201 40.890 40.800 -0.184 0.000 0.902 318 D HN 0.226 nan 8.370 nan 0.000 0.530 319 S N -0.415 115.198 115.700 -0.146 0.000 2.577 319 S HA 0.164 4.609 4.470 -0.042 0.000 0.219 319 S C 0.385 174.961 174.600 -0.040 0.000 0.962 319 S CA -0.491 57.670 58.200 -0.065 0.000 0.921 319 S CB 0.749 63.911 63.200 -0.063 0.000 0.789 319 S HN 0.103 nan 8.310 nan 0.000 0.497 320 V N 3.045 122.931 119.914 -0.047 0.000 2.383 320 V HA 0.235 4.330 4.120 -0.042 0.000 0.275 320 V C -0.104 176.012 176.094 0.037 0.000 1.036 320 V CA -0.901 61.396 62.300 -0.006 0.000 0.889 320 V CB 1.354 33.172 31.823 -0.008 0.000 0.985 320 V HN 0.189 nan 8.190 nan 0.000 0.459 321 D N 8.113 128.533 120.400 0.033 0.000 2.339 321 D HA 0.210 4.825 4.640 -0.042 0.000 0.256 321 D C -1.452 174.857 176.300 0.015 0.000 1.214 321 D CA -1.753 52.267 54.000 0.034 0.000 0.877 321 D CB 1.886 42.699 40.800 0.023 0.000 1.111 321 D HN 0.309 nan 8.370 nan 0.000 0.478 322 P HA 0.114 nan 4.420 nan 0.000 0.267 322 P C 0.132 177.303 177.300 -0.215 0.000 1.289 322 P CA -0.183 62.878 63.100 -0.066 0.000 0.866 322 P CB 0.565 32.293 31.700 0.047 0.000 1.309 323 R N 0.364 120.772 120.500 -0.153 0.000 2.734 323 R HA 0.208 4.523 4.340 -0.042 0.000 0.266 323 R C 0.642 176.834 176.300 -0.181 0.000 1.044 323 R CA -0.448 55.553 56.100 -0.166 0.000 1.128 323 R CB 0.374 30.623 30.300 -0.084 0.000 1.010 323 R HN 0.035 nan 8.270 nan 0.000 0.461 324 I N 2.147 122.609 120.570 -0.179 0.000 2.496 324 I HA 0.077 4.222 4.170 -0.042 0.000 0.285 324 I C 0.815 176.889 176.117 -0.071 0.000 1.080 324 I CA -0.047 61.144 61.300 -0.183 0.000 1.404 324 I CB 0.708 38.645 38.000 -0.105 0.000 1.403 324 I HN 0.668 nan 8.210 nan 0.000 0.539 325 A N 5.785 128.570 122.820 -0.058 0.000 2.340 325 A HA 0.176 4.471 4.320 -0.042 0.000 0.268 325 A C 1.345 178.967 177.584 0.063 0.000 1.100 325 A CA -0.396 51.644 52.037 0.006 0.000 0.803 325 A CB 0.190 19.186 19.000 -0.006 0.000 1.043 325 A HN 0.798 nan 8.150 nan 0.000 0.488 326 N N 1.157 119.902 118.700 0.074 0.000 2.094 326 N HA -0.166 4.549 4.740 -0.042 0.000 0.191 326 N C 1.632 177.199 175.510 0.095 0.000 1.023 326 N CA 1.883 55.007 53.050 0.124 0.000 0.857 326 N CB -0.185 38.386 38.487 0.140 0.000 1.013 326 N HN 0.494 nan 8.380 nan 0.000 0.426 327 V N 0.552 120.452 119.914 -0.022 0.000 2.594 327 V HA -0.177 3.918 4.120 -0.042 0.000 0.253 327 V C 1.978 177.977 176.094 -0.159 0.000 1.069 327 V CA 1.333 63.496 62.300 -0.228 0.000 1.082 327 V CB -0.747 30.585 31.823 -0.818 0.000 0.680 327 V HN 0.292 nan 8.190 nan 0.000 0.469 328 F N 1.746 121.596 119.950 -0.166 0.000 2.186 328 F HA -0.142 4.361 4.527 -0.040 0.000 0.299 328 F C 2.601 178.401 175.800 -0.001 0.000 1.090 328 F CA 2.081 60.018 58.000 -0.105 0.000 1.307 328 F CB -0.643 38.266 39.000 -0.153 0.000 1.019 328 F HN 0.386 nan 8.300 nan 0.000 0.489 329 T N -2.128 112.440 114.554 0.023 0.000 2.849 329 T HA -0.226 4.099 4.350 -0.042 0.000 0.270 329 T C 1.931 176.582 174.700 -0.081 0.000 1.066 329 T CA 1.721 63.820 62.100 -0.001 0.000 1.130 329 T CB -0.655 68.273 68.868 0.101 0.000 0.864 329 T HN 0.451 nan 8.240 nan 0.000 0.481 330 N N 0.733 119.377 118.700 -0.093 0.000 2.436 330 N HA 0.181 4.896 4.740 -0.042 0.000 0.178 330 N C 2.258 177.769 175.510 0.001 0.000 1.026 330 N CA 0.824 53.838 53.050 -0.060 0.000 0.880 330 N CB -0.067 38.392 38.487 -0.048 0.000 1.061 330 N HN 0.490 nan 8.380 nan 0.000 0.434 331 A N 0.377 123.146 122.820 -0.085 0.000 1.969 331 A HA -0.097 4.198 4.320 -0.042 0.000 0.218 331 A C 1.633 179.223 177.584 0.010 0.000 1.169 331 A CA 0.747 52.755 52.037 -0.048 0.000 0.635 331 A CB -0.743 18.175 19.000 -0.137 0.000 0.810 331 A HN 0.367 nan 8.150 nan 0.000 0.445 332 F N 0.676 120.381 119.950 -0.410 0.000 2.802 332 F HA 0.098 4.600 4.527 -0.042 0.000 0.300 332 F C 1.837 177.556 175.800 -0.134 0.000 1.168 332 F CA 0.196 58.012 58.000 -0.307 0.000 1.433 332 F CB -0.177 38.304 39.000 -0.865 0.000 1.115 332 F HN 0.143 nan 8.300 nan 0.000 0.582 333 R N -0.647 119.767 120.500 -0.143 0.000 2.328 333 R HA -0.135 4.180 4.340 -0.042 0.000 0.200 333 R C 1.716 177.881 176.300 -0.226 0.000 0.983 333 R CA 0.608 56.453 56.100 -0.424 0.000 1.062 333 R CB -0.711 29.366 30.300 -0.372 0.000 0.956 333 R HN 0.556 nan 8.270 nan 0.000 0.479 334 Y N -1.170 119.063 120.300 -0.111 0.000 2.315 334 Y HA -0.040 4.484 4.550 -0.043 0.000 0.288 334 Y C 1.980 177.808 175.900 -0.120 0.000 1.154 334 Y CA 0.931 58.965 58.100 -0.109 0.000 1.229 334 Y CB -0.925 37.425 38.460 -0.184 0.000 0.980 334 Y HN -0.081 nan 8.280 nan 0.000 0.540 335 G N -0.153 107.822 108.800 -1.374 0.000 2.479 335 G HA2 -0.276 3.659 3.960 -0.042 0.000 0.220 335 G HA3 -0.276 3.659 3.960 -0.042 0.000 0.220 335 G C 1.087 175.768 174.900 -0.365 0.000 1.115 335 G CA 1.030 45.493 45.100 -1.061 0.000 0.757 335 G HN 0.732 nan 8.290 nan 0.000 0.560 336 H N -0.027 118.948 119.070 -0.158 0.000 2.521 336 H HA -0.045 4.485 4.556 -0.044 0.000 0.286 336 H C 2.720 178.066 175.328 0.031 0.000 1.034 336 H CA 1.126 57.156 56.048 -0.031 0.000 1.278 336 H CB 0.255 30.029 29.762 0.019 0.000 1.386 336 H HN 0.493 nan 8.280 nan 0.000 0.567 337 T N -1.276 113.352 114.554 0.124 0.000 3.113 337 T HA 0.034 4.359 4.350 -0.042 0.000 0.256 337 T C 1.560 176.285 174.700 0.042 0.000 1.131 337 T CA 0.247 62.405 62.100 0.096 0.000 1.074 337 T CB -0.121 68.778 68.868 0.051 0.000 0.944 337 T HN 0.282 nan 8.240 nan 0.000 0.516 338 L N -0.048 121.174 121.223 -0.002 0.000 2.529 338 L HA 0.445 4.760 4.340 -0.042 0.000 0.223 338 L C 0.863 177.759 176.870 0.044 0.000 1.113 338 L CA -0.197 54.649 54.840 0.009 0.000 0.861 338 L CB -0.279 41.758 42.059 -0.036 0.000 1.012 338 L HN 0.224 nan 8.230 nan 0.000 0.461 339 I N 1.276 121.877 120.570 0.052 0.000 2.668 339 I HA -0.057 4.088 4.170 -0.042 0.000 0.285 339 I C 0.598 176.760 176.117 0.075 0.000 1.168 339 I CA 0.379 61.720 61.300 0.068 0.000 1.424 339 I CB 0.295 38.332 38.000 0.063 0.000 1.377 339 I HN 0.227 nan 8.210 nan 0.000 0.560 340 Q N 8.723 128.591 119.800 0.114 0.000 2.260 340 Q HA 0.243 4.558 4.340 -0.042 0.000 0.238 340 Q C -1.567 174.451 176.000 0.030 0.000 0.948 340 Q CA -1.517 54.379 55.803 0.155 0.000 0.895 340 Q CB 1.248 30.199 28.738 0.355 0.000 1.218 340 Q HN 0.413 nan 8.270 nan 0.000 0.470 341 P HA 0.058 nan 4.420 nan 0.000 0.245 341 P C -0.516 176.328 177.300 -0.759 0.000 1.212 341 P CA 0.718 63.553 63.100 -0.443 0.000 0.774 341 P CB 0.298 31.659 31.700 -0.566 0.000 0.999 342 F N -0.594 119.228 119.950 -0.213 0.000 2.611 342 F HA 0.524 5.028 4.527 -0.040 0.000 0.324 342 F C 0.539 176.037 175.800 -0.504 0.000 1.061 342 F CA -1.464 56.248 58.000 -0.480 0.000 0.954 342 F CB 1.486 39.930 39.000 -0.927 0.000 1.301 342 F HN -0.361 nan 8.300 nan 0.000 0.482 343 M N 2.685 122.153 119.600 -0.219 0.000 2.101 343 M HA 0.529 4.984 4.480 -0.042 0.000 0.340 343 M C -1.937 174.247 176.300 -0.195 0.000 1.057 343 M CA -0.296 54.933 55.300 -0.117 0.000 0.984 343 M CB 0.540 33.079 32.600 -0.103 0.000 1.560 343 M HN 0.475 nan 8.290 nan 0.000 0.435 344 F N 3.844 123.820 119.950 0.042 0.000 2.399 344 F HA 0.577 5.079 4.527 -0.042 0.000 0.334 344 F C 0.011 175.799 175.800 -0.019 0.000 1.097 344 F CA -0.431 57.574 58.000 0.008 0.000 1.076 344 F CB 1.227 40.243 39.000 0.025 0.000 1.162 344 F HN 0.494 nan 8.300 nan 0.000 0.495 345 R N 2.828 123.403 120.500 0.126 0.000 2.538 345 R HA 0.609 4.924 4.340 -0.042 0.000 0.292 345 R C -1.693 174.602 176.300 -0.008 0.000 1.008 345 R CA -0.767 55.353 56.100 0.032 0.000 0.896 345 R CB 1.678 31.967 30.300 -0.018 0.000 1.187 345 R HN 0.352 nan 8.270 nan 0.000 0.440 346 L N 2.295 123.477 121.223 -0.068 0.000 2.319 346 L HA 0.424 4.739 4.340 -0.042 0.000 0.267 346 L C 0.144 176.871 176.870 -0.237 0.000 1.011 346 L CA -0.810 53.941 54.840 -0.148 0.000 0.818 346 L CB 1.341 43.290 42.059 -0.184 0.000 1.316 346 L HN 0.676 nan 8.230 nan 0.000 0.432 347 D N 0.161 120.416 120.400 -0.241 0.000 2.478 347 D HA 0.059 4.674 4.640 -0.042 0.000 0.269 347 D C 0.830 176.914 176.300 -0.360 0.000 1.232 347 D CA -0.305 53.555 54.000 -0.233 0.000 1.059 347 D CB 0.227 40.938 40.800 -0.148 0.000 1.104 347 D HN 0.489 nan 8.370 nan 0.000 0.566 348 N N 0.151 118.694 118.700 -0.262 0.000 2.258 348 N HA -0.250 4.465 4.740 -0.042 0.000 0.187 348 N C 1.014 176.376 175.510 -0.246 0.000 1.012 348 N CA 1.226 54.122 53.050 -0.255 0.000 0.870 348 N CB -0.498 37.915 38.487 -0.123 0.000 0.977 348 N HN 0.423 nan 8.380 nan 0.000 0.434 349 R N -1.343 119.038 120.500 -0.199 0.000 2.356 349 R HA 0.105 4.420 4.340 -0.042 0.000 0.234 349 R C -0.377 175.771 176.300 -0.254 0.000 0.929 349 R CA -0.260 55.760 56.100 -0.133 0.000 1.084 349 R CB -0.483 29.781 30.300 -0.061 0.000 1.105 349 R HN 0.133 nan 8.270 nan 0.000 0.515 350 Y N 0.332 120.333 120.300 -0.497 0.000 3.491 350 Y HA -0.297 4.228 4.550 -0.042 0.000 0.215 350 Y C 0.026 175.705 175.900 -0.369 0.000 1.219 350 Y CA 0.508 58.247 58.100 -0.602 0.000 1.485 350 Y CB -1.312 36.351 38.460 -1.327 0.000 1.450 350 Y HN 0.202 nan 8.280 nan 0.000 0.603 351 Q N -0.320 119.390 119.800 -0.150 0.000 2.248 351 Q HA 0.488 4.803 4.340 -0.042 0.000 0.263 351 Q C -2.299 173.656 176.000 -0.075 0.000 1.007 351 Q CA -2.409 53.346 55.803 -0.080 0.000 0.877 351 Q CB 1.047 29.748 28.738 -0.061 0.000 1.315 351 Q HN -0.065 nan 8.270 nan 0.000 0.454 352 P HA 0.060 nan 4.420 nan 0.000 0.264 352 P C -0.479 176.794 177.300 -0.045 0.000 1.193 352 P CA 0.394 63.476 63.100 -0.030 0.000 0.763 352 P CB 0.372 32.062 31.700 -0.017 0.000 0.810 353 M N 3.443 123.014 119.600 -0.049 0.000 2.146 353 M HA 0.119 4.574 4.480 -0.042 0.000 0.357 353 M C 0.345 176.622 176.300 -0.040 0.000 1.261 353 M CA -0.150 55.119 55.300 -0.053 0.000 1.106 353 M CB 0.518 33.081 32.600 -0.062 0.000 1.612 353 M HN 0.251 nan 8.290 nan 0.000 0.470 354 E N 5.327 125.507 120.200 -0.034 0.000 2.283 354 E HA 0.496 4.821 4.350 -0.042 0.000 0.271 354 E C -2.014 174.575 176.600 -0.017 0.000 1.031 354 E CA -1.382 55.003 56.400 -0.025 0.000 0.868 354 E CB 0.436 30.123 29.700 -0.021 0.000 1.094 354 E HN 0.546 nan 8.360 nan 0.000 0.401 355 P HA 0.325 nan 4.420 nan 0.000 0.302 355 P C -0.659 176.630 177.300 -0.017 0.000 1.307 355 P CA -0.478 62.615 63.100 -0.013 0.000 0.754 355 P CB 0.469 32.166 31.700 -0.003 0.000 1.298 356 N N -2.207 116.480 118.700 -0.022 0.000 2.780 356 N HA -0.091 4.624 4.740 -0.042 0.000 0.248 356 N C -1.672 173.805 175.510 -0.055 0.000 1.102 356 N CA 0.807 53.837 53.050 -0.032 0.000 0.697 356 N CB -2.088 36.390 38.487 -0.015 0.000 1.028 356 N HN 0.465 nan 8.380 nan 0.000 0.554 357 P HA -0.075 nan 4.420 nan 0.000 0.233 357 P C 0.038 177.279 177.300 -0.098 0.000 1.167 357 P CA 0.981 64.047 63.100 -0.058 0.000 0.770 357 P CB 0.504 32.180 31.700 -0.040 0.000 0.837 358 R N 0.321 120.711 120.500 -0.183 0.000 2.507 358 R HA 0.435 4.750 4.340 -0.042 0.000 0.298 358 R C -1.505 174.671 176.300 -0.206 0.000 1.087 358 R CA -0.528 55.350 56.100 -0.370 0.000 0.917 358 R CB 1.897 31.826 30.300 -0.619 0.000 1.173 358 R HN -0.147 nan 8.270 nan 0.000 0.472 359 V N 4.057 123.913 119.914 -0.098 0.000 2.555 359 V HA 0.703 4.799 4.120 -0.042 0.000 0.302 359 V C -2.609 173.527 176.094 0.070 0.000 1.038 359 V CA -2.747 59.553 62.300 -0.001 0.000 0.887 359 V CB 2.046 33.835 31.823 -0.056 0.000 0.991 359 V HN 0.565 nan 8.190 nan 0.000 0.434 360 P HA 0.173 nan 4.420 nan 0.000 0.265 360 P C 1.095 178.250 177.300 -0.242 0.000 1.193 360 P CA 0.090 63.119 63.100 -0.117 0.000 0.765 360 P CB 0.569 32.218 31.700 -0.085 0.000 0.823 361 L N 2.011 123.011 121.223 -0.372 0.000 2.127 361 L HA -0.204 4.111 4.340 -0.042 0.000 0.211 361 L C 2.019 178.368 176.870 -0.868 0.000 1.089 361 L CA 2.176 56.665 54.840 -0.585 0.000 0.757 361 L CB -0.930 40.815 42.059 -0.523 0.000 0.899 361 L HN 0.462 nan 8.230 nan 0.000 0.434 362 S N -0.926 114.521 115.700 -0.421 0.000 2.537 362 S HA -0.086 4.359 4.470 -0.042 0.000 0.240 362 S C 1.683 176.239 174.600 -0.073 0.000 0.981 362 S CA 0.529 58.648 58.200 -0.134 0.000 0.948 362 S CB -0.166 63.059 63.200 0.041 0.000 0.759 362 S HN 0.357 nan 8.310 nan 0.000 0.531 363 R N 0.859 121.264 120.500 -0.157 0.000 2.397 363 R HA 0.293 4.608 4.340 -0.042 0.000 0.241 363 R C 1.461 177.716 176.300 -0.075 0.000 0.914 363 R CA 0.618 56.698 56.100 -0.032 0.000 1.071 363 R CB 0.238 30.541 30.300 0.005 0.000 1.116 363 R HN 0.570 nan 8.270 nan 0.000 0.524 364 V N -3.465 116.290 119.914 -0.266 0.000 3.556 364 V HA 0.374 4.469 4.120 -0.042 0.000 0.287 364 V C 0.403 176.408 176.094 -0.150 0.000 1.422 364 V CA -0.343 61.817 62.300 -0.234 0.000 1.038 364 V CB -0.356 31.299 31.823 -0.280 0.000 0.850 364 V HN -0.223 nan 8.190 nan 0.000 0.437 365 F N 1.451 121.425 119.950 0.040 0.000 2.572 365 F HA 0.509 5.012 4.527 -0.040 0.000 0.370 365 F C 0.972 176.791 175.800 0.032 0.000 1.103 365 F CA -0.474 57.515 58.000 -0.019 0.000 1.286 365 F CB -0.646 38.486 39.000 0.220 0.000 1.105 365 F HN 0.104 nan 8.300 nan 0.000 0.583 366 F N -0.300 119.736 119.950 0.143 0.000 3.079 366 F HA -0.311 4.190 4.527 -0.043 0.000 0.285 366 F C 1.163 176.989 175.800 0.043 0.000 0.819 366 F CA 0.410 58.429 58.000 0.031 0.000 1.067 366 F CB -1.887 37.081 39.000 -0.052 0.000 1.263 366 F HN 0.516 nan 8.300 nan 0.000 0.458 367 A N 0.341 123.239 122.820 0.130 0.000 3.091 367 A HA 0.469 4.764 4.320 -0.042 0.000 0.264 367 A C 1.506 178.988 177.584 -0.170 0.000 1.673 367 A CA 0.353 52.384 52.037 -0.010 0.000 1.362 367 A CB -0.519 18.369 19.000 -0.187 0.000 1.137 367 A HN 0.464 nan 8.150 nan 0.000 0.617 368 S N 1.063 116.760 115.700 -0.005 0.000 2.400 368 S HA -0.216 4.229 4.470 -0.042 0.000 0.232 368 S C 1.759 176.332 174.600 -0.045 0.000 1.025 368 S CA 1.151 59.341 58.200 -0.016 0.000 0.993 368 S CB -0.785 62.225 63.200 -0.316 0.000 0.808 368 S HN 1.018 nan 8.310 nan 0.000 0.478 369 W N 2.816 124.075 121.300 -0.068 0.000 2.387 369 W HA -0.046 4.589 4.660 -0.042 0.000 0.272 369 W C 1.541 178.041 176.519 -0.032 0.000 1.224 369 W CA 0.792 58.088 57.345 -0.082 0.000 1.210 369 W CB -0.772 28.633 29.460 -0.092 0.000 1.125 369 W HN 0.314 nan 8.180 nan 0.000 0.572 370 R N 0.725 120.685 120.500 -0.899 0.000 2.153 370 R HA -0.026 4.289 4.340 -0.042 0.000 0.218 370 R C 2.346 178.479 176.300 -0.278 0.000 1.072 370 R CA 1.277 56.917 56.100 -0.768 0.000 0.990 370 R CB -0.516 29.269 30.300 -0.857 0.000 0.889 370 R HN 0.110 nan 8.270 nan 0.000 0.452 371 V N 0.509 120.343 119.914 -0.133 0.000 2.323 371 V HA -0.178 3.917 4.120 -0.042 0.000 0.244 371 V C 2.292 178.394 176.094 0.013 0.000 1.041 371 V CA 1.455 63.748 62.300 -0.011 0.000 1.025 371 V CB -0.196 31.700 31.823 0.122 0.000 0.656 371 V HN 0.076 nan 8.190 nan 0.000 0.451 372 V N -0.164 119.772 119.914 0.037 0.000 2.307 372 V HA -0.152 3.943 4.120 -0.042 0.000 0.245 372 V C 1.949 178.010 176.094 -0.056 0.000 1.045 372 V CA 1.835 64.102 62.300 -0.056 0.000 1.024 372 V CB -0.396 31.304 31.823 -0.206 0.000 0.651 372 V HN 0.445 nan 8.190 nan 0.000 0.449 373 L N -0.832 120.396 121.223 0.009 0.000 2.640 373 L HA 0.260 4.575 4.340 -0.042 0.000 0.230 373 L C 1.055 177.967 176.870 0.070 0.000 1.123 373 L CA 0.357 55.242 54.840 0.075 0.000 0.900 373 L CB 0.055 42.222 42.059 0.180 0.000 1.146 373 L HN 0.312 nan 8.230 nan 0.000 0.484 374 E N 0.604 120.804 120.200 0.000 0.000 2.815 374 E HA 0.289 4.614 4.350 -0.042 0.000 0.211 374 E C 0.817 177.399 176.600 -0.030 0.000 1.004 374 E CA 0.248 56.639 56.400 -0.016 0.000 1.173 374 E CB 0.884 30.534 29.700 -0.084 0.000 1.163 374 E HN 0.386 nan 8.360 nan 0.000 0.449 375 G N 0.411 109.203 108.800 -0.013 0.000 2.192 375 G HA2 -0.177 3.758 3.960 -0.042 0.000 0.193 375 G HA3 -0.177 3.758 3.960 -0.042 0.000 0.193 375 G C 0.681 175.567 174.900 -0.023 0.000 0.999 375 G CA -0.250 44.838 45.100 -0.020 0.000 0.659 375 G HN 0.766 nan 8.290 nan 0.000 0.503 376 G N -0.033 108.755 108.800 -0.020 0.000 2.598 376 G HA2 -0.059 3.876 3.960 -0.042 0.000 0.244 376 G HA3 -0.059 3.876 3.960 -0.042 0.000 0.244 376 G C 1.077 175.955 174.900 -0.038 0.000 1.302 376 G CA 1.026 46.114 45.100 -0.021 0.000 0.903 376 G HN 1.771 nan 8.290 nan 0.000 0.575 377 I N -2.503 118.043 120.570 -0.040 0.000 3.427 377 I HA 0.261 4.406 4.170 -0.042 0.000 0.288 377 I C 1.599 177.693 176.117 -0.038 0.000 1.249 377 I CA 1.503 62.777 61.300 -0.043 0.000 1.421 377 I CB -0.124 37.847 38.000 -0.049 0.000 1.086 377 I HN 0.278 nan 8.210 nan 0.000 0.448 378 D N 2.946 123.320 120.400 -0.043 0.000 2.097 378 D HA -0.088 4.527 4.640 -0.042 0.000 0.195 378 D C -0.442 175.813 176.300 -0.075 0.000 0.989 378 D CA 1.582 55.549 54.000 -0.055 0.000 0.827 378 D CB -1.655 39.106 40.800 -0.064 0.000 0.966 378 D HN 0.359 nan 8.370 nan 0.000 0.456 379 P HA -0.036 nan 4.420 nan 0.000 0.218 379 P C 1.530 178.802 177.300 -0.047 0.000 1.149 379 P CA 0.787 63.832 63.100 -0.091 0.000 0.817 379 P CB 0.057 31.710 31.700 -0.078 0.000 0.785 380 I N -1.383 119.171 120.570 -0.027 0.000 2.233 380 I HA -0.179 3.966 4.170 -0.042 0.000 0.243 380 I C 2.285 178.419 176.117 0.029 0.000 1.093 380 I CA 1.167 62.470 61.300 0.006 0.000 1.380 380 I CB -0.655 37.340 38.000 -0.008 0.000 1.067 380 I HN -0.137 nan 8.210 nan 0.000 0.413 381 L N 0.286 121.519 121.223 0.016 0.000 2.083 381 L HA -0.187 4.128 4.340 -0.042 0.000 0.209 381 L C 2.761 179.680 176.870 0.082 0.000 1.083 381 L CA 1.353 56.220 54.840 0.045 0.000 0.752 381 L CB -0.576 41.501 42.059 0.029 0.000 0.899 381 L HN 0.182 nan 8.230 nan 0.000 0.433 382 R N -0.194 120.326 120.500 0.034 0.000 2.096 382 R HA -0.108 4.207 4.340 -0.042 0.000 0.235 382 R C 2.363 178.756 176.300 0.156 0.000 1.127 382 R CA 1.248 57.386 56.100 0.063 0.000 0.968 382 R CB -0.622 29.501 30.300 -0.294 0.000 0.861 382 R HN 0.436 nan 8.270 nan 0.000 0.440 383 G N 0.865 109.718 108.800 0.089 0.000 2.408 383 G HA2 -0.187 3.748 3.960 -0.042 0.000 0.217 383 G HA3 -0.187 3.748 3.960 -0.042 0.000 0.217 383 G C 1.418 176.392 174.900 0.122 0.000 1.150 383 G CA 0.261 45.432 45.100 0.118 0.000 0.776 383 G HN 0.129 nan 8.290 nan 0.000 0.542 384 L N -0.319 120.984 121.223 0.133 0.000 2.156 384 L HA 0.080 4.395 4.340 -0.042 0.000 0.208 384 L C 2.973 179.929 176.870 0.143 0.000 1.095 384 L CA 0.643 55.561 54.840 0.130 0.000 0.770 384 L CB -0.227 41.904 42.059 0.121 0.000 0.914 384 L HN 0.239 nan 8.230 nan 0.000 0.439 385 M N -0.932 118.787 119.600 0.198 0.000 2.287 385 M HA -0.018 4.437 4.480 -0.042 0.000 0.266 385 M C 1.905 178.405 176.300 0.333 0.000 1.079 385 M CA 1.334 56.785 55.300 0.250 0.000 1.146 385 M CB -0.142 32.678 32.600 0.366 0.000 1.374 385 M HN 0.212 nan 8.290 nan 0.000 0.435 386 A N -0.206 122.812 122.820 0.330 0.000 2.379 386 A HA 0.216 4.511 4.320 -0.042 0.000 0.236 386 A C 0.292 177.906 177.584 0.050 0.000 1.272 386 A CA 0.055 52.228 52.037 0.226 0.000 0.886 386 A CB -0.243 18.810 19.000 0.088 0.000 0.962 386 A HN 0.258 nan 8.150 nan 0.000 0.504 387 T N 2.156 116.694 114.554 -0.027 0.000 2.829 387 T HA 0.546 4.871 4.350 -0.042 0.000 0.280 387 T C -2.858 171.783 174.700 -0.099 0.000 0.999 387 T CA -1.087 60.887 62.100 -0.211 0.000 0.983 387 T CB 1.816 70.358 68.868 -0.545 0.000 0.968 387 T HN 0.065 nan 8.240 nan 0.000 0.446 388 P HA 0.484 nan 4.420 nan 0.000 0.274 388 P C -0.772 176.531 177.300 0.005 0.000 1.237 388 P CA -0.588 62.505 63.100 -0.013 0.000 0.793 388 P CB 0.383 32.081 31.700 -0.002 0.000 0.977 389 A N 1.406 124.254 122.820 0.046 0.000 2.272 389 A HA 0.363 4.658 4.320 -0.042 0.000 0.275 389 A C 0.240 177.862 177.584 0.064 0.000 1.096 389 A CA -0.505 51.572 52.037 0.067 0.000 0.822 389 A CB 0.073 19.117 19.000 0.074 0.000 1.088 389 A HN 0.566 nan 8.150 nan 0.000 0.495 390 K N 0.304 120.748 120.400 0.074 0.000 2.218 390 K HA 0.403 4.698 4.320 -0.042 0.000 0.276 390 K C -0.897 175.735 176.600 0.054 0.000 1.022 390 K CA -0.481 55.848 56.287 0.070 0.000 0.946 390 K CB 0.554 33.099 32.500 0.074 0.000 1.000 390 K HN 0.510 nan 8.250 nan 0.000 0.468 391 L N 3.680 124.931 121.223 0.048 0.000 2.350 391 L HA 0.259 4.574 4.340 -0.042 0.000 0.275 391 L C -0.537 176.354 176.870 0.036 0.000 1.099 391 L CA -0.119 54.745 54.840 0.040 0.000 0.808 391 L CB 0.944 43.023 42.059 0.034 0.000 1.149 391 L HN 0.740 nan 8.230 nan 0.000 0.442 392 N N 4.423 123.142 118.700 0.032 0.000 2.430 392 N HA 0.326 5.041 4.740 -0.042 0.000 0.265 392 N C -0.995 174.522 175.510 0.010 0.000 1.100 392 N CA 0.083 53.145 53.050 0.021 0.000 0.961 392 N CB 0.414 38.911 38.487 0.018 0.000 1.075 392 N HN 0.641 nan 8.380 nan 0.000 0.478 393 R N 2.232 122.737 120.500 0.008 0.000 2.807 393 R HA 0.229 4.544 4.340 -0.042 0.000 0.276 393 R C 0.768 177.065 176.300 -0.006 0.000 0.979 393 R CA -0.701 55.401 56.100 0.003 0.000 0.928 393 R CB 1.411 31.718 30.300 0.011 0.000 1.191 393 R HN 0.598 nan 8.270 nan 0.000 0.471 394 Q N 0.798 120.591 119.800 -0.011 0.000 2.291 394 Q HA -0.136 4.179 4.340 -0.042 0.000 0.206 394 Q C 0.638 176.633 176.000 -0.008 0.000 0.976 394 Q CA 1.263 57.055 55.803 -0.018 0.000 0.875 394 Q CB 0.113 28.840 28.738 -0.017 0.000 0.927 394 Q HN 0.455 nan 8.270 nan 0.000 0.450 395 N N -0.904 117.796 118.700 0.001 0.000 2.234 395 N HA -0.002 4.713 4.740 -0.042 0.000 0.227 395 N C -0.544 174.974 175.510 0.013 0.000 1.151 395 N CA 0.036 53.090 53.050 0.007 0.000 0.865 395 N CB 0.668 39.159 38.487 0.008 0.000 1.066 395 N HN 0.111 nan 8.380 nan 0.000 0.515 396 Q N 0.609 120.418 119.800 0.015 0.000 3.449 396 Q HA 0.358 4.673 4.340 -0.042 0.000 0.272 396 Q C 0.369 176.386 176.000 0.029 0.000 0.787 396 Q CA -0.133 55.685 55.803 0.024 0.000 0.904 396 Q CB 0.766 29.520 28.738 0.026 0.000 1.536 396 Q HN 0.117 nan 8.270 nan 0.000 0.387 397 I N 0.271 120.861 120.570 0.033 0.000 2.110 397 I HA -0.018 4.127 4.170 -0.042 0.000 0.236 397 I C 0.925 177.097 176.117 0.092 0.000 1.068 397 I CA 0.957 62.284 61.300 0.045 0.000 1.333 397 I CB 0.205 38.229 38.000 0.041 0.000 1.054 397 I HN 0.326 nan 8.210 nan 0.000 0.402 398 A N 0.153 123.040 122.820 0.111 0.000 2.486 398 A HA 0.573 4.868 4.320 -0.042 0.000 0.300 398 A C -0.530 177.087 177.584 0.055 0.000 1.048 398 A CA -0.612 51.491 52.037 0.109 0.000 0.696 398 A CB 1.204 20.311 19.000 0.177 0.000 1.278 398 A HN 0.075 nan 8.150 nan 0.000 0.405 399 V N -0.047 119.884 119.914 0.028 0.000 3.096 399 V HA 0.260 4.355 4.120 -0.042 0.000 0.306 399 V C 0.660 176.741 176.094 -0.021 0.000 1.088 399 V CA 0.328 62.626 62.300 -0.004 0.000 1.129 399 V CB 0.527 32.331 31.823 -0.031 0.000 1.014 399 V HN 0.798 nan 8.190 nan 0.000 0.486 400 D N 0.759 121.139 120.400 -0.033 0.000 2.264 400 D HA -0.081 4.534 4.640 -0.042 0.000 0.208 400 D C 1.954 178.229 176.300 -0.043 0.000 0.966 400 D CA 1.079 55.057 54.000 -0.036 0.000 0.864 400 D CB 0.082 40.862 40.800 -0.033 0.000 0.933 400 D HN 0.751 nan 8.370 nan 0.000 0.499 401 E N 0.187 120.351 120.200 -0.060 0.000 2.265 401 E HA -0.118 4.208 4.350 -0.042 0.000 0.196 401 E C 2.180 178.804 176.600 0.040 0.000 0.996 401 E CA 0.557 56.935 56.400 -0.037 0.000 0.832 401 E CB 0.086 29.723 29.700 -0.105 0.000 0.756 401 E HN 0.578 nan 8.360 nan 0.000 0.491 402 I N -3.546 117.016 120.570 -0.014 0.000 4.187 402 I HA 0.221 4.366 4.170 -0.042 0.000 0.326 402 I C 2.261 178.291 176.117 -0.145 0.000 1.302 402 I CA -0.125 61.122 61.300 -0.088 0.000 1.196 402 I CB 0.148 38.070 38.000 -0.131 0.000 1.095 402 I HN -0.196 nan 8.210 nan 0.000 0.411 403 R N 0.973 121.420 120.500 -0.089 0.000 2.173 403 R HA 0.083 4.398 4.340 -0.042 0.000 0.208 403 R C 1.548 177.802 176.300 -0.076 0.000 1.035 403 R CA 0.873 56.921 56.100 -0.086 0.000 1.004 403 R CB 0.364 30.638 30.300 -0.044 0.000 0.917 403 R HN 0.362 nan 8.270 nan 0.000 0.462 404 E N -0.703 119.463 120.200 -0.056 0.000 2.391 404 E HA 0.087 4.412 4.350 -0.042 0.000 0.206 404 E C 0.851 177.437 176.600 -0.024 0.000 0.851 404 E CA 0.296 56.672 56.400 -0.040 0.000 1.059 404 E CB 0.657 30.341 29.700 -0.026 0.000 1.065 404 E HN 0.173 nan 8.360 nan 0.000 0.512 405 R N 0.897 121.394 120.500 -0.005 0.000 2.546 405 R HA 0.246 4.561 4.340 -0.042 0.000 0.320 405 R C 0.214 176.571 176.300 0.096 0.000 1.021 405 R CA -0.348 55.781 56.100 0.049 0.000 1.088 405 R CB 0.378 30.716 30.300 0.064 0.000 1.278 405 R HN -0.075 nan 8.270 nan 0.000 0.557 406 L N 1.912 123.096 121.223 -0.065 0.000 2.534 406 L HA -0.020 4.295 4.340 -0.042 0.000 0.271 406 L C -0.169 176.579 176.870 -0.204 0.000 1.178 406 L CA 0.732 55.371 54.840 -0.335 0.000 0.907 406 L CB -0.287 41.365 42.059 -0.678 0.000 1.164 406 L HN 0.276 nan 8.230 nan 0.000 0.482 407 F N 2.723 122.615 119.950 -0.098 0.000 3.100 407 F HA -0.297 4.207 4.527 -0.039 0.000 0.283 407 F C 1.677 177.546 175.800 0.115 0.000 0.900 407 F CA 1.231 59.280 58.000 0.082 0.000 1.010 407 F CB -2.299 36.714 39.000 0.023 0.000 1.029 407 F HN 0.796 nan 8.300 nan 0.000 0.637 408 E N 0.447 120.830 120.200 0.304 0.000 2.085 408 E HA -0.244 4.081 4.350 -0.042 0.000 0.194 408 E C 1.751 178.452 176.600 0.167 0.000 0.994 408 E CA 1.856 58.367 56.400 0.185 0.000 0.801 408 E CB -0.037 29.756 29.700 0.155 0.000 0.743 408 E HN 0.729 nan 8.360 nan 0.000 0.453 409 Q N -0.249 119.674 119.800 0.205 0.000 2.369 409 Q HA -0.076 4.239 4.340 -0.042 0.000 0.206 409 Q C 1.823 177.885 176.000 0.102 0.000 0.963 409 Q CA 1.265 57.154 55.803 0.144 0.000 0.894 409 Q CB 0.548 29.385 28.738 0.166 0.000 0.965 409 Q HN 0.366 nan 8.270 nan 0.000 0.475 410 V N -4.272 115.708 119.914 0.110 0.000 3.346 410 V HA 0.333 4.428 4.120 -0.042 0.000 0.309 410 V C 0.234 176.335 176.094 0.013 0.000 1.457 410 V CA -0.245 62.061 62.300 0.010 0.000 1.069 410 V CB 0.295 32.054 31.823 -0.108 0.000 0.944 410 V HN 0.018 nan 8.190 nan 0.000 0.449 411 M N 1.138 120.780 119.600 0.071 0.000 2.690 411 M HA 0.518 4.973 4.480 -0.042 0.000 0.302 411 M C 1.263 177.592 176.300 0.048 0.000 1.234 411 M CA -0.495 54.844 55.300 0.066 0.000 0.853 411 M CB 2.424 35.093 32.600 0.115 0.000 1.748 411 M HN 0.258 nan 8.290 nan 0.000 0.469 412 R N 0.411 120.931 120.500 0.034 0.000 2.189 412 R HA 0.221 4.536 4.340 -0.042 0.000 0.223 412 R C 0.432 176.746 176.300 0.024 0.000 1.092 412 R CA 1.007 57.120 56.100 0.021 0.000 0.989 412 R CB 0.299 30.606 30.300 0.011 0.000 0.876 412 R HN 0.618 nan 8.270 nan 0.000 0.457 413 I N -0.135 120.454 120.570 0.031 0.000 2.913 413 I HA 0.405 4.550 4.170 -0.042 0.000 0.302 413 I C -0.839 175.297 176.117 0.033 0.000 1.246 413 I CA -1.211 60.103 61.300 0.023 0.000 1.010 413 I CB 2.248 40.253 38.000 0.007 0.000 1.259 413 I HN 0.148 nan 8.210 nan 0.000 0.434 414 G N 6.424 115.240 108.800 0.026 0.000 2.365 414 G HA2 0.407 4.342 3.960 -0.042 0.000 0.249 414 G HA3 0.407 4.342 3.960 -0.042 0.000 0.249 414 G C -0.371 174.514 174.900 -0.025 0.000 1.288 414 G CA -0.383 44.728 45.100 0.019 0.000 0.887 414 G HN 0.544 nan 8.290 nan 0.000 0.524 415 L N 1.357 122.539 121.223 -0.068 0.000 2.468 415 L HA 0.379 4.694 4.340 -0.042 0.000 0.254 415 L C 0.125 176.901 176.870 -0.157 0.000 1.171 415 L CA -0.851 53.922 54.840 -0.113 0.000 0.809 415 L CB 0.915 42.877 42.059 -0.161 0.000 1.155 415 L HN 0.374 nan 8.230 nan 0.000 0.473 416 D N 0.667 120.973 120.400 -0.157 0.000 2.453 416 D HA 0.163 4.778 4.640 -0.042 0.000 0.238 416 D C 0.275 176.439 176.300 -0.227 0.000 1.088 416 D CA -0.499 53.401 54.000 -0.166 0.000 0.854 416 D CB 1.749 42.476 40.800 -0.122 0.000 1.076 416 D HN 0.296 nan 8.370 nan 0.000 0.533 417 L N 6.724 127.763 121.223 -0.306 0.000 2.005 417 L HA 0.110 4.425 4.340 -0.042 0.000 0.207 417 L C -1.045 175.580 176.870 -0.408 0.000 1.072 417 L CA 1.694 56.295 54.840 -0.398 0.000 0.744 417 L CB -1.194 40.531 42.059 -0.557 0.000 0.895 417 L HN 0.335 nan 8.230 nan 0.000 0.433 418 P HA -0.229 nan 4.420 nan 0.000 0.216 418 P C 1.440 178.521 177.300 -0.365 0.000 1.154 418 P CA 2.307 65.088 63.100 -0.532 0.000 0.865 418 P CB -0.182 31.416 31.700 -0.171 0.000 0.789 419 A N -1.384 121.309 122.820 -0.212 0.000 1.968 419 A HA -0.079 4.216 4.320 -0.042 0.000 0.217 419 A C 2.156 179.636 177.584 -0.172 0.000 1.169 419 A CA 1.055 52.998 52.037 -0.156 0.000 0.638 419 A CB -1.439 17.482 19.000 -0.132 0.000 0.812 419 A HN 0.121 nan 8.150 nan 0.000 0.446 420 L N -0.436 120.685 121.223 -0.169 0.000 2.156 420 L HA -0.170 4.145 4.340 -0.042 0.000 0.208 420 L C 2.180 179.010 176.870 -0.067 0.000 1.095 420 L CA 1.329 56.135 54.840 -0.057 0.000 0.770 420 L CB -0.584 41.453 42.059 -0.037 0.000 0.914 420 L HN 0.491 nan 8.230 nan 0.000 0.439 421 N N -0.222 118.336 118.700 -0.238 0.000 2.120 421 N HA -0.165 4.550 4.740 -0.042 0.000 0.188 421 N C 1.915 177.345 175.510 -0.134 0.000 1.024 421 N CA 1.194 54.072 53.050 -0.288 0.000 0.852 421 N CB -0.085 37.943 38.487 -0.765 0.000 1.003 421 N HN 0.309 nan 8.380 nan 0.000 0.424 422 M N 0.031 119.574 119.600 -0.095 0.000 2.193 422 M HA -0.105 4.350 4.480 -0.042 0.000 0.265 422 M C 2.276 178.573 176.300 -0.005 0.000 1.071 422 M CA 1.162 56.480 55.300 0.031 0.000 1.140 422 M CB -0.124 32.528 32.600 0.087 0.000 1.369 422 M HN 0.063 nan 8.290 nan 0.000 0.423 423 Q N 0.732 120.463 119.800 -0.115 0.000 2.170 423 Q HA -0.175 4.140 4.340 -0.042 0.000 0.203 423 Q C 1.975 177.945 176.000 -0.051 0.000 0.976 423 Q CA 1.624 57.268 55.803 -0.265 0.000 0.858 423 Q CB -0.076 28.227 28.738 -0.725 0.000 0.907 423 Q HN 0.166 nan 8.270 nan 0.000 0.433 424 R N -0.216 120.362 120.500 0.130 0.000 2.092 424 R HA -0.061 4.254 4.340 -0.042 0.000 0.231 424 R C 2.105 178.442 176.300 0.061 0.000 1.119 424 R CA 1.784 58.027 56.100 0.238 0.000 0.970 424 R CB -0.522 29.815 30.300 0.061 0.000 0.864 424 R HN 0.438 nan 8.270 nan 0.000 0.440 425 S N -0.374 115.354 115.700 0.047 0.000 2.423 425 S HA -0.101 4.344 4.470 -0.042 0.000 0.231 425 S C 1.902 176.606 174.600 0.173 0.000 1.014 425 S CA 0.886 59.137 58.200 0.084 0.000 0.965 425 S CB -0.236 63.029 63.200 0.108 0.000 0.785 425 S HN 0.335 nan 8.310 nan 0.000 0.495 426 R N 1.217 121.830 120.500 0.189 0.000 2.075 426 R HA 0.032 4.347 4.340 -0.042 0.000 0.226 426 R C 2.161 178.615 176.300 0.256 0.000 1.114 426 R CA 1.239 57.471 56.100 0.219 0.000 0.972 426 R CB -0.475 29.974 30.300 0.249 0.000 0.869 426 R HN 0.452 nan 8.270 nan 0.000 0.437 427 D N 0.402 121.018 120.400 0.361 0.000 2.149 427 D HA -0.186 4.429 4.640 -0.042 0.000 0.198 427 D C 1.303 177.826 176.300 0.371 0.000 0.990 427 D CA 1.419 55.661 54.000 0.403 0.000 0.839 427 D CB -0.059 41.153 40.800 0.687 0.000 0.948 427 D HN 0.406 nan 8.370 nan 0.000 0.460 428 H N -1.332 117.845 119.070 0.178 0.000 2.547 428 H HA 0.210 4.741 4.556 -0.042 0.000 0.266 428 H C 1.057 176.454 175.328 0.115 0.000 0.988 428 H CA 0.111 56.238 56.048 0.132 0.000 1.147 428 H CB 0.240 30.079 29.762 0.129 0.000 1.365 428 H HN 0.291 nan 8.280 nan 0.000 0.589 429 G N 1.633 110.565 108.800 0.220 0.000 2.273 429 G HA2 -0.288 3.647 3.960 -0.042 0.000 0.280 429 G HA3 -0.288 3.647 3.960 -0.042 0.000 0.280 429 G C 0.062 175.069 174.900 0.179 0.000 1.047 429 G CA -0.034 45.159 45.100 0.155 0.000 0.869 429 G HN 0.266 nan 8.290 nan 0.000 0.502 430 L N 0.239 121.598 121.223 0.227 0.000 2.380 430 L HA 0.327 4.642 4.340 -0.042 0.000 0.273 430 L C -1.175 175.863 176.870 0.280 0.000 1.138 430 L CA -1.937 53.081 54.840 0.297 0.000 0.832 430 L CB 0.469 42.717 42.059 0.313 0.000 1.124 430 L HN -0.020 nan 8.230 nan 0.000 0.454 431 P HA -0.000 nan 4.420 nan 0.000 0.269 431 P C 0.111 177.547 177.300 0.226 0.000 1.211 431 P CA -0.094 63.044 63.100 0.063 0.000 0.781 431 P CB 0.456 31.963 31.700 -0.322 0.000 0.877 432 G N 0.004 108.876 108.800 0.120 0.000 2.588 432 G HA2 0.035 3.970 3.960 -0.042 0.000 0.281 432 G HA3 0.035 3.970 3.960 -0.042 0.000 0.281 432 G C 0.346 175.399 174.900 0.254 0.000 1.236 432 G CA -0.299 44.910 45.100 0.181 0.000 0.969 432 G HN 0.493 nan 8.290 nan 0.000 0.504 433 Y N 0.521 120.883 120.300 0.103 0.000 2.030 433 Y HA -0.320 4.206 4.550 -0.040 0.000 0.272 433 Y C 2.714 178.677 175.900 0.105 0.000 1.185 433 Y CA 2.884 61.053 58.100 0.114 0.000 1.120 433 Y CB -0.168 38.292 38.460 0.001 0.000 0.955 433 Y HN 0.450 nan 8.280 nan 0.000 0.495 434 N N 0.106 118.830 118.700 0.039 0.000 2.166 434 N HA -0.155 4.561 4.740 -0.042 0.000 0.186 434 N C 1.928 177.373 175.510 -0.108 0.000 1.019 434 N CA 1.401 54.405 53.050 -0.077 0.000 0.856 434 N CB -0.803 37.696 38.487 0.019 0.000 0.993 434 N HN 0.562 nan 8.380 nan 0.000 0.426 435 A N -0.335 122.404 122.820 -0.134 0.000 1.933 435 A HA -0.111 4.184 4.320 -0.042 0.000 0.218 435 A C 2.039 179.420 177.584 -0.337 0.000 1.175 435 A CA 1.038 52.914 52.037 -0.268 0.000 0.628 435 A CB -1.004 17.752 19.000 -0.406 0.000 0.814 435 A HN 0.438 nan 8.150 nan 0.000 0.444 436 W N -0.475 120.801 121.300 -0.039 0.000 2.418 436 W HA -0.017 4.614 4.660 -0.047 0.000 0.292 436 W C 2.549 179.072 176.519 0.007 0.000 1.213 436 W CA 0.566 57.907 57.345 -0.006 0.000 1.283 436 W CB 0.016 29.447 29.460 -0.048 0.000 1.119 436 W HN 0.151 nan 8.180 nan 0.000 0.542 437 R N 0.372 120.873 120.500 0.001 0.000 2.075 437 R HA -0.093 4.222 4.340 -0.042 0.000 0.232 437 R C 2.037 178.340 176.300 0.005 0.000 1.126 437 R CA 1.266 57.319 56.100 -0.079 0.000 0.963 437 R CB -0.928 29.215 30.300 -0.261 0.000 0.858 437 R HN 0.276 nan 8.270 nan 0.000 0.435 438 R N 0.129 120.625 120.500 -0.007 0.000 2.081 438 R HA -0.144 4.171 4.340 -0.042 0.000 0.235 438 R C 2.207 178.534 176.300 0.045 0.000 1.131 438 R CA 1.384 57.484 56.100 -0.001 0.000 0.960 438 R CB -0.394 29.890 30.300 -0.028 0.000 0.856 438 R HN 0.157 nan 8.270 nan 0.000 0.436 439 F N 0.563 120.482 119.950 -0.052 0.000 2.161 439 F HA -0.202 4.300 4.527 -0.040 0.000 0.300 439 F C 1.718 177.556 175.800 0.064 0.000 1.089 439 F CA 1.348 59.346 58.000 -0.003 0.000 1.282 439 F CB -0.323 38.691 39.000 0.023 0.000 1.010 439 F HN 0.031 nan 8.300 nan 0.000 0.485 440 c N 1.201 119.831 118.600 0.051 0.000 2.576 440 c HA 0.372 4.917 4.570 -0.042 0.000 0.267 440 c C 1.808 175.873 174.090 -0.041 0.000 1.364 440 c CA 0.612 56.919 56.329 -0.037 0.000 1.723 440 c CB -1.503 41.089 42.510 0.135 0.000 1.778 440 c HN 0.905 nan 8.230 nan 0.000 0.572 441 G N 0.985 109.756 108.800 -0.049 0.000 2.198 441 G HA2 -0.237 3.698 3.960 -0.042 0.000 0.257 441 G HA3 -0.237 3.698 3.960 -0.042 0.000 0.257 441 G C -0.178 174.715 174.900 -0.011 0.000 1.042 441 G CA -0.035 45.043 45.100 -0.037 0.000 0.791 441 G HN 0.547 nan 8.290 nan 0.000 0.502 442 L N -0.234 120.988 121.223 -0.003 0.000 2.331 442 L HA 0.493 4.808 4.340 -0.042 0.000 0.275 442 L C -1.875 174.989 176.870 -0.011 0.000 1.022 442 L CA -2.582 52.257 54.840 -0.001 0.000 0.812 442 L CB 1.583 43.642 42.059 0.000 0.000 1.257 442 L HN -0.151 nan 8.230 nan 0.000 0.435 443 P HA 0.006 nan 4.420 nan 0.000 0.264 443 P C -1.373 175.927 177.300 0.001 0.000 1.183 443 P CA -0.004 63.098 63.100 0.004 0.000 0.763 443 P CB 0.359 32.069 31.700 0.016 0.000 0.807 444 Q N 4.765 124.567 119.800 0.002 0.000 2.368 444 Q HA 0.318 4.633 4.340 -0.042 0.000 0.256 444 Q C -2.057 173.971 176.000 0.048 0.000 0.980 444 Q CA -1.813 53.995 55.803 0.008 0.000 0.887 444 Q CB 0.498 29.233 28.738 -0.005 0.000 1.221 444 Q HN 0.368 nan 8.270 nan 0.000 0.458 445 P HA 0.011 nan 4.420 nan 0.000 0.271 445 P C -0.430 176.920 177.300 0.083 0.000 1.220 445 P CA -0.008 63.148 63.100 0.092 0.000 0.768 445 P CB 1.444 33.220 31.700 0.128 0.000 0.848 446 E N 0.894 121.127 120.200 0.056 0.000 2.372 446 E HA 0.045 4.370 4.350 -0.042 0.000 0.201 446 E C 0.989 177.615 176.600 0.042 0.000 0.938 446 E CA 0.856 57.285 56.400 0.047 0.000 0.944 446 E CB 0.262 29.982 29.700 0.034 0.000 0.937 446 E HN 0.607 nan 8.360 nan 0.000 0.495 447 T N -2.302 112.275 114.554 0.038 0.000 2.950 447 T HA 0.310 4.636 4.350 -0.042 0.000 0.288 447 T C 1.167 175.885 174.700 0.031 0.000 1.035 447 T CA -0.450 61.670 62.100 0.032 0.000 1.028 447 T CB 2.019 70.903 68.868 0.026 0.000 1.109 447 T HN -0.191 nan 8.240 nan 0.000 0.514 448 V N 1.704 121.634 119.914 0.027 0.000 2.594 448 V HA 0.111 4.206 4.120 -0.042 0.000 0.253 448 V C 2.237 178.343 176.094 0.020 0.000 1.069 448 V CA 2.659 64.972 62.300 0.023 0.000 1.082 448 V CB -1.224 30.612 31.823 0.020 0.000 0.680 448 V HN 1.083 nan 8.190 nan 0.000 0.469 449 G N -1.237 107.575 108.800 0.020 0.000 2.402 449 G HA2 -0.234 3.701 3.960 -0.042 0.000 0.216 449 G HA3 -0.234 3.701 3.960 -0.042 0.000 0.216 449 G C 1.427 176.341 174.900 0.022 0.000 1.162 449 G CA 0.832 45.943 45.100 0.019 0.000 0.777 449 G HN 0.574 nan 8.290 nan 0.000 0.539 450 Q N -0.697 119.119 119.800 0.028 0.000 2.119 450 Q HA 0.018 4.333 4.340 -0.042 0.000 0.201 450 Q C 2.443 178.469 176.000 0.043 0.000 0.972 450 Q CA 0.846 56.670 55.803 0.035 0.000 0.847 450 Q CB -0.193 28.568 28.738 0.039 0.000 0.903 450 Q HN 0.406 nan 8.270 nan 0.000 0.433 451 L N 0.210 121.457 121.223 0.041 0.000 2.141 451 L HA 0.006 4.321 4.340 -0.042 0.000 0.209 451 L C 2.007 178.890 176.870 0.023 0.000 1.094 451 L CA 1.857 56.720 54.840 0.038 0.000 0.763 451 L CB -0.722 41.346 42.059 0.016 0.000 0.908 451 L HN 0.154 nan 8.230 nan 0.000 0.437 452 G N -2.033 106.778 108.800 0.018 0.000 2.422 452 G HA2 -0.192 3.743 3.960 -0.042 0.000 0.218 452 G HA3 -0.192 3.743 3.960 -0.042 0.000 0.218 452 G C 1.403 176.313 174.900 0.017 0.000 1.140 452 G CA 1.058 46.165 45.100 0.012 0.000 0.775 452 G HN 0.416 nan 8.290 nan 0.000 0.545 453 T N 0.776 115.344 114.554 0.023 0.000 2.770 453 T HA -0.062 4.263 4.350 -0.042 0.000 0.263 453 T C 2.561 177.280 174.700 0.031 0.000 1.039 453 T CA 1.018 63.133 62.100 0.024 0.000 1.142 453 T CB -0.230 68.653 68.868 0.024 0.000 0.868 453 T HN 0.039 nan 8.240 nan 0.000 0.435 454 V N 1.487 121.428 119.914 0.045 0.000 2.287 454 V HA -0.111 3.984 4.120 -0.042 0.000 0.248 454 V C 2.316 178.441 176.094 0.052 0.000 1.053 454 V CA 1.392 63.730 62.300 0.063 0.000 1.027 454 V CB -0.514 31.372 31.823 0.106 0.000 0.646 454 V HN 0.323 nan 8.190 nan 0.000 0.447 455 L N -0.768 120.476 121.223 0.035 0.000 2.418 455 L HA 0.163 4.478 4.340 -0.042 0.000 0.218 455 L C 1.418 178.294 176.870 0.009 0.000 1.125 455 L CA 0.957 55.806 54.840 0.015 0.000 0.835 455 L CB -0.971 41.082 42.059 -0.009 0.000 0.953 455 L HN 0.375 nan 8.230 nan 0.000 0.454 456 R N 0.269 120.776 120.500 0.013 0.000 3.531 456 R HA -0.208 4.107 4.340 -0.042 0.000 0.280 456 R C -0.129 176.174 176.300 0.005 0.000 1.130 456 R CA 0.607 56.713 56.100 0.010 0.000 0.757 456 R CB -2.126 28.180 30.300 0.009 0.000 1.218 456 R HN 0.362 nan 8.270 nan 0.000 0.454 457 N N 0.102 118.803 118.700 0.003 0.000 2.976 457 N HA 0.026 4.741 4.740 -0.042 0.000 0.249 457 N C -0.174 175.336 175.510 0.000 0.000 1.258 457 N CA -0.372 52.678 53.050 0.000 0.000 0.864 457 N CB 1.105 39.590 38.487 -0.004 0.000 1.551 457 N HN 0.057 nan 8.380 nan 0.000 0.607 458 L N 3.691 124.916 121.223 0.003 0.000 2.156 458 L HA 0.206 4.521 4.340 -0.042 0.000 0.208 458 L C 2.050 178.922 176.870 0.003 0.000 1.095 458 L CA 1.765 56.608 54.840 0.004 0.000 0.770 458 L CB -0.165 41.897 42.059 0.006 0.000 0.914 458 L HN 0.515 nan 8.230 nan 0.000 0.439 459 K N -0.323 120.078 120.400 0.002 0.000 2.057 459 K HA -0.144 4.151 4.320 -0.042 0.000 0.207 459 K C 2.072 178.673 176.600 0.001 0.000 1.049 459 K CA 1.649 57.937 56.287 0.002 0.000 0.931 459 K CB -0.587 31.914 32.500 0.002 0.000 0.714 459 K HN 0.370 nan 8.250 nan 0.000 0.440 460 L N -0.123 121.098 121.223 -0.003 0.000 2.046 460 L HA -0.152 4.164 4.340 -0.042 0.000 0.208 460 L C 2.138 179.003 176.870 -0.008 0.000 1.077 460 L CA 1.657 56.493 54.840 -0.007 0.000 0.747 460 L CB -0.583 41.466 42.059 -0.017 0.000 0.896 460 L HN 0.353 nan 8.230 nan 0.000 0.432 461 A N 0.057 122.871 122.820 -0.009 0.000 1.902 461 A HA -0.238 4.057 4.320 -0.042 0.000 0.217 461 A C 2.254 179.842 177.584 0.006 0.000 1.181 461 A CA 1.587 53.619 52.037 -0.008 0.000 0.623 461 A CB -0.485 18.513 19.000 -0.003 0.000 0.818 461 A HN 0.429 nan 8.150 nan 0.000 0.443 462 R N -0.238 120.267 120.500 0.009 0.000 2.081 462 R HA -0.099 4.216 4.340 -0.042 0.000 0.235 462 R C 2.229 178.539 176.300 0.016 0.000 1.131 462 R CA 1.576 57.684 56.100 0.013 0.000 0.960 462 R CB -0.327 29.978 30.300 0.009 0.000 0.856 462 R HN 0.510 nan 8.270 nan 0.000 0.436 463 K N 0.333 120.740 120.400 0.013 0.000 2.063 463 K HA -0.139 4.156 4.320 -0.042 0.000 0.208 463 K C 2.025 178.644 176.600 0.032 0.000 1.048 463 K CA 1.043 57.338 56.287 0.013 0.000 0.928 463 K CB -0.149 32.357 32.500 0.009 0.000 0.713 463 K HN 0.014 nan 8.250 nan 0.000 0.442 464 L N 0.816 122.070 121.223 0.051 0.000 2.017 464 L HA -0.131 4.184 4.340 -0.042 0.000 0.208 464 L C 2.271 179.236 176.870 0.158 0.000 1.073 464 L CA 1.675 56.592 54.840 0.129 0.000 0.745 464 L CB -0.772 41.323 42.059 0.060 0.000 0.894 464 L HN 0.264 nan 8.230 nan 0.000 0.432 465 M N -0.977 118.674 119.600 0.086 0.000 2.213 465 M HA -0.160 4.295 4.480 -0.042 0.000 0.263 465 M C 2.077 178.414 176.300 0.062 0.000 1.062 465 M CA 1.148 56.497 55.300 0.081 0.000 1.105 465 M CB -0.991 31.638 32.600 0.048 0.000 1.385 465 M HN 0.330 nan 8.290 nan 0.000 0.417 466 E N -0.407 119.813 120.200 0.034 0.000 2.106 466 E HA -0.187 4.138 4.350 -0.042 0.000 0.192 466 E C 2.163 178.752 176.600 -0.019 0.000 0.984 466 E CA 0.825 57.229 56.400 0.007 0.000 0.806 466 E CB 0.073 29.770 29.700 -0.004 0.000 0.750 466 E HN 0.484 nan 8.360 nan 0.000 0.458 467 Q N -0.575 119.195 119.800 -0.050 0.000 2.096 467 Q HA -0.071 4.244 4.340 -0.042 0.000 0.197 467 Q C 1.620 177.483 176.000 -0.228 0.000 0.964 467 Q CA 1.278 56.966 55.803 -0.193 0.000 0.838 467 Q CB -0.046 28.467 28.738 -0.375 0.000 0.906 467 Q HN 0.441 nan 8.270 nan 0.000 0.444 468 Y N -0.894 119.409 120.300 0.004 0.000 2.497 468 Y HA 0.221 4.770 4.550 -0.003 0.000 0.265 468 Y C 1.825 177.734 175.900 0.016 0.000 1.111 468 Y CA 0.596 58.703 58.100 0.013 0.000 1.288 468 Y CB 0.439 38.908 38.460 0.015 0.000 1.082 468 Y HN 0.268 nan 8.280 nan 0.000 0.536 469 G N -0.257 108.633 108.800 0.149 0.000 3.329 469 G HA2 -0.336 3.599 3.960 -0.042 0.000 0.220 469 G HA3 -0.336 3.599 3.960 -0.042 0.000 0.220 469 G C 0.568 175.522 174.900 0.090 0.000 1.358 469 G CA 0.657 45.814 45.100 0.095 0.000 0.856 469 G HN 0.467 nan 8.290 nan 0.000 0.551 470 T N 0.771 115.387 114.554 0.104 0.000 2.900 470 T HA 0.665 4.990 4.350 -0.042 0.000 0.295 470 T C -1.998 172.738 174.700 0.061 0.000 1.044 470 T CA -0.732 61.413 62.100 0.074 0.000 0.995 470 T CB 2.288 71.194 68.868 0.063 0.000 1.072 470 T HN -0.032 nan 8.240 nan 0.000 0.473 471 P HA 0.013 nan 4.420 nan 0.000 0.222 471 P C 1.136 178.489 177.300 0.088 0.000 1.147 471 P CA 0.568 63.701 63.100 0.055 0.000 0.790 471 P CB 0.152 31.926 31.700 0.124 0.000 0.780 472 N N -0.685 118.056 118.700 0.068 0.000 2.453 472 N HA -0.069 4.646 4.740 -0.042 0.000 0.183 472 N C 0.829 176.365 175.510 0.044 0.000 1.041 472 N CA 0.896 53.981 53.050 0.058 0.000 0.900 472 N CB -0.502 38.009 38.487 0.039 0.000 0.961 472 N HN 0.202 nan 8.380 nan 0.000 0.443 473 N N 0.245 118.955 118.700 0.017 0.000 2.205 473 N HA 0.201 4.916 4.740 -0.042 0.000 0.201 473 N C 0.139 175.519 175.510 -0.218 0.000 1.128 473 N CA -0.111 52.944 53.050 0.008 0.000 0.867 473 N CB 0.821 39.382 38.487 0.123 0.000 0.996 473 N HN 0.207 nan 8.380 nan 0.000 0.503 474 I N 1.802 122.099 120.570 -0.455 0.000 2.683 474 I HA -0.064 4.082 4.170 -0.042 0.000 0.286 474 I C 0.235 176.144 176.117 -0.346 0.000 1.175 474 I CA 0.136 60.848 61.300 -0.980 0.000 1.429 474 I CB 0.362 37.951 38.000 -0.685 0.000 1.371 474 I HN -0.095 nan 8.210 nan 0.000 0.569 475 D N 5.676 125.937 120.400 -0.232 0.000 2.443 475 D HA -0.037 4.578 4.640 -0.042 0.000 0.239 475 D C 1.138 177.519 176.300 0.135 0.000 1.136 475 D CA -0.090 53.960 54.000 0.084 0.000 0.879 475 D CB 1.460 42.382 40.800 0.203 0.000 1.195 475 D HN 0.430 nan 8.370 nan 0.000 0.443 476 I N 2.221 122.905 120.570 0.192 0.000 2.194 476 I HA -0.242 3.903 4.170 -0.042 0.000 0.246 476 I C 1.885 178.089 176.117 0.146 0.000 1.093 476 I CA 1.458 62.856 61.300 0.164 0.000 1.355 476 I CB -0.226 37.773 38.000 -0.002 0.000 1.046 476 I HN 0.636 nan 8.210 nan 0.000 0.413 477 W N 0.157 121.461 121.300 0.006 0.000 2.381 477 W HA -0.253 4.377 4.660 -0.049 0.000 0.301 477 W C 2.445 178.978 176.519 0.024 0.000 1.205 477 W CA 2.013 59.358 57.345 0.000 0.000 1.285 477 W CB -0.373 29.084 29.460 -0.005 0.000 1.133 477 W HN 0.209 nan 8.180 nan 0.000 0.521 478 M N 0.864 120.607 119.600 0.238 0.000 2.117 478 M HA 0.059 4.514 4.480 -0.042 0.000 0.262 478 M C 2.181 178.394 176.300 -0.145 0.000 1.065 478 M CA 2.497 57.822 55.300 0.041 0.000 1.114 478 M CB -1.237 31.506 32.600 0.239 0.000 1.361 478 M HN 0.051 nan 8.290 nan 0.000 0.408 479 G N -1.290 107.440 108.800 -0.117 0.000 2.402 479 G HA2 -0.067 3.868 3.960 -0.042 0.000 0.216 479 G HA3 -0.067 3.868 3.960 -0.042 0.000 0.216 479 G C 1.506 176.371 174.900 -0.057 0.000 1.162 479 G CA 0.667 45.619 45.100 -0.245 0.000 0.777 479 G HN 0.626 nan 8.290 nan 0.000 0.539 480 G N 0.848 109.651 108.800 0.004 0.000 2.459 480 G HA2 -0.187 3.748 3.960 -0.042 0.000 0.217 480 G HA3 -0.187 3.748 3.960 -0.042 0.000 0.217 480 G C 1.906 176.699 174.900 -0.178 0.000 1.183 480 G CA 2.145 47.220 45.100 -0.042 0.000 0.776 480 G HN 0.872 nan 8.290 nan 0.000 0.552 481 V N -1.565 118.109 119.914 -0.401 0.000 3.305 481 V HA 0.090 4.185 4.120 -0.042 0.000 0.269 481 V C 2.230 178.167 176.094 -0.261 0.000 1.157 481 V CA 1.953 64.006 62.300 -0.412 0.000 1.157 481 V CB 0.005 31.361 31.823 -0.779 0.000 0.772 481 V HN 0.185 nan 8.190 nan 0.000 0.498 482 S N -0.334 115.240 115.700 -0.209 0.000 2.501 482 S HA 0.129 4.574 4.470 -0.042 0.000 0.220 482 S C 0.768 175.319 174.600 -0.081 0.000 0.997 482 S CA 0.022 58.139 58.200 -0.139 0.000 0.919 482 S CB -0.198 62.912 63.200 -0.150 0.000 0.778 482 S HN 0.767 nan 8.310 nan 0.000 0.523 483 E N 2.832 123.000 120.200 -0.052 0.000 2.398 483 E HA 0.104 4.429 4.350 -0.042 0.000 0.263 483 E C -2.462 174.127 176.600 -0.017 0.000 1.046 483 E CA -1.783 54.614 56.400 -0.006 0.000 0.908 483 E CB 0.150 29.872 29.700 0.035 0.000 0.963 483 E HN 0.161 nan 8.360 nan 0.000 0.431 484 P HA -0.019 nan 4.420 nan 0.000 0.268 484 P C -0.612 176.683 177.300 -0.008 0.000 1.204 484 P CA -0.249 62.848 63.100 -0.006 0.000 0.768 484 P CB 0.460 32.161 31.700 0.002 0.000 0.842 485 L N 4.014 125.230 121.223 -0.012 0.000 2.499 485 L HA 0.061 4.377 4.340 -0.042 0.000 0.273 485 L C 1.347 178.210 176.870 -0.012 0.000 1.195 485 L CA 0.655 55.484 54.840 -0.018 0.000 0.882 485 L CB -0.543 41.508 42.059 -0.014 0.000 1.133 485 L HN 0.257 nan 8.230 nan 0.000 0.483 486 K N 3.531 123.921 120.400 -0.017 0.000 2.380 486 K HA 0.054 4.349 4.320 -0.042 0.000 0.267 486 K C 0.354 176.949 176.600 -0.008 0.000 0.990 486 K CA -0.356 55.926 56.287 -0.007 0.000 0.946 486 K CB 0.312 32.809 32.500 -0.006 0.000 0.937 486 K HN 0.479 nan 8.250 nan 0.000 0.491 487 R N 2.104 122.603 120.500 -0.002 0.000 2.480 487 R HA -0.096 4.219 4.340 -0.042 0.000 0.303 487 R C -0.148 176.150 176.300 -0.004 0.000 0.985 487 R CA 0.823 56.923 56.100 -0.001 0.000 1.051 487 R CB 0.015 30.316 30.300 0.002 0.000 0.935 487 R HN 0.614 nan 8.270 nan 0.000 0.410 488 K N 0.578 120.975 120.400 -0.004 0.000 3.341 488 K HA -0.191 4.104 4.320 -0.042 0.000 0.305 488 K C -0.009 176.580 176.600 -0.018 0.000 1.270 488 K CA 1.040 57.324 56.287 -0.005 0.000 0.897 488 K CB -1.109 31.390 32.500 -0.000 0.000 1.264 488 K HN 0.910 nan 8.250 nan 0.000 0.468 489 G N -0.598 108.186 108.800 -0.027 0.000 2.685 489 G HA2 0.604 4.539 3.960 -0.042 0.000 0.298 489 G HA3 0.604 4.539 3.960 -0.042 0.000 0.298 489 G C -0.145 174.723 174.900 -0.053 0.000 1.277 489 G CA -0.704 44.364 45.100 -0.054 0.000 0.986 489 G HN 0.032 nan 8.290 nan 0.000 0.487 490 R N -0.403 120.046 120.500 -0.085 0.000 2.629 490 R HA 0.287 4.602 4.340 -0.042 0.000 0.408 490 R C -0.131 176.116 176.300 -0.088 0.000 1.057 490 R CA -0.127 55.944 56.100 -0.048 0.000 1.119 490 R CB 0.331 30.639 30.300 0.013 0.000 1.403 490 R HN 0.569 nan 8.270 nan 0.000 0.576 491 V N -4.228 115.598 119.914 -0.148 0.000 3.114 491 V HA 0.910 5.005 4.120 -0.042 0.000 0.308 491 V C 0.338 176.372 176.094 -0.100 0.000 1.168 491 V CA -1.151 61.039 62.300 -0.183 0.000 1.015 491 V CB 1.789 33.410 31.823 -0.337 0.000 1.050 491 V HN 0.064 nan 8.190 nan 0.000 0.433 492 G N 0.267 109.023 108.800 -0.074 0.000 2.532 492 G HA2 0.611 4.546 3.960 -0.042 0.000 0.291 492 G HA3 0.611 4.546 3.960 -0.042 0.000 0.291 492 G C -1.523 173.368 174.900 -0.015 0.000 1.349 492 G CA -0.963 44.119 45.100 -0.029 0.000 1.038 492 G HN 0.637 nan 8.290 nan 0.000 0.518 493 P HA -0.105 nan 4.420 nan 0.000 0.218 493 P C 1.983 179.303 177.300 0.034 0.000 1.148 493 P CA 0.548 63.672 63.100 0.040 0.000 0.822 493 P CB 0.185 31.917 31.700 0.052 0.000 0.784 494 L N -1.005 120.234 121.223 0.026 0.000 2.023 494 L HA -0.058 4.257 4.340 -0.042 0.000 0.205 494 L C 2.314 179.176 176.870 -0.012 0.000 1.073 494 L CA 1.686 56.540 54.840 0.024 0.000 0.745 494 L CB -1.573 40.505 42.059 0.032 0.000 0.900 494 L HN -0.198 nan 8.230 nan 0.000 0.435 495 L N 0.028 121.225 121.223 -0.043 0.000 2.083 495 L HA -0.062 4.253 4.340 -0.042 0.000 0.209 495 L C 2.658 179.460 176.870 -0.112 0.000 1.083 495 L CA 1.894 56.683 54.840 -0.086 0.000 0.752 495 L CB -1.501 40.480 42.059 -0.129 0.000 0.899 495 L HN 0.367 nan 8.230 nan 0.000 0.433 496 A N -1.564 121.188 122.820 -0.113 0.000 1.933 496 A HA -0.296 3.999 4.320 -0.042 0.000 0.218 496 A C 2.598 179.980 177.584 -0.337 0.000 1.175 496 A CA 1.779 53.734 52.037 -0.136 0.000 0.628 496 A CB -1.393 17.597 19.000 -0.016 0.000 0.814 496 A HN 0.610 nan 8.150 nan 0.000 0.444 497 c N -0.554 117.870 118.600 -0.294 0.000 2.453 497 c HA -0.017 4.528 4.570 -0.042 0.000 0.277 497 c C 2.504 176.384 174.090 -0.349 0.000 1.262 497 c CA 1.149 57.168 56.329 -0.517 0.000 1.718 497 c CB -1.311 41.165 42.510 -0.057 0.000 2.031 497 c HN 0.575 nan 8.230 nan 0.000 0.480 498 I N 0.691 121.202 120.570 -0.099 0.000 2.202 498 I HA -0.119 4.026 4.170 -0.042 0.000 0.242 498 I C 2.460 178.599 176.117 0.037 0.000 1.091 498 I CA 1.700 63.001 61.300 0.002 0.000 1.368 498 I CB -0.347 37.633 38.000 -0.035 0.000 1.058 498 I HN 0.331 nan 8.210 nan 0.000 0.410 499 I N 0.514 121.124 120.570 0.067 0.000 2.252 499 I HA -0.182 3.963 4.170 -0.042 0.000 0.245 499 I C 2.676 178.889 176.117 0.161 0.000 1.102 499 I CA 1.520 62.974 61.300 0.257 0.000 1.385 499 I CB -0.903 37.263 38.000 0.277 0.000 1.064 499 I HN 0.249 nan 8.210 nan 0.000 0.414 500 G N 0.386 109.141 108.800 -0.075 0.000 2.446 500 G HA2 -0.241 3.694 3.960 -0.042 0.000 0.217 500 G HA3 -0.241 3.694 3.960 -0.042 0.000 0.217 500 G C 1.658 176.544 174.900 -0.024 0.000 1.168 500 G CA 1.502 46.547 45.100 -0.091 0.000 0.771 500 G HN 0.280 nan 8.290 nan 0.000 0.551 501 T N 0.350 114.818 114.554 -0.143 0.000 2.788 501 T HA -0.138 4.187 4.350 -0.042 0.000 0.268 501 T C 2.346 177.040 174.700 -0.011 0.000 1.044 501 T CA 1.707 63.817 62.100 0.016 0.000 1.139 501 T CB -0.152 68.753 68.868 0.062 0.000 0.867 501 T HN 0.342 nan 8.240 nan 0.000 0.454 502 Q N 0.310 120.044 119.800 -0.111 0.000 2.046 502 Q HA 0.014 4.329 4.340 -0.042 0.000 0.200 502 Q C 1.712 177.476 176.000 -0.393 0.000 0.975 502 Q CA 1.601 57.188 55.803 -0.361 0.000 0.836 502 Q CB -0.579 27.691 28.738 -0.779 0.000 0.896 502 Q HN 0.537 nan 8.270 nan 0.000 0.428 503 F N -0.186 119.666 119.950 -0.162 0.000 2.365 503 F HA -0.009 4.493 4.527 -0.042 0.000 0.300 503 F C 2.296 178.156 175.800 0.100 0.000 1.090 503 F CA 1.042 59.008 58.000 -0.056 0.000 1.408 503 F CB -0.143 38.760 39.000 -0.161 0.000 1.060 503 F HN 0.094 nan 8.300 nan 0.000 0.534 504 R N 1.118 121.742 120.500 0.207 0.000 2.075 504 R HA -0.096 4.219 4.340 -0.042 0.000 0.232 504 R C 1.873 178.220 176.300 0.079 0.000 1.126 504 R CA 1.657 57.852 56.100 0.159 0.000 0.963 504 R CB -0.399 29.989 30.300 0.147 0.000 0.858 504 R HN 0.108 nan 8.270 nan 0.000 0.435 505 K N 0.029 120.449 120.400 0.032 0.000 2.097 505 K HA -0.039 4.256 4.320 -0.042 0.000 0.205 505 K C 1.978 178.595 176.600 0.028 0.000 1.050 505 K CA 1.425 57.719 56.287 0.011 0.000 0.938 505 K CB -0.127 32.354 32.500 -0.032 0.000 0.718 505 K HN 0.200 nan 8.250 nan 0.000 0.442 506 L N 0.549 121.776 121.223 0.007 0.000 2.201 506 L HA -0.105 4.210 4.340 -0.042 0.000 0.212 506 L C 2.712 179.686 176.870 0.173 0.000 1.105 506 L CA 0.823 55.712 54.840 0.083 0.000 0.775 506 L CB -0.282 41.792 42.059 0.024 0.000 0.913 506 L HN 0.188 nan 8.230 nan 0.000 0.440 507 R N 0.366 120.870 120.500 0.007 0.000 2.057 507 R HA -0.099 4.216 4.340 -0.042 0.000 0.224 507 R C 1.462 177.624 176.300 -0.229 0.000 1.136 507 R CA 1.458 57.285 56.100 -0.454 0.000 0.968 507 R CB -0.053 29.722 30.300 -0.875 0.000 0.863 507 R HN 0.239 nan 8.270 nan 0.000 0.433 508 D N -0.585 119.793 120.400 -0.036 0.000 2.312 508 D HA -0.018 4.597 4.640 -0.042 0.000 0.211 508 D C 1.274 177.694 176.300 0.199 0.000 0.964 508 D CA 1.058 55.122 54.000 0.106 0.000 0.877 508 D CB -0.043 40.784 40.800 0.045 0.000 0.924 508 D HN 0.473 nan 8.370 nan 0.000 0.515 509 G N -0.245 108.690 108.800 0.225 0.000 3.233 509 G HA2 -0.033 3.902 3.960 -0.042 0.000 0.234 509 G HA3 -0.033 3.902 3.960 -0.042 0.000 0.234 509 G C -0.057 175.178 174.900 0.559 0.000 1.137 509 G CA -0.276 45.024 45.100 0.333 0.000 0.763 509 G HN -0.014 nan 8.290 nan 0.000 0.549 510 D N 0.295 120.984 120.400 0.482 0.000 2.359 510 D HA 0.191 4.806 4.640 -0.042 0.000 0.230 510 D C 1.461 177.750 176.300 -0.019 0.000 1.118 510 D CA -0.707 53.489 54.000 0.327 0.000 0.844 510 D CB 1.177 42.225 40.800 0.414 0.000 1.059 510 D HN 0.081 nan 8.370 nan 0.000 0.493 511 R N 2.801 122.996 120.500 -0.507 0.000 2.193 511 R HA -0.057 4.258 4.340 -0.042 0.000 0.229 511 R C 0.628 176.452 176.300 -0.794 0.000 1.110 511 R CA 1.106 56.508 56.100 -1.163 0.000 0.988 511 R CB -0.041 29.606 30.300 -1.088 0.000 0.871 511 R HN 0.368 nan 8.270 nan 0.000 0.458 512 F N -0.205 119.580 119.950 -0.275 0.000 2.730 512 F HA 0.164 4.666 4.527 -0.042 0.000 0.295 512 F C 0.283 176.082 175.800 -0.002 0.000 1.143 512 F CA -0.769 57.133 58.000 -0.164 0.000 1.367 512 F CB -0.066 38.811 39.000 -0.205 0.000 0.970 512 F HN 0.107 nan 8.300 nan 0.000 0.514 513 W N 2.722 124.006 121.300 -0.026 0.000 2.223 513 W HA -0.106 4.529 4.660 -0.042 0.000 0.334 513 W C 1.306 177.857 176.519 0.053 0.000 1.334 513 W CA -0.687 56.655 57.345 -0.006 0.000 1.246 513 W CB 0.488 29.831 29.460 -0.195 0.000 1.184 513 W HN 0.520 nan 8.180 nan 0.000 0.563 514 W N 4.529 125.390 121.300 -0.732 0.000 2.387 514 W HA -0.190 4.445 4.660 -0.042 0.000 0.272 514 W C 0.407 176.802 176.519 -0.206 0.000 1.224 514 W CA 1.350 58.509 57.345 -0.310 0.000 1.210 514 W CB -0.680 28.558 29.460 -0.370 0.000 1.125 514 W HN 0.482 nan 8.180 nan 0.000 0.572 515 E N 0.553 120.053 120.200 -1.167 0.000 2.474 515 E HA -0.046 4.279 4.350 -0.042 0.000 0.195 515 E C 0.111 176.667 176.600 -0.072 0.000 1.039 515 E CA -0.319 55.630 56.400 -0.752 0.000 0.881 515 E CB -0.189 29.066 29.700 -0.741 0.000 0.970 515 E HN -0.005 nan 8.360 nan 0.000 0.486 516 N N 2.378 121.104 118.700 0.044 0.000 2.497 516 N HA -0.058 4.657 4.740 -0.042 0.000 0.268 516 N C -0.459 175.082 175.510 0.051 0.000 1.171 516 N CA -0.064 53.100 53.050 0.190 0.000 0.948 516 N CB 0.776 39.334 38.487 0.117 0.000 1.069 516 N HN -0.111 nan 8.380 nan 0.000 0.460 517 E N 2.486 122.722 120.200 0.059 0.000 2.585 517 E HA 0.214 4.539 4.350 -0.042 0.000 0.252 517 E C 1.025 177.602 176.600 -0.038 0.000 0.981 517 E CA 1.469 57.873 56.400 0.008 0.000 0.943 517 E CB -0.471 29.234 29.700 0.009 0.000 0.923 517 E HN 0.748 nan 8.360 nan 0.000 0.486 518 G N 2.500 111.275 108.800 -0.042 0.000 2.194 518 G HA2 -0.280 3.655 3.960 -0.042 0.000 0.236 518 G HA3 -0.280 3.655 3.960 -0.042 0.000 0.236 518 G C 0.843 175.671 174.900 -0.119 0.000 0.987 518 G CA 0.154 45.209 45.100 -0.076 0.000 0.635 518 G HN 0.477 nan 8.290 nan 0.000 0.520 519 V N -0.489 119.349 119.914 -0.126 0.000 2.331 519 V HA 0.403 4.498 4.120 -0.042 0.000 0.242 519 V C 1.143 177.015 176.094 -0.371 0.000 1.034 519 V CA 1.745 63.898 62.300 -0.244 0.000 1.027 519 V CB -0.289 31.428 31.823 -0.177 0.000 0.667 519 V HN 0.256 nan 8.190 nan 0.000 0.457 520 F N -0.474 119.471 119.950 -0.008 0.000 2.579 520 F HA 0.549 5.051 4.527 -0.042 0.000 0.324 520 F C 0.655 176.411 175.800 -0.073 0.000 1.058 520 F CA -0.759 57.226 58.000 -0.025 0.000 0.944 520 F CB 1.540 40.565 39.000 0.040 0.000 1.245 520 F HN -0.041 nan 8.300 nan 0.000 0.477 521 S N 1.912 117.662 115.700 0.082 0.000 2.608 521 S HA 0.143 4.588 4.470 -0.042 0.000 0.261 521 S C 1.134 175.734 174.600 0.001 0.000 1.314 521 S CA -0.620 57.574 58.200 -0.011 0.000 0.992 521 S CB 0.666 63.813 63.200 -0.087 0.000 0.935 521 S HN 0.919 nan 8.310 nan 0.000 0.564 522 M N 0.442 120.033 119.600 -0.015 0.000 2.159 522 M HA -0.168 4.287 4.480 -0.042 0.000 0.263 522 M C 1.874 178.162 176.300 -0.020 0.000 1.063 522 M CA 1.740 57.035 55.300 -0.009 0.000 1.110 522 M CB -0.557 32.037 32.600 -0.011 0.000 1.374 522 M HN 0.845 nan 8.290 nan 0.000 0.411 523 Q N 0.137 119.906 119.800 -0.051 0.000 2.167 523 Q HA -0.144 4.171 4.340 -0.042 0.000 0.202 523 Q C 1.892 177.828 176.000 -0.107 0.000 0.970 523 Q CA 1.565 57.330 55.803 -0.063 0.000 0.855 523 Q CB -0.308 28.385 28.738 -0.075 0.000 0.911 523 Q HN 0.625 nan 8.270 nan 0.000 0.438 524 Q N 0.091 119.764 119.800 -0.211 0.000 2.083 524 Q HA -0.018 4.297 4.340 -0.042 0.000 0.198 524 Q C 2.073 178.010 176.000 -0.105 0.000 0.969 524 Q CA 0.869 56.443 55.803 -0.382 0.000 0.838 524 Q CB 0.043 28.446 28.738 -0.559 0.000 0.900 524 Q HN 0.283 nan 8.270 nan 0.000 0.436 525 R N 0.395 120.891 120.500 -0.006 0.000 2.096 525 R HA -0.156 4.159 4.340 -0.042 0.000 0.235 525 R C 2.201 178.597 176.300 0.161 0.000 1.127 525 R CA 1.304 57.483 56.100 0.130 0.000 0.968 525 R CB -0.120 30.242 30.300 0.103 0.000 0.861 525 R HN 0.391 nan 8.270 nan 0.000 0.440 526 Q N -0.139 119.709 119.800 0.080 0.000 2.119 526 Q HA -0.070 4.245 4.340 -0.042 0.000 0.201 526 Q C 2.146 178.189 176.000 0.072 0.000 0.972 526 Q CA 1.402 57.251 55.803 0.076 0.000 0.847 526 Q CB -0.036 28.728 28.738 0.043 0.000 0.903 526 Q HN 0.345 nan 8.270 nan 0.000 0.433 527 A N 0.746 123.611 122.820 0.075 0.000 1.929 527 A HA -0.103 4.192 4.320 -0.042 0.000 0.216 527 A C 2.031 179.654 177.584 0.064 0.000 1.176 527 A CA 0.836 52.936 52.037 0.105 0.000 0.628 527 A CB -0.500 18.644 19.000 0.241 0.000 0.816 527 A HN 0.258 nan 8.150 nan 0.000 0.444 528 L N -0.672 120.572 121.223 0.034 0.000 2.093 528 L HA -0.149 4.166 4.340 -0.042 0.000 0.208 528 L C 2.905 179.663 176.870 -0.187 0.000 1.085 528 L CA 0.852 55.610 54.840 -0.137 0.000 0.755 528 L CB -0.456 41.417 42.059 -0.309 0.000 0.904 528 L HN 0.417 nan 8.230 nan 0.000 0.435 529 A N -0.858 121.934 122.820 -0.047 0.000 2.234 529 A HA -0.190 4.105 4.320 -0.042 0.000 0.216 529 A C 2.078 179.645 177.584 -0.028 0.000 1.167 529 A CA 1.200 53.234 52.037 -0.005 0.000 0.698 529 A CB -0.284 18.802 19.000 0.143 0.000 0.779 529 A HN 0.488 nan 8.150 nan 0.000 0.475 530 Q N -0.631 119.145 119.800 -0.039 0.000 2.392 530 Q HA 0.129 4.444 4.340 -0.042 0.000 0.203 530 Q C 0.378 176.339 176.000 -0.065 0.000 0.917 530 Q CA -0.059 55.723 55.803 -0.035 0.000 0.939 530 Q CB -0.141 28.587 28.738 -0.017 0.000 1.063 530 Q HN 0.892 nan 8.270 nan 0.000 0.516 531 I N -0.455 120.051 120.570 -0.107 0.000 2.696 531 I HA 0.197 4.342 4.170 -0.042 0.000 0.284 531 I C 0.040 176.094 176.117 -0.105 0.000 1.129 531 I CA -0.112 61.118 61.300 -0.117 0.000 1.410 531 I CB 1.040 38.943 38.000 -0.162 0.000 1.399 531 I HN -0.132 nan 8.210 nan 0.000 0.579 532 S N 4.698 120.341 115.700 -0.095 0.000 2.541 532 S HA 0.453 4.898 4.470 -0.042 0.000 0.271 532 S C 0.201 174.741 174.600 -0.099 0.000 1.133 532 S CA -0.826 57.316 58.200 -0.097 0.000 0.876 532 S CB 1.474 64.618 63.200 -0.093 0.000 1.105 532 S HN 0.904 nan 8.310 nan 0.000 0.470 533 L N 1.982 123.135 121.223 -0.117 0.000 2.083 533 L HA 0.239 4.554 4.340 -0.042 0.000 0.209 533 L C -1.183 175.626 176.870 -0.102 0.000 1.083 533 L CA 1.600 56.377 54.840 -0.106 0.000 0.752 533 L CB -1.682 40.296 42.059 -0.136 0.000 0.899 533 L HN 0.573 nan 8.230 nan 0.000 0.433 534 P HA -0.220 nan 4.420 nan 0.000 0.216 534 P C 1.516 178.783 177.300 -0.055 0.000 1.154 534 P CA 1.490 64.538 63.100 -0.088 0.000 0.865 534 P CB -0.049 31.583 31.700 -0.113 0.000 0.789 535 R N -0.060 120.404 120.500 -0.061 0.000 2.075 535 R HA -0.011 4.304 4.340 -0.042 0.000 0.232 535 R C 2.206 178.479 176.300 -0.045 0.000 1.126 535 R CA 1.327 57.398 56.100 -0.049 0.000 0.963 535 R CB -1.463 28.803 30.300 -0.056 0.000 0.858 535 R HN 0.129 nan 8.270 nan 0.000 0.435 536 I N -0.033 120.505 120.570 -0.053 0.000 2.361 536 I HA -0.265 3.880 4.170 -0.042 0.000 0.251 536 I C 1.951 178.049 176.117 -0.033 0.000 1.133 536 I CA 1.208 62.479 61.300 -0.048 0.000 1.413 536 I CB -0.183 37.786 38.000 -0.053 0.000 1.073 536 I HN 0.182 nan 8.210 nan 0.000 0.424 537 I N -0.209 120.346 120.570 -0.026 0.000 2.233 537 I HA -0.295 3.850 4.170 -0.042 0.000 0.243 537 I C 2.650 178.765 176.117 -0.002 0.000 1.093 537 I CA 1.068 62.362 61.300 -0.009 0.000 1.380 537 I CB -0.361 37.643 38.000 0.007 0.000 1.067 537 I HN 0.314 nan 8.210 nan 0.000 0.413 538 c N 0.812 119.412 118.600 -0.001 0.000 2.401 538 c HA -0.204 4.341 4.570 -0.042 0.000 0.276 538 c C 2.316 176.402 174.090 -0.006 0.000 1.233 538 c CA 0.976 57.307 56.329 0.005 0.000 1.753 538 c CB -1.057 41.455 42.510 0.002 0.000 2.029 538 c HN 0.526 nan 8.230 nan 0.000 0.478 539 D N 0.151 120.540 120.400 -0.017 0.000 2.277 539 D HA -0.028 4.587 4.640 -0.042 0.000 0.208 539 D C 1.285 177.573 176.300 -0.020 0.000 0.962 539 D CA 0.909 54.895 54.000 -0.022 0.000 0.865 539 D CB -0.447 40.333 40.800 -0.034 0.000 0.939 539 D HN 0.593 nan 8.370 nan 0.000 0.510 540 N N -0.015 118.674 118.700 -0.019 0.000 2.238 540 N HA 0.032 4.747 4.740 -0.042 0.000 0.235 540 N C 0.220 175.720 175.510 -0.016 0.000 1.209 540 N CA 0.160 53.199 53.050 -0.018 0.000 0.879 540 N CB 1.711 40.185 38.487 -0.022 0.000 1.136 540 N HN 0.201 nan 8.380 nan 0.000 0.517 541 T N -4.812 109.735 114.554 -0.012 0.000 2.696 541 T HA 0.474 4.799 4.350 -0.042 0.000 0.291 541 T C 0.706 175.400 174.700 -0.009 0.000 1.095 541 T CA -0.622 61.471 62.100 -0.012 0.000 1.026 541 T CB 1.497 70.358 68.868 -0.012 0.000 1.390 541 T HN -0.127 nan 8.240 nan 0.000 0.513 542 G N -0.049 108.743 108.800 -0.014 0.000 3.371 542 G HA2 0.417 4.352 3.960 -0.042 0.000 0.248 542 G HA3 0.417 4.352 3.960 -0.042 0.000 0.248 542 G C 0.170 175.063 174.900 -0.012 0.000 1.161 542 G CA -0.426 44.667 45.100 -0.012 0.000 0.796 542 G HN 0.716 nan 8.290 nan 0.000 0.539 543 I N 1.523 122.091 120.570 -0.003 0.000 2.395 543 I HA 0.193 4.338 4.170 -0.042 0.000 0.289 543 I C 1.539 177.685 176.117 0.049 0.000 1.023 543 I CA -0.133 61.175 61.300 0.013 0.000 1.350 543 I CB 1.894 39.910 38.000 0.026 0.000 1.409 543 I HN 0.103 nan 8.210 nan 0.000 0.507 544 T N -0.800 113.797 114.554 0.071 0.000 3.010 544 T HA 0.163 4.488 4.350 -0.042 0.000 0.257 544 T C 0.555 175.334 174.700 0.133 0.000 1.020 544 T CA -0.058 62.091 62.100 0.082 0.000 0.938 544 T CB 0.108 69.011 68.868 0.058 0.000 1.049 544 T HN 0.486 nan 8.240 nan 0.000 0.522 545 T N 1.714 116.401 114.554 0.221 0.000 2.809 545 T HA 0.722 5.048 4.350 -0.042 0.000 0.284 545 T C -1.050 173.908 174.700 0.429 0.000 0.992 545 T CA -0.486 61.801 62.100 0.311 0.000 0.957 545 T CB 2.158 71.263 68.868 0.394 0.000 0.942 545 T HN 0.101 nan 8.240 nan 0.000 0.439 546 V N 2.122 122.236 119.914 0.333 0.000 3.126 546 V HA 0.578 4.673 4.120 -0.042 0.000 0.314 546 V C -0.032 176.020 176.094 -0.071 0.000 1.138 546 V CA -0.743 61.712 62.300 0.260 0.000 1.034 546 V CB 2.645 34.537 31.823 0.116 0.000 1.075 546 V HN 0.975 nan 8.190 nan 0.000 0.442 547 S N 2.008 117.433 115.700 -0.458 0.000 2.579 547 S HA 0.268 4.713 4.470 -0.042 0.000 0.275 547 S C -0.199 174.118 174.600 -0.471 0.000 1.345 547 S CA -0.293 57.330 58.200 -0.961 0.000 1.031 547 S CB 0.291 63.066 63.200 -0.708 0.000 0.892 547 S HN 0.567 nan 8.310 nan 0.000 0.529 548 K N 1.725 121.864 120.400 -0.436 0.000 2.168 548 K HA 0.174 4.469 4.320 -0.042 0.000 0.258 548 K C 0.277 176.744 176.600 -0.220 0.000 1.010 548 K CA -0.521 55.622 56.287 -0.241 0.000 0.929 548 K CB 0.352 32.742 32.500 -0.183 0.000 0.998 548 K HN 0.452 nan 8.250 nan 0.000 0.479 549 N N 1.875 120.481 118.700 -0.157 0.000 2.503 549 N HA -0.014 4.701 4.740 -0.042 0.000 0.267 549 N C -0.462 174.980 175.510 -0.112 0.000 1.214 549 N CA -0.061 52.901 53.050 -0.146 0.000 0.959 549 N CB 0.630 39.052 38.487 -0.109 0.000 1.142 549 N HN 0.471 nan 8.380 nan 0.000 0.455 550 N N 2.297 120.943 118.700 -0.089 0.000 2.442 550 N HA 0.010 4.725 4.740 -0.042 0.000 0.265 550 N C 1.168 176.569 175.510 -0.181 0.000 1.138 550 N CA -0.009 52.977 53.050 -0.106 0.000 0.956 550 N CB 0.446 38.928 38.487 -0.009 0.000 1.067 550 N HN 0.607 nan 8.380 nan 0.000 0.474 551 I N 3.258 123.627 120.570 -0.336 0.000 2.454 551 I HA -0.222 3.923 4.170 -0.042 0.000 0.254 551 I C 0.605 176.541 176.117 -0.302 0.000 1.156 551 I CA 1.068 62.136 61.300 -0.386 0.000 1.433 551 I CB -0.007 37.699 38.000 -0.491 0.000 1.082 551 I HN 0.400 nan 8.210 nan 0.000 0.432 552 F N -0.253 119.711 119.950 0.024 0.000 2.661 552 F HA -0.043 4.459 4.527 -0.041 0.000 0.298 552 F C 2.097 177.915 175.800 0.031 0.000 1.137 552 F CA 0.777 58.811 58.000 0.057 0.000 1.454 552 F CB -0.545 38.521 39.000 0.110 0.000 1.103 552 F HN 0.114 nan 8.300 nan 0.000 0.577 553 M N -1.450 118.222 119.600 0.120 0.000 2.718 553 M HA 0.133 4.588 4.480 -0.042 0.000 0.259 553 M C 0.739 177.050 176.300 0.018 0.000 1.240 553 M CA 0.421 55.762 55.300 0.069 0.000 1.210 553 M CB 0.239 32.864 32.600 0.043 0.000 1.281 553 M HN -0.263 nan 8.290 nan 0.000 0.515 554 S N 2.441 118.113 115.700 -0.046 0.000 2.546 554 S HA 0.009 4.454 4.470 -0.042 0.000 0.290 554 S C 0.232 174.802 174.600 -0.049 0.000 1.290 554 S CA 0.534 58.674 58.200 -0.101 0.000 1.069 554 S CB -0.013 63.038 63.200 -0.247 0.000 0.846 554 S HN 0.692 nan 8.310 nan 0.000 0.495 555 N N -0.480 118.236 118.700 0.026 0.000 1.872 555 N HA 0.011 4.726 4.740 -0.042 0.000 0.223 555 N C -0.601 175.035 175.510 0.210 0.000 1.424 555 N CA -0.306 52.821 53.050 0.127 0.000 0.710 555 N CB 0.425 38.957 38.487 0.074 0.000 1.074 555 N HN 0.317 nan 8.380 nan 0.000 0.544 556 S N 0.522 116.351 115.700 0.215 0.000 2.461 556 S HA 0.349 4.794 4.470 -0.042 0.000 0.322 556 S C -1.319 173.415 174.600 0.223 0.000 1.063 556 S CA -0.607 57.696 58.200 0.171 0.000 1.120 556 S CB -0.077 63.165 63.200 0.070 0.000 0.968 556 S HN 0.303 nan 8.310 nan 0.000 0.467 557 Y N 7.298 127.541 120.300 -0.096 0.000 2.319 557 Y HA 0.476 5.001 4.550 -0.042 0.000 0.328 557 Y C -1.265 174.514 175.900 -0.202 0.000 1.133 557 Y CA -1.566 56.269 58.100 -0.442 0.000 1.265 557 Y CB 1.114 38.983 38.460 -0.985 0.000 1.218 557 Y HN 0.541 nan 8.280 nan 0.000 0.508 558 P HA 0.053 nan 4.420 nan 0.000 0.251 558 P C 1.063 178.136 177.300 -0.378 0.000 1.223 558 P CA 0.320 62.665 63.100 -1.258 0.000 0.796 558 P CB 0.405 31.415 31.700 -1.151 0.000 1.068 559 R N 2.034 122.415 120.500 -0.199 0.000 2.112 559 R HA -0.152 4.163 4.340 -0.042 0.000 0.242 559 R C 0.847 177.136 176.300 -0.018 0.000 1.137 559 R CA 2.067 58.122 56.100 -0.075 0.000 0.944 559 R CB -1.058 29.213 30.300 -0.048 0.000 0.857 559 R HN 0.071 nan 8.270 nan 0.000 0.435 560 D N -1.112 119.325 120.400 0.062 0.000 2.395 560 D HA 0.110 4.726 4.640 -0.042 0.000 0.226 560 D C -0.676 175.482 176.300 -0.237 0.000 1.146 560 D CA 0.182 54.145 54.000 -0.063 0.000 0.830 560 D CB -0.008 40.733 40.800 -0.099 0.000 0.958 560 D HN 0.046 nan 8.370 nan 0.000 0.501 561 F N 0.498 120.355 119.950 -0.155 0.000 2.522 561 F HA 0.453 4.955 4.527 -0.042 0.000 0.324 561 F C 0.418 176.167 175.800 -0.086 0.000 1.077 561 F CA -1.272 56.658 58.000 -0.118 0.000 0.944 561 F CB 1.756 40.669 39.000 -0.146 0.000 1.175 561 F HN -0.293 nan 8.300 nan 0.000 0.468 562 V N -0.374 119.579 119.914 0.064 0.000 3.040 562 V HA 0.608 4.703 4.120 -0.042 0.000 0.312 562 V C -0.804 175.340 176.094 0.083 0.000 1.115 562 V CA -1.120 61.205 62.300 0.042 0.000 0.998 562 V CB 1.814 33.629 31.823 -0.014 0.000 1.042 562 V HN 0.629 nan 8.190 nan 0.000 0.433 563 N N 0.388 119.128 118.700 0.065 0.000 2.529 563 N HA 0.253 4.968 4.740 -0.042 0.000 0.278 563 N C 1.089 176.628 175.510 0.049 0.000 1.146 563 N CA -0.192 52.902 53.050 0.074 0.000 0.980 563 N CB 1.461 39.983 38.487 0.058 0.000 1.124 563 N HN 0.930 nan 8.380 nan 0.000 0.458 564 c N 0.484 119.115 118.600 0.053 0.000 2.398 564 c HA -0.169 4.376 4.570 -0.042 0.000 0.279 564 c C 2.489 176.587 174.090 0.014 0.000 1.250 564 c CA 1.458 57.806 56.329 0.030 0.000 1.786 564 c CB -1.289 41.241 42.510 0.033 0.000 2.018 564 c HN 0.816 nan 8.230 nan 0.000 0.494 565 S N 0.326 116.036 115.700 0.016 0.000 2.507 565 S HA -0.129 4.316 4.470 -0.042 0.000 0.235 565 S C 1.445 176.047 174.600 0.003 0.000 0.988 565 S CA 1.562 59.767 58.200 0.008 0.000 0.944 565 S CB -0.843 62.364 63.200 0.011 0.000 0.762 565 S HN 0.835 nan 8.310 nan 0.000 0.526 566 T N -0.785 113.771 114.554 0.003 0.000 3.081 566 T HA 0.317 4.642 4.350 -0.042 0.000 0.250 566 T C 0.435 175.129 174.700 -0.011 0.000 1.100 566 T CA -0.338 61.760 62.100 -0.004 0.000 1.038 566 T CB -0.268 68.598 68.868 -0.004 0.000 0.962 566 T HN 0.116 nan 8.240 nan 0.000 0.516 567 L N 3.676 124.891 121.223 -0.013 0.000 2.292 567 L HA 0.486 4.801 4.340 -0.042 0.000 0.284 567 L C -2.055 174.803 176.870 -0.020 0.000 1.065 567 L CA -2.667 52.160 54.840 -0.022 0.000 0.806 567 L CB 0.598 42.641 42.059 -0.027 0.000 1.175 567 L HN 0.125 nan 8.230 nan 0.000 0.431 568 P HA 0.217 nan 4.420 nan 0.000 0.271 568 P C -0.710 176.575 177.300 -0.026 0.000 1.216 568 P CA -0.378 62.711 63.100 -0.019 0.000 0.776 568 P CB 1.150 32.841 31.700 -0.016 0.000 0.881 569 A N 3.082 125.888 122.820 -0.023 0.000 2.252 569 A HA 0.465 4.760 4.320 -0.042 0.000 0.305 569 A C -0.333 177.230 177.584 -0.035 0.000 1.097 569 A CA -0.714 51.304 52.037 -0.032 0.000 0.849 569 A CB 0.178 19.161 19.000 -0.028 0.000 1.142 569 A HN 0.590 nan 8.150 nan 0.000 0.499 570 L N 1.214 122.405 121.223 -0.054 0.000 2.315 570 L HA 0.300 4.615 4.340 -0.042 0.000 0.283 570 L C -0.062 176.785 176.870 -0.038 0.000 1.089 570 L CA -0.114 54.690 54.840 -0.061 0.000 0.833 570 L CB 0.106 42.092 42.059 -0.121 0.000 1.170 570 L HN 0.654 nan 8.230 nan 0.000 0.442 571 N N 5.092 123.802 118.700 0.018 0.000 2.415 571 N HA 0.138 4.853 4.740 -0.042 0.000 0.246 571 N C 0.393 175.985 175.510 0.136 0.000 1.078 571 N CA -0.038 53.044 53.050 0.053 0.000 0.942 571 N CB 0.468 38.992 38.487 0.063 0.000 1.140 571 N HN 0.812 nan 8.380 nan 0.000 0.501 572 L N 2.444 123.714 121.223 0.078 0.000 2.627 572 L HA 0.080 4.395 4.340 -0.042 0.000 0.233 572 L C 1.993 179.061 176.870 0.331 0.000 1.144 572 L CA 0.068 55.014 54.840 0.176 0.000 0.892 572 L CB -0.370 41.645 42.059 -0.075 0.000 1.039 572 L HN 0.560 nan 8.230 nan 0.000 0.442 573 A N 0.662 123.602 122.820 0.201 0.000 1.927 573 A HA -0.252 4.043 4.320 -0.042 0.000 0.220 573 A C 2.420 180.090 177.584 0.144 0.000 1.185 573 A CA 2.301 54.419 52.037 0.134 0.000 0.639 573 A CB -0.529 18.516 19.000 0.075 0.000 0.820 573 A HN 0.530 nan 8.150 nan 0.000 0.451 574 S N -1.871 113.924 115.700 0.158 0.000 2.547 574 S HA -0.112 4.333 4.470 -0.042 0.000 0.235 574 S C 1.373 175.914 174.600 -0.098 0.000 0.980 574 S CA 0.488 58.670 58.200 -0.030 0.000 0.941 574 S CB -0.457 62.618 63.200 -0.208 0.000 0.763 574 S HN 0.766 nan 8.310 nan 0.000 0.532 575 W N 2.098 123.424 121.300 0.043 0.000 3.197 575 W HA 0.290 4.925 4.660 -0.042 0.000 0.274 575 W C 1.049 177.560 176.519 -0.013 0.000 1.297 575 W CA -0.588 56.803 57.345 0.077 0.000 1.662 575 W CB -0.017 29.494 29.460 0.085 0.000 1.106 575 W HN 0.236 nan 8.180 nan 0.000 0.663 576 R N 2.619 123.176 120.500 0.096 0.000 2.421 576 R HA -0.019 4.296 4.340 -0.042 0.000 0.305 576 R C 0.036 176.330 176.300 -0.009 0.000 1.039 576 R CA 0.302 56.381 56.100 -0.035 0.000 1.003 576 R CB 0.334 30.616 30.300 -0.030 0.000 0.959 576 R HN -0.081 nan 8.270 nan 0.000 0.427 577 E N 3.883 124.064 120.200 -0.030 0.000 2.052 577 E HA 0.255 4.580 4.350 -0.042 0.000 0.283 577 E C -0.804 175.812 176.600 0.026 0.000 1.071 577 E CA -0.419 56.024 56.400 0.071 0.000 0.851 577 E CB 0.830 30.665 29.700 0.224 0.000 1.066 577 E HN 0.738 nan 8.360 nan 0.000 0.396 578 A N 0.000 122.836 122.820 0.026 0.000 2.254 578 A HA 0.000 4.295 4.320 -0.042 0.000 0.244 578 A CA 0.000 52.046 52.037 0.014 0.000 0.836 578 A CB 0.000 19.005 19.000 0.008 0.000 0.831 578 A HN 0.000 nan 8.150 nan 0.000 0.486