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 1p8j_1_A DATA FIRST_RESID 109 DATA SEQUENCE VYQEPTDPKF PQQWYLSGVT QRDLNVKEAW AQGFTGHGIV VSILDDGIEK DATA SEQUENCE NHPDLAGNYD PGASFDVNDQ DPDPQPRYTQ MNDNRHGTRC AGEVAAVANN DATA SEQUENCE GVcGVGVAYN ARIGGVRMLD GEVTDAVEAR SLGLNPNHIH IYSASWGPED DATA SEQUENCE DGKTVDGPAR LAEEAFFRGV SQGRGGLGSI FVWASGNGGR EHDScNCDGY DATA SEQUENCE TNSIYTLSIS SATQFGNVPW YSEAcSSTLA TTYSSGNQNE KQIVTTDLRQ DATA SEQUENCE KcTESHTGTS ASAPLAAGII ALTLEANKNL TWRDMQHLVV QTSKPAHLNA DATA SEQUENCE DDWATNGVGR KVSHSYGYGL LDAGAMVALA QNWTTVAPQR KcIVEILVEP DATA SEQUENCE KDIGKRLEVR KAVTAcLGEP NHITRLEHVQ ARLTLSYNRR GDLAIHLISP DATA SEQUENCE MGTRSTLLAA RPHDYSADGF NDWAFMTTHS WDEDPAGEWV LEIENTSEAN DATA SEQUENCE NYGTLTKFTL VLYGTAPEGL 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 109 V HA 0.000 nan 4.120 nan 0.000 0.244 109 V C 0.000 176.144 176.094 0.083 0.000 1.182 109 V CA 0.000 62.337 62.300 0.062 0.000 1.235 109 V CB 0.000 31.841 31.823 0.029 0.000 1.184 110 Y N 3.559 123.878 120.300 0.031 0.000 2.393 110 Y HA 0.619 5.169 4.550 -0.000 0.000 0.338 110 Y C 0.193 176.119 175.900 0.043 0.000 1.029 110 Y CA -0.041 58.086 58.100 0.045 0.000 1.239 110 Y CB 1.382 39.891 38.460 0.081 0.000 1.170 110 Y HN 0.786 nan 8.280 nan 0.000 0.515 111 Q N 5.746 125.070 119.800 -0.793 0.000 2.347 111 Q HA 0.214 4.554 4.340 -0.000 0.000 0.262 111 Q C -0.633 174.796 176.000 -0.952 0.000 0.980 111 Q CA -0.638 54.800 55.803 -0.608 0.000 0.867 111 Q CB 0.578 29.114 28.738 -0.336 0.000 1.242 111 Q HN 0.787 nan 8.270 nan 0.000 0.453 112 E N 3.653 123.489 120.200 -0.607 0.000 2.428 112 E HA 0.253 4.603 4.350 -0.000 0.000 0.257 112 E C -1.902 174.428 176.600 -0.450 0.000 1.197 112 E CA -1.739 54.443 56.400 -0.363 0.000 0.974 112 E CB -0.133 29.606 29.700 0.065 0.000 0.976 112 E HN 0.348 nan 8.360 nan 0.000 0.463 113 P HA -0.075 nan 4.420 nan 0.000 0.265 113 P C 0.144 177.190 177.300 -0.423 0.000 1.187 113 P CA 0.506 63.171 63.100 -0.726 0.000 0.766 113 P CB 0.514 31.546 31.700 -1.113 0.000 0.820 114 T N -2.411 111.977 114.554 -0.277 0.000 3.069 114 T HA 0.134 4.484 4.350 -0.000 0.000 0.252 114 T C 0.071 174.736 174.700 -0.058 0.000 1.053 114 T CA -0.357 61.669 62.100 -0.123 0.000 0.964 114 T CB -0.699 68.099 68.868 -0.117 0.000 1.005 114 T HN 0.200 nan 8.240 nan 0.000 0.532 115 D N 4.386 124.739 120.400 -0.079 0.000 2.525 115 D HA 0.085 4.725 4.640 -0.000 0.000 0.235 115 D C -1.012 175.332 176.300 0.074 0.000 1.137 115 D CA -1.061 52.935 54.000 -0.007 0.000 0.868 115 D CB 0.805 41.599 40.800 -0.009 0.000 1.180 115 D HN 0.126 nan 8.370 nan 0.000 0.465 116 P HA -0.227 nan 4.420 nan 0.000 0.216 116 P C 0.654 178.006 177.300 0.086 0.000 1.150 116 P CA 1.373 64.511 63.100 0.064 0.000 0.843 116 P CB 0.298 32.025 31.700 0.045 0.000 0.787 117 K N -1.861 118.601 120.400 0.104 0.000 2.374 117 K HA 0.104 4.424 4.320 -0.000 0.000 0.196 117 K C 1.623 178.291 176.600 0.113 0.000 1.023 117 K CA -0.336 56.011 56.287 0.101 0.000 1.103 117 K CB -0.791 31.769 32.500 0.100 0.000 0.848 117 K HN 0.115 nan 8.250 nan 0.000 0.528 118 F N 3.238 123.197 119.950 0.015 0.000 2.161 118 F HA -0.097 4.430 4.527 -0.000 0.000 0.300 118 F C -1.092 174.713 175.800 0.009 0.000 1.089 118 F CA 0.733 58.740 58.000 0.012 0.000 1.282 118 F CB -0.873 38.136 39.000 0.016 0.000 1.010 118 F HN 0.021 nan 8.300 nan 0.000 0.485 119 P HA -0.164 nan 4.420 nan 0.000 0.220 119 P C 1.132 178.329 177.300 -0.172 0.000 1.148 119 P CA 1.674 64.659 63.100 -0.192 0.000 0.803 119 P CB -0.089 31.598 31.700 -0.021 0.000 0.782 120 Q N -0.987 118.763 119.800 -0.083 0.000 2.435 120 Q HA -0.021 4.319 4.340 -0.000 0.000 0.207 120 Q C 0.818 176.812 176.000 -0.011 0.000 0.956 120 Q CA 0.595 56.408 55.803 0.018 0.000 0.917 120 Q CB -0.314 28.471 28.738 0.079 0.000 0.997 120 Q HN 0.420 nan 8.270 nan 0.000 0.497 121 Q N 0.757 120.377 119.800 -0.301 0.000 3.254 121 Q HA -0.036 4.304 4.340 -0.000 0.000 0.315 121 Q C 0.293 175.718 176.000 -0.959 0.000 1.405 121 Q CA -0.316 55.037 55.803 -0.750 0.000 0.966 121 Q CB -0.180 28.161 28.738 -0.661 0.000 1.706 121 Q HN 0.552 nan 8.270 nan 0.000 0.525 122 W N 0.470 121.476 121.300 -0.491 0.000 2.313 122 W HA -0.315 4.345 4.660 -0.000 0.000 0.293 122 W C 0.728 177.043 176.519 -0.341 0.000 1.216 122 W CA 1.050 58.193 57.345 -0.336 0.000 1.223 122 W CB -1.090 28.270 29.460 -0.168 0.000 1.138 122 W HN 0.528 nan 8.180 nan 0.000 0.535 123 Y N -0.778 118.938 120.300 -0.973 0.000 2.457 123 Y HA 0.194 4.744 4.550 -0.000 0.000 0.292 123 Y C 2.446 178.151 175.900 -0.326 0.000 1.125 123 Y CA 0.585 58.197 58.100 -0.814 0.000 1.254 123 Y CB -1.367 36.378 38.460 -1.191 0.000 1.012 123 Y HN -0.128 nan 8.280 nan 0.000 0.555 124 L N -0.527 120.289 121.223 -0.678 0.000 2.127 124 L HA 0.085 4.425 4.340 -0.000 0.000 0.203 124 L C 0.636 177.372 176.870 -0.223 0.000 1.080 124 L CA 1.000 55.655 54.840 -0.309 0.000 0.768 124 L CB 0.031 41.986 42.059 -0.174 0.000 0.924 124 L HN 0.243 nan 8.230 nan 0.000 0.444 125 S N -0.706 114.827 115.700 -0.278 0.000 2.652 125 S HA 0.619 5.089 4.470 -0.000 0.000 0.273 125 S C -0.612 173.896 174.600 -0.155 0.000 1.172 125 S CA -0.497 57.616 58.200 -0.146 0.000 1.009 125 S CB 1.312 64.502 63.200 -0.017 0.000 1.094 125 S HN 0.207 nan 8.310 nan 0.000 0.471 126 G N 1.388 110.154 108.800 -0.057 0.000 2.498 126 G HA2 0.544 4.504 3.960 -0.000 0.000 0.312 126 G HA3 0.544 4.504 3.960 -0.000 0.000 0.312 126 G C 0.961 175.861 174.900 0.000 0.000 1.230 126 G CA -0.271 44.821 45.100 -0.013 0.000 0.968 126 G HN 1.381 nan 8.290 nan 0.000 0.481 127 V N -1.517 118.399 119.914 0.005 0.000 2.913 127 V HA 0.017 4.137 4.120 -0.000 0.000 0.260 127 V C 1.938 178.034 176.094 0.004 0.000 1.098 127 V CA 2.361 64.665 62.300 0.007 0.000 1.121 127 V CB -0.321 31.506 31.823 0.006 0.000 0.714 127 V HN 0.651 nan 8.190 nan 0.000 0.487 128 T N -1.408 113.148 114.554 0.003 0.000 3.044 128 T HA 0.116 4.466 4.350 -0.000 0.000 0.250 128 T C 1.196 175.885 174.700 -0.017 0.000 1.081 128 T CA 0.948 63.042 62.100 -0.010 0.000 1.040 128 T CB -0.220 68.644 68.868 -0.008 0.000 0.962 128 T HN 0.607 nan 8.240 nan 0.000 0.506 129 Q N -0.160 119.641 119.800 0.002 0.000 2.342 129 Q HA -0.110 4.230 4.340 -0.000 0.000 0.196 129 Q C -0.221 175.799 176.000 0.034 0.000 0.629 129 Q CA 0.747 56.557 55.803 0.011 0.000 1.365 129 Q CB -0.961 27.779 28.738 0.003 0.000 1.406 129 Q HN 0.319 nan 8.270 nan 0.000 0.840 130 R N 2.435 122.957 120.500 0.036 0.000 2.893 130 R HA 0.240 4.580 4.340 -0.000 0.000 0.243 130 R C -0.295 176.084 176.300 0.132 0.000 1.481 130 R CA 0.601 56.769 56.100 0.113 0.000 1.250 130 R CB -0.473 29.878 30.300 0.085 0.000 1.213 130 R HN 0.418 nan 8.270 nan 0.000 0.609 131 D N -1.654 118.875 120.400 0.216 0.000 2.812 131 D HA 0.123 4.763 4.640 -0.000 0.000 0.318 131 D C 0.593 177.050 176.300 0.261 0.000 1.234 131 D CA -0.862 53.262 54.000 0.207 0.000 0.989 131 D CB 0.385 41.199 40.800 0.023 0.000 1.442 131 D HN 0.032 nan 8.370 nan 0.000 0.537 132 L N -0.658 120.661 121.223 0.160 0.000 2.599 132 L HA 0.173 4.513 4.340 -0.000 0.000 0.230 132 L C 0.425 177.274 176.870 -0.034 0.000 1.141 132 L CA 0.157 55.039 54.840 0.070 0.000 0.877 132 L CB -1.185 40.907 42.059 0.056 0.000 1.009 132 L HN 0.558 nan 8.230 nan 0.000 0.447 133 N N -0.286 118.385 118.700 -0.049 0.000 2.727 133 N HA -0.185 4.555 4.740 -0.000 0.000 0.249 133 N C 0.874 176.260 175.510 -0.207 0.000 1.048 133 N CA 0.798 53.790 53.050 -0.097 0.000 0.714 133 N CB -0.863 37.594 38.487 -0.050 0.000 0.959 133 N HN 0.293 nan 8.380 nan 0.000 0.544 134 V N -2.837 116.868 119.914 -0.349 0.000 2.649 134 V HA -0.005 4.115 4.120 -0.000 0.000 0.248 134 V C 2.199 177.735 176.094 -0.930 0.000 1.054 134 V CA 1.847 63.762 62.300 -0.642 0.000 1.073 134 V CB -0.443 30.885 31.823 -0.825 0.000 0.699 134 V HN 0.408 nan 8.190 nan 0.000 0.463 135 K N 0.729 120.711 120.400 -0.697 0.000 2.113 135 K HA -0.285 4.035 4.320 -0.000 0.000 0.208 135 K C 2.290 178.760 176.600 -0.216 0.000 1.047 135 K CA 2.135 58.207 56.287 -0.358 0.000 0.928 135 K CB -0.218 32.291 32.500 0.015 0.000 0.716 135 K HN 0.746 nan 8.250 nan 0.000 0.446 136 E N -0.382 119.711 120.200 -0.178 0.000 2.153 136 E HA -0.192 4.158 4.350 -0.000 0.000 0.194 136 E C 1.628 178.172 176.600 -0.092 0.000 0.988 136 E CA 1.006 57.347 56.400 -0.098 0.000 0.811 136 E CB -0.043 29.619 29.700 -0.063 0.000 0.746 136 E HN 0.423 nan 8.360 nan 0.000 0.466 137 A N 0.547 123.281 122.820 -0.144 0.000 1.898 137 A HA -0.122 4.198 4.320 -0.000 0.000 0.214 137 A C 1.737 179.356 177.584 0.058 0.000 1.183 137 A CA 0.888 52.919 52.037 -0.010 0.000 0.622 137 A CB -0.820 18.140 19.000 -0.066 0.000 0.824 137 A HN 0.431 nan 8.150 nan 0.000 0.444 138 W N -0.030 121.149 121.300 -0.201 0.000 2.335 138 W HA -0.096 4.564 4.660 -0.000 0.000 0.311 138 W C 2.796 178.932 176.519 -0.639 0.000 1.213 138 W CA 0.826 57.932 57.345 -0.399 0.000 1.274 138 W CB -1.342 27.841 29.460 -0.462 0.000 1.148 138 W HN 0.433 nan 8.180 nan 0.000 0.498 139 A N 0.303 122.832 122.820 -0.485 0.000 1.940 139 A HA -0.239 4.080 4.320 -0.000 0.000 0.219 139 A C 1.880 179.362 177.584 -0.170 0.000 1.176 139 A CA 1.705 53.503 52.037 -0.397 0.000 0.631 139 A CB -0.918 17.985 19.000 -0.161 0.000 0.814 139 A HN 0.462 nan 8.150 nan 0.000 0.446 140 Q N -1.545 118.176 119.800 -0.131 0.000 2.515 140 Q HA 0.217 4.557 4.340 -0.000 0.000 0.212 140 Q C 1.047 176.770 176.000 -0.463 0.000 0.970 140 Q CA 0.384 56.090 55.803 -0.162 0.000 0.941 140 Q CB -0.080 28.673 28.738 0.026 0.000 0.998 140 Q HN 0.927 nan 8.270 nan 0.000 0.518 141 G N 0.474 109.048 108.800 -0.378 0.000 2.141 141 G HA2 -0.233 3.727 3.960 -0.000 0.000 0.231 141 G HA3 -0.233 3.727 3.960 -0.000 0.000 0.231 141 G C -0.406 174.185 174.900 -0.514 0.000 0.984 141 G CA -0.481 44.359 45.100 -0.434 0.000 0.660 141 G HN 0.238 nan 8.290 nan 0.000 0.525 142 F N 1.663 121.626 119.950 0.022 0.000 2.361 142 F HA 0.596 5.123 4.527 -0.000 0.000 0.364 142 F C 1.175 176.992 175.800 0.028 0.000 1.117 142 F CA -0.204 57.808 58.000 0.020 0.000 1.071 142 F CB 1.909 40.907 39.000 -0.004 0.000 1.188 142 F HN 0.126 nan 8.300 nan 0.000 0.464 143 T N -2.053 112.545 114.554 0.074 0.000 3.144 143 T HA 0.446 4.796 4.350 -0.000 0.000 0.290 143 T C 1.129 175.677 174.700 -0.254 0.000 0.966 143 T CA 0.188 62.132 62.100 -0.260 0.000 0.907 143 T CB 0.364 68.826 68.868 -0.677 0.000 1.152 143 T HN 0.940 nan 8.240 nan 0.000 0.532 144 G N 1.380 110.138 108.800 -0.070 0.000 2.184 144 G HA2 -0.194 3.766 3.960 -0.000 0.000 0.206 144 G HA3 -0.194 3.766 3.960 -0.000 0.000 0.206 144 G C -0.059 174.804 174.900 -0.062 0.000 0.995 144 G CA -0.414 44.639 45.100 -0.079 0.000 0.651 144 G HN 0.675 nan 8.290 nan 0.000 0.511 145 H N 0.464 119.524 119.070 -0.016 0.000 3.140 145 H HA 0.278 4.834 4.556 -0.000 0.000 0.316 145 H C 1.710 177.032 175.328 -0.010 0.000 0.986 145 H CA 2.277 58.323 56.048 -0.004 0.000 1.397 145 H CB 0.555 30.319 29.762 0.005 0.000 1.377 145 H HN 1.375 nan 8.280 nan 0.000 0.585 146 G N 3.466 112.340 108.800 0.124 0.000 2.184 146 G HA2 -0.249 3.711 3.960 -0.000 0.000 0.264 146 G HA3 -0.249 3.711 3.960 -0.000 0.000 0.264 146 G C 0.229 175.142 174.900 0.022 0.000 0.975 146 G CA 0.163 45.306 45.100 0.071 0.000 0.642 146 G HN 0.483 nan 8.290 nan 0.000 0.536 147 I N 0.962 121.520 120.570 -0.020 0.000 2.392 147 I HA 0.570 4.740 4.170 -0.000 0.000 0.295 147 I C 0.442 176.607 176.117 0.080 0.000 0.985 147 I CA -1.327 59.937 61.300 -0.059 0.000 1.221 147 I CB 1.558 39.476 38.000 -0.138 0.000 1.366 147 I HN -0.115 nan 8.210 nan 0.000 0.467 148 V N 6.725 126.813 119.914 0.289 0.000 2.448 148 V HA 0.498 4.618 4.120 -0.000 0.000 0.295 148 V C -0.024 176.017 176.094 -0.088 0.000 1.025 148 V CA -0.664 61.608 62.300 -0.046 0.000 0.859 148 V CB 2.211 33.786 31.823 -0.414 0.000 0.988 148 V HN 0.452 nan 8.190 nan 0.000 0.431 149 V N 3.454 123.305 119.914 -0.104 0.000 2.604 149 V HA 0.629 4.749 4.120 -0.000 0.000 0.305 149 V C -0.069 175.949 176.094 -0.127 0.000 1.043 149 V CA -0.362 61.866 62.300 -0.120 0.000 0.888 149 V CB 2.141 33.931 31.823 -0.055 0.000 0.995 149 V HN 0.833 nan 8.190 nan 0.000 0.429 150 S N 4.471 120.067 115.700 -0.172 0.000 2.502 150 S HA 0.684 5.153 4.470 -0.000 0.000 0.304 150 S C -0.842 173.767 174.600 0.015 0.000 1.097 150 S CA -0.620 57.527 58.200 -0.087 0.000 1.045 150 S CB 0.857 63.968 63.200 -0.149 0.000 1.019 150 S HN 0.485 nan 8.310 nan 0.000 0.481 151 I N 5.547 126.154 120.570 0.062 0.000 2.304 151 I HA 0.290 4.460 4.170 -0.000 0.000 0.291 151 I C -0.303 175.903 176.117 0.148 0.000 1.018 151 I CA -0.415 60.939 61.300 0.091 0.000 1.260 151 I CB 0.927 38.972 38.000 0.074 0.000 1.390 151 I HN 0.593 nan 8.210 nan 0.000 0.475 152 L N 6.391 127.735 121.223 0.202 0.000 2.282 152 L HA 0.363 4.703 4.340 -0.000 0.000 0.287 152 L C 0.288 177.347 176.870 0.315 0.000 1.075 152 L CA 0.255 55.266 54.840 0.286 0.000 0.839 152 L CB 0.544 42.855 42.059 0.420 0.000 1.219 152 L HN 0.641 nan 8.230 nan 0.000 0.434 153 D N 0.947 121.438 120.400 0.151 0.000 4.378 153 D HA 0.007 4.647 4.640 -0.000 0.000 0.318 153 D C -0.579 175.709 176.300 -0.021 0.000 1.651 153 D CA -0.148 53.908 54.000 0.093 0.000 0.976 153 D CB 0.964 41.882 40.800 0.197 0.000 1.451 153 D HN 0.536 nan 8.370 nan 0.000 0.665 154 D N 0.188 120.588 120.400 -0.000 0.000 2.358 154 D HA 0.427 5.067 4.640 -0.000 0.000 0.224 154 D C 0.842 177.119 176.300 -0.038 0.000 1.123 154 D CA 0.286 54.259 54.000 -0.045 0.000 0.833 154 D CB 0.426 41.195 40.800 -0.051 0.000 0.946 154 D HN 0.703 nan 8.370 nan 0.000 0.505 155 G N -0.274 108.523 108.800 -0.005 0.000 2.497 155 G HA2 0.040 4.000 3.960 -0.000 0.000 0.686 155 G HA3 0.040 4.000 3.960 -0.000 0.000 0.686 155 G C -1.561 173.341 174.900 0.003 0.000 1.288 155 G CA -0.589 44.507 45.100 -0.007 0.000 0.899 155 G HN 0.437 nan 8.290 nan 0.000 0.608 156 I N -0.309 120.268 120.570 0.012 0.000 2.569 156 I HA 0.566 4.736 4.170 -0.000 0.000 0.290 156 I C 0.152 176.259 176.117 -0.018 0.000 1.088 156 I CA -0.807 60.504 61.300 0.019 0.000 1.047 156 I CB 1.790 39.847 38.000 0.095 0.000 1.237 156 I HN 0.708 nan 8.210 nan 0.000 0.421 157 E N 7.308 127.503 120.200 -0.007 0.000 1.775 157 E HA 0.016 4.366 4.350 -0.000 0.000 0.266 157 E C 0.996 177.576 176.600 -0.032 0.000 1.191 157 E CA -0.139 56.276 56.400 0.025 0.000 1.048 157 E CB 0.439 30.217 29.700 0.130 0.000 1.081 157 E HN 0.611 nan 8.360 nan 0.000 0.434 158 K N 2.740 123.011 120.400 -0.216 0.000 2.360 158 K HA -0.176 4.144 4.320 -0.000 0.000 0.201 158 K C 0.781 177.187 176.600 -0.323 0.000 1.046 158 K CA 1.383 57.339 56.287 -0.551 0.000 0.940 158 K CB -0.048 31.647 32.500 -1.343 0.000 0.748 158 K HN 0.280 nan 8.250 nan 0.000 0.465 159 N N 0.486 119.099 118.700 -0.145 0.000 2.235 159 N HA -0.085 4.655 4.740 -0.000 0.000 0.209 159 N C -0.354 175.157 175.510 0.001 0.000 1.122 159 N CA -0.280 52.728 53.050 -0.070 0.000 0.845 159 N CB -0.244 38.203 38.487 -0.067 0.000 1.004 159 N HN 0.223 nan 8.380 nan 0.000 0.499 160 H N 3.408 122.451 119.070 -0.044 0.000 2.886 160 H HA 0.083 4.639 4.556 -0.000 0.000 0.329 160 H C -1.272 174.052 175.328 -0.006 0.000 1.044 160 H CA -0.866 55.174 56.048 -0.012 0.000 1.456 160 H CB 1.558 31.319 29.762 -0.001 0.000 1.464 160 H HN 0.015 nan 8.280 nan 0.000 0.573 161 P HA -0.156 nan 4.420 nan 0.000 0.220 161 P C 0.542 177.943 177.300 0.168 0.000 1.144 161 P CA 1.246 64.374 63.100 0.048 0.000 0.800 161 P CB 0.478 32.145 31.700 -0.055 0.000 0.772 162 D N -1.879 118.758 120.400 0.395 0.000 2.395 162 D HA 0.182 4.822 4.640 -0.000 0.000 0.213 162 D C 1.530 177.889 176.300 0.099 0.000 1.110 162 D CA 0.113 54.228 54.000 0.191 0.000 0.835 162 D CB 0.016 40.908 40.800 0.153 0.000 0.965 162 D HN 0.114 nan 8.370 nan 0.000 0.505 163 L N -1.020 120.283 121.223 0.133 0.000 2.694 163 L HA 0.352 4.692 4.340 -0.000 0.000 0.228 163 L C 2.264 179.210 176.870 0.127 0.000 1.048 163 L CA 0.401 55.295 54.840 0.090 0.000 0.887 163 L CB -0.152 41.941 42.059 0.058 0.000 1.265 163 L HN -0.084 nan 8.230 nan 0.000 0.492 164 A N 1.112 124.000 122.820 0.114 0.000 1.940 164 A HA -0.239 4.081 4.320 -0.000 0.000 0.221 164 A C 2.253 179.914 177.584 0.127 0.000 1.190 164 A CA 2.308 54.408 52.037 0.105 0.000 0.647 164 A CB -1.362 17.672 19.000 0.057 0.000 0.821 164 A HN 0.445 nan 8.150 nan 0.000 0.457 165 G N -0.890 107.965 108.800 0.091 0.000 2.450 165 G HA2 -0.240 3.720 3.960 -0.000 0.000 0.220 165 G HA3 -0.240 3.720 3.960 -0.000 0.000 0.220 165 G C 1.192 176.140 174.900 0.081 0.000 1.130 165 G CA 1.156 46.299 45.100 0.073 0.000 0.760 165 G HN 0.568 nan 8.290 nan 0.000 0.557 166 N N -1.232 117.525 118.700 0.096 0.000 2.205 166 N HA 0.094 4.834 4.740 -0.000 0.000 0.201 166 N C -0.202 175.370 175.510 0.104 0.000 1.128 166 N CA -0.571 52.526 53.050 0.078 0.000 0.867 166 N CB 0.256 38.776 38.487 0.054 0.000 0.996 166 N HN 0.364 nan 8.380 nan 0.000 0.503 167 Y N 2.299 122.618 120.300 0.032 0.000 2.712 167 Y HA 0.042 4.592 4.550 -0.000 0.000 0.333 167 Y C -0.057 175.870 175.900 0.045 0.000 1.225 167 Y CA 0.078 58.200 58.100 0.037 0.000 1.499 167 Y CB 0.411 38.894 38.460 0.038 0.000 1.288 167 Y HN -0.094 nan 8.280 nan 0.000 0.575 168 D N 7.996 127.911 120.400 -0.809 0.000 2.469 168 D HA 0.308 4.948 4.640 -0.000 0.000 0.251 168 D C -2.302 173.536 176.300 -0.770 0.000 1.173 168 D CA -2.439 51.227 54.000 -0.557 0.000 0.882 168 D CB 1.928 42.616 40.800 -0.187 0.000 1.129 168 D HN 0.272 nan 8.370 nan 0.000 0.549 169 P HA -0.012 nan 4.420 nan 0.000 0.219 169 P C 1.301 178.526 177.300 -0.124 0.000 1.146 169 P CA 0.894 63.845 63.100 -0.249 0.000 0.808 169 P CB 0.350 32.038 31.700 -0.021 0.000 0.779 170 G N -0.411 108.300 108.800 -0.148 0.000 2.534 170 G HA2 -0.056 3.904 3.960 -0.000 0.000 0.217 170 G HA3 -0.056 3.904 3.960 -0.000 0.000 0.217 170 G C 1.212 176.111 174.900 -0.002 0.000 1.128 170 G CA 0.629 45.625 45.100 -0.174 0.000 0.784 170 G HN 0.367 nan 8.290 nan 0.000 0.542 171 A N -0.212 122.624 122.820 0.027 0.000 2.500 171 A HA 0.675 4.995 4.320 -0.000 0.000 0.267 171 A C 0.667 178.274 177.584 0.039 0.000 1.290 171 A CA -0.047 52.017 52.037 0.045 0.000 0.928 171 A CB 0.359 19.340 19.000 -0.030 0.000 1.066 171 A HN 0.155 nan 8.150 nan 0.000 0.516 172 S N -1.188 114.552 115.700 0.067 0.000 2.599 172 S HA 0.887 5.357 4.470 -0.000 0.000 0.294 172 S C -1.135 173.634 174.600 0.282 0.000 1.094 172 S CA -0.431 57.861 58.200 0.154 0.000 0.931 172 S CB 1.718 65.019 63.200 0.167 0.000 1.093 172 S HN 0.464 nan 8.310 nan 0.000 0.488 173 F N 0.980 120.976 119.950 0.076 0.000 2.793 173 F HA 0.283 4.810 4.527 -0.000 0.000 0.316 173 F C -2.157 173.674 175.800 0.052 0.000 1.147 173 F CA -0.576 57.460 58.000 0.060 0.000 0.930 173 F CB 1.307 40.337 39.000 0.050 0.000 1.277 173 F HN 0.549 nan 8.300 nan 0.000 0.443 174 D N 3.196 123.367 120.400 -0.382 0.000 2.472 174 D HA 0.372 5.012 4.640 -0.000 0.000 0.234 174 D C 0.397 176.723 176.300 0.044 0.000 1.088 174 D CA -0.051 53.868 54.000 -0.135 0.000 0.882 174 D CB 1.558 42.227 40.800 -0.218 0.000 1.037 174 D HN 0.285 nan 8.370 nan 0.000 0.520 175 V N 3.835 123.896 119.914 0.245 0.000 2.667 175 V HA -0.132 3.988 4.120 -0.000 0.000 0.252 175 V C 2.025 178.184 176.094 0.108 0.000 1.065 175 V CA 1.250 63.704 62.300 0.257 0.000 1.083 175 V CB -0.605 31.321 31.823 0.171 0.000 0.692 175 V HN 0.554 nan 8.190 nan 0.000 0.468 176 N N 0.178 118.902 118.700 0.040 0.000 2.244 176 N HA -0.176 4.564 4.740 -0.000 0.000 0.183 176 N C 1.270 176.782 175.510 0.003 0.000 1.016 176 N CA 1.368 54.419 53.050 0.002 0.000 0.866 176 N CB -0.002 38.468 38.487 -0.028 0.000 0.980 176 N HN 0.409 nan 8.380 nan 0.000 0.430 177 D N -0.246 120.150 120.400 -0.006 0.000 2.431 177 D HA 0.030 4.670 4.640 -0.000 0.000 0.213 177 D C -0.497 175.798 176.300 -0.009 0.000 1.130 177 D CA -0.071 53.918 54.000 -0.019 0.000 0.834 177 D CB 0.144 40.916 40.800 -0.046 0.000 0.985 177 D HN -0.151 nan 8.370 nan 0.000 0.504 178 Q N 1.376 121.205 119.800 0.049 0.000 2.447 178 Q HA -0.205 4.135 4.340 -0.000 0.000 0.348 178 Q C -1.092 174.907 176.000 -0.002 0.000 1.421 178 Q CA 1.015 56.902 55.803 0.140 0.000 0.978 178 Q CB -1.230 27.582 28.738 0.123 0.000 1.191 178 Q HN 0.615 nan 8.270 nan 0.000 0.371 179 D N -0.798 119.409 120.400 -0.322 0.000 2.609 179 D HA 0.280 4.920 4.640 -0.000 0.000 0.239 179 D C -2.242 173.429 176.300 -1.048 0.000 1.229 179 D CA -1.367 52.366 54.000 -0.445 0.000 0.808 179 D CB 1.920 42.581 40.800 -0.232 0.000 1.448 179 D HN -0.087 nan 8.370 nan 0.000 0.433 180 P HA 0.019 nan 4.420 nan 0.000 0.231 180 P C 0.136 177.252 177.300 -0.307 0.000 1.168 180 P CA 0.393 63.131 63.100 -0.604 0.000 0.779 180 P CB 0.398 32.016 31.700 -0.137 0.000 0.844 181 D N 2.040 122.306 120.400 -0.224 0.000 2.336 181 D HA 0.073 4.713 4.640 -0.000 0.000 0.249 181 D C -1.536 174.708 176.300 -0.092 0.000 1.213 181 D CA -2.283 51.659 54.000 -0.097 0.000 0.870 181 D CB 0.801 41.558 40.800 -0.071 0.000 1.076 181 D HN 0.121 nan 8.370 nan 0.000 0.483 182 P HA 0.015 nan 4.420 nan 0.000 0.256 182 P C 0.078 177.370 177.300 -0.013 0.000 1.384 182 P CA -0.203 62.899 63.100 0.003 0.000 0.879 182 P CB 0.244 32.000 31.700 0.092 0.000 1.403 183 Q N 3.075 122.857 119.800 -0.029 0.000 2.283 183 Q HA 0.091 4.431 4.340 -0.000 0.000 0.301 183 Q C -1.967 174.002 176.000 -0.051 0.000 1.063 183 Q CA -1.220 54.569 55.803 -0.022 0.000 0.952 183 Q CB -0.030 28.717 28.738 0.016 0.000 1.166 183 Q HN 0.225 nan 8.270 nan 0.000 0.381 184 P HA 0.063 nan 4.420 nan 0.000 0.274 184 P C -1.145 175.983 177.300 -0.286 0.000 1.237 184 P CA -0.236 62.731 63.100 -0.222 0.000 0.793 184 P CB 0.638 32.151 31.700 -0.311 0.000 0.977 185 R N 1.916 122.287 120.500 -0.214 0.000 2.234 185 R HA 0.228 4.568 4.340 -0.000 0.000 0.324 185 R C -0.567 175.619 176.300 -0.189 0.000 1.054 185 R CA -0.381 55.650 56.100 -0.114 0.000 0.912 185 R CB -0.200 30.066 30.300 -0.056 0.000 1.030 185 R HN 0.364 nan 8.270 nan 0.000 0.455 186 Y N 2.722 123.015 120.300 -0.012 0.000 2.319 186 Y HA 0.193 4.743 4.550 -0.000 0.000 0.328 186 Y C 0.863 176.760 175.900 -0.006 0.000 1.133 186 Y CA 0.136 58.232 58.100 -0.008 0.000 1.265 186 Y CB 1.562 40.016 38.460 -0.010 0.000 1.218 186 Y HN 0.618 nan 8.280 nan 0.000 0.508 187 T N -1.371 113.247 114.554 0.106 0.000 2.883 187 T HA 0.237 4.587 4.350 -0.000 0.000 0.296 187 T C 0.557 175.298 174.700 0.067 0.000 1.117 187 T CA -0.994 61.145 62.100 0.066 0.000 1.006 187 T CB 1.830 70.713 68.868 0.025 0.000 1.191 187 T HN 0.475 nan 8.240 nan 0.000 0.508 188 Q N 0.105 119.934 119.800 0.048 0.000 2.112 188 Q HA -0.072 4.268 4.340 -0.000 0.000 0.206 188 Q C 1.627 177.650 176.000 0.039 0.000 0.987 188 Q CA 2.017 57.844 55.803 0.041 0.000 0.858 188 Q CB -0.439 28.317 28.738 0.029 0.000 0.905 188 Q HN 0.683 nan 8.270 nan 0.000 0.420 189 M N 0.463 120.082 119.600 0.032 0.000 2.618 189 M HA 0.077 4.557 4.480 -0.000 0.000 0.240 189 M C -0.175 176.144 176.300 0.032 0.000 1.123 189 M CA 0.345 55.664 55.300 0.030 0.000 1.060 189 M CB -0.558 32.056 32.600 0.024 0.000 1.535 189 M HN 0.245 nan 8.290 nan 0.000 0.507 190 N N 1.823 120.543 118.700 0.034 0.000 2.738 190 N HA -0.185 4.555 4.740 -0.000 0.000 0.249 190 N C 0.014 175.526 175.510 0.003 0.000 1.047 190 N CA 0.703 53.767 53.050 0.023 0.000 0.707 190 N CB -1.007 37.503 38.487 0.039 0.000 0.937 190 N HN 0.471 nan 8.380 nan 0.000 0.545 191 D N 0.165 120.562 120.400 -0.005 0.000 2.178 191 D HA -0.084 4.556 4.640 -0.000 0.000 0.201 191 D C 0.576 176.863 176.300 -0.021 0.000 0.980 191 D CA 0.902 54.897 54.000 -0.007 0.000 0.842 191 D CB 0.053 40.845 40.800 -0.013 0.000 0.948 191 D HN 0.386 nan 8.370 nan 0.000 0.472 192 N N 1.140 119.804 118.700 -0.060 0.000 2.558 192 N HA 0.039 4.779 4.740 -0.000 0.000 0.281 192 N C 1.128 176.586 175.510 -0.087 0.000 1.219 192 N CA -0.028 52.975 53.050 -0.079 0.000 0.942 192 N CB 0.561 38.969 38.487 -0.132 0.000 1.241 192 N HN 0.410 nan 8.380 nan 0.000 0.511 193 R N -0.917 119.562 120.500 -0.035 0.000 2.312 193 R HA 0.128 4.468 4.340 -0.000 0.000 0.205 193 R C 1.373 177.654 176.300 -0.032 0.000 0.904 193 R CA -0.038 56.034 56.100 -0.046 0.000 1.052 193 R CB -0.334 29.945 30.300 -0.033 0.000 1.014 193 R HN 0.224 nan 8.270 nan 0.000 0.503 194 H N 1.407 120.436 119.070 -0.068 0.000 2.289 194 H HA -0.094 4.462 4.556 -0.000 0.000 0.296 194 H C 1.897 177.201 175.328 -0.040 0.000 1.091 194 H CA 2.514 58.538 56.048 -0.040 0.000 1.274 194 H CB -0.056 29.710 29.762 0.005 0.000 1.364 194 H HN 0.442 nan 8.280 nan 0.000 0.490 195 G N -0.796 108.056 108.800 0.087 0.000 2.418 195 G HA2 -0.249 3.711 3.960 -0.000 0.000 0.217 195 G HA3 -0.249 3.711 3.960 -0.000 0.000 0.217 195 G C 1.816 176.701 174.900 -0.026 0.000 1.158 195 G CA 1.297 46.424 45.100 0.045 0.000 0.771 195 G HN 0.389 nan 8.290 nan 0.000 0.545 196 T N 0.514 115.033 114.554 -0.057 0.000 2.746 196 T HA -0.067 4.283 4.350 -0.000 0.000 0.267 196 T C 2.494 177.105 174.700 -0.150 0.000 1.039 196 T CA 1.055 63.104 62.100 -0.085 0.000 1.142 196 T CB -0.126 68.702 68.868 -0.066 0.000 0.866 196 T HN 0.262 nan 8.240 nan 0.000 0.444 197 R N 0.145 120.509 120.500 -0.228 0.000 2.096 197 R HA -0.041 4.299 4.340 -0.000 0.000 0.235 197 R C 2.741 178.905 176.300 -0.226 0.000 1.127 197 R CA 1.335 57.215 56.100 -0.367 0.000 0.968 197 R CB -0.728 29.076 30.300 -0.826 0.000 0.861 197 R HN 0.390 nan 8.270 nan 0.000 0.440 198 C N 0.099 119.313 119.300 -0.144 0.000 2.446 198 C HA -0.004 4.456 4.460 -0.000 0.000 0.277 198 C C 2.942 177.924 174.990 -0.013 0.000 1.275 198 C CA 0.595 59.598 59.018 -0.025 0.000 1.727 198 C CB -0.924 26.808 27.740 -0.014 0.000 2.010 198 C HN 0.579 nan 8.230 nan 0.000 0.486 199 A N 1.128 123.933 122.820 -0.025 0.000 1.883 199 A HA -0.016 4.304 4.320 -0.000 0.000 0.217 199 A C 2.430 180.009 177.584 -0.009 0.000 1.186 199 A CA 2.241 54.276 52.037 -0.004 0.000 0.624 199 A CB -1.376 17.626 19.000 0.003 0.000 0.822 199 A HN 0.548 nan 8.150 nan 0.000 0.444 200 G N -0.682 108.088 108.800 -0.051 0.000 2.442 200 G HA2 -0.225 3.735 3.960 -0.000 0.000 0.219 200 G HA3 -0.225 3.735 3.960 -0.000 0.000 0.219 200 G C 1.398 176.319 174.900 0.035 0.000 1.141 200 G CA 1.095 46.170 45.100 -0.040 0.000 0.763 200 G HN 0.670 nan 8.290 nan 0.000 0.554 201 E N -0.391 119.837 120.200 0.047 0.000 2.150 201 E HA -0.028 4.322 4.350 -0.000 0.000 0.193 201 E C 2.642 179.304 176.600 0.102 0.000 0.985 201 E CA 0.646 57.102 56.400 0.094 0.000 0.814 201 E CB 0.075 29.819 29.700 0.073 0.000 0.752 201 E HN 0.356 nan 8.360 nan 0.000 0.466 202 V N 0.168 120.122 119.914 0.067 0.000 2.331 202 V HA 0.003 4.123 4.120 -0.000 0.000 0.242 202 V C 1.287 177.427 176.094 0.076 0.000 1.034 202 V CA 1.518 63.856 62.300 0.063 0.000 1.027 202 V CB 0.183 32.025 31.823 0.032 0.000 0.667 202 V HN 0.246 nan 8.190 nan 0.000 0.457 203 A N -0.425 122.433 122.820 0.064 0.000 2.992 203 A HA 0.755 5.075 4.320 -0.000 0.000 0.263 203 A C 0.335 177.960 177.584 0.069 0.000 0.928 203 A CA 0.223 52.301 52.037 0.068 0.000 1.061 203 A CB -0.167 18.857 19.000 0.039 0.000 1.173 203 A HN 0.424 nan 8.150 nan 0.000 0.482 204 A N 0.205 123.070 122.820 0.074 0.000 2.462 204 A HA 0.517 4.837 4.320 -0.000 0.000 0.243 204 A C 0.536 178.150 177.584 0.050 0.000 1.076 204 A CA -0.012 52.053 52.037 0.045 0.000 0.773 204 A CB 0.051 19.076 19.000 0.041 0.000 1.010 204 A HN 0.803 nan 8.150 nan 0.000 0.493 205 V N 1.754 121.683 119.914 0.024 0.000 2.763 205 V HA 0.305 4.424 4.120 -0.000 0.000 0.306 205 V C 1.038 177.069 176.094 -0.104 0.000 1.059 205 V CA 0.668 62.959 62.300 -0.015 0.000 1.138 205 V CB 0.437 32.257 31.823 -0.004 0.000 0.940 205 V HN 1.110 nan 8.190 nan 0.000 0.489 206 A N 4.127 126.800 122.820 -0.245 0.000 2.306 206 A HA 0.597 4.917 4.320 -0.000 0.000 0.330 206 A C 0.727 178.093 177.584 -0.364 0.000 1.146 206 A CA -0.619 51.130 52.037 -0.479 0.000 0.827 206 A CB 0.261 18.534 19.000 -1.211 0.000 1.178 206 A HN 0.995 nan 8.150 nan 0.000 0.490 207 N N 0.673 119.163 118.700 -0.350 0.000 2.727 207 N HA -0.173 4.567 4.740 -0.000 0.000 0.249 207 N C -0.048 175.370 175.510 -0.152 0.000 1.048 207 N CA 1.277 54.180 53.050 -0.245 0.000 0.714 207 N CB -0.843 37.482 38.487 -0.269 0.000 0.959 207 N HN 0.866 nan 8.380 nan 0.000 0.544 208 N N -1.385 117.245 118.700 -0.116 0.000 2.238 208 N HA 0.211 4.951 4.740 -0.000 0.000 0.235 208 N C 1.027 176.511 175.510 -0.043 0.000 1.209 208 N CA 0.501 53.510 53.050 -0.068 0.000 0.879 208 N CB 0.095 38.552 38.487 -0.049 0.000 1.136 208 N HN 0.317 nan 8.380 nan 0.000 0.517 209 G N -0.140 108.632 108.800 -0.047 0.000 2.187 209 G HA2 -0.249 3.711 3.960 -0.000 0.000 0.261 209 G HA3 -0.249 3.711 3.960 -0.000 0.000 0.261 209 G C -0.517 174.381 174.900 -0.003 0.000 1.000 209 G CA 0.764 45.849 45.100 -0.024 0.000 0.718 209 G HN 0.344 nan 8.290 nan 0.000 0.519 210 V N -0.545 119.371 119.914 0.004 0.000 2.588 210 V HA 0.632 4.751 4.120 -0.000 0.000 0.304 210 V C 1.558 177.683 176.094 0.052 0.000 1.042 210 V CA -0.354 61.965 62.300 0.032 0.000 0.877 210 V CB 0.780 32.630 31.823 0.045 0.000 0.996 210 V HN 1.143 nan 8.190 nan 0.000 0.425 211 c N 3.715 122.357 118.600 0.071 0.000 0.169 211 c HA -0.230 4.340 4.570 -0.000 0.000 0.017 211 c C 1.675 175.818 174.090 0.089 0.000 0.171 211 c CA 1.756 58.138 56.329 0.087 0.000 0.499 211 c CB -1.178 41.396 42.510 0.108 0.000 3.212 211 c HN 1.388 nan 8.230 nan 0.000 1.118 212 G N -1.075 107.786 108.800 0.102 0.000 3.175 212 G HA2 0.711 4.671 3.960 -0.000 0.000 0.153 212 G HA3 0.711 4.671 3.960 -0.000 0.000 0.153 212 G C -0.515 174.449 174.900 0.107 0.000 1.216 212 G CA 0.620 45.804 45.100 0.140 0.000 0.943 212 G HN 2.126 nan 8.290 nan 0.000 0.611 213 V N -2.842 117.174 119.914 0.171 0.000 3.114 213 V HA 0.920 5.040 4.120 -0.000 0.000 0.308 213 V C 0.216 176.456 176.094 0.244 0.000 1.168 213 V CA -0.167 62.208 62.300 0.125 0.000 1.015 213 V CB 1.402 33.213 31.823 -0.021 0.000 1.050 213 V HN 1.288 nan 8.190 nan 0.000 0.433 214 G N 0.350 109.295 108.800 0.242 0.000 2.477 214 G HA2 0.489 4.449 3.960 -0.000 0.000 0.304 214 G HA3 0.489 4.449 3.960 -0.000 0.000 0.304 214 G C 0.653 175.784 174.900 0.385 0.000 1.175 214 G CA -0.056 45.200 45.100 0.260 0.000 0.907 214 G HN 1.082 nan 8.290 nan 0.000 0.509 215 V N 0.975 121.088 119.914 0.332 0.000 2.287 215 V HA -0.089 4.031 4.120 -0.000 0.000 0.248 215 V C 2.187 178.494 176.094 0.355 0.000 1.053 215 V CA 2.293 64.826 62.300 0.388 0.000 1.027 215 V CB -0.601 31.340 31.823 0.196 0.000 0.646 215 V HN 0.811 nan 8.190 nan 0.000 0.447 216 A N -0.521 122.386 122.820 0.146 0.000 3.173 216 A HA 0.438 4.758 4.320 -0.000 0.000 0.304 216 A C 0.754 178.298 177.584 -0.067 0.000 1.318 216 A CA -0.544 51.485 52.037 -0.014 0.000 1.069 216 A CB -0.584 18.410 19.000 -0.011 0.000 1.147 216 A HN 0.605 nan 8.150 nan 0.000 0.547 217 Y N -0.747 119.521 120.300 -0.053 0.000 2.716 217 Y HA 0.007 4.557 4.550 -0.000 0.000 0.302 217 Y C 0.863 176.655 175.900 -0.180 0.000 1.160 217 Y CA 0.658 58.678 58.100 -0.134 0.000 1.362 217 Y CB -0.510 37.810 38.460 -0.232 0.000 0.988 217 Y HN 0.453 nan 8.280 nan 0.000 0.546 218 N N 0.370 118.970 118.700 -0.167 0.000 2.177 218 N HA 0.333 5.073 4.740 -0.000 0.000 0.218 218 N C 0.179 175.550 175.510 -0.231 0.000 1.182 218 N CA 0.467 53.353 53.050 -0.273 0.000 0.882 218 N CB 0.604 38.656 38.487 -0.726 0.000 1.052 218 N HN 0.398 nan 8.380 nan 0.000 0.519 219 A N 0.715 123.459 122.820 -0.126 0.000 2.272 219 A HA 0.553 4.873 4.320 -0.000 0.000 0.275 219 A C 0.342 177.905 177.584 -0.034 0.000 1.096 219 A CA -0.287 51.708 52.037 -0.070 0.000 0.822 219 A CB 0.796 19.767 19.000 -0.048 0.000 1.088 219 A HN 0.126 nan 8.150 nan 0.000 0.495 220 R N -0.597 119.887 120.500 -0.026 0.000 2.368 220 R HA 0.545 4.885 4.340 -0.000 0.000 0.302 220 R C -1.059 175.221 176.300 -0.034 0.000 1.002 220 R CA -0.269 55.816 56.100 -0.024 0.000 0.929 220 R CB 1.241 31.523 30.300 -0.030 0.000 1.073 220 R HN 0.587 nan 8.270 nan 0.000 0.464 221 I N 1.592 122.151 120.570 -0.018 0.000 2.465 221 I HA 0.604 4.774 4.170 -0.000 0.000 0.291 221 I C -0.328 175.777 176.117 -0.020 0.000 1.014 221 I CA -0.104 61.194 61.300 -0.003 0.000 1.093 221 I CB 1.947 39.974 38.000 0.045 0.000 1.267 221 I HN 0.665 nan 8.210 nan 0.000 0.431 222 G N 3.862 112.648 108.800 -0.023 0.000 2.714 222 G HA2 0.806 4.766 3.960 -0.000 0.000 0.292 222 G HA3 0.806 4.766 3.960 -0.000 0.000 0.292 222 G C -1.177 173.778 174.900 0.092 0.000 1.308 222 G CA -0.720 44.372 45.100 -0.014 0.000 0.964 222 G HN 0.900 nan 8.290 nan 0.000 0.484 223 G N -1.548 107.346 108.800 0.155 0.000 2.682 223 G HA2 0.558 4.518 3.960 -0.000 0.000 0.300 223 G HA3 0.558 4.518 3.960 -0.000 0.000 0.300 223 G C -1.639 173.353 174.900 0.154 0.000 1.391 223 G CA -0.402 44.786 45.100 0.147 0.000 0.990 223 G HN 0.851 nan 8.290 nan 0.000 0.501 224 V N 1.711 121.714 119.914 0.148 0.000 2.350 224 V HA 0.433 4.553 4.120 -0.000 0.000 0.285 224 V C 0.438 176.595 176.094 0.105 0.000 1.014 224 V CA -0.862 61.535 62.300 0.163 0.000 0.831 224 V CB 1.316 33.259 31.823 0.199 0.000 1.000 224 V HN 0.777 nan 8.190 nan 0.000 0.433 225 R N 5.179 125.724 120.500 0.074 0.000 2.248 225 R HA 0.375 4.715 4.340 -0.000 0.000 0.337 225 R C 0.440 176.742 176.300 0.002 0.000 1.085 225 R CA -0.109 56.000 56.100 0.015 0.000 0.934 225 R CB 0.322 30.615 30.300 -0.011 0.000 1.034 225 R HN 0.809 nan 8.270 nan 0.000 0.465 226 M N 2.648 122.216 119.600 -0.053 0.000 2.215 226 M HA 0.189 4.669 4.480 -0.000 0.000 0.391 226 M C -0.358 175.812 176.300 -0.217 0.000 0.914 226 M CA 0.369 55.608 55.300 -0.102 0.000 1.035 226 M CB 0.626 33.177 32.600 -0.082 0.000 1.944 226 M HN 0.386 nan 8.290 nan 0.000 0.656 227 L N -0.183 120.900 121.223 -0.235 0.000 2.590 227 L HA 0.288 4.628 4.340 -0.000 0.000 0.227 227 L C 0.477 177.237 176.870 -0.182 0.000 1.099 227 L CA 0.096 54.761 54.840 -0.291 0.000 0.872 227 L CB 0.222 42.074 42.059 -0.345 0.000 1.088 227 L HN 0.237 nan 8.230 nan 0.000 0.479 228 D N 1.400 121.723 120.400 -0.129 0.000 2.845 228 D HA 0.393 5.033 4.640 -0.000 0.000 0.235 228 D C 0.384 176.638 176.300 -0.078 0.000 1.158 228 D CA 0.421 54.364 54.000 -0.095 0.000 0.990 228 D CB -0.099 40.654 40.800 -0.079 0.000 1.094 228 D HN 0.315 nan 8.370 nan 0.000 0.486 229 G N 0.433 109.182 108.800 -0.085 0.000 2.344 229 G HA2 0.001 3.961 3.960 -0.000 0.000 0.282 229 G HA3 0.001 3.961 3.960 -0.000 0.000 0.282 229 G C -1.226 173.631 174.900 -0.071 0.000 1.281 229 G CA -0.940 44.121 45.100 -0.064 0.000 0.877 229 G HN 0.171 nan 8.290 nan 0.000 0.494 230 E N 0.011 120.179 120.200 -0.054 0.000 2.265 230 E HA 0.385 4.735 4.350 -0.000 0.000 0.272 230 E C -0.164 176.396 176.600 -0.067 0.000 1.067 230 E CA -0.367 56.002 56.400 -0.051 0.000 0.900 230 E CB 0.808 30.490 29.700 -0.030 0.000 1.017 230 E HN 0.274 nan 8.360 nan 0.000 0.431 231 V N 6.459 126.319 119.914 -0.090 0.000 2.223 231 V HA 0.049 4.169 4.120 -0.000 0.000 0.249 231 V C 0.753 176.810 176.094 -0.061 0.000 1.233 231 V CA -0.187 62.040 62.300 -0.122 0.000 1.131 231 V CB -0.352 31.341 31.823 -0.216 0.000 1.298 231 V HN 0.767 nan 8.190 nan 0.000 0.498 232 T N -0.825 113.707 114.554 -0.037 0.000 2.816 232 T HA 0.149 4.498 4.350 -0.000 0.000 0.282 232 T C 1.064 175.771 174.700 0.012 0.000 0.993 232 T CA -0.137 61.960 62.100 -0.005 0.000 0.994 232 T CB 1.269 70.135 68.868 -0.004 0.000 1.025 232 T HN 0.427 nan 8.240 nan 0.000 0.529 233 D N 0.715 121.132 120.400 0.029 0.000 2.104 233 D HA -0.095 4.545 4.640 -0.000 0.000 0.194 233 D C 2.288 178.596 176.300 0.015 0.000 0.994 233 D CA 1.861 55.885 54.000 0.039 0.000 0.830 233 D CB -0.697 40.123 40.800 0.033 0.000 0.959 233 D HN 0.717 nan 8.370 nan 0.000 0.452 234 A N -0.172 122.650 122.820 0.003 0.000 1.972 234 A HA -0.101 4.219 4.320 -0.000 0.000 0.219 234 A C 2.562 180.140 177.584 -0.010 0.000 1.169 234 A CA 1.489 53.522 52.037 -0.007 0.000 0.635 234 A CB -0.699 18.297 19.000 -0.005 0.000 0.810 234 A HN 0.223 nan 8.150 nan 0.000 0.446 235 V N 0.152 120.060 119.914 -0.009 0.000 2.307 235 V HA -0.254 3.866 4.120 -0.000 0.000 0.245 235 V C 2.422 178.509 176.094 -0.012 0.000 1.045 235 V CA 2.256 64.547 62.300 -0.015 0.000 1.024 235 V CB -0.754 31.045 31.823 -0.039 0.000 0.651 235 V HN 0.646 nan 8.190 nan 0.000 0.449 236 E N 0.335 120.536 120.200 0.002 0.000 2.072 236 E HA -0.171 4.179 4.350 -0.000 0.000 0.191 236 E C 2.325 178.923 176.600 -0.003 0.000 0.985 236 E CA 1.260 57.693 56.400 0.055 0.000 0.801 236 E CB -0.327 29.470 29.700 0.162 0.000 0.750 236 E HN 0.590 nan 8.360 nan 0.000 0.452 237 A N 1.650 124.446 122.820 -0.040 0.000 1.933 237 A HA -0.178 4.142 4.320 -0.000 0.000 0.218 237 A C 2.074 179.610 177.584 -0.081 0.000 1.175 237 A CA 1.188 53.169 52.037 -0.094 0.000 0.628 237 A CB -0.341 18.616 19.000 -0.073 0.000 0.814 237 A HN 0.076 nan 8.150 nan 0.000 0.444 238 R N -0.438 120.032 120.500 -0.049 0.000 2.115 238 R HA -0.010 4.330 4.340 -0.000 0.000 0.226 238 R C 2.400 178.684 176.300 -0.026 0.000 1.100 238 R CA 1.321 57.388 56.100 -0.055 0.000 0.980 238 R CB -0.263 30.002 30.300 -0.057 0.000 0.875 238 R HN 0.494 nan 8.270 nan 0.000 0.445 239 S N 1.318 117.027 115.700 0.016 0.000 2.345 239 S HA -0.020 4.450 4.470 -0.000 0.000 0.219 239 S C 1.975 176.626 174.600 0.084 0.000 1.031 239 S CA 0.889 59.144 58.200 0.091 0.000 0.984 239 S CB -0.132 63.145 63.200 0.129 0.000 0.874 239 S HN 0.174 nan 8.310 nan 0.000 0.451 240 L N 0.791 121.991 121.223 -0.038 0.000 2.131 240 L HA -0.038 4.302 4.340 -0.000 0.000 0.210 240 L C 2.103 178.822 176.870 -0.252 0.000 1.092 240 L CA 1.071 55.776 54.840 -0.226 0.000 0.759 240 L CB -0.537 41.228 42.059 -0.491 0.000 0.903 240 L HN 0.397 nan 8.230 nan 0.000 0.435 241 G N -0.502 108.229 108.800 -0.116 0.000 3.523 241 G HA2 0.232 4.191 3.960 -0.000 0.000 0.270 241 G HA3 0.232 4.191 3.960 -0.000 0.000 0.270 241 G C -0.033 174.884 174.900 0.028 0.000 1.134 241 G CA -0.358 44.711 45.100 -0.053 0.000 0.825 241 G HN 0.035 nan 8.290 nan 0.000 0.534 242 L N 0.398 121.693 121.223 0.120 0.000 2.369 242 L HA 0.394 4.734 4.340 -0.000 0.000 0.279 242 L C 0.138 177.117 176.870 0.181 0.000 1.108 242 L CA -0.350 54.562 54.840 0.120 0.000 0.852 242 L CB -0.229 41.925 42.059 0.158 0.000 1.169 242 L HN 0.255 nan 8.230 nan 0.000 0.452 243 N N 3.596 122.342 118.700 0.077 0.000 2.688 243 N HA -0.184 4.556 4.740 -0.000 0.000 0.258 243 N C -2.060 173.515 175.510 0.108 0.000 1.016 243 N CA 0.858 53.955 53.050 0.077 0.000 0.747 243 N CB -0.750 37.789 38.487 0.086 0.000 0.895 243 N HN 0.557 nan 8.380 nan 0.000 0.543 244 P HA -0.139 nan 4.420 nan 0.000 0.218 244 P C 0.618 177.940 177.300 0.037 0.000 1.146 244 P CA 1.183 64.349 63.100 0.109 0.000 0.813 244 P CB 0.209 31.943 31.700 0.056 0.000 0.778 245 N N -2.686 116.026 118.700 0.021 0.000 2.270 245 N HA -0.017 4.723 4.740 -0.000 0.000 0.198 245 N C 1.112 176.605 175.510 -0.028 0.000 1.117 245 N CA 0.381 53.429 53.050 -0.003 0.000 0.845 245 N CB -0.233 38.264 38.487 0.016 0.000 0.980 245 N HN 0.313 nan 8.380 nan 0.000 0.486 246 H N -0.481 118.490 119.070 -0.164 0.000 2.521 246 H HA 0.396 4.952 4.556 -0.000 0.000 0.267 246 H C 0.107 175.185 175.328 -0.415 0.000 0.963 246 H CA 0.152 56.061 56.048 -0.231 0.000 1.175 246 H CB 0.525 30.202 29.762 -0.141 0.000 1.450 246 H HN -0.108 nan 8.280 nan 0.000 0.472 247 I N 1.563 121.900 120.570 -0.389 0.000 2.395 247 I HA 0.094 4.264 4.170 -0.000 0.000 0.289 247 I C 0.515 176.298 176.117 -0.557 0.000 1.023 247 I CA -0.003 60.968 61.300 -0.548 0.000 1.350 247 I CB 1.400 39.066 38.000 -0.558 0.000 1.409 247 I HN 0.437 nan 8.210 nan 0.000 0.507 248 H N 5.238 124.129 119.070 -0.298 0.000 2.418 248 H HA 0.352 4.908 4.556 -0.000 0.000 0.300 248 H C -0.097 175.108 175.328 -0.204 0.000 1.041 248 H CA 0.578 56.508 56.048 -0.196 0.000 1.364 248 H CB 0.337 30.008 29.762 -0.152 0.000 1.439 248 H HN 0.375 nan 8.280 nan 0.000 0.540 249 I N 0.699 121.181 120.570 -0.147 0.000 2.498 249 I HA 0.208 4.378 4.170 -0.000 0.000 0.290 249 I C -1.344 174.629 176.117 -0.240 0.000 1.032 249 I CA -0.911 60.318 61.300 -0.117 0.000 1.073 249 I CB 1.930 39.907 38.000 -0.038 0.000 1.251 249 I HN 0.041 nan 8.210 nan 0.000 0.426 250 Y N 3.404 123.695 120.300 -0.016 0.000 2.352 250 Y HA 0.460 5.010 4.550 -0.000 0.000 0.339 250 Y C 0.381 176.323 175.900 0.069 0.000 0.992 250 Y CA -0.612 57.534 58.100 0.077 0.000 1.100 250 Y CB 2.065 40.672 38.460 0.246 0.000 1.192 250 Y HN 0.407 nan 8.280 nan 0.000 0.458 251 S N 2.535 118.313 115.700 0.130 0.000 2.530 251 S HA 0.828 5.298 4.470 -0.000 0.000 0.322 251 S C -0.909 173.602 174.600 -0.149 0.000 1.085 251 S CA -0.508 57.689 58.200 -0.004 0.000 1.096 251 S CB 0.151 63.348 63.200 -0.006 0.000 0.988 251 S HN 0.745 nan 8.310 nan 0.000 0.466 252 A N 3.957 126.460 122.820 -0.527 0.000 2.323 252 A HA 0.620 4.940 4.320 -0.000 0.000 0.305 252 A C -0.033 176.881 177.584 -1.117 0.000 1.275 252 A CA -0.577 50.816 52.037 -1.074 0.000 0.804 252 A CB 0.882 18.431 19.000 -2.418 0.000 1.152 252 A HN 0.639 nan 8.150 nan 0.000 0.487 253 S N 4.524 119.964 115.700 -0.433 0.000 3.334 253 S HA 0.469 4.939 4.470 -0.000 0.000 0.188 253 S C -0.610 174.050 174.600 0.100 0.000 1.404 253 S CA -0.493 57.626 58.200 -0.135 0.000 1.040 253 S CB -0.689 62.587 63.200 0.127 0.000 1.352 253 S HN 0.768 nan 8.310 nan 0.000 0.501 254 W N -0.707 120.531 121.300 -0.103 0.000 2.926 254 W HA 0.689 5.349 4.660 -0.000 0.000 0.361 254 W C -0.313 176.304 176.519 0.163 0.000 1.195 254 W CA -1.043 56.292 57.345 -0.017 0.000 1.177 254 W CB 0.562 29.966 29.460 -0.092 0.000 1.453 254 W HN 0.375 nan 8.180 nan 0.000 0.571 255 G N 0.361 109.480 108.800 0.531 0.000 2.325 255 G HA2 0.498 4.458 3.960 -0.000 0.000 0.295 255 G HA3 0.498 4.458 3.960 -0.000 0.000 0.295 255 G C -3.296 171.768 174.900 0.273 0.000 1.274 255 G CA -0.971 44.346 45.100 0.362 0.000 0.857 255 G HN 0.271 nan 8.290 nan 0.000 0.499 256 P HA 0.368 nan 4.420 nan 0.000 0.271 256 P C -0.196 177.190 177.300 0.144 0.000 1.233 256 P CA -0.241 62.978 63.100 0.198 0.000 0.789 256 P CB 0.518 32.349 31.700 0.219 0.000 0.951 257 E N 1.013 121.275 120.200 0.104 0.000 2.608 257 E HA -0.101 4.249 4.350 -0.000 0.000 0.259 257 E C -0.281 176.368 176.600 0.081 0.000 0.951 257 E CA 0.849 57.296 56.400 0.078 0.000 0.945 257 E CB -0.250 29.483 29.700 0.056 0.000 0.916 257 E HN 0.226 nan 8.360 nan 0.000 0.477 258 D N 4.060 124.507 120.400 0.078 0.000 3.072 258 D HA 0.010 4.650 4.640 -0.000 0.000 0.250 258 D C -0.217 176.124 176.300 0.068 0.000 1.304 258 D CA 0.037 54.085 54.000 0.080 0.000 0.861 258 D CB 0.133 40.982 40.800 0.082 0.000 1.062 258 D HN 0.490 nan 8.370 nan 0.000 0.481 259 D N -1.067 119.366 120.400 0.056 0.000 2.339 259 D HA 0.047 4.687 4.640 -0.000 0.000 0.217 259 D C 1.547 177.880 176.300 0.054 0.000 1.050 259 D CA 0.128 54.148 54.000 0.033 0.000 0.856 259 D CB 0.017 40.829 40.800 0.019 0.000 0.922 259 D HN 0.186 nan 8.370 nan 0.000 0.518 260 G N 0.645 109.495 108.800 0.084 0.000 2.143 260 G HA2 -0.355 3.605 3.960 -0.000 0.000 0.248 260 G HA3 -0.355 3.605 3.960 -0.000 0.000 0.248 260 G C 0.830 175.791 174.900 0.102 0.000 0.991 260 G CA 0.614 45.786 45.100 0.120 0.000 0.689 260 G HN 0.493 nan 8.290 nan 0.000 0.522 261 K N -0.918 119.522 120.400 0.067 0.000 2.502 261 K HA 0.204 4.523 4.320 -0.000 0.000 0.211 261 K C 1.041 177.639 176.600 -0.003 0.000 1.259 261 K CA 0.654 56.967 56.287 0.043 0.000 0.983 261 K CB 1.033 33.574 32.500 0.069 0.000 1.054 261 K HN 0.381 nan 8.250 nan 0.000 0.572 262 T N 0.009 114.562 114.554 -0.001 0.000 2.902 262 T HA 0.463 4.813 4.350 -0.000 0.000 0.283 262 T C -0.619 174.031 174.700 -0.084 0.000 1.009 262 T CA -0.574 61.506 62.100 -0.034 0.000 1.051 262 T CB 1.391 70.261 68.868 0.004 0.000 0.999 262 T HN -0.191 nan 8.240 nan 0.000 0.474 263 V N 4.508 124.320 119.914 -0.169 0.000 2.380 263 V HA 0.593 4.713 4.120 -0.000 0.000 0.286 263 V C -0.772 175.154 176.094 -0.281 0.000 1.015 263 V CA -0.625 61.460 62.300 -0.359 0.000 0.834 263 V CB 1.222 32.707 31.823 -0.563 0.000 1.009 263 V HN 1.058 nan 8.190 nan 0.000 0.428 264 D N 2.618 122.945 120.400 -0.121 0.000 2.609 264 D HA 0.807 5.447 4.640 -0.000 0.000 0.239 264 D C -0.149 176.335 176.300 0.307 0.000 1.229 264 D CA 0.239 54.295 54.000 0.092 0.000 0.808 264 D CB 2.609 43.485 40.800 0.126 0.000 1.448 264 D HN 0.721 nan 8.370 nan 0.000 0.433 265 G N 0.256 109.228 108.800 0.285 0.000 2.682 265 G HA2 0.615 4.575 3.960 -0.000 0.000 0.303 265 G HA3 0.615 4.575 3.960 -0.000 0.000 0.303 265 G C -2.795 172.022 174.900 -0.138 0.000 1.341 265 G CA -0.985 44.139 45.100 0.040 0.000 0.784 265 G HN 0.420 nan 8.290 nan 0.000 0.497 266 P HA 0.393 nan 4.420 nan 0.000 0.269 266 P C 0.141 177.420 177.300 -0.035 0.000 1.209 266 P CA 0.305 63.265 63.100 -0.233 0.000 0.776 266 P CB 1.408 32.947 31.700 -0.267 0.000 0.876 267 A N 3.490 126.338 122.820 0.047 0.000 2.621 267 A HA 0.303 4.623 4.320 -0.000 0.000 0.267 267 A C 1.785 179.376 177.584 0.011 0.000 1.506 267 A CA -0.228 51.831 52.037 0.037 0.000 0.873 267 A CB -0.085 18.949 19.000 0.056 0.000 1.577 267 A HN 0.354 nan 8.150 nan 0.000 0.536 268 R N -1.211 119.294 120.500 0.009 0.000 2.097 268 R HA -0.114 4.226 4.340 -0.000 0.000 0.236 268 R C 1.973 178.266 176.300 -0.012 0.000 1.135 268 R CA 2.148 58.247 56.100 -0.002 0.000 0.934 268 R CB -0.839 29.460 30.300 -0.001 0.000 0.846 268 R HN 0.660 nan 8.270 nan 0.000 0.431 269 L N -0.714 120.501 121.223 -0.013 0.000 2.093 269 L HA -0.082 4.258 4.340 -0.000 0.000 0.208 269 L C 2.426 179.260 176.870 -0.061 0.000 1.085 269 L CA 1.191 56.013 54.840 -0.029 0.000 0.755 269 L CB -0.552 41.493 42.059 -0.024 0.000 0.904 269 L HN 0.296 nan 8.230 nan 0.000 0.435 270 A N -0.028 122.758 122.820 -0.057 0.000 1.898 270 A HA -0.238 4.082 4.320 -0.000 0.000 0.216 270 A C 2.175 179.665 177.584 -0.157 0.000 1.181 270 A CA 1.738 53.693 52.037 -0.136 0.000 0.620 270 A CB -0.407 18.572 19.000 -0.035 0.000 0.819 270 A HN 0.355 nan 8.150 nan 0.000 0.442 271 E N 0.355 120.537 120.200 -0.031 0.000 2.085 271 E HA -0.194 4.156 4.350 -0.000 0.000 0.194 271 E C 1.881 178.490 176.600 0.014 0.000 0.994 271 E CA 1.832 58.261 56.400 0.048 0.000 0.801 271 E CB -0.250 29.460 29.700 0.016 0.000 0.743 271 E HN 0.715 nan 8.360 nan 0.000 0.453 272 E N -0.384 119.801 120.200 -0.024 0.000 2.077 272 E HA -0.189 4.161 4.350 -0.000 0.000 0.193 272 E C 2.052 178.617 176.600 -0.058 0.000 0.989 272 E CA 0.895 57.286 56.400 -0.014 0.000 0.800 272 E CB -0.232 29.458 29.700 -0.016 0.000 0.746 272 E HN 0.379 nan 8.360 nan 0.000 0.452 273 A N 0.872 123.609 122.820 -0.138 0.000 1.883 273 A HA -0.207 4.113 4.320 -0.000 0.000 0.217 273 A C 1.970 179.392 177.584 -0.269 0.000 1.186 273 A CA 1.288 53.195 52.037 -0.215 0.000 0.624 273 A CB -0.962 17.854 19.000 -0.307 0.000 0.822 273 A HN 0.231 nan 8.150 nan 0.000 0.444 274 F N -1.848 117.884 119.950 -0.365 0.000 2.069 274 F HA -0.179 4.348 4.527 -0.000 0.000 0.298 274 F C 2.174 177.532 175.800 -0.737 0.000 1.113 274 F CA 1.689 59.323 58.000 -0.610 0.000 1.214 274 F CB -0.340 38.320 39.000 -0.566 0.000 0.978 274 F HN 0.351 nan 8.300 nan 0.000 0.474 275 F N 0.674 120.238 119.950 -0.644 0.000 2.186 275 F HA -0.124 4.403 4.527 -0.000 0.000 0.299 275 F C 2.614 178.201 175.800 -0.355 0.000 1.090 275 F CA 1.264 58.831 58.000 -0.721 0.000 1.307 275 F CB -0.306 38.427 39.000 -0.444 0.000 1.019 275 F HN -0.255 nan 8.300 nan 0.000 0.489 276 R N 0.191 120.552 120.500 -0.230 0.000 2.081 276 R HA -0.115 4.225 4.340 -0.000 0.000 0.235 276 R C 2.402 178.561 176.300 -0.234 0.000 1.131 276 R CA 1.510 57.487 56.100 -0.205 0.000 0.960 276 R CB -0.996 29.255 30.300 -0.082 0.000 0.856 276 R HN 0.443 nan 8.270 nan 0.000 0.436 277 G N -0.281 108.425 108.800 -0.156 0.000 2.408 277 G HA2 -0.176 3.784 3.960 -0.000 0.000 0.217 277 G HA3 -0.176 3.784 3.960 -0.000 0.000 0.217 277 G C 1.329 176.122 174.900 -0.179 0.000 1.150 277 G CA 0.477 45.546 45.100 -0.051 0.000 0.776 277 G HN 0.243 nan 8.290 nan 0.000 0.542 278 V N 0.692 120.385 119.914 -0.368 0.000 2.809 278 V HA -0.075 4.045 4.120 -0.000 0.000 0.256 278 V C 2.850 178.607 176.094 -0.561 0.000 1.080 278 V CA 2.090 63.974 62.300 -0.693 0.000 1.102 278 V CB 0.239 31.334 31.823 -1.214 0.000 0.705 278 V HN 0.362 nan 8.190 nan 0.000 0.475 279 S N -0.962 114.405 115.700 -0.554 0.000 2.427 279 S HA -0.022 4.448 4.470 -0.000 0.000 0.224 279 S C 1.711 176.214 174.600 -0.161 0.000 1.047 279 S CA 0.537 58.510 58.200 -0.380 0.000 0.953 279 S CB 0.102 62.954 63.200 -0.580 0.000 0.824 279 S HN 0.641 nan 8.310 nan 0.000 0.502 280 Q N 0.544 120.252 119.800 -0.153 0.000 2.350 280 Q HA 0.274 4.614 4.340 -0.000 0.000 0.225 280 Q C 1.046 177.025 176.000 -0.036 0.000 0.878 280 Q CA -0.072 55.691 55.803 -0.067 0.000 0.935 280 Q CB 0.326 29.028 28.738 -0.060 0.000 1.099 280 Q HN 0.439 nan 8.270 nan 0.000 0.527 281 G N 0.871 109.642 108.800 -0.049 0.000 2.690 281 G HA2 0.030 3.990 3.960 -0.000 0.000 0.239 281 G HA3 0.030 3.990 3.960 -0.000 0.000 0.239 281 G C -0.333 174.576 174.900 0.014 0.000 1.233 281 G CA -0.388 44.704 45.100 -0.013 0.000 0.847 281 G HN 0.315 nan 8.290 nan 0.000 0.588 282 R N -0.567 119.947 120.500 0.023 0.000 3.322 282 R HA -0.192 4.148 4.340 -0.000 0.000 0.253 282 R C 1.443 177.774 176.300 0.052 0.000 0.987 282 R CA 0.781 56.911 56.100 0.049 0.000 0.666 282 R CB -1.643 28.710 30.300 0.088 0.000 1.072 282 R HN 2.005 nan 8.270 nan 0.000 0.447 283 G N -1.511 107.310 108.800 0.036 0.000 2.283 283 G HA2 -0.151 3.809 3.960 -0.000 0.000 0.280 283 G HA3 -0.151 3.809 3.960 -0.000 0.000 0.280 283 G C 0.982 175.906 174.900 0.040 0.000 1.029 283 G CA 1.064 46.186 45.100 0.036 0.000 0.840 283 G HN 1.462 nan 8.290 nan 0.000 0.505 284 G N -1.883 106.940 108.800 0.038 0.000 2.194 284 G HA2 -0.255 3.705 3.960 -0.000 0.000 0.236 284 G HA3 -0.255 3.705 3.960 -0.000 0.000 0.236 284 G C 1.160 176.113 174.900 0.089 0.000 0.987 284 G CA 0.685 45.814 45.100 0.049 0.000 0.635 284 G HN 1.138 nan 8.290 nan 0.000 0.520 285 L N 0.844 122.126 121.223 0.098 0.000 2.341 285 L HA 0.444 4.784 4.340 -0.000 0.000 0.214 285 L C 1.563 178.569 176.870 0.226 0.000 1.115 285 L CA 0.971 55.895 54.840 0.139 0.000 0.820 285 L CB -0.330 41.792 42.059 0.106 0.000 0.944 285 L HN 1.253 nan 8.230 nan 0.000 0.452 286 G N -0.112 108.777 108.800 0.148 0.000 3.067 286 G HA2 -0.165 3.795 3.960 -0.000 0.000 0.686 286 G HA3 -0.165 3.795 3.960 -0.000 0.000 0.686 286 G C -0.389 174.527 174.900 0.027 0.000 1.119 286 G CA -0.702 44.458 45.100 0.100 0.000 0.790 286 G HN -0.007 nan 8.290 nan 0.000 0.605 287 S N 0.525 116.145 115.700 -0.134 0.000 2.572 287 S HA 0.480 4.950 4.470 -0.000 0.000 0.279 287 S C 0.916 175.289 174.600 -0.380 0.000 1.341 287 S CA 0.035 58.077 58.200 -0.264 0.000 1.043 287 S CB 0.740 63.622 63.200 -0.532 0.000 0.887 287 S HN 0.599 nan 8.310 nan 0.000 0.516 288 I N 2.897 123.315 120.570 -0.253 0.000 2.328 288 I HA 0.306 4.476 4.170 -0.000 0.000 0.287 288 I C -1.091 174.969 176.117 -0.096 0.000 1.012 288 I CA -0.200 61.043 61.300 -0.095 0.000 1.195 288 I CB 0.571 38.594 38.000 0.039 0.000 1.350 288 I HN 0.485 nan 8.210 nan 0.000 0.464 289 F N 6.202 126.336 119.950 0.307 0.000 2.361 289 F HA 0.406 4.933 4.527 -0.000 0.000 0.364 289 F C 0.106 176.103 175.800 0.327 0.000 1.120 289 F CA -0.912 57.310 58.000 0.370 0.000 1.102 289 F CB 1.124 40.413 39.000 0.482 0.000 1.183 289 F HN 0.058 nan 8.300 nan 0.000 0.476 290 V N 3.738 123.887 119.914 0.393 0.000 2.439 290 V HA 0.260 4.380 4.120 -0.000 0.000 0.282 290 V C -0.543 175.678 176.094 0.211 0.000 1.039 290 V CA -0.812 61.641 62.300 0.254 0.000 0.913 290 V CB 1.408 33.304 31.823 0.122 0.000 0.983 290 V HN 0.717 nan 8.190 nan 0.000 0.460 291 W N 2.758 124.089 121.300 0.052 0.000 2.844 291 W HA 0.721 5.381 4.660 -0.000 0.000 0.340 291 W C -0.189 176.318 176.519 -0.021 0.000 1.093 291 W CA -1.023 56.311 57.345 -0.018 0.000 1.212 291 W CB 2.388 31.831 29.460 -0.029 0.000 1.422 291 W HN 0.599 nan 8.180 nan 0.000 0.515 292 A N 2.033 124.885 122.820 0.054 0.000 2.362 292 A HA 0.292 4.612 4.320 -0.000 0.000 0.276 292 A C 1.112 178.820 177.584 0.206 0.000 1.153 292 A CA 0.349 52.435 52.037 0.082 0.000 0.813 292 A CB 0.660 19.659 19.000 -0.001 0.000 1.081 292 A HN 0.653 nan 8.150 nan 0.000 0.507 293 S N 2.290 118.080 115.700 0.151 0.000 2.474 293 S HA 0.368 4.838 4.470 -0.000 0.000 0.235 293 S C 0.947 175.624 174.600 0.128 0.000 0.997 293 S CA 0.651 58.935 58.200 0.142 0.000 0.949 293 S CB -0.549 62.707 63.200 0.094 0.000 0.766 293 S HN 2.562 nan 8.310 nan 0.000 0.517 294 G N 0.447 109.314 108.800 0.113 0.000 2.453 294 G HA2 0.072 4.032 3.960 -0.000 0.000 0.665 294 G HA3 0.072 4.032 3.960 -0.000 0.000 0.665 294 G C -0.769 174.177 174.900 0.076 0.000 1.411 294 G CA -0.576 44.584 45.100 0.099 0.000 0.889 294 G HN 0.114 nan 8.290 nan 0.000 0.651 295 N N 0.059 118.789 118.700 0.051 0.000 2.275 295 N HA 0.191 4.931 4.740 -0.000 0.000 0.236 295 N C 1.555 177.094 175.510 0.049 0.000 1.154 295 N CA 0.562 53.624 53.050 0.019 0.000 0.866 295 N CB 1.291 39.724 38.487 -0.090 0.000 1.093 295 N HN 0.920 nan 8.380 nan 0.000 0.515 296 G N -0.235 108.604 108.800 0.066 0.000 3.327 296 G HA2 0.108 4.068 3.960 -0.000 0.000 0.240 296 G HA3 0.108 4.068 3.960 -0.000 0.000 0.240 296 G C 1.356 176.293 174.900 0.061 0.000 1.222 296 G CA 0.144 45.291 45.100 0.079 0.000 0.871 296 G HN 0.258 nan 8.290 nan 0.000 0.525 297 G N 1.139 109.957 108.800 0.030 0.000 2.491 297 G HA2 -0.291 3.669 3.960 -0.000 0.000 0.218 297 G HA3 -0.291 3.669 3.960 -0.000 0.000 0.218 297 G C 1.702 176.562 174.900 -0.065 0.000 1.180 297 G CA 0.810 45.888 45.100 -0.037 0.000 0.774 297 G HN 0.483 nan 8.290 nan 0.000 0.562 298 R N 0.203 120.776 120.500 0.121 0.000 2.159 298 R HA -0.056 4.284 4.340 -0.000 0.000 0.237 298 R C 1.741 178.081 176.300 0.068 0.000 1.131 298 R CA 1.267 57.439 56.100 0.120 0.000 0.982 298 R CB 0.053 30.531 30.300 0.296 0.000 0.868 298 R HN 0.264 nan 8.270 nan 0.000 0.453 299 E N -0.645 119.619 120.200 0.108 0.000 2.479 299 E HA -0.015 4.335 4.350 -0.000 0.000 0.193 299 E C -0.479 176.326 176.600 0.341 0.000 1.049 299 E CA 0.162 56.711 56.400 0.249 0.000 0.870 299 E CB 0.100 29.881 29.700 0.136 0.000 0.944 299 E HN 0.396 nan 8.360 nan 0.000 0.492 300 H N 0.329 119.489 119.070 0.150 0.000 2.862 300 H HA -0.161 4.395 4.556 -0.000 0.000 0.290 300 H C -0.090 175.279 175.328 0.069 0.000 1.211 300 H CA 0.851 56.948 56.048 0.082 0.000 1.140 300 H CB -1.247 28.542 29.762 0.045 0.000 1.341 300 H HN 0.092 nan 8.280 nan 0.000 0.392 301 D N -0.099 120.373 120.400 0.120 0.000 2.368 301 D HA 0.305 4.945 4.640 -0.000 0.000 0.240 301 D C 0.203 176.549 176.300 0.077 0.000 1.169 301 D CA 0.233 54.294 54.000 0.102 0.000 0.906 301 D CB 0.917 41.771 40.800 0.090 0.000 1.187 301 D HN 0.221 nan 8.370 nan 0.000 0.435 302 S N 0.759 116.507 115.700 0.081 0.000 2.552 302 S HA 0.263 4.733 4.470 -0.000 0.000 0.314 302 S C 1.117 175.776 174.600 0.097 0.000 1.099 302 S CA -0.837 57.409 58.200 0.076 0.000 1.070 302 S CB 0.146 63.395 63.200 0.082 0.000 0.998 302 S HN 0.600 nan 8.310 nan 0.000 0.474 303 c N 3.689 122.341 118.600 0.087 0.000 2.485 303 c HA 0.174 4.744 4.570 -0.000 0.000 0.283 303 c C 1.751 175.917 174.090 0.126 0.000 1.478 303 c CA -0.263 56.126 56.329 0.101 0.000 1.741 303 c CB -2.089 40.470 42.510 0.081 0.000 1.675 303 c HN 0.810 nan 8.230 nan 0.000 0.573 304 N N 0.104 118.899 118.700 0.159 0.000 2.467 304 N HA 0.034 4.774 4.740 -0.000 0.000 0.184 304 N C 0.862 176.591 175.510 0.365 0.000 1.106 304 N CA 0.570 53.758 53.050 0.230 0.000 0.892 304 N CB -0.309 38.358 38.487 0.300 0.000 0.969 304 N HN 0.599 nan 8.380 nan 0.000 0.454 305 C N 0.137 119.589 119.300 0.254 0.000 2.693 305 C HA 0.205 4.665 4.460 -0.000 0.000 0.286 305 C C 0.453 175.558 174.990 0.191 0.000 1.277 305 C CA -0.835 58.259 59.018 0.127 0.000 1.705 305 C CB -1.136 26.621 27.740 0.029 0.000 1.879 305 C HN 0.227 nan 8.230 nan 0.000 0.607 306 D N 0.267 120.842 120.400 0.293 0.000 2.461 306 D HA 0.256 4.896 4.640 -0.000 0.000 0.240 306 D C 1.189 177.620 176.300 0.218 0.000 1.094 306 D CA -0.110 54.045 54.000 0.259 0.000 0.868 306 D CB 1.247 42.153 40.800 0.178 0.000 1.062 306 D HN 0.257 nan 8.370 nan 0.000 0.530 307 G N 2.326 111.283 108.800 0.260 0.000 2.498 307 G HA2 -0.267 3.693 3.960 -0.000 0.000 0.219 307 G HA3 -0.267 3.693 3.960 -0.000 0.000 0.219 307 G C 0.819 175.421 174.900 -0.496 0.000 1.119 307 G CA 0.801 45.804 45.100 -0.162 0.000 0.766 307 G HN 0.492 nan 8.290 nan 0.000 0.552 308 Y N 1.037 121.119 120.300 -0.364 0.000 2.231 308 Y HA -0.019 4.531 4.550 -0.000 0.000 0.294 308 Y C 3.270 178.607 175.900 -0.938 0.000 1.120 308 Y CA 1.520 59.101 58.100 -0.864 0.000 1.141 308 Y CB -0.625 37.071 38.460 -1.274 0.000 1.022 308 Y HN 0.227 nan 8.280 nan 0.000 0.523 309 T N -2.139 112.156 114.554 -0.433 0.000 2.904 309 T HA -0.147 4.202 4.350 -0.000 0.000 0.267 309 T C 1.582 176.170 174.700 -0.187 0.000 1.059 309 T CA 1.463 63.424 62.100 -0.230 0.000 1.137 309 T CB -0.593 68.263 68.868 -0.019 0.000 0.879 309 T HN 0.188 nan 8.240 nan 0.000 0.467 310 N N 1.329 119.909 118.700 -0.201 0.000 2.515 310 N HA 0.064 4.804 4.740 -0.000 0.000 0.185 310 N C 0.525 175.831 175.510 -0.339 0.000 1.109 310 N CA 0.092 53.020 53.050 -0.205 0.000 0.903 310 N CB -0.203 38.175 38.487 -0.183 0.000 0.969 310 N HN 0.402 nan 8.380 nan 0.000 0.450 311 S N -0.313 115.108 115.700 -0.466 0.000 2.576 311 S HA 0.084 4.554 4.470 -0.000 0.000 0.276 311 S C 1.599 175.862 174.600 -0.561 0.000 1.339 311 S CA -0.620 57.212 58.200 -0.613 0.000 1.039 311 S CB 0.225 62.919 63.200 -0.842 0.000 0.902 311 S HN 0.328 nan 8.310 nan 0.000 0.516 312 I N 2.142 122.234 120.570 -0.798 0.000 2.928 312 I HA 0.046 4.216 4.170 -0.000 0.000 0.266 312 I C 0.864 176.630 176.117 -0.585 0.000 1.234 312 I CA 0.835 61.610 61.300 -0.874 0.000 1.483 312 I CB -0.410 36.740 38.000 -1.417 0.000 1.097 312 I HN 0.707 nan 8.210 nan 0.000 0.455 313 Y N 2.708 122.758 120.300 -0.416 0.000 2.583 313 Y HA 0.089 4.639 4.550 -0.000 0.000 0.293 313 Y C 1.406 177.260 175.900 -0.077 0.000 1.157 313 Y CA 0.179 58.069 58.100 -0.350 0.000 1.315 313 Y CB -0.215 37.907 38.460 -0.562 0.000 1.021 313 Y HN 0.290 nan 8.280 nan 0.000 0.536 314 T N -1.787 112.748 114.554 -0.033 0.000 2.912 314 T HA 0.599 4.949 4.350 -0.000 0.000 0.288 314 T C -0.844 173.966 174.700 0.183 0.000 1.030 314 T CA -0.944 61.249 62.100 0.154 0.000 1.020 314 T CB 1.867 70.749 68.868 0.023 0.000 1.056 314 T HN -0.073 nan 8.240 nan 0.000 0.480 315 L N 2.690 124.060 121.223 0.245 0.000 2.272 315 L HA 0.467 4.807 4.340 -0.000 0.000 0.284 315 L C 0.743 177.718 176.870 0.175 0.000 1.045 315 L CA -0.265 54.678 54.840 0.172 0.000 0.842 315 L CB 1.112 43.252 42.059 0.134 0.000 1.224 315 L HN 0.820 nan 8.230 nan 0.000 0.430 316 S N 4.429 120.212 115.700 0.138 0.000 2.499 316 S HA 0.539 5.009 4.470 -0.000 0.000 0.275 316 S C -0.089 174.577 174.600 0.111 0.000 1.257 316 S CA -0.554 57.733 58.200 0.146 0.000 1.050 316 S CB 0.030 63.288 63.200 0.097 0.000 0.937 316 S HN 0.319 nan 8.310 nan 0.000 0.490 317 I N 4.291 124.930 120.570 0.114 0.000 2.404 317 I HA 0.403 4.573 4.170 -0.000 0.000 0.293 317 I C 0.653 176.812 176.117 0.071 0.000 0.992 317 I CA -0.349 60.996 61.300 0.075 0.000 1.149 317 I CB 1.312 39.344 38.000 0.053 0.000 1.315 317 I HN 0.534 nan 8.210 nan 0.000 0.446 318 S N 3.403 119.144 115.700 0.068 0.000 2.768 318 S HA 0.715 5.185 4.470 -0.000 0.000 0.300 318 S C 0.053 174.705 174.600 0.087 0.000 1.122 318 S CA -0.495 57.748 58.200 0.072 0.000 0.995 318 S CB 1.767 64.997 63.200 0.050 0.000 1.195 318 S HN 0.660 nan 8.310 nan 0.000 0.547 319 S N -0.005 115.761 115.700 0.109 0.000 2.638 319 S HA 0.887 5.357 4.470 -0.000 0.000 0.302 319 S C -0.899 173.804 174.600 0.172 0.000 1.096 319 S CA -0.731 57.546 58.200 0.128 0.000 0.953 319 S CB 1.724 65.054 63.200 0.216 0.000 1.107 319 S HN 0.923 nan 8.310 nan 0.000 0.503 320 A N 1.374 124.291 122.820 0.161 0.000 2.486 320 A HA 0.759 5.079 4.320 -0.000 0.000 0.300 320 A C 0.010 177.779 177.584 0.308 0.000 1.048 320 A CA -0.803 51.363 52.037 0.214 0.000 0.696 320 A CB 0.882 19.872 19.000 -0.016 0.000 1.278 320 A HN 0.824 nan 8.150 nan 0.000 0.405 321 T N -0.891 113.822 114.554 0.265 0.000 2.788 321 T HA 0.239 4.589 4.350 -0.000 0.000 0.287 321 T C 1.134 175.983 174.700 0.249 0.000 1.007 321 T CA 0.491 62.721 62.100 0.217 0.000 1.005 321 T CB 0.745 69.658 68.868 0.075 0.000 1.012 321 T HN 0.789 nan 8.240 nan 0.000 0.530 322 Q N -0.068 119.630 119.800 -0.169 0.000 2.197 322 Q HA -0.121 4.219 4.340 -0.000 0.000 0.207 322 Q C 0.966 176.769 176.000 -0.327 0.000 0.984 322 Q CA 1.666 57.067 55.803 -0.669 0.000 0.869 322 Q CB -0.341 27.459 28.738 -1.563 0.000 0.906 322 Q HN 0.863 nan 8.270 nan 0.000 0.426 323 F N -0.654 119.298 119.950 0.002 0.000 2.645 323 F HA 0.304 4.831 4.527 -0.000 0.000 0.300 323 F C 1.181 177.067 175.800 0.142 0.000 1.115 323 F CA -0.127 57.898 58.000 0.042 0.000 1.355 323 F CB 0.634 39.640 39.000 0.011 0.000 1.026 323 F HN 0.242 nan 8.300 nan 0.000 0.536 324 G N 1.077 110.095 108.800 0.363 0.000 2.221 324 G HA2 -0.277 3.683 3.960 -0.000 0.000 0.265 324 G HA3 -0.277 3.683 3.960 -0.000 0.000 0.265 324 G C -0.262 174.805 174.900 0.279 0.000 1.041 324 G CA -0.269 45.024 45.100 0.321 0.000 0.807 324 G HN 0.357 nan 8.290 nan 0.000 0.502 325 N N -1.089 117.775 118.700 0.273 0.000 2.483 325 N HA 0.533 5.273 4.740 -0.000 0.000 0.285 325 N C 0.287 175.946 175.510 0.249 0.000 1.210 325 N CA -0.581 52.623 53.050 0.256 0.000 0.931 325 N CB 1.601 40.205 38.487 0.196 0.000 1.220 325 N HN 0.016 nan 8.380 nan 0.000 0.542 326 V N 2.759 122.769 119.914 0.160 0.000 2.439 326 V HA 0.153 4.273 4.120 -0.000 0.000 0.271 326 V C -1.810 174.223 176.094 -0.102 0.000 1.040 326 V CA -1.003 61.287 62.300 -0.018 0.000 1.002 326 V CB 0.267 31.999 31.823 -0.152 0.000 1.000 326 V HN 0.537 nan 8.190 nan 0.000 0.477 327 P HA -0.014 nan 4.420 nan 0.000 0.269 327 P C 0.924 177.893 177.300 -0.553 0.000 1.217 327 P CA -0.204 62.563 63.100 -0.555 0.000 0.783 327 P CB 0.356 31.299 31.700 -1.261 0.000 0.898 328 W N 2.028 123.109 121.300 -0.365 0.000 2.465 328 W HA -0.155 4.505 4.660 -0.000 0.000 0.268 328 W C 0.730 177.154 176.519 -0.158 0.000 1.242 328 W CA 0.713 57.948 57.345 -0.184 0.000 1.248 328 W CB -1.449 27.987 29.460 -0.041 0.000 1.118 328 W HN 0.433 nan 8.180 nan 0.000 0.587 329 Y N 1.314 121.127 120.300 -0.810 0.000 2.482 329 Y HA 0.403 4.953 4.550 -0.000 0.000 0.270 329 Y C 1.314 177.010 175.900 -0.340 0.000 1.152 329 Y CA -0.491 57.159 58.100 -0.750 0.000 1.292 329 Y CB -1.428 36.292 38.460 -1.233 0.000 1.070 329 Y HN -0.176 nan 8.280 nan 0.000 0.528 330 S N 1.902 117.316 115.700 -0.476 0.000 2.537 330 S HA 0.052 4.522 4.470 -0.000 0.000 0.286 330 S C -0.237 174.284 174.600 -0.131 0.000 1.299 330 S CA -0.485 57.568 58.200 -0.244 0.000 1.067 330 S CB 0.162 63.161 63.200 -0.335 0.000 0.864 330 S HN 0.521 nan 8.310 nan 0.000 0.494 331 E N 2.530 122.695 120.200 -0.058 0.000 2.191 331 E HA 0.578 4.928 4.350 -0.000 0.000 0.278 331 E C -0.402 176.171 176.600 -0.045 0.000 0.972 331 E CA -0.762 55.620 56.400 -0.030 0.000 0.804 331 E CB 1.652 31.365 29.700 0.022 0.000 1.110 331 E HN 0.697 nan 8.360 nan 0.000 0.394 332 A N 2.001 124.795 122.820 -0.044 0.000 2.303 332 A HA 0.727 5.047 4.320 -0.000 0.000 0.317 332 A C -0.272 177.320 177.584 0.014 0.000 1.149 332 A CA -0.458 51.555 52.037 -0.040 0.000 0.822 332 A CB 0.287 19.248 19.000 -0.064 0.000 1.131 332 A HN 0.863 nan 8.150 nan 0.000 0.493 333 c N -0.656 117.980 118.600 0.061 0.000 3.197 333 c HA 0.600 5.170 4.570 -0.000 0.000 0.343 333 c C 0.960 175.097 174.090 0.078 0.000 1.291 333 c CA 0.050 56.430 56.329 0.085 0.000 1.191 333 c CB 0.834 43.383 42.510 0.066 0.000 1.444 333 c HN 1.426 nan 8.230 nan 0.000 0.468 334 S N 0.282 115.990 115.700 0.013 0.000 2.562 334 S HA 0.008 4.478 4.470 -0.000 0.000 0.221 334 S C 1.207 175.739 174.600 -0.114 0.000 0.975 334 S CA 1.028 59.048 58.200 -0.300 0.000 0.918 334 S CB -0.452 62.537 63.200 -0.352 0.000 0.772 334 S HN 1.788 nan 8.310 nan 0.000 0.531 335 S N 0.521 116.223 115.700 0.003 0.000 2.528 335 S HA 0.113 4.583 4.470 -0.000 0.000 0.219 335 S C 0.699 175.341 174.600 0.071 0.000 0.985 335 S CA -0.212 58.017 58.200 0.048 0.000 0.914 335 S CB -0.763 62.451 63.200 0.023 0.000 0.776 335 S HN 0.372 nan 8.310 nan 0.000 0.526 336 T N 2.896 117.487 114.554 0.062 0.000 2.940 336 T HA 0.257 4.607 4.350 -0.000 0.000 0.309 336 T C 0.753 175.501 174.700 0.080 0.000 1.056 336 T CA -0.091 62.048 62.100 0.065 0.000 1.137 336 T CB 1.040 69.933 68.868 0.043 0.000 0.976 336 T HN 0.161 nan 8.240 nan 0.000 0.547 337 L N 2.478 123.745 121.223 0.074 0.000 2.349 337 L HA 0.614 4.954 4.340 -0.000 0.000 0.200 337 L C 0.797 177.721 176.870 0.090 0.000 1.064 337 L CA 1.043 55.929 54.840 0.075 0.000 0.821 337 L CB -0.291 41.773 42.059 0.008 0.000 1.027 337 L HN 0.805 nan 8.230 nan 0.000 0.476 338 A N -2.370 120.486 122.820 0.060 0.000 2.533 338 A HA 0.776 5.096 4.320 -0.000 0.000 0.293 338 A C -0.895 176.723 177.584 0.055 0.000 1.228 338 A CA -0.249 51.823 52.037 0.058 0.000 0.689 338 A CB 0.836 19.844 19.000 0.013 0.000 1.303 338 A HN 0.008 nan 8.150 nan 0.000 0.444 339 T N 0.079 114.653 114.554 0.032 0.000 2.901 339 T HA 0.792 5.142 4.350 -0.000 0.000 0.293 339 T C -0.760 173.898 174.700 -0.070 0.000 1.084 339 T CA -0.329 61.780 62.100 0.015 0.000 1.008 339 T CB 1.879 70.776 68.868 0.049 0.000 1.170 339 T HN 0.737 nan 8.240 nan 0.000 0.509 340 T N 0.784 115.289 114.554 -0.082 0.000 2.900 340 T HA 0.528 4.878 4.350 -0.000 0.000 0.303 340 T C -1.187 173.442 174.700 -0.117 0.000 1.142 340 T CA -0.569 61.462 62.100 -0.115 0.000 1.007 340 T CB 0.944 69.777 68.868 -0.057 0.000 1.156 340 T HN 0.447 nan 8.240 nan 0.000 0.490 341 Y N 1.104 121.386 120.300 -0.030 0.000 2.426 341 Y HA 0.480 5.030 4.550 -0.000 0.000 0.344 341 Y C 1.249 177.093 175.900 -0.094 0.000 1.256 341 Y CA 0.768 58.871 58.100 0.004 0.000 1.451 341 Y CB 0.933 39.377 38.460 -0.027 0.000 1.342 341 Y HN 0.589 nan 8.280 nan 0.000 0.600 342 S N -0.440 115.421 115.700 0.268 0.000 2.815 342 S HA 0.368 4.838 4.470 -0.000 0.000 0.296 342 S C -1.043 173.728 174.600 0.285 0.000 1.224 342 S CA -0.464 57.808 58.200 0.120 0.000 0.938 342 S CB -0.065 63.180 63.200 0.075 0.000 1.285 342 S HN 0.723 nan 8.310 nan 0.000 0.549 343 S N -0.054 115.771 115.700 0.208 0.000 2.600 343 S HA 0.733 5.203 4.470 -0.000 0.000 0.265 343 S C 0.604 175.376 174.600 0.287 0.000 1.325 343 S CA 0.324 58.668 58.200 0.241 0.000 1.002 343 S CB 0.648 63.956 63.200 0.181 0.000 0.921 343 S HN 1.285 nan 8.310 nan 0.000 0.554 344 G N 1.053 109.985 108.800 0.221 0.000 3.265 344 G HA2 0.454 4.414 3.960 -0.000 0.000 0.171 344 G HA3 0.454 4.414 3.960 -0.000 0.000 0.171 344 G C -0.559 174.511 174.900 0.284 0.000 1.110 344 G CA -0.428 44.790 45.100 0.198 0.000 0.855 344 G HN 0.899 nan 8.290 nan 0.000 0.658 345 N N -0.201 118.611 118.700 0.188 0.000 2.322 345 N HA 0.143 4.883 4.740 -0.000 0.000 0.270 345 N C 0.982 176.559 175.510 0.110 0.000 1.286 345 N CA -0.131 53.021 53.050 0.171 0.000 0.948 345 N CB 0.434 38.999 38.487 0.131 0.000 1.164 345 N HN 0.488 nan 8.380 nan 0.000 0.551 346 Q N -1.148 118.701 119.800 0.081 0.000 2.297 346 Q HA -0.068 4.272 4.340 -0.000 0.000 0.208 346 Q C 0.378 176.407 176.000 0.049 0.000 0.981 346 Q CA 1.160 56.999 55.803 0.060 0.000 0.876 346 Q CB -0.457 28.305 28.738 0.040 0.000 0.921 346 Q HN 0.639 nan 8.270 nan 0.000 0.446 347 N N -0.041 118.695 118.700 0.060 0.000 2.280 347 N HA 0.031 4.771 4.740 -0.000 0.000 0.192 347 N C -0.636 174.880 175.510 0.009 0.000 1.109 347 N CA -0.093 53.000 53.050 0.073 0.000 0.855 347 N CB 0.549 39.121 38.487 0.143 0.000 0.974 347 N HN 0.190 nan 8.380 nan 0.000 0.482 348 E N 0.833 120.965 120.200 -0.114 0.000 2.207 348 E HA 0.295 4.645 4.350 -0.000 0.000 0.270 348 E C -0.633 175.794 176.600 -0.288 0.000 0.927 348 E CA -0.801 55.359 56.400 -0.398 0.000 0.799 348 E CB 1.580 30.968 29.700 -0.520 0.000 1.172 348 E HN -0.142 nan 8.360 nan 0.000 0.404 349 K N 1.485 121.596 120.400 -0.482 0.000 2.230 349 K HA 0.073 4.393 4.320 -0.000 0.000 0.253 349 K C 0.054 176.701 176.600 0.078 0.000 1.008 349 K CA 0.413 56.542 56.287 -0.263 0.000 0.910 349 K CB 0.433 32.561 32.500 -0.619 0.000 0.994 349 K HN 0.388 nan 8.250 nan 0.000 0.495 350 Q N 0.337 120.339 119.800 0.338 0.000 2.962 350 Q HA 0.469 4.808 4.340 -0.000 0.000 0.282 350 Q C -0.420 175.837 176.000 0.430 0.000 1.058 350 Q CA -1.219 54.802 55.803 0.365 0.000 0.854 350 Q CB 1.019 29.881 28.738 0.208 0.000 1.441 350 Q HN 0.271 nan 8.270 nan 0.000 0.497 351 I N 1.534 122.202 120.570 0.163 0.000 2.428 351 I HA 0.203 4.373 4.170 -0.000 0.000 0.289 351 I C -0.134 176.101 176.117 0.196 0.000 1.019 351 I CA -0.426 60.885 61.300 0.018 0.000 1.351 351 I CB 0.981 38.842 38.000 -0.231 0.000 1.412 351 I HN 0.283 nan 8.210 nan 0.000 0.513 352 V N 5.772 125.863 119.914 0.295 0.000 2.407 352 V HA 0.620 4.740 4.120 -0.000 0.000 0.278 352 V C 0.327 176.532 176.094 0.185 0.000 1.037 352 V CA -0.058 62.380 62.300 0.231 0.000 0.900 352 V CB 1.383 33.338 31.823 0.219 0.000 0.983 352 V HN 0.983 nan 8.190 nan 0.000 0.459 353 T N 2.303 116.922 114.554 0.108 0.000 2.661 353 T HA 0.408 4.757 4.350 -0.000 0.000 0.305 353 T C -0.419 174.269 174.700 -0.020 0.000 1.441 353 T CA 0.029 62.155 62.100 0.043 0.000 0.999 353 T CB 1.811 70.687 68.868 0.013 0.000 1.650 353 T HN 0.816 nan 8.240 nan 0.000 0.489 354 T N 1.463 115.945 114.554 -0.120 0.000 2.851 354 T HA 0.549 4.899 4.350 -0.000 0.000 0.298 354 T C -0.461 174.142 174.700 -0.162 0.000 0.977 354 T CA -0.471 61.471 62.100 -0.263 0.000 1.126 354 T CB 0.800 69.236 68.868 -0.720 0.000 0.916 354 T HN 0.517 nan 8.240 nan 0.000 0.529 355 D N 1.372 121.796 120.400 0.039 0.000 2.414 355 D HA 0.412 5.052 4.640 -0.000 0.000 0.241 355 D C 0.249 176.645 176.300 0.160 0.000 1.008 355 D CA -1.032 52.996 54.000 0.047 0.000 1.001 355 D CB 1.489 42.317 40.800 0.048 0.000 1.277 355 D HN 0.559 nan 8.370 nan 0.000 0.538 356 L N 1.568 122.849 121.223 0.096 0.000 2.492 356 L HA 0.082 4.422 4.340 -0.000 0.000 0.280 356 L C 0.928 177.909 176.870 0.185 0.000 1.240 356 L CA 0.368 55.295 54.840 0.145 0.000 0.831 356 L CB 0.159 42.264 42.059 0.078 0.000 1.100 356 L HN 0.672 nan 8.230 nan 0.000 0.505 357 R N 1.468 122.120 120.500 0.253 0.000 3.656 357 R HA -0.205 4.135 4.340 -0.000 0.000 0.297 357 R C 0.078 176.377 176.300 -0.002 0.000 1.166 357 R CA 0.667 56.842 56.100 0.124 0.000 0.799 357 R CB -1.863 28.500 30.300 0.104 0.000 1.285 357 R HN 0.814 nan 8.270 nan 0.000 0.477 358 Q N -2.033 117.721 119.800 -0.077 0.000 2.480 358 Q HA -0.241 4.099 4.340 -0.000 0.000 0.265 358 Q C -0.376 175.470 176.000 -0.257 0.000 1.072 358 Q CA 1.710 57.244 55.803 -0.449 0.000 1.018 358 Q CB -0.825 27.718 28.738 -0.326 0.000 1.433 358 Q HN 0.560 nan 8.270 nan 0.000 0.513 359 K N -0.025 120.393 120.400 0.031 0.000 2.240 359 K HA 0.666 4.986 4.320 -0.000 0.000 0.237 359 K C -0.188 176.542 176.600 0.216 0.000 1.027 359 K CA -0.536 55.807 56.287 0.093 0.000 0.937 359 K CB 1.688 34.233 32.500 0.076 0.000 1.171 359 K HN 0.191 nan 8.250 nan 0.000 0.479 360 c N 0.605 119.285 118.600 0.134 0.000 2.441 360 c HA 0.521 5.091 4.570 -0.000 0.000 0.318 360 c C -0.190 173.953 174.090 0.088 0.000 1.222 360 c CA -0.121 56.282 56.329 0.124 0.000 1.474 360 c CB 1.075 43.653 42.510 0.112 0.000 2.125 360 c HN 0.782 nan 8.230 nan 0.000 0.479 361 T N 2.748 117.347 114.554 0.074 0.000 2.885 361 T HA 0.493 4.843 4.350 -0.000 0.000 0.285 361 T C 0.205 174.963 174.700 0.098 0.000 1.019 361 T CA -0.216 61.927 62.100 0.072 0.000 1.010 361 T CB 1.418 70.313 68.868 0.045 0.000 1.022 361 T HN 0.829 nan 8.240 nan 0.000 0.466 362 E N 1.424 121.690 120.200 0.111 0.000 2.603 362 E HA 0.166 4.516 4.350 -0.000 0.000 0.211 362 E C 0.185 176.879 176.600 0.157 0.000 0.995 362 E CA -0.177 56.310 56.400 0.144 0.000 0.990 362 E CB 0.692 30.471 29.700 0.132 0.000 1.036 362 E HN 0.588 nan 8.360 nan 0.000 0.475 363 S N -0.496 115.288 115.700 0.140 0.000 2.668 363 S HA 0.152 4.622 4.470 -0.000 0.000 0.244 363 S C -0.319 174.384 174.600 0.172 0.000 1.140 363 S CA -0.640 57.647 58.200 0.145 0.000 1.134 363 S CB -0.328 62.942 63.200 0.117 0.000 0.954 363 S HN 0.267 nan 8.310 nan 0.000 0.490 364 H N 2.076 121.167 119.070 0.035 0.000 2.582 364 H HA 0.473 5.029 4.556 -0.000 0.000 0.345 364 H C 0.335 175.648 175.328 -0.025 0.000 1.104 364 H CA 0.454 56.492 56.048 -0.017 0.000 1.390 364 H CB 0.908 30.637 29.762 -0.056 0.000 1.461 364 H HN 0.587 nan 8.280 nan 0.000 0.551 365 T N 1.319 115.798 114.554 -0.126 0.000 2.804 365 T HA 0.614 4.964 4.350 -0.000 0.000 0.290 365 T C 0.362 174.769 174.700 -0.489 0.000 1.099 365 T CA -0.175 61.783 62.100 -0.236 0.000 1.011 365 T CB 1.479 70.305 68.868 -0.070 0.000 1.291 365 T HN 1.011 nan 8.240 nan 0.000 0.523 366 G N 0.368 108.732 108.800 -0.726 0.000 2.796 366 G HA2 -0.132 3.828 3.960 -0.000 0.000 0.226 366 G HA3 -0.132 3.828 3.960 -0.000 0.000 0.226 366 G C 0.751 175.294 174.900 -0.595 0.000 1.381 366 G CA 0.655 45.078 45.100 -1.129 0.000 0.867 366 G HN 2.022 nan 8.290 nan 0.000 0.552 367 T N -2.454 111.867 114.554 -0.388 0.000 3.051 367 T HA 0.097 4.447 4.350 -0.000 0.000 0.269 367 T C 2.288 176.909 174.700 -0.132 0.000 1.127 367 T CA 1.986 64.020 62.100 -0.110 0.000 1.107 367 T CB -0.063 68.812 68.868 0.011 0.000 0.898 367 T HN 0.801 nan 8.240 nan 0.000 0.517 368 S N 1.102 116.690 115.700 -0.186 0.000 2.453 368 S HA 0.249 4.719 4.470 -0.000 0.000 0.231 368 S C 2.344 176.796 174.600 -0.246 0.000 1.005 368 S CA 0.647 58.766 58.200 -0.136 0.000 0.949 368 S CB -0.391 62.780 63.200 -0.048 0.000 0.774 368 S HN 0.789 nan 8.310 nan 0.000 0.510 369 A N 0.500 123.065 122.820 -0.425 0.000 2.030 369 A HA 0.154 4.474 4.320 -0.000 0.000 0.215 369 A C 2.192 179.646 177.584 -0.217 0.000 1.164 369 A CA 0.830 52.614 52.037 -0.420 0.000 0.697 369 A CB -0.386 18.251 19.000 -0.604 0.000 0.827 369 A HN 0.393 nan 8.150 nan 0.000 0.457 370 S N 0.154 115.756 115.700 -0.164 0.000 2.371 370 S HA 0.036 4.506 4.470 -0.000 0.000 0.224 370 S C 2.320 176.886 174.600 -0.056 0.000 1.029 370 S CA 1.006 59.152 58.200 -0.091 0.000 0.978 370 S CB -0.326 62.851 63.200 -0.037 0.000 0.833 370 S HN 0.741 nan 8.310 nan 0.000 0.466 371 A N 2.717 125.506 122.820 -0.052 0.000 1.858 371 A HA -0.038 4.282 4.320 -0.000 0.000 0.216 371 A C 0.113 177.681 177.584 -0.027 0.000 1.190 371 A CA 1.513 53.531 52.037 -0.032 0.000 0.617 371 A CB -1.762 17.200 19.000 -0.063 0.000 0.827 371 A HN 0.451 nan 8.150 nan 0.000 0.443 372 P HA -0.124 nan 4.420 nan 0.000 0.218 372 P C 1.593 178.894 177.300 0.002 0.000 1.149 372 P CA 0.906 64.000 63.100 -0.009 0.000 0.817 372 P CB -0.202 31.498 31.700 -0.000 0.000 0.785 373 L N -0.488 120.728 121.223 -0.013 0.000 2.083 373 L HA -0.148 4.192 4.340 -0.000 0.000 0.209 373 L C 2.772 179.645 176.870 0.005 0.000 1.083 373 L CA 1.646 56.489 54.840 0.005 0.000 0.752 373 L CB -1.113 40.926 42.059 -0.034 0.000 0.899 373 L HN -0.037 nan 8.230 nan 0.000 0.433 374 A N -0.142 122.673 122.820 -0.008 0.000 1.930 374 A HA -0.110 4.210 4.320 -0.000 0.000 0.217 374 A C 2.526 180.108 177.584 -0.003 0.000 1.175 374 A CA 1.492 53.524 52.037 -0.008 0.000 0.627 374 A CB -0.598 18.401 19.000 -0.001 0.000 0.815 374 A HN 0.391 nan 8.150 nan 0.000 0.443 375 A N -0.338 122.485 122.820 0.005 0.000 1.933 375 A HA 0.107 4.427 4.320 -0.000 0.000 0.218 375 A C 2.382 179.965 177.584 -0.001 0.000 1.175 375 A CA 1.938 53.979 52.037 0.006 0.000 0.628 375 A CB -1.340 17.666 19.000 0.009 0.000 0.814 375 A HN 0.690 nan 8.150 nan 0.000 0.444 376 G N 0.074 108.882 108.800 0.013 0.000 2.421 376 G HA2 -0.194 3.766 3.960 -0.000 0.000 0.216 376 G HA3 -0.194 3.766 3.960 -0.000 0.000 0.216 376 G C 1.514 176.418 174.900 0.008 0.000 1.171 376 G CA 1.103 46.218 45.100 0.026 0.000 0.775 376 G HN 0.476 nan 8.290 nan 0.000 0.543 377 I N 0.553 121.120 120.570 -0.005 0.000 2.361 377 I HA -0.126 4.044 4.170 -0.000 0.000 0.251 377 I C 2.540 178.619 176.117 -0.064 0.000 1.133 377 I CA 0.832 62.110 61.300 -0.038 0.000 1.413 377 I CB -0.159 37.812 38.000 -0.048 0.000 1.073 377 I HN 0.164 nan 8.210 nan 0.000 0.424 378 I N 0.556 121.093 120.570 -0.055 0.000 2.546 378 I HA -0.185 3.985 4.170 -0.000 0.000 0.255 378 I C 2.707 178.773 176.117 -0.085 0.000 1.163 378 I CA 0.816 62.072 61.300 -0.074 0.000 1.457 378 I CB -0.311 37.663 38.000 -0.045 0.000 1.092 378 I HN 0.153 nan 8.210 nan 0.000 0.434 379 A N 1.129 123.910 122.820 -0.064 0.000 1.897 379 A HA -0.097 4.223 4.320 -0.000 0.000 0.215 379 A C 2.259 179.790 177.584 -0.087 0.000 1.181 379 A CA 1.097 53.089 52.037 -0.074 0.000 0.620 379 A CB -0.628 18.345 19.000 -0.045 0.000 0.821 379 A HN 0.348 nan 8.150 nan 0.000 0.443 380 L N -0.620 120.564 121.223 -0.066 0.000 2.046 380 L HA -0.157 4.183 4.340 -0.000 0.000 0.208 380 L C 2.717 179.468 176.870 -0.198 0.000 1.077 380 L CA 1.775 56.578 54.840 -0.062 0.000 0.747 380 L CB -1.236 40.812 42.059 -0.018 0.000 0.896 380 L HN 0.324 nan 8.230 nan 0.000 0.432 381 T N 0.386 114.817 114.554 -0.205 0.000 2.788 381 T HA -0.153 4.197 4.350 -0.000 0.000 0.268 381 T C 2.019 176.556 174.700 -0.272 0.000 1.044 381 T CA 1.118 63.055 62.100 -0.272 0.000 1.139 381 T CB -0.189 68.545 68.868 -0.224 0.000 0.867 381 T HN 0.198 nan 8.240 nan 0.000 0.454 382 L N 0.561 121.657 121.223 -0.211 0.000 2.093 382 L HA -0.065 4.275 4.340 -0.000 0.000 0.208 382 L C 2.817 179.570 176.870 -0.197 0.000 1.085 382 L CA 1.319 56.038 54.840 -0.202 0.000 0.755 382 L CB -0.390 41.541 42.059 -0.214 0.000 0.904 382 L HN 0.378 nan 8.230 nan 0.000 0.435 383 E N 0.314 120.412 120.200 -0.170 0.000 2.077 383 E HA -0.241 4.109 4.350 -0.000 0.000 0.193 383 E C 2.109 178.648 176.600 -0.101 0.000 0.989 383 E CA 1.168 57.531 56.400 -0.062 0.000 0.800 383 E CB 0.025 29.782 29.700 0.096 0.000 0.746 383 E HN 0.462 nan 8.360 nan 0.000 0.452 384 A N 0.640 123.180 122.820 -0.466 0.000 2.067 384 A HA -0.105 4.215 4.320 -0.000 0.000 0.219 384 A C 1.035 178.466 177.584 -0.255 0.000 1.158 384 A CA 1.086 52.696 52.037 -0.713 0.000 0.661 384 A CB 0.009 18.275 19.000 -1.224 0.000 0.801 384 A HN 0.284 nan 8.150 nan 0.000 0.452 385 N N -0.758 117.828 118.700 -0.190 0.000 2.969 385 N HA 0.081 4.821 4.740 -0.000 0.000 0.230 385 N C -0.123 175.333 175.510 -0.090 0.000 1.397 385 N CA -0.344 52.649 53.050 -0.096 0.000 0.762 385 N CB 0.553 38.993 38.487 -0.078 0.000 1.495 385 N HN 0.020 nan 8.380 nan 0.000 0.583 386 K N 0.623 120.983 120.400 -0.067 0.000 2.519 386 K HA 0.051 4.371 4.320 -0.000 0.000 0.196 386 K C 0.190 176.771 176.600 -0.031 0.000 1.041 386 K CA 0.548 56.792 56.287 -0.072 0.000 0.954 386 K CB 0.204 32.672 32.500 -0.053 0.000 0.774 386 K HN 0.407 nan 8.250 nan 0.000 0.480 387 N N 0.739 119.435 118.700 -0.007 0.000 2.235 387 N HA 0.084 4.824 4.740 -0.000 0.000 0.209 387 N C 0.129 175.659 175.510 0.034 0.000 1.122 387 N CA 0.034 53.098 53.050 0.024 0.000 0.845 387 N CB 0.290 38.800 38.487 0.039 0.000 1.004 387 N HN 0.116 nan 8.380 nan 0.000 0.499 388 L N 1.314 122.533 121.223 -0.006 0.000 2.416 388 L HA 0.100 4.439 4.340 -0.000 0.000 0.272 388 L C 1.344 178.221 176.870 0.012 0.000 1.161 388 L CA -0.131 54.692 54.840 -0.028 0.000 0.845 388 L CB 0.350 42.324 42.059 -0.143 0.000 1.119 388 L HN 0.092 nan 8.230 nan 0.000 0.464 389 T N -1.257 113.316 114.554 0.032 0.000 2.788 389 T HA 0.069 4.419 4.350 -0.000 0.000 0.280 389 T C 1.272 176.015 174.700 0.073 0.000 0.984 389 T CA -0.664 61.479 62.100 0.071 0.000 0.972 389 T CB 0.839 69.726 68.868 0.031 0.000 1.039 389 T HN 0.765 nan 8.240 nan 0.000 0.530 390 W N 0.816 122.151 121.300 0.058 0.000 2.364 390 W HA -0.077 4.583 4.660 -0.000 0.000 0.281 390 W C 1.601 178.194 176.519 0.124 0.000 1.219 390 W CA 0.568 57.955 57.345 0.070 0.000 1.220 390 W CB -0.916 28.594 29.460 0.084 0.000 1.127 390 W HN 0.641 nan 8.180 nan 0.000 0.556 391 R N 0.570 120.679 120.500 -0.652 0.000 2.075 391 R HA -0.087 4.253 4.340 -0.000 0.000 0.226 391 R C 1.890 178.195 176.300 0.009 0.000 1.114 391 R CA 1.433 57.233 56.100 -0.500 0.000 0.972 391 R CB -0.473 29.444 30.300 -0.639 0.000 0.869 391 R HN -0.021 nan 8.270 nan 0.000 0.437 392 D N 0.900 121.300 120.400 -0.000 0.000 2.116 392 D HA -0.218 4.422 4.640 -0.000 0.000 0.193 392 D C 1.740 177.907 176.300 -0.222 0.000 0.998 392 D CA 1.394 55.389 54.000 -0.009 0.000 0.836 392 D CB -0.089 40.661 40.800 -0.083 0.000 0.951 392 D HN 0.016 nan 8.370 nan 0.000 0.449 393 M N 0.763 120.260 119.600 -0.173 0.000 2.108 393 M HA -0.177 4.303 4.480 -0.000 0.000 0.261 393 M C 1.937 178.128 176.300 -0.182 0.000 1.066 393 M CA 1.578 56.763 55.300 -0.191 0.000 1.107 393 M CB -0.266 32.291 32.600 -0.071 0.000 1.356 393 M HN -0.029 nan 8.290 nan 0.000 0.406 394 Q N -1.564 118.170 119.800 -0.109 0.000 2.119 394 Q HA -0.184 4.156 4.340 -0.000 0.000 0.201 394 Q C 2.130 177.874 176.000 -0.427 0.000 0.972 394 Q CA 1.281 56.946 55.803 -0.231 0.000 0.847 394 Q CB -0.336 28.333 28.738 -0.115 0.000 0.903 394 Q HN 0.656 nan 8.270 nan 0.000 0.433 395 H N 0.468 119.435 119.070 -0.172 0.000 2.353 395 H HA -0.085 4.471 4.556 -0.000 0.000 0.300 395 H C 2.202 177.355 175.328 -0.293 0.000 1.090 395 H CA 1.144 57.141 56.048 -0.085 0.000 1.327 395 H CB 0.035 29.953 29.762 0.259 0.000 1.383 395 H HN 0.231 nan 8.280 nan 0.000 0.508 396 L N -0.047 120.957 121.223 -0.366 0.000 2.046 396 L HA -0.149 4.191 4.340 -0.000 0.000 0.208 396 L C 2.710 179.402 176.870 -0.295 0.000 1.077 396 L CA 0.612 55.193 54.840 -0.432 0.000 0.747 396 L CB -0.384 41.338 42.059 -0.561 0.000 0.896 396 L HN 0.051 nan 8.230 nan 0.000 0.432 397 V N -0.680 119.050 119.914 -0.307 0.000 2.343 397 V HA -0.236 3.884 4.120 -0.000 0.000 0.247 397 V C 2.426 178.321 176.094 -0.333 0.000 1.051 397 V CA 1.455 63.595 62.300 -0.266 0.000 1.036 397 V CB -0.193 31.489 31.823 -0.235 0.000 0.654 397 V HN 0.196 nan 8.190 nan 0.000 0.451 398 V N -0.449 119.134 119.914 -0.553 0.000 2.343 398 V HA -0.299 3.821 4.120 -0.000 0.000 0.247 398 V C 2.404 178.179 176.094 -0.531 0.000 1.051 398 V CA 2.016 63.804 62.300 -0.854 0.000 1.036 398 V CB -0.657 30.339 31.823 -1.378 0.000 0.654 398 V HN 0.591 nan 8.190 nan 0.000 0.451 399 Q N -0.151 119.472 119.800 -0.294 0.000 2.187 399 Q HA -0.121 4.219 4.340 -0.000 0.000 0.199 399 Q C 2.338 178.284 176.000 -0.089 0.000 0.957 399 Q CA 1.894 57.623 55.803 -0.124 0.000 0.857 399 Q CB -0.149 28.603 28.738 0.023 0.000 0.929 399 Q HN 0.851 nan 8.270 nan 0.000 0.453 400 T N -2.698 111.791 114.554 -0.108 0.000 3.044 400 T HA 0.116 4.466 4.350 -0.000 0.000 0.255 400 T C 1.086 175.742 174.700 -0.072 0.000 1.073 400 T CA -0.207 61.846 62.100 -0.079 0.000 1.125 400 T CB 0.124 68.940 68.868 -0.087 0.000 0.908 400 T HN -0.118 nan 8.240 nan 0.000 0.480 401 S N 2.644 118.297 115.700 -0.079 0.000 2.558 401 S HA 0.199 4.669 4.470 -0.000 0.000 0.293 401 S C 0.008 174.593 174.600 -0.025 0.000 1.292 401 S CA -0.175 58.002 58.200 -0.039 0.000 1.063 401 S CB 0.207 63.408 63.200 0.001 0.000 0.831 401 S HN 0.330 nan 8.310 nan 0.000 0.499 402 K N 4.153 124.527 120.400 -0.043 0.000 2.265 402 K HA 0.291 4.611 4.320 -0.000 0.000 0.267 402 K C -2.132 174.394 176.600 -0.124 0.000 0.994 402 K CA -2.454 53.784 56.287 -0.081 0.000 0.860 402 K CB 1.132 33.588 32.500 -0.074 0.000 1.099 402 K HN 0.289 nan 8.250 nan 0.000 0.448 403 P HA 0.020 nan 4.420 nan 0.000 0.249 403 P C -0.036 176.947 177.300 -0.527 0.000 1.229 403 P CA 0.050 62.846 63.100 -0.508 0.000 0.788 403 P CB 0.344 31.395 31.700 -1.082 0.000 1.072 404 A N 1.149 123.739 122.820 -0.383 0.000 2.488 404 A HA 0.166 4.486 4.320 -0.000 0.000 0.249 404 A C 0.558 177.926 177.584 -0.360 0.000 1.083 404 A CA 0.213 51.961 52.037 -0.481 0.000 0.768 404 A CB -0.836 17.869 19.000 -0.492 0.000 1.017 404 A HN 0.336 nan 8.150 nan 0.000 0.496 405 H N -1.151 117.883 119.070 -0.060 0.000 3.022 405 H HA -0.139 4.417 4.556 -0.000 0.000 0.258 405 H C -0.958 174.399 175.328 0.047 0.000 1.212 405 H CA 0.881 56.942 56.048 0.022 0.000 1.126 405 H CB -1.740 28.061 29.762 0.064 0.000 1.267 405 H HN 0.415 nan 8.280 nan 0.000 0.345 406 L N 2.295 123.556 121.223 0.062 0.000 2.319 406 L HA 0.344 4.684 4.340 -0.000 0.000 0.281 406 L C 0.140 177.210 176.870 0.333 0.000 1.005 406 L CA -0.454 54.405 54.840 0.032 0.000 0.828 406 L CB 1.368 43.273 42.059 -0.257 0.000 1.227 406 L HN 0.073 nan 8.230 nan 0.000 0.415 407 N N 3.554 122.469 118.700 0.358 0.000 2.455 407 N HA 0.780 5.520 4.740 -0.000 0.000 0.280 407 N C -0.564 175.227 175.510 0.468 0.000 1.055 407 N CA -0.258 53.038 53.050 0.409 0.000 0.961 407 N CB 2.115 40.764 38.487 0.269 0.000 1.121 407 N HN 0.647 nan 8.380 nan 0.000 0.476 408 A N 0.935 123.980 122.820 0.374 0.000 2.604 408 A HA 0.370 4.690 4.320 -0.000 0.000 0.295 408 A C -0.730 176.902 177.584 0.079 0.000 1.067 408 A CA -0.650 51.437 52.037 0.084 0.000 0.683 408 A CB 1.092 19.929 19.000 -0.271 0.000 1.281 408 A HN 0.434 nan 8.150 nan 0.000 0.407 409 D N 0.719 121.121 120.400 0.003 0.000 2.328 409 D HA 0.091 4.731 4.640 -0.000 0.000 0.221 409 D C 0.201 176.512 176.300 0.020 0.000 1.072 409 D CA 0.988 55.011 54.000 0.037 0.000 0.850 409 D CB 0.506 41.320 40.800 0.023 0.000 0.922 409 D HN 0.604 nan 8.370 nan 0.000 0.516 410 D N -1.318 119.052 120.400 -0.049 0.000 2.599 410 D HA -0.063 4.577 4.640 -0.000 0.000 0.249 410 D C -0.231 176.072 176.300 0.006 0.000 1.313 410 D CA -0.625 53.366 54.000 -0.015 0.000 0.815 410 D CB -0.983 39.806 40.800 -0.018 0.000 1.077 410 D HN 0.038 nan 8.370 nan 0.000 0.492 411 W N 1.645 122.981 121.300 0.059 0.000 2.397 411 W HA 0.420 5.080 4.660 -0.000 0.000 0.327 411 W C 0.510 177.038 176.519 0.016 0.000 1.421 411 W CA -0.190 57.172 57.345 0.029 0.000 1.288 411 W CB 0.842 30.318 29.460 0.027 0.000 1.312 411 W HN 0.104 nan 8.180 nan 0.000 0.559 412 A N 2.891 125.878 122.820 0.280 0.000 2.435 412 A HA 0.720 5.040 4.320 -0.000 0.000 0.304 412 A C -0.643 177.016 177.584 0.124 0.000 1.064 412 A CA -0.746 51.389 52.037 0.163 0.000 0.727 412 A CB 1.223 20.300 19.000 0.128 0.000 1.284 412 A HN 0.302 nan 8.150 nan 0.000 0.415 413 T N 2.807 117.412 114.554 0.085 0.000 2.806 413 T HA 0.405 4.755 4.350 -0.000 0.000 0.290 413 T C 0.595 175.329 174.700 0.056 0.000 0.966 413 T CA -0.402 61.735 62.100 0.061 0.000 1.060 413 T CB 0.438 69.331 68.868 0.041 0.000 0.927 413 T HN 0.856 nan 8.240 nan 0.000 0.485 414 N N 1.836 120.575 118.700 0.065 0.000 2.374 414 N HA 0.295 5.035 4.740 -0.000 0.000 0.284 414 N C 1.659 177.205 175.510 0.060 0.000 1.280 414 N CA -0.407 52.686 53.050 0.072 0.000 0.963 414 N CB -0.382 38.172 38.487 0.112 0.000 1.141 414 N HN 0.504 nan 8.380 nan 0.000 0.565 415 G N -1.779 107.054 108.800 0.054 0.000 2.559 415 G HA2 -0.070 3.890 3.960 -0.000 0.000 0.216 415 G HA3 -0.070 3.890 3.960 -0.000 0.000 0.216 415 G C 0.717 175.642 174.900 0.042 0.000 1.126 415 G CA 0.986 46.105 45.100 0.031 0.000 0.778 415 G HN 0.640 nan 8.290 nan 0.000 0.543 416 V N -3.708 116.247 119.914 0.069 0.000 3.176 416 V HA 0.644 4.763 4.120 -0.000 0.000 0.332 416 V C 1.375 177.506 176.094 0.061 0.000 1.414 416 V CA 0.257 62.597 62.300 0.066 0.000 1.133 416 V CB -0.306 31.572 31.823 0.091 0.000 1.088 416 V HN 0.836 nan 8.190 nan 0.000 0.473 417 G N 0.970 109.804 108.800 0.055 0.000 2.159 417 G HA2 -0.262 3.698 3.960 -0.000 0.000 0.256 417 G HA3 -0.262 3.698 3.960 -0.000 0.000 0.256 417 G C 0.315 175.246 174.900 0.051 0.000 0.977 417 G CA 0.415 45.540 45.100 0.042 0.000 0.652 417 G HN 0.640 nan 8.290 nan 0.000 0.531 418 R N 0.306 120.862 120.500 0.095 0.000 2.428 418 R HA 0.476 4.816 4.340 -0.000 0.000 0.294 418 R C 0.220 176.585 176.300 0.109 0.000 1.000 418 R CA -0.613 55.562 56.100 0.124 0.000 0.960 418 R CB 0.930 31.373 30.300 0.237 0.000 1.076 418 R HN 0.119 nan 8.270 nan 0.000 0.475 419 K N 1.981 122.423 120.400 0.069 0.000 2.234 419 K HA 0.330 4.650 4.320 -0.000 0.000 0.282 419 K C -0.656 176.043 176.600 0.166 0.000 1.039 419 K CA -0.361 55.975 56.287 0.082 0.000 0.928 419 K CB 1.423 33.864 32.500 -0.098 0.000 1.039 419 K HN 0.229 nan 8.250 nan 0.000 0.470 420 V N 0.737 120.722 119.914 0.119 0.000 2.876 420 V HA 0.420 4.540 4.120 -0.000 0.000 0.312 420 V C -0.559 175.349 176.094 -0.310 0.000 1.085 420 V CA -0.942 61.176 62.300 -0.304 0.000 0.945 420 V CB 1.903 33.137 31.823 -0.982 0.000 1.017 420 V HN 0.802 nan 8.190 nan 0.000 0.428 421 S N 0.164 115.479 115.700 -0.642 0.000 2.536 421 S HA 0.552 5.022 4.470 -0.000 0.000 0.287 421 S C 0.137 174.489 174.600 -0.414 0.000 1.101 421 S CA -0.472 57.306 58.200 -0.703 0.000 0.950 421 S CB 1.385 63.711 63.200 -1.456 0.000 1.056 421 S HN 0.812 nan 8.310 nan 0.000 0.481 422 H N 2.082 121.042 119.070 -0.182 0.000 2.546 422 H HA 0.191 4.747 4.556 -0.000 0.000 0.277 422 H C 1.667 176.861 175.328 -0.223 0.000 1.004 422 H CA 1.347 57.341 56.048 -0.090 0.000 1.231 422 H CB 0.348 30.055 29.762 -0.092 0.000 1.382 422 H HN 0.420 nan 8.280 nan 0.000 0.580 423 S N -1.110 114.382 115.700 -0.345 0.000 2.492 423 S HA 0.072 4.542 4.470 -0.000 0.000 0.218 423 S C 0.560 174.805 174.600 -0.592 0.000 1.016 423 S CA 0.232 58.095 58.200 -0.562 0.000 0.916 423 S CB 0.336 62.979 63.200 -0.928 0.000 0.791 423 S HN 0.503 nan 8.310 nan 0.000 0.513 424 Y N 0.619 120.762 120.300 -0.261 0.000 2.563 424 Y HA 0.381 4.931 4.550 -0.000 0.000 0.250 424 Y C 1.614 177.432 175.900 -0.137 0.000 1.126 424 Y CA -0.260 57.734 58.100 -0.178 0.000 1.231 424 Y CB 0.426 38.796 38.460 -0.151 0.000 1.288 424 Y HN 0.302 nan 8.280 nan 0.000 0.537 425 G N 1.181 109.932 108.800 -0.082 0.000 2.583 425 G HA2 -0.408 3.552 3.960 -0.000 0.000 0.292 425 G HA3 -0.408 3.552 3.960 -0.000 0.000 0.292 425 G C 0.222 174.987 174.900 -0.225 0.000 1.203 425 G CA 0.855 45.872 45.100 -0.138 0.000 0.987 425 G HN 0.351 nan 8.290 nan 0.000 0.554 426 Y N 2.938 123.233 120.300 -0.009 0.000 2.490 426 Y HA 0.425 4.975 4.550 -0.000 0.000 0.281 426 Y C 1.827 177.811 175.900 0.139 0.000 1.174 426 Y CA 1.734 59.858 58.100 0.038 0.000 1.295 426 Y CB 0.150 38.560 38.460 -0.084 0.000 1.062 426 Y HN 1.601 nan 8.280 nan 0.000 0.522 427 G N -0.133 108.836 108.800 0.282 0.000 2.362 427 G HA2 -0.109 3.851 3.960 -0.000 0.000 0.517 427 G HA3 -0.109 3.851 3.960 -0.000 0.000 0.517 427 G C -1.704 173.218 174.900 0.038 0.000 1.256 427 G CA -1.064 44.165 45.100 0.216 0.000 1.027 427 G HN -0.015 nan 8.290 nan 0.000 0.491 428 L N 0.647 121.831 121.223 -0.065 0.000 2.416 428 L HA 0.607 4.947 4.340 -0.000 0.000 0.272 428 L C 0.969 177.790 176.870 -0.081 0.000 1.161 428 L CA -0.354 54.405 54.840 -0.135 0.000 0.845 428 L CB 0.567 42.500 42.059 -0.210 0.000 1.119 428 L HN 0.553 nan 8.230 nan 0.000 0.464 429 L N 3.969 125.143 121.223 -0.081 0.000 2.456 429 L HA 0.130 4.470 4.340 -0.000 0.000 0.272 429 L C -0.139 176.695 176.870 -0.059 0.000 1.189 429 L CA 0.217 55.018 54.840 -0.065 0.000 0.846 429 L CB 0.371 42.394 42.059 -0.061 0.000 1.111 429 L HN 0.632 nan 8.230 nan 0.000 0.475 430 D N 1.867 122.229 120.400 -0.063 0.000 2.420 430 D HA 0.322 4.962 4.640 -0.000 0.000 0.255 430 D C 0.592 176.846 176.300 -0.077 0.000 1.185 430 D CA -0.292 53.674 54.000 -0.057 0.000 0.904 430 D CB 1.793 42.565 40.800 -0.048 0.000 1.102 430 D HN 0.544 nan 8.370 nan 0.000 0.534 431 A N 3.049 125.815 122.820 -0.090 0.000 1.892 431 A HA -0.104 4.216 4.320 -0.000 0.000 0.218 431 A C 2.030 179.552 177.584 -0.103 0.000 1.188 431 A CA 2.144 54.113 52.037 -0.113 0.000 0.631 431 A CB -0.896 18.009 19.000 -0.157 0.000 0.822 431 A HN 0.588 nan 8.150 nan 0.000 0.447 432 G N -0.731 108.015 108.800 -0.091 0.000 2.446 432 G HA2 -0.037 3.923 3.960 -0.000 0.000 0.217 432 G HA3 -0.037 3.923 3.960 -0.000 0.000 0.217 432 G C 1.785 176.657 174.900 -0.047 0.000 1.168 432 G CA 1.711 46.776 45.100 -0.059 0.000 0.771 432 G HN 0.894 nan 8.290 nan 0.000 0.551 433 A N 0.285 123.075 122.820 -0.050 0.000 1.898 433 A HA 0.054 4.374 4.320 -0.000 0.000 0.216 433 A C 2.466 180.010 177.584 -0.067 0.000 1.181 433 A CA 1.894 53.904 52.037 -0.044 0.000 0.620 433 A CB -0.356 18.618 19.000 -0.042 0.000 0.819 433 A HN 0.294 nan 8.150 nan 0.000 0.442 434 M N -0.557 118.985 119.600 -0.097 0.000 2.082 434 M HA -0.146 4.334 4.480 -0.000 0.000 0.258 434 M C 2.275 178.477 176.300 -0.163 0.000 1.071 434 M CA 1.525 56.741 55.300 -0.140 0.000 1.103 434 M CB -1.266 31.244 32.600 -0.149 0.000 1.307 434 M HN 0.251 nan 8.290 nan 0.000 0.409 435 V N 0.423 120.235 119.914 -0.168 0.000 2.332 435 V HA -0.276 3.844 4.120 -0.000 0.000 0.248 435 V C 2.654 178.651 176.094 -0.161 0.000 1.055 435 V CA 1.925 64.077 62.300 -0.246 0.000 1.038 435 V CB -1.128 30.567 31.823 -0.212 0.000 0.651 435 V HN 0.538 nan 8.190 nan 0.000 0.450 436 A N -0.560 122.222 122.820 -0.062 0.000 1.877 436 A HA -0.193 4.127 4.320 -0.000 0.000 0.216 436 A C 2.107 179.696 177.584 0.009 0.000 1.186 436 A CA 2.073 54.108 52.037 -0.005 0.000 0.620 436 A CB -0.592 18.414 19.000 0.010 0.000 0.822 436 A HN 0.445 nan 8.150 nan 0.000 0.443 437 L N -0.640 120.588 121.223 0.009 0.000 2.291 437 L HA 0.101 4.441 4.340 -0.000 0.000 0.214 437 L C 2.568 179.519 176.870 0.136 0.000 1.120 437 L CA 1.576 56.473 54.840 0.095 0.000 0.799 437 L CB -0.668 41.454 42.059 0.106 0.000 0.925 437 L HN 0.356 nan 8.230 nan 0.000 0.446 438 A N -1.241 121.561 122.820 -0.030 0.000 1.873 438 A HA -0.214 4.106 4.320 -0.000 0.000 0.215 438 A C 2.090 179.687 177.584 0.022 0.000 1.186 438 A CA 1.405 53.395 52.037 -0.078 0.000 0.616 438 A CB -0.458 18.404 19.000 -0.231 0.000 0.823 438 A HN 0.554 nan 8.150 nan 0.000 0.442 439 Q N -0.175 119.610 119.800 -0.025 0.000 2.028 439 Q HA -0.221 4.119 4.340 -0.000 0.000 0.213 439 Q C 0.230 176.272 176.000 0.069 0.000 1.017 439 Q CA 1.677 57.487 55.803 0.012 0.000 0.875 439 Q CB -0.302 28.459 28.738 0.037 0.000 0.962 439 Q HN 0.592 nan 8.270 nan 0.000 0.413 440 N N -0.659 118.095 118.700 0.091 0.000 2.546 440 N HA 0.029 4.769 4.740 -0.000 0.000 0.286 440 N C -1.095 174.471 175.510 0.093 0.000 1.259 440 N CA -0.051 53.044 53.050 0.075 0.000 0.939 440 N CB 0.038 38.548 38.487 0.038 0.000 1.243 440 N HN 0.302 nan 8.380 nan 0.000 0.511 441 W N 1.756 123.029 121.300 -0.045 0.000 2.216 441 W HA 0.116 4.776 4.660 -0.000 0.000 0.326 441 W C -0.695 175.794 176.519 -0.049 0.000 1.319 441 W CA 0.417 57.731 57.345 -0.051 0.000 1.213 441 W CB 0.687 30.112 29.460 -0.059 0.000 1.171 441 W HN -0.094 nan 8.180 nan 0.000 0.557 442 T N 4.852 118.990 114.554 -0.692 0.000 2.733 442 T HA 0.031 4.381 4.350 -0.000 0.000 0.294 442 T C 0.320 174.767 174.700 -0.421 0.000 0.956 442 T CA -0.101 61.741 62.100 -0.429 0.000 0.987 442 T CB 1.037 69.663 68.868 -0.403 0.000 0.920 442 T HN 0.397 nan 8.240 nan 0.000 0.470 443 T N 3.689 118.227 114.554 -0.025 0.000 2.933 443 T HA 0.157 4.507 4.350 -0.000 0.000 0.306 443 T C 0.859 175.555 174.700 -0.006 0.000 1.045 443 T CA -0.521 61.652 62.100 0.123 0.000 1.143 443 T CB -0.115 68.818 68.868 0.108 0.000 1.003 443 T HN 0.512 nan 8.240 nan 0.000 0.540 444 V N 3.626 123.565 119.914 0.042 0.000 3.139 444 V HA 0.619 4.739 4.120 -0.000 0.000 0.307 444 V C 0.916 176.982 176.094 -0.046 0.000 1.095 444 V CA -0.796 61.461 62.300 -0.072 0.000 1.160 444 V CB -0.491 31.262 31.823 -0.116 0.000 1.003 444 V HN 1.114 nan 8.190 nan 0.000 0.489 445 A N 4.489 127.270 122.820 -0.065 0.000 2.429 445 A HA 0.497 4.817 4.320 -0.000 0.000 0.242 445 A C -1.564 176.017 177.584 -0.004 0.000 1.088 445 A CA -0.884 51.132 52.037 -0.034 0.000 0.784 445 A CB -0.946 18.028 19.000 -0.044 0.000 1.038 445 A HN 0.981 nan 8.150 nan 0.000 0.501 446 P HA -0.031 nan 4.420 nan 0.000 0.265 446 P C -0.596 176.737 177.300 0.054 0.000 1.187 446 P CA 0.105 63.233 63.100 0.046 0.000 0.766 446 P CB 0.315 32.046 31.700 0.051 0.000 0.820 447 Q N 3.267 123.123 119.800 0.094 0.000 2.297 447 Q HA 0.093 4.433 4.340 -0.000 0.000 0.267 447 Q C -0.271 175.809 176.000 0.134 0.000 1.006 447 Q CA 0.003 55.882 55.803 0.126 0.000 0.896 447 Q CB 0.443 29.305 28.738 0.206 0.000 1.186 447 Q HN 0.364 nan 8.270 nan 0.000 0.392 448 R N 3.078 123.635 120.500 0.095 0.000 2.598 448 R HA 0.427 4.767 4.340 -0.000 0.000 0.279 448 R C -0.720 175.597 176.300 0.028 0.000 0.984 448 R CA -0.684 55.448 56.100 0.053 0.000 0.999 448 R CB 1.451 31.755 30.300 0.006 0.000 1.114 448 R HN 0.427 nan 8.270 nan 0.000 0.493 449 K N 1.713 122.078 120.400 -0.058 0.000 2.604 449 K HA 0.235 4.555 4.320 -0.000 0.000 0.247 449 K C -1.624 174.836 176.600 -0.232 0.000 0.956 449 K CA -0.452 55.680 56.287 -0.259 0.000 0.896 449 K CB 1.485 33.840 32.500 -0.241 0.000 1.131 449 K HN 0.587 nan 8.250 nan 0.000 0.440 450 c N 7.081 125.524 118.600 -0.262 0.000 2.264 450 c HA 0.561 5.131 4.570 -0.000 0.000 0.324 450 c C -0.199 173.747 174.090 -0.239 0.000 1.267 450 c CA -0.731 55.484 56.329 -0.191 0.000 1.618 450 c CB -0.767 41.666 42.510 -0.130 0.000 2.278 450 c HN 0.802 nan 8.230 nan 0.000 0.499 451 I N 6.521 126.971 120.570 -0.200 0.000 2.321 451 I HA 0.463 4.633 4.170 -0.000 0.000 0.291 451 I C -0.128 175.879 176.117 -0.183 0.000 0.998 451 I CA -0.148 61.031 61.300 -0.203 0.000 1.227 451 I CB 1.484 39.384 38.000 -0.166 0.000 1.368 451 I HN 0.458 nan 8.210 nan 0.000 0.466 452 V N 6.431 126.210 119.914 -0.226 0.000 2.525 452 V HA 0.376 4.496 4.120 -0.000 0.000 0.299 452 V C -0.430 175.503 176.094 -0.269 0.000 1.034 452 V CA -0.368 61.798 62.300 -0.224 0.000 0.863 452 V CB 1.858 33.540 31.823 -0.235 0.000 0.999 452 V HN 0.756 nan 8.190 nan 0.000 0.423 453 E N 6.746 126.824 120.200 -0.204 0.000 2.166 453 E HA 0.231 4.580 4.350 -0.000 0.000 0.279 453 E C 0.443 176.906 176.600 -0.228 0.000 1.095 453 E CA -0.424 55.858 56.400 -0.196 0.000 0.888 453 E CB 1.281 30.912 29.700 -0.115 0.000 1.041 453 E HN 0.632 nan 8.360 nan 0.000 0.414 454 I N 2.641 122.998 120.570 -0.355 0.000 2.400 454 I HA 0.002 4.172 4.170 -0.000 0.000 0.248 454 I C 0.923 176.975 176.117 -0.109 0.000 1.109 454 I CA 0.963 62.060 61.300 -0.337 0.000 1.425 454 I CB -0.377 37.150 38.000 -0.788 0.000 1.094 454 I HN 0.455 nan 8.210 nan 0.000 0.425 455 L N 0.200 121.398 121.223 -0.041 0.000 2.482 455 L HA 0.393 4.733 4.340 -0.000 0.000 0.269 455 L C 0.078 176.972 176.870 0.038 0.000 0.967 455 L CA -0.242 54.623 54.840 0.042 0.000 0.851 455 L CB 2.069 44.207 42.059 0.133 0.000 1.242 455 L HN -0.254 nan 8.230 nan 0.000 0.404 456 V N 2.402 122.329 119.914 0.023 0.000 2.436 456 V HA 0.043 4.162 4.120 -0.000 0.000 0.240 456 V C 1.166 177.281 176.094 0.035 0.000 1.040 456 V CA 0.686 63.000 62.300 0.023 0.000 1.052 456 V CB -0.256 31.573 31.823 0.009 0.000 0.707 456 V HN 0.872 nan 8.190 nan 0.000 0.469 457 E N 2.349 122.570 120.200 0.035 0.000 2.417 457 E HA 0.046 4.396 4.350 -0.000 0.000 0.261 457 E C -2.292 174.338 176.600 0.051 0.000 1.000 457 E CA -1.566 54.857 56.400 0.038 0.000 0.919 457 E CB 0.806 30.526 29.700 0.034 0.000 0.955 457 E HN 0.259 nan 8.360 nan 0.000 0.455 458 P HA 0.024 nan 4.420 nan 0.000 0.270 458 P C -1.237 176.100 177.300 0.063 0.000 1.221 458 P CA 0.222 63.359 63.100 0.062 0.000 0.788 458 P CB 0.411 32.146 31.700 0.057 0.000 0.904 459 K N 0.843 121.285 120.400 0.070 0.000 2.553 459 K HA 0.259 4.579 4.320 -0.000 0.000 0.250 459 K C -1.364 175.280 176.600 0.074 0.000 0.953 459 K CA -0.631 55.696 56.287 0.067 0.000 0.800 459 K CB 0.924 33.464 32.500 0.066 0.000 1.243 459 K HN 0.296 nan 8.250 nan 0.000 0.435 460 D N 3.666 124.109 120.400 0.072 0.000 2.425 460 D HA 0.065 4.705 4.640 -0.000 0.000 0.247 460 D C 0.808 177.163 176.300 0.091 0.000 1.147 460 D CA 0.329 54.382 54.000 0.088 0.000 0.879 460 D CB 0.701 41.547 40.800 0.077 0.000 1.179 460 D HN 0.520 nan 8.370 nan 0.000 0.456 461 I N 2.861 123.507 120.570 0.127 0.000 2.296 461 I HA 0.115 4.285 4.170 -0.000 0.000 0.242 461 I C 1.989 178.187 176.117 0.134 0.000 1.087 461 I CA 0.697 62.065 61.300 0.114 0.000 1.393 461 I CB -0.792 37.292 38.000 0.140 0.000 1.093 461 I HN 0.741 nan 8.210 nan 0.000 0.421 462 G N 1.561 110.482 108.800 0.202 0.000 2.622 462 G HA2 -0.473 3.487 3.960 -0.000 0.000 0.307 462 G HA3 -0.473 3.487 3.960 -0.000 0.000 0.307 462 G C 0.931 175.935 174.900 0.173 0.000 1.226 462 G CA 1.100 46.303 45.100 0.172 0.000 0.997 462 G HN 0.293 nan 8.290 nan 0.000 0.551 463 K N 0.627 121.091 120.400 0.107 0.000 2.098 463 K HA 0.212 4.532 4.320 -0.000 0.000 0.203 463 K C 1.288 177.916 176.600 0.047 0.000 1.051 463 K CA 1.771 58.107 56.287 0.082 0.000 0.957 463 K CB 0.088 32.621 32.500 0.055 0.000 0.738 463 K HN 0.683 nan 8.250 nan 0.000 0.447 464 R N -0.462 120.059 120.500 0.034 0.000 2.629 464 R HA 0.391 4.731 4.340 -0.000 0.000 0.266 464 R C -2.139 174.165 176.300 0.007 0.000 1.051 464 R CA -0.810 55.293 56.100 0.005 0.000 0.895 464 R CB 0.977 31.275 30.300 -0.003 0.000 1.246 464 R HN 0.101 nan 8.270 nan 0.000 0.459 465 L N 1.722 122.938 121.223 -0.012 0.000 2.431 465 L HA 0.552 4.892 4.340 -0.000 0.000 0.266 465 L C -1.501 175.360 176.870 -0.016 0.000 0.978 465 L CA -0.169 54.668 54.840 -0.006 0.000 0.822 465 L CB 2.126 44.180 42.059 -0.008 0.000 1.310 465 L HN 0.747 nan 8.230 nan 0.000 0.409 466 E N 3.457 123.658 120.200 0.002 0.000 2.246 466 E HA 0.602 4.952 4.350 -0.000 0.000 0.266 466 E C -1.907 174.714 176.600 0.035 0.000 0.880 466 E CA -0.673 55.732 56.400 0.008 0.000 0.762 466 E CB 2.156 31.862 29.700 0.010 0.000 1.180 466 E HN 0.522 nan 8.360 nan 0.000 0.416 467 V N 5.348 125.295 119.914 0.055 0.000 2.378 467 V HA 0.467 4.587 4.120 -0.000 0.000 0.288 467 V C -0.325 175.862 176.094 0.155 0.000 1.016 467 V CA -0.618 61.750 62.300 0.114 0.000 0.840 467 V CB 1.464 33.391 31.823 0.173 0.000 0.994 467 V HN 0.611 nan 8.190 nan 0.000 0.431 468 R N 3.618 124.196 120.500 0.130 0.000 2.514 468 R HA 0.826 5.166 4.340 -0.000 0.000 0.301 468 R C -0.987 175.392 176.300 0.132 0.000 0.962 468 R CA -1.017 55.164 56.100 0.135 0.000 0.882 468 R CB 2.256 32.609 30.300 0.087 0.000 1.143 468 R HN 0.460 nan 8.270 nan 0.000 0.452 469 K N 1.103 121.596 120.400 0.156 0.000 2.525 469 K HA 0.451 4.771 4.320 -0.000 0.000 0.254 469 K C -1.573 175.108 176.600 0.136 0.000 0.934 469 K CA -0.400 55.955 56.287 0.113 0.000 0.802 469 K CB 2.220 34.760 32.500 0.067 0.000 1.295 469 K HN 0.728 nan 8.250 nan 0.000 0.433 470 A N 2.973 125.848 122.820 0.092 0.000 2.362 470 A HA 0.560 4.880 4.320 -0.000 0.000 0.276 470 A C -0.737 176.907 177.584 0.101 0.000 1.153 470 A CA -0.391 51.705 52.037 0.099 0.000 0.813 470 A CB 0.379 19.414 19.000 0.059 0.000 1.081 470 A HN 0.388 nan 8.150 nan 0.000 0.507 471 V N 2.729 122.741 119.914 0.163 0.000 2.495 471 V HA 0.395 4.515 4.120 -0.000 0.000 0.298 471 V C 1.193 177.362 176.094 0.124 0.000 1.031 471 V CA 0.269 62.648 62.300 0.132 0.000 0.871 471 V CB 1.735 33.672 31.823 0.190 0.000 0.988 471 V HN 1.081 nan 8.190 nan 0.000 0.432 472 T N 0.443 115.041 114.554 0.073 0.000 3.060 472 T HA 0.317 4.667 4.350 -0.000 0.000 0.249 472 T C 0.998 175.771 174.700 0.121 0.000 1.079 472 T CA 0.485 62.632 62.100 0.078 0.000 1.013 472 T CB 0.222 69.107 68.868 0.028 0.000 0.975 472 T HN 1.850 nan 8.240 nan 0.000 0.518 473 A N 0.086 122.964 122.820 0.097 0.000 2.739 473 A HA -0.141 4.179 4.320 -0.000 0.000 0.296 473 A C 1.171 178.845 177.584 0.151 0.000 1.488 473 A CA 0.162 52.257 52.037 0.096 0.000 0.746 473 A CB -2.877 16.194 19.000 0.119 0.000 1.047 473 A HN 1.427 nan 8.150 nan 0.000 0.477 474 c N -2.954 115.689 118.600 0.073 0.000 4.454 474 c HA -0.157 4.413 4.570 -0.000 0.000 0.298 474 c C 0.824 174.947 174.090 0.055 0.000 1.384 474 c CA 0.505 56.867 56.329 0.055 0.000 2.002 474 c CB -2.757 39.779 42.510 0.043 0.000 1.249 474 c HN 2.017 nan 8.230 nan 0.000 0.783 475 L N 0.971 122.170 121.223 -0.041 0.000 2.540 475 L HA 0.488 4.828 4.340 -0.000 0.000 0.276 475 L C 1.348 178.056 176.870 -0.271 0.000 1.212 475 L CA 2.332 56.931 54.840 -0.403 0.000 0.893 475 L CB 0.399 42.297 42.059 -0.267 0.000 1.138 475 L HN 1.106 nan 8.230 nan 0.000 0.491 476 G N 2.546 111.151 108.800 -0.325 0.000 2.179 476 G HA2 -0.234 3.726 3.960 -0.000 0.000 0.260 476 G HA3 -0.234 3.726 3.960 -0.000 0.000 0.260 476 G C 0.178 175.031 174.900 -0.079 0.000 0.977 476 G CA 0.460 45.467 45.100 -0.155 0.000 0.641 476 G HN 0.670 nan 8.290 nan 0.000 0.533 477 E N -0.403 119.765 120.200 -0.052 0.000 2.320 477 E HA 0.458 4.808 4.350 -0.000 0.000 0.264 477 E C -1.877 174.741 176.600 0.029 0.000 0.923 477 E CA -2.123 54.271 56.400 -0.010 0.000 0.796 477 E CB 1.698 31.392 29.700 -0.009 0.000 1.262 477 E HN -0.031 nan 8.360 nan 0.000 0.428 478 P HA -0.108 nan 4.420 nan 0.000 0.219 478 P C 0.359 177.685 177.300 0.044 0.000 1.146 478 P CA 1.045 64.164 63.100 0.033 0.000 0.808 478 P CB 0.218 31.930 31.700 0.020 0.000 0.779 479 N N -1.560 117.163 118.700 0.037 0.000 2.276 479 N HA -0.023 4.717 4.740 -0.000 0.000 0.212 479 N C 0.209 175.750 175.510 0.051 0.000 1.127 479 N CA -0.038 53.026 53.050 0.024 0.000 0.834 479 N CB -0.557 37.921 38.487 -0.015 0.000 1.014 479 N HN 0.278 nan 8.380 nan 0.000 0.491 480 H N 1.284 120.340 119.070 -0.024 0.000 3.034 480 H HA 0.133 4.689 4.556 -0.000 0.000 0.324 480 H C -0.194 175.124 175.328 -0.017 0.000 1.015 480 H CA 0.734 56.770 56.048 -0.020 0.000 1.429 480 H CB 0.214 29.968 29.762 -0.014 0.000 1.429 480 H HN 0.048 nan 8.280 nan 0.000 0.585 481 I N 4.353 124.727 120.570 -0.327 0.000 2.509 481 I HA 0.159 4.329 4.170 -0.000 0.000 0.293 481 I C 0.581 176.464 176.117 -0.389 0.000 1.020 481 I CA -0.256 60.865 61.300 -0.300 0.000 1.088 481 I CB 2.257 40.180 38.000 -0.128 0.000 1.267 481 I HN 0.826 nan 8.210 nan 0.000 0.430 482 T N 0.854 115.230 114.554 -0.297 0.000 3.058 482 T HA 0.300 4.650 4.350 -0.000 0.000 0.278 482 T C 0.609 175.248 174.700 -0.100 0.000 0.974 482 T CA -0.248 61.735 62.100 -0.195 0.000 0.893 482 T CB 0.298 69.049 68.868 -0.195 0.000 1.138 482 T HN 0.395 nan 8.240 nan 0.000 0.529 483 R N 1.444 121.881 120.500 -0.106 0.000 2.521 483 R HA 0.497 4.837 4.340 -0.000 0.000 0.295 483 R C -0.963 175.259 176.300 -0.130 0.000 1.183 483 R CA -0.468 55.579 56.100 -0.088 0.000 0.957 483 R CB 1.240 31.491 30.300 -0.080 0.000 1.171 483 R HN 0.319 nan 8.270 nan 0.000 0.494 484 L N 2.500 123.651 121.223 -0.120 0.000 2.464 484 L HA 0.155 4.495 4.340 -0.000 0.000 0.264 484 L C 1.203 177.758 176.870 -0.526 0.000 1.199 484 L CA 0.550 55.282 54.840 -0.179 0.000 0.818 484 L CB 0.722 42.768 42.059 -0.021 0.000 1.102 484 L HN 0.614 nan 8.230 nan 0.000 0.473 485 E N -0.491 119.336 120.200 -0.622 0.000 4.072 485 E HA 0.224 4.573 4.350 -0.000 0.000 0.247 485 E C -0.747 175.441 176.600 -0.685 0.000 1.033 485 E CA -0.797 54.740 56.400 -1.438 0.000 1.019 485 E CB 0.361 29.360 29.700 -1.170 0.000 2.662 485 E HN 0.523 nan 8.360 nan 0.000 0.514 486 H N 0.137 119.086 119.070 -0.202 0.000 2.629 486 H HA 0.353 4.909 4.556 -0.000 0.000 0.357 486 H C -0.695 174.719 175.328 0.143 0.000 1.121 486 H CA -0.174 55.919 56.048 0.075 0.000 1.406 486 H CB 0.924 30.681 29.762 -0.007 0.000 1.456 486 H HN -0.085 nan 8.280 nan 0.000 0.579 487 V N 2.952 123.018 119.914 0.252 0.000 2.531 487 V HA 0.235 4.355 4.120 -0.000 0.000 0.301 487 V C -0.561 175.600 176.094 0.112 0.000 1.034 487 V CA -0.789 61.602 62.300 0.151 0.000 0.865 487 V CB 1.660 33.570 31.823 0.146 0.000 0.995 487 V HN 0.759 nan 8.190 nan 0.000 0.424 488 Q N 2.776 122.607 119.800 0.053 0.000 2.333 488 Q HA 0.770 5.110 4.340 -0.000 0.000 0.267 488 Q C -0.473 175.543 176.000 0.026 0.000 1.012 488 Q CA -0.633 55.183 55.803 0.022 0.000 0.824 488 Q CB 2.580 31.312 28.738 -0.010 0.000 1.290 488 Q HN 0.864 nan 8.270 nan 0.000 0.449 489 A N 3.458 126.338 122.820 0.101 0.000 2.394 489 A HA 0.371 4.691 4.320 -0.000 0.000 0.333 489 A C -0.482 177.240 177.584 0.229 0.000 1.397 489 A CA -0.640 51.530 52.037 0.221 0.000 0.884 489 A CB 0.289 19.373 19.000 0.140 0.000 1.147 489 A HN 0.667 nan 8.150 nan 0.000 0.505 490 R N 2.594 123.215 120.500 0.202 0.000 2.248 490 R HA 0.415 4.755 4.340 -0.000 0.000 0.337 490 R C -0.968 175.473 176.300 0.235 0.000 1.085 490 R CA 0.079 56.263 56.100 0.140 0.000 0.934 490 R CB 0.403 30.733 30.300 0.050 0.000 1.034 490 R HN 0.637 nan 8.270 nan 0.000 0.465 491 L N 2.052 123.426 121.223 0.252 0.000 2.334 491 L HA 0.511 4.850 4.340 -0.000 0.000 0.276 491 L C 0.047 177.073 176.870 0.260 0.000 1.014 491 L CA -0.736 54.245 54.840 0.236 0.000 0.815 491 L CB 2.240 44.410 42.059 0.185 0.000 1.268 491 L HN 0.448 nan 8.230 nan 0.000 0.428 492 T N 4.115 118.800 114.554 0.218 0.000 2.906 492 T HA 0.677 5.027 4.350 -0.000 0.000 0.302 492 T C -0.755 174.062 174.700 0.195 0.000 1.002 492 T CA -0.445 61.783 62.100 0.214 0.000 0.988 492 T CB 1.262 70.223 68.868 0.155 0.000 0.972 492 T HN 0.410 nan 8.240 nan 0.000 0.447 493 L N 0.650 122.012 121.223 0.232 0.000 2.479 493 L HA 1.009 5.349 4.340 -0.000 0.000 0.255 493 L C -0.501 176.472 176.870 0.172 0.000 1.026 493 L CA -1.007 53.948 54.840 0.192 0.000 0.842 493 L CB 1.791 43.968 42.059 0.196 0.000 1.444 493 L HN 0.481 nan 8.230 nan 0.000 0.409 494 S N -0.028 115.765 115.700 0.155 0.000 2.500 494 S HA 0.866 5.336 4.470 -0.000 0.000 0.301 494 S C -1.170 173.548 174.600 0.196 0.000 1.092 494 S CA -0.533 57.742 58.200 0.126 0.000 1.030 494 S CB 1.402 64.660 63.200 0.097 0.000 1.031 494 S HN 0.862 nan 8.310 nan 0.000 0.483 495 Y N 1.838 122.095 120.300 -0.072 0.000 2.609 495 Y HA 0.378 4.928 4.550 -0.000 0.000 0.336 495 Y C 0.719 176.479 175.900 -0.234 0.000 1.129 495 Y CA -1.100 56.911 58.100 -0.147 0.000 1.040 495 Y CB 1.623 40.020 38.460 -0.105 0.000 1.310 495 Y HN 0.790 nan 8.280 nan 0.000 0.460 496 N N 1.734 119.962 118.700 -0.786 0.000 2.333 496 N HA -0.044 4.696 4.740 -0.000 0.000 0.178 496 N C 0.212 175.546 175.510 -0.294 0.000 1.018 496 N CA 0.598 53.284 53.050 -0.608 0.000 0.882 496 N CB 0.403 38.234 38.487 -1.093 0.000 0.984 496 N HN 0.512 nan 8.380 nan 0.000 0.434 497 R N 0.703 121.074 120.500 -0.215 0.000 2.607 497 R HA 0.322 4.662 4.340 -0.000 0.000 0.278 497 R C 0.798 177.166 176.300 0.114 0.000 1.637 497 R CA -0.561 55.523 56.100 -0.027 0.000 1.325 497 R CB 0.585 30.867 30.300 -0.031 0.000 1.211 497 R HN -0.052 nan 8.270 nan 0.000 0.565 498 R N 2.106 122.630 120.500 0.040 0.000 2.113 498 R HA -0.127 4.213 4.340 -0.000 0.000 0.244 498 R C 1.451 177.737 176.300 -0.023 0.000 1.142 498 R CA 2.380 58.478 56.100 -0.003 0.000 0.953 498 R CB -0.435 29.759 30.300 -0.176 0.000 0.860 498 R HN 0.751 nan 8.270 nan 0.000 0.438 499 G N -0.229 108.517 108.800 -0.090 0.000 2.527 499 G HA2 -0.226 3.734 3.960 -0.000 0.000 0.219 499 G HA3 -0.226 3.734 3.960 -0.000 0.000 0.219 499 G C 0.643 175.480 174.900 -0.104 0.000 1.117 499 G CA 0.926 45.953 45.100 -0.122 0.000 0.759 499 G HN 0.362 nan 8.290 nan 0.000 0.556 500 D N -0.210 120.158 120.400 -0.052 0.000 2.347 500 D HA 0.104 4.744 4.640 -0.000 0.000 0.213 500 D C 1.251 177.518 176.300 -0.056 0.000 0.985 500 D CA -0.019 53.964 54.000 -0.028 0.000 0.879 500 D CB 0.213 41.051 40.800 0.063 0.000 0.919 500 D HN 0.242 nan 8.370 nan 0.000 0.526 501 L N 0.576 121.735 121.223 -0.107 0.000 2.417 501 L HA 0.441 4.781 4.340 -0.000 0.000 0.268 501 L C 0.235 177.018 176.870 -0.144 0.000 1.158 501 L CA -0.538 54.184 54.840 -0.197 0.000 0.819 501 L CB 1.071 42.968 42.059 -0.269 0.000 1.112 501 L HN -0.144 nan 8.230 nan 0.000 0.458 502 A N 4.803 127.527 122.820 -0.160 0.000 2.375 502 A HA 0.769 5.089 4.320 -0.000 0.000 0.295 502 A C -0.877 176.585 177.584 -0.204 0.000 1.066 502 A CA -0.403 51.539 52.037 -0.159 0.000 0.722 502 A CB 0.913 19.884 19.000 -0.047 0.000 1.206 502 A HN 0.601 nan 8.150 nan 0.000 0.435 503 I N 2.217 122.559 120.570 -0.380 0.000 2.465 503 I HA 0.474 4.644 4.170 -0.000 0.000 0.291 503 I C -0.736 175.057 176.117 -0.541 0.000 1.014 503 I CA -0.541 60.509 61.300 -0.416 0.000 1.093 503 I CB 2.108 39.735 38.000 -0.621 0.000 1.267 503 I HN 0.759 nan 8.210 nan 0.000 0.431 504 H N 4.865 123.797 119.070 -0.230 0.000 2.690 504 H HA 0.670 5.226 4.556 -0.000 0.000 0.368 504 H C -1.332 173.932 175.328 -0.108 0.000 1.150 504 H CA -0.694 55.264 56.048 -0.150 0.000 1.174 504 H CB 2.396 32.095 29.762 -0.104 0.000 1.684 504 H HN 0.337 nan 8.280 nan 0.000 0.538 505 L N 3.144 124.418 121.223 0.084 0.000 2.381 505 L HA 0.550 4.890 4.340 -0.000 0.000 0.274 505 L C -1.503 175.483 176.870 0.192 0.000 0.988 505 L CA -0.334 54.597 54.840 0.152 0.000 0.824 505 L CB 0.946 43.117 42.059 0.186 0.000 1.263 505 L HN 0.614 nan 8.230 nan 0.000 0.410 506 I N 4.044 124.720 120.570 0.177 0.000 2.362 506 I HA 0.404 4.574 4.170 -0.000 0.000 0.289 506 I C 0.288 176.318 176.117 -0.145 0.000 0.994 506 I CA -0.610 60.716 61.300 0.043 0.000 1.158 506 I CB 1.907 39.910 38.000 0.006 0.000 1.315 506 I HN 0.743 nan 8.210 nan 0.000 0.451 507 S N 5.546 121.011 115.700 -0.391 0.000 2.603 507 S HA 0.322 4.792 4.470 -0.000 0.000 0.268 507 S C -1.914 172.229 174.600 -0.762 0.000 1.317 507 S CA -1.018 56.523 58.200 -1.098 0.000 1.012 507 S CB 1.090 63.846 63.200 -0.739 0.000 0.926 507 S HN 0.386 nan 8.310 nan 0.000 0.539 508 P HA -0.088 nan 4.420 nan 0.000 0.217 508 P C 1.067 178.211 177.300 -0.261 0.000 1.148 508 P CA 1.432 64.261 63.100 -0.451 0.000 0.828 508 P CB -0.045 31.435 31.700 -0.367 0.000 0.783 509 M N -2.193 117.259 119.600 -0.247 0.000 2.633 509 M HA 0.219 4.699 4.480 -0.000 0.000 0.226 509 M C 1.091 177.329 176.300 -0.103 0.000 1.137 509 M CA 0.954 56.175 55.300 -0.131 0.000 1.020 509 M CB -0.745 31.802 32.600 -0.089 0.000 1.675 509 M HN 0.107 nan 8.290 nan 0.000 0.500 510 G N 0.906 109.625 108.800 -0.134 0.000 2.159 510 G HA2 -0.210 3.750 3.960 -0.000 0.000 0.256 510 G HA3 -0.210 3.750 3.960 -0.000 0.000 0.256 510 G C 0.139 175.012 174.900 -0.046 0.000 0.977 510 G CA 0.267 45.318 45.100 -0.081 0.000 0.652 510 G HN 0.424 nan 8.290 nan 0.000 0.531 511 T N 0.795 115.318 114.554 -0.050 0.000 2.737 511 T HA 0.433 4.782 4.350 -0.000 0.000 0.296 511 T C 0.566 175.296 174.700 0.050 0.000 0.922 511 T CA -0.094 62.020 62.100 0.023 0.000 1.079 511 T CB 1.119 70.019 68.868 0.055 0.000 0.892 511 T HN 0.463 nan 8.240 nan 0.000 0.514 512 R N 2.997 123.552 120.500 0.091 0.000 2.204 512 R HA 0.337 4.676 4.340 -0.000 0.000 0.341 512 R C -0.557 175.870 176.300 0.212 0.000 1.035 512 R CA -0.233 55.941 56.100 0.123 0.000 0.887 512 R CB 0.260 30.611 30.300 0.085 0.000 1.114 512 R HN 0.503 nan 8.270 nan 0.000 0.473 513 S N 2.374 118.186 115.700 0.187 0.000 2.480 513 S HA 0.192 4.662 4.470 -0.000 0.000 0.286 513 S C -0.442 174.231 174.600 0.122 0.000 1.180 513 S CA -0.513 57.789 58.200 0.170 0.000 1.075 513 S CB 1.863 65.085 63.200 0.037 0.000 0.996 513 S HN 0.505 nan 8.310 nan 0.000 0.487 514 T N 4.642 119.271 114.554 0.125 0.000 2.782 514 T HA 0.210 4.560 4.350 -0.000 0.000 0.298 514 T C 1.482 176.015 174.700 -0.279 0.000 0.944 514 T CA -0.250 61.622 62.100 -0.379 0.000 1.001 514 T CB -0.093 68.385 68.868 -0.648 0.000 0.932 514 T HN 0.445 nan 8.240 nan 0.000 0.524 515 L N 2.811 123.824 121.223 -0.349 0.000 2.156 515 L HA 0.194 4.534 4.340 -0.000 0.000 0.208 515 L C 0.465 177.168 176.870 -0.278 0.000 1.095 515 L CA 0.807 55.475 54.840 -0.286 0.000 0.770 515 L CB -0.060 41.701 42.059 -0.497 0.000 0.914 515 L HN 0.396 nan 8.230 nan 0.000 0.439 516 L N -0.513 120.463 121.223 -0.412 0.000 2.614 516 L HA 0.635 4.975 4.340 -0.000 0.000 0.264 516 L C -0.668 176.038 176.870 -0.274 0.000 0.940 516 L CA -0.287 54.398 54.840 -0.259 0.000 0.903 516 L CB 1.409 43.287 42.059 -0.301 0.000 1.306 516 L HN -0.109 nan 8.230 nan 0.000 0.410 517 A N 3.557 126.277 122.820 -0.167 0.000 2.269 517 A HA 0.934 5.254 4.320 -0.000 0.000 0.319 517 A C 0.072 177.608 177.584 -0.081 0.000 1.110 517 A CA -0.167 51.784 52.037 -0.144 0.000 0.847 517 A CB 0.917 19.849 19.000 -0.114 0.000 1.161 517 A HN 1.313 nan 8.150 nan 0.000 0.497 518 A N 0.450 123.222 122.820 -0.079 0.000 2.531 518 A HA 0.457 4.777 4.320 -0.000 0.000 0.236 518 A C 0.334 177.879 177.584 -0.065 0.000 1.062 518 A CA 0.244 52.233 52.037 -0.080 0.000 0.760 518 A CB -0.146 18.793 19.000 -0.101 0.000 0.995 518 A HN 0.683 nan 8.150 nan 0.000 0.501 519 R N 3.325 123.781 120.500 -0.073 0.000 2.415 519 R HA 0.258 4.598 4.340 -0.000 0.000 0.292 519 R C -2.059 174.139 176.300 -0.171 0.000 1.295 519 R CA -1.601 54.469 56.100 -0.051 0.000 1.137 519 R CB 1.487 31.788 30.300 0.001 0.000 1.135 519 R HN 0.593 nan 8.270 nan 0.000 0.560 520 P HA -0.221 nan 4.420 nan 0.000 0.219 520 P C 0.271 177.234 177.300 -0.563 0.000 1.144 520 P CA 1.416 64.261 63.100 -0.425 0.000 0.806 520 P CB 0.288 31.700 31.700 -0.480 0.000 0.771 521 H N -1.537 117.431 119.070 -0.170 0.000 2.539 521 H HA 0.135 4.691 4.556 -0.000 0.000 0.269 521 H C 0.138 175.339 175.328 -0.212 0.000 0.980 521 H CA 0.025 56.006 56.048 -0.111 0.000 1.152 521 H CB -0.006 29.789 29.762 0.055 0.000 1.407 521 H HN 0.171 nan 8.280 nan 0.000 0.564 522 D N 0.248 120.504 120.400 -0.239 0.000 2.411 522 D HA 0.009 4.649 4.640 -0.000 0.000 0.225 522 D C -0.037 176.070 176.300 -0.323 0.000 1.156 522 D CA -0.345 53.552 54.000 -0.172 0.000 0.874 522 D CB -0.040 40.695 40.800 -0.108 0.000 1.034 522 D HN 0.132 nan 8.370 nan 0.000 0.502 523 Y N 1.363 121.661 120.300 -0.003 0.000 2.458 523 Y HA 0.158 4.708 4.550 -0.000 0.000 0.256 523 Y C 1.545 177.419 175.900 -0.044 0.000 1.159 523 Y CA -0.391 57.698 58.100 -0.020 0.000 1.261 523 Y CB 0.303 38.759 38.460 -0.008 0.000 1.119 523 Y HN 0.247 nan 8.280 nan 0.000 0.524 524 S N 0.814 116.538 115.700 0.039 0.000 2.554 524 S HA 0.182 4.652 4.470 -0.000 0.000 0.290 524 S C 1.129 175.697 174.600 -0.052 0.000 1.309 524 S CA 0.490 58.675 58.200 -0.025 0.000 1.047 524 S CB 0.722 63.861 63.200 -0.101 0.000 0.828 524 S HN 0.437 nan 8.310 nan 0.000 0.509 525 A N 3.150 125.938 122.820 -0.054 0.000 2.538 525 A HA 0.293 4.613 4.320 -0.000 0.000 0.269 525 A C 1.051 178.592 177.584 -0.072 0.000 1.231 525 A CA -0.187 51.810 52.037 -0.066 0.000 0.948 525 A CB 0.043 19.015 19.000 -0.046 0.000 1.110 525 A HN 0.764 nan 8.150 nan 0.000 0.529 526 D N 0.493 120.832 120.400 -0.102 0.000 2.277 526 D HA 0.235 4.875 4.640 -0.000 0.000 0.208 526 D C 1.595 177.805 176.300 -0.150 0.000 0.962 526 D CA 1.498 55.431 54.000 -0.113 0.000 0.865 526 D CB 0.014 40.731 40.800 -0.138 0.000 0.939 526 D HN 0.602 nan 8.370 nan 0.000 0.510 527 G N 0.044 108.704 108.800 -0.234 0.000 2.552 527 G HA2 -0.260 3.700 3.960 -0.000 0.000 0.265 527 G HA3 -0.260 3.700 3.960 -0.000 0.000 0.265 527 G C -0.443 174.135 174.900 -0.535 0.000 1.234 527 G CA -0.267 44.667 45.100 -0.276 0.000 0.944 527 G HN 0.229 nan 8.290 nan 0.000 0.568 528 F N 0.843 120.819 119.950 0.044 0.000 2.565 528 F HA 0.556 5.083 4.527 -0.000 0.000 0.313 528 F C 0.247 176.103 175.800 0.093 0.000 1.091 528 F CA -0.853 57.178 58.000 0.053 0.000 0.915 528 F CB 2.388 41.479 39.000 0.151 0.000 1.208 528 F HN 0.320 nan 8.300 nan 0.000 0.453 529 N N 2.515 121.388 118.700 0.289 0.000 2.626 529 N HA 0.120 4.860 4.740 -0.000 0.000 0.249 529 N C -1.074 174.570 175.510 0.224 0.000 1.021 529 N CA -0.230 52.944 53.050 0.208 0.000 0.886 529 N CB 1.247 39.812 38.487 0.130 0.000 1.149 529 N HN 0.734 nan 8.380 nan 0.000 0.517 530 D N 1.072 121.592 120.400 0.200 0.000 2.689 530 D HA -0.203 4.437 4.640 -0.000 0.000 0.237 530 D C -0.572 175.804 176.300 0.126 0.000 1.148 530 D CA 0.602 54.683 54.000 0.135 0.000 0.656 530 D CB -0.721 40.123 40.800 0.074 0.000 1.050 530 D HN 0.544 nan 8.370 nan 0.000 0.426 531 W N 0.369 121.640 121.300 -0.048 0.000 2.311 531 W HA 0.540 5.200 4.660 -0.000 0.000 0.310 531 W C -0.057 176.259 176.519 -0.339 0.000 1.274 531 W CA -0.345 56.850 57.345 -0.250 0.000 1.215 531 W CB 0.690 29.904 29.460 -0.410 0.000 1.227 531 W HN 0.229 nan 8.180 nan 0.000 0.523 532 A N 7.630 129.903 122.820 -0.912 0.000 3.015 532 A HA 0.283 4.603 4.320 -0.000 0.000 0.293 532 A C -0.765 176.449 177.584 -0.615 0.000 1.572 532 A CA -0.474 51.209 52.037 -0.590 0.000 1.274 532 A CB -0.971 17.745 19.000 -0.474 0.000 1.156 532 A HN 0.512 nan 8.150 nan 0.000 0.562 533 F N 1.736 121.507 119.950 -0.299 0.000 2.608 533 F HA 0.165 4.692 4.527 -0.000 0.000 0.380 533 F C 0.827 176.540 175.800 -0.144 0.000 1.083 533 F CA 0.612 58.511 58.000 -0.169 0.000 1.266 533 F CB 0.535 39.470 39.000 -0.108 0.000 1.076 533 F HN 0.386 nan 8.300 nan 0.000 0.574 534 M N 3.511 123.128 119.600 0.029 0.000 2.456 534 M HA 0.366 4.845 4.480 -0.000 0.000 0.324 534 M C -0.884 175.455 176.300 0.064 0.000 1.124 534 M CA -0.224 55.091 55.300 0.025 0.000 0.959 534 M CB 1.970 34.539 32.600 -0.051 0.000 1.692 534 M HN 0.627 nan 8.290 nan 0.000 0.444 535 T N 1.619 116.234 114.554 0.102 0.000 2.861 535 T HA 0.541 4.891 4.350 -0.000 0.000 0.287 535 T C 0.638 175.463 174.700 0.208 0.000 1.003 535 T CA -0.202 61.949 62.100 0.085 0.000 0.977 535 T CB 0.900 69.802 68.868 0.057 0.000 0.996 535 T HN 0.829 nan 8.240 nan 0.000 0.448 536 T N 0.545 115.257 114.554 0.265 0.000 3.054 536 T HA 0.192 4.542 4.350 -0.000 0.000 0.255 536 T C 1.263 176.275 174.700 0.520 0.000 1.035 536 T CA 0.104 62.455 62.100 0.418 0.000 0.941 536 T CB -0.426 68.654 68.868 0.353 0.000 1.026 536 T HN 0.816 nan 8.240 nan 0.000 0.533 537 H N 1.077 120.231 119.070 0.140 0.000 2.521 537 H HA 0.125 4.681 4.556 -0.000 0.000 0.286 537 H C 1.199 176.649 175.328 0.203 0.000 1.034 537 H CA 0.675 56.763 56.048 0.068 0.000 1.278 537 H CB 0.311 30.030 29.762 -0.072 0.000 1.386 537 H HN 0.352 nan 8.280 nan 0.000 0.567 538 S N 0.233 116.156 115.700 0.372 0.000 2.575 538 S HA -0.026 4.444 4.470 -0.000 0.000 0.237 538 S C 0.025 174.804 174.600 0.299 0.000 0.975 538 S CA -0.467 57.907 58.200 0.289 0.000 0.960 538 S CB 0.046 63.405 63.200 0.264 0.000 0.822 538 S HN 0.367 nan 8.310 nan 0.000 0.472 539 W N 3.235 124.632 121.300 0.162 0.000 2.343 539 W HA -0.062 4.598 4.660 -0.000 0.000 0.337 539 W C -0.006 176.544 176.519 0.052 0.000 1.320 539 W CA 1.016 58.396 57.345 0.057 0.000 1.290 539 W CB 0.043 29.492 29.460 -0.019 0.000 1.206 539 W HN 0.394 nan 8.180 nan 0.000 0.565 540 D N 1.471 121.859 120.400 -0.020 0.000 2.911 540 D HA -0.210 4.430 4.640 -0.000 0.000 0.199 540 D C 0.060 176.388 176.300 0.047 0.000 1.041 540 D CA 1.440 55.468 54.000 0.046 0.000 1.013 540 D CB -0.888 40.027 40.800 0.192 0.000 1.093 540 D HN 0.595 nan 8.370 nan 0.000 0.431 541 E N 0.744 120.982 120.200 0.063 0.000 2.371 541 E HA 0.233 4.583 4.350 -0.000 0.000 0.257 541 E C 0.113 176.729 176.600 0.028 0.000 1.134 541 E CA -0.454 55.975 56.400 0.048 0.000 0.919 541 E CB 0.708 30.441 29.700 0.055 0.000 1.025 541 E HN 0.020 nan 8.360 nan 0.000 0.438 542 D N 2.003 122.412 120.400 0.015 0.000 2.295 542 D HA 0.064 4.703 4.640 -0.000 0.000 0.248 542 D C -1.606 174.724 176.300 0.050 0.000 1.154 542 D CA -2.316 51.693 54.000 0.016 0.000 0.857 542 D CB 1.116 41.919 40.800 0.005 0.000 1.117 542 D HN 0.104 nan 8.370 nan 0.000 0.468 543 P HA 0.047 nan 4.420 nan 0.000 0.233 543 P C 0.114 177.593 177.300 0.299 0.000 1.167 543 P CA -0.013 63.268 63.100 0.302 0.000 0.770 543 P CB 0.162 32.057 31.700 0.326 0.000 0.837 544 A N 0.306 123.221 122.820 0.158 0.000 2.488 544 A HA 0.509 4.829 4.320 -0.000 0.000 0.249 544 A C 0.919 178.555 177.584 0.086 0.000 1.083 544 A CA 0.833 52.956 52.037 0.142 0.000 0.768 544 A CB -0.733 18.336 19.000 0.115 0.000 1.017 544 A HN 0.441 nan 8.150 nan 0.000 0.496 545 G N 1.017 109.881 108.800 0.106 0.000 2.302 545 G HA2 0.239 4.199 3.960 -0.000 0.000 0.276 545 G HA3 0.239 4.199 3.960 -0.000 0.000 0.276 545 G C -0.674 174.272 174.900 0.077 0.000 1.316 545 G CA -0.207 44.917 45.100 0.040 0.000 0.988 545 G HN 1.100 nan 8.290 nan 0.000 0.479 546 E N -0.284 119.919 120.200 0.006 0.000 2.167 546 E HA 0.506 4.856 4.350 -0.000 0.000 0.284 546 E C -0.905 175.702 176.600 0.012 0.000 1.016 546 E CA -0.762 55.673 56.400 0.059 0.000 0.817 546 E CB 0.596 30.317 29.700 0.035 0.000 1.080 546 E HN 0.430 nan 8.360 nan 0.000 0.397 547 W N 3.279 124.606 121.300 0.046 0.000 2.448 547 W HA 0.470 5.130 4.660 -0.000 0.000 0.339 547 W C -0.842 175.734 176.519 0.095 0.000 1.124 547 W CA -0.472 56.917 57.345 0.074 0.000 1.262 547 W CB 1.632 31.147 29.460 0.092 0.000 1.251 547 W HN 0.212 nan 8.180 nan 0.000 0.597 548 V N 4.284 124.393 119.914 0.326 0.000 2.577 548 V HA 0.378 4.498 4.120 -0.000 0.000 0.303 548 V C -1.088 175.121 176.094 0.193 0.000 1.042 548 V CA -1.054 61.373 62.300 0.213 0.000 0.872 548 V CB 1.464 33.346 31.823 0.098 0.000 0.998 548 V HN 0.327 nan 8.190 nan 0.000 0.423 549 L N 4.546 125.845 121.223 0.127 0.000 2.307 549 L HA 0.669 5.009 4.340 -0.000 0.000 0.284 549 L C -0.243 176.589 176.870 -0.063 0.000 1.023 549 L CA 0.331 55.138 54.840 -0.055 0.000 0.810 549 L CB 1.564 43.408 42.059 -0.358 0.000 1.231 549 L HN 0.713 nan 8.230 nan 0.000 0.423 550 E N 6.063 126.220 120.200 -0.071 0.000 2.199 550 E HA 0.531 4.881 4.350 -0.000 0.000 0.265 550 E C -1.248 175.301 176.600 -0.087 0.000 0.882 550 E CA -0.367 56.003 56.400 -0.050 0.000 0.759 550 E CB 2.240 31.933 29.700 -0.011 0.000 1.148 550 E HN 0.509 nan 8.360 nan 0.000 0.412 551 I N 3.258 123.767 120.570 -0.102 0.000 2.466 551 I HA 0.277 4.446 4.170 -0.000 0.000 0.289 551 I C -0.364 175.688 176.117 -0.109 0.000 1.026 551 I CA -0.577 60.636 61.300 -0.144 0.000 1.078 551 I CB 1.598 39.490 38.000 -0.181 0.000 1.249 551 I HN 0.536 nan 8.210 nan 0.000 0.429 552 E N 4.675 124.807 120.200 -0.113 0.000 2.383 552 E HA 0.346 4.696 4.350 -0.000 0.000 0.275 552 E C -1.421 175.122 176.600 -0.095 0.000 0.918 552 E CA -1.008 55.346 56.400 -0.078 0.000 0.764 552 E CB 2.223 31.898 29.700 -0.042 0.000 1.252 552 E HN 0.398 nan 8.360 nan 0.000 0.449 553 N N 1.519 120.198 118.700 -0.035 0.000 2.406 553 N HA 0.036 4.776 4.740 -0.000 0.000 0.251 553 N C 0.469 175.982 175.510 0.005 0.000 1.069 553 N CA -0.020 53.039 53.050 0.015 0.000 0.947 553 N CB 1.253 39.820 38.487 0.133 0.000 1.111 553 N HN 0.629 nan 8.380 nan 0.000 0.497 554 T N -0.228 114.316 114.554 -0.016 0.000 3.160 554 T HA 0.040 4.389 4.350 -0.000 0.000 0.257 554 T C 0.849 175.539 174.700 -0.016 0.000 1.147 554 T CA -0.045 62.041 62.100 -0.023 0.000 1.064 554 T CB -0.133 68.709 68.868 -0.043 0.000 0.949 554 T HN 0.314 nan 8.240 nan 0.000 0.526 555 S N -0.148 115.554 115.700 0.003 0.000 2.690 555 S HA 0.337 4.807 4.470 -0.000 0.000 0.291 555 S C 0.844 175.454 174.600 0.017 0.000 1.138 555 S CA -0.717 57.486 58.200 0.005 0.000 1.013 555 S CB 1.277 64.484 63.200 0.012 0.000 1.053 555 S HN 0.170 nan 8.310 nan 0.000 0.539 556 E N 0.972 121.180 120.200 0.013 0.000 2.478 556 E HA 0.242 4.592 4.350 -0.000 0.000 0.194 556 E C 0.724 177.340 176.600 0.026 0.000 1.045 556 E CA 0.079 56.490 56.400 0.017 0.000 0.868 556 E CB -0.036 29.671 29.700 0.011 0.000 0.885 556 E HN 0.633 nan 8.360 nan 0.000 0.505 557 A N 1.741 124.579 122.820 0.030 0.000 2.448 557 A HA 0.009 4.329 4.320 -0.000 0.000 0.239 557 A C 0.543 178.154 177.584 0.046 0.000 1.080 557 A CA -0.135 51.923 52.037 0.035 0.000 0.779 557 A CB -0.171 18.848 19.000 0.033 0.000 1.026 557 A HN 0.225 nan 8.150 nan 0.000 0.499 558 N N 2.217 120.949 118.700 0.053 0.000 2.895 558 N HA 0.005 4.745 4.740 -0.000 0.000 0.277 558 N C -0.594 174.983 175.510 0.112 0.000 1.185 558 N CA -0.412 52.685 53.050 0.078 0.000 1.106 558 N CB -0.207 38.322 38.487 0.070 0.000 1.422 558 N HN 0.607 nan 8.380 nan 0.000 0.521 559 N N 1.622 120.345 118.700 0.037 0.000 2.458 559 N HA 0.309 5.049 4.740 -0.000 0.000 0.271 559 N C -1.045 174.367 175.510 -0.163 0.000 1.210 559 N CA 0.104 53.023 53.050 -0.219 0.000 0.978 559 N CB 0.882 39.176 38.487 -0.323 0.000 1.206 559 N HN 0.453 nan 8.380 nan 0.000 0.536 560 Y N -3.730 116.232 120.300 -0.564 0.000 2.624 560 Y HA 0.730 5.280 4.550 -0.000 0.000 0.334 560 Y C -0.173 175.516 175.900 -0.351 0.000 1.155 560 Y CA -1.225 56.700 58.100 -0.293 0.000 1.046 560 Y CB 1.147 39.518 38.460 -0.148 0.000 1.316 560 Y HN 0.682 nan 8.280 nan 0.000 0.457 561 G N -0.007 108.883 108.800 0.151 0.000 2.322 561 G HA2 0.521 4.481 3.960 -0.000 0.000 0.295 561 G HA3 0.521 4.481 3.960 -0.000 0.000 0.295 561 G C -1.934 173.111 174.900 0.243 0.000 1.369 561 G CA -0.784 44.459 45.100 0.238 0.000 0.821 561 G HN 0.740 nan 8.290 nan 0.000 0.536 562 T N 0.220 114.893 114.554 0.198 0.000 2.916 562 T HA 0.512 4.862 4.350 -0.000 0.000 0.298 562 T C -1.122 173.653 174.700 0.127 0.000 1.031 562 T CA -0.423 61.763 62.100 0.144 0.000 0.993 562 T CB 1.843 70.780 68.868 0.115 0.000 1.045 562 T HN 0.780 nan 8.240 nan 0.000 0.454 563 L N 3.988 125.271 121.223 0.101 0.000 2.261 563 L HA 0.478 4.818 4.340 -0.000 0.000 0.289 563 L C 1.328 178.256 176.870 0.097 0.000 1.059 563 L CA 0.274 55.168 54.840 0.090 0.000 0.816 563 L CB 0.650 42.742 42.059 0.054 0.000 1.191 563 L HN 0.897 nan 8.230 nan 0.000 0.431 564 T N 1.010 115.628 114.554 0.106 0.000 3.014 564 T HA 0.231 4.581 4.350 -0.000 0.000 0.250 564 T C 0.582 175.342 174.700 0.101 0.000 1.060 564 T CA 0.001 62.159 62.100 0.096 0.000 1.040 564 T CB 0.018 68.939 68.868 0.089 0.000 0.971 564 T HN 0.493 nan 8.240 nan 0.000 0.497 565 K N -0.010 120.466 120.400 0.127 0.000 2.557 565 K HA 0.511 4.831 4.320 -0.000 0.000 0.257 565 K C -2.474 174.263 176.600 0.229 0.000 0.933 565 K CA -0.999 55.373 56.287 0.141 0.000 0.820 565 K CB 1.954 34.518 32.500 0.108 0.000 1.330 565 K HN 0.025 nan 8.250 nan 0.000 0.432 566 F N 3.102 123.060 119.950 0.013 0.000 2.828 566 F HA 0.415 4.941 4.527 -0.000 0.000 0.355 566 F C -1.611 174.170 175.800 -0.032 0.000 1.200 566 F CA -0.380 57.619 58.000 -0.001 0.000 1.062 566 F CB 1.518 40.516 39.000 -0.003 0.000 1.351 566 F HN 0.368 nan 8.300 nan 0.000 0.504 567 T N 7.112 121.702 114.554 0.061 0.000 2.779 567 T HA 0.496 4.846 4.350 -0.000 0.000 0.280 567 T C -0.963 173.604 174.700 -0.221 0.000 0.987 567 T CA -0.429 61.558 62.100 -0.188 0.000 0.966 567 T CB 1.380 70.193 68.868 -0.091 0.000 0.933 567 T HN 0.523 nan 8.240 nan 0.000 0.442 568 L N 5.506 126.457 121.223 -0.452 0.000 2.257 568 L HA 0.584 4.924 4.340 -0.000 0.000 0.290 568 L C -0.858 175.816 176.870 -0.326 0.000 1.044 568 L CA -0.286 54.316 54.840 -0.396 0.000 0.810 568 L CB 0.767 42.444 42.059 -0.636 0.000 1.193 568 L HN 0.418 nan 8.230 nan 0.000 0.425 569 V N 6.856 126.620 119.914 -0.250 0.000 2.357 569 V HA 0.415 4.535 4.120 -0.000 0.000 0.284 569 V C -0.057 175.866 176.094 -0.283 0.000 1.018 569 V CA -0.565 61.565 62.300 -0.282 0.000 0.841 569 V CB 1.372 33.046 31.823 -0.249 0.000 0.991 569 V HN 0.559 nan 8.190 nan 0.000 0.437 570 L N 5.579 126.604 121.223 -0.328 0.000 2.296 570 L HA 0.588 4.928 4.340 -0.000 0.000 0.286 570 L C -1.046 175.663 176.870 -0.269 0.000 1.023 570 L CA -0.562 54.146 54.840 -0.221 0.000 0.812 570 L CB 1.153 43.107 42.059 -0.176 0.000 1.223 570 L HN 0.492 nan 8.230 nan 0.000 0.421 571 Y N 1.373 121.640 120.300 -0.055 0.000 2.409 571 Y HA 0.808 5.358 4.550 -0.000 0.000 0.339 571 Y C 0.737 176.572 175.900 -0.109 0.000 1.033 571 Y CA -0.156 57.921 58.100 -0.037 0.000 1.094 571 Y CB 2.290 40.775 38.460 0.041 0.000 1.210 571 Y HN 0.716 nan 8.280 nan 0.000 0.456 572 G N 0.378 109.211 108.800 0.054 0.000 2.360 572 G HA2 0.440 4.400 3.960 -0.000 0.000 0.276 572 G HA3 0.440 4.400 3.960 -0.000 0.000 0.276 572 G C -0.948 173.924 174.900 -0.046 0.000 1.256 572 G CA -0.279 44.779 45.100 -0.070 0.000 0.890 572 G HN 0.738 nan 8.290 nan 0.000 0.486 573 T N -2.773 111.734 114.554 -0.079 0.000 2.669 573 T HA 0.892 5.242 4.350 -0.000 0.000 0.283 573 T C -0.509 174.131 174.700 -0.101 0.000 1.019 573 T CA 0.090 62.149 62.100 -0.067 0.000 1.039 573 T CB 1.603 70.435 68.868 -0.059 0.000 1.374 573 T HN 2.253 nan 8.240 nan 0.000 0.523 574 A N 2.065 124.833 122.820 -0.087 0.000 2.353 574 A HA 0.726 5.046 4.320 -0.000 0.000 0.299 574 A C -2.788 174.756 177.584 -0.066 0.000 1.089 574 A CA -1.851 50.125 52.037 -0.101 0.000 0.736 574 A CB 0.677 19.627 19.000 -0.084 0.000 1.195 574 A HN 0.713 nan 8.150 nan 0.000 0.447 575 P HA -0.009 nan 4.420 nan 0.000 0.252 575 P C 0.016 177.294 177.300 -0.037 0.000 1.183 575 P CA 0.658 63.727 63.100 -0.051 0.000 0.973 575 P CB 0.070 31.744 31.700 -0.043 0.000 0.990 576 E N 2.604 122.779 120.200 -0.041 0.000 4.138 576 E HA 0.592 4.942 4.350 -0.000 0.000 0.369 576 E C 0.781 177.358 176.600 -0.038 0.000 0.995 576 E CA -0.484 55.897 56.400 -0.032 0.000 2.264 576 E CB 0.039 29.719 29.700 -0.033 0.000 1.876 576 E HN 0.264 nan 8.360 nan 0.000 0.697 577 G N -0.804 107.974 108.800 -0.037 0.000 4.197 577 G HA2 0.188 4.148 3.960 -0.000 0.000 0.197 577 G HA3 0.188 4.148 3.960 -0.000 0.000 0.197 577 G C 0.069 174.948 174.900 -0.034 0.000 1.033 577 G CA -0.008 45.068 45.100 -0.040 0.000 0.876 577 G HN 0.507 nan 8.290 nan 0.000 0.314 578 L N 0.000 121.208 121.223 -0.025 0.000 2.949 578 L HA 0.000 4.340 4.340 -0.000 0.000 0.249 578 L CA 0.000 54.828 54.840 -0.019 0.000 0.813 578 L CB 0.000 42.046 42.059 -0.022 0.000 0.961 578 L HN 0.000 nan 8.230 nan 0.000 0.502