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_C 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 VLYGTAP 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 0.000 176.148 176.094 0.091 0.000 1.182 109 V CA 0.000 62.342 62.300 0.069 0.000 1.235 109 V CB 0.000 31.858 31.823 0.059 0.000 1.184 110 Y N 2.110 122.429 120.300 0.032 0.000 2.346 110 Y HA 0.537 5.086 4.550 -0.000 0.000 0.330 110 Y C 0.216 176.142 175.900 0.042 0.000 1.178 110 Y CA 0.265 58.391 58.100 0.042 0.000 1.331 110 Y CB 1.032 39.536 38.460 0.074 0.000 1.253 110 Y HN 0.749 nan 8.280 nan 0.000 0.529 111 Q N 5.942 125.193 119.800 -0.914 0.000 2.325 111 Q HA 0.237 4.577 4.340 -0.000 0.000 0.262 111 Q C -0.775 174.605 176.000 -1.033 0.000 0.968 111 Q CA -0.846 54.530 55.803 -0.711 0.000 0.877 111 Q CB 0.876 29.383 28.738 -0.384 0.000 1.253 111 Q HN 0.842 nan 8.270 nan 0.000 0.448 112 E N 3.902 123.777 120.200 -0.541 0.000 2.392 112 E HA 0.322 4.672 4.350 -0.000 0.000 0.259 112 E C -2.235 174.108 176.600 -0.429 0.000 1.108 112 E CA -1.830 54.397 56.400 -0.288 0.000 0.916 112 E CB 0.130 29.884 29.700 0.091 0.000 0.989 112 E HN 0.326 nan 8.360 nan 0.000 0.432 113 P HA -0.073 nan 4.420 nan 0.000 0.266 113 P C 0.157 177.194 177.300 -0.438 0.000 1.193 113 P CA 0.398 63.047 63.100 -0.751 0.000 0.770 113 P CB 0.562 31.566 31.700 -1.160 0.000 0.836 114 T N -2.499 111.883 114.554 -0.286 0.000 3.069 114 T HA 0.129 4.479 4.350 -0.000 0.000 0.252 114 T C 0.075 174.738 174.700 -0.062 0.000 1.053 114 T CA -0.345 61.679 62.100 -0.127 0.000 0.964 114 T CB -0.686 68.109 68.868 -0.121 0.000 1.005 114 T HN 0.195 nan 8.240 nan 0.000 0.532 115 D N 4.441 124.790 120.400 -0.086 0.000 2.525 115 D HA 0.089 4.729 4.640 -0.000 0.000 0.235 115 D C -1.000 175.343 176.300 0.072 0.000 1.137 115 D CA -1.132 52.860 54.000 -0.012 0.000 0.868 115 D CB 0.812 41.601 40.800 -0.018 0.000 1.180 115 D HN 0.132 nan 8.370 nan 0.000 0.465 116 P HA -0.230 nan 4.420 nan 0.000 0.217 116 P C 0.613 177.966 177.300 0.088 0.000 1.151 116 P CA 1.379 64.517 63.100 0.065 0.000 0.849 116 P CB 0.312 32.040 31.700 0.046 0.000 0.787 117 K N -1.960 118.504 120.400 0.107 0.000 2.358 117 K HA 0.112 4.432 4.320 -0.000 0.000 0.197 117 K C 1.618 178.292 176.600 0.123 0.000 1.025 117 K CA -0.363 55.988 56.287 0.106 0.000 1.104 117 K CB -0.775 31.786 32.500 0.103 0.000 0.855 117 K HN 0.107 nan 8.250 nan 0.000 0.531 118 F N 3.362 123.321 119.950 0.015 0.000 2.120 118 F HA -0.109 4.417 4.527 -0.000 0.000 0.300 118 F C -1.091 174.714 175.800 0.009 0.000 1.095 118 F CA 0.839 58.846 58.000 0.012 0.000 1.249 118 F CB -0.929 38.080 39.000 0.016 0.000 0.995 118 F HN 0.018 nan 8.300 nan 0.000 0.480 119 P HA -0.185 nan 4.420 nan 0.000 0.220 119 P C 1.329 178.531 177.300 -0.163 0.000 1.148 119 P CA 1.616 64.602 63.100 -0.190 0.000 0.803 119 P CB -0.155 31.534 31.700 -0.019 0.000 0.782 120 Q N -0.768 118.990 119.800 -0.071 0.000 2.435 120 Q HA -0.046 4.294 4.340 -0.000 0.000 0.207 120 Q C 0.735 176.734 176.000 -0.001 0.000 0.956 120 Q CA 0.493 56.312 55.803 0.027 0.000 0.917 120 Q CB -0.179 28.610 28.738 0.085 0.000 0.997 120 Q HN 0.389 nan 8.270 nan 0.000 0.497 121 Q N 0.742 120.371 119.800 -0.286 0.000 3.254 121 Q HA -0.042 4.298 4.340 -0.000 0.000 0.315 121 Q C 0.413 175.834 176.000 -0.964 0.000 1.405 121 Q CA -0.340 55.017 55.803 -0.744 0.000 0.966 121 Q CB -0.128 28.220 28.738 -0.650 0.000 1.706 121 Q HN 0.520 nan 8.270 nan 0.000 0.525 122 W N 0.449 121.464 121.300 -0.475 0.000 2.321 122 W HA -0.315 4.345 4.660 -0.000 0.000 0.285 122 W C 0.691 177.021 176.519 -0.315 0.000 1.213 122 W CA 1.035 58.191 57.345 -0.314 0.000 1.205 122 W CB -1.102 28.276 29.460 -0.136 0.000 1.134 122 W HN 0.533 nan 8.180 nan 0.000 0.549 123 Y N -0.721 118.992 120.300 -0.979 0.000 2.457 123 Y HA 0.189 4.739 4.550 -0.000 0.000 0.292 123 Y C 2.424 178.140 175.900 -0.306 0.000 1.125 123 Y CA 0.623 58.245 58.100 -0.796 0.000 1.254 123 Y CB -1.371 36.410 38.460 -1.132 0.000 1.012 123 Y HN -0.120 nan 8.280 nan 0.000 0.555 124 L N -0.658 120.199 121.223 -0.610 0.000 2.127 124 L HA 0.104 4.444 4.340 -0.000 0.000 0.203 124 L C 0.735 177.481 176.870 -0.207 0.000 1.080 124 L CA 0.895 55.569 54.840 -0.278 0.000 0.768 124 L CB 0.014 41.984 42.059 -0.148 0.000 0.924 124 L HN 0.214 nan 8.230 nan 0.000 0.444 125 S N -1.271 114.272 115.700 -0.261 0.000 2.543 125 S HA 0.685 5.155 4.470 -0.000 0.000 0.273 125 S C -0.777 173.740 174.600 -0.138 0.000 1.152 125 S CA -0.253 57.867 58.200 -0.134 0.000 0.910 125 S CB 1.772 64.969 63.200 -0.004 0.000 1.105 125 S HN 0.239 nan 8.310 nan 0.000 0.465 126 G N 1.222 109.999 108.800 -0.039 0.000 2.684 126 G HA2 0.522 4.482 3.960 -0.000 0.000 0.290 126 G HA3 0.522 4.482 3.960 -0.000 0.000 0.290 126 G C 0.604 175.513 174.900 0.015 0.000 1.425 126 G CA 0.008 45.104 45.100 -0.007 0.000 0.822 126 G HN 1.097 nan 8.290 nan 0.000 0.482 127 V N 0.272 120.195 119.914 0.015 0.000 2.282 127 V HA -0.036 4.083 4.120 -0.000 0.000 0.249 127 V C 1.794 177.899 176.094 0.020 0.000 1.057 127 V CA 2.850 65.160 62.300 0.017 0.000 1.032 127 V CB -0.838 30.990 31.823 0.009 0.000 0.645 127 V HN 1.027 nan 8.190 nan 0.000 0.447 128 T N 0.028 114.593 114.554 0.018 0.000 2.899 128 T HA 0.237 4.587 4.350 -0.000 0.000 0.295 128 T C 0.520 175.249 174.700 0.048 0.000 1.033 128 T CA 0.126 62.237 62.100 0.018 0.000 1.084 128 T CB 1.090 69.957 68.868 -0.001 0.000 0.979 128 T HN 0.700 nan 8.240 nan 0.000 0.532 129 Q N -0.152 119.688 119.800 0.067 0.000 2.259 129 Q HA 0.188 4.528 4.340 -0.000 0.000 0.228 129 Q C -0.083 176.021 176.000 0.172 0.000 0.909 129 Q CA -0.335 55.531 55.803 0.105 0.000 0.948 129 Q CB -0.093 28.713 28.738 0.112 0.000 1.041 129 Q HN 0.307 nan 8.270 nan 0.000 0.445 130 R N 2.305 122.901 120.500 0.159 0.000 3.570 130 R HA 0.233 4.573 4.340 -0.000 0.000 0.233 130 R C -1.460 174.974 176.300 0.225 0.000 1.492 130 R CA -0.124 56.128 56.100 0.252 0.000 1.504 130 R CB -0.012 30.386 30.300 0.164 0.000 1.314 130 R HN 0.667 nan 8.270 nan 0.000 0.687 131 D N -2.458 118.126 120.400 0.308 0.000 2.677 131 D HA 0.115 4.755 4.640 -0.000 0.000 0.298 131 D C 0.267 176.734 176.300 0.278 0.000 1.250 131 D CA -0.861 53.296 54.000 0.262 0.000 0.888 131 D CB 0.497 41.335 40.800 0.064 0.000 1.397 131 D HN 0.002 nan 8.370 nan 0.000 0.461 132 L N -0.537 120.792 121.223 0.177 0.000 2.610 132 L HA 0.151 4.491 4.340 -0.000 0.000 0.232 132 L C 0.443 177.298 176.870 -0.025 0.000 1.149 132 L CA 0.185 55.071 54.840 0.076 0.000 0.872 132 L CB -1.131 40.963 42.059 0.059 0.000 0.992 132 L HN 0.588 nan 8.230 nan 0.000 0.447 133 N N -0.144 118.534 118.700 -0.036 0.000 2.725 133 N HA -0.176 4.564 4.740 -0.000 0.000 0.251 133 N C 0.788 176.184 175.510 -0.189 0.000 1.031 133 N CA 0.780 53.779 53.050 -0.085 0.000 0.720 133 N CB -0.869 37.591 38.487 -0.046 0.000 0.930 133 N HN 0.285 nan 8.380 nan 0.000 0.543 134 V N -2.567 117.151 119.914 -0.326 0.000 2.535 134 V HA 0.029 4.148 4.120 -0.000 0.000 0.246 134 V C 2.210 177.783 176.094 -0.868 0.000 1.045 134 V CA 1.775 63.704 62.300 -0.619 0.000 1.058 134 V CB -0.468 30.854 31.823 -0.835 0.000 0.689 134 V HN 0.377 nan 8.190 nan 0.000 0.461 135 K N 0.566 120.582 120.400 -0.639 0.000 2.113 135 K HA -0.287 4.033 4.320 -0.000 0.000 0.208 135 K C 2.317 178.820 176.600 -0.162 0.000 1.047 135 K CA 2.269 58.391 56.287 -0.275 0.000 0.928 135 K CB -0.236 32.287 32.500 0.038 0.000 0.716 135 K HN 0.734 nan 8.250 nan 0.000 0.446 136 E N -0.576 119.534 120.200 -0.150 0.000 2.204 136 E HA -0.172 4.178 4.350 -0.000 0.000 0.194 136 E C 1.623 178.173 176.600 -0.083 0.000 0.989 136 E CA 0.872 57.221 56.400 -0.084 0.000 0.824 136 E CB 0.011 29.680 29.700 -0.053 0.000 0.756 136 E HN 0.414 nan 8.360 nan 0.000 0.477 137 A N 0.567 123.310 122.820 -0.129 0.000 1.898 137 A HA -0.123 4.197 4.320 -0.000 0.000 0.214 137 A C 1.699 179.325 177.584 0.070 0.000 1.183 137 A CA 0.777 52.815 52.037 0.001 0.000 0.622 137 A CB -0.772 18.198 19.000 -0.050 0.000 0.824 137 A HN 0.400 nan 8.150 nan 0.000 0.444 138 W N -0.012 121.181 121.300 -0.179 0.000 2.335 138 W HA -0.103 4.557 4.660 -0.000 0.000 0.311 138 W C 2.795 178.904 176.519 -0.683 0.000 1.213 138 W CA 0.838 57.959 57.345 -0.372 0.000 1.274 138 W CB -1.345 27.907 29.460 -0.347 0.000 1.148 138 W HN 0.433 nan 8.180 nan 0.000 0.498 139 A N 0.290 122.783 122.820 -0.545 0.000 1.940 139 A HA -0.240 4.079 4.320 -0.000 0.000 0.219 139 A C 1.878 179.324 177.584 -0.230 0.000 1.176 139 A CA 1.702 53.428 52.037 -0.519 0.000 0.631 139 A CB -0.916 17.959 19.000 -0.208 0.000 0.814 139 A HN 0.462 nan 8.150 nan 0.000 0.446 140 Q N -1.551 118.149 119.800 -0.166 0.000 2.482 140 Q HA 0.220 4.560 4.340 -0.000 0.000 0.209 140 Q C 1.043 176.745 176.000 -0.497 0.000 0.961 140 Q CA 0.375 56.064 55.803 -0.190 0.000 0.945 140 Q CB -0.076 28.664 28.738 0.003 0.000 1.012 140 Q HN 0.927 nan 8.270 nan 0.000 0.515 141 G N 0.531 109.087 108.800 -0.406 0.000 2.141 141 G HA2 -0.236 3.724 3.960 -0.000 0.000 0.231 141 G HA3 -0.236 3.724 3.960 -0.000 0.000 0.231 141 G C -0.395 174.193 174.900 -0.520 0.000 0.984 141 G CA -0.457 44.374 45.100 -0.447 0.000 0.660 141 G HN 0.241 nan 8.290 nan 0.000 0.525 142 F N 1.647 121.607 119.950 0.016 0.000 2.361 142 F HA 0.598 5.124 4.527 -0.000 0.000 0.364 142 F C 1.186 177.005 175.800 0.031 0.000 1.117 142 F CA -0.198 57.813 58.000 0.019 0.000 1.071 142 F CB 1.915 40.913 39.000 -0.003 0.000 1.188 142 F HN 0.127 nan 8.300 nan 0.000 0.464 143 T N -2.015 112.581 114.554 0.070 0.000 3.144 143 T HA 0.444 4.794 4.350 -0.000 0.000 0.290 143 T C 1.109 175.649 174.700 -0.267 0.000 0.966 143 T CA 0.175 62.113 62.100 -0.270 0.000 0.907 143 T CB 0.332 68.770 68.868 -0.717 0.000 1.152 143 T HN 0.949 nan 8.240 nan 0.000 0.532 144 G N 1.398 110.150 108.800 -0.080 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 -0.060 174.794 174.900 -0.076 0.000 0.995 144 G CA -0.415 44.633 45.100 -0.087 0.000 0.651 144 G HN 0.677 nan 8.290 nan 0.000 0.511 145 H N 0.433 119.493 119.070 -0.016 0.000 3.140 145 H HA 0.289 4.844 4.556 -0.000 0.000 0.316 145 H C 1.704 177.027 175.328 -0.009 0.000 0.986 145 H CA 2.241 58.286 56.048 -0.004 0.000 1.397 145 H CB 0.598 30.363 29.762 0.004 0.000 1.377 145 H HN 1.364 nan 8.280 nan 0.000 0.585 146 G N 3.403 112.278 108.800 0.126 0.000 2.184 146 G HA2 -0.247 3.713 3.960 -0.000 0.000 0.264 146 G HA3 -0.247 3.713 3.960 -0.000 0.000 0.264 146 G C 0.230 175.144 174.900 0.024 0.000 0.975 146 G CA 0.167 45.310 45.100 0.072 0.000 0.642 146 G HN 0.484 nan 8.290 nan 0.000 0.536 147 I N 0.986 121.546 120.570 -0.017 0.000 2.392 147 I HA 0.558 4.728 4.170 -0.000 0.000 0.295 147 I C 0.435 176.602 176.117 0.085 0.000 0.985 147 I CA -1.264 60.007 61.300 -0.049 0.000 1.221 147 I CB 1.552 39.474 38.000 -0.130 0.000 1.366 147 I HN -0.119 nan 8.210 nan 0.000 0.467 148 V N 6.784 126.870 119.914 0.288 0.000 2.384 148 V HA 0.486 4.606 4.120 -0.000 0.000 0.287 148 V C 0.015 176.056 176.094 -0.087 0.000 1.020 148 V CA -0.659 61.613 62.300 -0.045 0.000 0.850 148 V CB 2.181 33.756 31.823 -0.413 0.000 0.987 148 V HN 0.454 nan 8.190 nan 0.000 0.436 149 V N 3.475 123.330 119.914 -0.097 0.000 2.604 149 V HA 0.623 4.743 4.120 -0.000 0.000 0.305 149 V C -0.055 175.971 176.094 -0.114 0.000 1.043 149 V CA -0.350 61.883 62.300 -0.111 0.000 0.888 149 V CB 2.146 33.942 31.823 -0.046 0.000 0.995 149 V HN 0.829 nan 8.190 nan 0.000 0.429 150 S N 4.352 119.960 115.700 -0.152 0.000 2.502 150 S HA 0.674 5.144 4.470 -0.000 0.000 0.304 150 S C -0.823 173.802 174.600 0.042 0.000 1.097 150 S CA -0.606 57.558 58.200 -0.060 0.000 1.045 150 S CB 0.844 63.982 63.200 -0.104 0.000 1.019 150 S HN 0.484 nan 8.310 nan 0.000 0.481 151 I N 5.588 126.205 120.570 0.079 0.000 2.297 151 I HA 0.283 4.453 4.170 -0.000 0.000 0.291 151 I C -0.311 175.900 176.117 0.158 0.000 1.033 151 I CA -0.379 60.982 61.300 0.103 0.000 1.253 151 I CB 0.823 38.871 38.000 0.080 0.000 1.396 151 I HN 0.582 nan 8.210 nan 0.000 0.476 152 L N 6.455 127.805 121.223 0.212 0.000 2.312 152 L HA 0.361 4.701 4.340 -0.000 0.000 0.287 152 L C 0.341 177.398 176.870 0.310 0.000 1.091 152 L CA 0.258 55.270 54.840 0.287 0.000 0.846 152 L CB 0.518 42.827 42.059 0.417 0.000 1.219 152 L HN 0.637 nan 8.230 nan 0.000 0.439 153 D N 0.913 121.401 120.400 0.146 0.000 4.378 153 D HA 0.004 4.644 4.640 -0.000 0.000 0.318 153 D C -0.566 175.721 176.300 -0.021 0.000 1.651 153 D CA -0.142 53.912 54.000 0.091 0.000 0.976 153 D CB 0.953 41.873 40.800 0.201 0.000 1.451 153 D HN 0.537 nan 8.370 nan 0.000 0.665 154 D N 0.184 120.586 120.400 0.004 0.000 2.358 154 D HA 0.420 5.060 4.640 -0.000 0.000 0.224 154 D C 0.837 177.115 176.300 -0.036 0.000 1.123 154 D CA 0.284 54.259 54.000 -0.042 0.000 0.833 154 D CB 0.477 41.248 40.800 -0.047 0.000 0.946 154 D HN 0.700 nan 8.370 nan 0.000 0.505 155 G N -0.252 108.546 108.800 -0.003 0.000 2.440 155 G HA2 0.052 4.011 3.960 -0.000 0.000 0.684 155 G HA3 0.052 4.011 3.960 -0.000 0.000 0.684 155 G C -1.589 173.313 174.900 0.003 0.000 1.309 155 G CA -0.586 44.510 45.100 -0.006 0.000 0.931 155 G HN 0.425 nan 8.290 nan 0.000 0.612 156 I N -0.302 120.276 120.570 0.013 0.000 2.569 156 I HA 0.572 4.742 4.170 -0.000 0.000 0.290 156 I C 0.107 176.217 176.117 -0.013 0.000 1.088 156 I CA -0.813 60.499 61.300 0.019 0.000 1.047 156 I CB 1.806 39.860 38.000 0.090 0.000 1.237 156 I HN 0.711 nan 8.210 nan 0.000 0.421 157 E N 7.332 127.533 120.200 0.002 0.000 1.775 157 E HA 0.024 4.373 4.350 -0.000 0.000 0.266 157 E C 0.995 177.579 176.600 -0.027 0.000 1.191 157 E CA -0.160 56.264 56.400 0.040 0.000 1.048 157 E CB 0.470 30.259 29.700 0.147 0.000 1.081 157 E HN 0.617 nan 8.360 nan 0.000 0.434 158 K N 2.080 122.354 120.400 -0.209 0.000 2.281 158 K HA -0.162 4.158 4.320 -0.000 0.000 0.203 158 K C 0.484 176.895 176.600 -0.316 0.000 1.046 158 K CA 1.275 57.237 56.287 -0.542 0.000 0.938 158 K CB 0.031 31.739 32.500 -1.321 0.000 0.737 158 K HN 0.157 nan 8.250 nan 0.000 0.458 159 N N 0.780 119.395 118.700 -0.142 0.000 2.279 159 N HA 0.008 4.747 4.740 -0.000 0.000 0.226 159 N C -0.888 174.623 175.510 0.002 0.000 1.126 159 N CA -0.190 52.819 53.050 -0.068 0.000 0.846 159 N CB 0.148 38.591 38.487 -0.073 0.000 1.050 159 N HN 0.261 nan 8.380 nan 0.000 0.502 160 H N 1.961 121.006 119.070 -0.043 0.000 2.886 160 H HA 0.049 4.605 4.556 -0.000 0.000 0.329 160 H C -1.411 173.913 175.328 -0.006 0.000 1.044 160 H CA -1.140 54.901 56.048 -0.011 0.000 1.456 160 H CB 1.284 31.047 29.762 0.000 0.000 1.464 160 H HN 0.106 nan 8.280 nan 0.000 0.573 161 P HA -0.159 nan 4.420 nan 0.000 0.220 161 P C 0.567 177.975 177.300 0.181 0.000 1.144 161 P CA 1.250 64.381 63.100 0.052 0.000 0.800 161 P CB 0.470 32.137 31.700 -0.055 0.000 0.772 162 D N -1.885 118.768 120.400 0.421 0.000 2.395 162 D HA 0.174 4.814 4.640 -0.000 0.000 0.213 162 D C 1.549 177.906 176.300 0.096 0.000 1.110 162 D CA 0.132 54.246 54.000 0.190 0.000 0.835 162 D CB 0.019 40.903 40.800 0.139 0.000 0.965 162 D HN 0.122 nan 8.370 nan 0.000 0.505 163 L N -1.016 120.286 121.223 0.131 0.000 2.730 163 L HA 0.349 4.689 4.340 -0.000 0.000 0.236 163 L C 2.277 179.225 176.870 0.130 0.000 1.061 163 L CA 0.395 55.290 54.840 0.092 0.000 0.898 163 L CB -0.161 41.935 42.059 0.061 0.000 1.270 163 L HN -0.094 nan 8.230 nan 0.000 0.500 164 A N 1.146 124.037 122.820 0.117 0.000 1.915 164 A HA -0.245 4.075 4.320 -0.000 0.000 0.220 164 A C 2.261 179.924 177.584 0.132 0.000 1.198 164 A CA 2.328 54.430 52.037 0.109 0.000 0.647 164 A CB -1.379 17.658 19.000 0.061 0.000 0.825 164 A HN 0.445 nan 8.150 nan 0.000 0.456 165 G N -0.895 107.962 108.800 0.095 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 1.183 176.134 174.900 0.085 0.000 1.130 165 G CA 1.162 46.308 45.100 0.077 0.000 0.760 165 G HN 0.571 nan 8.290 nan 0.000 0.557 166 N N -1.224 117.536 118.700 0.100 0.000 2.205 166 N HA 0.095 4.835 4.740 -0.000 0.000 0.201 166 N C -0.188 175.386 175.510 0.107 0.000 1.128 166 N CA -0.579 52.520 53.050 0.082 0.000 0.867 166 N CB 0.249 38.771 38.487 0.058 0.000 0.996 166 N HN 0.365 nan 8.380 nan 0.000 0.503 167 Y N 2.336 122.658 120.300 0.036 0.000 2.712 167 Y HA 0.053 4.602 4.550 -0.000 0.000 0.333 167 Y C -0.098 175.831 175.900 0.048 0.000 1.225 167 Y CA 0.025 58.149 58.100 0.040 0.000 1.499 167 Y CB 0.403 38.888 38.460 0.041 0.000 1.288 167 Y HN -0.087 nan 8.280 nan 0.000 0.575 168 D N 7.820 127.723 120.400 -0.829 0.000 2.473 168 D HA 0.321 4.961 4.640 -0.000 0.000 0.253 168 D C -2.353 173.468 176.300 -0.798 0.000 1.233 168 D CA -2.475 51.181 54.000 -0.573 0.000 0.908 168 D CB 1.986 42.676 40.800 -0.183 0.000 1.170 168 D HN 0.262 nan 8.370 nan 0.000 0.558 169 P HA 0.016 nan 4.420 nan 0.000 0.219 169 P C 1.290 178.514 177.300 -0.127 0.000 1.146 169 P CA 0.838 63.778 63.100 -0.268 0.000 0.808 169 P CB 0.362 32.039 31.700 -0.037 0.000 0.779 170 G N -0.380 108.327 108.800 -0.154 0.000 2.534 170 G HA2 -0.040 3.919 3.960 -0.000 0.000 0.217 170 G HA3 -0.040 3.919 3.960 -0.000 0.000 0.217 170 G C 1.210 176.112 174.900 0.002 0.000 1.128 170 G CA 0.617 45.612 45.100 -0.175 0.000 0.784 170 G HN 0.358 nan 8.290 nan 0.000 0.542 171 A N -0.233 122.606 122.820 0.032 0.000 2.500 171 A HA 0.676 4.996 4.320 -0.000 0.000 0.267 171 A C 0.687 178.304 177.584 0.055 0.000 1.290 171 A CA -0.043 52.027 52.037 0.056 0.000 0.928 171 A CB 0.365 19.355 19.000 -0.017 0.000 1.066 171 A HN 0.152 nan 8.150 nan 0.000 0.516 172 S N -1.190 114.559 115.700 0.081 0.000 2.599 172 S HA 0.885 5.355 4.470 -0.000 0.000 0.294 172 S C -1.166 173.605 174.600 0.285 0.000 1.094 172 S CA -0.409 57.891 58.200 0.166 0.000 0.931 172 S CB 1.697 65.008 63.200 0.184 0.000 1.093 172 S HN 0.453 nan 8.310 nan 0.000 0.488 173 F N 1.040 121.040 119.950 0.083 0.000 2.765 173 F HA 0.278 4.805 4.527 -0.000 0.000 0.313 173 F C -2.130 173.702 175.800 0.055 0.000 1.136 173 F CA -0.592 57.447 58.000 0.064 0.000 0.952 173 F CB 1.314 40.346 39.000 0.054 0.000 1.268 173 F HN 0.540 nan 8.300 nan 0.000 0.441 174 D N 3.268 123.449 120.400 -0.364 0.000 2.472 174 D HA 0.368 5.008 4.640 -0.000 0.000 0.234 174 D C 0.377 176.730 176.300 0.089 0.000 1.088 174 D CA -0.036 53.896 54.000 -0.114 0.000 0.882 174 D CB 1.524 42.199 40.800 -0.208 0.000 1.037 174 D HN 0.284 nan 8.370 nan 0.000 0.520 175 V N 3.797 123.873 119.914 0.270 0.000 2.719 175 V HA -0.119 4.001 4.120 -0.000 0.000 0.252 175 V C 2.011 178.174 176.094 0.115 0.000 1.065 175 V CA 1.183 63.643 62.300 0.267 0.000 1.086 175 V CB -0.608 31.316 31.823 0.169 0.000 0.700 175 V HN 0.544 nan 8.190 nan 0.000 0.467 176 N N 0.159 118.888 118.700 0.048 0.000 2.188 176 N HA -0.131 4.609 4.740 -0.000 0.000 0.184 176 N C 0.917 176.432 175.510 0.009 0.000 1.018 176 N CA 1.276 54.329 53.050 0.006 0.000 0.858 176 N CB 0.056 38.528 38.487 -0.025 0.000 0.989 176 N HN 0.423 nan 8.380 nan 0.000 0.426 177 D N 0.424 120.826 120.400 0.003 0.000 2.462 177 D HA 0.058 4.697 4.640 -0.000 0.000 0.221 177 D C -0.465 175.837 176.300 0.005 0.000 1.173 177 D CA 0.087 54.082 54.000 -0.008 0.000 0.831 177 D CB 0.481 41.261 40.800 -0.034 0.000 1.001 177 D HN 0.123 nan 8.370 nan 0.000 0.499 178 Q N 1.537 121.380 119.800 0.071 0.000 2.437 178 Q HA -0.188 4.152 4.340 -0.000 0.000 0.354 178 Q C -0.525 175.492 176.000 0.028 0.000 1.402 178 Q CA 0.945 56.846 55.803 0.163 0.000 1.020 178 Q CB -0.981 27.834 28.738 0.128 0.000 1.220 178 Q HN 0.358 nan 8.270 nan 0.000 0.368 179 D N -1.301 118.933 120.400 -0.276 0.000 2.661 179 D HA 0.260 4.900 4.640 -0.000 0.000 0.228 179 D C -2.513 173.167 176.300 -1.034 0.000 1.210 179 D CA -2.009 51.739 54.000 -0.420 0.000 0.826 179 D CB 2.128 42.794 40.800 -0.223 0.000 1.542 179 D HN -0.239 nan 8.370 nan 0.000 0.447 180 P HA 0.053 nan 4.420 nan 0.000 0.225 180 P C -0.226 176.880 177.300 -0.324 0.000 1.156 180 P CA 0.445 63.169 63.100 -0.627 0.000 0.787 180 P CB 0.247 31.853 31.700 -0.157 0.000 0.802 181 D N 0.699 120.960 120.400 -0.231 0.000 2.325 181 D HA 0.049 4.688 4.640 -0.000 0.000 0.251 181 D C -1.594 174.649 176.300 -0.095 0.000 1.196 181 D CA -2.251 51.689 54.000 -0.100 0.000 0.866 181 D CB 0.681 41.438 40.800 -0.071 0.000 1.101 181 D HN 0.139 nan 8.370 nan 0.000 0.476 182 P HA 0.011 nan 4.420 nan 0.000 0.257 182 P C 0.106 177.401 177.300 -0.009 0.000 1.325 182 P CA -0.188 62.915 63.100 0.005 0.000 0.850 182 P CB 0.287 32.044 31.700 0.094 0.000 1.324 183 Q N 3.048 122.835 119.800 -0.022 0.000 2.283 183 Q HA 0.085 4.425 4.340 -0.000 0.000 0.301 183 Q C -1.974 174.005 176.000 -0.035 0.000 1.063 183 Q CA -1.126 54.673 55.803 -0.006 0.000 0.952 183 Q CB -0.034 28.726 28.738 0.036 0.000 1.166 183 Q HN 0.226 nan 8.270 nan 0.000 0.381 184 P HA 0.080 nan 4.420 nan 0.000 0.274 184 P C -1.161 175.963 177.300 -0.293 0.000 1.237 184 P CA -0.278 62.687 63.100 -0.225 0.000 0.793 184 P CB 0.654 32.157 31.700 -0.328 0.000 0.977 185 R N 1.874 122.243 120.500 -0.218 0.000 2.248 185 R HA 0.215 4.555 4.340 -0.000 0.000 0.328 185 R C -0.599 175.585 176.300 -0.192 0.000 1.067 185 R CA -0.331 55.702 56.100 -0.111 0.000 0.924 185 R CB -0.265 30.001 30.300 -0.057 0.000 1.013 185 R HN 0.368 nan 8.270 nan 0.000 0.454 186 Y N 2.936 123.229 120.300 -0.011 0.000 2.335 186 Y HA 0.185 4.735 4.550 -0.000 0.000 0.331 186 Y C 0.785 176.682 175.900 -0.006 0.000 1.094 186 Y CA 0.118 58.214 58.100 -0.007 0.000 1.253 186 Y CB 1.560 40.014 38.460 -0.010 0.000 1.203 186 Y HN 0.602 nan 8.280 nan 0.000 0.508 187 T N -0.993 113.619 114.554 0.098 0.000 2.906 187 T HA 0.216 4.566 4.350 -0.000 0.000 0.295 187 T C 0.513 175.253 174.700 0.066 0.000 1.075 187 T CA -1.015 61.123 62.100 0.063 0.000 1.005 187 T CB 1.845 70.726 68.868 0.022 0.000 1.136 187 T HN 0.441 nan 8.240 nan 0.000 0.498 188 Q N 0.476 120.306 119.800 0.050 0.000 2.226 188 Q HA 0.091 4.431 4.340 -0.000 0.000 0.204 188 Q C 1.574 177.598 176.000 0.039 0.000 0.975 188 Q CA 1.446 57.276 55.803 0.045 0.000 0.866 188 Q CB -0.300 28.457 28.738 0.032 0.000 0.915 188 Q HN 0.746 nan 8.270 nan 0.000 0.440 189 M N -0.159 119.460 119.600 0.032 0.000 2.505 189 M HA 0.050 4.530 4.480 -0.000 0.000 0.230 189 M C -0.577 175.741 176.300 0.029 0.000 1.153 189 M CA -0.006 55.312 55.300 0.029 0.000 0.997 189 M CB -0.103 32.511 32.600 0.023 0.000 1.606 189 M HN 0.195 nan 8.290 nan 0.000 0.481 190 N N 1.282 120.000 118.700 0.030 0.000 2.727 190 N HA -0.200 4.540 4.740 -0.000 0.000 0.249 190 N C -0.119 175.392 175.510 0.000 0.000 1.048 190 N CA 0.202 53.263 53.050 0.018 0.000 0.714 190 N CB -0.757 37.750 38.487 0.034 0.000 0.959 190 N HN 0.478 nan 8.380 nan 0.000 0.544 191 D N 0.390 120.786 120.400 -0.007 0.000 2.182 191 D HA -0.119 4.521 4.640 -0.000 0.000 0.201 191 D C 0.611 176.898 176.300 -0.022 0.000 0.986 191 D CA 1.092 55.086 54.000 -0.009 0.000 0.847 191 D CB -0.048 40.742 40.800 -0.016 0.000 0.942 191 D HN 0.484 nan 8.370 nan 0.000 0.467 192 N N 1.071 119.734 118.700 -0.062 0.000 2.558 192 N HA 0.039 4.779 4.740 -0.000 0.000 0.281 192 N C 1.143 176.600 175.510 -0.088 0.000 1.219 192 N CA -0.027 52.974 53.050 -0.081 0.000 0.942 192 N CB 0.545 38.950 38.487 -0.137 0.000 1.241 192 N HN 0.423 nan 8.380 nan 0.000 0.511 193 R N -0.935 119.545 120.500 -0.033 0.000 2.312 193 R HA 0.127 4.467 4.340 -0.000 0.000 0.205 193 R C 1.418 177.703 176.300 -0.025 0.000 0.904 193 R CA -0.036 56.039 56.100 -0.042 0.000 1.052 193 R CB -0.351 29.932 30.300 -0.028 0.000 1.014 193 R HN 0.226 nan 8.270 nan 0.000 0.503 194 H N 1.419 120.455 119.070 -0.058 0.000 2.289 194 H HA -0.108 4.448 4.556 -0.000 0.000 0.296 194 H C 1.912 177.223 175.328 -0.029 0.000 1.091 194 H CA 2.544 58.578 56.048 -0.024 0.000 1.274 194 H CB -0.082 29.689 29.762 0.015 0.000 1.364 194 H HN 0.442 nan 8.280 nan 0.000 0.490 195 G N -0.789 108.060 108.800 0.083 0.000 2.418 195 G HA2 -0.255 3.705 3.960 -0.000 0.000 0.217 195 G HA3 -0.255 3.705 3.960 -0.000 0.000 0.217 195 G C 1.825 176.707 174.900 -0.030 0.000 1.158 195 G CA 1.321 46.445 45.100 0.040 0.000 0.771 195 G HN 0.392 nan 8.290 nan 0.000 0.545 196 T N 0.580 115.099 114.554 -0.058 0.000 2.746 196 T HA -0.086 4.264 4.350 -0.000 0.000 0.267 196 T C 2.490 177.099 174.700 -0.152 0.000 1.039 196 T CA 1.142 63.192 62.100 -0.083 0.000 1.142 196 T CB -0.148 68.683 68.868 -0.062 0.000 0.866 196 T HN 0.262 nan 8.240 nan 0.000 0.444 197 R N 0.141 120.500 120.500 -0.235 0.000 2.081 197 R HA -0.059 4.280 4.340 -0.000 0.000 0.235 197 R C 2.742 178.884 176.300 -0.263 0.000 1.131 197 R CA 1.409 57.273 56.100 -0.393 0.000 0.960 197 R CB -0.771 29.015 30.300 -0.857 0.000 0.856 197 R HN 0.396 nan 8.270 nan 0.000 0.436 198 C N 0.005 119.205 119.300 -0.166 0.000 2.440 198 C HA 0.018 4.477 4.460 -0.000 0.000 0.278 198 C C 2.931 177.909 174.990 -0.019 0.000 1.295 198 C CA 0.521 59.516 59.018 -0.039 0.000 1.738 198 C CB -0.894 26.832 27.740 -0.023 0.000 1.987 198 C HN 0.577 nan 8.230 nan 0.000 0.492 199 A N 1.169 123.972 122.820 -0.029 0.000 1.865 199 A HA 0.004 4.324 4.320 -0.000 0.000 0.217 199 A C 2.440 180.018 177.584 -0.009 0.000 1.191 199 A CA 2.187 54.222 52.037 -0.004 0.000 0.623 199 A CB -1.389 17.613 19.000 0.004 0.000 0.826 199 A HN 0.535 nan 8.150 nan 0.000 0.444 200 G N -0.381 108.388 108.800 -0.053 0.000 2.450 200 G HA2 -0.225 3.734 3.960 -0.000 0.000 0.220 200 G HA3 -0.225 3.734 3.960 -0.000 0.000 0.220 200 G C 1.358 176.278 174.900 0.033 0.000 1.130 200 G CA 1.056 46.130 45.100 -0.042 0.000 0.760 200 G HN 0.715 nan 8.290 nan 0.000 0.557 201 E N -0.111 120.115 120.200 0.043 0.000 2.208 201 E HA -0.020 4.330 4.350 -0.000 0.000 0.193 201 E C 2.583 179.246 176.600 0.104 0.000 0.988 201 E CA 0.636 57.093 56.400 0.094 0.000 0.828 201 E CB 0.031 29.774 29.700 0.072 0.000 0.763 201 E HN 0.378 nan 8.360 nan 0.000 0.478 202 V N 0.658 120.614 119.914 0.070 0.000 2.331 202 V HA -0.010 4.110 4.120 -0.000 0.000 0.242 202 V C 1.409 177.553 176.094 0.083 0.000 1.034 202 V CA 1.575 63.916 62.300 0.068 0.000 1.027 202 V CB 0.082 31.927 31.823 0.037 0.000 0.667 202 V HN 0.270 nan 8.190 nan 0.000 0.457 203 A N -0.461 122.402 122.820 0.071 0.000 2.992 203 A HA 0.753 5.073 4.320 -0.000 0.000 0.263 203 A C 0.343 177.971 177.584 0.074 0.000 0.928 203 A CA 0.224 52.306 52.037 0.075 0.000 1.061 203 A CB -0.182 18.846 19.000 0.046 0.000 1.173 203 A HN 0.433 nan 8.150 nan 0.000 0.482 204 A N 0.207 123.073 122.820 0.077 0.000 2.462 204 A HA 0.509 4.829 4.320 -0.000 0.000 0.243 204 A C 0.536 178.151 177.584 0.051 0.000 1.076 204 A CA 0.020 52.085 52.037 0.046 0.000 0.773 204 A CB 0.032 19.056 19.000 0.040 0.000 1.010 204 A HN 0.818 nan 8.150 nan 0.000 0.493 205 V N 1.800 121.730 119.914 0.026 0.000 2.763 205 V HA 0.318 4.438 4.120 -0.000 0.000 0.306 205 V C 1.040 177.073 176.094 -0.102 0.000 1.059 205 V CA 0.585 62.878 62.300 -0.011 0.000 1.138 205 V CB 0.452 32.274 31.823 -0.001 0.000 0.940 205 V HN 1.107 nan 8.190 nan 0.000 0.489 206 A N 4.095 126.770 122.820 -0.241 0.000 2.306 206 A HA 0.590 4.909 4.320 -0.000 0.000 0.330 206 A C 0.749 178.113 177.584 -0.365 0.000 1.146 206 A CA -0.597 51.151 52.037 -0.481 0.000 0.827 206 A CB 0.218 18.485 19.000 -1.221 0.000 1.178 206 A HN 0.997 nan 8.150 nan 0.000 0.490 207 N N 0.616 119.105 118.700 -0.353 0.000 2.727 207 N HA -0.171 4.569 4.740 -0.000 0.000 0.249 207 N C -0.065 175.355 175.510 -0.151 0.000 1.048 207 N CA 1.276 54.178 53.050 -0.247 0.000 0.714 207 N CB -0.848 37.478 38.487 -0.268 0.000 0.959 207 N HN 0.867 nan 8.380 nan 0.000 0.544 208 N N -1.417 117.214 118.700 -0.115 0.000 2.238 208 N HA 0.218 4.958 4.740 -0.000 0.000 0.235 208 N C 1.020 176.505 175.510 -0.043 0.000 1.209 208 N CA 0.498 53.508 53.050 -0.067 0.000 0.879 208 N CB 0.099 38.557 38.487 -0.047 0.000 1.136 208 N HN 0.311 nan 8.380 nan 0.000 0.517 209 G N -0.130 108.642 108.800 -0.048 0.000 2.187 209 G HA2 -0.248 3.712 3.960 -0.000 0.000 0.261 209 G HA3 -0.248 3.712 3.960 -0.000 0.000 0.261 209 G C -0.527 174.372 174.900 -0.002 0.000 1.000 209 G CA 0.757 45.843 45.100 -0.024 0.000 0.718 209 G HN 0.344 nan 8.290 nan 0.000 0.519 210 V N -0.560 119.357 119.914 0.004 0.000 2.588 210 V HA 0.634 4.753 4.120 -0.000 0.000 0.304 210 V C 1.538 177.663 176.094 0.052 0.000 1.042 210 V CA -0.350 61.970 62.300 0.034 0.000 0.877 210 V CB 0.762 32.614 31.823 0.048 0.000 0.996 210 V HN 1.162 nan 8.190 nan 0.000 0.425 211 c N 3.721 122.364 118.600 0.071 0.000 0.169 211 c HA -0.228 4.341 4.570 -0.000 0.000 0.017 211 c C 1.684 175.827 174.090 0.088 0.000 0.171 211 c CA 1.754 58.135 56.329 0.087 0.000 0.499 211 c CB -1.178 41.395 42.510 0.104 0.000 3.212 211 c HN 1.394 nan 8.230 nan 0.000 1.118 212 G N -1.050 107.811 108.800 0.100 0.000 3.175 212 G HA2 0.713 4.673 3.960 -0.000 0.000 0.153 212 G HA3 0.713 4.673 3.960 -0.000 0.000 0.153 212 G C -0.502 174.460 174.900 0.102 0.000 1.216 212 G CA 0.646 45.829 45.100 0.139 0.000 0.943 212 G HN 2.148 nan 8.290 nan 0.000 0.611 213 V N -2.852 117.162 119.914 0.167 0.000 3.114 213 V HA 0.915 5.035 4.120 -0.000 0.000 0.308 213 V C 0.189 176.431 176.094 0.246 0.000 1.168 213 V CA -0.157 62.216 62.300 0.121 0.000 1.015 213 V CB 1.404 33.207 31.823 -0.033 0.000 1.050 213 V HN 1.301 nan 8.190 nan 0.000 0.433 214 G N 0.376 109.324 108.800 0.246 0.000 2.477 214 G HA2 0.490 4.449 3.960 -0.000 0.000 0.304 214 G HA3 0.490 4.449 3.960 -0.000 0.000 0.304 214 G C 0.649 175.791 174.900 0.403 0.000 1.175 214 G CA -0.048 45.212 45.100 0.267 0.000 0.907 214 G HN 1.098 nan 8.290 nan 0.000 0.509 215 V N 0.964 121.086 119.914 0.347 0.000 2.332 215 V HA -0.075 4.045 4.120 -0.000 0.000 0.248 215 V C 2.167 178.491 176.094 0.383 0.000 1.055 215 V CA 2.269 64.811 62.300 0.404 0.000 1.038 215 V CB -0.581 31.365 31.823 0.205 0.000 0.651 215 V HN 0.810 nan 8.190 nan 0.000 0.450 216 A N -0.519 122.403 122.820 0.171 0.000 3.158 216 A HA 0.441 4.760 4.320 -0.000 0.000 0.319 216 A C 0.737 178.293 177.584 -0.048 0.000 1.204 216 A CA -0.548 51.495 52.037 0.009 0.000 0.992 216 A CB -0.572 18.428 19.000 0.000 0.000 1.110 216 A HN 0.602 nan 8.150 nan 0.000 0.519 217 Y N -0.745 119.535 120.300 -0.033 0.000 2.716 217 Y HA 0.018 4.567 4.550 -0.000 0.000 0.302 217 Y C 0.863 176.660 175.900 -0.171 0.000 1.160 217 Y CA 0.653 58.680 58.100 -0.120 0.000 1.362 217 Y CB -0.485 37.845 38.460 -0.217 0.000 0.988 217 Y HN 0.455 nan 8.280 nan 0.000 0.546 218 N N 0.370 118.958 118.700 -0.187 0.000 2.177 218 N HA 0.332 5.072 4.740 -0.000 0.000 0.218 218 N C 0.166 175.531 175.510 -0.241 0.000 1.182 218 N CA 0.461 53.337 53.050 -0.289 0.000 0.882 218 N CB 0.620 38.637 38.487 -0.783 0.000 1.052 218 N HN 0.396 nan 8.380 nan 0.000 0.519 219 A N 0.766 123.509 122.820 -0.130 0.000 2.272 219 A HA 0.511 4.831 4.320 -0.000 0.000 0.275 219 A C 0.397 177.962 177.584 -0.031 0.000 1.096 219 A CA -0.332 51.663 52.037 -0.070 0.000 0.822 219 A CB 0.869 19.841 19.000 -0.046 0.000 1.088 219 A HN 0.093 nan 8.150 nan 0.000 0.495 220 R N -0.382 120.106 120.500 -0.021 0.000 2.368 220 R HA 0.519 4.859 4.340 -0.000 0.000 0.302 220 R C -1.352 174.933 176.300 -0.026 0.000 1.002 220 R CA -0.496 55.594 56.100 -0.017 0.000 0.929 220 R CB 1.366 31.654 30.300 -0.020 0.000 1.073 220 R HN 0.568 nan 8.270 nan 0.000 0.464 221 I N 1.005 121.570 120.570 -0.008 0.000 2.509 221 I HA 0.522 4.692 4.170 -0.000 0.000 0.293 221 I C -0.295 175.821 176.117 -0.000 0.000 1.020 221 I CA -0.161 61.144 61.300 0.008 0.000 1.088 221 I CB 1.979 40.011 38.000 0.053 0.000 1.267 221 I HN 0.705 nan 8.210 nan 0.000 0.430 222 G N 3.826 112.625 108.800 -0.001 0.000 2.714 222 G HA2 0.807 4.767 3.960 -0.000 0.000 0.292 222 G HA3 0.807 4.767 3.960 -0.000 0.000 0.292 222 G C -1.194 173.771 174.900 0.110 0.000 1.308 222 G CA -0.715 44.395 45.100 0.016 0.000 0.964 222 G HN 0.901 nan 8.290 nan 0.000 0.484 223 G N -1.545 107.357 108.800 0.169 0.000 2.682 223 G HA2 0.559 4.519 3.960 -0.000 0.000 0.300 223 G HA3 0.559 4.519 3.960 -0.000 0.000 0.300 223 G C -1.661 173.336 174.900 0.161 0.000 1.391 223 G CA -0.394 44.798 45.100 0.155 0.000 0.990 223 G HN 0.849 nan 8.290 nan 0.000 0.501 224 V N 1.705 121.712 119.914 0.155 0.000 2.378 224 V HA 0.441 4.561 4.120 -0.000 0.000 0.288 224 V C 0.420 176.578 176.094 0.107 0.000 1.016 224 V CA -0.862 61.538 62.300 0.168 0.000 0.840 224 V CB 1.352 33.296 31.823 0.202 0.000 0.994 224 V HN 0.779 nan 8.190 nan 0.000 0.431 225 R N 5.173 125.720 120.500 0.078 0.000 2.272 225 R HA 0.389 4.729 4.340 -0.000 0.000 0.334 225 R C 0.434 176.736 176.300 0.003 0.000 1.117 225 R CA -0.138 55.972 56.100 0.018 0.000 0.966 225 R CB 0.336 30.631 30.300 -0.007 0.000 1.049 225 R HN 0.807 nan 8.270 nan 0.000 0.477 226 M N 2.695 122.261 119.600 -0.056 0.000 2.215 226 M HA 0.193 4.673 4.480 -0.000 0.000 0.391 226 M C -0.361 175.807 176.300 -0.221 0.000 0.914 226 M CA 0.364 55.599 55.300 -0.107 0.000 1.035 226 M CB 0.655 33.200 32.600 -0.091 0.000 1.944 226 M HN 0.384 nan 8.290 nan 0.000 0.656 227 L N -0.224 120.855 121.223 -0.239 0.000 2.590 227 L HA 0.292 4.632 4.340 -0.000 0.000 0.227 227 L C 0.447 177.209 176.870 -0.180 0.000 1.099 227 L CA 0.077 54.743 54.840 -0.290 0.000 0.872 227 L CB 0.204 42.055 42.059 -0.347 0.000 1.088 227 L HN 0.232 nan 8.230 nan 0.000 0.479 228 D N 1.439 121.762 120.400 -0.128 0.000 2.845 228 D HA 0.401 5.041 4.640 -0.000 0.000 0.235 228 D C 0.386 176.641 176.300 -0.076 0.000 1.158 228 D CA 0.414 54.358 54.000 -0.093 0.000 0.990 228 D CB -0.076 40.678 40.800 -0.078 0.000 1.094 228 D HN 0.316 nan 8.370 nan 0.000 0.486 229 G N 0.458 109.208 108.800 -0.083 0.000 2.344 229 G HA2 0.007 3.967 3.960 -0.000 0.000 0.282 229 G HA3 0.007 3.967 3.960 -0.000 0.000 0.282 229 G C -1.237 173.620 174.900 -0.071 0.000 1.281 229 G CA -0.937 44.125 45.100 -0.063 0.000 0.877 229 G HN 0.171 nan 8.290 nan 0.000 0.494 230 E N 0.006 120.174 120.200 -0.054 0.000 2.217 230 E HA 0.394 4.744 4.350 -0.000 0.000 0.279 230 E C -0.180 176.379 176.600 -0.068 0.000 1.068 230 E CA -0.384 55.986 56.400 -0.051 0.000 0.882 230 E CB 0.861 30.542 29.700 -0.031 0.000 1.039 230 E HN 0.270 nan 8.360 nan 0.000 0.418 231 V N 6.458 126.318 119.914 -0.090 0.000 2.223 231 V HA 0.047 4.167 4.120 -0.000 0.000 0.249 231 V C 0.734 176.790 176.094 -0.063 0.000 1.233 231 V CA -0.206 62.020 62.300 -0.123 0.000 1.131 231 V CB -0.375 31.318 31.823 -0.216 0.000 1.298 231 V HN 0.769 nan 8.190 nan 0.000 0.498 232 T N -0.756 113.774 114.554 -0.040 0.000 2.788 232 T HA 0.137 4.487 4.350 -0.000 0.000 0.287 232 T C 1.063 175.768 174.700 0.007 0.000 1.007 232 T CA -0.125 61.969 62.100 -0.009 0.000 1.005 232 T CB 1.231 70.094 68.868 -0.008 0.000 1.012 232 T HN 0.439 nan 8.240 nan 0.000 0.530 233 D N 0.770 121.184 120.400 0.024 0.000 2.104 233 D HA -0.100 4.540 4.640 -0.000 0.000 0.194 233 D C 2.302 178.608 176.300 0.010 0.000 0.994 233 D CA 1.868 55.888 54.000 0.034 0.000 0.830 233 D CB -0.709 40.108 40.800 0.029 0.000 0.959 233 D HN 0.717 nan 8.370 nan 0.000 0.452 234 A N -0.147 122.672 122.820 -0.001 0.000 1.978 234 A HA -0.117 4.203 4.320 -0.000 0.000 0.220 234 A C 2.569 180.143 177.584 -0.016 0.000 1.170 234 A CA 1.585 53.615 52.037 -0.012 0.000 0.636 234 A CB -0.741 18.253 19.000 -0.009 0.000 0.810 234 A HN 0.229 nan 8.150 nan 0.000 0.448 235 V N 0.105 120.010 119.914 -0.015 0.000 2.307 235 V HA -0.253 3.866 4.120 -0.000 0.000 0.245 235 V C 2.417 178.498 176.094 -0.022 0.000 1.045 235 V CA 2.252 64.538 62.300 -0.022 0.000 1.024 235 V CB -0.776 31.019 31.823 -0.046 0.000 0.651 235 V HN 0.654 nan 8.190 nan 0.000 0.449 236 E N 0.399 120.594 120.200 -0.009 0.000 2.077 236 E HA -0.183 4.167 4.350 -0.000 0.000 0.193 236 E C 2.318 178.908 176.600 -0.016 0.000 0.989 236 E CA 1.283 57.708 56.400 0.041 0.000 0.800 236 E CB -0.341 29.450 29.700 0.152 0.000 0.746 236 E HN 0.591 nan 8.360 nan 0.000 0.452 237 A N 1.640 124.431 122.820 -0.048 0.000 1.933 237 A HA -0.180 4.140 4.320 -0.000 0.000 0.218 237 A C 2.073 179.605 177.584 -0.086 0.000 1.175 237 A CA 1.204 53.182 52.037 -0.098 0.000 0.628 237 A CB -0.339 18.616 19.000 -0.075 0.000 0.814 237 A HN 0.079 nan 8.150 nan 0.000 0.444 238 R N -0.445 120.021 120.500 -0.057 0.000 2.115 238 R HA -0.007 4.333 4.340 -0.000 0.000 0.226 238 R C 2.389 178.665 176.300 -0.039 0.000 1.100 238 R CA 1.328 57.389 56.100 -0.065 0.000 0.980 238 R CB -0.268 29.991 30.300 -0.069 0.000 0.875 238 R HN 0.493 nan 8.270 nan 0.000 0.445 239 S N 1.344 117.044 115.700 0.000 0.000 2.357 239 S HA -0.018 4.452 4.470 -0.000 0.000 0.221 239 S C 1.972 176.604 174.600 0.054 0.000 1.031 239 S CA 0.886 59.129 58.200 0.071 0.000 0.982 239 S CB -0.115 63.148 63.200 0.106 0.000 0.853 239 S HN 0.166 nan 8.310 nan 0.000 0.458 240 L N 0.812 121.995 121.223 -0.066 0.000 2.191 240 L HA -0.012 4.328 4.340 -0.000 0.000 0.212 240 L C 2.084 178.794 176.870 -0.267 0.000 1.103 240 L CA 1.025 55.713 54.840 -0.253 0.000 0.769 240 L CB -0.471 41.283 42.059 -0.509 0.000 0.908 240 L HN 0.392 nan 8.230 nan 0.000 0.438 241 G N -0.566 108.160 108.800 -0.123 0.000 3.523 241 G HA2 0.233 4.193 3.960 -0.000 0.000 0.270 241 G HA3 0.233 4.193 3.960 -0.000 0.000 0.270 241 G C -0.064 174.853 174.900 0.028 0.000 1.134 241 G CA -0.350 44.719 45.100 -0.050 0.000 0.825 241 G HN 0.030 nan 8.290 nan 0.000 0.534 242 L N 0.467 121.758 121.223 0.113 0.000 2.369 242 L HA 0.397 4.736 4.340 -0.000 0.000 0.279 242 L C 0.112 177.097 176.870 0.191 0.000 1.108 242 L CA -0.326 54.587 54.840 0.123 0.000 0.852 242 L CB -0.157 41.998 42.059 0.159 0.000 1.169 242 L HN 0.252 nan 8.230 nan 0.000 0.452 243 N N 3.597 122.349 118.700 0.087 0.000 2.688 243 N HA -0.184 4.555 4.740 -0.000 0.000 0.258 243 N C -2.077 173.500 175.510 0.112 0.000 1.016 243 N CA 0.833 53.934 53.050 0.085 0.000 0.747 243 N CB -0.741 37.803 38.487 0.095 0.000 0.895 243 N HN 0.546 nan 8.380 nan 0.000 0.543 244 P HA -0.138 nan 4.420 nan 0.000 0.218 244 P C 0.613 177.936 177.300 0.037 0.000 1.146 244 P CA 1.164 64.331 63.100 0.112 0.000 0.813 244 P CB 0.208 31.947 31.700 0.065 0.000 0.778 245 N N -2.666 116.048 118.700 0.023 0.000 2.230 245 N HA -0.015 4.725 4.740 -0.000 0.000 0.202 245 N C 1.071 176.565 175.510 -0.027 0.000 1.119 245 N CA 0.364 53.413 53.050 -0.002 0.000 0.851 245 N CB -0.178 38.321 38.487 0.021 0.000 0.990 245 N HN 0.314 nan 8.380 nan 0.000 0.497 246 H N -0.405 118.568 119.070 -0.161 0.000 2.521 246 H HA 0.391 4.947 4.556 -0.000 0.000 0.267 246 H C 0.141 175.217 175.328 -0.419 0.000 0.963 246 H CA 0.158 56.070 56.048 -0.228 0.000 1.175 246 H CB 0.524 30.203 29.762 -0.137 0.000 1.450 246 H HN -0.106 nan 8.280 nan 0.000 0.472 247 I N 1.666 121.993 120.570 -0.405 0.000 2.371 247 I HA 0.087 4.257 4.170 -0.000 0.000 0.290 247 I C 0.487 176.254 176.117 -0.584 0.000 1.028 247 I CA 0.032 60.993 61.300 -0.565 0.000 1.345 247 I CB 1.342 38.991 38.000 -0.586 0.000 1.407 247 I HN 0.448 nan 8.210 nan 0.000 0.501 248 H N 5.297 124.182 119.070 -0.308 0.000 2.451 248 H HA 0.359 4.915 4.556 -0.000 0.000 0.294 248 H C -0.109 175.092 175.328 -0.211 0.000 1.028 248 H CA 0.551 56.477 56.048 -0.203 0.000 1.349 248 H CB 0.344 30.015 29.762 -0.151 0.000 1.444 248 H HN 0.379 nan 8.280 nan 0.000 0.538 249 I N 0.619 121.093 120.570 -0.160 0.000 2.498 249 I HA 0.212 4.382 4.170 -0.000 0.000 0.290 249 I C -1.372 174.608 176.117 -0.229 0.000 1.032 249 I CA -0.916 60.314 61.300 -0.117 0.000 1.073 249 I CB 2.025 40.007 38.000 -0.031 0.000 1.251 249 I HN 0.030 nan 8.210 nan 0.000 0.426 250 Y N 3.401 123.706 120.300 0.007 0.000 2.352 250 Y HA 0.464 5.014 4.550 -0.000 0.000 0.339 250 Y C 0.359 176.307 175.900 0.080 0.000 0.992 250 Y CA -0.616 57.541 58.100 0.094 0.000 1.100 250 Y CB 2.097 40.717 38.460 0.267 0.000 1.192 250 Y HN 0.408 nan 8.280 nan 0.000 0.458 251 S N 2.622 118.409 115.700 0.144 0.000 2.530 251 S HA 0.828 5.298 4.470 -0.000 0.000 0.322 251 S C -0.896 173.618 174.600 -0.143 0.000 1.085 251 S CA -0.496 57.704 58.200 0.001 0.000 1.096 251 S CB 0.133 63.334 63.200 0.001 0.000 0.988 251 S HN 0.746 nan 8.310 nan 0.000 0.466 252 A N 3.975 126.478 122.820 -0.528 0.000 2.310 252 A HA 0.629 4.949 4.320 -0.000 0.000 0.304 252 A C -0.048 176.877 177.584 -1.098 0.000 1.231 252 A CA -0.599 50.815 52.037 -1.038 0.000 0.799 252 A CB 0.921 18.529 19.000 -2.321 0.000 1.162 252 A HN 0.650 nan 8.150 nan 0.000 0.486 253 S N 4.546 119.996 115.700 -0.417 0.000 2.912 253 S HA 0.482 4.951 4.470 -0.000 0.000 0.184 253 S C -0.626 174.039 174.600 0.108 0.000 1.390 253 S CA -0.507 57.615 58.200 -0.130 0.000 1.088 253 S CB -0.689 62.588 63.200 0.128 0.000 1.284 253 S HN 0.771 nan 8.310 nan 0.000 0.502 254 W N -0.661 120.588 121.300 -0.086 0.000 2.982 254 W HA 0.690 5.350 4.660 -0.000 0.000 0.344 254 W C -0.337 176.281 176.519 0.164 0.000 1.215 254 W CA -1.053 56.287 57.345 -0.009 0.000 1.182 254 W CB 0.572 29.982 29.460 -0.084 0.000 1.437 254 W HN 0.392 nan 8.180 nan 0.000 0.570 255 G N 0.393 109.493 108.800 0.500 0.000 2.325 255 G HA2 0.514 4.474 3.960 -0.000 0.000 0.295 255 G HA3 0.514 4.474 3.960 -0.000 0.000 0.295 255 G C -3.289 171.762 174.900 0.252 0.000 1.274 255 G CA -0.962 44.333 45.100 0.325 0.000 0.857 255 G HN 0.270 nan 8.290 nan 0.000 0.499 256 P HA 0.369 nan 4.420 nan 0.000 0.271 256 P C -0.212 177.167 177.300 0.132 0.000 1.233 256 P CA -0.265 62.946 63.100 0.184 0.000 0.789 256 P CB 0.500 32.323 31.700 0.205 0.000 0.951 257 E N 0.969 121.225 120.200 0.094 0.000 2.708 257 E HA -0.099 4.251 4.350 -0.000 0.000 0.260 257 E C -0.299 176.342 176.600 0.068 0.000 0.937 257 E CA 0.907 57.347 56.400 0.067 0.000 0.953 257 E CB -0.301 29.426 29.700 0.046 0.000 0.915 257 E HN 0.216 nan 8.360 nan 0.000 0.487 258 D N 3.870 124.308 120.400 0.063 0.000 3.168 258 D HA 0.023 4.663 4.640 -0.000 0.000 0.255 258 D C -0.242 176.087 176.300 0.048 0.000 1.314 258 D CA -0.003 54.035 54.000 0.064 0.000 0.900 258 D CB 0.133 40.974 40.800 0.067 0.000 1.072 258 D HN 0.466 nan 8.370 nan 0.000 0.487 259 D N -1.114 119.307 120.400 0.035 0.000 2.339 259 D HA 0.062 4.702 4.640 -0.000 0.000 0.217 259 D C 1.550 177.863 176.300 0.021 0.000 1.050 259 D CA 0.064 54.069 54.000 0.008 0.000 0.856 259 D CB 0.027 40.825 40.800 -0.002 0.000 0.922 259 D HN 0.187 nan 8.370 nan 0.000 0.518 260 G N 0.642 109.475 108.800 0.054 0.000 2.143 260 G HA2 -0.362 3.597 3.960 -0.000 0.000 0.248 260 G HA3 -0.362 3.597 3.960 -0.000 0.000 0.248 260 G C 0.830 175.766 174.900 0.060 0.000 0.991 260 G CA 0.628 45.780 45.100 0.086 0.000 0.689 260 G HN 0.486 nan 8.290 nan 0.000 0.522 261 K N -0.892 119.524 120.400 0.027 0.000 2.502 261 K HA 0.235 4.554 4.320 -0.000 0.000 0.211 261 K C 1.025 177.607 176.600 -0.031 0.000 1.259 261 K CA 0.691 56.977 56.287 -0.002 0.000 0.983 261 K CB 1.061 33.573 32.500 0.019 0.000 1.054 261 K HN 0.395 nan 8.250 nan 0.000 0.572 262 T N -0.378 114.163 114.554 -0.022 0.000 2.929 262 T HA 0.506 4.856 4.350 -0.000 0.000 0.284 262 T C -0.658 173.984 174.700 -0.096 0.000 1.014 262 T CA -0.609 61.461 62.100 -0.050 0.000 1.051 262 T CB 1.393 70.255 68.868 -0.010 0.000 1.028 262 T HN -0.192 nan 8.240 nan 0.000 0.485 263 V N 4.292 124.097 119.914 -0.182 0.000 2.419 263 V HA 0.599 4.719 4.120 -0.000 0.000 0.287 263 V C -0.817 175.099 176.094 -0.297 0.000 1.017 263 V CA -0.623 61.456 62.300 -0.368 0.000 0.844 263 V CB 1.221 32.690 31.823 -0.590 0.000 1.011 263 V HN 1.072 nan 8.190 nan 0.000 0.429 264 D N 2.687 123.009 120.400 -0.130 0.000 2.609 264 D HA 0.812 5.451 4.640 -0.000 0.000 0.239 264 D C -0.177 176.304 176.300 0.301 0.000 1.229 264 D CA 0.226 54.275 54.000 0.081 0.000 0.808 264 D CB 2.601 43.470 40.800 0.114 0.000 1.448 264 D HN 0.731 nan 8.370 nan 0.000 0.433 265 G N 0.256 109.226 108.800 0.283 0.000 2.663 265 G HA2 0.609 4.569 3.960 -0.000 0.000 0.299 265 G HA3 0.609 4.569 3.960 -0.000 0.000 0.299 265 G C -2.802 172.023 174.900 -0.127 0.000 1.372 265 G CA -1.008 44.123 45.100 0.051 0.000 0.781 265 G HN 0.428 nan 8.290 nan 0.000 0.491 266 P HA 0.379 nan 4.420 nan 0.000 0.267 266 P C 0.184 177.462 177.300 -0.036 0.000 1.200 266 P CA 0.341 63.299 63.100 -0.237 0.000 0.772 266 P CB 1.336 32.865 31.700 -0.286 0.000 0.855 267 A N 3.530 126.375 122.820 0.042 0.000 2.450 267 A HA 0.293 4.613 4.320 -0.000 0.000 0.281 267 A C 1.794 179.383 177.584 0.009 0.000 1.372 267 A CA -0.236 51.822 52.037 0.034 0.000 0.886 267 A CB -0.087 18.944 19.000 0.052 0.000 1.462 267 A HN 0.367 nan 8.150 nan 0.000 0.514 268 R N -1.232 119.272 120.500 0.006 0.000 2.097 268 R HA -0.118 4.222 4.340 -0.000 0.000 0.236 268 R C 1.974 178.265 176.300 -0.015 0.000 1.135 268 R CA 2.146 58.242 56.100 -0.006 0.000 0.934 268 R CB -0.806 29.492 30.300 -0.004 0.000 0.846 268 R HN 0.664 nan 8.270 nan 0.000 0.431 269 L N -0.760 120.454 121.223 -0.016 0.000 2.093 269 L HA -0.076 4.264 4.340 -0.000 0.000 0.208 269 L C 2.416 179.250 176.870 -0.061 0.000 1.085 269 L CA 1.189 56.011 54.840 -0.031 0.000 0.755 269 L CB -0.544 41.499 42.059 -0.026 0.000 0.904 269 L HN 0.300 nan 8.230 nan 0.000 0.435 270 A N -0.072 122.713 122.820 -0.057 0.000 1.930 270 A HA -0.234 4.086 4.320 -0.000 0.000 0.217 270 A C 2.166 179.661 177.584 -0.149 0.000 1.175 270 A CA 1.711 53.667 52.037 -0.135 0.000 0.627 270 A CB -0.377 18.598 19.000 -0.041 0.000 0.815 270 A HN 0.358 nan 8.150 nan 0.000 0.443 271 E N 0.370 120.554 120.200 -0.028 0.000 2.077 271 E HA -0.183 4.167 4.350 -0.000 0.000 0.193 271 E C 1.879 178.487 176.600 0.014 0.000 0.989 271 E CA 1.773 58.202 56.400 0.048 0.000 0.800 271 E CB -0.236 29.472 29.700 0.013 0.000 0.746 271 E HN 0.711 nan 8.360 nan 0.000 0.452 272 E N -0.339 119.845 120.200 -0.026 0.000 2.051 272 E HA -0.183 4.167 4.350 -0.000 0.000 0.192 272 E C 2.058 178.630 176.600 -0.046 0.000 0.991 272 E CA 0.881 57.270 56.400 -0.017 0.000 0.799 272 E CB -0.230 29.457 29.700 -0.022 0.000 0.748 272 E HN 0.377 nan 8.360 nan 0.000 0.449 273 A N 0.913 123.660 122.820 -0.121 0.000 1.892 273 A HA -0.210 4.110 4.320 -0.000 0.000 0.218 273 A C 1.975 179.430 177.584 -0.215 0.000 1.188 273 A CA 1.305 53.231 52.037 -0.186 0.000 0.631 273 A CB -0.986 17.842 19.000 -0.286 0.000 0.822 273 A HN 0.234 nan 8.150 nan 0.000 0.447 274 F N -1.909 117.840 119.950 -0.335 0.000 2.069 274 F HA -0.187 4.340 4.527 -0.000 0.000 0.298 274 F C 2.170 177.553 175.800 -0.695 0.000 1.113 274 F CA 1.648 59.310 58.000 -0.563 0.000 1.214 274 F CB -0.332 38.331 39.000 -0.561 0.000 0.978 274 F HN 0.345 nan 8.300 nan 0.000 0.474 275 F N 0.689 120.269 119.950 -0.616 0.000 2.186 275 F HA -0.121 4.405 4.527 -0.000 0.000 0.299 275 F C 2.602 178.199 175.800 -0.338 0.000 1.090 275 F CA 1.275 58.860 58.000 -0.692 0.000 1.307 275 F CB -0.321 38.427 39.000 -0.420 0.000 1.019 275 F HN -0.254 nan 8.300 nan 0.000 0.489 276 R N 0.116 120.539 120.500 -0.128 0.000 2.081 276 R HA -0.113 4.227 4.340 -0.000 0.000 0.235 276 R C 2.417 178.620 176.300 -0.162 0.000 1.131 276 R CA 1.543 57.579 56.100 -0.107 0.000 0.960 276 R CB -1.030 29.250 30.300 -0.033 0.000 0.856 276 R HN 0.429 nan 8.270 nan 0.000 0.436 277 G N -0.291 108.446 108.800 -0.105 0.000 2.422 277 G HA2 -0.173 3.787 3.960 -0.000 0.000 0.218 277 G HA3 -0.173 3.787 3.960 -0.000 0.000 0.218 277 G C 1.327 176.118 174.900 -0.181 0.000 1.140 277 G CA 0.475 45.552 45.100 -0.038 0.000 0.775 277 G HN 0.248 nan 8.290 nan 0.000 0.545 278 V N 0.588 120.280 119.914 -0.370 0.000 2.809 278 V HA -0.065 4.055 4.120 -0.000 0.000 0.256 278 V C 2.846 178.606 176.094 -0.557 0.000 1.080 278 V CA 2.056 63.926 62.300 -0.718 0.000 1.102 278 V CB 0.271 31.330 31.823 -1.273 0.000 0.705 278 V HN 0.358 nan 8.190 nan 0.000 0.475 279 S N -0.897 114.505 115.700 -0.497 0.000 2.427 279 S HA -0.028 4.441 4.470 -0.000 0.000 0.224 279 S C 1.714 176.244 174.600 -0.117 0.000 1.047 279 S CA 0.589 58.601 58.200 -0.314 0.000 0.953 279 S CB 0.088 63.027 63.200 -0.435 0.000 0.824 279 S HN 0.637 nan 8.310 nan 0.000 0.502 280 Q N 0.515 120.250 119.800 -0.109 0.000 2.350 280 Q HA 0.275 4.614 4.340 -0.000 0.000 0.225 280 Q C 1.009 176.998 176.000 -0.018 0.000 0.878 280 Q CA -0.092 55.688 55.803 -0.038 0.000 0.935 280 Q CB 0.358 29.080 28.738 -0.027 0.000 1.099 280 Q HN 0.434 nan 8.270 nan 0.000 0.527 281 G N 0.832 109.611 108.800 -0.035 0.000 2.614 281 G HA2 0.052 4.012 3.960 -0.000 0.000 0.239 281 G HA3 0.052 4.012 3.960 -0.000 0.000 0.239 281 G C -0.344 174.567 174.900 0.019 0.000 1.240 281 G CA -0.411 44.685 45.100 -0.006 0.000 0.842 281 G HN 0.310 nan 8.290 nan 0.000 0.584 282 R N -0.516 120.000 120.500 0.026 0.000 3.251 282 R HA -0.190 4.150 4.340 -0.000 0.000 0.249 282 R C 1.438 177.772 176.300 0.056 0.000 0.949 282 R CA 0.755 56.886 56.100 0.052 0.000 0.645 282 R CB -1.618 28.736 30.300 0.091 0.000 1.065 282 R HN 1.982 nan 8.270 nan 0.000 0.452 283 G N -1.391 107.433 108.800 0.041 0.000 2.321 283 G HA2 -0.151 3.809 3.960 -0.000 0.000 0.287 283 G HA3 -0.151 3.809 3.960 -0.000 0.000 0.287 283 G C 0.997 175.924 174.900 0.046 0.000 1.018 283 G CA 1.108 46.232 45.100 0.041 0.000 0.855 283 G HN 1.467 nan 8.290 nan 0.000 0.507 284 G N -1.935 106.892 108.800 0.045 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 1.144 176.101 174.900 0.094 0.000 0.987 284 G CA 0.681 45.815 45.100 0.056 0.000 0.635 284 G HN 1.132 nan 8.290 nan 0.000 0.520 285 L N 0.828 122.112 121.223 0.101 0.000 2.341 285 L HA 0.448 4.788 4.340 -0.000 0.000 0.214 285 L C 1.564 178.571 176.870 0.229 0.000 1.115 285 L CA 0.949 55.875 54.840 0.142 0.000 0.820 285 L CB -0.295 41.830 42.059 0.110 0.000 0.944 285 L HN 1.244 nan 8.230 nan 0.000 0.452 286 G N -0.062 108.828 108.800 0.150 0.000 3.055 286 G HA2 -0.167 3.793 3.960 -0.000 0.000 0.686 286 G HA3 -0.167 3.793 3.960 -0.000 0.000 0.686 286 G C -0.359 174.552 174.900 0.019 0.000 1.087 286 G CA -0.672 44.485 45.100 0.095 0.000 0.779 286 G HN 0.003 nan 8.290 nan 0.000 0.599 287 S N 0.606 116.217 115.700 -0.149 0.000 2.572 287 S HA 0.460 4.930 4.470 -0.000 0.000 0.279 287 S C 0.924 175.297 174.600 -0.379 0.000 1.341 287 S CA 0.056 58.092 58.200 -0.273 0.000 1.043 287 S CB 0.764 63.638 63.200 -0.544 0.000 0.887 287 S HN 0.606 nan 8.310 nan 0.000 0.516 288 I N 2.826 123.249 120.570 -0.245 0.000 2.328 288 I HA 0.305 4.475 4.170 -0.000 0.000 0.287 288 I C -1.099 174.981 176.117 -0.061 0.000 1.012 288 I CA -0.205 61.047 61.300 -0.079 0.000 1.195 288 I CB 0.565 38.593 38.000 0.046 0.000 1.350 288 I HN 0.490 nan 8.210 nan 0.000 0.464 289 F N 6.205 126.338 119.950 0.306 0.000 2.361 289 F HA 0.399 4.926 4.527 -0.000 0.000 0.364 289 F C 0.116 176.110 175.800 0.323 0.000 1.120 289 F CA -0.934 57.287 58.000 0.367 0.000 1.102 289 F CB 1.135 40.429 39.000 0.490 0.000 1.183 289 F HN 0.057 nan 8.300 nan 0.000 0.476 290 V N 3.747 123.895 119.914 0.391 0.000 2.407 290 V HA 0.245 4.364 4.120 -0.000 0.000 0.278 290 V C -0.522 175.685 176.094 0.188 0.000 1.037 290 V CA -0.806 61.643 62.300 0.248 0.000 0.900 290 V CB 1.322 33.219 31.823 0.122 0.000 0.983 290 V HN 0.716 nan 8.190 nan 0.000 0.459 291 W N 2.828 124.159 121.300 0.053 0.000 2.844 291 W HA 0.726 5.386 4.660 -0.000 0.000 0.340 291 W C -0.162 176.344 176.519 -0.023 0.000 1.093 291 W CA -1.024 56.309 57.345 -0.020 0.000 1.212 291 W CB 2.380 31.821 29.460 -0.032 0.000 1.422 291 W HN 0.598 nan 8.180 nan 0.000 0.515 292 A N 2.047 124.891 122.820 0.040 0.000 2.362 292 A HA 0.297 4.616 4.320 -0.000 0.000 0.276 292 A C 1.101 178.808 177.584 0.205 0.000 1.153 292 A CA 0.299 52.382 52.037 0.078 0.000 0.813 292 A CB 0.664 19.661 19.000 -0.005 0.000 1.081 292 A HN 0.649 nan 8.150 nan 0.000 0.507 293 S N 2.213 118.002 115.700 0.149 0.000 2.474 293 S HA 0.366 4.836 4.470 -0.000 0.000 0.235 293 S C 0.954 175.627 174.600 0.123 0.000 0.997 293 S CA 0.619 58.902 58.200 0.138 0.000 0.949 293 S CB -0.571 62.684 63.200 0.091 0.000 0.766 293 S HN 2.563 nan 8.310 nan 0.000 0.517 294 G N 0.479 109.345 108.800 0.109 0.000 2.453 294 G HA2 0.060 4.020 3.960 -0.000 0.000 0.665 294 G HA3 0.060 4.020 3.960 -0.000 0.000 0.665 294 G C -0.740 174.202 174.900 0.070 0.000 1.411 294 G CA -0.584 44.572 45.100 0.093 0.000 0.889 294 G HN 0.111 nan 8.290 nan 0.000 0.651 295 N N 0.065 118.792 118.700 0.044 0.000 2.234 295 N HA 0.189 4.929 4.740 -0.000 0.000 0.227 295 N C 1.583 177.114 175.510 0.035 0.000 1.151 295 N CA 0.575 53.632 53.050 0.013 0.000 0.865 295 N CB 1.262 39.692 38.487 -0.095 0.000 1.066 295 N HN 0.924 nan 8.380 nan 0.000 0.515 296 G N -0.242 108.588 108.800 0.051 0.000 3.327 296 G HA2 0.101 4.060 3.960 -0.000 0.000 0.240 296 G HA3 0.101 4.060 3.960 -0.000 0.000 0.240 296 G C 1.362 176.284 174.900 0.037 0.000 1.222 296 G CA 0.153 45.288 45.100 0.058 0.000 0.871 296 G HN 0.259 nan 8.290 nan 0.000 0.525 297 G N 1.114 109.921 108.800 0.011 0.000 2.476 297 G HA2 -0.299 3.661 3.960 -0.000 0.000 0.218 297 G HA3 -0.299 3.661 3.960 -0.000 0.000 0.218 297 G C 1.684 176.528 174.900 -0.094 0.000 1.164 297 G CA 0.878 45.950 45.100 -0.047 0.000 0.768 297 G HN 0.501 nan 8.290 nan 0.000 0.560 298 R N 0.279 120.826 120.500 0.078 0.000 2.159 298 R HA -0.073 4.266 4.340 -0.000 0.000 0.237 298 R C 1.570 177.827 176.300 -0.071 0.000 1.131 298 R CA 1.355 57.486 56.100 0.052 0.000 0.982 298 R CB 0.021 30.480 30.300 0.265 0.000 0.868 298 R HN 0.241 nan 8.270 nan 0.000 0.453 299 E N -0.351 119.848 120.200 -0.001 0.000 2.479 299 E HA -0.013 4.337 4.350 -0.000 0.000 0.193 299 E C -0.392 176.346 176.600 0.229 0.000 1.049 299 E CA 0.093 56.580 56.400 0.144 0.000 0.870 299 E CB 0.098 29.846 29.700 0.080 0.000 0.944 299 E HN 0.363 nan 8.360 nan 0.000 0.492 300 H N 0.231 119.380 119.070 0.132 0.000 2.862 300 H HA -0.164 4.392 4.556 -0.000 0.000 0.290 300 H C -0.057 175.304 175.328 0.055 0.000 1.211 300 H CA 0.919 57.009 56.048 0.069 0.000 1.140 300 H CB -1.492 28.292 29.762 0.037 0.000 1.341 300 H HN 0.237 nan 8.280 nan 0.000 0.392 301 D N 0.512 120.974 120.400 0.102 0.000 2.368 301 D HA 0.236 4.875 4.640 -0.000 0.000 0.240 301 D C 0.182 176.525 176.300 0.071 0.000 1.169 301 D CA 0.261 54.313 54.000 0.087 0.000 0.906 301 D CB 0.963 41.807 40.800 0.073 0.000 1.187 301 D HN 0.237 nan 8.370 nan 0.000 0.435 302 S N 0.724 116.470 115.700 0.077 0.000 2.519 302 S HA 0.267 4.737 4.470 -0.000 0.000 0.309 302 S C 1.121 175.780 174.600 0.098 0.000 1.100 302 S CA -0.834 57.412 58.200 0.077 0.000 1.059 302 S CB 0.176 63.426 63.200 0.084 0.000 1.008 302 S HN 0.605 nan 8.310 nan 0.000 0.478 303 c N 3.691 122.344 118.600 0.088 0.000 2.511 303 c HA 0.185 4.755 4.570 -0.000 0.000 0.277 303 c C 1.771 175.938 174.090 0.127 0.000 1.451 303 c CA -0.275 56.114 56.329 0.100 0.000 1.735 303 c CB -2.018 40.539 42.510 0.079 0.000 1.704 303 c HN 0.805 nan 8.230 nan 0.000 0.571 304 N N 0.224 119.022 118.700 0.164 0.000 2.467 304 N HA 0.026 4.765 4.740 -0.000 0.000 0.184 304 N C 0.908 176.646 175.510 0.379 0.000 1.106 304 N CA 0.613 53.804 53.050 0.236 0.000 0.892 304 N CB -0.334 38.342 38.487 0.315 0.000 0.969 304 N HN 0.599 nan 8.380 nan 0.000 0.454 305 C N 0.240 119.705 119.300 0.275 0.000 2.693 305 C HA 0.193 4.653 4.460 -0.000 0.000 0.286 305 C C 0.492 175.609 174.990 0.213 0.000 1.277 305 C CA -0.831 58.286 59.018 0.165 0.000 1.705 305 C CB -1.165 26.605 27.740 0.049 0.000 1.879 305 C HN 0.220 nan 8.230 nan 0.000 0.607 306 D N 0.232 120.812 120.400 0.300 0.000 2.461 306 D HA 0.254 4.894 4.640 -0.000 0.000 0.240 306 D C 1.188 177.615 176.300 0.212 0.000 1.094 306 D CA -0.117 54.038 54.000 0.259 0.000 0.868 306 D CB 1.221 42.124 40.800 0.172 0.000 1.062 306 D HN 0.256 nan 8.370 nan 0.000 0.530 307 G N 2.309 111.262 108.800 0.255 0.000 2.535 307 G HA2 -0.267 3.693 3.960 -0.000 0.000 0.218 307 G HA3 -0.267 3.693 3.960 -0.000 0.000 0.218 307 G C 0.814 175.412 174.900 -0.504 0.000 1.122 307 G CA 0.796 45.793 45.100 -0.171 0.000 0.769 307 G HN 0.491 nan 8.290 nan 0.000 0.549 308 Y N 1.010 121.084 120.300 -0.377 0.000 2.231 308 Y HA -0.017 4.533 4.550 -0.000 0.000 0.294 308 Y C 3.263 178.597 175.900 -0.944 0.000 1.120 308 Y CA 1.525 59.101 58.100 -0.874 0.000 1.141 308 Y CB -0.586 37.097 38.460 -1.294 0.000 1.022 308 Y HN 0.227 nan 8.280 nan 0.000 0.523 309 T N -2.231 112.057 114.554 -0.443 0.000 2.904 309 T HA -0.135 4.214 4.350 -0.000 0.000 0.267 309 T C 1.569 176.156 174.700 -0.188 0.000 1.059 309 T CA 1.429 63.386 62.100 -0.238 0.000 1.137 309 T CB -0.562 68.290 68.868 -0.027 0.000 0.879 309 T HN 0.180 nan 8.240 nan 0.000 0.467 310 N N 1.317 119.893 118.700 -0.207 0.000 2.515 310 N HA 0.072 4.812 4.740 -0.000 0.000 0.185 310 N C 0.544 175.850 175.510 -0.340 0.000 1.109 310 N CA 0.080 53.004 53.050 -0.210 0.000 0.903 310 N CB -0.180 38.188 38.487 -0.199 0.000 0.969 310 N HN 0.396 nan 8.380 nan 0.000 0.450 311 S N -0.318 115.105 115.700 -0.462 0.000 2.572 311 S HA 0.079 4.549 4.470 -0.000 0.000 0.279 311 S C 1.588 175.859 174.600 -0.549 0.000 1.341 311 S CA -0.601 57.238 58.200 -0.602 0.000 1.043 311 S CB 0.230 62.937 63.200 -0.821 0.000 0.887 311 S HN 0.326 nan 8.310 nan 0.000 0.516 312 I N 1.945 122.041 120.570 -0.789 0.000 3.059 312 I HA 0.066 4.235 4.170 -0.000 0.000 0.270 312 I C 0.830 176.594 176.117 -0.588 0.000 1.238 312 I CA 0.773 61.557 61.300 -0.860 0.000 1.478 312 I CB -0.400 36.770 38.000 -1.383 0.000 1.097 312 I HN 0.697 nan 8.210 nan 0.000 0.455 313 Y N 2.714 122.765 120.300 -0.415 0.000 2.583 313 Y HA 0.103 4.653 4.550 -0.000 0.000 0.293 313 Y C 1.318 177.169 175.900 -0.081 0.000 1.157 313 Y CA 0.138 58.021 58.100 -0.361 0.000 1.315 313 Y CB -0.179 37.937 38.460 -0.574 0.000 1.021 313 Y HN 0.287 nan 8.280 nan 0.000 0.536 314 T N -1.919 112.622 114.554 -0.021 0.000 2.887 314 T HA 0.589 4.938 4.350 -0.000 0.000 0.288 314 T C -0.858 173.954 174.700 0.187 0.000 1.021 314 T CA -0.962 61.237 62.100 0.166 0.000 1.000 314 T CB 1.855 70.749 68.868 0.044 0.000 1.034 314 T HN -0.088 nan 8.240 nan 0.000 0.467 315 L N 2.811 124.183 121.223 0.249 0.000 2.270 315 L HA 0.463 4.803 4.340 -0.000 0.000 0.286 315 L C 0.797 177.774 176.870 0.178 0.000 1.059 315 L CA -0.206 54.738 54.840 0.173 0.000 0.839 315 L CB 0.972 43.111 42.059 0.134 0.000 1.221 315 L HN 0.838 nan 8.230 nan 0.000 0.431 316 S N 4.522 120.307 115.700 0.142 0.000 2.505 316 S HA 0.536 5.006 4.470 -0.000 0.000 0.276 316 S C -0.097 174.570 174.600 0.112 0.000 1.274 316 S CA -0.559 57.731 58.200 0.149 0.000 1.053 316 S CB 0.030 63.289 63.200 0.099 0.000 0.919 316 S HN 0.327 nan 8.310 nan 0.000 0.490 317 I N 4.293 124.931 120.570 0.113 0.000 2.433 317 I HA 0.399 4.569 4.170 -0.000 0.000 0.292 317 I C 0.623 176.782 176.117 0.071 0.000 1.001 317 I CA -0.370 60.975 61.300 0.075 0.000 1.119 317 I CB 1.314 39.347 38.000 0.054 0.000 1.289 317 I HN 0.540 nan 8.210 nan 0.000 0.438 318 S N 3.368 119.108 115.700 0.066 0.000 2.745 318 S HA 0.702 5.171 4.470 -0.000 0.000 0.292 318 S C 0.079 174.730 174.600 0.086 0.000 1.127 318 S CA -0.487 57.754 58.200 0.067 0.000 1.007 318 S CB 1.754 64.976 63.200 0.037 0.000 1.165 318 S HN 0.657 nan 8.310 nan 0.000 0.544 319 S N 0.077 115.838 115.700 0.103 0.000 2.648 319 S HA 0.880 5.350 4.470 -0.000 0.000 0.305 319 S C -0.849 173.856 174.600 0.176 0.000 1.094 319 S CA -0.722 57.557 58.200 0.131 0.000 0.983 319 S CB 1.701 65.033 63.200 0.221 0.000 1.101 319 S HN 0.913 nan 8.310 nan 0.000 0.514 320 A N 1.395 124.324 122.820 0.181 0.000 2.486 320 A HA 0.754 5.074 4.320 -0.000 0.000 0.300 320 A C 0.018 177.803 177.584 0.336 0.000 1.048 320 A CA -0.807 51.375 52.037 0.242 0.000 0.696 320 A CB 0.891 19.907 19.000 0.026 0.000 1.278 320 A HN 0.816 nan 8.150 nan 0.000 0.405 321 T N -0.887 113.841 114.554 0.289 0.000 2.788 321 T HA 0.243 4.592 4.350 -0.000 0.000 0.287 321 T C 1.136 176.029 174.700 0.323 0.000 1.007 321 T CA 0.486 62.733 62.100 0.245 0.000 1.005 321 T CB 0.766 69.676 68.868 0.070 0.000 1.012 321 T HN 0.791 nan 8.240 nan 0.000 0.530 322 Q N 0.025 119.791 119.800 -0.057 0.000 2.197 322 Q HA -0.119 4.221 4.340 -0.000 0.000 0.207 322 Q C 1.124 177.159 176.000 0.058 0.000 0.984 322 Q CA 1.665 57.209 55.803 -0.432 0.000 0.869 322 Q CB -0.333 27.671 28.738 -1.224 0.000 0.906 322 Q HN 0.872 nan 8.270 nan 0.000 0.426 323 F N -0.629 119.314 119.950 -0.012 0.000 2.664 323 F HA 0.270 4.796 4.527 -0.000 0.000 0.301 323 F C 1.216 177.091 175.800 0.124 0.000 1.126 323 F CA -0.194 57.821 58.000 0.024 0.000 1.373 323 F CB 0.484 39.483 39.000 -0.002 0.000 1.042 323 F HN 0.300 nan 8.300 nan 0.000 0.535 324 G N 1.281 110.321 108.800 0.400 0.000 2.198 324 G HA2 -0.276 3.683 3.960 -0.000 0.000 0.257 324 G HA3 -0.276 3.683 3.960 -0.000 0.000 0.257 324 G C -0.299 174.771 174.900 0.283 0.000 1.042 324 G CA -0.265 45.035 45.100 0.333 0.000 0.791 324 G HN 0.357 nan 8.290 nan 0.000 0.502 325 N N -1.007 117.861 118.700 0.279 0.000 2.459 325 N HA 0.520 5.260 4.740 -0.000 0.000 0.288 325 N C 0.308 175.967 175.510 0.248 0.000 1.186 325 N CA -0.570 52.633 53.050 0.256 0.000 0.917 325 N CB 1.661 40.262 38.487 0.189 0.000 1.219 325 N HN 0.014 nan 8.380 nan 0.000 0.525 326 V N 2.817 122.829 119.914 0.164 0.000 2.446 326 V HA 0.141 4.260 4.120 -0.000 0.000 0.276 326 V C -1.803 174.225 176.094 -0.110 0.000 1.030 326 V CA -0.984 61.305 62.300 -0.019 0.000 1.033 326 V CB 0.220 31.954 31.823 -0.148 0.000 0.993 326 V HN 0.532 nan 8.190 nan 0.000 0.477 327 P HA -0.021 nan 4.420 nan 0.000 0.268 327 P C 0.943 177.903 177.300 -0.568 0.000 1.208 327 P CA -0.176 62.579 63.100 -0.575 0.000 0.777 327 P CB 0.353 31.268 31.700 -1.307 0.000 0.875 328 W N 2.223 123.300 121.300 -0.371 0.000 2.465 328 W HA -0.166 4.493 4.660 -0.000 0.000 0.268 328 W C 0.755 177.176 176.519 -0.164 0.000 1.242 328 W CA 0.780 58.012 57.345 -0.188 0.000 1.248 328 W CB -1.447 27.985 29.460 -0.047 0.000 1.118 328 W HN 0.436 nan 8.180 nan 0.000 0.587 329 Y N 1.366 121.151 120.300 -0.858 0.000 2.482 329 Y HA 0.412 4.961 4.550 -0.000 0.000 0.270 329 Y C 1.303 176.986 175.900 -0.361 0.000 1.152 329 Y CA -0.463 57.162 58.100 -0.792 0.000 1.292 329 Y CB -1.418 36.265 38.460 -1.295 0.000 1.070 329 Y HN -0.178 nan 8.280 nan 0.000 0.528 330 S N 1.834 117.224 115.700 -0.517 0.000 2.537 330 S HA 0.063 4.533 4.470 -0.000 0.000 0.286 330 S C -0.249 174.269 174.600 -0.137 0.000 1.299 330 S CA -0.481 57.556 58.200 -0.272 0.000 1.067 330 S CB 0.203 63.187 63.200 -0.360 0.000 0.864 330 S HN 0.530 nan 8.310 nan 0.000 0.494 331 E N 2.379 122.541 120.200 -0.064 0.000 2.179 331 E HA 0.590 4.939 4.350 -0.000 0.000 0.275 331 E C -0.467 176.107 176.600 -0.043 0.000 0.945 331 E CA -0.795 55.586 56.400 -0.030 0.000 0.792 331 E CB 1.703 31.414 29.700 0.019 0.000 1.125 331 E HN 0.694 nan 8.360 nan 0.000 0.397 332 A N 1.926 124.724 122.820 -0.038 0.000 2.303 332 A HA 0.741 5.061 4.320 -0.000 0.000 0.317 332 A C -0.285 177.313 177.584 0.023 0.000 1.149 332 A CA -0.448 51.570 52.037 -0.032 0.000 0.822 332 A CB 0.288 19.256 19.000 -0.054 0.000 1.131 332 A HN 0.866 nan 8.150 nan 0.000 0.493 333 c N -0.651 117.994 118.600 0.074 0.000 3.197 333 c HA 0.592 5.162 4.570 -0.000 0.000 0.343 333 c C 0.973 175.120 174.090 0.096 0.000 1.291 333 c CA 0.060 56.449 56.329 0.100 0.000 1.191 333 c CB 0.804 43.358 42.510 0.074 0.000 1.444 333 c HN 1.473 nan 8.230 nan 0.000 0.468 334 S N 0.316 116.032 115.700 0.026 0.000 2.562 334 S HA 0.010 4.480 4.470 -0.000 0.000 0.221 334 S C 1.190 175.726 174.600 -0.108 0.000 0.975 334 S CA 1.063 59.085 58.200 -0.297 0.000 0.918 334 S CB -0.472 62.514 63.200 -0.357 0.000 0.772 334 S HN 1.792 nan 8.310 nan 0.000 0.531 335 S N 0.465 116.170 115.700 0.009 0.000 2.528 335 S HA 0.115 4.585 4.470 -0.000 0.000 0.219 335 S C 0.695 175.340 174.600 0.074 0.000 0.985 335 S CA -0.210 58.021 58.200 0.051 0.000 0.914 335 S CB -0.758 62.456 63.200 0.023 0.000 0.776 335 S HN 0.378 nan 8.310 nan 0.000 0.526 336 T N 2.990 117.584 114.554 0.067 0.000 2.928 336 T HA 0.249 4.599 4.350 -0.000 0.000 0.305 336 T C 0.775 175.522 174.700 0.080 0.000 1.035 336 T CA -0.097 62.043 62.100 0.066 0.000 1.145 336 T CB 1.027 69.919 68.868 0.041 0.000 0.963 336 T HN 0.156 nan 8.240 nan 0.000 0.545 337 L N 2.791 124.058 121.223 0.074 0.000 2.269 337 L HA 0.600 4.939 4.340 -0.000 0.000 0.200 337 L C 0.817 177.741 176.870 0.089 0.000 1.069 337 L CA 1.089 55.974 54.840 0.075 0.000 0.804 337 L CB -0.299 41.764 42.059 0.007 0.000 0.987 337 L HN 0.804 nan 8.230 nan 0.000 0.468 338 A N -2.422 120.433 122.820 0.058 0.000 2.529 338 A HA 0.772 5.092 4.320 -0.000 0.000 0.296 338 A C -0.911 176.707 177.584 0.057 0.000 1.205 338 A CA -0.248 51.824 52.037 0.058 0.000 0.671 338 A CB 0.837 19.843 19.000 0.010 0.000 1.301 338 A HN 0.005 nan 8.150 nan 0.000 0.450 339 T N 0.623 115.200 114.554 0.039 0.000 2.906 339 T HA 0.805 5.155 4.350 -0.000 0.000 0.295 339 T C -0.440 174.226 174.700 -0.057 0.000 1.075 339 T CA 0.099 62.216 62.100 0.028 0.000 1.005 339 T CB 1.738 70.655 68.868 0.082 0.000 1.136 339 T HN 1.432 nan 8.240 nan 0.000 0.498 340 T N -0.911 113.604 114.554 -0.065 0.000 2.864 340 T HA 0.668 5.017 4.350 -0.000 0.000 0.299 340 T C -1.043 173.596 174.700 -0.101 0.000 1.166 340 T CA -0.814 61.221 62.100 -0.108 0.000 1.007 340 T CB 0.704 69.542 68.868 -0.050 0.000 1.219 340 T HN 0.457 nan 8.240 nan 0.000 0.506 341 Y N 0.713 121.011 120.300 -0.004 0.000 2.357 341 Y HA 0.531 5.081 4.550 -0.000 0.000 0.340 341 Y C 1.454 177.320 175.900 -0.056 0.000 1.260 341 Y CA 0.744 58.869 58.100 0.042 0.000 1.425 341 Y CB 1.139 39.615 38.460 0.027 0.000 1.326 341 Y HN 0.970 nan 8.280 nan 0.000 0.580 342 S N -0.479 115.407 115.700 0.310 0.000 2.815 342 S HA 0.381 4.851 4.470 -0.000 0.000 0.296 342 S C -1.057 173.732 174.600 0.315 0.000 1.224 342 S CA -0.479 57.817 58.200 0.159 0.000 0.938 342 S CB -0.079 63.181 63.200 0.100 0.000 1.285 342 S HN 0.713 nan 8.310 nan 0.000 0.549 343 S N -0.045 115.789 115.700 0.223 0.000 2.600 343 S HA 0.734 5.203 4.470 -0.000 0.000 0.265 343 S C 0.613 175.384 174.600 0.285 0.000 1.325 343 S CA 0.270 58.615 58.200 0.242 0.000 1.002 343 S CB 0.658 63.961 63.200 0.171 0.000 0.921 343 S HN 1.281 nan 8.310 nan 0.000 0.554 344 G N 0.961 109.884 108.800 0.205 0.000 3.198 344 G HA2 0.450 4.410 3.960 -0.000 0.000 0.166 344 G HA3 0.450 4.410 3.960 -0.000 0.000 0.166 344 G C -0.544 174.503 174.900 0.245 0.000 1.134 344 G CA -0.410 44.793 45.100 0.172 0.000 0.941 344 G HN 0.891 nan 8.290 nan 0.000 0.639 345 N N -0.163 118.607 118.700 0.117 0.000 2.322 345 N HA 0.142 4.882 4.740 -0.000 0.000 0.270 345 N C 0.961 176.495 175.510 0.041 0.000 1.286 345 N CA -0.091 53.021 53.050 0.104 0.000 0.948 345 N CB 0.346 38.868 38.487 0.058 0.000 1.164 345 N HN 0.496 nan 8.380 nan 0.000 0.551 346 Q N -1.451 118.364 119.800 0.025 0.000 2.364 346 Q HA -0.053 4.287 4.340 -0.000 0.000 0.209 346 Q C 0.204 176.198 176.000 -0.010 0.000 0.977 346 Q CA 1.092 56.903 55.803 0.013 0.000 0.885 346 Q CB -0.363 28.380 28.738 0.007 0.000 0.941 346 Q HN 0.583 nan 8.270 nan 0.000 0.464 347 N N 0.209 118.891 118.700 -0.030 0.000 2.270 347 N HA 0.048 4.787 4.740 -0.000 0.000 0.198 347 N C -0.862 174.540 175.510 -0.180 0.000 1.117 347 N CA 0.201 53.230 53.050 -0.035 0.000 0.845 347 N CB 0.656 39.177 38.487 0.057 0.000 0.980 347 N HN 0.202 nan 8.380 nan 0.000 0.486 348 E N -0.028 119.993 120.200 -0.299 0.000 2.207 348 E HA 0.316 4.666 4.350 -0.000 0.000 0.270 348 E C -0.455 175.944 176.600 -0.336 0.000 0.927 348 E CA -0.907 55.157 56.400 -0.559 0.000 0.799 348 E CB 1.400 30.661 29.700 -0.731 0.000 1.172 348 E HN -0.165 nan 8.360 nan 0.000 0.404 349 K N 1.500 121.617 120.400 -0.472 0.000 2.230 349 K HA 0.079 4.399 4.320 -0.000 0.000 0.253 349 K C 0.044 176.695 176.600 0.084 0.000 1.008 349 K CA 0.404 56.540 56.287 -0.251 0.000 0.910 349 K CB 0.414 32.575 32.500 -0.566 0.000 0.994 349 K HN 0.397 nan 8.250 nan 0.000 0.495 350 Q N 0.333 120.338 119.800 0.342 0.000 2.962 350 Q HA 0.475 4.815 4.340 -0.000 0.000 0.282 350 Q C -0.405 175.873 176.000 0.462 0.000 1.058 350 Q CA -1.217 54.814 55.803 0.379 0.000 0.854 350 Q CB 0.974 29.840 28.738 0.212 0.000 1.441 350 Q HN 0.265 nan 8.270 nan 0.000 0.497 351 I N 1.515 122.206 120.570 0.202 0.000 2.428 351 I HA 0.214 4.383 4.170 -0.000 0.000 0.289 351 I C -0.140 176.109 176.117 0.220 0.000 1.019 351 I CA -0.428 60.914 61.300 0.071 0.000 1.351 351 I CB 0.968 38.862 38.000 -0.176 0.000 1.412 351 I HN 0.280 nan 8.210 nan 0.000 0.513 352 V N 5.672 125.773 119.914 0.311 0.000 2.394 352 V HA 0.651 4.771 4.120 -0.000 0.000 0.282 352 V C 0.311 176.516 176.094 0.185 0.000 1.031 352 V CA -0.074 62.367 62.300 0.235 0.000 0.881 352 V CB 1.486 33.443 31.823 0.223 0.000 0.982 352 V HN 0.988 nan 8.190 nan 0.000 0.451 353 T N 2.208 116.823 114.554 0.102 0.000 2.661 353 T HA 0.391 4.741 4.350 -0.000 0.000 0.305 353 T C -0.456 174.225 174.700 -0.031 0.000 1.441 353 T CA 0.038 62.159 62.100 0.034 0.000 0.999 353 T CB 1.757 70.621 68.868 -0.007 0.000 1.650 353 T HN 0.826 nan 8.240 nan 0.000 0.489 354 T N 1.529 116.004 114.554 -0.132 0.000 2.851 354 T HA 0.541 4.891 4.350 -0.000 0.000 0.298 354 T C -0.431 174.167 174.700 -0.170 0.000 0.977 354 T CA -0.470 61.464 62.100 -0.276 0.000 1.126 354 T CB 0.784 69.221 68.868 -0.720 0.000 0.916 354 T HN 0.525 nan 8.240 nan 0.000 0.529 355 D N 1.336 121.748 120.400 0.020 0.000 2.414 355 D HA 0.426 5.066 4.640 -0.000 0.000 0.241 355 D C 0.237 176.627 176.300 0.151 0.000 1.008 355 D CA -1.031 52.993 54.000 0.039 0.000 1.001 355 D CB 1.478 42.307 40.800 0.048 0.000 1.277 355 D HN 0.559 nan 8.370 nan 0.000 0.538 356 L N 1.360 122.641 121.223 0.096 0.000 2.492 356 L HA 0.129 4.469 4.340 -0.000 0.000 0.280 356 L C 0.918 177.899 176.870 0.185 0.000 1.240 356 L CA 0.203 55.132 54.840 0.149 0.000 0.831 356 L CB 0.169 42.277 42.059 0.081 0.000 1.100 356 L HN 0.649 nan 8.230 nan 0.000 0.505 357 R N 1.428 122.077 120.500 0.247 0.000 3.531 357 R HA -0.209 4.131 4.340 -0.000 0.000 0.280 357 R C 0.093 176.391 176.300 -0.002 0.000 1.130 357 R CA 0.627 56.797 56.100 0.116 0.000 0.757 357 R CB -1.804 28.553 30.300 0.094 0.000 1.218 357 R HN 0.764 nan 8.270 nan 0.000 0.454 358 Q N -2.116 117.638 119.800 -0.078 0.000 2.480 358 Q HA -0.255 4.085 4.340 -0.000 0.000 0.265 358 Q C -0.329 175.527 176.000 -0.241 0.000 1.072 358 Q CA 1.658 57.190 55.803 -0.452 0.000 1.018 358 Q CB -0.672 27.865 28.738 -0.336 0.000 1.433 358 Q HN 0.530 nan 8.270 nan 0.000 0.513 359 K N -0.267 120.164 120.400 0.051 0.000 2.240 359 K HA 0.644 4.964 4.320 -0.000 0.000 0.237 359 K C -0.396 176.339 176.600 0.224 0.000 1.027 359 K CA -0.519 55.831 56.287 0.105 0.000 0.937 359 K CB 1.646 34.194 32.500 0.080 0.000 1.171 359 K HN 0.194 nan 8.250 nan 0.000 0.479 360 c N 0.643 119.325 118.600 0.137 0.000 2.441 360 c HA 0.525 5.095 4.570 -0.000 0.000 0.318 360 c C -0.213 173.929 174.090 0.087 0.000 1.222 360 c CA -0.154 56.248 56.329 0.122 0.000 1.474 360 c CB 0.957 43.534 42.510 0.113 0.000 2.125 360 c HN 0.763 nan 8.230 nan 0.000 0.479 361 T N 2.796 117.393 114.554 0.072 0.000 2.885 361 T HA 0.511 4.861 4.350 -0.000 0.000 0.285 361 T C 0.181 174.940 174.700 0.098 0.000 1.019 361 T CA -0.161 61.982 62.100 0.072 0.000 1.010 361 T CB 1.504 70.400 68.868 0.046 0.000 1.022 361 T HN 0.812 nan 8.240 nan 0.000 0.466 362 E N 1.074 121.341 120.200 0.112 0.000 2.603 362 E HA 0.200 4.550 4.350 -0.000 0.000 0.211 362 E C 0.289 176.985 176.600 0.160 0.000 0.995 362 E CA -0.190 56.298 56.400 0.147 0.000 0.990 362 E CB 0.791 30.571 29.700 0.134 0.000 1.036 362 E HN 0.538 nan 8.360 nan 0.000 0.475 363 S N -0.791 114.994 115.700 0.142 0.000 2.668 363 S HA 0.174 4.643 4.470 -0.000 0.000 0.244 363 S C -0.328 174.376 174.600 0.174 0.000 1.140 363 S CA -0.685 57.603 58.200 0.146 0.000 1.134 363 S CB -0.386 62.883 63.200 0.115 0.000 0.954 363 S HN 0.278 nan 8.310 nan 0.000 0.490 364 H N 2.059 121.154 119.070 0.041 0.000 2.582 364 H HA 0.474 5.029 4.556 -0.000 0.000 0.345 364 H C 0.347 175.665 175.328 -0.017 0.000 1.104 364 H CA 0.526 56.568 56.048 -0.010 0.000 1.390 364 H CB 0.953 30.687 29.762 -0.047 0.000 1.461 364 H HN 0.613 nan 8.280 nan 0.000 0.551 365 T N 1.319 115.769 114.554 -0.174 0.000 2.804 365 T HA 0.613 4.963 4.350 -0.000 0.000 0.290 365 T C 0.350 174.744 174.700 -0.509 0.000 1.099 365 T CA -0.157 61.788 62.100 -0.258 0.000 1.011 365 T CB 1.492 70.305 68.868 -0.091 0.000 1.291 365 T HN 1.002 nan 8.240 nan 0.000 0.523 366 G N 0.340 108.698 108.800 -0.737 0.000 2.855 366 G HA2 -0.127 3.833 3.960 -0.000 0.000 0.352 366 G HA3 -0.127 3.833 3.960 -0.000 0.000 0.352 366 G C 0.747 175.302 174.900 -0.576 0.000 1.415 366 G CA 0.641 45.075 45.100 -1.109 0.000 0.871 366 G HN 2.019 nan 8.290 nan 0.000 0.543 367 T N -2.398 111.934 114.554 -0.369 0.000 3.051 367 T HA 0.079 4.428 4.350 -0.000 0.000 0.269 367 T C 2.303 176.929 174.700 -0.123 0.000 1.127 367 T CA 2.008 64.049 62.100 -0.097 0.000 1.107 367 T CB -0.082 68.796 68.868 0.017 0.000 0.898 367 T HN 0.811 nan 8.240 nan 0.000 0.517 368 S N 1.172 116.764 115.700 -0.180 0.000 2.447 368 S HA 0.232 4.702 4.470 -0.000 0.000 0.233 368 S C 2.367 176.830 174.600 -0.228 0.000 1.006 368 S CA 0.666 58.786 58.200 -0.132 0.000 0.957 368 S CB -0.409 62.759 63.200 -0.053 0.000 0.773 368 S HN 0.789 nan 8.310 nan 0.000 0.507 369 A N 0.585 123.169 122.820 -0.392 0.000 2.030 369 A HA 0.138 4.458 4.320 -0.000 0.000 0.215 369 A C 2.203 179.675 177.584 -0.187 0.000 1.164 369 A CA 0.894 52.714 52.037 -0.362 0.000 0.697 369 A CB -0.406 18.284 19.000 -0.517 0.000 0.827 369 A HN 0.398 nan 8.150 nan 0.000 0.457 370 S N 0.151 115.766 115.700 -0.142 0.000 2.371 370 S HA 0.036 4.506 4.470 -0.000 0.000 0.224 370 S C 2.316 176.888 174.600 -0.047 0.000 1.029 370 S CA 1.009 59.163 58.200 -0.076 0.000 0.978 370 S CB -0.332 62.854 63.200 -0.025 0.000 0.833 370 S HN 0.742 nan 8.310 nan 0.000 0.466 371 A N 2.723 125.516 122.820 -0.044 0.000 1.858 371 A HA -0.030 4.289 4.320 -0.000 0.000 0.216 371 A C 0.091 177.661 177.584 -0.023 0.000 1.190 371 A CA 1.470 53.489 52.037 -0.029 0.000 0.617 371 A CB -1.773 17.189 19.000 -0.063 0.000 0.827 371 A HN 0.443 nan 8.150 nan 0.000 0.443 372 P HA -0.132 nan 4.420 nan 0.000 0.218 372 P C 1.565 178.869 177.300 0.007 0.000 1.149 372 P CA 0.938 64.036 63.100 -0.005 0.000 0.817 372 P CB -0.208 31.495 31.700 0.004 0.000 0.785 373 L N -0.544 120.675 121.223 -0.007 0.000 2.083 373 L HA -0.133 4.207 4.340 -0.000 0.000 0.209 373 L C 2.778 179.653 176.870 0.008 0.000 1.083 373 L CA 1.579 56.424 54.840 0.009 0.000 0.752 373 L CB -1.141 40.901 42.059 -0.029 0.000 0.899 373 L HN -0.043 nan 8.230 nan 0.000 0.433 374 A N -0.029 122.789 122.820 -0.004 0.000 1.930 374 A HA -0.123 4.197 4.320 -0.000 0.000 0.217 374 A C 2.533 180.116 177.584 -0.000 0.000 1.175 374 A CA 1.544 53.578 52.037 -0.005 0.000 0.627 374 A CB -0.612 18.389 19.000 0.001 0.000 0.815 374 A HN 0.389 nan 8.150 nan 0.000 0.443 375 A N -0.376 122.450 122.820 0.009 0.000 1.933 375 A HA 0.115 4.434 4.320 -0.000 0.000 0.218 375 A C 2.380 179.967 177.584 0.005 0.000 1.175 375 A CA 1.921 53.965 52.037 0.011 0.000 0.628 375 A CB -1.331 17.679 19.000 0.015 0.000 0.814 375 A HN 0.692 nan 8.150 nan 0.000 0.444 376 G N 0.057 108.868 108.800 0.018 0.000 2.421 376 G HA2 -0.193 3.767 3.960 -0.000 0.000 0.216 376 G HA3 -0.193 3.767 3.960 -0.000 0.000 0.216 376 G C 1.520 176.428 174.900 0.013 0.000 1.171 376 G CA 1.099 46.218 45.100 0.032 0.000 0.775 376 G HN 0.471 nan 8.290 nan 0.000 0.543 377 I N 0.582 121.150 120.570 -0.002 0.000 2.286 377 I HA -0.125 4.045 4.170 -0.000 0.000 0.248 377 I C 2.553 178.633 176.117 -0.061 0.000 1.115 377 I CA 0.841 62.120 61.300 -0.036 0.000 1.392 377 I CB -0.150 37.821 38.000 -0.048 0.000 1.065 377 I HN 0.165 nan 8.210 nan 0.000 0.418 378 I N 0.555 121.094 120.570 -0.051 0.000 2.546 378 I HA -0.193 3.977 4.170 -0.000 0.000 0.255 378 I C 2.706 178.776 176.117 -0.078 0.000 1.163 378 I CA 0.835 62.094 61.300 -0.068 0.000 1.457 378 I CB -0.341 37.635 38.000 -0.039 0.000 1.092 378 I HN 0.158 nan 8.210 nan 0.000 0.434 379 A N 1.151 123.937 122.820 -0.057 0.000 1.897 379 A HA -0.096 4.224 4.320 -0.000 0.000 0.215 379 A C 2.268 179.802 177.584 -0.084 0.000 1.181 379 A CA 1.073 53.069 52.037 -0.068 0.000 0.620 379 A CB -0.608 18.368 19.000 -0.039 0.000 0.821 379 A HN 0.345 nan 8.150 nan 0.000 0.443 380 L N -0.620 120.565 121.223 -0.063 0.000 2.046 380 L HA -0.160 4.180 4.340 -0.000 0.000 0.208 380 L C 2.739 179.489 176.870 -0.200 0.000 1.077 380 L CA 1.801 56.603 54.840 -0.062 0.000 0.747 380 L CB -1.248 40.801 42.059 -0.017 0.000 0.896 380 L HN 0.334 nan 8.230 nan 0.000 0.432 381 T N 0.437 114.869 114.554 -0.203 0.000 2.746 381 T HA -0.168 4.182 4.350 -0.000 0.000 0.267 381 T C 2.029 176.570 174.700 -0.266 0.000 1.039 381 T CA 1.154 63.094 62.100 -0.266 0.000 1.142 381 T CB -0.223 68.516 68.868 -0.214 0.000 0.866 381 T HN 0.195 nan 8.240 nan 0.000 0.444 382 L N 0.584 121.686 121.223 -0.202 0.000 2.083 382 L HA -0.098 4.241 4.340 -0.000 0.000 0.209 382 L C 2.823 179.577 176.870 -0.193 0.000 1.083 382 L CA 1.401 56.126 54.840 -0.193 0.000 0.752 382 L CB -0.427 41.510 42.059 -0.204 0.000 0.899 382 L HN 0.393 nan 8.230 nan 0.000 0.433 383 E N 0.304 120.401 120.200 -0.172 0.000 2.077 383 E HA -0.253 4.097 4.350 -0.000 0.000 0.193 383 E C 2.127 178.657 176.600 -0.118 0.000 0.989 383 E CA 1.240 57.598 56.400 -0.070 0.000 0.800 383 E CB -0.006 29.748 29.700 0.089 0.000 0.746 383 E HN 0.463 nan 8.360 nan 0.000 0.452 384 A N 0.615 123.136 122.820 -0.497 0.000 2.070 384 A HA -0.122 4.198 4.320 -0.000 0.000 0.220 384 A C 1.070 178.498 177.584 -0.260 0.000 1.159 384 A CA 1.197 52.790 52.037 -0.740 0.000 0.656 384 A CB -0.028 18.224 19.000 -1.245 0.000 0.800 384 A HN 0.298 nan 8.150 nan 0.000 0.453 385 N N -0.847 117.739 118.700 -0.190 0.000 2.969 385 N HA 0.087 4.827 4.740 -0.000 0.000 0.230 385 N C -0.133 175.329 175.510 -0.080 0.000 1.397 385 N CA -0.371 52.624 53.050 -0.091 0.000 0.762 385 N CB 0.562 39.007 38.487 -0.071 0.000 1.495 385 N HN -0.040 nan 8.380 nan 0.000 0.583 386 K N 0.902 121.265 120.400 -0.062 0.000 2.519 386 K HA 0.060 4.379 4.320 -0.000 0.000 0.196 386 K C 0.347 176.933 176.600 -0.024 0.000 1.041 386 K CA 0.580 56.827 56.287 -0.067 0.000 0.954 386 K CB 0.022 32.489 32.500 -0.055 0.000 0.774 386 K HN 0.571 nan 8.250 nan 0.000 0.480 387 N N 0.383 119.084 118.700 0.002 0.000 2.270 387 N HA 0.087 4.827 4.740 -0.000 0.000 0.198 387 N C -0.337 175.203 175.510 0.050 0.000 1.117 387 N CA -0.260 52.810 53.050 0.032 0.000 0.845 387 N CB 0.296 38.809 38.487 0.042 0.000 0.980 387 N HN -0.016 nan 8.380 nan 0.000 0.486 388 L N 1.640 122.877 121.223 0.024 0.000 2.455 388 L HA 0.071 4.411 4.340 -0.000 0.000 0.272 388 L C 1.276 178.174 176.870 0.047 0.000 1.174 388 L CA -0.142 54.712 54.840 0.023 0.000 0.869 388 L CB 0.370 42.387 42.059 -0.070 0.000 1.130 388 L HN 0.154 nan 8.230 nan 0.000 0.474 389 T N -1.029 113.565 114.554 0.068 0.000 2.824 389 T HA 0.072 4.422 4.350 -0.000 0.000 0.277 389 T C 1.282 176.037 174.700 0.092 0.000 0.975 389 T CA -0.674 61.481 62.100 0.092 0.000 0.966 389 T CB 0.866 69.760 68.868 0.043 0.000 1.054 389 T HN 0.761 nan 8.240 nan 0.000 0.533 390 W N 0.930 122.268 121.300 0.062 0.000 2.350 390 W HA -0.090 4.570 4.660 -0.000 0.000 0.289 390 W C 1.592 178.185 176.519 0.122 0.000 1.215 390 W CA 0.612 57.998 57.345 0.068 0.000 1.236 390 W CB -0.925 28.576 29.460 0.069 0.000 1.130 390 W HN 0.646 nan 8.180 nan 0.000 0.541 391 R N 0.585 120.695 120.500 -0.650 0.000 2.075 391 R HA -0.090 4.250 4.340 -0.000 0.000 0.226 391 R C 1.893 178.205 176.300 0.020 0.000 1.114 391 R CA 1.443 57.250 56.100 -0.488 0.000 0.972 391 R CB -0.511 29.416 30.300 -0.622 0.000 0.869 391 R HN -0.005 nan 8.270 nan 0.000 0.437 392 D N 0.934 121.355 120.400 0.035 0.000 2.116 392 D HA -0.219 4.421 4.640 -0.000 0.000 0.193 392 D C 1.751 177.945 176.300 -0.177 0.000 0.998 392 D CA 1.418 55.450 54.000 0.053 0.000 0.836 392 D CB -0.085 40.739 40.800 0.041 0.000 0.951 392 D HN 0.023 nan 8.370 nan 0.000 0.449 393 M N 0.771 120.291 119.600 -0.133 0.000 2.108 393 M HA -0.173 4.307 4.480 -0.000 0.000 0.261 393 M C 1.931 178.124 176.300 -0.178 0.000 1.066 393 M CA 1.550 56.752 55.300 -0.164 0.000 1.107 393 M CB -0.220 32.348 32.600 -0.053 0.000 1.356 393 M HN -0.034 nan 8.290 nan 0.000 0.406 394 Q N -1.589 118.139 119.800 -0.120 0.000 2.172 394 Q HA -0.171 4.169 4.340 -0.000 0.000 0.200 394 Q C 2.107 177.819 176.000 -0.480 0.000 0.964 394 Q CA 1.212 56.860 55.803 -0.259 0.000 0.855 394 Q CB -0.305 28.345 28.738 -0.148 0.000 0.918 394 Q HN 0.654 nan 8.270 nan 0.000 0.444 395 H N 0.571 119.500 119.070 -0.235 0.000 2.353 395 H HA -0.089 4.467 4.556 -0.000 0.000 0.300 395 H C 2.218 177.281 175.328 -0.442 0.000 1.090 395 H CA 1.177 57.102 56.048 -0.205 0.000 1.327 395 H CB 0.004 29.821 29.762 0.093 0.000 1.383 395 H HN 0.234 nan 8.280 nan 0.000 0.508 396 L N 0.032 120.977 121.223 -0.462 0.000 2.046 396 L HA -0.154 4.186 4.340 -0.000 0.000 0.208 396 L C 2.720 179.380 176.870 -0.351 0.000 1.077 396 L CA 0.698 55.241 54.840 -0.496 0.000 0.747 396 L CB -0.494 41.241 42.059 -0.540 0.000 0.896 396 L HN 0.058 nan 8.230 nan 0.000 0.432 397 V N -0.580 119.128 119.914 -0.343 0.000 2.343 397 V HA -0.232 3.888 4.120 -0.000 0.000 0.247 397 V C 2.454 178.329 176.094 -0.364 0.000 1.051 397 V CA 1.439 63.563 62.300 -0.294 0.000 1.036 397 V CB -0.193 31.478 31.823 -0.253 0.000 0.654 397 V HN 0.195 nan 8.190 nan 0.000 0.451 398 V N -0.429 119.131 119.914 -0.591 0.000 2.343 398 V HA -0.298 3.821 4.120 -0.000 0.000 0.247 398 V C 2.410 178.166 176.094 -0.564 0.000 1.051 398 V CA 2.034 63.806 62.300 -0.881 0.000 1.036 398 V CB -0.666 30.308 31.823 -1.414 0.000 0.654 398 V HN 0.588 nan 8.190 nan 0.000 0.451 399 Q N -0.077 119.512 119.800 -0.352 0.000 2.172 399 Q HA -0.125 4.215 4.340 -0.000 0.000 0.200 399 Q C 2.282 178.201 176.000 -0.134 0.000 0.964 399 Q CA 1.883 57.580 55.803 -0.177 0.000 0.855 399 Q CB -0.180 28.522 28.738 -0.059 0.000 0.918 399 Q HN 0.836 nan 8.270 nan 0.000 0.444 400 T N -2.934 111.526 114.554 -0.156 0.000 3.037 400 T HA 0.148 4.497 4.350 -0.000 0.000 0.251 400 T C 0.977 175.616 174.700 -0.103 0.000 1.079 400 T CA -0.284 61.746 62.100 -0.118 0.000 1.067 400 T CB 0.282 69.074 68.868 -0.127 0.000 0.948 400 T HN -0.124 nan 8.240 nan 0.000 0.496 401 S N 2.316 117.954 115.700 -0.103 0.000 2.572 401 S HA 0.340 4.810 4.470 -0.000 0.000 0.279 401 S C -0.049 174.520 174.600 -0.052 0.000 1.341 401 S CA -0.376 57.787 58.200 -0.061 0.000 1.043 401 S CB 0.391 63.581 63.200 -0.016 0.000 0.887 401 S HN 0.323 nan 8.310 nan 0.000 0.516 402 K N 2.528 122.885 120.400 -0.071 0.000 2.323 402 K HA 0.329 4.648 4.320 -0.000 0.000 0.259 402 K C -2.362 174.140 176.600 -0.164 0.000 0.947 402 K CA -2.285 53.928 56.287 -0.123 0.000 0.819 402 K CB 1.351 33.768 32.500 -0.138 0.000 1.109 402 K HN 0.182 nan 8.250 nan 0.000 0.429 403 P HA -0.049 nan 4.420 nan 0.000 0.221 403 P C -0.124 176.885 177.300 -0.485 0.000 1.155 403 P CA 0.529 63.266 63.100 -0.605 0.000 0.812 403 P CB 0.264 31.193 31.700 -1.286 0.000 0.801 404 A N 0.491 123.052 122.820 -0.432 0.000 2.600 404 A HA -0.159 4.160 4.320 -0.000 0.000 0.244 404 A C 0.252 177.640 177.584 -0.327 0.000 1.016 404 A CA 1.106 52.872 52.037 -0.452 0.000 0.778 404 A CB -1.605 17.069 19.000 -0.543 0.000 0.920 404 A HN 0.565 nan 8.150 nan 0.000 0.513 405 H N -1.541 117.485 119.070 -0.073 0.000 3.642 405 H HA -0.168 4.387 4.556 -0.000 0.000 0.185 405 H C -0.621 174.727 175.328 0.034 0.000 0.992 405 H CA 0.521 56.575 56.048 0.009 0.000 1.216 405 H CB -1.286 28.508 29.762 0.054 0.000 1.055 405 H HN 0.450 nan 8.280 nan 0.000 0.351 406 L N 2.876 124.146 121.223 0.078 0.000 2.262 406 L HA 0.278 4.618 4.340 -0.000 0.000 0.288 406 L C 0.104 177.171 176.870 0.327 0.000 1.035 406 L CA -0.195 54.640 54.840 -0.008 0.000 0.820 406 L CB 0.920 42.732 42.059 -0.412 0.000 1.204 406 L HN 0.164 nan 8.230 nan 0.000 0.424 407 N N 3.632 122.541 118.700 0.348 0.000 2.488 407 N HA 0.699 5.439 4.740 -0.000 0.000 0.274 407 N C -0.409 175.390 175.510 0.481 0.000 1.111 407 N CA -0.144 53.153 53.050 0.411 0.000 0.974 407 N CB 1.916 40.566 38.487 0.272 0.000 1.089 407 N HN 0.638 nan 8.380 nan 0.000 0.465 408 A N 1.180 124.235 122.820 0.392 0.000 2.612 408 A HA 0.381 4.701 4.320 -0.000 0.000 0.293 408 A C -0.771 176.872 177.584 0.098 0.000 1.075 408 A CA -0.697 51.410 52.037 0.117 0.000 0.680 408 A CB 0.957 19.834 19.000 -0.205 0.000 1.279 408 A HN 0.487 nan 8.150 nan 0.000 0.411 409 D N 0.542 120.952 120.400 0.016 0.000 2.328 409 D HA 0.113 4.753 4.640 -0.000 0.000 0.221 409 D C 0.236 176.551 176.300 0.025 0.000 1.072 409 D CA 0.953 54.980 54.000 0.046 0.000 0.850 409 D CB 0.519 41.336 40.800 0.029 0.000 0.922 409 D HN 0.549 nan 8.370 nan 0.000 0.516 410 D N -1.094 119.280 120.400 -0.044 0.000 2.599 410 D HA -0.052 4.588 4.640 -0.000 0.000 0.249 410 D C -0.409 175.896 176.300 0.008 0.000 1.313 410 D CA -0.630 53.361 54.000 -0.014 0.000 0.815 410 D CB -0.889 39.898 40.800 -0.021 0.000 1.077 410 D HN 0.107 nan 8.370 nan 0.000 0.492 411 W N 1.656 122.997 121.300 0.069 0.000 2.397 411 W HA 0.419 5.079 4.660 -0.000 0.000 0.327 411 W C 0.517 177.051 176.519 0.025 0.000 1.421 411 W CA -0.173 57.196 57.345 0.040 0.000 1.288 411 W CB 0.854 30.337 29.460 0.038 0.000 1.312 411 W HN 0.100 nan 8.180 nan 0.000 0.559 412 A N 2.835 125.826 122.820 0.285 0.000 2.475 412 A HA 0.726 5.046 4.320 -0.000 0.000 0.301 412 A C -0.669 176.994 177.584 0.132 0.000 1.059 412 A CA -0.750 51.388 52.037 0.170 0.000 0.710 412 A CB 1.228 20.308 19.000 0.133 0.000 1.288 412 A HN 0.307 nan 8.150 nan 0.000 0.408 413 T N 2.761 117.372 114.554 0.094 0.000 2.799 413 T HA 0.432 4.782 4.350 -0.000 0.000 0.286 413 T C 0.449 175.188 174.700 0.064 0.000 0.973 413 T CA -0.421 61.721 62.100 0.070 0.000 1.035 413 T CB 0.494 69.391 68.868 0.049 0.000 0.932 413 T HN 0.859 nan 8.240 nan 0.000 0.469 414 N N 1.566 120.309 118.700 0.073 0.000 2.476 414 N HA 0.336 5.076 4.740 -0.000 0.000 0.287 414 N C 1.671 177.221 175.510 0.067 0.000 1.262 414 N CA -0.493 52.605 53.050 0.078 0.000 0.980 414 N CB -0.280 38.276 38.487 0.116 0.000 1.163 414 N HN 0.490 nan 8.380 nan 0.000 0.592 415 G N -1.542 107.292 108.800 0.056 0.000 2.537 415 G HA2 -0.157 3.803 3.960 -0.000 0.000 0.220 415 G HA3 -0.157 3.803 3.960 -0.000 0.000 0.220 415 G C 0.774 175.702 174.900 0.046 0.000 1.111 415 G CA 1.291 46.412 45.100 0.035 0.000 0.748 415 G HN 0.727 nan 8.290 nan 0.000 0.564 416 V N -3.715 116.243 119.914 0.074 0.000 3.214 416 V HA 0.660 4.780 4.120 -0.000 0.000 0.330 416 V C 1.411 177.545 176.094 0.066 0.000 1.403 416 V CA 0.276 62.619 62.300 0.071 0.000 1.143 416 V CB -0.316 31.564 31.823 0.095 0.000 1.098 416 V HN 0.926 nan 8.190 nan 0.000 0.463 417 G N 0.954 109.790 108.800 0.060 0.000 2.179 417 G HA2 -0.267 3.693 3.960 -0.000 0.000 0.260 417 G HA3 -0.267 3.693 3.960 -0.000 0.000 0.260 417 G C 0.355 175.288 174.900 0.055 0.000 0.977 417 G CA 0.409 45.536 45.100 0.046 0.000 0.641 417 G HN 0.635 nan 8.290 nan 0.000 0.533 418 R N 0.338 120.897 120.500 0.098 0.000 2.404 418 R HA 0.477 4.816 4.340 -0.000 0.000 0.291 418 R C 0.171 176.541 176.300 0.116 0.000 1.025 418 R CA -0.516 55.661 56.100 0.128 0.000 0.991 418 R CB 0.846 31.288 30.300 0.237 0.000 1.053 418 R HN 0.154 nan 8.270 nan 0.000 0.479 419 K N 1.926 122.372 120.400 0.077 0.000 2.234 419 K HA 0.300 4.619 4.320 -0.000 0.000 0.282 419 K C -0.638 176.073 176.600 0.185 0.000 1.039 419 K CA -0.374 55.971 56.287 0.095 0.000 0.928 419 K CB 1.283 33.736 32.500 -0.078 0.000 1.039 419 K HN 0.250 nan 8.250 nan 0.000 0.470 420 V N 0.232 120.222 119.914 0.127 0.000 2.962 420 V HA 0.553 4.673 4.120 -0.000 0.000 0.313 420 V C -0.588 175.323 176.094 -0.306 0.000 1.099 420 V CA -1.010 61.116 62.300 -0.290 0.000 0.971 420 V CB 1.833 33.054 31.823 -1.003 0.000 1.028 420 V HN 0.751 nan 8.190 nan 0.000 0.430 421 S N -0.424 114.885 115.700 -0.651 0.000 2.541 421 S HA 0.559 5.029 4.470 -0.000 0.000 0.280 421 S C 0.051 174.401 174.600 -0.416 0.000 1.112 421 S CA -0.476 57.308 58.200 -0.692 0.000 0.925 421 S CB 1.477 63.827 63.200 -1.417 0.000 1.067 421 S HN 0.825 nan 8.310 nan 0.000 0.479 422 H N 2.023 120.981 119.070 -0.187 0.000 2.546 422 H HA 0.213 4.769 4.556 -0.000 0.000 0.277 422 H C 1.675 176.872 175.328 -0.218 0.000 1.004 422 H CA 1.310 57.310 56.048 -0.081 0.000 1.231 422 H CB 0.345 30.062 29.762 -0.074 0.000 1.382 422 H HN 0.409 nan 8.280 nan 0.000 0.580 423 S N -1.073 114.423 115.700 -0.340 0.000 2.483 423 S HA 0.069 4.539 4.470 -0.000 0.000 0.221 423 S C 0.504 174.743 174.600 -0.602 0.000 1.030 423 S CA 0.257 58.120 58.200 -0.561 0.000 0.925 423 S CB 0.327 62.976 63.200 -0.918 0.000 0.795 423 S HN 0.501 nan 8.310 nan 0.000 0.511 424 Y N 0.547 120.693 120.300 -0.256 0.000 2.563 424 Y HA 0.381 4.930 4.550 -0.000 0.000 0.250 424 Y C 1.586 177.404 175.900 -0.136 0.000 1.126 424 Y CA -0.251 57.747 58.100 -0.171 0.000 1.231 424 Y CB 0.380 38.760 38.460 -0.134 0.000 1.288 424 Y HN 0.292 nan 8.280 nan 0.000 0.537 425 G N 1.170 109.914 108.800 -0.093 0.000 2.583 425 G HA2 -0.410 3.549 3.960 -0.000 0.000 0.292 425 G HA3 -0.410 3.549 3.960 -0.000 0.000 0.292 425 G C 0.270 175.030 174.900 -0.234 0.000 1.203 425 G CA 0.888 45.895 45.100 -0.155 0.000 0.987 425 G HN 0.354 nan 8.290 nan 0.000 0.554 426 Y N 2.896 123.186 120.300 -0.017 0.000 2.490 426 Y HA 0.419 4.969 4.550 -0.000 0.000 0.281 426 Y C 1.851 177.832 175.900 0.135 0.000 1.174 426 Y CA 1.747 59.867 58.100 0.034 0.000 1.295 426 Y CB 0.110 38.516 38.460 -0.090 0.000 1.062 426 Y HN 1.589 nan 8.280 nan 0.000 0.522 427 G N -0.161 108.809 108.800 0.283 0.000 2.331 427 G HA2 -0.099 3.861 3.960 -0.000 0.000 0.479 427 G HA3 -0.099 3.861 3.960 -0.000 0.000 0.479 427 G C -1.712 173.212 174.900 0.040 0.000 1.262 427 G CA -1.064 44.166 45.100 0.217 0.000 1.029 427 G HN -0.016 nan 8.290 nan 0.000 0.487 428 L N 0.650 121.832 121.223 -0.069 0.000 2.416 428 L HA 0.604 4.944 4.340 -0.000 0.000 0.272 428 L C 0.957 177.773 176.870 -0.090 0.000 1.161 428 L CA -0.329 54.429 54.840 -0.137 0.000 0.845 428 L CB 0.531 42.460 42.059 -0.216 0.000 1.119 428 L HN 0.548 nan 8.230 nan 0.000 0.464 429 L N 3.973 125.145 121.223 -0.085 0.000 2.456 429 L HA 0.139 4.479 4.340 -0.000 0.000 0.272 429 L C -0.118 176.711 176.870 -0.070 0.000 1.189 429 L CA 0.190 54.987 54.840 -0.073 0.000 0.846 429 L CB 0.376 42.396 42.059 -0.065 0.000 1.111 429 L HN 0.629 nan 8.230 nan 0.000 0.475 430 D N 1.793 122.147 120.400 -0.077 0.000 2.420 430 D HA 0.325 4.965 4.640 -0.000 0.000 0.255 430 D C 0.581 176.828 176.300 -0.089 0.000 1.185 430 D CA -0.286 53.671 54.000 -0.073 0.000 0.904 430 D CB 1.813 42.571 40.800 -0.071 0.000 1.102 430 D HN 0.547 nan 8.370 nan 0.000 0.534 431 A N 3.175 125.937 122.820 -0.097 0.000 1.873 431 A HA -0.108 4.212 4.320 -0.000 0.000 0.218 431 A C 2.031 179.550 177.584 -0.108 0.000 1.193 431 A CA 2.168 54.135 52.037 -0.117 0.000 0.629 431 A CB -0.977 17.927 19.000 -0.159 0.000 0.826 431 A HN 0.593 nan 8.150 nan 0.000 0.447 432 G N -0.698 108.045 108.800 -0.095 0.000 2.491 432 G HA2 -0.064 3.896 3.960 -0.000 0.000 0.218 432 G HA3 -0.064 3.896 3.960 -0.000 0.000 0.218 432 G C 1.806 176.671 174.900 -0.058 0.000 1.180 432 G CA 1.865 46.926 45.100 -0.065 0.000 0.774 432 G HN 0.933 nan 8.290 nan 0.000 0.562 433 A N 0.219 123.000 122.820 -0.065 0.000 1.902 433 A HA 0.020 4.340 4.320 -0.000 0.000 0.217 433 A C 2.475 180.004 177.584 -0.091 0.000 1.181 433 A CA 2.007 54.005 52.037 -0.066 0.000 0.623 433 A CB -0.361 18.598 19.000 -0.068 0.000 0.818 433 A HN 0.306 nan 8.150 nan 0.000 0.443 434 M N -0.618 118.912 119.600 -0.117 0.000 2.065 434 M HA -0.139 4.341 4.480 -0.000 0.000 0.259 434 M C 2.276 178.469 176.300 -0.177 0.000 1.071 434 M CA 1.500 56.705 55.300 -0.158 0.000 1.109 434 M CB -1.276 31.228 32.600 -0.160 0.000 1.313 434 M HN 0.251 nan 8.290 nan 0.000 0.408 435 V N 0.419 120.228 119.914 -0.175 0.000 2.332 435 V HA -0.267 3.853 4.120 -0.000 0.000 0.248 435 V C 2.650 178.645 176.094 -0.164 0.000 1.055 435 V CA 1.879 64.031 62.300 -0.245 0.000 1.038 435 V CB -1.110 30.588 31.823 -0.209 0.000 0.651 435 V HN 0.529 nan 8.190 nan 0.000 0.450 436 A N -0.387 122.389 122.820 -0.073 0.000 1.877 436 A HA -0.193 4.127 4.320 -0.000 0.000 0.216 436 A C 2.120 179.695 177.584 -0.016 0.000 1.186 436 A CA 2.088 54.113 52.037 -0.019 0.000 0.620 436 A CB -0.607 18.390 19.000 -0.005 0.000 0.822 436 A HN 0.458 nan 8.150 nan 0.000 0.443 437 L N -0.378 120.826 121.223 -0.032 0.000 2.201 437 L HA 0.068 4.408 4.340 -0.000 0.000 0.212 437 L C 2.535 179.424 176.870 0.032 0.000 1.105 437 L CA 1.818 56.669 54.840 0.019 0.000 0.775 437 L CB -0.749 41.304 42.059 -0.011 0.000 0.913 437 L HN 0.337 nan 8.230 nan 0.000 0.440 438 A N -0.960 121.807 122.820 -0.089 0.000 1.933 438 A HA -0.224 4.096 4.320 -0.000 0.000 0.218 438 A C 2.126 179.710 177.584 0.000 0.000 1.175 438 A CA 1.659 53.629 52.037 -0.112 0.000 0.628 438 A CB -0.432 18.433 19.000 -0.226 0.000 0.814 438 A HN 0.660 nan 8.150 nan 0.000 0.444 439 Q N -0.471 119.319 119.800 -0.017 0.000 2.046 439 Q HA -0.121 4.219 4.340 -0.000 0.000 0.200 439 Q C 1.016 177.060 176.000 0.075 0.000 0.975 439 Q CA 1.195 57.012 55.803 0.024 0.000 0.836 439 Q CB -0.247 28.512 28.738 0.035 0.000 0.896 439 Q HN 0.751 nan 8.270 nan 0.000 0.428 440 N N 0.176 118.932 118.700 0.093 0.000 3.322 440 N HA 0.021 4.761 4.740 -0.000 0.000 0.290 440 N C -1.556 174.051 175.510 0.161 0.000 1.297 440 N CA -0.260 52.843 53.050 0.090 0.000 1.167 440 N CB 0.319 38.840 38.487 0.058 0.000 1.434 440 N HN 0.219 nan 8.380 nan 0.000 0.526 441 W N 2.302 123.573 121.300 -0.047 0.000 2.839 441 W HA 0.295 4.955 4.660 -0.000 0.000 0.334 441 W C -1.323 175.164 176.519 -0.053 0.000 1.064 441 W CA -0.375 56.937 57.345 -0.055 0.000 1.236 441 W CB 1.866 31.289 29.460 -0.062 0.000 1.405 441 W HN -0.017 nan 8.180 nan 0.000 0.478 442 T N 3.586 117.670 114.554 -0.784 0.000 2.744 442 T HA 0.072 4.421 4.350 -0.000 0.000 0.291 442 T C 0.312 174.631 174.700 -0.634 0.000 0.957 442 T CA 0.051 61.829 62.100 -0.536 0.000 1.002 442 T CB 1.347 69.944 68.868 -0.451 0.000 0.919 442 T HN 0.374 nan 8.240 nan 0.000 0.468 443 T N 3.686 118.139 114.554 -0.167 0.000 2.905 443 T HA 0.127 4.477 4.350 -0.000 0.000 0.299 443 T C 0.871 175.519 174.700 -0.086 0.000 1.024 443 T CA -0.438 61.678 62.100 0.026 0.000 1.151 443 T CB -0.178 68.727 68.868 0.062 0.000 0.987 443 T HN 0.521 nan 8.240 nan 0.000 0.535 444 V N 3.706 123.617 119.914 -0.006 0.000 3.139 444 V HA 0.604 4.723 4.120 -0.000 0.000 0.307 444 V C 0.905 176.959 176.094 -0.065 0.000 1.095 444 V CA -0.749 61.492 62.300 -0.098 0.000 1.160 444 V CB -0.487 31.281 31.823 -0.091 0.000 1.003 444 V HN 1.110 nan 8.190 nan 0.000 0.489 445 A N 4.629 127.401 122.820 -0.081 0.000 2.429 445 A HA 0.520 4.840 4.320 -0.000 0.000 0.242 445 A C -1.592 175.984 177.584 -0.013 0.000 1.088 445 A CA -0.926 51.083 52.037 -0.047 0.000 0.784 445 A CB -0.916 18.051 19.000 -0.055 0.000 1.038 445 A HN 0.983 nan 8.150 nan 0.000 0.501 446 P HA -0.021 nan 4.420 nan 0.000 0.266 446 P C -0.616 176.711 177.300 0.046 0.000 1.195 446 P CA 0.063 63.185 63.100 0.037 0.000 0.768 446 P CB 0.318 32.045 31.700 0.044 0.000 0.838 447 Q N 3.117 122.967 119.800 0.083 0.000 2.297 447 Q HA 0.063 4.403 4.340 -0.000 0.000 0.267 447 Q C -0.294 175.782 176.000 0.127 0.000 1.006 447 Q CA -0.204 55.668 55.803 0.115 0.000 0.896 447 Q CB 0.452 29.303 28.738 0.189 0.000 1.186 447 Q HN 0.296 nan 8.270 nan 0.000 0.392 448 R N 3.499 124.050 120.500 0.086 0.000 2.598 448 R HA 0.433 4.773 4.340 -0.000 0.000 0.279 448 R C -0.695 175.616 176.300 0.019 0.000 0.984 448 R CA -0.599 55.528 56.100 0.045 0.000 0.999 448 R CB 1.170 31.468 30.300 -0.004 0.000 1.114 448 R HN 0.546 nan 8.270 nan 0.000 0.493 449 K N 1.092 121.454 120.400 -0.064 0.000 2.579 449 K HA 0.239 4.559 4.320 -0.000 0.000 0.250 449 K C -1.485 174.972 176.600 -0.238 0.000 0.952 449 K CA -0.408 55.716 56.287 -0.271 0.000 0.857 449 K CB 1.337 33.695 32.500 -0.236 0.000 1.123 449 K HN 0.625 nan 8.250 nan 0.000 0.433 450 c N 7.151 125.587 118.600 -0.272 0.000 2.264 450 c HA 0.560 5.130 4.570 -0.000 0.000 0.324 450 c C -0.212 173.735 174.090 -0.239 0.000 1.267 450 c CA -0.739 55.473 56.329 -0.194 0.000 1.618 450 c CB -0.767 41.662 42.510 -0.134 0.000 2.278 450 c HN 0.809 nan 8.230 nan 0.000 0.499 451 I N 6.489 126.941 120.570 -0.196 0.000 2.321 451 I HA 0.465 4.635 4.170 -0.000 0.000 0.291 451 I C -0.117 175.894 176.117 -0.177 0.000 0.998 451 I CA -0.135 61.047 61.300 -0.196 0.000 1.227 451 I CB 1.482 39.388 38.000 -0.157 0.000 1.368 451 I HN 0.460 nan 8.210 nan 0.000 0.466 452 V N 6.382 126.165 119.914 -0.218 0.000 2.525 452 V HA 0.372 4.492 4.120 -0.000 0.000 0.299 452 V C -0.438 175.501 176.094 -0.258 0.000 1.034 452 V CA -0.376 61.794 62.300 -0.217 0.000 0.863 452 V CB 1.844 33.527 31.823 -0.233 0.000 0.999 452 V HN 0.758 nan 8.190 nan 0.000 0.423 453 E N 6.727 126.811 120.200 -0.194 0.000 2.166 453 E HA 0.230 4.580 4.350 -0.000 0.000 0.279 453 E C 0.483 176.951 176.600 -0.219 0.000 1.095 453 E CA -0.411 55.879 56.400 -0.184 0.000 0.888 453 E CB 1.281 30.918 29.700 -0.106 0.000 1.041 453 E HN 0.637 nan 8.360 nan 0.000 0.414 454 I N 2.769 123.132 120.570 -0.344 0.000 2.339 454 I HA -0.032 4.137 4.170 -0.000 0.000 0.245 454 I C 0.702 176.755 176.117 -0.106 0.000 1.096 454 I CA 0.927 62.027 61.300 -0.334 0.000 1.408 454 I CB -0.757 36.774 38.000 -0.782 0.000 1.092 454 I HN 0.410 nan 8.210 nan 0.000 0.423 455 L N -2.246 118.958 121.223 -0.031 0.000 2.526 455 L HA 0.526 4.866 4.340 -0.000 0.000 0.263 455 L C -0.280 176.620 176.870 0.049 0.000 0.943 455 L CA -0.307 54.560 54.840 0.044 0.000 0.859 455 L CB 1.783 43.911 42.059 0.115 0.000 1.313 455 L HN -0.245 nan 8.230 nan 0.000 0.406 456 V N -0.045 119.889 119.914 0.034 0.000 3.612 456 V HA 0.320 4.439 4.120 -0.000 0.000 0.268 456 V C 0.461 176.579 176.094 0.041 0.000 1.365 456 V CA 0.378 62.698 62.300 0.033 0.000 1.044 456 V CB 0.472 32.303 31.823 0.014 0.000 0.820 456 V HN 0.870 nan 8.190 nan 0.000 0.444 457 E N 1.791 122.016 120.200 0.042 0.000 2.167 457 E HA 0.356 4.706 4.350 -0.000 0.000 0.284 457 E C -2.610 174.023 176.600 0.055 0.000 1.016 457 E CA -2.490 53.935 56.400 0.042 0.000 0.817 457 E CB 1.145 30.866 29.700 0.035 0.000 1.080 457 E HN 0.188 nan 8.360 nan 0.000 0.397 458 P HA -0.031 nan 4.420 nan 0.000 0.267 458 P C -1.124 176.214 177.300 0.063 0.000 1.195 458 P CA 0.515 63.653 63.100 0.064 0.000 0.773 458 P CB 0.446 32.182 31.700 0.059 0.000 0.837 459 K N 1.342 121.784 120.400 0.070 0.000 2.501 459 K HA 0.259 4.578 4.320 -0.000 0.000 0.252 459 K C -1.228 175.417 176.600 0.076 0.000 0.934 459 K CA -0.838 55.489 56.287 0.067 0.000 0.797 459 K CB 1.921 34.459 32.500 0.065 0.000 1.270 459 K HN 0.358 nan 8.250 nan 0.000 0.431 460 D N 2.777 123.222 120.400 0.075 0.000 2.343 460 D HA 0.112 4.752 4.640 -0.000 0.000 0.255 460 D C 0.818 177.176 176.300 0.096 0.000 1.187 460 D CA -0.009 54.047 54.000 0.093 0.000 0.875 460 D CB 0.685 41.534 40.800 0.082 0.000 1.136 460 D HN 0.440 nan 8.370 nan 0.000 0.469 461 I N 3.286 123.933 120.570 0.129 0.000 2.193 461 I HA 0.037 4.207 4.170 -0.000 0.000 0.240 461 I C 2.021 178.220 176.117 0.136 0.000 1.084 461 I CA 0.830 62.200 61.300 0.116 0.000 1.365 461 I CB -0.837 37.248 38.000 0.140 0.000 1.064 461 I HN 0.756 nan 8.210 nan 0.000 0.410 462 G N 1.361 110.280 108.800 0.198 0.000 2.622 462 G HA2 -0.474 3.486 3.960 -0.000 0.000 0.307 462 G HA3 -0.474 3.486 3.960 -0.000 0.000 0.307 462 G C 0.927 175.932 174.900 0.175 0.000 1.226 462 G CA 1.081 46.283 45.100 0.170 0.000 0.997 462 G HN 0.294 nan 8.290 nan 0.000 0.551 463 K N 0.611 121.077 120.400 0.110 0.000 2.166 463 K HA 0.245 4.565 4.320 -0.000 0.000 0.201 463 K C 1.232 177.864 176.600 0.054 0.000 1.052 463 K CA 1.645 57.984 56.287 0.088 0.000 0.969 463 K CB 0.106 32.642 32.500 0.060 0.000 0.761 463 K HN 0.711 nan 8.250 nan 0.000 0.459 464 R N -0.474 120.050 120.500 0.040 0.000 2.594 464 R HA 0.401 4.741 4.340 -0.000 0.000 0.265 464 R C -2.205 174.103 176.300 0.012 0.000 1.070 464 R CA -0.811 55.296 56.100 0.011 0.000 0.909 464 R CB 0.924 31.226 30.300 0.004 0.000 1.243 464 R HN 0.073 nan 8.270 nan 0.000 0.455 465 L N 1.994 123.214 121.223 -0.006 0.000 2.455 465 L HA 0.560 4.900 4.340 -0.000 0.000 0.264 465 L C -1.557 175.306 176.870 -0.011 0.000 0.968 465 L CA -0.176 54.664 54.840 -0.001 0.000 0.827 465 L CB 2.068 44.126 42.059 -0.002 0.000 1.317 465 L HN 0.777 nan 8.230 nan 0.000 0.407 466 E N 3.767 123.971 120.200 0.007 0.000 2.246 466 E HA 0.625 4.975 4.350 -0.000 0.000 0.266 466 E C -1.928 174.697 176.600 0.041 0.000 0.880 466 E CA -0.674 55.734 56.400 0.014 0.000 0.762 466 E CB 2.132 31.841 29.700 0.015 0.000 1.180 466 E HN 0.529 nan 8.360 nan 0.000 0.416 467 V N 5.153 125.105 119.914 0.064 0.000 2.409 467 V HA 0.482 4.602 4.120 -0.000 0.000 0.291 467 V C -0.178 176.014 176.094 0.164 0.000 1.020 467 V CA -0.660 61.714 62.300 0.124 0.000 0.848 467 V CB 1.491 33.428 31.823 0.189 0.000 0.990 467 V HN 0.630 nan 8.190 nan 0.000 0.430 468 R N 3.251 123.832 120.500 0.134 0.000 2.514 468 R HA 0.798 5.137 4.340 -0.000 0.000 0.301 468 R C -0.873 175.505 176.300 0.129 0.000 0.962 468 R CA -0.932 55.249 56.100 0.135 0.000 0.882 468 R CB 2.114 32.467 30.300 0.088 0.000 1.143 468 R HN 0.559 nan 8.270 nan 0.000 0.452 469 K N 1.102 121.591 120.400 0.149 0.000 2.550 469 K HA 0.442 4.762 4.320 -0.000 0.000 0.252 469 K C -1.667 175.011 176.600 0.130 0.000 0.943 469 K CA -0.391 55.959 56.287 0.106 0.000 0.806 469 K CB 2.111 34.644 32.500 0.055 0.000 1.289 469 K HN 0.674 nan 8.250 nan 0.000 0.435 470 A N 3.144 126.017 122.820 0.088 0.000 2.362 470 A HA 0.558 4.878 4.320 -0.000 0.000 0.276 470 A C -0.742 176.899 177.584 0.096 0.000 1.153 470 A CA -0.401 51.692 52.037 0.094 0.000 0.813 470 A CB 0.358 19.392 19.000 0.056 0.000 1.081 470 A HN 0.399 nan 8.150 nan 0.000 0.507 471 V N 2.819 122.827 119.914 0.158 0.000 2.495 471 V HA 0.395 4.515 4.120 -0.000 0.000 0.298 471 V C 1.196 177.363 176.094 0.122 0.000 1.031 471 V CA 0.262 62.640 62.300 0.130 0.000 0.871 471 V CB 1.713 33.652 31.823 0.193 0.000 0.988 471 V HN 1.070 nan 8.190 nan 0.000 0.432 472 T N 0.475 115.072 114.554 0.072 0.000 3.086 472 T HA 0.320 4.670 4.350 -0.000 0.000 0.250 472 T C 0.993 175.763 174.700 0.116 0.000 1.074 472 T CA 0.475 62.620 62.100 0.075 0.000 0.988 472 T CB 0.198 69.082 68.868 0.027 0.000 0.988 472 T HN 1.848 nan 8.240 nan 0.000 0.530 473 A N 0.077 122.954 122.820 0.095 0.000 2.687 473 A HA -0.147 4.172 4.320 -0.000 0.000 0.299 473 A C 1.198 178.871 177.584 0.147 0.000 1.497 473 A CA 0.179 52.273 52.037 0.095 0.000 0.751 473 A CB -2.886 16.188 19.000 0.122 0.000 1.048 473 A HN 1.436 nan 8.150 nan 0.000 0.464 474 c N -2.955 115.688 118.600 0.071 0.000 4.454 474 c HA -0.160 4.409 4.570 -0.000 0.000 0.298 474 c C 0.843 174.972 174.090 0.065 0.000 1.384 474 c CA 0.508 56.871 56.329 0.057 0.000 2.002 474 c CB -2.775 39.761 42.510 0.043 0.000 1.249 474 c HN 2.015 nan 8.230 nan 0.000 0.783 475 L N 0.982 122.192 121.223 -0.021 0.000 2.540 475 L HA 0.484 4.824 4.340 -0.000 0.000 0.276 475 L C 1.344 178.072 176.870 -0.237 0.000 1.212 475 L CA 2.327 56.954 54.840 -0.355 0.000 0.893 475 L CB 0.371 42.275 42.059 -0.258 0.000 1.138 475 L HN 1.106 nan 8.230 nan 0.000 0.491 476 G N 2.550 111.177 108.800 -0.287 0.000 2.179 476 G HA2 -0.231 3.729 3.960 -0.000 0.000 0.260 476 G HA3 -0.231 3.729 3.960 -0.000 0.000 0.260 476 G C 0.177 175.037 174.900 -0.068 0.000 0.977 476 G CA 0.443 45.460 45.100 -0.139 0.000 0.641 476 G HN 0.671 nan 8.290 nan 0.000 0.533 477 E N -0.410 119.767 120.200 -0.039 0.000 2.320 477 E HA 0.456 4.806 4.350 -0.000 0.000 0.264 477 E C -1.874 174.747 176.600 0.034 0.000 0.923 477 E CA -2.112 54.287 56.400 -0.002 0.000 0.796 477 E CB 1.727 31.425 29.700 -0.003 0.000 1.262 477 E HN -0.031 nan 8.360 nan 0.000 0.428 478 P HA -0.105 nan 4.420 nan 0.000 0.219 478 P C 0.401 177.726 177.300 0.043 0.000 1.146 478 P CA 1.033 64.153 63.100 0.034 0.000 0.808 478 P CB 0.224 31.936 31.700 0.021 0.000 0.779 479 N N -1.587 117.135 118.700 0.037 0.000 2.276 479 N HA -0.027 4.713 4.740 -0.000 0.000 0.212 479 N C 0.236 175.772 175.510 0.045 0.000 1.127 479 N CA -0.017 53.046 53.050 0.021 0.000 0.834 479 N CB -0.582 37.895 38.487 -0.016 0.000 1.014 479 N HN 0.278 nan 8.380 nan 0.000 0.491 480 H N 1.267 120.322 119.070 -0.025 0.000 3.034 480 H HA 0.118 4.674 4.556 -0.000 0.000 0.324 480 H C -0.174 175.144 175.328 -0.018 0.000 1.015 480 H CA 0.756 56.791 56.048 -0.021 0.000 1.429 480 H CB 0.198 29.951 29.762 -0.014 0.000 1.429 480 H HN 0.043 nan 8.280 nan 0.000 0.585 481 I N 4.254 124.603 120.570 -0.369 0.000 2.509 481 I HA 0.162 4.331 4.170 -0.000 0.000 0.293 481 I C 0.715 176.580 176.117 -0.420 0.000 1.020 481 I CA -0.224 60.878 61.300 -0.331 0.000 1.088 481 I CB 2.274 40.189 38.000 -0.142 0.000 1.267 481 I HN 0.838 nan 8.210 nan 0.000 0.430 482 T N 0.942 115.310 114.554 -0.311 0.000 3.016 482 T HA 0.258 4.607 4.350 -0.000 0.000 0.271 482 T C 0.548 175.190 174.700 -0.097 0.000 0.968 482 T CA -0.230 61.754 62.100 -0.193 0.000 0.891 482 T CB 0.307 69.071 68.868 -0.174 0.000 1.149 482 T HN 0.502 nan 8.240 nan 0.000 0.524 483 R N 1.247 121.685 120.500 -0.104 0.000 2.507 483 R HA 0.556 4.896 4.340 -0.000 0.000 0.298 483 R C -1.085 175.139 176.300 -0.127 0.000 1.087 483 R CA -0.635 55.416 56.100 -0.082 0.000 0.917 483 R CB 1.000 31.259 30.300 -0.069 0.000 1.173 483 R HN 0.266 nan 8.270 nan 0.000 0.472 484 L N 3.046 124.199 121.223 -0.118 0.000 2.464 484 L HA 0.199 4.539 4.340 -0.000 0.000 0.264 484 L C 0.989 177.545 176.870 -0.525 0.000 1.199 484 L CA 0.450 55.181 54.840 -0.180 0.000 0.818 484 L CB 0.919 42.965 42.059 -0.023 0.000 1.102 484 L HN 0.724 nan 8.230 nan 0.000 0.473 485 E N -0.592 119.232 120.200 -0.627 0.000 4.072 485 E HA 0.229 4.579 4.350 -0.000 0.000 0.247 485 E C -0.764 175.407 176.600 -0.714 0.000 1.033 485 E CA -0.801 54.732 56.400 -1.444 0.000 1.019 485 E CB 0.373 29.371 29.700 -1.169 0.000 2.662 485 E HN 0.519 nan 8.360 nan 0.000 0.514 486 H N 0.112 119.049 119.070 -0.221 0.000 2.629 486 H HA 0.355 4.911 4.556 -0.000 0.000 0.357 486 H C -0.707 174.701 175.328 0.133 0.000 1.121 486 H CA -0.175 55.911 56.048 0.063 0.000 1.406 486 H CB 0.932 30.688 29.762 -0.011 0.000 1.456 486 H HN -0.086 nan 8.280 nan 0.000 0.579 487 V N 3.017 123.075 119.914 0.241 0.000 2.531 487 V HA 0.229 4.349 4.120 -0.000 0.000 0.301 487 V C -0.580 175.578 176.094 0.107 0.000 1.034 487 V CA -0.775 61.611 62.300 0.143 0.000 0.865 487 V CB 1.581 33.490 31.823 0.142 0.000 0.995 487 V HN 0.758 nan 8.190 nan 0.000 0.424 488 Q N 2.924 122.757 119.800 0.054 0.000 2.316 488 Q HA 0.769 5.108 4.340 -0.000 0.000 0.264 488 Q C -0.438 175.577 176.000 0.026 0.000 0.987 488 Q CA -0.627 55.190 55.803 0.024 0.000 0.852 488 Q CB 2.597 31.334 28.738 -0.001 0.000 1.287 488 Q HN 0.852 nan 8.270 nan 0.000 0.448 489 A N 3.479 126.359 122.820 0.100 0.000 2.316 489 A HA 0.369 4.689 4.320 -0.000 0.000 0.324 489 A C -0.468 177.251 177.584 0.225 0.000 1.375 489 A CA -0.649 51.521 52.037 0.222 0.000 0.882 489 A CB 0.290 19.384 19.000 0.155 0.000 1.152 489 A HN 0.666 nan 8.150 nan 0.000 0.512 490 R N 2.609 123.230 120.500 0.202 0.000 2.220 490 R HA 0.421 4.760 4.340 -0.000 0.000 0.340 490 R C -0.961 175.479 176.300 0.233 0.000 1.076 490 R CA 0.062 56.248 56.100 0.144 0.000 0.920 490 R CB 0.430 30.765 30.300 0.058 0.000 1.062 490 R HN 0.638 nan 8.270 nan 0.000 0.469 491 L N 2.045 123.416 121.223 0.246 0.000 2.334 491 L HA 0.515 4.855 4.340 -0.000 0.000 0.276 491 L C 0.047 177.071 176.870 0.255 0.000 1.014 491 L CA -0.737 54.238 54.840 0.225 0.000 0.815 491 L CB 2.235 44.391 42.059 0.163 0.000 1.268 491 L HN 0.456 nan 8.230 nan 0.000 0.428 492 T N 4.046 118.728 114.554 0.213 0.000 2.906 492 T HA 0.668 5.018 4.350 -0.000 0.000 0.302 492 T C -0.759 174.055 174.700 0.191 0.000 1.002 492 T CA -0.450 61.776 62.100 0.211 0.000 0.988 492 T CB 1.251 70.212 68.868 0.155 0.000 0.972 492 T HN 0.409 nan 8.240 nan 0.000 0.447 493 L N 0.606 121.966 121.223 0.228 0.000 2.479 493 L HA 1.010 5.350 4.340 -0.000 0.000 0.255 493 L C -0.498 176.475 176.870 0.172 0.000 1.026 493 L CA -0.998 53.955 54.840 0.189 0.000 0.842 493 L CB 1.828 44.000 42.059 0.188 0.000 1.444 493 L HN 0.478 nan 8.230 nan 0.000 0.409 494 S N -0.005 115.788 115.700 0.155 0.000 2.500 494 S HA 0.865 5.334 4.470 -0.000 0.000 0.301 494 S C -1.152 173.566 174.600 0.197 0.000 1.092 494 S CA -0.545 57.731 58.200 0.127 0.000 1.030 494 S CB 1.423 64.680 63.200 0.095 0.000 1.031 494 S HN 0.839 nan 8.310 nan 0.000 0.483 495 Y N 1.756 122.016 120.300 -0.067 0.000 2.609 495 Y HA 0.383 4.933 4.550 -0.000 0.000 0.336 495 Y C 0.712 176.476 175.900 -0.227 0.000 1.129 495 Y CA -1.124 56.891 58.100 -0.141 0.000 1.040 495 Y CB 1.630 40.034 38.460 -0.094 0.000 1.310 495 Y HN 0.786 nan 8.280 nan 0.000 0.460 496 N N 1.623 119.866 118.700 -0.762 0.000 2.333 496 N HA -0.034 4.706 4.740 -0.000 0.000 0.178 496 N C 0.192 175.539 175.510 -0.272 0.000 1.018 496 N CA 0.568 53.264 53.050 -0.590 0.000 0.882 496 N CB 0.409 38.264 38.487 -1.054 0.000 0.984 496 N HN 0.490 nan 8.380 nan 0.000 0.434 497 R N 0.761 121.157 120.500 -0.174 0.000 2.607 497 R HA 0.328 4.668 4.340 -0.000 0.000 0.278 497 R C 0.775 177.185 176.300 0.183 0.000 1.637 497 R CA -0.560 55.559 56.100 0.033 0.000 1.325 497 R CB 0.538 30.859 30.300 0.035 0.000 1.211 497 R HN -0.048 nan 8.270 nan 0.000 0.565 498 R N 2.098 122.654 120.500 0.093 0.000 2.096 498 R HA -0.122 4.218 4.340 -0.000 0.000 0.240 498 R C 1.419 177.728 176.300 0.015 0.000 1.139 498 R CA 2.368 58.491 56.100 0.038 0.000 0.952 498 R CB -0.423 29.795 30.300 -0.137 0.000 0.854 498 R HN 0.752 nan 8.270 nan 0.000 0.436 499 G N -0.295 108.483 108.800 -0.037 0.000 2.527 499 G HA2 -0.219 3.740 3.960 -0.000 0.000 0.219 499 G HA3 -0.219 3.740 3.960 -0.000 0.000 0.219 499 G C 0.651 175.518 174.900 -0.055 0.000 1.117 499 G CA 0.863 45.919 45.100 -0.074 0.000 0.759 499 G HN 0.350 nan 8.290 nan 0.000 0.556 500 D N -0.200 120.201 120.400 0.002 0.000 2.347 500 D HA 0.108 4.748 4.640 -0.000 0.000 0.213 500 D C 1.235 177.514 176.300 -0.034 0.000 0.985 500 D CA -0.024 53.985 54.000 0.015 0.000 0.879 500 D CB 0.207 41.074 40.800 0.112 0.000 0.919 500 D HN 0.239 nan 8.370 nan 0.000 0.526 501 L N 0.522 121.687 121.223 -0.097 0.000 2.395 501 L HA 0.452 4.792 4.340 -0.000 0.000 0.269 501 L C 0.236 177.020 176.870 -0.144 0.000 1.133 501 L CA -0.561 54.160 54.840 -0.197 0.000 0.812 501 L CB 1.111 43.001 42.059 -0.282 0.000 1.125 501 L HN -0.152 nan 8.230 nan 0.000 0.452 502 A N 4.692 127.415 122.820 -0.160 0.000 2.375 502 A HA 0.773 5.093 4.320 -0.000 0.000 0.295 502 A C -0.872 176.584 177.584 -0.212 0.000 1.066 502 A CA -0.403 51.536 52.037 -0.162 0.000 0.722 502 A CB 0.883 19.857 19.000 -0.044 0.000 1.206 502 A HN 0.600 nan 8.150 nan 0.000 0.435 503 I N 2.233 122.565 120.570 -0.397 0.000 2.465 503 I HA 0.475 4.645 4.170 -0.000 0.000 0.291 503 I C -0.715 175.067 176.117 -0.558 0.000 1.014 503 I CA -0.549 60.493 61.300 -0.429 0.000 1.093 503 I CB 2.076 39.701 38.000 -0.626 0.000 1.267 503 I HN 0.751 nan 8.210 nan 0.000 0.431 504 H N 4.863 123.798 119.070 -0.225 0.000 2.690 504 H HA 0.683 5.238 4.556 -0.000 0.000 0.368 504 H C -1.327 173.942 175.328 -0.099 0.000 1.150 504 H CA -0.709 55.253 56.048 -0.144 0.000 1.174 504 H CB 2.408 32.110 29.762 -0.099 0.000 1.684 504 H HN 0.343 nan 8.280 nan 0.000 0.538 505 L N 3.021 124.301 121.223 0.095 0.000 2.381 505 L HA 0.548 4.888 4.340 -0.000 0.000 0.274 505 L C -1.518 175.471 176.870 0.198 0.000 0.988 505 L CA -0.316 54.622 54.840 0.162 0.000 0.824 505 L CB 0.976 43.153 42.059 0.197 0.000 1.263 505 L HN 0.616 nan 8.230 nan 0.000 0.410 506 I N 3.955 124.635 120.570 0.183 0.000 2.389 506 I HA 0.414 4.584 4.170 -0.000 0.000 0.288 506 I C 0.246 176.285 176.117 -0.131 0.000 0.999 506 I CA -0.589 60.741 61.300 0.050 0.000 1.129 506 I CB 1.981 39.988 38.000 0.012 0.000 1.288 506 I HN 0.743 nan 8.210 nan 0.000 0.444 507 S N 5.435 120.911 115.700 -0.374 0.000 2.603 507 S HA 0.332 4.802 4.470 -0.000 0.000 0.268 507 S C -1.946 172.204 174.600 -0.750 0.000 1.317 507 S CA -1.048 56.509 58.200 -1.072 0.000 1.012 507 S CB 1.111 63.872 63.200 -0.731 0.000 0.926 507 S HN 0.378 nan 8.310 nan 0.000 0.539 508 P HA -0.091 nan 4.420 nan 0.000 0.216 508 P C 1.036 178.179 177.300 -0.262 0.000 1.150 508 P CA 1.510 64.338 63.100 -0.454 0.000 0.843 508 P CB -0.060 31.415 31.700 -0.375 0.000 0.787 509 M N -1.995 117.458 119.600 -0.246 0.000 2.639 509 M HA 0.180 4.660 4.480 -0.000 0.000 0.220 509 M C 0.977 177.217 176.300 -0.101 0.000 1.155 509 M CA 0.702 55.924 55.300 -0.130 0.000 1.003 509 M CB -0.661 31.888 32.600 -0.085 0.000 1.725 509 M HN 0.065 nan 8.290 nan 0.000 0.489 510 G N 0.355 109.076 108.800 -0.131 0.000 2.162 510 G HA2 -0.219 3.741 3.960 -0.000 0.000 0.260 510 G HA3 -0.219 3.741 3.960 -0.000 0.000 0.260 510 G C 0.127 175.002 174.900 -0.042 0.000 0.976 510 G CA 0.266 45.319 45.100 -0.078 0.000 0.655 510 G HN 0.423 nan 8.290 nan 0.000 0.533 511 T N 0.773 115.300 114.554 -0.046 0.000 2.737 511 T HA 0.425 4.775 4.350 -0.000 0.000 0.296 511 T C 0.584 175.316 174.700 0.053 0.000 0.922 511 T CA -0.093 62.023 62.100 0.027 0.000 1.079 511 T CB 1.089 69.993 68.868 0.061 0.000 0.892 511 T HN 0.460 nan 8.240 nan 0.000 0.514 512 R N 2.985 123.540 120.500 0.092 0.000 2.205 512 R HA 0.335 4.675 4.340 -0.000 0.000 0.342 512 R C -0.539 175.887 176.300 0.210 0.000 1.058 512 R CA -0.213 55.961 56.100 0.123 0.000 0.904 512 R CB 0.279 30.629 30.300 0.084 0.000 1.089 512 R HN 0.494 nan 8.270 nan 0.000 0.471 513 S N 2.347 118.158 115.700 0.186 0.000 2.480 513 S HA 0.190 4.660 4.470 -0.000 0.000 0.286 513 S C -0.465 174.213 174.600 0.130 0.000 1.180 513 S CA -0.488 57.811 58.200 0.165 0.000 1.075 513 S CB 1.843 65.059 63.200 0.027 0.000 0.996 513 S HN 0.508 nan 8.310 nan 0.000 0.487 514 T N 4.820 119.465 114.554 0.150 0.000 2.782 514 T HA 0.207 4.556 4.350 -0.000 0.000 0.298 514 T C 1.499 176.038 174.700 -0.268 0.000 0.944 514 T CA -0.232 61.652 62.100 -0.359 0.000 1.001 514 T CB -0.105 68.387 68.868 -0.627 0.000 0.932 514 T HN 0.447 nan 8.240 nan 0.000 0.524 515 L N 2.761 123.779 121.223 -0.343 0.000 2.156 515 L HA 0.190 4.530 4.340 -0.000 0.000 0.208 515 L C 0.478 177.178 176.870 -0.284 0.000 1.095 515 L CA 0.817 55.489 54.840 -0.281 0.000 0.770 515 L CB -0.061 41.708 42.059 -0.483 0.000 0.914 515 L HN 0.398 nan 8.230 nan 0.000 0.439 516 L N -0.542 120.426 121.223 -0.424 0.000 2.614 516 L HA 0.643 4.983 4.340 -0.000 0.000 0.264 516 L C -0.711 175.989 176.870 -0.284 0.000 0.940 516 L CA -0.283 54.393 54.840 -0.274 0.000 0.903 516 L CB 1.449 43.312 42.059 -0.326 0.000 1.306 516 L HN -0.115 nan 8.230 nan 0.000 0.410 517 A N 3.565 126.283 122.820 -0.170 0.000 2.281 517 A HA 0.935 5.255 4.320 -0.000 0.000 0.329 517 A C 0.049 177.582 177.584 -0.084 0.000 1.122 517 A CA -0.179 51.770 52.037 -0.145 0.000 0.850 517 A CB 0.977 19.907 19.000 -0.117 0.000 1.207 517 A HN 1.315 nan 8.150 nan 0.000 0.495 518 A N 0.548 123.320 122.820 -0.081 0.000 2.531 518 A HA 0.450 4.770 4.320 -0.000 0.000 0.236 518 A C 0.330 177.876 177.584 -0.063 0.000 1.062 518 A CA 0.268 52.259 52.037 -0.077 0.000 0.760 518 A CB -0.151 18.793 19.000 -0.093 0.000 0.995 518 A HN 0.687 nan 8.150 nan 0.000 0.501 519 R N 3.352 123.813 120.500 -0.065 0.000 2.363 519 R HA 0.259 4.599 4.340 -0.000 0.000 0.297 519 R C -2.074 174.129 176.300 -0.161 0.000 1.208 519 R CA -1.604 54.466 56.100 -0.050 0.000 1.121 519 R CB 1.467 31.763 30.300 -0.007 0.000 1.124 519 R HN 0.588 nan 8.270 nan 0.000 0.561 520 P HA -0.220 nan 4.420 nan 0.000 0.219 520 P C 0.285 177.219 177.300 -0.609 0.000 1.144 520 P CA 1.414 64.273 63.100 -0.401 0.000 0.806 520 P CB 0.283 31.717 31.700 -0.444 0.000 0.771 521 H N -1.535 117.373 119.070 -0.270 0.000 2.539 521 H HA 0.128 4.684 4.556 -0.000 0.000 0.269 521 H C 0.160 175.157 175.328 -0.550 0.000 0.980 521 H CA 0.038 55.860 56.048 -0.376 0.000 1.152 521 H CB 0.001 29.705 29.762 -0.097 0.000 1.407 521 H HN 0.175 nan 8.280 nan 0.000 0.564 522 D N 0.304 120.473 120.400 -0.386 0.000 2.411 522 D HA -0.002 4.637 4.640 -0.000 0.000 0.225 522 D C -0.137 175.957 176.300 -0.343 0.000 1.156 522 D CA -0.379 53.462 54.000 -0.266 0.000 0.874 522 D CB 0.058 40.778 40.800 -0.133 0.000 1.034 522 D HN 0.093 nan 8.370 nan 0.000 0.502 523 Y N 1.375 121.676 120.300 0.001 0.000 2.507 523 Y HA 0.190 4.739 4.550 -0.000 0.000 0.254 523 Y C 1.484 177.361 175.900 -0.040 0.000 1.171 523 Y CA -0.456 57.635 58.100 -0.015 0.000 1.238 523 Y CB -0.037 38.420 38.460 -0.005 0.000 1.148 523 Y HN 0.243 nan 8.280 nan 0.000 0.525 524 S N 0.880 116.610 115.700 0.050 0.000 2.558 524 S HA 0.231 4.701 4.470 -0.000 0.000 0.287 524 S C 1.165 175.742 174.600 -0.038 0.000 1.321 524 S CA 0.495 58.685 58.200 -0.018 0.000 1.048 524 S CB 0.693 63.833 63.200 -0.100 0.000 0.844 524 S HN 0.444 nan 8.310 nan 0.000 0.512 525 A N 3.152 125.943 122.820 -0.048 0.000 2.538 525 A HA 0.298 4.618 4.320 -0.000 0.000 0.269 525 A C 1.011 178.555 177.584 -0.067 0.000 1.231 525 A CA -0.229 51.772 52.037 -0.060 0.000 0.948 525 A CB 0.078 19.051 19.000 -0.046 0.000 1.110 525 A HN 0.765 nan 8.150 nan 0.000 0.529 526 D N 0.353 120.693 120.400 -0.099 0.000 2.323 526 D HA 0.245 4.885 4.640 -0.000 0.000 0.209 526 D C 1.583 177.793 176.300 -0.150 0.000 0.973 526 D CA 1.435 55.368 54.000 -0.111 0.000 0.874 526 D CB 0.192 40.915 40.800 -0.129 0.000 0.930 526 D HN 0.568 nan 8.370 nan 0.000 0.521 527 G N 0.310 108.975 108.800 -0.225 0.000 2.564 527 G HA2 -0.273 3.686 3.960 -0.000 0.000 0.273 527 G HA3 -0.273 3.686 3.960 -0.000 0.000 0.273 527 G C -0.407 174.163 174.900 -0.550 0.000 1.242 527 G CA -0.250 44.690 45.100 -0.268 0.000 0.951 527 G HN 0.235 nan 8.290 nan 0.000 0.564 528 F N 0.394 120.368 119.950 0.040 0.000 2.565 528 F HA 0.607 5.133 4.527 -0.000 0.000 0.313 528 F C 0.156 176.009 175.800 0.089 0.000 1.091 528 F CA -0.678 57.352 58.000 0.049 0.000 0.915 528 F CB 2.497 41.589 39.000 0.152 0.000 1.208 528 F HN 0.528 nan 8.300 nan 0.000 0.453 529 N N 2.152 121.017 118.700 0.274 0.000 2.626 529 N HA 0.212 4.952 4.740 -0.000 0.000 0.249 529 N C -0.809 174.836 175.510 0.226 0.000 1.021 529 N CA -0.239 52.932 53.050 0.201 0.000 0.886 529 N CB 0.444 39.004 38.487 0.121 0.000 1.149 529 N HN 0.589 nan 8.380 nan 0.000 0.517 530 D N 1.775 122.298 120.400 0.206 0.000 2.689 530 D HA -0.231 4.408 4.640 -0.000 0.000 0.237 530 D C -0.995 175.395 176.300 0.149 0.000 1.148 530 D CA 0.525 54.612 54.000 0.146 0.000 0.656 530 D CB -0.817 40.033 40.800 0.083 0.000 1.050 530 D HN 0.543 nan 8.370 nan 0.000 0.426 531 W N 0.345 121.625 121.300 -0.034 0.000 2.322 531 W HA 0.543 5.203 4.660 -0.000 0.000 0.307 531 W C -0.058 176.266 176.519 -0.325 0.000 1.220 531 W CA -0.372 56.836 57.345 -0.229 0.000 1.210 531 W CB 0.742 29.986 29.460 -0.359 0.000 1.223 531 W HN 0.227 nan 8.180 nan 0.000 0.511 532 A N 7.558 129.842 122.820 -0.894 0.000 3.015 532 A HA 0.285 4.605 4.320 -0.000 0.000 0.293 532 A C -0.799 176.404 177.584 -0.635 0.000 1.572 532 A CA -0.470 51.211 52.037 -0.593 0.000 1.274 532 A CB -0.960 17.751 19.000 -0.481 0.000 1.156 532 A HN 0.513 nan 8.150 nan 0.000 0.562 533 F N 1.735 121.502 119.950 -0.306 0.000 2.578 533 F HA 0.178 4.705 4.527 -0.000 0.000 0.376 533 F C 0.822 176.533 175.800 -0.149 0.000 1.085 533 F CA 0.588 58.480 58.000 -0.180 0.000 1.260 533 F CB 0.557 39.488 39.000 -0.115 0.000 1.095 533 F HN 0.377 nan 8.300 nan 0.000 0.573 534 M N 3.476 123.089 119.600 0.021 0.000 2.456 534 M HA 0.362 4.842 4.480 -0.000 0.000 0.324 534 M C -0.875 175.461 176.300 0.059 0.000 1.124 534 M CA -0.203 55.109 55.300 0.020 0.000 0.959 534 M CB 1.960 34.526 32.600 -0.057 0.000 1.692 534 M HN 0.626 nan 8.290 nan 0.000 0.444 535 T N 1.609 116.221 114.554 0.096 0.000 2.861 535 T HA 0.537 4.887 4.350 -0.000 0.000 0.287 535 T C 0.655 175.474 174.700 0.200 0.000 1.003 535 T CA -0.202 61.943 62.100 0.075 0.000 0.977 535 T CB 0.931 69.824 68.868 0.042 0.000 0.996 535 T HN 0.831 nan 8.240 nan 0.000 0.448 536 T N 0.442 115.152 114.554 0.261 0.000 3.054 536 T HA 0.186 4.536 4.350 -0.000 0.000 0.255 536 T C 1.261 176.276 174.700 0.524 0.000 1.035 536 T CA 0.127 62.479 62.100 0.419 0.000 0.941 536 T CB -0.417 68.667 68.868 0.360 0.000 1.026 536 T HN 0.813 nan 8.240 nan 0.000 0.533 537 H N 1.060 120.210 119.070 0.134 0.000 2.521 537 H HA 0.131 4.687 4.556 -0.000 0.000 0.286 537 H C 1.219 176.669 175.328 0.203 0.000 1.034 537 H CA 0.656 56.742 56.048 0.063 0.000 1.278 537 H CB 0.290 30.005 29.762 -0.078 0.000 1.386 537 H HN 0.349 nan 8.280 nan 0.000 0.567 538 S N 0.264 116.187 115.700 0.371 0.000 2.582 538 S HA -0.027 4.443 4.470 -0.000 0.000 0.234 538 S C 0.022 174.802 174.600 0.299 0.000 0.961 538 S CA -0.461 57.913 58.200 0.290 0.000 0.953 538 S CB 0.012 63.372 63.200 0.268 0.000 0.800 538 S HN 0.369 nan 8.310 nan 0.000 0.471 539 W N 3.181 124.581 121.300 0.167 0.000 2.385 539 W HA -0.057 4.603 4.660 -0.000 0.000 0.336 539 W C -0.022 176.532 176.519 0.057 0.000 1.351 539 W CA 0.985 58.367 57.345 0.061 0.000 1.295 539 W CB 0.048 29.497 29.460 -0.020 0.000 1.239 539 W HN 0.392 nan 8.180 nan 0.000 0.565 540 D N 1.502 121.901 120.400 -0.002 0.000 2.911 540 D HA -0.208 4.431 4.640 -0.000 0.000 0.199 540 D C 0.057 176.391 176.300 0.057 0.000 1.041 540 D CA 1.422 55.459 54.000 0.061 0.000 1.013 540 D CB -0.895 40.030 40.800 0.209 0.000 1.093 540 D HN 0.595 nan 8.370 nan 0.000 0.431 541 E N 0.703 120.945 120.200 0.069 0.000 2.345 541 E HA 0.250 4.600 4.350 -0.000 0.000 0.259 541 E C 0.104 176.723 176.600 0.032 0.000 1.117 541 E CA -0.494 55.938 56.400 0.053 0.000 0.913 541 E CB 0.723 30.457 29.700 0.057 0.000 1.057 541 E HN 0.018 nan 8.360 nan 0.000 0.432 542 D N 1.884 122.296 120.400 0.019 0.000 2.295 542 D HA 0.066 4.706 4.640 -0.000 0.000 0.248 542 D C -1.616 174.716 176.300 0.053 0.000 1.154 542 D CA -2.331 51.681 54.000 0.021 0.000 0.857 542 D CB 1.115 41.922 40.800 0.011 0.000 1.117 542 D HN 0.097 nan 8.370 nan 0.000 0.468 543 P HA 0.061 nan 4.420 nan 0.000 0.236 543 P C 0.090 177.571 177.300 0.302 0.000 1.177 543 P CA -0.029 63.253 63.100 0.304 0.000 0.773 543 P CB 0.166 32.062 31.700 0.326 0.000 0.878 544 A N 0.316 123.233 122.820 0.161 0.000 2.488 544 A HA 0.517 4.837 4.320 -0.000 0.000 0.249 544 A C 0.902 178.536 177.584 0.084 0.000 1.083 544 A CA 0.817 52.940 52.037 0.144 0.000 0.768 544 A CB -0.701 18.370 19.000 0.117 0.000 1.017 544 A HN 0.433 nan 8.150 nan 0.000 0.496 545 G N 0.996 109.857 108.800 0.101 0.000 2.302 545 G HA2 0.255 4.214 3.960 -0.000 0.000 0.276 545 G HA3 0.255 4.214 3.960 -0.000 0.000 0.276 545 G C -0.710 174.231 174.900 0.069 0.000 1.316 545 G CA -0.220 44.900 45.100 0.033 0.000 0.988 545 G HN 1.092 nan 8.290 nan 0.000 0.479 546 E N -0.306 119.893 120.200 -0.000 0.000 2.167 546 E HA 0.505 4.855 4.350 -0.000 0.000 0.284 546 E C -0.914 175.690 176.600 0.006 0.000 1.016 546 E CA -0.769 55.664 56.400 0.054 0.000 0.817 546 E CB 0.612 30.332 29.700 0.034 0.000 1.080 546 E HN 0.430 nan 8.360 nan 0.000 0.397 547 W N 3.295 124.620 121.300 0.042 0.000 2.449 547 W HA 0.464 5.123 4.660 -0.000 0.000 0.331 547 W C -0.843 175.733 176.519 0.094 0.000 1.119 547 W CA -0.474 56.913 57.345 0.070 0.000 1.240 547 W CB 1.627 31.136 29.460 0.081 0.000 1.251 547 W HN 0.212 nan 8.180 nan 0.000 0.576 548 V N 4.388 124.498 119.914 0.326 0.000 2.577 548 V HA 0.369 4.489 4.120 -0.000 0.000 0.303 548 V C -1.060 175.160 176.094 0.210 0.000 1.042 548 V CA -1.059 61.374 62.300 0.221 0.000 0.872 548 V CB 1.444 33.330 31.823 0.106 0.000 0.998 548 V HN 0.324 nan 8.190 nan 0.000 0.423 549 L N 4.560 125.877 121.223 0.156 0.000 2.307 549 L HA 0.656 4.996 4.340 -0.000 0.000 0.284 549 L C -0.204 176.637 176.870 -0.048 0.000 1.023 549 L CA 0.344 55.169 54.840 -0.025 0.000 0.810 549 L CB 1.493 43.364 42.059 -0.312 0.000 1.231 549 L HN 0.711 nan 8.230 nan 0.000 0.423 550 E N 6.044 126.208 120.200 -0.060 0.000 2.199 550 E HA 0.524 4.873 4.350 -0.000 0.000 0.265 550 E C -1.235 175.316 176.600 -0.082 0.000 0.882 550 E CA -0.363 56.011 56.400 -0.042 0.000 0.759 550 E CB 2.211 31.910 29.700 -0.001 0.000 1.148 550 E HN 0.511 nan 8.360 nan 0.000 0.412 551 I N 3.056 123.567 120.570 -0.099 0.000 2.466 551 I HA 0.268 4.438 4.170 -0.000 0.000 0.289 551 I C -0.474 175.582 176.117 -0.102 0.000 1.026 551 I CA -0.581 60.634 61.300 -0.141 0.000 1.078 551 I CB 1.694 39.586 38.000 -0.180 0.000 1.249 551 I HN 0.543 nan 8.210 nan 0.000 0.429 552 E N 4.409 124.545 120.200 -0.106 0.000 2.356 552 E HA 0.360 4.709 4.350 -0.000 0.000 0.275 552 E C -1.259 175.291 176.600 -0.083 0.000 0.904 552 E CA -1.050 55.309 56.400 -0.069 0.000 0.757 552 E CB 1.926 31.605 29.700 -0.035 0.000 1.232 552 E HN 0.399 nan 8.360 nan 0.000 0.442 553 N N 1.639 120.325 118.700 -0.024 0.000 2.415 553 N HA 0.033 4.773 4.740 -0.000 0.000 0.246 553 N C 0.466 175.987 175.510 0.017 0.000 1.078 553 N CA 0.012 53.079 53.050 0.028 0.000 0.942 553 N CB 1.260 39.837 38.487 0.151 0.000 1.140 553 N HN 0.656 nan 8.380 nan 0.000 0.501 554 T N -0.205 114.347 114.554 -0.004 0.000 3.160 554 T HA 0.032 4.382 4.350 -0.000 0.000 0.257 554 T C 0.837 175.536 174.700 -0.003 0.000 1.147 554 T CA -0.041 62.051 62.100 -0.012 0.000 1.064 554 T CB -0.153 68.696 68.868 -0.033 0.000 0.949 554 T HN 0.314 nan 8.240 nan 0.000 0.526 555 S N -0.163 115.549 115.700 0.020 0.000 2.687 555 S HA 0.328 4.798 4.470 -0.000 0.000 0.283 555 S C 0.891 175.509 174.600 0.029 0.000 1.170 555 S CA -0.710 57.503 58.200 0.022 0.000 1.008 555 S CB 1.279 64.502 63.200 0.038 0.000 1.026 555 S HN 0.170 nan 8.310 nan 0.000 0.541 556 E N 1.078 121.292 120.200 0.023 0.000 2.478 556 E HA 0.224 4.573 4.350 -0.000 0.000 0.194 556 E C 0.824 177.443 176.600 0.032 0.000 1.045 556 E CA 0.105 56.519 56.400 0.024 0.000 0.868 556 E CB -0.072 29.637 29.700 0.015 0.000 0.885 556 E HN 0.645 nan 8.360 nan 0.000 0.505 557 A N 1.326 124.168 122.820 0.037 0.000 2.429 557 A HA 0.052 4.372 4.320 -0.000 0.000 0.242 557 A C 0.328 177.942 177.584 0.050 0.000 1.088 557 A CA -0.155 51.906 52.037 0.040 0.000 0.784 557 A CB 0.020 19.044 19.000 0.040 0.000 1.038 557 A HN 0.001 nan 8.150 nan 0.000 0.501 558 N N 1.597 120.331 118.700 0.055 0.000 3.188 558 N HA 0.139 4.879 4.740 -0.000 0.000 0.279 558 N C -0.633 174.950 175.510 0.122 0.000 1.213 558 N CA -0.027 53.072 53.050 0.080 0.000 1.138 558 N CB -0.189 38.340 38.487 0.071 0.000 1.417 558 N HN 0.537 nan 8.380 nan 0.000 0.526 559 N N 0.979 119.703 118.700 0.040 0.000 2.434 559 N HA 0.340 5.080 4.740 -0.000 0.000 0.266 559 N C -0.689 174.738 175.510 -0.139 0.000 1.223 559 N CA -0.023 52.897 53.050 -0.216 0.000 0.972 559 N CB 0.788 39.071 38.487 -0.339 0.000 1.207 559 N HN 0.324 nan 8.380 nan 0.000 0.525 560 Y N -3.807 116.165 120.300 -0.548 0.000 2.592 560 Y HA 0.726 5.275 4.550 -0.000 0.000 0.334 560 Y C -0.145 175.558 175.900 -0.329 0.000 1.136 560 Y CA -1.236 56.696 58.100 -0.280 0.000 1.042 560 Y CB 1.135 39.508 38.460 -0.145 0.000 1.325 560 Y HN 0.688 nan 8.280 nan 0.000 0.457 561 G N 0.021 108.906 108.800 0.141 0.000 2.322 561 G HA2 0.517 4.476 3.960 -0.000 0.000 0.295 561 G HA3 0.517 4.476 3.960 -0.000 0.000 0.295 561 G C -1.921 173.119 174.900 0.234 0.000 1.369 561 G CA -0.745 44.487 45.100 0.221 0.000 0.821 561 G HN 0.747 nan 8.290 nan 0.000 0.536 562 T N 0.148 114.818 114.554 0.193 0.000 2.916 562 T HA 0.523 4.873 4.350 -0.000 0.000 0.298 562 T C -1.155 173.621 174.700 0.126 0.000 1.031 562 T CA -0.431 61.754 62.100 0.142 0.000 0.993 562 T CB 1.864 70.801 68.868 0.114 0.000 1.045 562 T HN 0.814 nan 8.240 nan 0.000 0.454 563 L N 3.839 125.122 121.223 0.100 0.000 2.260 563 L HA 0.495 4.835 4.340 -0.000 0.000 0.289 563 L C 1.309 178.236 176.870 0.096 0.000 1.057 563 L CA 0.244 55.136 54.840 0.087 0.000 0.811 563 L CB 0.720 42.809 42.059 0.050 0.000 1.184 563 L HN 0.897 nan 8.230 nan 0.000 0.429 564 T N 0.973 115.590 114.554 0.105 0.000 3.014 564 T HA 0.242 4.591 4.350 -0.000 0.000 0.250 564 T C 0.582 175.343 174.700 0.102 0.000 1.060 564 T CA -0.011 62.147 62.100 0.096 0.000 1.040 564 T CB 0.014 68.935 68.868 0.088 0.000 0.971 564 T HN 0.488 nan 8.240 nan 0.000 0.497 565 K N 0.035 120.512 120.400 0.128 0.000 2.557 565 K HA 0.515 4.834 4.320 -0.000 0.000 0.257 565 K C -2.475 174.263 176.600 0.231 0.000 0.933 565 K CA -0.988 55.385 56.287 0.144 0.000 0.820 565 K CB 1.925 34.492 32.500 0.113 0.000 1.330 565 K HN 0.024 nan 8.250 nan 0.000 0.432 566 F N 3.194 123.154 119.950 0.016 0.000 2.828 566 F HA 0.418 4.945 4.527 -0.000 0.000 0.355 566 F C -1.564 174.220 175.800 -0.027 0.000 1.200 566 F CA -0.412 57.589 58.000 0.002 0.000 1.062 566 F CB 1.505 40.504 39.000 -0.001 0.000 1.351 566 F HN 0.367 nan 8.300 nan 0.000 0.504 567 T N 7.121 121.741 114.554 0.110 0.000 2.770 567 T HA 0.488 4.838 4.350 -0.000 0.000 0.283 567 T C -0.967 173.620 174.700 -0.188 0.000 0.988 567 T CA -0.426 61.584 62.100 -0.150 0.000 0.957 567 T CB 1.339 70.166 68.868 -0.068 0.000 0.930 567 T HN 0.513 nan 8.240 nan 0.000 0.443 568 L N 5.616 126.584 121.223 -0.426 0.000 2.264 568 L HA 0.602 4.941 4.340 -0.000 0.000 0.289 568 L C -0.871 175.807 176.870 -0.320 0.000 1.044 568 L CA -0.282 54.326 54.840 -0.388 0.000 0.807 568 L CB 0.786 42.462 42.059 -0.638 0.000 1.192 568 L HN 0.411 nan 8.230 nan 0.000 0.425 569 V N 6.878 126.645 119.914 -0.244 0.000 2.357 569 V HA 0.413 4.533 4.120 -0.000 0.000 0.284 569 V C -0.057 175.868 176.094 -0.282 0.000 1.018 569 V CA -0.563 61.574 62.300 -0.273 0.000 0.841 569 V CB 1.402 33.090 31.823 -0.225 0.000 0.991 569 V HN 0.569 nan 8.190 nan 0.000 0.437 570 L N 5.621 126.643 121.223 -0.336 0.000 2.282 570 L HA 0.584 4.924 4.340 -0.000 0.000 0.288 570 L C -1.021 175.671 176.870 -0.296 0.000 1.033 570 L CA -0.546 54.151 54.840 -0.237 0.000 0.807 570 L CB 1.111 43.057 42.059 -0.189 0.000 1.209 570 L HN 0.494 nan 8.230 nan 0.000 0.423 571 Y N 1.348 121.613 120.300 -0.058 0.000 2.409 571 Y HA 0.816 5.366 4.550 -0.000 0.000 0.339 571 Y C 0.745 176.576 175.900 -0.115 0.000 1.033 571 Y CA -0.158 57.918 58.100 -0.041 0.000 1.094 571 Y CB 2.314 40.795 38.460 0.036 0.000 1.210 571 Y HN 0.711 nan 8.280 nan 0.000 0.456 572 G N 0.289 109.116 108.800 0.045 0.000 2.336 572 G HA2 0.436 4.396 3.960 -0.000 0.000 0.286 572 G HA3 0.436 4.396 3.960 -0.000 0.000 0.286 572 G C -1.143 173.725 174.900 -0.053 0.000 1.269 572 G CA -0.370 44.684 45.100 -0.077 0.000 0.873 572 G HN 0.741 nan 8.290 nan 0.000 0.494 573 T N -2.466 112.038 114.554 -0.083 0.000 2.838 573 T HA 0.924 5.274 4.350 -0.000 0.000 0.292 573 T C -0.262 174.374 174.700 -0.105 0.000 1.113 573 T CA 0.165 62.223 62.100 -0.071 0.000 1.008 573 T CB 1.714 70.546 68.868 -0.059 0.000 1.259 573 T HN 2.221 nan 8.240 nan 0.000 0.520 574 A N 1.662 124.428 122.820 -0.091 0.000 2.374 574 A HA 0.891 5.211 4.320 -0.000 0.000 0.317 574 A C -2.186 175.359 177.584 -0.065 0.000 1.094 574 A CA -1.616 50.358 52.037 -0.105 0.000 0.765 574 A CB 0.124 19.076 19.000 -0.081 0.000 1.268 574 A HN 0.887 nan 8.150 nan 0.000 0.438 575 P HA 0.000 nan 4.420 nan 0.000 0.216 575 P CA 0.000 63.072 63.100 -0.046 0.000 0.800 575 P CB 0.000 31.679 31.700 -0.035 0.000 0.726