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 1wvg_1_B DATA FIRST_RESID 1003 DATA SEQUENCE SIDKNFWQGK RVFVTGHTGF KGSWLSLWLT EMGAIVKGYA LDAPTVPSLF DATA SEQUENCE EIVRLNDLME SHIGDIRDFE KLRSSIAEFK PEIVFHMAAQ PLVRLSYEQP DATA SEQUENCE IKTYSTNVMG TVHLLETVKQ VGNIKAVVNI TSDKCYDNRE WVWGYRENEP DATA SEQUENCE MGGYDPYSNS KGCAELVASA FRNSFFNPAN XXQHGVGLAS VRAGNVIGGG DATA SEQUENCE DWAKDRLIPD ILRSFENNQQ VIIRNPYSIR PWQHVLEPLS GYIVVAQRLY DATA SEQUENCE TEGAKFSEGW NFGPRDEDAK TVEFIVDKMV TLWGDXASWL LDGENHPHXX DATA SEQUENCE HYLKLDCSKA NMQLGWHPRW GLTETLSRIV KWHKAWIRGE DMLICSKREI DATA SEQUENCE SDYMS 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 1003 S HA 0.000 nan 4.470 nan 0.000 0.327 1003 S C 0.000 174.623 174.600 0.039 0.000 1.055 1003 S CA 0.000 58.216 58.200 0.027 0.000 1.107 1003 S CB 0.000 63.221 63.200 0.036 0.000 0.593 1004 I N 3.781 124.400 120.570 0.081 0.000 2.291 1004 I HA 0.376 4.545 4.170 -0.003 0.000 0.290 1004 I C -0.815 175.416 176.117 0.190 0.000 1.050 1004 I CA -0.134 61.246 61.300 0.134 0.000 1.245 1004 I CB 0.853 38.925 38.000 0.120 0.000 1.405 1004 I HN 0.173 nan 8.210 nan 0.000 0.478 1005 D N 6.015 126.543 120.400 0.213 0.000 2.347 1005 D HA 0.153 4.791 4.640 -0.003 0.000 0.235 1005 D C 1.004 177.532 176.300 0.379 0.000 1.149 1005 D CA -0.209 53.922 54.000 0.218 0.000 0.850 1005 D CB 0.978 41.842 40.800 0.106 0.000 1.061 1005 D HN 0.332 nan 8.370 nan 0.000 0.487 1006 K N 2.413 122.998 120.400 0.308 0.000 2.032 1006 K HA -0.165 4.153 4.320 -0.003 0.000 0.209 1006 K C 1.364 178.117 176.600 0.255 0.000 1.048 1006 K CA 1.277 57.754 56.287 0.316 0.000 0.927 1006 K CB -0.065 32.567 32.500 0.220 0.000 0.712 1006 K HN 0.387 nan 8.250 nan 0.000 0.441 1007 N N 0.783 119.583 118.700 0.168 0.000 2.205 1007 N HA -0.180 4.558 4.740 -0.003 0.000 0.186 1007 N C 1.534 177.066 175.510 0.035 0.000 1.015 1007 N CA 0.960 54.067 53.050 0.094 0.000 0.862 1007 N CB -0.473 38.057 38.487 0.072 0.000 0.986 1007 N HN 0.137 nan 8.380 nan 0.000 0.429 1008 F N 0.278 120.171 119.950 -0.094 0.000 2.069 1008 F HA -0.170 4.355 4.527 -0.003 0.000 0.298 1008 F C 1.749 177.294 175.800 -0.425 0.000 1.113 1008 F CA 1.450 59.252 58.000 -0.329 0.000 1.214 1008 F CB -0.545 38.132 39.000 -0.538 0.000 0.978 1008 F HN 0.010 nan 8.300 nan 0.000 0.474 1009 W N 0.729 121.998 121.300 -0.052 0.000 2.388 1009 W HA -0.049 4.609 4.660 -0.003 0.000 0.294 1009 W C 0.962 177.393 176.519 -0.146 0.000 1.212 1009 W CA 0.473 57.746 57.345 -0.119 0.000 1.271 1009 W CB -0.947 28.542 29.460 0.048 0.000 1.126 1009 W HN -0.070 nan 8.180 nan 0.000 0.535 1010 Q N 0.562 120.421 119.800 0.099 0.000 2.520 1010 Q HA 0.151 4.489 4.340 -0.003 0.000 0.320 1010 Q C 1.191 177.171 176.000 -0.035 0.000 1.104 1010 Q CA 1.448 57.280 55.803 0.049 0.000 1.062 1010 Q CB -0.209 28.556 28.738 0.046 0.000 1.005 1010 Q HN 0.393 nan 8.270 nan 0.000 0.390 1011 G N 2.117 110.923 108.800 0.011 0.000 2.179 1011 G HA2 -0.260 3.698 3.960 -0.003 0.000 0.260 1011 G HA3 -0.260 3.698 3.960 -0.003 0.000 0.260 1011 G C -0.206 174.673 174.900 -0.034 0.000 0.977 1011 G CA -0.319 44.773 45.100 -0.014 0.000 0.641 1011 G HN 0.425 nan 8.290 nan 0.000 0.533 1012 K N 0.711 121.088 120.400 -0.038 0.000 2.322 1012 K HA 0.275 4.593 4.320 -0.003 0.000 0.283 1012 K C 0.630 177.306 176.600 0.126 0.000 1.042 1012 K CA -0.461 55.802 56.287 -0.040 0.000 0.958 1012 K CB 0.833 33.254 32.500 -0.133 0.000 0.984 1012 K HN 0.280 nan 8.250 nan 0.000 0.473 1013 R N 2.109 122.677 120.500 0.113 0.000 2.351 1013 R HA 0.145 4.483 4.340 -0.003 0.000 0.321 1013 R C -0.498 176.095 176.300 0.489 0.000 1.182 1013 R CA -0.182 56.060 56.100 0.235 0.000 1.011 1013 R CB 0.212 30.449 30.300 -0.105 0.000 1.048 1013 R HN 0.225 nan 8.270 nan 0.000 0.490 1014 V N 5.389 125.646 119.914 0.572 0.000 2.384 1014 V HA 0.277 4.395 4.120 -0.003 0.000 0.287 1014 V C -0.407 175.937 176.094 0.416 0.000 1.020 1014 V CA -0.750 61.859 62.300 0.515 0.000 0.850 1014 V CB 1.267 33.375 31.823 0.476 0.000 0.987 1014 V HN 0.504 nan 8.190 nan 0.000 0.436 1015 F N 5.383 125.476 119.950 0.239 0.000 2.404 1015 F HA 0.698 5.223 4.527 -0.003 0.000 0.354 1015 F C -0.309 175.583 175.800 0.153 0.000 1.122 1015 F CA -0.393 57.637 58.000 0.049 0.000 1.080 1015 F CB 1.350 40.373 39.000 0.038 0.000 1.131 1015 F HN 0.272 nan 8.300 nan 0.000 0.471 1016 V N 4.967 124.828 119.914 -0.087 0.000 2.409 1016 V HA 0.335 4.453 4.120 -0.003 0.000 0.291 1016 V C -0.131 175.942 176.094 -0.035 0.000 1.020 1016 V CA -0.690 61.654 62.300 0.074 0.000 0.848 1016 V CB 1.891 33.729 31.823 0.025 0.000 0.990 1016 V HN 0.845 nan 8.190 nan 0.000 0.430 1017 T N 0.716 115.386 114.554 0.193 0.000 2.909 1017 T HA 0.586 4.934 4.350 -0.003 0.000 0.286 1017 T C 0.914 175.729 174.700 0.192 0.000 1.002 1017 T CA 0.259 62.499 62.100 0.233 0.000 1.074 1017 T CB 1.431 70.547 68.868 0.415 0.000 0.984 1017 T HN 1.906 nan 8.240 nan 0.000 0.495 1018 G N 2.461 111.358 108.800 0.163 0.000 2.246 1018 G HA2 -0.277 3.681 3.960 -0.003 0.000 0.273 1018 G HA3 -0.277 3.681 3.960 -0.003 0.000 0.273 1018 G C 0.619 175.505 174.900 -0.022 0.000 1.055 1018 G CA 0.572 45.693 45.100 0.035 0.000 0.851 1018 G HN 1.276 nan 8.290 nan 0.000 0.500 1019 H N -1.019 118.000 119.070 -0.084 0.000 2.495 1019 H HA -0.064 4.490 4.556 -0.003 0.000 0.287 1019 H C 2.128 177.357 175.328 -0.165 0.000 1.033 1019 H CA 1.812 57.810 56.048 -0.084 0.000 1.307 1019 H CB -0.717 29.004 29.762 -0.068 0.000 1.401 1019 H HN 0.648 nan 8.280 nan 0.000 0.555 1020 T N -1.959 111.986 114.554 -1.016 0.000 3.055 1020 T HA 0.180 4.528 4.350 -0.003 0.000 0.265 1020 T C 1.379 175.868 174.700 -0.353 0.000 1.111 1020 T CA 0.231 61.695 62.100 -1.060 0.000 1.118 1020 T CB -0.391 67.725 68.868 -1.254 0.000 0.909 1020 T HN 0.422 nan 8.240 nan 0.000 0.501 1021 G N 0.008 108.699 108.800 -0.181 0.000 2.535 1021 G HA2 0.415 4.373 3.960 -0.003 0.000 0.282 1021 G HA3 0.415 4.373 3.960 -0.003 0.000 0.282 1021 G C 0.281 175.256 174.900 0.125 0.000 1.350 1021 G CA -0.509 44.588 45.100 -0.005 0.000 1.039 1021 G HN 0.068 nan 8.290 nan 0.000 0.509 1022 F N 0.614 120.562 119.950 -0.002 0.000 1.997 1022 F HA -0.088 4.437 4.527 -0.003 0.000 0.296 1022 F C 2.712 178.576 175.800 0.107 0.000 1.160 1022 F CA 2.123 60.136 58.000 0.022 0.000 1.176 1022 F CB -0.333 38.669 39.000 0.002 0.000 0.964 1022 F HN 0.343 nan 8.300 nan 0.000 0.484 1023 K N -0.017 120.329 120.400 -0.090 0.000 2.097 1023 K HA -0.106 4.213 4.320 -0.003 0.000 0.206 1023 K C 2.319 178.904 176.600 -0.024 0.000 1.049 1023 K CA 1.233 57.414 56.287 -0.178 0.000 0.933 1023 K CB -1.116 31.343 32.500 -0.068 0.000 0.717 1023 K HN 0.502 nan 8.250 nan 0.000 0.442 1024 G N 1.712 110.527 108.800 0.025 0.000 2.422 1024 G HA2 -0.280 3.678 3.960 -0.003 0.000 0.218 1024 G HA3 -0.280 3.678 3.960 -0.003 0.000 0.218 1024 G C 1.706 176.652 174.900 0.077 0.000 1.146 1024 G CA 1.274 46.401 45.100 0.046 0.000 0.769 1024 G HN 0.415 nan 8.290 nan 0.000 0.547 1025 S N -0.472 115.274 115.700 0.077 0.000 2.371 1025 S HA -0.118 4.350 4.470 -0.003 0.000 0.224 1025 S C 2.011 176.611 174.600 -0.002 0.000 1.029 1025 S CA 0.922 59.176 58.200 0.090 0.000 0.978 1025 S CB -0.681 62.591 63.200 0.120 0.000 0.833 1025 S HN 0.587 nan 8.310 nan 0.000 0.466 1026 W N 1.166 122.413 121.300 -0.088 0.000 2.363 1026 W HA 0.066 4.723 4.660 -0.004 0.000 0.296 1026 W C 2.271 178.769 176.519 -0.035 0.000 1.212 1026 W CA 0.294 57.566 57.345 -0.121 0.000 1.260 1026 W CB -0.342 28.939 29.460 -0.299 0.000 1.131 1026 W HN 0.297 nan 8.180 nan 0.000 0.530 1027 L N 0.115 121.429 121.223 0.153 0.000 2.027 1027 L HA -0.156 4.182 4.340 -0.003 0.000 0.206 1027 L C 2.341 179.196 176.870 -0.024 0.000 1.074 1027 L CA 2.196 57.042 54.840 0.010 0.000 0.745 1027 L CB -1.169 40.784 42.059 -0.177 0.000 0.898 1027 L HN -0.243 nan 8.230 nan 0.000 0.433 1028 S N -0.236 115.466 115.700 0.004 0.000 2.383 1028 S HA -0.188 4.280 4.470 -0.003 0.000 0.229 1028 S C 1.788 176.415 174.600 0.046 0.000 1.030 1028 S CA 1.531 59.738 58.200 0.013 0.000 1.002 1028 S CB -0.659 62.597 63.200 0.093 0.000 0.829 1028 S HN 0.407 nan 8.310 nan 0.000 0.467 1029 L N 1.599 122.868 121.223 0.077 0.000 1.943 1029 L HA -0.078 4.260 4.340 -0.003 0.000 0.215 1029 L C 2.117 179.076 176.870 0.148 0.000 1.074 1029 L CA 1.836 56.722 54.840 0.076 0.000 0.759 1029 L CB -1.058 41.025 42.059 0.039 0.000 0.888 1029 L HN 0.414 nan 8.230 nan 0.000 0.433 1030 W N 0.281 121.565 121.300 -0.026 0.000 2.277 1030 W HA -0.318 4.341 4.660 -0.003 0.000 0.327 1030 W C 2.504 178.936 176.519 -0.145 0.000 1.284 1030 W CA 2.465 59.765 57.345 -0.074 0.000 1.277 1030 W CB -0.951 28.416 29.460 -0.154 0.000 1.141 1030 W HN 0.253 nan 8.180 nan 0.000 0.482 1031 L N 0.041 121.321 121.223 0.096 0.000 2.131 1031 L HA -0.244 4.095 4.340 -0.003 0.000 0.210 1031 L C 2.538 179.425 176.870 0.028 0.000 1.092 1031 L CA 2.004 56.765 54.840 -0.133 0.000 0.759 1031 L CB -1.296 40.605 42.059 -0.263 0.000 0.903 1031 L HN 0.043 nan 8.230 nan 0.000 0.435 1032 T N -3.646 110.947 114.554 0.065 0.000 2.851 1032 T HA -0.075 4.273 4.350 -0.003 0.000 0.262 1032 T C 2.088 176.846 174.700 0.096 0.000 1.043 1032 T CA 1.024 63.169 62.100 0.075 0.000 1.140 1032 T CB -0.572 68.329 68.868 0.054 0.000 0.872 1032 T HN 0.396 nan 8.240 nan 0.000 0.446 1033 E N 2.074 122.342 120.200 0.112 0.000 2.169 1033 E HA -0.169 4.179 4.350 -0.003 0.000 0.202 1033 E C 2.019 178.704 176.600 0.141 0.000 1.016 1033 E CA 1.893 58.361 56.400 0.113 0.000 0.817 1033 E CB -1.280 28.478 29.700 0.097 0.000 0.736 1033 E HN 0.796 nan 8.360 nan 0.000 0.462 1034 M N -1.400 118.307 119.600 0.179 0.000 2.618 1034 M HA 0.300 4.778 4.480 -0.003 0.000 0.240 1034 M C 1.856 178.268 176.300 0.186 0.000 1.123 1034 M CA 0.802 56.220 55.300 0.197 0.000 1.060 1034 M CB 0.726 33.459 32.600 0.222 0.000 1.535 1034 M HN 0.552 nan 8.290 nan 0.000 0.507 1035 G N 0.537 109.424 108.800 0.146 0.000 2.179 1035 G HA2 -0.141 3.817 3.960 -0.003 0.000 0.220 1035 G HA3 -0.141 3.817 3.960 -0.003 0.000 0.220 1035 G C 0.105 175.086 174.900 0.135 0.000 0.990 1035 G CA -0.100 45.076 45.100 0.126 0.000 0.646 1035 G HN 0.651 nan 8.290 nan 0.000 0.517 1036 A N -0.112 122.810 122.820 0.169 0.000 2.340 1036 A HA 0.761 5.079 4.320 -0.003 0.000 0.268 1036 A C 0.230 177.912 177.584 0.163 0.000 1.100 1036 A CA -0.239 51.916 52.037 0.196 0.000 0.803 1036 A CB 0.419 19.581 19.000 0.270 0.000 1.043 1036 A HN 0.750 nan 8.150 nan 0.000 0.488 1037 I N 2.605 123.289 120.570 0.190 0.000 2.281 1037 I HA 0.234 4.402 4.170 -0.003 0.000 0.293 1037 I C -0.326 175.990 176.117 0.331 0.000 1.085 1037 I CA 0.187 61.623 61.300 0.227 0.000 1.257 1037 I CB 0.906 39.035 38.000 0.215 0.000 1.430 1037 I HN 0.300 nan 8.210 nan 0.000 0.489 1038 V N 6.120 126.150 119.914 0.193 0.000 2.612 1038 V HA 0.485 4.603 4.120 -0.003 0.000 0.301 1038 V C 0.012 176.030 176.094 -0.127 0.000 1.046 1038 V CA -0.908 61.434 62.300 0.070 0.000 0.946 1038 V CB 1.750 33.579 31.823 0.010 0.000 1.003 1038 V HN 0.604 nan 8.190 nan 0.000 0.459 1039 K N 1.847 121.988 120.400 -0.431 0.000 2.397 1039 K HA 0.713 5.031 4.320 -0.003 0.000 0.253 1039 K C -0.254 175.900 176.600 -0.744 0.000 0.932 1039 K CA -0.388 55.500 56.287 -0.665 0.000 0.795 1039 K CB 1.981 33.749 32.500 -1.220 0.000 1.159 1039 K HN 0.945 nan 8.250 nan 0.000 0.424 1040 G N 2.251 110.570 108.800 -0.802 0.000 2.432 1040 G HA2 0.396 4.354 3.960 -0.003 0.000 0.331 1040 G HA3 0.396 4.354 3.960 -0.003 0.000 0.331 1040 G C -2.037 172.427 174.900 -0.727 0.000 1.170 1040 G CA -0.539 43.877 45.100 -1.141 0.000 0.943 1040 G HN 0.636 nan 8.290 nan 0.000 0.483 1041 Y N 0.941 120.993 120.300 -0.414 0.000 2.333 1041 Y HA 0.585 5.133 4.550 -0.003 0.000 0.324 1041 Y C -0.267 175.656 175.900 0.038 0.000 1.033 1041 Y CA -0.520 57.484 58.100 -0.160 0.000 1.224 1041 Y CB 1.024 39.374 38.460 -0.183 0.000 1.120 1041 Y HN 0.930 nan 8.280 nan 0.000 0.457 1042 A N 4.969 127.849 122.820 0.100 0.000 2.536 1042 A HA 0.629 4.947 4.320 -0.003 0.000 0.293 1042 A C -1.971 175.513 177.584 -0.165 0.000 1.119 1042 A CA -0.934 51.094 52.037 -0.015 0.000 0.654 1042 A CB 1.062 19.916 19.000 -0.244 0.000 1.291 1042 A HN 0.659 nan 8.150 nan 0.000 0.439 1043 L N 0.581 121.721 121.223 -0.138 0.000 2.488 1043 L HA 0.296 4.634 4.340 -0.003 0.000 0.249 1043 L C 0.185 176.942 176.870 -0.188 0.000 1.151 1043 L CA -0.825 53.937 54.840 -0.130 0.000 0.806 1043 L CB 0.266 42.284 42.059 -0.069 0.000 1.261 1043 L HN 0.694 nan 8.230 nan 0.000 0.484 1044 D N 0.341 120.660 120.400 -0.136 0.000 2.378 1044 D HA 0.128 4.766 4.640 -0.003 0.000 0.238 1044 D C 0.045 176.244 176.300 -0.168 0.000 1.180 1044 D CA 0.018 53.932 54.000 -0.144 0.000 0.895 1044 D CB 0.993 41.753 40.800 -0.066 0.000 1.192 1044 D HN 0.591 nan 8.370 nan 0.000 0.438 1045 A N 2.918 125.631 122.820 -0.179 0.000 2.598 1045 A HA -0.004 4.315 4.320 -0.003 0.000 0.239 1045 A C -1.099 176.448 177.584 -0.062 0.000 1.032 1045 A CA -0.580 51.378 52.037 -0.131 0.000 0.760 1045 A CB -0.021 18.975 19.000 -0.008 0.000 0.946 1045 A HN 0.400 nan 8.150 nan 0.000 0.512 1046 P HA -0.003 nan 4.420 nan 0.000 0.226 1046 P C 0.509 177.815 177.300 0.009 0.000 1.153 1046 P CA 1.657 64.745 63.100 -0.020 0.000 0.777 1046 P CB -0.130 31.561 31.700 -0.014 0.000 0.794 1047 T N -3.454 111.121 114.554 0.035 0.000 2.804 1047 T HA 0.620 4.968 4.350 -0.003 0.000 0.290 1047 T C -0.897 173.819 174.700 0.027 0.000 1.099 1047 T CA -0.827 61.305 62.100 0.052 0.000 1.011 1047 T CB 2.001 70.942 68.868 0.122 0.000 1.291 1047 T HN -0.255 nan 8.240 nan 0.000 0.523 1048 V N 2.205 122.110 119.914 -0.014 0.000 2.559 1048 V HA 0.467 4.585 4.120 -0.003 0.000 0.289 1048 V C -2.388 173.557 176.094 -0.249 0.000 1.036 1048 V CA -1.358 60.878 62.300 -0.107 0.000 0.887 1048 V CB 1.147 32.933 31.823 -0.063 0.000 1.022 1048 V HN 0.938 nan 8.190 nan 0.000 0.442 1049 P HA 0.408 nan 4.420 nan 0.000 0.274 1049 P C -0.477 176.629 177.300 -0.324 0.000 1.260 1049 P CA -0.227 62.449 63.100 -0.707 0.000 0.793 1049 P CB 0.904 31.744 31.700 -1.433 0.000 1.048 1050 S N -0.212 115.438 115.700 -0.083 0.000 2.672 1050 S HA 0.210 4.678 4.470 -0.003 0.000 0.291 1050 S C 0.658 175.449 174.600 0.317 0.000 1.145 1050 S CA -0.748 57.592 58.200 0.233 0.000 1.013 1050 S CB 0.862 64.159 63.200 0.162 0.000 1.017 1050 S HN 0.303 nan 8.310 nan 0.000 0.487 1051 L N 4.130 125.629 121.223 0.461 0.000 2.043 1051 L HA 0.033 4.371 4.340 -0.003 0.000 0.212 1051 L C 1.942 178.905 176.870 0.154 0.000 1.075 1051 L CA 2.145 57.159 54.840 0.289 0.000 0.752 1051 L CB -0.758 41.325 42.059 0.041 0.000 0.891 1051 L HN 0.878 nan 8.230 nan 0.000 0.432 1052 F N 0.587 120.557 119.950 0.032 0.000 2.063 1052 F HA -0.292 4.233 4.527 -0.003 0.000 0.298 1052 F C 2.413 178.224 175.800 0.018 0.000 1.109 1052 F CA 2.327 60.327 58.000 0.001 0.000 1.212 1052 F CB -0.295 38.698 39.000 -0.012 0.000 0.973 1052 F HN 0.242 nan 8.300 nan 0.000 0.480 1053 E N 0.408 120.680 120.200 0.122 0.000 2.028 1053 E HA -0.181 4.167 4.350 -0.003 0.000 0.190 1053 E C 2.438 179.021 176.600 -0.029 0.000 0.984 1053 E CA 1.588 57.988 56.400 0.001 0.000 0.800 1053 E CB -0.762 28.989 29.700 0.086 0.000 0.758 1053 E HN 0.479 nan 8.360 nan 0.000 0.448 1054 I N 1.768 122.367 120.570 0.048 0.000 2.229 1054 I HA -0.245 3.923 4.170 -0.003 0.000 0.250 1054 I C 2.393 178.530 176.117 0.034 0.000 1.096 1054 I CA 1.429 62.779 61.300 0.083 0.000 1.358 1054 I CB -0.307 37.810 38.000 0.194 0.000 1.047 1054 I HN 0.028 nan 8.210 nan 0.000 0.422 1055 V N -2.279 117.618 119.914 -0.028 0.000 3.596 1055 V HA 0.286 4.404 4.120 -0.003 0.000 0.289 1055 V C 1.214 177.230 176.094 -0.131 0.000 1.336 1055 V CA -0.387 61.873 62.300 -0.067 0.000 1.137 1055 V CB -0.608 31.167 31.823 -0.079 0.000 0.966 1055 V HN 0.462 nan 8.190 nan 0.000 0.428 1056 R N -0.346 120.048 120.500 -0.176 0.000 3.333 1056 R HA -0.182 4.156 4.340 -0.003 0.000 0.256 1056 R C 0.938 177.073 176.300 -0.274 0.000 1.010 1056 R CA 0.749 56.728 56.100 -0.203 0.000 0.680 1056 R CB -1.669 28.568 30.300 -0.106 0.000 1.102 1056 R HN 0.631 nan 8.270 nan 0.000 0.440 1057 L N -0.474 120.457 121.223 -0.487 0.000 2.127 1057 L HA -0.224 4.114 4.340 -0.003 0.000 0.211 1057 L C 2.167 178.831 176.870 -0.343 0.000 1.089 1057 L CA 2.014 56.569 54.840 -0.475 0.000 0.757 1057 L CB -0.364 41.263 42.059 -0.721 0.000 0.899 1057 L HN 0.520 nan 8.230 nan 0.000 0.434 1058 N N -0.317 118.167 118.700 -0.360 0.000 2.513 1058 N HA -0.202 4.536 4.740 -0.003 0.000 0.187 1058 N C 0.995 176.483 175.510 -0.038 0.000 1.056 1058 N CA 0.725 53.736 53.050 -0.065 0.000 0.907 1058 N CB 0.192 38.726 38.487 0.079 0.000 0.954 1058 N HN 0.347 nan 8.380 nan 0.000 0.445 1059 D N 0.370 120.726 120.400 -0.073 0.000 2.149 1059 D HA -0.040 4.598 4.640 -0.003 0.000 0.206 1059 D C 1.851 178.138 176.300 -0.022 0.000 0.967 1059 D CA 0.696 54.674 54.000 -0.037 0.000 0.848 1059 D CB -0.152 40.623 40.800 -0.042 0.000 0.998 1059 D HN 0.261 nan 8.370 nan 0.000 0.474 1060 L N -0.159 121.042 121.223 -0.038 0.000 2.376 1060 L HA 0.077 4.415 4.340 -0.003 0.000 0.219 1060 L C 1.168 178.042 176.870 0.006 0.000 1.133 1060 L CA 0.564 55.395 54.840 -0.014 0.000 0.816 1060 L CB -0.622 41.421 42.059 -0.027 0.000 0.933 1060 L HN 0.096 nan 8.230 nan 0.000 0.449 1061 M N -2.813 116.789 119.600 0.002 0.000 2.644 1061 M HA 0.450 4.928 4.480 -0.003 0.000 0.273 1061 M C -0.906 175.397 176.300 0.006 0.000 1.253 1061 M CA -0.745 54.562 55.300 0.011 0.000 0.852 1061 M CB 2.065 34.667 32.600 0.003 0.000 1.708 1061 M HN -0.192 nan 8.290 nan 0.000 0.471 1062 E N 1.304 121.494 120.200 -0.016 0.000 2.344 1062 E HA 0.347 4.695 4.350 -0.003 0.000 0.270 1062 E C -1.354 175.177 176.600 -0.115 0.000 1.021 1062 E CA -0.088 56.293 56.400 -0.032 0.000 0.887 1062 E CB 0.992 30.691 29.700 -0.001 0.000 0.997 1062 E HN 0.628 nan 8.360 nan 0.000 0.429 1063 S N 3.623 119.296 115.700 -0.045 0.000 2.594 1063 S HA 0.223 4.691 4.470 -0.003 0.000 0.296 1063 S C -1.664 172.957 174.600 0.035 0.000 1.124 1063 S CA -0.809 57.360 58.200 -0.051 0.000 1.011 1063 S CB 0.924 64.257 63.200 0.221 0.000 1.016 1063 S HN 0.593 nan 8.310 nan 0.000 0.485 1064 H N 5.149 124.140 119.070 -0.133 0.000 2.481 1064 H HA 0.509 5.063 4.556 -0.003 0.000 0.333 1064 H C -0.845 174.376 175.328 -0.179 0.000 1.066 1064 H CA -0.994 54.969 56.048 -0.141 0.000 1.209 1064 H CB 0.646 30.299 29.762 -0.180 0.000 1.445 1064 H HN 0.478 nan 8.280 nan 0.000 0.488 1065 I N 4.557 125.213 120.570 0.144 0.000 2.325 1065 I HA 0.454 4.622 4.170 -0.003 0.000 0.291 1065 I C 0.918 176.784 176.117 -0.418 0.000 1.019 1065 I CA 0.113 61.336 61.300 -0.127 0.000 1.302 1065 I CB 0.668 38.643 38.000 -0.042 0.000 1.401 1065 I HN 0.780 nan 8.210 nan 0.000 0.485 1066 G N 5.451 113.846 108.800 -0.675 0.000 2.601 1066 G HA2 0.190 4.148 3.960 -0.003 0.000 0.291 1066 G HA3 0.190 4.148 3.960 -0.003 0.000 0.291 1066 G C -1.776 172.948 174.900 -0.292 0.000 1.456 1066 G CA -0.585 44.069 45.100 -0.743 0.000 0.804 1066 G HN 0.407 nan 8.290 nan 0.000 0.499 1067 D N 0.419 120.826 120.400 0.011 0.000 2.277 1067 D HA 0.207 4.845 4.640 -0.003 0.000 0.249 1067 D C 1.267 177.793 176.300 0.377 0.000 1.134 1067 D CA -0.522 53.591 54.000 0.188 0.000 0.863 1067 D CB 1.918 42.791 40.800 0.122 0.000 1.143 1067 D HN 0.145 nan 8.370 nan 0.000 0.458 1068 I N 4.060 124.834 120.570 0.339 0.000 2.423 1068 I HA -0.219 3.949 4.170 -0.003 0.000 0.254 1068 I C 2.053 178.366 176.117 0.327 0.000 1.151 1068 I CA 1.160 62.611 61.300 0.252 0.000 1.421 1068 I CB 0.135 38.264 38.000 0.217 0.000 1.079 1068 I HN 0.354 nan 8.210 nan 0.000 0.431 1069 R N -0.088 120.598 120.500 0.310 0.000 2.339 1069 R HA -0.020 4.318 4.340 -0.003 0.000 0.199 1069 R C 0.352 176.848 176.300 0.327 0.000 1.018 1069 R CA 0.341 56.679 56.100 0.396 0.000 1.036 1069 R CB -0.398 30.045 30.300 0.238 0.000 0.899 1069 R HN 0.292 nan 8.270 nan 0.000 0.473 1070 D N 0.405 120.926 120.400 0.201 0.000 2.499 1070 D HA -0.019 4.619 4.640 -0.003 0.000 0.225 1070 D C 0.341 176.611 176.300 -0.049 0.000 1.124 1070 D CA -0.295 53.757 54.000 0.087 0.000 0.938 1070 D CB 0.363 41.223 40.800 0.100 0.000 1.014 1070 D HN -0.031 nan 8.370 nan 0.000 0.517 1071 F N 3.759 123.461 119.950 -0.414 0.000 2.063 1071 F HA -0.260 4.265 4.527 -0.003 0.000 0.298 1071 F C 1.917 177.598 175.800 -0.198 0.000 1.109 1071 F CA 1.680 59.375 58.000 -0.507 0.000 1.212 1071 F CB 0.234 38.816 39.000 -0.697 0.000 0.973 1071 F HN 0.315 nan 8.300 nan 0.000 0.480 1072 E N 0.814 120.778 120.200 -0.394 0.000 2.038 1072 E HA -0.222 4.126 4.350 -0.003 0.000 0.195 1072 E C 2.236 178.679 176.600 -0.263 0.000 1.000 1072 E CA 1.655 57.830 56.400 -0.375 0.000 0.803 1072 E CB -0.452 29.184 29.700 -0.106 0.000 0.750 1072 E HN 0.524 nan 8.360 nan 0.000 0.448 1073 K N 0.494 120.841 120.400 -0.088 0.000 2.063 1073 K HA -0.167 4.151 4.320 -0.003 0.000 0.208 1073 K C 2.267 178.944 176.600 0.130 0.000 1.048 1073 K CA 0.909 57.240 56.287 0.073 0.000 0.928 1073 K CB -0.398 32.201 32.500 0.165 0.000 0.713 1073 K HN 0.052 nan 8.250 nan 0.000 0.442 1074 L N 1.883 123.098 121.223 -0.013 0.000 2.017 1074 L HA -0.164 4.174 4.340 -0.003 0.000 0.208 1074 L C 2.453 179.154 176.870 -0.282 0.000 1.073 1074 L CA 1.689 56.404 54.840 -0.210 0.000 0.745 1074 L CB -0.696 41.135 42.059 -0.380 0.000 0.894 1074 L HN 0.069 nan 8.230 nan 0.000 0.432 1075 R N -0.886 119.306 120.500 -0.512 0.000 2.083 1075 R HA -0.197 4.141 4.340 -0.003 0.000 0.237 1075 R C 2.499 178.655 176.300 -0.240 0.000 1.137 1075 R CA 1.816 57.616 56.100 -0.499 0.000 0.951 1075 R CB -0.599 29.221 30.300 -0.801 0.000 0.851 1075 R HN 0.558 nan 8.270 nan 0.000 0.434 1076 S N -0.314 115.291 115.700 -0.158 0.000 2.353 1076 S HA -0.205 4.263 4.470 -0.003 0.000 0.222 1076 S C 2.025 176.659 174.600 0.056 0.000 1.035 1076 S CA 1.949 60.129 58.200 -0.034 0.000 1.025 1076 S CB -0.497 62.707 63.200 0.006 0.000 0.902 1076 S HN 0.548 nan 8.310 nan 0.000 0.440 1077 S N 0.330 116.132 115.700 0.171 0.000 2.387 1077 S HA -0.074 4.394 4.470 -0.003 0.000 0.230 1077 S C 1.815 176.562 174.600 0.245 0.000 1.035 1077 S CA 1.560 59.970 58.200 0.351 0.000 1.014 1077 S CB -0.553 63.113 63.200 0.777 0.000 0.836 1077 S HN 0.612 nan 8.310 nan 0.000 0.466 1078 I N 1.080 121.596 120.570 -0.089 0.000 2.333 1078 I HA -0.032 4.136 4.170 -0.003 0.000 0.246 1078 I C 2.801 178.868 176.117 -0.084 0.000 1.106 1078 I CA 0.894 61.957 61.300 -0.395 0.000 1.411 1078 I CB -0.475 37.104 38.000 -0.701 0.000 1.082 1078 I HN 0.406 nan 8.210 nan 0.000 0.420 1079 A N 0.373 123.157 122.820 -0.060 0.000 1.933 1079 A HA -0.226 4.092 4.320 -0.003 0.000 0.218 1079 A C 2.171 179.776 177.584 0.034 0.000 1.175 1079 A CA 1.596 53.620 52.037 -0.021 0.000 0.628 1079 A CB -0.544 18.433 19.000 -0.038 0.000 0.814 1079 A HN 0.408 nan 8.150 nan 0.000 0.444 1080 E N -1.653 118.595 120.200 0.079 0.000 2.077 1080 E HA -0.183 4.165 4.350 -0.003 0.000 0.193 1080 E C 1.716 178.407 176.600 0.152 0.000 0.989 1080 E CA 1.353 57.817 56.400 0.107 0.000 0.800 1080 E CB -0.213 29.573 29.700 0.142 0.000 0.746 1080 E HN 0.708 nan 8.360 nan 0.000 0.452 1081 F N 1.023 121.009 119.950 0.061 0.000 2.234 1081 F HA -0.000 4.525 4.527 -0.003 0.000 0.296 1081 F C 0.497 176.334 175.800 0.061 0.000 1.089 1081 F CA 0.943 59.000 58.000 0.096 0.000 1.343 1081 F CB 0.405 39.537 39.000 0.220 0.000 1.040 1081 F HN -0.262 nan 8.300 nan 0.000 0.498 1082 K N 0.291 120.728 120.400 0.062 0.000 3.150 1082 K HA -0.161 4.157 4.320 -0.003 0.000 0.267 1082 K C -2.511 174.076 176.600 -0.021 0.000 1.028 1082 K CA 0.377 56.648 56.287 -0.027 0.000 0.753 1082 K CB -2.101 30.348 32.500 -0.085 0.000 1.288 1082 K HN 0.273 nan 8.250 nan 0.000 0.473 1083 P HA 0.005 nan 4.420 nan 0.000 0.272 1083 P C 0.163 177.567 177.300 0.173 0.000 1.254 1083 P CA 0.276 63.575 63.100 0.331 0.000 0.795 1083 P CB 0.469 32.484 31.700 0.525 0.000 1.022 1084 E N -1.012 119.312 120.200 0.206 0.000 2.508 1084 E HA 0.266 4.614 4.350 -0.003 0.000 0.217 1084 E C 0.108 176.847 176.600 0.231 0.000 0.896 1084 E CA 0.110 56.624 56.400 0.190 0.000 1.118 1084 E CB 0.456 30.292 29.700 0.227 0.000 1.133 1084 E HN 0.341 nan 8.360 nan 0.000 0.526 1085 I N 1.597 122.320 120.570 0.256 0.000 2.533 1085 I HA 0.325 4.493 4.170 -0.003 0.000 0.290 1085 I C -1.009 175.264 176.117 0.259 0.000 1.056 1085 I CA -1.030 60.416 61.300 0.243 0.000 1.057 1085 I CB 2.533 40.742 38.000 0.348 0.000 1.240 1085 I HN -0.247 nan 8.210 nan 0.000 0.423 1086 V N 6.305 126.274 119.914 0.091 0.000 2.531 1086 V HA 0.450 4.569 4.120 -0.003 0.000 0.301 1086 V C -1.007 175.073 176.094 -0.023 0.000 1.034 1086 V CA -0.536 61.857 62.300 0.155 0.000 0.865 1086 V CB 1.915 33.804 31.823 0.111 0.000 0.995 1086 V HN 0.372 nan 8.190 nan 0.000 0.424 1087 F N 3.295 123.367 119.950 0.203 0.000 2.402 1087 F HA 0.459 4.984 4.527 -0.003 0.000 0.355 1087 F C 0.132 176.043 175.800 0.186 0.000 1.123 1087 F CA -0.600 57.486 58.000 0.144 0.000 1.021 1087 F CB 1.106 40.164 39.000 0.097 0.000 1.160 1087 F HN 0.561 nan 8.300 nan 0.000 0.451 1088 H N 5.125 124.294 119.070 0.164 0.000 2.690 1088 H HA 0.431 4.985 4.556 -0.003 0.000 0.289 1088 H C -0.091 175.295 175.328 0.098 0.000 1.089 1088 H CA -0.609 55.509 56.048 0.117 0.000 1.299 1088 H CB 0.721 30.516 29.762 0.054 0.000 1.405 1088 H HN 0.686 nan 8.280 nan 0.000 0.463 1089 M N 3.444 122.998 119.600 -0.077 0.000 2.289 1089 M HA 0.390 4.868 4.480 -0.003 0.000 0.335 1089 M C 0.585 176.806 176.300 -0.132 0.000 0.961 1089 M CA -0.473 54.745 55.300 -0.138 0.000 1.018 1089 M CB 0.754 33.363 32.600 0.015 0.000 1.678 1089 M HN 0.468 nan 8.290 nan 0.000 0.589 1090 A N 2.237 124.997 122.820 -0.100 0.000 2.491 1090 A HA 0.687 5.005 4.320 -0.003 0.000 0.261 1090 A C 0.268 177.834 177.584 -0.031 0.000 1.101 1090 A CA 0.234 52.279 52.037 0.014 0.000 0.772 1090 A CB -0.217 18.877 19.000 0.157 0.000 1.043 1090 A HN 0.558 nan 8.150 nan 0.000 0.501 1091 A N 2.357 125.177 122.820 0.001 0.000 2.612 1091 A HA 0.617 4.935 4.320 -0.003 0.000 0.293 1091 A C -0.811 176.800 177.584 0.044 0.000 1.075 1091 A CA -0.561 51.488 52.037 0.020 0.000 0.680 1091 A CB 1.064 20.079 19.000 0.026 0.000 1.279 1091 A HN 0.748 nan 8.150 nan 0.000 0.411 1092 Q N 1.678 121.515 119.800 0.062 0.000 2.377 1092 Q HA 0.389 4.727 4.340 -0.003 0.000 0.249 1092 Q C -2.108 173.947 176.000 0.092 0.000 1.005 1092 Q CA -2.091 53.743 55.803 0.051 0.000 0.912 1092 Q CB 1.121 29.885 28.738 0.043 0.000 1.223 1092 Q HN 0.466 nan 8.270 nan 0.000 0.459 1093 P HA 0.105 nan 4.420 nan 0.000 0.257 1093 P C -0.281 176.645 177.300 -0.624 0.000 1.241 1093 P CA 0.029 63.028 63.100 -0.169 0.000 0.816 1093 P CB 0.521 32.183 31.700 -0.064 0.000 1.150 1094 L N -0.136 120.863 121.223 -0.374 0.000 2.292 1094 L HA 0.157 4.495 4.340 -0.003 0.000 0.284 1094 L C 1.838 178.531 176.870 -0.295 0.000 1.065 1094 L CA -0.190 54.448 54.840 -0.336 0.000 0.806 1094 L CB 0.887 42.866 42.059 -0.134 0.000 1.175 1094 L HN -0.314 nan 8.230 nan 0.000 0.431 1095 V N 3.080 122.832 119.914 -0.270 0.000 2.307 1095 V HA -0.220 3.898 4.120 -0.003 0.000 0.245 1095 V C 2.385 178.580 176.094 0.168 0.000 1.045 1095 V CA 1.809 64.107 62.300 -0.003 0.000 1.024 1095 V CB -0.856 31.011 31.823 0.072 0.000 0.651 1095 V HN 0.917 nan 8.190 nan 0.000 0.449 1096 R N 0.877 121.450 120.500 0.120 0.000 2.094 1096 R HA -0.221 4.117 4.340 -0.003 0.000 0.239 1096 R C 2.391 178.789 176.300 0.164 0.000 1.137 1096 R CA 2.199 58.388 56.100 0.149 0.000 0.943 1096 R CB -1.143 29.185 30.300 0.047 0.000 0.850 1096 R HN 0.471 nan 8.270 nan 0.000 0.433 1097 L N 2.088 123.356 121.223 0.074 0.000 1.989 1097 L HA -0.232 4.106 4.340 -0.003 0.000 0.211 1097 L C 2.730 179.647 176.870 0.077 0.000 1.071 1097 L CA 2.232 57.108 54.840 0.061 0.000 0.749 1097 L CB -0.494 41.574 42.059 0.015 0.000 0.890 1097 L HN 0.475 nan 8.230 nan 0.000 0.431 1098 S N -1.000 114.724 115.700 0.041 0.000 2.421 1098 S HA -0.354 4.114 4.470 -0.003 0.000 0.239 1098 S C 1.807 176.354 174.600 -0.088 0.000 1.054 1098 S CA 2.071 60.250 58.200 -0.036 0.000 1.035 1098 S CB -1.204 61.963 63.200 -0.055 0.000 0.840 1098 S HN 0.650 nan 8.310 nan 0.000 0.475 1099 Y N 2.269 122.595 120.300 0.042 0.000 2.286 1099 Y HA 0.073 4.621 4.550 -0.003 0.000 0.293 1099 Y C 2.821 178.746 175.900 0.042 0.000 1.124 1099 Y CA 1.278 59.407 58.100 0.048 0.000 1.178 1099 Y CB -0.017 38.473 38.460 0.049 0.000 1.010 1099 Y HN 0.398 nan 8.280 nan 0.000 0.536 1100 E N -0.728 119.582 120.200 0.184 0.000 2.190 1100 E HA -0.038 4.310 4.350 -0.003 0.000 0.191 1100 E C 0.419 177.067 176.600 0.080 0.000 0.978 1100 E CA 0.622 57.093 56.400 0.118 0.000 0.839 1100 E CB -0.072 29.683 29.700 0.091 0.000 0.787 1100 E HN 0.362 nan 8.360 nan 0.000 0.473 1101 Q N 0.697 120.537 119.800 0.066 0.000 2.490 1101 Q HA 0.204 4.542 4.340 -0.003 0.000 0.397 1101 Q C -1.918 174.111 176.000 0.047 0.000 0.937 1101 Q CA -1.887 53.947 55.803 0.051 0.000 1.108 1101 Q CB 0.912 29.675 28.738 0.041 0.000 1.336 1101 Q HN 0.108 nan 8.270 nan 0.000 0.410 1102 P HA -0.162 nan 4.420 nan 0.000 0.215 1102 P C 1.405 178.815 177.300 0.183 0.000 1.157 1102 P CA 1.138 64.298 63.100 0.100 0.000 0.874 1102 P CB 0.313 32.093 31.700 0.133 0.000 0.790 1103 I N -0.136 120.514 120.570 0.134 0.000 2.208 1103 I HA -0.270 3.898 4.170 -0.003 0.000 0.245 1103 I C 2.701 178.886 176.117 0.114 0.000 1.097 1103 I CA 1.714 63.089 61.300 0.125 0.000 1.363 1103 I CB -0.593 37.449 38.000 0.071 0.000 1.051 1103 I HN 0.006 nan 8.210 nan 0.000 0.413 1104 K N 0.798 121.245 120.400 0.079 0.000 2.026 1104 K HA -0.180 4.138 4.320 -0.003 0.000 0.208 1104 K C 2.070 178.700 176.600 0.050 0.000 1.048 1104 K CA 2.083 58.406 56.287 0.060 0.000 0.929 1104 K CB -0.122 32.405 32.500 0.046 0.000 0.713 1104 K HN 0.196 nan 8.250 nan 0.000 0.439 1105 T N 0.134 114.702 114.554 0.023 0.000 2.684 1105 T HA -0.164 4.184 4.350 -0.003 0.000 0.267 1105 T C 1.619 176.275 174.700 -0.072 0.000 1.036 1105 T CA 1.744 63.815 62.100 -0.048 0.000 1.148 1105 T CB -0.465 68.321 68.868 -0.136 0.000 0.863 1105 T HN 0.298 nan 8.240 nan 0.000 0.436 1106 Y N 1.867 122.158 120.300 -0.015 0.000 2.163 1106 Y HA -0.161 4.387 4.550 -0.003 0.000 0.288 1106 Y C 3.109 178.989 175.900 -0.032 0.000 1.136 1106 Y CA 1.298 59.378 58.100 -0.034 0.000 1.147 1106 Y CB -0.403 38.031 38.460 -0.044 0.000 0.987 1106 Y HN 0.278 nan 8.280 nan 0.000 0.509 1107 S N -1.288 114.494 115.700 0.138 0.000 2.382 1107 S HA -0.190 4.278 4.470 -0.003 0.000 0.228 1107 S C 1.896 176.515 174.600 0.033 0.000 1.027 1107 S CA 1.669 59.907 58.200 0.064 0.000 0.991 1107 S CB -1.050 62.188 63.200 0.063 0.000 0.823 1107 S HN 0.369 nan 8.310 nan 0.000 0.469 1108 T N 3.083 117.666 114.554 0.048 0.000 2.668 1108 T HA -0.019 4.329 4.350 -0.003 0.000 0.262 1108 T C 1.814 176.537 174.700 0.039 0.000 1.045 1108 T CA 1.511 63.640 62.100 0.048 0.000 1.152 1108 T CB -0.580 68.318 68.868 0.051 0.000 0.864 1108 T HN 0.412 nan 8.240 nan 0.000 0.419 1109 N N 0.759 119.467 118.700 0.013 0.000 2.142 1109 N HA -0.039 4.699 4.740 -0.003 0.000 0.186 1109 N C 1.902 177.414 175.510 0.003 0.000 1.023 1109 N CA 0.792 53.836 53.050 -0.011 0.000 0.852 1109 N CB -0.526 37.911 38.487 -0.085 0.000 0.998 1109 N HN 0.229 nan 8.380 nan 0.000 0.424 1110 V N 0.928 120.852 119.914 0.017 0.000 2.436 1110 V HA 0.019 4.137 4.120 -0.003 0.000 0.240 1110 V C 2.251 178.312 176.094 -0.055 0.000 1.040 1110 V CA 0.788 63.096 62.300 0.013 0.000 1.052 1110 V CB -0.283 31.584 31.823 0.073 0.000 0.707 1110 V HN 0.126 nan 8.190 nan 0.000 0.469 1111 M N 0.987 120.526 119.600 -0.101 0.000 2.159 1111 M HA -0.069 4.409 4.480 -0.003 0.000 0.263 1111 M C 2.301 178.324 176.300 -0.462 0.000 1.063 1111 M CA 2.023 57.138 55.300 -0.308 0.000 1.110 1111 M CB -1.826 30.576 32.600 -0.331 0.000 1.374 1111 M HN 0.453 nan 8.290 nan 0.000 0.411 1112 G N -0.155 108.535 108.800 -0.184 0.000 2.422 1112 G HA2 -0.194 3.764 3.960 -0.003 0.000 0.218 1112 G HA3 -0.194 3.764 3.960 -0.003 0.000 0.218 1112 G C 1.577 176.459 174.900 -0.030 0.000 1.146 1112 G CA 1.512 46.593 45.100 -0.031 0.000 0.769 1112 G HN 0.416 nan 8.290 nan 0.000 0.547 1113 T N 0.755 115.322 114.554 0.021 0.000 2.777 1113 T HA -0.085 4.263 4.350 -0.003 0.000 0.266 1113 T C 2.595 177.149 174.700 -0.243 0.000 1.040 1113 T CA 1.174 63.256 62.100 -0.029 0.000 1.141 1113 T CB -0.222 68.685 68.868 0.065 0.000 0.868 1113 T HN 0.071 nan 8.240 nan 0.000 0.444 1114 V N 1.135 120.919 119.914 -0.217 0.000 2.295 1114 V HA -0.239 3.879 4.120 -0.003 0.000 0.246 1114 V C 2.192 178.168 176.094 -0.197 0.000 1.049 1114 V CA 1.746 63.884 62.300 -0.270 0.000 1.024 1114 V CB -0.804 30.964 31.823 -0.092 0.000 0.648 1114 V HN 0.661 nan 8.190 nan 0.000 0.447 1115 H N -0.847 118.147 119.070 -0.128 0.000 2.290 1115 H HA -0.171 4.383 4.556 -0.003 0.000 0.298 1115 H C 2.383 177.711 175.328 -0.001 0.000 1.087 1115 H CA 1.577 57.640 56.048 0.024 0.000 1.291 1115 H CB -0.040 29.793 29.762 0.119 0.000 1.369 1115 H HN 0.219 nan 8.280 nan 0.000 0.492 1116 L N 1.239 122.418 121.223 -0.074 0.000 1.989 1116 L HA -0.190 4.148 4.340 -0.003 0.000 0.211 1116 L C 2.132 178.884 176.870 -0.196 0.000 1.071 1116 L CA 1.637 56.330 54.840 -0.246 0.000 0.749 1116 L CB -0.787 40.875 42.059 -0.662 0.000 0.890 1116 L HN 0.352 nan 8.230 nan 0.000 0.431 1117 L N -0.335 120.692 121.223 -0.327 0.000 2.141 1117 L HA -0.184 4.155 4.340 -0.003 0.000 0.209 1117 L C 2.481 179.309 176.870 -0.071 0.000 1.094 1117 L CA 1.057 55.724 54.840 -0.289 0.000 0.763 1117 L CB -0.517 41.006 42.059 -0.894 0.000 0.908 1117 L HN 0.282 nan 8.230 nan 0.000 0.437 1118 E N 0.693 120.836 120.200 -0.096 0.000 2.152 1118 E HA -0.171 4.177 4.350 -0.003 0.000 0.192 1118 E C 2.122 178.845 176.600 0.204 0.000 0.983 1118 E CA 1.905 58.395 56.400 0.149 0.000 0.818 1118 E CB -0.210 29.502 29.700 0.020 0.000 0.758 1118 E HN 0.471 nan 8.360 nan 0.000 0.467 1119 T N -0.152 114.556 114.554 0.257 0.000 2.737 1119 T HA -0.102 4.246 4.350 -0.003 0.000 0.265 1119 T C 2.066 176.796 174.700 0.050 0.000 1.038 1119 T CA 1.952 64.151 62.100 0.164 0.000 1.144 1119 T CB -0.815 68.046 68.868 -0.012 0.000 0.866 1119 T HN 0.037 nan 8.240 nan 0.000 0.434 1120 V N 1.311 121.243 119.914 0.031 0.000 2.380 1120 V HA -0.218 3.900 4.120 -0.003 0.000 0.251 1120 V C 2.705 178.872 176.094 0.122 0.000 1.063 1120 V CA 2.291 64.609 62.300 0.031 0.000 1.055 1120 V CB -0.379 31.458 31.823 0.023 0.000 0.657 1120 V HN 0.636 nan 8.190 nan 0.000 0.455 1121 K N -0.434 120.092 120.400 0.209 0.000 1.985 1121 K HA -0.229 4.089 4.320 -0.003 0.000 0.210 1121 K C 2.240 178.892 176.600 0.085 0.000 1.047 1121 K CA 1.983 58.390 56.287 0.201 0.000 0.932 1121 K CB -0.186 32.351 32.500 0.061 0.000 0.716 1121 K HN 0.519 nan 8.250 nan 0.000 0.439 1122 Q N 0.173 120.010 119.800 0.062 0.000 2.050 1122 Q HA -0.134 4.204 4.340 -0.003 0.000 0.202 1122 Q C 2.214 178.235 176.000 0.034 0.000 0.980 1122 Q CA 1.575 57.405 55.803 0.045 0.000 0.840 1122 Q CB -0.043 28.750 28.738 0.091 0.000 0.898 1122 Q HN 0.134 nan 8.270 nan 0.000 0.424 1123 V N -0.194 119.735 119.914 0.024 0.000 2.220 1123 V HA -0.172 3.946 4.120 -0.003 0.000 0.246 1123 V C 1.203 177.306 176.094 0.015 0.000 1.049 1123 V CA 1.807 64.107 62.300 0.001 0.000 1.003 1123 V CB -1.057 30.745 31.823 -0.034 0.000 0.634 1123 V HN 0.730 nan 8.190 nan 0.000 0.444 1124 G N -1.146 107.671 108.800 0.030 0.000 2.655 1124 G HA2 -0.153 3.805 3.960 -0.003 0.000 0.680 1124 G HA3 -0.153 3.805 3.960 -0.003 0.000 0.680 1124 G C -0.075 174.837 174.900 0.021 0.000 1.302 1124 G CA -0.139 44.985 45.100 0.040 0.000 0.872 1124 G HN 0.634 nan 8.290 nan 0.000 0.540 1125 N N -2.009 116.703 118.700 0.021 0.000 2.782 1125 N HA -0.207 4.531 4.740 -0.003 0.000 0.251 1125 N C 0.116 175.633 175.510 0.013 0.000 1.101 1125 N CA 1.622 54.677 53.050 0.010 0.000 0.764 1125 N CB -1.040 37.449 38.487 0.003 0.000 1.122 1125 N HN 0.862 nan 8.380 nan 0.000 0.561 1126 I N 1.340 121.913 120.570 0.004 0.000 2.330 1126 I HA 0.165 4.333 4.170 -0.003 0.000 0.289 1126 I C 1.493 177.590 176.117 -0.034 0.000 1.001 1126 I CA -0.522 60.778 61.300 0.000 0.000 1.193 1126 I CB 1.413 39.401 38.000 -0.019 0.000 1.345 1126 I HN -0.146 nan 8.210 nan 0.000 0.461 1127 K N 4.748 125.138 120.400 -0.017 0.000 2.262 1127 K HA 0.414 4.732 4.320 -0.003 0.000 0.200 1127 K C 0.416 176.987 176.600 -0.049 0.000 1.049 1127 K CA 0.346 56.574 56.287 -0.098 0.000 0.979 1127 K CB 0.407 32.717 32.500 -0.317 0.000 0.773 1127 K HN 0.591 nan 8.250 nan 0.000 0.474 1128 A N 1.442 124.278 122.820 0.027 0.000 2.402 1128 A HA 0.533 4.851 4.320 -0.003 0.000 0.291 1128 A C -1.001 176.536 177.584 -0.078 0.000 1.051 1128 A CA -0.656 51.381 52.037 -0.000 0.000 0.716 1128 A CB 1.639 20.704 19.000 0.109 0.000 1.223 1128 A HN -0.070 nan 8.150 nan 0.000 0.425 1129 V N 2.436 122.271 119.914 -0.131 0.000 2.487 1129 V HA 0.537 4.655 4.120 -0.003 0.000 0.298 1129 V C -0.450 175.552 176.094 -0.153 0.000 1.028 1129 V CA -0.626 61.584 62.300 -0.150 0.000 0.860 1129 V CB 1.652 33.389 31.823 -0.144 0.000 0.991 1129 V HN 0.645 nan 8.190 nan 0.000 0.427 1130 V N 4.067 123.839 119.914 -0.237 0.000 2.326 1130 V HA 0.363 4.481 4.120 -0.003 0.000 0.281 1130 V C -0.086 175.960 176.094 -0.079 0.000 1.015 1130 V CA -0.592 61.589 62.300 -0.198 0.000 0.823 1130 V CB 1.455 33.051 31.823 -0.379 0.000 1.009 1130 V HN 0.928 nan 8.190 nan 0.000 0.436 1131 N N 4.770 123.457 118.700 -0.021 0.000 2.420 1131 N HA 0.376 5.114 4.740 -0.003 0.000 0.249 1131 N C -0.751 174.721 175.510 -0.064 0.000 1.033 1131 N CA -0.331 52.733 53.050 0.023 0.000 0.944 1131 N CB 0.840 39.372 38.487 0.075 0.000 1.113 1131 N HN 0.488 nan 8.380 nan 0.000 0.502 1132 I N 3.116 123.616 120.570 -0.116 0.000 2.379 1132 I HA 0.124 4.292 4.170 -0.003 0.000 0.290 1132 I C 1.529 177.580 176.117 -0.109 0.000 1.063 1132 I CA 0.125 61.324 61.300 -0.169 0.000 1.351 1132 I CB 0.700 38.609 38.000 -0.152 0.000 1.410 1132 I HN 0.769 nan 8.210 nan 0.000 0.505 1133 T N 1.437 115.946 114.554 -0.076 0.000 2.589 1133 T HA 0.616 4.964 4.350 -0.003 0.000 0.178 1133 T C 0.396 175.075 174.700 -0.036 0.000 0.708 1133 T CA 0.081 62.134 62.100 -0.078 0.000 1.734 1133 T CB 0.623 69.425 68.868 -0.109 0.000 2.792 1133 T HN 0.519 nan 8.240 nan 0.000 0.406 1134 S N 0.202 115.878 115.700 -0.040 0.000 2.622 1134 S HA 0.262 4.730 4.470 -0.003 0.000 0.275 1134 S C -0.700 173.909 174.600 0.014 0.000 1.112 1134 S CA 0.222 58.435 58.200 0.021 0.000 0.837 1134 S CB 1.168 64.358 63.200 -0.016 0.000 1.082 1134 S HN 0.745 nan 8.310 nan 0.000 0.456 1135 D N 2.018 122.481 120.400 0.104 0.000 2.310 1135 D HA -0.069 4.569 4.640 -0.003 0.000 0.212 1135 D C 0.926 177.300 176.300 0.125 0.000 0.965 1135 D CA 0.814 54.913 54.000 0.165 0.000 0.879 1135 D CB -0.123 40.796 40.800 0.199 0.000 0.921 1135 D HN 0.592 nan 8.370 nan 0.000 0.510 1136 K N 0.165 120.587 120.400 0.037 0.000 2.487 1136 K HA 0.062 4.380 4.320 -0.003 0.000 0.192 1136 K C 2.002 178.513 176.600 -0.148 0.000 1.027 1136 K CA 0.422 56.698 56.287 -0.018 0.000 1.054 1136 K CB -0.009 32.506 32.500 0.026 0.000 0.824 1136 K HN 0.376 nan 8.250 nan 0.000 0.510 1137 C N -0.417 118.734 119.300 -0.248 0.000 2.432 1137 C HA 0.001 4.459 4.460 -0.003 0.000 0.280 1137 C C 1.196 175.969 174.990 -0.362 0.000 1.353 1137 C CA -0.654 58.160 59.018 -0.340 0.000 1.766 1137 C CB -1.270 26.216 27.740 -0.422 0.000 1.924 1137 C HN 0.166 nan 8.230 nan 0.000 0.509 1138 Y N 1.996 122.153 120.300 -0.239 0.000 2.480 1138 Y HA 0.294 4.842 4.550 -0.003 0.000 0.338 1138 Y C 0.790 176.468 175.900 -0.370 0.000 1.220 1138 Y CA 0.222 58.102 58.100 -0.368 0.000 1.430 1138 Y CB 0.107 38.121 38.460 -0.744 0.000 1.311 1138 Y HN 0.140 nan 8.280 nan 0.000 0.575 1139 D N 2.816 123.152 120.400 -0.106 0.000 2.412 1139 D HA -0.127 4.511 4.640 -0.003 0.000 0.257 1139 D C -0.336 175.829 176.300 -0.224 0.000 1.217 1139 D CA 0.101 54.031 54.000 -0.117 0.000 0.897 1139 D CB 0.150 40.913 40.800 -0.061 0.000 1.132 1139 D HN 0.379 nan 8.370 nan 0.000 0.493 1140 N N 3.805 122.408 118.700 -0.161 0.000 2.402 1140 N HA 0.002 4.740 4.740 -0.003 0.000 0.259 1140 N C 0.523 175.931 175.510 -0.171 0.000 1.167 1140 N CA -0.212 52.749 53.050 -0.149 0.000 0.949 1140 N CB 0.298 38.755 38.487 -0.049 0.000 1.212 1140 N HN 0.315 nan 8.380 nan 0.000 0.493 1141 R N 2.033 122.341 120.500 -0.319 0.000 2.323 1141 R HA 0.016 4.354 4.340 -0.003 0.000 0.198 1141 R C -0.284 175.738 176.300 -0.463 0.000 0.988 1141 R CA 0.050 55.794 56.100 -0.593 0.000 1.041 1141 R CB -0.229 29.231 30.300 -1.400 0.000 0.926 1141 R HN 0.552 nan 8.270 nan 0.000 0.476 1142 E N 0.382 120.402 120.200 -0.301 0.000 2.228 1142 E HA -0.198 4.150 4.350 -0.003 0.000 0.213 1142 E C -0.539 175.763 176.600 -0.496 0.000 1.282 1142 E CA 1.169 57.393 56.400 -0.293 0.000 0.707 1142 E CB -1.696 27.869 29.700 -0.225 0.000 1.150 1142 E HN 0.396 nan 8.360 nan 0.000 0.362 1143 W N -2.331 118.764 121.300 -0.342 0.000 2.958 1143 W HA 0.625 5.282 4.660 -0.004 0.000 0.339 1143 W C 0.892 177.157 176.519 -0.423 0.000 1.174 1143 W CA -0.766 56.313 57.345 -0.443 0.000 1.064 1143 W CB -0.421 28.857 29.460 -0.302 0.000 1.471 1143 W HN -0.222 nan 8.180 nan 0.000 0.599 1144 V N 0.982 120.652 119.914 -0.406 0.000 2.719 1144 V HA 0.040 4.158 4.120 -0.003 0.000 0.252 1144 V C 0.485 176.171 176.094 -0.680 0.000 1.065 1144 V CA 0.630 62.569 62.300 -0.601 0.000 1.086 1144 V CB -0.495 30.841 31.823 -0.810 0.000 0.700 1144 V HN 0.373 nan 8.190 nan 0.000 0.467 1145 W N 0.749 121.721 121.300 -0.547 0.000 2.170 1145 W HA 0.475 5.134 4.660 -0.003 0.000 0.336 1145 W C 0.797 177.036 176.519 -0.467 0.000 1.283 1145 W CA -0.099 56.832 57.345 -0.691 0.000 1.224 1145 W CB -0.136 28.622 29.460 -1.169 0.000 1.132 1145 W HN 0.241 nan 8.180 nan 0.000 0.571 1146 G N 1.861 110.580 108.800 -0.135 0.000 2.370 1146 G HA2 0.328 4.286 3.960 -0.003 0.000 0.272 1146 G HA3 0.328 4.286 3.960 -0.003 0.000 0.272 1146 G C -1.193 173.586 174.900 -0.201 0.000 1.208 1146 G CA -0.525 44.511 45.100 -0.106 0.000 0.856 1146 G HN 0.339 nan 8.290 nan 0.000 0.500 1147 Y N 0.921 121.190 120.300 -0.052 0.000 2.480 1147 Y HA 0.214 4.762 4.550 -0.003 0.000 0.338 1147 Y C 1.510 177.217 175.900 -0.322 0.000 1.220 1147 Y CA 0.314 58.230 58.100 -0.305 0.000 1.430 1147 Y CB 0.797 38.671 38.460 -0.976 0.000 1.311 1147 Y HN 0.389 nan 8.280 nan 0.000 0.575 1148 R N 1.406 121.833 120.500 -0.122 0.000 2.598 1148 R HA 0.196 4.534 4.340 -0.003 0.000 0.279 1148 R C 0.529 176.827 176.300 -0.004 0.000 0.984 1148 R CA -0.805 55.256 56.100 -0.065 0.000 0.999 1148 R CB 0.921 31.190 30.300 -0.053 0.000 1.114 1148 R HN 0.639 nan 8.270 nan 0.000 0.493 1149 E N 0.988 121.206 120.200 0.029 0.000 2.265 1149 E HA -0.175 4.173 4.350 -0.003 0.000 0.196 1149 E C 0.907 177.570 176.600 0.106 0.000 0.996 1149 E CA 1.048 57.510 56.400 0.104 0.000 0.832 1149 E CB -0.077 29.574 29.700 -0.082 0.000 0.756 1149 E HN 0.510 nan 8.360 nan 0.000 0.491 1150 N N 0.650 119.378 118.700 0.047 0.000 2.383 1150 N HA -0.058 4.680 4.740 -0.003 0.000 0.192 1150 N C -0.183 175.382 175.510 0.092 0.000 1.141 1150 N CA 0.155 53.227 53.050 0.037 0.000 0.851 1150 N CB 0.064 38.545 38.487 -0.011 0.000 0.976 1150 N HN 0.121 nan 8.380 nan 0.000 0.465 1151 E N 0.820 121.125 120.200 0.176 0.000 2.314 1151 E HA 0.308 4.656 4.350 -0.003 0.000 0.262 1151 E C -2.292 174.446 176.600 0.230 0.000 1.093 1151 E CA -1.966 54.559 56.400 0.207 0.000 0.908 1151 E CB 0.311 30.159 29.700 0.247 0.000 1.091 1151 E HN 0.199 nan 8.360 nan 0.000 0.425 1152 P HA 0.041 nan 4.420 nan 0.000 0.271 1152 P C -0.583 176.760 177.300 0.072 0.000 1.216 1152 P CA 0.182 63.335 63.100 0.089 0.000 0.776 1152 P CB 0.466 32.197 31.700 0.052 0.000 0.881 1153 M N 1.325 120.922 119.600 -0.006 0.000 2.283 1153 M HA 0.594 5.072 4.480 -0.003 0.000 0.314 1153 M C 1.024 177.283 176.300 -0.069 0.000 1.153 1153 M CA 0.153 55.405 55.300 -0.081 0.000 1.084 1153 M CB 0.921 33.451 32.600 -0.117 0.000 1.468 1153 M HN 0.702 nan 8.290 nan 0.000 0.474 1154 G N -0.373 108.370 108.800 -0.094 0.000 2.725 1154 G HA2 0.558 4.516 3.960 -0.003 0.000 0.098 1154 G HA3 0.558 4.516 3.960 -0.003 0.000 0.098 1154 G C -0.754 174.100 174.900 -0.077 0.000 1.188 1154 G CA 0.259 45.318 45.100 -0.068 0.000 1.237 1154 G HN 1.168 nan 8.290 nan 0.000 0.596 1155 G N -1.942 106.832 108.800 -0.044 0.000 2.801 1155 G HA2 0.356 4.314 3.960 -0.003 0.000 0.648 1155 G HA3 0.356 4.314 3.960 -0.003 0.000 0.648 1155 G C -0.265 174.658 174.900 0.038 0.000 1.415 1155 G CA 0.493 45.580 45.100 -0.023 0.000 0.887 1155 G HN 1.468 nan 8.290 nan 0.000 0.627 1156 Y N 1.602 121.885 120.300 -0.027 0.000 2.231 1156 Y HA 0.147 4.696 4.550 -0.003 0.000 0.294 1156 Y C 1.559 177.463 175.900 0.007 0.000 1.120 1156 Y CA 1.834 59.938 58.100 0.007 0.000 1.141 1156 Y CB 0.305 38.788 38.460 0.037 0.000 1.022 1156 Y HN 0.711 nan 8.280 nan 0.000 0.523 1157 D N -0.234 120.277 120.400 0.185 0.000 2.388 1157 D HA 0.103 4.741 4.640 -0.003 0.000 0.254 1157 D C -2.118 174.056 176.300 -0.210 0.000 1.111 1157 D CA -1.793 52.169 54.000 -0.065 0.000 0.993 1157 D CB 1.214 42.055 40.800 0.068 0.000 1.118 1157 D HN 0.011 nan 8.370 nan 0.000 0.502 1158 P HA -0.167 nan 4.420 nan 0.000 0.216 1158 P C 1.416 178.458 177.300 -0.429 0.000 1.150 1158 P CA 1.178 64.062 63.100 -0.359 0.000 0.837 1158 P CB -0.231 31.278 31.700 -0.317 0.000 0.786 1159 Y N 0.698 120.797 120.300 -0.336 0.000 2.114 1159 Y HA -0.204 4.344 4.550 -0.003 0.000 0.284 1159 Y C 2.341 178.120 175.900 -0.201 0.000 1.143 1159 Y CA 2.036 59.984 58.100 -0.253 0.000 1.135 1159 Y CB -1.002 37.376 38.460 -0.137 0.000 0.980 1159 Y HN -0.153 nan 8.280 nan 0.000 0.499 1160 S N 0.785 116.257 115.700 -0.379 0.000 2.359 1160 S HA -0.243 4.225 4.470 -0.003 0.000 0.224 1160 S C 1.978 176.389 174.600 -0.315 0.000 1.035 1160 S CA 1.358 59.347 58.200 -0.352 0.000 1.018 1160 S CB -0.678 62.486 63.200 -0.059 0.000 0.876 1160 S HN 0.636 nan 8.310 nan 0.000 0.448 1161 N N 1.222 119.787 118.700 -0.225 0.000 2.166 1161 N HA -0.142 4.596 4.740 -0.003 0.000 0.186 1161 N C 1.896 177.309 175.510 -0.162 0.000 1.019 1161 N CA 1.665 54.634 53.050 -0.134 0.000 0.856 1161 N CB -0.185 38.296 38.487 -0.009 0.000 0.993 1161 N HN 0.519 nan 8.380 nan 0.000 0.426 1162 S N 0.490 115.947 115.700 -0.405 0.000 2.383 1162 S HA -0.059 4.409 4.470 -0.003 0.000 0.229 1162 S C 1.757 176.205 174.600 -0.253 0.000 1.030 1162 S CA 0.700 58.664 58.200 -0.392 0.000 1.002 1162 S CB -0.111 62.710 63.200 -0.632 0.000 0.829 1162 S HN 0.193 nan 8.310 nan 0.000 0.467 1163 K N 1.222 121.405 120.400 -0.362 0.000 2.155 1163 K HA 0.113 4.431 4.320 -0.003 0.000 0.203 1163 K C 2.378 178.845 176.600 -0.221 0.000 1.052 1163 K CA 1.121 57.222 56.287 -0.309 0.000 0.948 1163 K CB -1.159 31.087 32.500 -0.423 0.000 0.728 1163 K HN 0.550 nan 8.250 nan 0.000 0.448 1164 G N 0.797 109.475 108.800 -0.202 0.000 2.408 1164 G HA2 -0.214 3.744 3.960 -0.003 0.000 0.217 1164 G HA3 -0.214 3.744 3.960 -0.003 0.000 0.217 1164 G C 1.778 176.617 174.900 -0.102 0.000 1.150 1164 G CA 0.716 45.718 45.100 -0.163 0.000 0.776 1164 G HN 0.258 nan 8.290 nan 0.000 0.542 1165 C N 0.878 120.143 119.300 -0.060 0.000 2.446 1165 C HA 0.212 4.670 4.460 -0.003 0.000 0.277 1165 C C 3.516 178.494 174.990 -0.020 0.000 1.275 1165 C CA 0.740 59.749 59.018 -0.014 0.000 1.727 1165 C CB -0.844 26.930 27.740 0.057 0.000 2.010 1165 C HN 0.558 nan 8.230 nan 0.000 0.486 1166 A N 0.388 123.181 122.820 -0.044 0.000 1.933 1166 A HA -0.176 4.142 4.320 -0.003 0.000 0.218 1166 A C 2.126 179.694 177.584 -0.028 0.000 1.175 1166 A CA 1.561 53.579 52.037 -0.032 0.000 0.628 1166 A CB -0.424 18.543 19.000 -0.054 0.000 0.814 1166 A HN 0.607 nan 8.150 nan 0.000 0.444 1167 E N -0.481 119.680 120.200 -0.066 0.000 2.106 1167 E HA -0.133 4.215 4.350 -0.003 0.000 0.192 1167 E C 1.930 178.511 176.600 -0.031 0.000 0.984 1167 E CA 0.879 57.238 56.400 -0.068 0.000 0.806 1167 E CB -0.303 29.313 29.700 -0.140 0.000 0.750 1167 E HN 0.503 nan 8.360 nan 0.000 0.458 1168 L N 0.269 121.474 121.223 -0.029 0.000 2.056 1168 L HA -0.152 4.186 4.340 -0.003 0.000 0.207 1168 L C 2.479 179.370 176.870 0.036 0.000 1.078 1168 L CA 0.932 55.767 54.840 -0.008 0.000 0.749 1168 L CB -0.742 41.308 42.059 -0.015 0.000 0.901 1168 L HN -0.051 nan 8.230 nan 0.000 0.433 1169 V N -0.256 119.690 119.914 0.054 0.000 2.252 1169 V HA -0.369 3.749 4.120 -0.003 0.000 0.249 1169 V C 2.709 178.925 176.094 0.203 0.000 1.056 1169 V CA 1.881 64.262 62.300 0.135 0.000 1.022 1169 V CB -1.261 30.610 31.823 0.079 0.000 0.641 1169 V HN 0.525 nan 8.190 nan 0.000 0.445 1170 A N -0.596 122.295 122.820 0.119 0.000 1.948 1170 A HA -0.250 4.068 4.320 -0.003 0.000 0.220 1170 A C 2.468 180.163 177.584 0.185 0.000 1.177 1170 A CA 2.436 54.567 52.037 0.156 0.000 0.636 1170 A CB -0.724 18.336 19.000 0.100 0.000 0.815 1170 A HN 0.528 nan 8.150 nan 0.000 0.449 1171 S N -0.392 115.371 115.700 0.105 0.000 2.355 1171 S HA -0.015 4.453 4.470 -0.003 0.000 0.222 1171 S C 2.332 176.953 174.600 0.035 0.000 1.031 1171 S CA 1.178 59.414 58.200 0.061 0.000 0.993 1171 S CB -0.463 62.745 63.200 0.013 0.000 0.859 1171 S HN 0.819 nan 8.310 nan 0.000 0.453 1172 A N 0.554 123.393 122.820 0.032 0.000 1.930 1172 A HA -0.006 4.312 4.320 -0.003 0.000 0.217 1172 A C 1.852 179.322 177.584 -0.189 0.000 1.175 1172 A CA 1.187 53.175 52.037 -0.082 0.000 0.627 1172 A CB -0.795 18.170 19.000 -0.058 0.000 0.815 1172 A HN 0.445 nan 8.150 nan 0.000 0.443 1173 F N -0.270 119.620 119.950 -0.099 0.000 2.146 1173 F HA -0.079 4.446 4.527 -0.003 0.000 0.298 1173 F C 2.481 178.116 175.800 -0.276 0.000 1.096 1173 F CA 1.779 59.712 58.000 -0.113 0.000 1.275 1173 F CB -0.224 38.811 39.000 0.058 0.000 1.008 1173 F HN 0.167 nan 8.300 nan 0.000 0.480 1174 R N 0.337 120.927 120.500 0.151 0.000 2.073 1174 R HA -0.169 4.169 4.340 -0.003 0.000 0.234 1174 R C 2.070 178.343 176.300 -0.045 0.000 1.134 1174 R CA 1.698 57.906 56.100 0.180 0.000 0.952 1174 R CB -0.330 30.113 30.300 0.238 0.000 0.850 1174 R HN 0.215 nan 8.270 nan 0.000 0.433 1175 N N -0.075 118.554 118.700 -0.118 0.000 2.142 1175 N HA -0.080 4.658 4.740 -0.003 0.000 0.186 1175 N C 1.772 177.091 175.510 -0.320 0.000 1.023 1175 N CA 1.560 54.507 53.050 -0.172 0.000 0.852 1175 N CB -0.166 38.222 38.487 -0.165 0.000 0.998 1175 N HN 0.136 nan 8.380 nan 0.000 0.424 1176 S N -0.104 115.258 115.700 -0.563 0.000 2.377 1176 S HA 0.074 4.542 4.470 -0.003 0.000 0.223 1176 S C 1.266 175.293 174.600 -0.954 0.000 1.030 1176 S CA 0.844 58.483 58.200 -0.934 0.000 0.970 1176 S CB -0.007 62.198 63.200 -1.657 0.000 0.830 1176 S HN 0.260 nan 8.310 nan 0.000 0.473 1177 F N -0.946 118.672 119.950 -0.554 0.000 2.680 1177 F HA 0.427 4.952 4.527 -0.003 0.000 0.290 1177 F C 0.534 175.913 175.800 -0.701 0.000 1.114 1177 F CA -0.591 57.015 58.000 -0.657 0.000 1.333 1177 F CB 0.022 38.498 39.000 -0.873 0.000 1.091 1177 F HN 0.067 nan 8.300 nan 0.000 0.606 1178 F N -0.047 119.764 119.950 -0.231 0.000 2.879 1178 F HA 0.258 4.783 4.527 -0.003 0.000 0.354 1178 F C 0.599 176.153 175.800 -0.411 0.000 1.291 1178 F CA -0.834 56.717 58.000 -0.750 0.000 1.238 1178 F CB -0.281 38.567 39.000 -0.253 0.000 1.005 1178 F HN -0.195 nan 8.300 nan 0.000 0.508 1179 N N 3.256 121.904 118.700 -0.086 0.000 2.294 1179 N HA -0.055 4.683 4.740 -0.003 0.000 0.263 1179 N C -1.613 174.099 175.510 0.336 0.000 1.281 1179 N CA -0.447 52.667 53.050 0.106 0.000 0.846 1179 N CB 1.236 39.752 38.487 0.048 0.000 1.061 1179 N HN 0.038 nan 8.380 nan 0.000 0.478 1180 P HA -0.087 nan 4.420 nan 0.000 0.216 1180 P C 0.735 178.120 177.300 0.142 0.000 1.153 1180 P CA 1.230 64.457 63.100 0.212 0.000 0.848 1180 P CB -0.020 31.758 31.700 0.130 0.000 0.787 1181 A N -0.250 122.631 122.820 0.102 0.000 2.245 1181 A HA -0.133 4.185 4.320 -0.003 0.000 0.217 1181 A C 1.024 178.648 177.584 0.067 0.000 1.171 1181 A CA 1.084 53.157 52.037 0.061 0.000 0.688 1181 A CB -1.194 17.827 19.000 0.035 0.000 0.781 1181 A HN 0.480 nan 8.150 nan 0.000 0.479 1186 H N -0.484 118.628 119.070 0.069 0.000 2.489 1186 H HA 0.214 4.768 4.556 -0.003 0.000 0.293 1186 H C 1.254 176.619 175.328 0.061 0.000 1.066 1186 H CA 1.841 57.947 56.048 0.097 0.000 1.305 1186 H CB -0.432 29.445 29.762 0.191 0.000 1.386 1186 H HN 0.584 nan 8.280 nan 0.000 0.551 1187 G N 0.097 108.730 108.800 -0.279 0.000 2.180 1187 G HA2 -0.325 3.633 3.960 -0.003 0.000 0.263 1187 G HA3 -0.325 3.633 3.960 -0.003 0.000 0.263 1187 G C 0.043 174.929 174.900 -0.022 0.000 0.989 1187 G CA 0.542 45.551 45.100 -0.152 0.000 0.692 1187 G HN 0.475 nan 8.290 nan 0.000 0.526 1188 V N 0.586 120.643 119.914 0.238 0.000 2.432 1188 V HA 0.679 4.797 4.120 -0.003 0.000 0.275 1188 V C 0.967 177.085 176.094 0.041 0.000 1.043 1188 V CA 0.109 62.436 62.300 0.045 0.000 0.925 1188 V CB 1.542 33.197 31.823 -0.280 0.000 0.985 1188 V HN 0.672 nan 8.190 nan 0.000 0.466 1189 G N 4.580 113.351 108.800 -0.048 0.000 2.417 1189 G HA2 0.620 4.578 3.960 -0.003 0.000 0.320 1189 G HA3 0.620 4.578 3.960 -0.003 0.000 0.320 1189 G C -1.371 173.510 174.900 -0.031 0.000 1.204 1189 G CA -0.410 44.707 45.100 0.028 0.000 0.923 1189 G HN 0.599 nan 8.290 nan 0.000 0.466 1190 L N 2.792 124.038 121.223 0.039 0.000 2.404 1190 L HA 0.858 5.196 4.340 -0.003 0.000 0.272 1190 L C -0.191 176.766 176.870 0.146 0.000 0.980 1190 L CA -0.883 53.983 54.840 0.043 0.000 0.836 1190 L CB 1.473 43.567 42.059 0.058 0.000 1.238 1190 L HN 0.700 nan 8.230 nan 0.000 0.408 1191 A N 3.173 126.079 122.820 0.143 0.000 2.350 1191 A HA 0.879 5.197 4.320 -0.003 0.000 0.324 1191 A C -0.650 177.037 177.584 0.172 0.000 1.118 1191 A CA -0.532 51.655 52.037 0.250 0.000 0.783 1191 A CB 1.315 20.515 19.000 0.333 0.000 1.236 1191 A HN 0.671 nan 8.150 nan 0.000 0.457 1192 S N 0.563 116.373 115.700 0.183 0.000 2.437 1192 S HA 0.574 5.042 4.470 -0.003 0.000 0.305 1192 S C -0.190 174.494 174.600 0.139 0.000 1.109 1192 S CA -0.515 57.742 58.200 0.094 0.000 1.099 1192 S CB 1.167 64.388 63.200 0.035 0.000 1.004 1192 S HN 1.368 nan 8.310 nan 0.000 0.475 1193 V N 2.320 122.273 119.914 0.066 0.000 2.459 1193 V HA 0.715 4.833 4.120 -0.003 0.000 0.295 1193 V C -0.648 175.502 176.094 0.093 0.000 1.029 1193 V CA -1.053 61.329 62.300 0.136 0.000 0.874 1193 V CB 1.243 33.097 31.823 0.051 0.000 0.985 1193 V HN 0.796 nan 8.190 nan 0.000 0.438 1194 R N 3.431 124.030 120.500 0.165 0.000 2.494 1194 R HA 0.942 5.280 4.340 -0.003 0.000 0.305 1194 R C -0.438 176.009 176.300 0.246 0.000 0.959 1194 R CA -0.157 56.030 56.100 0.144 0.000 0.864 1194 R CB 2.121 32.472 30.300 0.084 0.000 1.159 1194 R HN 1.221 nan 8.270 nan 0.000 0.446 1195 A N 1.211 124.179 122.820 0.246 0.000 2.597 1195 A HA 0.834 5.152 4.320 -0.003 0.000 0.292 1195 A C -1.136 176.573 177.584 0.209 0.000 1.057 1195 A CA -0.318 51.874 52.037 0.259 0.000 0.674 1195 A CB 1.859 21.058 19.000 0.332 0.000 1.278 1195 A HN 0.794 nan 8.150 nan 0.000 0.416 1196 G N -0.690 108.219 108.800 0.182 0.000 2.706 1196 G HA2 0.507 4.465 3.960 -0.003 0.000 0.307 1196 G HA3 0.507 4.465 3.960 -0.003 0.000 0.307 1196 G C -0.400 174.578 174.900 0.131 0.000 1.307 1196 G CA 0.132 45.323 45.100 0.153 0.000 0.790 1196 G HN 1.263 nan 8.290 nan 0.000 0.503 1197 N N -1.220 117.538 118.700 0.097 0.000 2.701 1197 N HA -0.159 4.579 4.740 -0.003 0.000 0.250 1197 N C 0.176 175.871 175.510 0.310 0.000 1.046 1197 N CA 0.838 53.957 53.050 0.114 0.000 0.733 1197 N CB -0.759 37.581 38.487 -0.245 0.000 0.973 1197 N HN 0.352 nan 8.380 nan 0.000 0.541 1198 V N 1.907 121.963 119.914 0.238 0.000 2.470 1198 V HA 0.264 4.382 4.120 -0.003 0.000 0.276 1198 V C 0.950 177.167 176.094 0.206 0.000 1.040 1198 V CA -0.152 62.261 62.300 0.189 0.000 1.008 1198 V CB 0.722 32.621 31.823 0.127 0.000 0.990 1198 V HN 0.226 nan 8.190 nan 0.000 0.477 1199 I N 2.840 123.469 120.570 0.098 0.000 2.785 1199 I HA 1.096 5.264 4.170 -0.003 0.000 0.302 1199 I C 0.009 175.994 176.117 -0.221 0.000 1.069 1199 I CA -0.497 60.780 61.300 -0.039 0.000 1.045 1199 I CB 2.521 40.447 38.000 -0.124 0.000 1.236 1199 I HN 0.705 nan 8.210 nan 0.000 0.429 1200 G N 2.025 110.696 108.800 -0.215 0.000 2.316 1200 G HA2 0.455 4.413 3.960 -0.003 0.000 0.296 1200 G HA3 0.455 4.413 3.960 -0.003 0.000 0.296 1200 G C -0.878 173.849 174.900 -0.288 0.000 1.399 1200 G CA -0.354 44.552 45.100 -0.324 0.000 0.833 1200 G HN 1.026 nan 8.290 nan 0.000 0.565 1201 G N -1.540 107.015 108.800 -0.409 0.000 2.483 1201 G HA2 0.583 4.542 3.960 -0.003 0.000 0.248 1201 G HA3 0.583 4.542 3.960 -0.003 0.000 0.248 1201 G C 1.241 175.517 174.900 -1.039 0.000 1.248 1201 G CA 1.307 45.842 45.100 -0.942 0.000 0.838 1201 G HN 2.343 nan 8.290 nan 0.000 0.566 1202 G N 0.950 108.904 108.800 -1.409 0.000 2.179 1202 G HA2 -0.237 3.721 3.960 -0.003 0.000 0.220 1202 G HA3 -0.237 3.721 3.960 -0.003 0.000 0.220 1202 G C 0.194 174.400 174.900 -1.157 0.000 0.990 1202 G CA 0.307 44.738 45.100 -1.116 0.000 0.646 1202 G HN 0.911 nan 8.290 nan 0.000 0.517 1203 D N 0.324 119.856 120.400 -1.446 0.000 2.441 1203 D HA 0.360 4.999 4.640 -0.003 0.000 0.221 1203 D C 0.787 176.446 176.300 -1.069 0.000 1.156 1203 D CA -0.662 52.498 54.000 -1.401 0.000 0.896 1203 D CB -0.143 39.730 40.800 -1.545 0.000 1.028 1203 D HN 0.293 nan 8.370 nan 0.000 0.509 1204 W N 2.839 123.941 121.300 -0.330 0.000 3.325 1204 W HA 0.358 5.016 4.660 -0.004 0.000 0.370 1204 W C 0.426 176.844 176.519 -0.168 0.000 1.169 1204 W CA -0.809 56.409 57.345 -0.212 0.000 1.874 1204 W CB -0.450 28.921 29.460 -0.149 0.000 1.076 1204 W HN 0.393 nan 8.180 nan 0.000 0.684 1205 A N 1.738 124.496 122.820 -0.103 0.000 2.511 1205 A HA 0.152 4.470 4.320 -0.003 0.000 0.242 1205 A C 0.595 178.140 177.584 -0.066 0.000 1.069 1205 A CA 0.298 52.285 52.037 -0.083 0.000 0.763 1205 A CB 0.293 19.211 19.000 -0.137 0.000 1.001 1205 A HN 0.160 nan 8.150 nan 0.000 0.498 1206 K N 1.324 121.705 120.400 -0.032 0.000 2.185 1206 K HA 0.273 4.591 4.320 -0.003 0.000 0.271 1206 K C -0.575 175.997 176.600 -0.046 0.000 1.013 1206 K CA -0.138 56.133 56.287 -0.027 0.000 0.943 1206 K CB 0.465 32.961 32.500 -0.006 0.000 0.998 1206 K HN 0.750 nan 8.250 nan 0.000 0.468 1207 D N 1.072 121.443 120.400 -0.050 0.000 2.699 1207 D HA -0.180 4.458 4.640 -0.003 0.000 0.239 1207 D C -0.914 175.347 176.300 -0.064 0.000 1.136 1207 D CA 0.984 54.952 54.000 -0.052 0.000 0.668 1207 D CB -0.500 40.279 40.800 -0.034 0.000 1.060 1207 D HN 0.296 nan 8.370 nan 0.000 0.429 1208 R N 0.364 120.806 120.500 -0.096 0.000 2.480 1208 R HA 0.301 4.640 4.340 -0.003 0.000 0.306 1208 R C 0.922 177.124 176.300 -0.163 0.000 0.958 1208 R CA -1.002 55.031 56.100 -0.112 0.000 0.861 1208 R CB 1.259 31.475 30.300 -0.141 0.000 1.171 1208 R HN 0.051 nan 8.270 nan 0.000 0.445 1209 L N 4.709 125.845 121.223 -0.146 0.000 2.010 1209 L HA -0.290 4.048 4.340 -0.003 0.000 0.219 1209 L C 1.518 178.178 176.870 -0.351 0.000 1.077 1209 L CA 2.113 56.814 54.840 -0.231 0.000 0.773 1209 L CB -0.324 41.603 42.059 -0.220 0.000 0.892 1209 L HN 0.696 nan 8.230 nan 0.000 0.436 1210 I N -0.012 120.309 120.570 -0.415 0.000 2.113 1210 I HA -0.144 4.024 4.170 -0.003 0.000 0.238 1210 I C -0.012 175.849 176.117 -0.427 0.000 1.070 1210 I CA 1.477 62.505 61.300 -0.453 0.000 1.332 1210 I CB -2.997 34.723 38.000 -0.467 0.000 1.044 1210 I HN 0.216 nan 8.210 nan 0.000 0.402 1211 P HA -0.181 nan 4.420 nan 0.000 0.217 1211 P C 1.198 178.320 177.300 -0.296 0.000 1.162 1211 P CA 1.745 64.623 63.100 -0.371 0.000 0.901 1211 P CB -0.085 31.433 31.700 -0.303 0.000 0.793 1212 D N -0.496 119.749 120.400 -0.258 0.000 2.120 1212 D HA -0.168 4.470 4.640 -0.003 0.000 0.191 1212 D C 2.129 178.241 176.300 -0.313 0.000 0.994 1212 D CA 1.031 54.897 54.000 -0.224 0.000 0.838 1212 D CB -1.094 39.587 40.800 -0.197 0.000 0.976 1212 D HN 0.130 nan 8.370 nan 0.000 0.447 1213 I N 0.441 120.759 120.570 -0.420 0.000 2.113 1213 I HA -0.334 3.835 4.170 -0.003 0.000 0.242 1213 I C 2.462 178.095 176.117 -0.806 0.000 1.057 1213 I CA 1.062 61.973 61.300 -0.649 0.000 1.314 1213 I CB -0.281 37.304 38.000 -0.693 0.000 1.022 1213 I HN 0.052 nan 8.210 nan 0.000 0.408 1214 L N -0.234 120.615 121.223 -0.624 0.000 2.046 1214 L HA -0.225 4.113 4.340 -0.003 0.000 0.208 1214 L C 2.733 179.423 176.870 -0.300 0.000 1.077 1214 L CA 1.437 55.948 54.840 -0.548 0.000 0.747 1214 L CB -0.587 41.062 42.059 -0.683 0.000 0.896 1214 L HN 0.162 nan 8.230 nan 0.000 0.432 1215 R N -0.614 119.781 120.500 -0.177 0.000 2.070 1215 R HA -0.139 4.199 4.340 -0.003 0.000 0.233 1215 R C 2.591 178.861 176.300 -0.051 0.000 1.137 1215 R CA 1.573 57.675 56.100 0.003 0.000 0.945 1215 R CB -0.565 29.742 30.300 0.011 0.000 0.845 1215 R HN 0.177 nan 8.270 nan 0.000 0.430 1216 S N 0.178 115.791 115.700 -0.145 0.000 2.404 1216 S HA -0.196 4.272 4.470 -0.003 0.000 0.230 1216 S C 1.657 176.237 174.600 -0.034 0.000 1.046 1216 S CA 1.562 59.702 58.200 -0.100 0.000 1.135 1216 S CB -0.356 62.748 63.200 -0.160 0.000 1.056 1216 S HN 0.174 nan 8.310 nan 0.000 0.426 1217 F N 1.963 121.677 119.950 -0.393 0.000 2.087 1217 F HA -0.187 4.339 4.527 -0.003 0.000 0.299 1217 F C 2.578 178.075 175.800 -0.506 0.000 1.100 1217 F CA 1.514 59.103 58.000 -0.684 0.000 1.226 1217 F CB -1.597 36.469 39.000 -1.557 0.000 0.983 1217 F HN 0.530 nan 8.300 nan 0.000 0.479 1218 E N -0.099 119.999 120.200 -0.170 0.000 2.130 1218 E HA -0.240 4.108 4.350 -0.003 0.000 0.196 1218 E C 1.069 177.752 176.600 0.140 0.000 0.998 1218 E CA 1.749 58.225 56.400 0.127 0.000 0.806 1218 E CB -0.557 29.321 29.700 0.296 0.000 0.738 1218 E HN 0.376 nan 8.360 nan 0.000 0.459 1219 N N 0.864 119.613 118.700 0.082 0.000 2.276 1219 N HA 0.017 4.755 4.740 -0.003 0.000 0.212 1219 N C -0.070 175.476 175.510 0.061 0.000 1.127 1219 N CA 0.177 53.271 53.050 0.073 0.000 0.834 1219 N CB 0.295 38.820 38.487 0.063 0.000 1.014 1219 N HN 0.266 nan 8.380 nan 0.000 0.491 1220 N N 1.002 119.741 118.700 0.065 0.000 2.765 1220 N HA -0.199 4.539 4.740 -0.003 0.000 0.248 1220 N C -0.640 174.899 175.510 0.048 0.000 1.063 1220 N CA 0.939 54.024 53.050 0.058 0.000 0.862 1220 N CB -0.544 37.980 38.487 0.063 0.000 1.145 1220 N HN 0.545 nan 8.380 nan 0.000 0.581 1221 Q N 0.620 120.450 119.800 0.050 0.000 2.306 1221 Q HA 0.221 4.559 4.340 -0.003 0.000 0.241 1221 Q C 0.535 176.579 176.000 0.073 0.000 0.948 1221 Q CA -0.128 55.703 55.803 0.046 0.000 0.886 1221 Q CB 1.036 29.794 28.738 0.032 0.000 1.227 1221 Q HN 0.219 nan 8.270 nan 0.000 0.457 1222 Q N 1.239 121.079 119.800 0.068 0.000 2.259 1222 Q HA 0.299 4.637 4.340 -0.003 0.000 0.246 1222 Q C -1.120 174.943 176.000 0.105 0.000 0.920 1222 Q CA -0.489 55.376 55.803 0.104 0.000 0.895 1222 Q CB 1.092 29.874 28.738 0.073 0.000 1.220 1222 Q HN 0.485 nan 8.270 nan 0.000 0.439 1223 V N 4.741 124.754 119.914 0.165 0.000 2.465 1223 V HA 0.265 4.383 4.120 -0.003 0.000 0.279 1223 V C 0.048 176.249 176.094 0.178 0.000 1.045 1223 V CA -0.569 61.800 62.300 0.115 0.000 0.938 1223 V CB 0.874 32.703 31.823 0.010 0.000 0.986 1223 V HN 0.636 nan 8.190 nan 0.000 0.467 1224 I N 5.352 125.977 120.570 0.092 0.000 2.297 1224 I HA 0.359 4.527 4.170 -0.003 0.000 0.291 1224 I C -0.330 175.827 176.117 0.067 0.000 1.033 1224 I CA -0.187 61.173 61.300 0.101 0.000 1.253 1224 I CB 0.661 38.693 38.000 0.053 0.000 1.396 1224 I HN 0.272 nan 8.210 nan 0.000 0.476 1225 I N 7.091 127.739 120.570 0.131 0.000 2.301 1225 I HA 0.277 4.445 4.170 -0.003 0.000 0.292 1225 I C 1.387 177.458 176.117 -0.077 0.000 1.046 1225 I CA -0.008 61.283 61.300 -0.014 0.000 1.282 1225 I CB 0.966 38.920 38.000 -0.078 0.000 1.409 1225 I HN 0.689 nan 8.210 nan 0.000 0.484 1226 R N 4.240 124.697 120.500 -0.072 0.000 2.119 1226 R HA 0.022 4.360 4.340 -0.003 0.000 0.222 1226 R C 0.465 176.754 176.300 -0.018 0.000 1.088 1226 R CA 0.673 56.771 56.100 -0.002 0.000 0.984 1226 R CB 0.093 30.408 30.300 0.026 0.000 0.884 1226 R HN 0.702 nan 8.270 nan 0.000 0.447 1227 N N -0.022 118.592 118.700 -0.143 0.000 2.969 1227 N HA 0.051 4.789 4.740 -0.003 0.000 0.230 1227 N C -2.558 172.782 175.510 -0.283 0.000 1.397 1227 N CA -1.079 51.866 53.050 -0.175 0.000 0.762 1227 N CB 1.648 40.136 38.487 0.002 0.000 1.495 1227 N HN -0.245 nan 8.380 nan 0.000 0.583 1228 P HA -0.161 nan 4.420 nan 0.000 0.216 1228 P C 0.778 177.877 177.300 -0.336 0.000 1.150 1228 P CA 1.394 64.177 63.100 -0.528 0.000 0.843 1228 P CB -0.111 31.137 31.700 -0.753 0.000 0.787 1229 Y N -0.707 119.611 120.300 0.030 0.000 2.546 1229 Y HA 0.151 4.698 4.550 -0.004 0.000 0.287 1229 Y C 1.689 177.606 175.900 0.028 0.000 1.158 1229 Y CA -0.467 57.665 58.100 0.053 0.000 1.307 1229 Y CB -0.399 38.114 38.460 0.089 0.000 1.036 1229 Y HN -0.101 nan 8.280 nan 0.000 0.532 1230 S N 1.294 117.033 115.700 0.065 0.000 2.549 1230 S HA 0.250 4.718 4.470 -0.003 0.000 0.286 1230 S C -0.470 174.123 174.600 -0.012 0.000 1.314 1230 S CA -0.396 57.820 58.200 0.025 0.000 1.062 1230 S CB -0.169 63.034 63.200 0.005 0.000 0.865 1230 S HN 0.229 nan 8.310 nan 0.000 0.498 1231 I N 5.488 125.977 120.570 -0.135 0.000 2.465 1231 I HA 0.610 4.778 4.170 -0.003 0.000 0.291 1231 I C 0.152 175.893 176.117 -0.627 0.000 1.014 1231 I CA -0.658 60.419 61.300 -0.372 0.000 1.093 1231 I CB 1.721 39.384 38.000 -0.562 0.000 1.267 1231 I HN 0.466 nan 8.210 nan 0.000 0.431 1232 R N 5.162 125.243 120.500 -0.699 0.000 2.795 1232 R HA 0.465 4.803 4.340 -0.003 0.000 0.275 1232 R C -2.714 173.079 176.300 -0.845 0.000 0.981 1232 R CA -1.992 53.547 56.100 -0.935 0.000 0.917 1232 R CB 1.741 31.098 30.300 -1.571 0.000 1.202 1232 R HN 0.200 nan 8.270 nan 0.000 0.469 1233 P HA 0.115 nan 4.420 nan 0.000 0.225 1233 P C -0.598 176.644 177.300 -0.096 0.000 1.813 1233 P CA -0.337 62.681 63.100 -0.137 0.000 1.013 1233 P CB -0.453 31.289 31.700 0.070 0.000 1.961 1234 W N 2.554 123.890 121.300 0.060 0.000 2.264 1234 W HA 0.145 4.803 4.660 -0.003 0.000 0.331 1234 W C 1.028 177.605 176.519 0.096 0.000 1.364 1234 W CA -0.210 57.169 57.345 0.058 0.000 1.253 1234 W CB 0.553 30.034 29.460 0.034 0.000 1.215 1234 W HN 0.282 nan 8.180 nan 0.000 0.561 1235 Q N 1.858 121.884 119.800 0.376 0.000 2.320 1235 Q HA 0.251 4.589 4.340 -0.003 0.000 0.272 1235 Q C -1.200 174.915 176.000 0.191 0.000 1.023 1235 Q CA -1.207 54.762 55.803 0.276 0.000 0.855 1235 Q CB 1.342 30.232 28.738 0.253 0.000 1.367 1235 Q HN 0.587 nan 8.270 nan 0.000 0.406 1236 H N 1.637 120.776 119.070 0.116 0.000 3.064 1236 H HA 0.013 4.567 4.556 -0.003 0.000 0.329 1236 H C 1.477 176.707 175.328 -0.163 0.000 1.020 1236 H CA 1.089 57.141 56.048 0.006 0.000 1.402 1236 H CB 1.235 31.041 29.762 0.073 0.000 1.379 1236 H HN 0.654 nan 8.280 nan 0.000 0.594 1237 V N 3.449 122.959 119.914 -0.672 0.000 2.317 1237 V HA -0.319 3.799 4.120 -0.003 0.000 0.251 1237 V C 2.072 177.916 176.094 -0.417 0.000 1.065 1237 V CA 2.162 64.132 62.300 -0.551 0.000 1.049 1237 V CB -0.999 30.252 31.823 -0.954 0.000 0.651 1237 V HN 0.771 nan 8.190 nan 0.000 0.450 1238 L N -0.107 120.958 121.223 -0.264 0.000 2.201 1238 L HA -0.080 4.258 4.340 -0.003 0.000 0.212 1238 L C 2.983 179.482 176.870 -0.620 0.000 1.105 1238 L CA 1.536 56.030 54.840 -0.577 0.000 0.775 1238 L CB -0.840 40.533 42.059 -1.143 0.000 0.913 1238 L HN 0.407 nan 8.230 nan 0.000 0.440 1239 E N 0.638 120.603 120.200 -0.392 0.000 2.021 1239 E HA -0.206 4.142 4.350 -0.003 0.000 0.200 1239 E C -0.330 176.263 176.600 -0.012 0.000 1.015 1239 E CA 1.540 57.917 56.400 -0.038 0.000 0.824 1239 E CB -1.586 28.245 29.700 0.218 0.000 0.762 1239 E HN 0.448 nan 8.360 nan 0.000 0.454 1240 P HA -0.086 nan 4.420 nan 0.000 0.217 1240 P C 1.889 178.462 177.300 -1.211 0.000 1.151 1240 P CA 0.973 63.721 63.100 -0.586 0.000 0.828 1240 P CB -0.208 31.237 31.700 -0.425 0.000 0.788 1241 L N 0.129 120.778 121.223 -0.956 0.000 2.043 1241 L HA -0.196 4.142 4.340 -0.003 0.000 0.212 1241 L C 2.642 179.095 176.870 -0.696 0.000 1.075 1241 L CA 2.434 56.738 54.840 -0.892 0.000 0.752 1241 L CB -1.543 40.276 42.059 -0.400 0.000 0.891 1241 L HN 0.149 nan 8.230 nan 0.000 0.432 1242 S N -0.056 115.377 115.700 -0.445 0.000 2.382 1242 S HA -0.129 4.339 4.470 -0.003 0.000 0.228 1242 S C 2.080 176.513 174.600 -0.279 0.000 1.027 1242 S CA 1.013 59.048 58.200 -0.274 0.000 0.991 1242 S CB -1.088 62.235 63.200 0.206 0.000 0.823 1242 S HN 0.459 nan 8.310 nan 0.000 0.469 1243 G N 0.704 109.133 108.800 -0.618 0.000 2.418 1243 G HA2 -0.142 3.816 3.960 -0.003 0.000 0.217 1243 G HA3 -0.142 3.816 3.960 -0.003 0.000 0.217 1243 G C 1.263 175.715 174.900 -0.746 0.000 1.158 1243 G CA 0.915 45.206 45.100 -1.348 0.000 0.771 1243 G HN 0.519 nan 8.290 nan 0.000 0.545 1244 Y N 0.903 120.774 120.300 -0.715 0.000 2.165 1244 Y HA -0.035 4.513 4.550 -0.003 0.000 0.286 1244 Y C 2.778 178.666 175.900 -0.019 0.000 1.155 1244 Y CA 0.020 57.977 58.100 -0.239 0.000 1.164 1244 Y CB -0.977 37.433 38.460 -0.084 0.000 0.978 1244 Y HN 0.171 nan 8.280 nan 0.000 0.513 1245 I N -0.984 119.592 120.570 0.010 0.000 2.113 1245 I HA -0.266 3.902 4.170 -0.003 0.000 0.238 1245 I C 2.302 178.509 176.117 0.149 0.000 1.070 1245 I CA 1.232 62.549 61.300 0.029 0.000 1.332 1245 I CB -0.831 36.895 38.000 -0.456 0.000 1.044 1245 I HN -0.043 nan 8.210 nan 0.000 0.402 1246 V N 0.605 120.507 119.914 -0.020 0.000 2.324 1246 V HA -0.269 3.849 4.120 -0.003 0.000 0.250 1246 V C 2.492 178.491 176.094 -0.158 0.000 1.060 1246 V CA 1.698 63.962 62.300 -0.060 0.000 1.042 1246 V CB -0.614 31.185 31.823 -0.040 0.000 0.650 1246 V HN 0.262 nan 8.190 nan 0.000 0.450 1247 V N 0.165 119.979 119.914 -0.166 0.000 2.332 1247 V HA -0.302 3.816 4.120 -0.003 0.000 0.248 1247 V C 2.706 178.692 176.094 -0.180 0.000 1.055 1247 V CA 2.150 64.292 62.300 -0.262 0.000 1.038 1247 V CB -1.075 30.625 31.823 -0.206 0.000 0.651 1247 V HN 0.587 nan 8.190 nan 0.000 0.450 1248 A N -1.185 121.624 122.820 -0.019 0.000 1.902 1248 A HA -0.312 4.006 4.320 -0.003 0.000 0.217 1248 A C 2.153 179.715 177.584 -0.037 0.000 1.181 1248 A CA 2.107 54.180 52.037 0.060 0.000 0.623 1248 A CB -0.492 18.749 19.000 0.401 0.000 0.818 1248 A HN 0.619 nan 8.150 nan 0.000 0.443 1249 Q N -1.153 118.537 119.800 -0.184 0.000 2.050 1249 Q HA -0.167 4.171 4.340 -0.003 0.000 0.202 1249 Q C 2.431 178.137 176.000 -0.490 0.000 0.980 1249 Q CA 1.376 56.774 55.803 -0.676 0.000 0.840 1249 Q CB -0.135 28.180 28.738 -0.704 0.000 0.898 1249 Q HN 0.366 nan 8.270 nan 0.000 0.424 1250 R N 0.492 120.705 120.500 -0.478 0.000 2.091 1250 R HA -0.089 4.249 4.340 -0.003 0.000 0.238 1250 R C 2.199 178.243 176.300 -0.427 0.000 1.136 1250 R CA 1.113 56.801 56.100 -0.686 0.000 0.959 1250 R CB -0.980 28.545 30.300 -1.293 0.000 0.856 1250 R HN 0.332 nan 8.270 nan 0.000 0.437 1251 L N -0.770 120.319 121.223 -0.223 0.000 2.042 1251 L HA -0.240 4.098 4.340 -0.003 0.000 0.210 1251 L C 2.291 179.163 176.870 0.005 0.000 1.076 1251 L CA 1.466 56.299 54.840 -0.012 0.000 0.749 1251 L CB -0.544 41.524 42.059 0.016 0.000 0.893 1251 L HN 0.146 nan 8.230 nan 0.000 0.432 1252 Y N 1.057 121.293 120.300 -0.107 0.000 2.049 1252 Y HA -0.353 4.195 4.550 -0.003 0.000 0.277 1252 Y C 3.076 178.958 175.900 -0.031 0.000 1.143 1252 Y CA 2.633 60.711 58.100 -0.037 0.000 1.115 1252 Y CB -0.460 38.021 38.460 0.035 0.000 0.975 1252 Y HN 0.312 nan 8.280 nan 0.000 0.487 1253 T N -2.451 112.150 114.554 0.078 0.000 2.809 1253 T HA -0.100 4.248 4.350 -0.003 0.000 0.260 1253 T C 1.449 176.144 174.700 -0.008 0.000 1.039 1253 T CA 1.656 63.773 62.100 0.029 0.000 1.141 1253 T CB -0.368 68.507 68.868 0.012 0.000 0.869 1253 T HN 0.454 nan 8.240 nan 0.000 0.437 1254 E N 0.784 120.988 120.200 0.007 0.000 2.400 1254 E HA 0.416 4.764 4.350 -0.003 0.000 0.195 1254 E C 1.573 178.276 176.600 0.172 0.000 1.012 1254 E CA 0.149 56.627 56.400 0.131 0.000 0.875 1254 E CB -0.062 29.816 29.700 0.296 0.000 0.859 1254 E HN 0.688 nan 8.360 nan 0.000 0.498 1255 G N 1.605 110.478 108.800 0.121 0.000 2.583 1255 G HA2 -0.475 3.483 3.960 -0.003 0.000 0.292 1255 G HA3 -0.475 3.483 3.960 -0.003 0.000 0.292 1255 G C 1.277 176.311 174.900 0.222 0.000 1.203 1255 G CA 0.727 45.894 45.100 0.113 0.000 0.987 1255 G HN 0.468 nan 8.290 nan 0.000 0.554 1256 A N -0.068 122.839 122.820 0.145 0.000 1.944 1256 A HA -0.282 4.036 4.320 -0.003 0.000 0.222 1256 A C 2.337 179.996 177.584 0.124 0.000 1.237 1256 A CA 3.613 55.733 52.037 0.139 0.000 0.668 1256 A CB -0.764 18.288 19.000 0.088 0.000 0.830 1256 A HN 1.071 nan 8.150 nan 0.000 0.471 1257 K N -1.312 119.138 120.400 0.083 0.000 2.228 1257 K HA -0.176 4.142 4.320 -0.003 0.000 0.205 1257 K C 0.852 177.296 176.600 -0.259 0.000 1.045 1257 K CA 1.516 57.725 56.287 -0.130 0.000 0.931 1257 K CB -0.504 31.854 32.500 -0.236 0.000 0.727 1257 K HN 0.626 nan 8.250 nan 0.000 0.458 1258 F N 0.645 120.711 119.950 0.193 0.000 2.654 1258 F HA 0.197 4.722 4.527 -0.003 0.000 0.303 1258 F C 0.860 176.896 175.800 0.394 0.000 1.099 1258 F CA -0.523 57.689 58.000 0.354 0.000 1.270 1258 F CB 0.420 39.566 39.000 0.243 0.000 1.024 1258 F HN -0.267 nan 8.300 nan 0.000 0.548 1259 S N 2.508 118.430 115.700 0.370 0.000 3.517 1259 S HA 0.202 4.670 4.470 -0.003 0.000 0.284 1259 S C 0.083 174.813 174.600 0.217 0.000 1.260 1259 S CA -0.074 58.296 58.200 0.283 0.000 0.975 1259 S CB -0.968 62.360 63.200 0.213 0.000 1.540 1259 S HN 0.610 nan 8.310 nan 0.000 0.506 1260 E N 1.497 121.854 120.200 0.262 0.000 2.315 1260 E HA 0.485 4.833 4.350 -0.003 0.000 0.256 1260 E C -0.199 176.352 176.600 -0.083 0.000 1.148 1260 E CA -1.326 55.079 56.400 0.009 0.000 0.898 1260 E CB 0.243 29.828 29.700 -0.191 0.000 1.708 1260 E HN 0.350 nan 8.360 nan 0.000 0.473 1261 G N -0.231 108.389 108.800 -0.301 0.000 2.448 1261 G HA2 0.507 4.465 3.960 -0.003 0.000 0.285 1261 G HA3 0.507 4.465 3.960 -0.003 0.000 0.285 1261 G C -1.647 172.899 174.900 -0.591 0.000 1.176 1261 G CA -0.536 44.416 45.100 -0.246 0.000 0.852 1261 G HN 0.348 nan 8.290 nan 0.000 0.530 1262 W N 0.417 121.678 121.300 -0.065 0.000 3.211 1262 W HA 0.336 4.994 4.660 -0.003 0.000 0.335 1262 W C -0.613 175.662 176.519 -0.407 0.000 1.113 1262 W CA -0.914 56.290 57.345 -0.234 0.000 1.235 1262 W CB 1.758 31.073 29.460 -0.243 0.000 1.365 1262 W HN 0.296 nan 8.180 nan 0.000 0.476 1263 N N 2.508 121.057 118.700 -0.252 0.000 2.456 1263 N HA 0.548 5.286 4.740 -0.003 0.000 0.288 1263 N C -1.361 173.722 175.510 -0.711 0.000 1.059 1263 N CA -0.340 52.555 53.050 -0.257 0.000 0.946 1263 N CB 1.058 39.529 38.487 -0.026 0.000 1.150 1263 N HN 0.206 nan 8.380 nan 0.000 0.479 1264 F N 0.066 119.992 119.950 -0.040 0.000 2.518 1264 F HA 0.689 5.214 4.527 -0.003 0.000 0.323 1264 F C 0.869 176.651 175.800 -0.030 0.000 1.129 1264 F CA -0.602 57.204 58.000 -0.323 0.000 0.920 1264 F CB 2.325 41.053 39.000 -0.455 0.000 1.160 1264 F HN 0.471 nan 8.300 nan 0.000 0.440 1265 G N 2.665 111.646 108.800 0.302 0.000 2.506 1265 G HA2 0.599 4.557 3.960 -0.003 0.000 0.292 1265 G HA3 0.599 4.557 3.960 -0.003 0.000 0.292 1265 G C -3.391 171.804 174.900 0.493 0.000 1.425 1265 G CA -1.184 44.134 45.100 0.363 0.000 0.788 1265 G HN 0.233 nan 8.290 nan 0.000 0.490 1266 P HA 0.449 nan 4.420 nan 0.000 0.277 1266 P C -0.447 177.004 177.300 0.251 0.000 1.271 1266 P CA -0.529 62.751 63.100 0.301 0.000 0.795 1266 P CB 0.950 32.796 31.700 0.243 0.000 1.101 1267 R N 0.191 120.811 120.500 0.200 0.000 2.438 1267 R HA 0.092 4.430 4.340 -0.003 0.000 0.287 1267 R C 1.109 177.496 176.300 0.146 0.000 1.077 1267 R CA 0.226 56.421 56.100 0.160 0.000 1.034 1267 R CB -0.304 30.069 30.300 0.121 0.000 0.993 1267 R HN 0.436 nan 8.270 nan 0.000 0.459 1268 D N 1.739 122.220 120.400 0.136 0.000 2.123 1268 D HA -0.244 4.394 4.640 -0.003 0.000 0.196 1268 D C 1.459 177.826 176.300 0.112 0.000 0.992 1268 D CA 1.873 55.956 54.000 0.139 0.000 0.833 1268 D CB 0.250 41.115 40.800 0.108 0.000 0.954 1268 D HN 0.743 nan 8.370 nan 0.000 0.455 1269 E N 0.180 120.430 120.200 0.084 0.000 2.187 1269 E HA -0.275 4.073 4.350 -0.003 0.000 0.199 1269 E C 1.030 177.655 176.600 0.041 0.000 1.004 1269 E CA 1.533 57.966 56.400 0.056 0.000 0.813 1269 E CB -0.215 29.514 29.700 0.048 0.000 0.736 1269 E HN 0.190 nan 8.360 nan 0.000 0.468 1270 D N 0.527 120.967 120.400 0.067 0.000 2.325 1270 D HA 0.175 4.813 4.640 -0.003 0.000 0.234 1270 D C -0.720 175.612 176.300 0.054 0.000 1.122 1270 D CA 0.278 54.317 54.000 0.065 0.000 0.850 1270 D CB 0.224 41.093 40.800 0.115 0.000 0.921 1270 D HN 0.377 nan 8.370 nan 0.000 0.513 1271 A N 0.825 123.662 122.820 0.030 0.000 2.276 1271 A HA 0.482 4.800 4.320 -0.003 0.000 0.300 1271 A C 0.173 177.702 177.584 -0.091 0.000 1.235 1271 A CA -0.373 51.653 52.037 -0.019 0.000 0.867 1271 A CB 0.538 19.527 19.000 -0.018 0.000 1.137 1271 A HN -0.044 nan 8.150 nan 0.000 0.527 1272 K N 1.096 121.459 120.400 -0.062 0.000 2.350 1272 K HA 0.581 4.899 4.320 -0.003 0.000 0.241 1272 K C 0.317 176.953 176.600 0.061 0.000 0.994 1272 K CA -0.382 55.832 56.287 -0.122 0.000 0.839 1272 K CB 1.847 34.192 32.500 -0.257 0.000 1.244 1272 K HN 0.810 nan 8.250 nan 0.000 0.443 1273 T N -2.779 111.846 114.554 0.117 0.000 2.847 1273 T HA 0.189 4.537 4.350 -0.003 0.000 0.279 1273 T C 1.520 176.335 174.700 0.193 0.000 0.984 1273 T CA -0.757 61.438 62.100 0.159 0.000 0.988 1273 T CB 0.799 69.779 68.868 0.186 0.000 1.040 1273 T HN 0.100 nan 8.240 nan 0.000 0.528 1274 V N 0.919 120.894 119.914 0.102 0.000 2.343 1274 V HA -0.129 3.989 4.120 -0.003 0.000 0.247 1274 V C 2.850 178.848 176.094 -0.161 0.000 1.051 1274 V CA 2.379 64.670 62.300 -0.015 0.000 1.036 1274 V CB -0.964 30.812 31.823 -0.078 0.000 0.654 1274 V HN 1.094 nan 8.190 nan 0.000 0.451 1275 E N -0.140 119.977 120.200 -0.139 0.000 2.058 1275 E HA -0.314 4.034 4.350 -0.003 0.000 0.194 1275 E C 2.151 178.682 176.600 -0.114 0.000 0.997 1275 E CA 2.043 58.309 56.400 -0.222 0.000 0.801 1275 E CB -0.363 29.349 29.700 0.021 0.000 0.746 1275 E HN 0.565 nan 8.360 nan 0.000 0.450 1276 F N 1.155 121.074 119.950 -0.051 0.000 2.095 1276 F HA -0.198 4.328 4.527 -0.003 0.000 0.298 1276 F C 2.007 177.772 175.800 -0.059 0.000 1.104 1276 F CA 1.758 59.753 58.000 -0.010 0.000 1.232 1276 F CB -0.221 38.797 39.000 0.031 0.000 0.987 1276 F HN 0.033 nan 8.300 nan 0.000 0.475 1277 I N -0.440 120.153 120.570 0.039 0.000 2.163 1277 I HA -0.286 3.882 4.170 -0.003 0.000 0.243 1277 I C 2.558 178.495 176.117 -0.301 0.000 1.085 1277 I CA 1.498 62.732 61.300 -0.111 0.000 1.347 1277 I CB -0.612 37.340 38.000 -0.080 0.000 1.044 1277 I HN 0.176 nan 8.210 nan 0.000 0.408 1278 V N 0.873 120.555 119.914 -0.387 0.000 2.490 1278 V HA -0.280 3.838 4.120 -0.003 0.000 0.250 1278 V C 1.970 177.884 176.094 -0.300 0.000 1.061 1278 V CA 2.200 64.220 62.300 -0.466 0.000 1.064 1278 V CB -0.533 30.770 31.823 -0.868 0.000 0.670 1278 V HN 0.416 nan 8.190 nan 0.000 0.461 1279 D N -0.238 119.985 120.400 -0.295 0.000 2.078 1279 D HA -0.173 4.465 4.640 -0.003 0.000 0.193 1279 D C 2.179 178.392 176.300 -0.144 0.000 0.990 1279 D CA 1.279 55.208 54.000 -0.117 0.000 0.827 1279 D CB -0.306 40.413 40.800 -0.135 0.000 0.975 1279 D HN 0.257 nan 8.370 nan 0.000 0.451 1280 K N 0.604 120.795 120.400 -0.349 0.000 2.044 1280 K HA -0.120 4.199 4.320 -0.003 0.000 0.210 1280 K C 2.077 178.642 176.600 -0.059 0.000 1.049 1280 K CA 0.749 56.878 56.287 -0.264 0.000 0.927 1280 K CB -0.544 31.722 32.500 -0.390 0.000 0.713 1280 K HN 0.098 nan 8.250 nan 0.000 0.443 1281 M N 0.286 119.864 119.600 -0.036 0.000 2.089 1281 M HA -0.177 4.301 4.480 -0.003 0.000 0.257 1281 M C 2.307 178.847 176.300 0.401 0.000 1.071 1281 M CA 1.263 56.649 55.300 0.144 0.000 1.096 1281 M CB -1.136 31.471 32.600 0.011 0.000 1.330 1281 M HN -0.096 nan 8.290 nan 0.000 0.403 1282 V N -0.197 119.915 119.914 0.330 0.000 2.255 1282 V HA -0.305 3.813 4.120 -0.003 0.000 0.247 1282 V C 2.395 178.554 176.094 0.109 0.000 1.051 1282 V CA 2.349 64.784 62.300 0.225 0.000 1.018 1282 V CB -1.103 30.847 31.823 0.211 0.000 0.641 1282 V HN 0.481 nan 8.190 nan 0.000 0.445 1283 T N 0.078 114.682 114.554 0.084 0.000 2.720 1283 T HA -0.199 4.149 4.350 -0.003 0.000 0.268 1283 T C 1.831 176.564 174.700 0.054 0.000 1.037 1283 T CA 1.667 63.793 62.100 0.043 0.000 1.144 1283 T CB -0.329 68.547 68.868 0.013 0.000 0.864 1283 T HN 0.176 nan 8.240 nan 0.000 0.444 1284 L N -0.050 121.232 121.223 0.099 0.000 2.093 1284 L HA 0.016 4.354 4.340 -0.003 0.000 0.208 1284 L C 2.161 179.116 176.870 0.142 0.000 1.085 1284 L CA 1.418 56.324 54.840 0.111 0.000 0.755 1284 L CB -0.619 41.523 42.059 0.138 0.000 0.904 1284 L HN 0.480 nan 8.230 nan 0.000 0.435 1285 W N 0.120 121.440 121.300 0.034 0.000 2.378 1285 W HA 0.032 4.690 4.660 -0.004 0.000 0.313 1285 W C 1.427 177.898 176.519 -0.080 0.000 1.197 1285 W CA 2.037 59.375 57.345 -0.010 0.000 1.304 1285 W CB -0.204 29.123 29.460 -0.222 0.000 1.148 1285 W HN 0.287 nan 8.180 nan 0.000 0.494 1286 G N 1.342 110.134 108.800 -0.013 0.000 2.496 1286 G HA2 -0.274 3.684 3.960 -0.003 0.000 0.243 1286 G HA3 -0.274 3.684 3.960 -0.003 0.000 0.243 1286 G C -0.290 174.623 174.900 0.022 0.000 1.176 1286 G CA 0.082 45.139 45.100 -0.071 0.000 0.940 1286 G HN 0.376 nan 8.290 nan 0.000 0.573 1290 S N 1.853 117.565 115.700 0.020 0.000 2.627 1290 S HA 0.865 5.333 4.470 -0.003 0.000 0.268 1290 S C -1.234 173.595 174.600 0.381 0.000 1.130 1290 S CA -0.120 58.199 58.200 0.198 0.000 0.819 1290 S CB 1.126 64.352 63.200 0.045 0.000 1.100 1290 S HN 2.387 nan 8.310 nan 0.000 0.465 1291 W N 0.998 122.332 121.300 0.057 0.000 3.025 1291 W HA 0.750 5.410 4.660 0.001 0.000 0.343 1291 W C -2.506 174.011 176.519 -0.003 0.000 1.246 1291 W CA -1.145 56.218 57.345 0.031 0.000 1.178 1291 W CB 0.487 29.959 29.460 0.019 0.000 1.463 1291 W HN 0.996 nan 8.180 nan 0.000 0.578 1292 L N 0.901 122.184 121.223 0.100 0.000 2.393 1292 L HA 0.743 5.081 4.340 -0.003 0.000 0.260 1292 L C -1.414 175.506 176.870 0.083 0.000 1.002 1292 L CA -1.686 53.057 54.840 -0.162 0.000 0.818 1292 L CB 0.383 42.366 42.059 -0.127 0.000 1.369 1292 L HN 0.355 nan 8.230 nan 0.000 0.412 1293 L N 3.154 124.324 121.223 -0.089 0.000 2.281 1293 L HA 0.446 4.784 4.340 -0.003 0.000 0.285 1293 L C 0.209 177.103 176.870 0.041 0.000 1.074 1293 L CA 0.410 55.260 54.840 0.016 0.000 0.817 1293 L CB 0.291 42.315 42.059 -0.058 0.000 1.168 1293 L HN 0.956 nan 8.230 nan 0.000 0.434 1294 D N 2.746 123.195 120.400 0.082 0.000 2.325 1294 D HA 0.118 4.756 4.640 -0.003 0.000 0.262 1294 D C 0.979 177.418 176.300 0.231 0.000 1.263 1294 D CA 0.178 54.258 54.000 0.135 0.000 1.020 1294 D CB 0.317 41.183 40.800 0.110 0.000 1.117 1294 D HN 0.512 nan 8.370 nan 0.000 0.545 1295 G N -1.723 107.159 108.800 0.136 0.000 3.189 1295 G HA2 0.091 4.049 3.960 -0.003 0.000 0.225 1295 G HA3 0.091 4.049 3.960 -0.003 0.000 0.225 1295 G C 0.337 175.218 174.900 -0.031 0.000 1.159 1295 G CA -0.287 44.853 45.100 0.067 0.000 0.763 1295 G HN 0.565 nan 8.290 nan 0.000 0.549 1296 E N 0.211 120.392 120.200 -0.031 0.000 3.218 1296 E HA 0.174 4.522 4.350 -0.003 0.000 0.265 1296 E C -0.625 175.635 176.600 -0.566 0.000 1.393 1296 E CA -0.897 55.399 56.400 -0.173 0.000 1.160 1296 E CB 0.487 30.162 29.700 -0.041 0.000 1.272 1296 E HN 0.028 nan 8.360 nan 0.000 0.720 1297 N N 0.582 119.066 118.700 -0.361 0.000 2.458 1297 N HA 0.028 4.766 4.740 -0.003 0.000 0.270 1297 N C -1.300 173.999 175.510 -0.353 0.000 1.102 1297 N CA -0.126 52.698 53.050 -0.377 0.000 0.967 1297 N CB 0.414 38.805 38.487 -0.161 0.000 1.078 1297 N HN 0.360 nan 8.380 nan 0.000 0.471 1298 H N 3.631 122.686 119.070 -0.025 0.000 2.539 1298 H HA 0.327 4.880 4.556 -0.004 0.000 0.247 1298 H C -2.233 173.109 175.328 0.024 0.000 1.363 1298 H CA -2.024 53.997 56.048 -0.046 0.000 1.371 1298 H CB -0.232 29.451 29.762 -0.132 0.000 1.438 1298 H HN 0.528 nan 8.280 nan 0.000 0.523 1299 P HA 0.074 nan 4.420 nan 0.000 0.277 1299 P C 0.649 178.012 177.300 0.106 0.000 1.240 1299 P CA -0.266 62.836 63.100 0.003 0.000 0.798 1299 P CB 1.314 33.025 31.700 0.019 0.000 0.979 1304 Y N 0.530 120.917 120.300 0.146 0.000 2.592 1304 Y HA 0.494 5.042 4.550 -0.003 0.000 0.334 1304 Y C -1.570 174.418 175.900 0.145 0.000 1.136 1304 Y CA -1.461 56.698 58.100 0.099 0.000 1.042 1304 Y CB 1.260 39.721 38.460 0.002 0.000 1.325 1304 Y HN 0.714 nan 8.280 nan 0.000 0.457 1305 L N 4.695 126.095 121.223 0.295 0.000 2.418 1305 L HA 0.359 4.697 4.340 -0.003 0.000 0.274 1305 L C -0.777 176.257 176.870 0.273 0.000 1.135 1305 L CA 0.223 55.230 54.840 0.279 0.000 0.870 1305 L CB 0.029 42.236 42.059 0.246 0.000 1.154 1305 L HN 0.919 nan 8.230 nan 0.000 0.462 1306 K N 4.854 125.393 120.400 0.233 0.000 2.495 1306 K HA 0.687 5.005 4.320 -0.003 0.000 0.268 1306 K C -1.664 175.066 176.600 0.216 0.000 1.008 1306 K CA -1.087 55.316 56.287 0.194 0.000 0.882 1306 K CB 1.712 34.270 32.500 0.096 0.000 1.443 1306 K HN 0.391 nan 8.250 nan 0.000 0.447 1307 L N 0.584 121.918 121.223 0.185 0.000 2.342 1307 L HA 0.407 4.745 4.340 -0.003 0.000 0.271 1307 L C -0.791 176.141 176.870 0.102 0.000 1.008 1307 L CA -1.073 53.864 54.840 0.161 0.000 0.818 1307 L CB 1.795 43.971 42.059 0.194 0.000 1.296 1307 L HN 0.720 nan 8.230 nan 0.000 0.427 1308 D N 0.925 121.357 120.400 0.053 0.000 2.280 1308 D HA 0.174 4.812 4.640 -0.003 0.000 0.243 1308 D C -0.146 176.190 176.300 0.060 0.000 1.129 1308 D CA -0.357 53.667 54.000 0.039 0.000 0.848 1308 D CB 1.698 42.487 40.800 -0.018 0.000 1.107 1308 D HN 0.554 nan 8.370 nan 0.000 0.471 1309 C N 2.750 122.117 119.300 0.110 0.000 2.688 1309 C HA 0.121 4.579 4.460 -0.003 0.000 0.297 1309 C C 2.332 177.420 174.990 0.163 0.000 1.308 1309 C CA -0.388 58.714 59.018 0.140 0.000 1.726 1309 C CB -1.337 26.561 27.740 0.264 0.000 1.982 1309 C HN 0.600 nan 8.230 nan 0.000 0.604 1310 S N 1.632 117.401 115.700 0.114 0.000 2.374 1310 S HA -0.256 4.212 4.470 -0.003 0.000 0.227 1310 S C 2.045 176.721 174.600 0.127 0.000 1.037 1310 S CA 1.558 59.825 58.200 0.112 0.000 1.024 1310 S CB -0.153 63.081 63.200 0.057 0.000 0.861 1310 S HN 0.760 nan 8.310 nan 0.000 0.456 1311 K N 1.000 121.456 120.400 0.093 0.000 2.057 1311 K HA -0.060 4.258 4.320 -0.003 0.000 0.207 1311 K C 2.232 179.036 176.600 0.341 0.000 1.049 1311 K CA 1.163 57.521 56.287 0.118 0.000 0.931 1311 K CB -0.295 32.171 32.500 -0.058 0.000 0.714 1311 K HN 0.322 nan 8.250 nan 0.000 0.440 1312 A N 1.139 124.165 122.820 0.342 0.000 1.872 1312 A HA -0.163 4.155 4.320 -0.003 0.000 0.214 1312 A C 1.713 179.502 177.584 0.342 0.000 1.187 1312 A CA 1.709 53.981 52.037 0.391 0.000 0.614 1312 A CB -0.762 18.314 19.000 0.127 0.000 0.826 1312 A HN 0.459 nan 8.150 nan 0.000 0.442 1313 N N -1.130 117.746 118.700 0.292 0.000 2.018 1313 N HA -0.222 4.516 4.740 -0.003 0.000 0.196 1313 N C 1.814 177.429 175.510 0.175 0.000 1.043 1313 N CA 1.860 54.997 53.050 0.145 0.000 0.856 1313 N CB -0.226 38.416 38.487 0.258 0.000 1.042 1313 N HN 0.382 nan 8.380 nan 0.000 0.423 1314 M N 1.035 120.761 119.600 0.211 0.000 2.077 1314 M HA -0.129 4.349 4.480 -0.003 0.000 0.261 1314 M C 1.550 177.976 176.300 0.209 0.000 1.070 1314 M CA 1.753 57.167 55.300 0.191 0.000 1.125 1314 M CB 0.073 32.764 32.600 0.152 0.000 1.339 1314 M HN 0.104 nan 8.290 nan 0.000 0.409 1315 Q N -1.408 118.561 119.800 0.281 0.000 2.392 1315 Q HA 0.180 4.518 4.340 -0.003 0.000 0.203 1315 Q C 1.261 177.473 176.000 0.354 0.000 0.917 1315 Q CA 0.460 56.464 55.803 0.335 0.000 0.939 1315 Q CB 0.503 29.479 28.738 0.396 0.000 1.063 1315 Q HN 0.439 nan 8.270 nan 0.000 0.516 1316 L N -1.233 120.151 121.223 0.268 0.000 2.920 1316 L HA 0.319 4.657 4.340 -0.003 0.000 0.257 1316 L C 0.826 177.780 176.870 0.141 0.000 1.150 1316 L CA 0.174 55.110 54.840 0.159 0.000 0.959 1316 L CB 0.746 42.842 42.059 0.063 0.000 1.321 1316 L HN 0.353 nan 8.230 nan 0.000 0.555 1317 G N 0.474 109.360 108.800 0.143 0.000 2.179 1317 G HA2 -0.327 3.631 3.960 -0.003 0.000 0.257 1317 G HA3 -0.327 3.631 3.960 -0.003 0.000 0.257 1317 G C -0.136 174.697 174.900 -0.112 0.000 1.010 1317 G CA 0.298 45.455 45.100 0.095 0.000 0.736 1317 G HN 0.441 nan 8.290 nan 0.000 0.513 1318 W N 2.084 123.211 121.300 -0.289 0.000 2.272 1318 W HA 0.686 5.344 4.660 -0.004 0.000 0.318 1318 W C 0.219 176.303 176.519 -0.725 0.000 1.255 1318 W CA -0.245 56.927 57.345 -0.289 0.000 1.200 1318 W CB 0.553 30.043 29.460 0.049 0.000 1.170 1318 W HN 0.274 nan 8.180 nan 0.000 0.549 1319 H N 5.493 123.972 119.070 -0.985 0.000 2.974 1319 H HA 0.294 4.848 4.556 -0.003 0.000 0.366 1319 H C -2.295 172.211 175.328 -1.371 0.000 1.155 1319 H CA -1.849 53.589 56.048 -1.017 0.000 1.186 1319 H CB 1.505 31.015 29.762 -0.421 0.000 1.799 1319 H HN 0.178 nan 8.280 nan 0.000 0.541 1320 P HA 0.188 nan 4.420 nan 0.000 0.272 1320 P C 0.609 177.745 177.300 -0.273 0.000 1.230 1320 P CA -0.413 62.407 63.100 -0.466 0.000 0.788 1320 P CB 1.751 33.410 31.700 -0.069 0.000 0.949 1321 R N 0.134 120.493 120.500 -0.235 0.000 2.164 1321 R HA 0.146 4.484 4.340 -0.003 0.000 0.198 1321 R C 0.279 176.537 176.300 -0.069 0.000 1.028 1321 R CA 0.661 56.556 56.100 -0.341 0.000 1.083 1321 R CB -0.129 29.626 30.300 -0.907 0.000 1.026 1321 R HN 0.485 nan 8.270 nan 0.000 0.514 1322 W N 1.853 123.196 121.300 0.071 0.000 2.512 1322 W HA 0.584 5.242 4.660 -0.003 0.000 0.335 1322 W C 0.563 177.134 176.519 0.086 0.000 1.088 1322 W CA -1.572 55.810 57.345 0.063 0.000 1.236 1322 W CB 0.480 29.979 29.460 0.065 0.000 1.307 1322 W HN 0.016 nan 8.180 nan 0.000 0.567 1323 G N 1.539 110.527 108.800 0.313 0.000 2.476 1323 G HA2 0.300 4.258 3.960 -0.003 0.000 0.286 1323 G HA3 0.300 4.258 3.960 -0.003 0.000 0.286 1323 G C 0.572 175.605 174.900 0.220 0.000 1.177 1323 G CA -0.616 44.611 45.100 0.211 0.000 0.870 1323 G HN 0.502 nan 8.290 nan 0.000 0.528 1324 L N 1.588 122.929 121.223 0.197 0.000 1.976 1324 L HA -0.215 4.123 4.340 -0.003 0.000 0.223 1324 L C 3.025 180.010 176.870 0.191 0.000 1.081 1324 L CA 3.083 58.048 54.840 0.209 0.000 0.784 1324 L CB -1.092 41.089 42.059 0.202 0.000 0.896 1324 L HN 0.655 nan 8.230 nan 0.000 0.438 1325 T N -0.851 113.813 114.554 0.185 0.000 2.597 1325 T HA -0.337 4.011 4.350 -0.003 0.000 0.267 1325 T C 1.705 176.455 174.700 0.083 0.000 1.053 1325 T CA 1.834 64.024 62.100 0.149 0.000 1.165 1325 T CB -0.489 68.466 68.868 0.145 0.000 0.863 1325 T HN 0.567 nan 8.240 nan 0.000 0.427 1326 E N 0.383 120.616 120.200 0.056 0.000 2.049 1326 E HA -0.214 4.134 4.350 -0.003 0.000 0.198 1326 E C 2.307 178.877 176.600 -0.050 0.000 1.007 1326 E CA 1.765 58.133 56.400 -0.053 0.000 0.809 1326 E CB -0.293 29.337 29.700 -0.118 0.000 0.749 1326 E HN 0.396 nan 8.360 nan 0.000 0.450 1327 T N 1.239 115.860 114.554 0.112 0.000 2.720 1327 T HA -0.164 4.184 4.350 -0.003 0.000 0.268 1327 T C 1.787 176.579 174.700 0.154 0.000 1.037 1327 T CA 1.238 63.484 62.100 0.243 0.000 1.144 1327 T CB -0.197 68.887 68.868 0.360 0.000 0.864 1327 T HN 0.160 nan 8.240 nan 0.000 0.444 1328 L N 1.049 122.331 121.223 0.098 0.000 1.989 1328 L HA -0.159 4.179 4.340 -0.003 0.000 0.211 1328 L C 2.975 179.881 176.870 0.061 0.000 1.071 1328 L CA 1.929 56.800 54.840 0.051 0.000 0.749 1328 L CB -0.854 41.231 42.059 0.043 0.000 0.890 1328 L HN 0.422 nan 8.230 nan 0.000 0.431 1329 S N 0.201 115.928 115.700 0.044 0.000 2.359 1329 S HA -0.249 4.219 4.470 -0.003 0.000 0.224 1329 S C 2.038 176.668 174.600 0.050 0.000 1.035 1329 S CA 1.277 59.500 58.200 0.038 0.000 1.018 1329 S CB -0.383 62.813 63.200 -0.007 0.000 0.876 1329 S HN 0.368 nan 8.310 nan 0.000 0.448 1330 R N 0.594 121.097 120.500 0.006 0.000 2.105 1330 R HA 0.044 4.382 4.340 -0.003 0.000 0.239 1330 R C 2.399 178.808 176.300 0.181 0.000 1.135 1330 R CA 1.723 57.841 56.100 0.029 0.000 0.967 1330 R CB -0.691 29.526 30.300 -0.139 0.000 0.861 1330 R HN 0.484 nan 8.270 nan 0.000 0.442 1331 I N 0.225 120.889 120.570 0.158 0.000 2.142 1331 I HA -0.263 3.906 4.170 -0.003 0.000 0.240 1331 I C 2.303 178.578 176.117 0.264 0.000 1.078 1331 I CA 1.215 62.605 61.300 0.151 0.000 1.343 1331 I CB -0.242 37.773 38.000 0.027 0.000 1.046 1331 I HN -0.024 nan 8.210 nan 0.000 0.405 1332 V N 1.053 121.107 119.914 0.232 0.000 2.295 1332 V HA -0.296 3.822 4.120 -0.003 0.000 0.246 1332 V C 2.413 178.702 176.094 0.325 0.000 1.049 1332 V CA 1.848 64.344 62.300 0.328 0.000 1.024 1332 V CB -0.693 31.295 31.823 0.275 0.000 0.648 1332 V HN 0.392 nan 8.190 nan 0.000 0.447 1333 K N -1.370 119.166 120.400 0.227 0.000 2.097 1333 K HA -0.263 4.055 4.320 -0.003 0.000 0.206 1333 K C 1.988 178.756 176.600 0.281 0.000 1.049 1333 K CA 2.057 58.453 56.287 0.182 0.000 0.933 1333 K CB -0.335 32.227 32.500 0.104 0.000 0.717 1333 K HN 0.665 nan 8.250 nan 0.000 0.442 1334 W N 1.227 122.638 121.300 0.184 0.000 2.402 1334 W HA -0.194 4.463 4.660 -0.004 0.000 0.286 1334 W C 2.181 178.885 176.519 0.308 0.000 1.221 1334 W CA 1.451 58.935 57.345 0.231 0.000 1.257 1334 W CB -0.015 29.600 29.460 0.259 0.000 1.120 1334 W HN 0.194 nan 8.180 nan 0.000 0.551 1335 H N 0.568 120.054 119.070 0.694 0.000 2.299 1335 H HA -0.110 4.443 4.556 -0.004 0.000 0.302 1335 H C 2.178 177.826 175.328 0.534 0.000 1.078 1335 H CA 2.621 59.089 56.048 0.700 0.000 1.323 1335 H CB -0.155 29.979 29.762 0.620 0.000 1.381 1335 H HN 0.015 nan 8.280 nan 0.000 0.498 1336 K N -0.094 120.510 120.400 0.339 0.000 1.991 1336 K HA -0.174 4.144 4.320 -0.003 0.000 0.212 1336 K C 2.421 179.026 176.600 0.008 0.000 1.049 1336 K CA 1.140 57.489 56.287 0.103 0.000 0.932 1336 K CB -0.388 32.084 32.500 -0.048 0.000 0.717 1336 K HN 0.316 nan 8.250 nan 0.000 0.441 1337 A N 1.504 124.315 122.820 -0.016 0.000 1.896 1337 A HA -0.251 4.067 4.320 -0.003 0.000 0.220 1337 A C 1.983 179.487 177.584 -0.132 0.000 1.206 1337 A CA 2.054 54.025 52.037 -0.109 0.000 0.647 1337 A CB -1.239 17.650 19.000 -0.184 0.000 0.828 1337 A HN 0.662 nan 8.150 nan 0.000 0.455 1338 W N 0.552 121.627 121.300 -0.376 0.000 2.332 1338 W HA -0.217 4.441 4.660 -0.004 0.000 0.321 1338 W C 1.924 178.333 176.519 -0.183 0.000 1.219 1338 W CA 1.951 59.090 57.345 -0.343 0.000 1.277 1338 W CB -0.704 28.554 29.460 -0.338 0.000 1.161 1338 W HN 0.319 nan 8.180 nan 0.000 0.476 1339 I N 0.779 121.113 120.570 -0.393 0.000 2.145 1339 I HA -0.369 3.799 4.170 -0.003 0.000 0.244 1339 I C 2.316 178.181 176.117 -0.420 0.000 1.075 1339 I CA 1.956 62.887 61.300 -0.615 0.000 1.332 1339 I CB -0.617 37.270 38.000 -0.188 0.000 1.033 1339 I HN 0.025 nan 8.210 nan 0.000 0.410 1340 R N 0.549 120.900 120.500 -0.249 0.000 2.339 1340 R HA 0.034 4.372 4.340 -0.003 0.000 0.199 1340 R C 1.278 177.462 176.300 -0.192 0.000 1.018 1340 R CA 0.671 56.659 56.100 -0.186 0.000 1.036 1340 R CB -0.089 30.133 30.300 -0.129 0.000 0.899 1340 R HN 0.569 nan 8.270 nan 0.000 0.473 1341 G N 1.139 109.789 108.800 -0.250 0.000 2.132 1341 G HA2 -0.280 3.678 3.960 -0.003 0.000 0.234 1341 G HA3 -0.280 3.678 3.960 -0.003 0.000 0.234 1341 G C -0.301 174.516 174.900 -0.139 0.000 0.989 1341 G CA -0.221 44.758 45.100 -0.202 0.000 0.676 1341 G HN 0.396 nan 8.290 nan 0.000 0.522 1342 E N 0.354 120.473 120.200 -0.135 0.000 2.392 1342 E HA 0.303 4.651 4.350 -0.003 0.000 0.259 1342 E C -0.083 176.460 176.600 -0.095 0.000 1.108 1342 E CA -0.334 56.002 56.400 -0.108 0.000 0.916 1342 E CB 0.664 30.296 29.700 -0.114 0.000 0.989 1342 E HN 0.203 nan 8.360 nan 0.000 0.432 1343 D N 2.007 122.363 120.400 -0.072 0.000 2.342 1343 D HA -0.039 4.599 4.640 -0.003 0.000 0.260 1343 D C 0.447 176.708 176.300 -0.065 0.000 1.278 1343 D CA -0.119 53.850 54.000 -0.052 0.000 0.910 1343 D CB 0.661 41.440 40.800 -0.035 0.000 1.079 1343 D HN 0.250 nan 8.370 nan 0.000 0.496 1344 M N 3.814 123.377 119.600 -0.062 0.000 2.394 1344 M HA -0.047 4.431 4.480 -0.003 0.000 0.264 1344 M C 1.754 178.062 176.300 0.013 0.000 1.073 1344 M CA 0.472 55.719 55.300 -0.089 0.000 1.111 1344 M CB -0.955 31.598 32.600 -0.079 0.000 1.401 1344 M HN 0.511 nan 8.290 nan 0.000 0.448 1345 L N 0.042 121.270 121.223 0.008 0.000 2.056 1345 L HA -0.111 4.227 4.340 -0.003 0.000 0.207 1345 L C 2.132 179.023 176.870 0.035 0.000 1.078 1345 L CA 1.562 56.411 54.840 0.014 0.000 0.749 1345 L CB -0.480 41.573 42.059 -0.009 0.000 0.901 1345 L HN 0.140 nan 8.230 nan 0.000 0.433 1346 I N -0.966 119.615 120.570 0.018 0.000 2.179 1346 I HA -0.362 3.806 4.170 -0.003 0.000 0.242 1346 I C 2.464 178.615 176.117 0.056 0.000 1.088 1346 I CA 1.683 62.999 61.300 0.027 0.000 1.357 1346 I CB -0.338 37.667 38.000 0.007 0.000 1.051 1346 I HN 0.419 nan 8.210 nan 0.000 0.409 1347 C N -0.704 118.623 119.300 0.044 0.000 2.422 1347 C HA -0.102 4.356 4.460 -0.003 0.000 0.279 1347 C C 3.004 178.153 174.990 0.265 0.000 1.305 1347 C CA 0.771 59.843 59.018 0.089 0.000 1.757 1347 C CB -1.356 26.363 27.740 -0.035 0.000 1.962 1347 C HN 0.448 nan 8.230 nan 0.000 0.499 1348 S N 0.522 116.413 115.700 0.319 0.000 2.382 1348 S HA -0.153 4.315 4.470 -0.003 0.000 0.228 1348 S C 2.020 176.831 174.600 0.352 0.000 1.027 1348 S CA 1.157 59.658 58.200 0.503 0.000 0.991 1348 S CB -0.234 63.124 63.200 0.264 0.000 0.823 1348 S HN 0.620 nan 8.310 nan 0.000 0.469 1349 K N 0.605 121.113 120.400 0.179 0.000 2.026 1349 K HA -0.008 4.310 4.320 -0.003 0.000 0.208 1349 K C 2.249 178.898 176.600 0.082 0.000 1.048 1349 K CA 0.911 57.255 56.287 0.096 0.000 0.929 1349 K CB -0.102 32.435 32.500 0.062 0.000 0.713 1349 K HN 0.010 nan 8.250 nan 0.000 0.439 1350 R N 1.122 121.686 120.500 0.106 0.000 2.148 1350 R HA -0.094 4.244 4.340 -0.003 0.000 0.227 1350 R C 1.905 178.272 176.300 0.112 0.000 1.103 1350 R CA 1.055 57.209 56.100 0.091 0.000 0.983 1350 R CB -0.452 29.899 30.300 0.084 0.000 0.874 1350 R HN 0.277 nan 8.270 nan 0.000 0.451 1351 E N 0.250 120.556 120.200 0.176 0.000 2.077 1351 E HA -0.077 4.271 4.350 -0.003 0.000 0.193 1351 E C 1.737 178.378 176.600 0.068 0.000 0.989 1351 E CA 1.155 57.669 56.400 0.189 0.000 0.800 1351 E CB -0.136 29.747 29.700 0.305 0.000 0.746 1351 E HN 0.277 nan 8.360 nan 0.000 0.452 1352 I N -0.019 120.502 120.570 -0.082 0.000 2.202 1352 I HA -0.271 3.897 4.170 -0.003 0.000 0.242 1352 I C 2.527 178.529 176.117 -0.191 0.000 1.091 1352 I CA 1.248 62.303 61.300 -0.408 0.000 1.368 1352 I CB -0.487 37.152 38.000 -0.601 0.000 1.058 1352 I HN 0.174 nan 8.210 nan 0.000 0.410 1353 S N 1.016 116.681 115.700 -0.060 0.000 2.365 1353 S HA -0.272 4.196 4.470 -0.003 0.000 0.225 1353 S C 1.733 176.375 174.600 0.071 0.000 1.039 1353 S CA 2.179 60.390 58.200 0.019 0.000 1.033 1353 S CB -0.446 62.777 63.200 0.039 0.000 0.887 1353 S HN 0.378 nan 8.310 nan 0.000 0.447 1354 D N -0.302 120.171 120.400 0.121 0.000 2.117 1354 D HA -0.062 4.576 4.640 -0.003 0.000 0.198 1354 D C 1.635 178.121 176.300 0.310 0.000 0.982 1354 D CA 1.313 55.435 54.000 0.204 0.000 0.828 1354 D CB -0.683 40.245 40.800 0.214 0.000 0.967 1354 D HN 0.643 nan 8.370 nan 0.000 0.464 1355 Y N 0.699 121.088 120.300 0.149 0.000 2.224 1355 Y HA -0.073 4.475 4.550 -0.003 0.000 0.289 1355 Y C 2.179 178.027 175.900 -0.087 0.000 1.146 1355 Y CA 1.093 59.098 58.100 -0.158 0.000 1.182 1355 Y CB -0.176 37.897 38.460 -0.644 0.000 0.983 1355 Y HN -0.147 nan 8.280 nan 0.000 0.524 1356 M N 0.442 120.095 119.600 0.088 0.000 2.763 1356 M HA -0.076 4.402 4.480 -0.003 0.000 0.244 1356 M C -0.166 176.149 176.300 0.025 0.000 1.065 1356 M CA 0.578 55.935 55.300 0.095 0.000 1.070 1356 M CB -0.279 32.435 32.600 0.190 0.000 1.494 1356 M HN 0.173 nan 8.290 nan 0.000 0.546 1357 S N 0.000 115.696 115.700 -0.006 0.000 2.498 1357 S HA 0.000 4.468 4.470 -0.003 0.000 0.327 1357 S CA 0.000 58.199 58.200 -0.001 0.000 1.107 1357 S CB 0.000 63.222 63.200 0.037 0.000 0.593 1357 S HN 0.000 nan 8.310 nan 0.000 0.517