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 3aen_1_C DATA FIRST_RESID 1003 DATA SEQUENCE AQDITTTLLH PKGDHVLHSH AYPIFQTSTF CFDSTQQGAD LFMGKGEGHI DATA SEQUENCE YSRLGNPTVE QFEEMVCSIE GAAGSAAFGS GMGAISSSTL AFLQKGDHLI DATA SEQUENCE AGDTLYGCTV SLFTHWLPRF GIEVDLIDTS DVEKVKAAWK PNTKMVYLES DATA SEQUENCE PANPTCKVSD IKGIAVVCHE RGARLVVDAT FTSPCFLKPL ELGADIALHS DATA SEQUENCE VSXYINGHGD VIGGVSSAKT AEDIATIKFY RKDAGSLMAP MDAFLCARGM DATA SEQUENCE KTLPIRMQIH MENGLKVAKF LEQHEKIVKV NHPGLESFPG HDIAKKQMTG DATA SEQUENCE YGSTFLFEMK SFEAAKKLME HLKVCTLAVS LGCVDTLIEH PASMTHAAVP DATA SEQUENCE ENIMRKQGIT PELVRISVGI ENVDDIIADL KQALELW 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 A HA 0.000 nan 4.320 nan 0.000 0.244 1003 A C 0.000 177.585 177.584 0.002 0.000 1.274 1003 A CA 0.000 52.037 52.037 0.000 0.000 0.836 1003 A CB 0.000 19.001 19.000 0.001 0.000 0.831 1004 Q N 1.639 121.440 119.800 0.000 0.000 2.300 1004 Q HA 0.219 4.557 4.340 -0.004 0.000 0.280 1004 Q C -0.034 175.971 176.000 0.008 0.000 1.033 1004 Q CA 0.208 56.012 55.803 0.003 0.000 0.903 1004 Q CB 0.483 29.221 28.738 0.001 0.000 1.195 1004 Q HN 0.715 nan 8.270 nan 0.000 0.386 1005 D N 2.654 123.062 120.400 0.013 0.000 2.399 1005 D HA -0.072 4.565 4.640 -0.004 0.000 0.241 1005 D C 0.997 177.306 176.300 0.014 0.000 1.133 1005 D CA -0.210 53.798 54.000 0.015 0.000 0.890 1005 D CB 0.634 41.446 40.800 0.020 0.000 1.201 1005 D HN 0.631 nan 8.370 nan 0.000 0.432 1006 I N 2.589 123.161 120.570 0.003 0.000 2.264 1006 I HA -0.263 3.905 4.170 -0.004 0.000 0.248 1006 I C 1.863 177.980 176.117 -0.001 0.000 1.111 1006 I CA 1.724 63.019 61.300 -0.009 0.000 1.382 1006 I CB -0.596 37.384 38.000 -0.033 0.000 1.060 1006 I HN 0.569 nan 8.210 nan 0.000 0.418 1007 T N -0.016 114.543 114.554 0.007 0.000 2.635 1007 T HA -0.215 4.133 4.350 -0.004 0.000 0.267 1007 T C 1.794 176.523 174.700 0.049 0.000 1.040 1007 T CA 2.403 64.515 62.100 0.019 0.000 1.156 1007 T CB -0.760 68.123 68.868 0.025 0.000 0.863 1007 T HN 0.433 nan 8.240 nan 0.000 0.430 1008 T N 1.686 116.284 114.554 0.074 0.000 2.737 1008 T HA -0.107 4.241 4.350 -0.004 0.000 0.265 1008 T C 2.321 177.126 174.700 0.176 0.000 1.038 1008 T CA 1.617 63.809 62.100 0.153 0.000 1.144 1008 T CB -0.824 68.102 68.868 0.097 0.000 0.866 1008 T HN 0.384 nan 8.240 nan 0.000 0.434 1009 T N 2.507 117.112 114.554 0.086 0.000 2.665 1009 T HA -0.027 4.321 4.350 -0.004 0.000 0.268 1009 T C 1.932 176.652 174.700 0.033 0.000 1.035 1009 T CA 1.029 63.165 62.100 0.059 0.000 1.151 1009 T CB -0.513 68.365 68.868 0.016 0.000 0.862 1009 T HN 0.254 nan 8.240 nan 0.000 0.438 1010 L N 0.178 121.404 121.223 0.005 0.000 2.201 1010 L HA 0.045 4.383 4.340 -0.004 0.000 0.212 1010 L C 2.223 179.059 176.870 -0.056 0.000 1.105 1010 L CA 0.864 55.686 54.840 -0.029 0.000 0.775 1010 L CB -0.394 41.645 42.059 -0.034 0.000 0.913 1010 L HN 0.270 nan 8.230 nan 0.000 0.440 1011 L N -1.303 119.880 121.223 -0.066 0.000 2.492 1011 L HA -0.039 4.298 4.340 -0.004 0.000 0.223 1011 L C 0.605 177.154 176.870 -0.535 0.000 1.132 1011 L CA 0.360 55.062 54.840 -0.230 0.000 0.850 1011 L CB -0.101 41.852 42.059 -0.176 0.000 0.966 1011 L HN 0.323 nan 8.230 nan 0.000 0.454 1012 H N 0.038 119.119 119.070 0.019 0.000 2.439 1012 H HA 0.303 4.857 4.556 -0.004 0.000 0.230 1012 H C -2.234 173.092 175.328 -0.003 0.000 1.420 1012 H CA -1.597 54.466 56.048 0.025 0.000 1.305 1012 H CB 0.239 30.019 29.762 0.031 0.000 1.667 1012 H HN 0.071 nan 8.280 nan 0.000 0.515 1013 P HA 0.136 nan 4.420 nan 0.000 0.277 1013 P C 0.194 177.482 177.300 -0.020 0.000 1.240 1013 P CA -0.504 62.586 63.100 -0.017 0.000 0.798 1013 P CB 1.872 33.537 31.700 -0.059 0.000 0.979 1014 K N 0.725 121.106 120.400 -0.033 0.000 2.380 1014 K HA 0.485 4.803 4.320 -0.004 0.000 0.267 1014 K C 0.648 177.213 176.600 -0.059 0.000 0.990 1014 K CA 0.541 56.804 56.287 -0.040 0.000 0.946 1014 K CB -0.144 32.333 32.500 -0.039 0.000 0.937 1014 K HN 0.904 nan 8.250 nan 0.000 0.491 1015 G N 1.674 110.438 108.800 -0.060 0.000 2.402 1015 G HA2 -0.077 3.881 3.960 -0.004 0.000 0.666 1015 G HA3 -0.077 3.881 3.960 -0.004 0.000 0.666 1015 G C -1.634 173.226 174.900 -0.067 0.000 1.402 1015 G CA -1.093 43.981 45.100 -0.044 0.000 0.920 1015 G HN 0.524 nan 8.290 nan 0.000 0.651 1016 D N 1.128 121.514 120.400 -0.022 0.000 2.372 1016 D HA 0.316 4.954 4.640 -0.004 0.000 0.243 1016 D C 0.823 177.123 176.300 0.000 0.000 1.121 1016 D CA 0.107 54.078 54.000 -0.050 0.000 0.898 1016 D CB 0.349 41.150 40.800 0.002 0.000 1.202 1016 D HN 0.369 nan 8.370 nan 0.000 0.428 1017 H N -0.018 119.090 119.070 0.064 0.000 2.852 1017 H HA 0.118 4.671 4.556 -0.004 0.000 0.362 1017 H C -0.112 175.205 175.328 -0.017 0.000 1.122 1017 H CA 0.003 56.076 56.048 0.042 0.000 1.419 1017 H CB 0.588 30.352 29.762 0.004 0.000 1.401 1017 H HN -0.012 nan 8.280 nan 0.000 0.609 1018 V N 4.722 124.673 119.914 0.060 0.000 2.370 1018 V HA 0.004 4.122 4.120 -0.004 0.000 0.279 1018 V C 1.128 177.234 176.094 0.020 0.000 1.029 1018 V CA -0.509 61.795 62.300 0.006 0.000 0.870 1018 V CB 0.886 32.657 31.823 -0.086 0.000 0.984 1018 V HN 0.742 nan 8.190 nan 0.000 0.451 1019 L N 6.205 127.464 121.223 0.060 0.000 3.742 1019 L HA -0.278 4.060 4.340 -0.004 0.000 0.431 1019 L C 1.102 178.102 176.870 0.217 0.000 1.220 1019 L CA 0.613 55.530 54.840 0.129 0.000 0.863 1019 L CB -1.480 40.619 42.059 0.067 0.000 1.751 1019 L HN 1.105 nan 8.230 nan 0.000 0.922 1020 H N -2.504 116.598 119.070 0.054 0.000 3.329 1020 H HA -0.182 4.372 4.556 -0.004 0.000 0.245 1020 H C 1.157 176.458 175.328 -0.045 0.000 1.099 1020 H CA 1.209 57.275 56.048 0.029 0.000 1.186 1020 H CB -1.022 28.748 29.762 0.013 0.000 1.243 1020 H HN 0.520 nan 8.280 nan 0.000 0.319 1021 S N -0.278 115.451 115.700 0.050 0.000 2.544 1021 S HA -0.075 4.393 4.470 -0.004 0.000 0.290 1021 S C 1.628 176.199 174.600 -0.049 0.000 1.276 1021 S CA 0.272 58.474 58.200 0.004 0.000 1.075 1021 S CB 0.520 63.703 63.200 -0.029 0.000 0.849 1021 S HN 0.572 nan 8.310 nan 0.000 0.494 1022 H N 4.055 123.044 119.070 -0.134 0.000 2.299 1022 H HA 0.040 4.593 4.556 -0.004 0.000 0.302 1022 H C 0.976 176.312 175.328 0.013 0.000 1.078 1022 H CA 1.143 57.099 56.048 -0.154 0.000 1.323 1022 H CB -0.235 29.477 29.762 -0.084 0.000 1.381 1022 H HN 0.730 nan 8.280 nan 0.000 0.498 1023 A N 0.510 123.295 122.820 -0.060 0.000 2.388 1023 A HA 0.144 4.461 4.320 -0.004 0.000 0.257 1023 A C -1.008 176.645 177.584 0.114 0.000 1.095 1023 A CA -0.316 51.720 52.037 -0.001 0.000 0.791 1023 A CB -0.240 18.823 19.000 0.105 0.000 1.029 1023 A HN 0.526 nan 8.150 nan 0.000 0.489 1024 Y N 3.226 123.593 120.300 0.112 0.000 2.496 1024 Y HA 0.326 4.873 4.550 -0.004 0.000 0.334 1024 Y C -1.818 174.197 175.900 0.193 0.000 1.080 1024 Y CA -1.193 57.010 58.100 0.172 0.000 1.355 1024 Y CB 0.336 38.897 38.460 0.168 0.000 1.193 1024 Y HN 0.517 nan 8.280 nan 0.000 0.523 1025 P HA 0.105 nan 4.420 nan 0.000 0.271 1025 P C -0.892 176.414 177.300 0.010 0.000 1.233 1025 P CA 0.040 63.044 63.100 -0.160 0.000 0.789 1025 P CB 0.643 32.083 31.700 -0.433 0.000 0.951 1026 I N 1.385 121.859 120.570 -0.160 0.000 2.304 1026 I HA 0.194 4.361 4.170 -0.004 0.000 0.291 1026 I C 0.026 176.051 176.117 -0.152 0.000 1.018 1026 I CA -0.304 60.954 61.300 -0.070 0.000 1.260 1026 I CB -0.027 37.827 38.000 -0.245 0.000 1.390 1026 I HN 0.205 nan 8.210 nan 0.000 0.475 1027 F N 4.863 124.820 119.950 0.011 0.000 2.605 1027 F HA 0.154 4.679 4.527 -0.003 0.000 0.352 1027 F C 1.051 176.812 175.800 -0.064 0.000 1.236 1027 F CA -0.377 57.612 58.000 -0.020 0.000 1.267 1027 F CB 0.123 39.159 39.000 0.061 0.000 1.632 1027 F HN 0.477 nan 8.300 nan 0.000 0.639 1028 Q N 2.518 122.295 119.800 -0.039 0.000 2.837 1028 Q HA 0.166 4.504 4.340 -0.004 0.000 0.235 1028 Q C -0.310 175.633 176.000 -0.095 0.000 1.348 1028 Q CA 0.145 55.911 55.803 -0.062 0.000 0.990 1028 Q CB 0.179 28.858 28.738 -0.100 0.000 1.570 1028 Q HN 0.424 nan 8.270 nan 0.000 0.575 1029 T N -0.168 114.325 114.554 -0.101 0.000 2.900 1029 T HA 0.446 4.793 4.350 -0.004 0.000 0.303 1029 T C 0.588 175.158 174.700 -0.217 0.000 1.142 1029 T CA 0.080 62.062 62.100 -0.198 0.000 1.007 1029 T CB 1.203 69.859 68.868 -0.354 0.000 1.156 1029 T HN 0.453 nan 8.240 nan 0.000 0.490 1030 S N 2.089 117.655 115.700 -0.222 0.000 2.412 1030 S HA 0.236 4.704 4.470 -0.004 0.000 0.223 1030 S C 1.052 175.485 174.600 -0.278 0.000 1.048 1030 S CA 0.343 58.377 58.200 -0.277 0.000 0.954 1030 S CB -0.160 62.950 63.200 -0.150 0.000 0.840 1030 S HN 0.692 nan 8.310 nan 0.000 0.503 1031 T N 0.419 114.883 114.554 -0.150 0.000 2.938 1031 T HA 0.712 5.060 4.350 -0.004 0.000 0.285 1031 T C -1.801 172.710 174.700 -0.315 0.000 1.028 1031 T CA -0.763 61.346 62.100 0.014 0.000 1.005 1031 T CB 0.806 69.765 68.868 0.151 0.000 1.157 1031 T HN 0.212 nan 8.240 nan 0.000 0.550 1032 F N 0.270 120.204 119.950 -0.027 0.000 2.588 1032 F HA 0.536 5.062 4.527 -0.002 0.000 0.314 1032 F C 0.125 175.798 175.800 -0.212 0.000 1.069 1032 F CA -0.818 57.150 58.000 -0.054 0.000 0.931 1032 F CB 1.363 40.378 39.000 0.025 0.000 1.260 1032 F HN 0.515 nan 8.300 nan 0.000 0.465 1033 C N 2.216 121.546 119.300 0.049 0.000 2.466 1033 C HA 0.556 5.013 4.460 -0.004 0.000 0.379 1033 C C -0.352 174.679 174.990 0.069 0.000 1.251 1033 C CA -0.756 58.233 59.018 -0.047 0.000 2.263 1033 C CB -0.316 27.443 27.740 0.032 0.000 2.511 1033 C HN 0.397 nan 8.230 nan 0.000 0.573 1034 F N 1.523 121.546 119.950 0.121 0.000 2.425 1034 F HA 0.286 4.811 4.527 -0.003 0.000 0.331 1034 F C 1.396 177.243 175.800 0.078 0.000 1.085 1034 F CA -0.826 57.233 58.000 0.100 0.000 1.028 1034 F CB 0.521 39.582 39.000 0.101 0.000 1.177 1034 F HN 0.581 nan 8.300 nan 0.000 0.487 1035 D N 0.235 120.797 120.400 0.270 0.000 2.178 1035 D HA -0.042 4.596 4.640 -0.004 0.000 0.202 1035 D C 0.546 176.926 176.300 0.133 0.000 0.974 1035 D CA 1.282 55.376 54.000 0.157 0.000 0.841 1035 D CB 0.173 41.038 40.800 0.107 0.000 0.953 1035 D HN 0.431 nan 8.370 nan 0.000 0.478 1036 S N -2.714 113.069 115.700 0.137 0.000 2.615 1036 S HA 0.186 4.654 4.470 -0.004 0.000 0.268 1036 S C 0.627 175.271 174.600 0.073 0.000 1.146 1036 S CA -0.289 57.965 58.200 0.090 0.000 0.818 1036 S CB 1.642 64.870 63.200 0.047 0.000 1.111 1036 S HN -0.113 nan 8.310 nan 0.000 0.465 1037 T N 0.177 114.764 114.554 0.056 0.000 2.684 1037 T HA -0.194 4.154 4.350 -0.004 0.000 0.267 1037 T C 1.709 176.384 174.700 -0.041 0.000 1.036 1037 T CA 2.607 64.724 62.100 0.028 0.000 1.148 1037 T CB -0.637 68.251 68.868 0.032 0.000 0.863 1037 T HN 0.653 nan 8.240 nan 0.000 0.436 1038 Q N 0.642 120.422 119.800 -0.034 0.000 2.050 1038 Q HA -0.093 4.245 4.340 -0.004 0.000 0.202 1038 Q C 2.376 178.318 176.000 -0.098 0.000 0.980 1038 Q CA 1.872 57.643 55.803 -0.053 0.000 0.840 1038 Q CB -0.548 28.172 28.738 -0.030 0.000 0.898 1038 Q HN 0.572 nan 8.270 nan 0.000 0.424 1039 Q N -0.785 118.957 119.800 -0.097 0.000 2.096 1039 Q HA -0.144 4.194 4.340 -0.004 0.000 0.204 1039 Q C 1.806 177.615 176.000 -0.318 0.000 0.982 1039 Q CA 1.880 57.604 55.803 -0.131 0.000 0.850 1039 Q CB -0.536 28.174 28.738 -0.047 0.000 0.901 1039 Q HN 0.517 nan 8.270 nan 0.000 0.422 1040 G N 0.353 108.798 108.800 -0.591 0.000 2.404 1040 G HA2 -0.161 3.797 3.960 -0.004 0.000 0.215 1040 G HA3 -0.161 3.797 3.960 -0.004 0.000 0.215 1040 G C 1.571 176.162 174.900 -0.515 0.000 1.174 1040 G CA 1.244 45.524 45.100 -1.367 0.000 0.780 1040 G HN 0.518 nan 8.290 nan 0.000 0.537 1041 A N 1.314 123.996 122.820 -0.229 0.000 1.892 1041 A HA -0.139 4.179 4.320 -0.004 0.000 0.218 1041 A C 2.095 179.665 177.584 -0.024 0.000 1.188 1041 A CA 2.350 54.357 52.037 -0.050 0.000 0.631 1041 A CB -0.631 18.337 19.000 -0.053 0.000 0.822 1041 A HN 0.298 nan 8.150 nan 0.000 0.447 1042 D N -0.079 120.270 120.400 -0.085 0.000 2.104 1042 D HA -0.140 4.498 4.640 -0.004 0.000 0.194 1042 D C 1.897 178.150 176.300 -0.079 0.000 0.994 1042 D CA 1.088 55.046 54.000 -0.070 0.000 0.830 1042 D CB -0.386 40.366 40.800 -0.080 0.000 0.959 1042 D HN 0.443 nan 8.370 nan 0.000 0.452 1043 L N -0.600 120.534 121.223 -0.149 0.000 2.079 1043 L HA -0.166 4.172 4.340 -0.004 0.000 0.210 1043 L C 2.290 179.055 176.870 -0.173 0.000 1.081 1043 L CA 0.833 55.559 54.840 -0.189 0.000 0.752 1043 L CB -0.349 41.552 42.059 -0.263 0.000 0.896 1043 L HN 0.029 nan 8.230 nan 0.000 0.433 1044 F N -0.581 119.308 119.950 -0.102 0.000 2.216 1044 F HA -0.189 4.335 4.527 -0.004 0.000 0.300 1044 F C 2.365 178.137 175.800 -0.047 0.000 1.085 1044 F CA 1.075 59.047 58.000 -0.047 0.000 1.326 1044 F CB -0.175 38.803 39.000 -0.038 0.000 1.027 1044 F HN 0.025 nan 8.300 nan 0.000 0.497 1045 M N -0.609 119.052 119.600 0.102 0.000 2.618 1045 M HA 0.163 4.640 4.480 -0.004 0.000 0.240 1045 M C 1.499 177.793 176.300 -0.010 0.000 1.123 1045 M CA 0.854 56.174 55.300 0.034 0.000 1.060 1045 M CB -0.353 32.253 32.600 0.010 0.000 1.535 1045 M HN 0.272 nan 8.290 nan 0.000 0.507 1046 G N 2.005 110.785 108.800 -0.035 0.000 2.143 1046 G HA2 -0.297 3.660 3.960 -0.004 0.000 0.248 1046 G HA3 -0.297 3.660 3.960 -0.004 0.000 0.248 1046 G C 0.021 174.882 174.900 -0.065 0.000 0.991 1046 G CA 0.423 45.486 45.100 -0.061 0.000 0.689 1046 G HN 0.493 nan 8.290 nan 0.000 0.522 1047 K N 0.374 120.737 120.400 -0.063 0.000 2.183 1047 K HA 0.601 4.918 4.320 -0.004 0.000 0.274 1047 K C 0.910 177.465 176.600 -0.076 0.000 1.009 1047 K CA 0.596 56.846 56.287 -0.060 0.000 0.888 1047 K CB 0.845 33.316 32.500 -0.047 0.000 1.078 1047 K HN 1.680 nan 8.250 nan 0.000 0.459 1048 G N 2.205 110.963 108.800 -0.070 0.000 2.757 1048 G HA2 -0.146 3.812 3.960 -0.004 0.000 0.638 1048 G HA3 -0.146 3.812 3.960 -0.004 0.000 0.638 1048 G C -1.356 173.486 174.900 -0.097 0.000 1.344 1048 G CA -0.813 44.243 45.100 -0.073 0.000 0.855 1048 G HN 0.552 nan 8.290 nan 0.000 0.537 1049 E N 0.363 120.507 120.200 -0.092 0.000 2.179 1049 E HA 0.740 5.087 4.350 -0.004 0.000 0.275 1049 E C 0.688 177.203 176.600 -0.142 0.000 0.945 1049 E CA 0.549 56.875 56.400 -0.122 0.000 0.792 1049 E CB 1.336 30.986 29.700 -0.083 0.000 1.125 1049 E HN 2.071 nan 8.360 nan 0.000 0.397 1050 G N 1.928 110.570 108.800 -0.263 0.000 2.362 1050 G HA2 0.121 4.079 3.960 -0.004 0.000 0.288 1050 G HA3 0.121 4.079 3.960 -0.004 0.000 0.288 1050 G C -1.612 172.937 174.900 -0.586 0.000 1.305 1050 G CA -0.974 43.960 45.100 -0.277 0.000 0.910 1050 G HN 0.512 nan 8.290 nan 0.000 0.518 1051 H N -1.495 117.391 119.070 -0.307 0.000 2.797 1051 H HA 0.763 5.317 4.556 -0.004 0.000 0.372 1051 H C 0.980 176.144 175.328 -0.274 0.000 1.168 1051 H CA -0.643 55.069 56.048 -0.560 0.000 1.163 1051 H CB 2.213 31.124 29.762 -1.418 0.000 1.778 1051 H HN 0.366 nan 8.280 nan 0.000 0.551 1052 I N -0.362 120.169 120.570 -0.065 0.000 3.570 1052 I HA 0.170 4.338 4.170 -0.004 0.000 0.270 1052 I C -0.910 175.455 176.117 0.413 0.000 1.162 1052 I CA 0.065 61.470 61.300 0.174 0.000 1.413 1052 I CB 0.881 38.819 38.000 -0.104 0.000 1.437 1052 I HN 0.376 nan 8.210 nan 0.000 0.457 1053 Y N -0.340 120.098 120.300 0.230 0.000 2.457 1053 Y HA 0.194 4.741 4.550 -0.004 0.000 0.322 1053 Y C 0.602 176.642 175.900 0.233 0.000 1.218 1053 Y CA -0.896 57.367 58.100 0.271 0.000 1.116 1053 Y CB 1.404 39.959 38.460 0.158 0.000 1.335 1053 Y HN -0.162 nan 8.280 nan 0.000 0.452 1054 S N 3.381 118.978 115.700 -0.172 0.000 2.399 1054 S HA -0.164 4.304 4.470 -0.004 0.000 0.231 1054 S C 1.894 176.449 174.600 -0.075 0.000 1.022 1054 S CA 1.609 59.773 58.200 -0.061 0.000 0.983 1054 S CB -0.179 62.951 63.200 -0.116 0.000 0.803 1054 S HN 0.724 nan 8.310 nan 0.000 0.480 1055 R N 1.025 121.445 120.500 -0.132 0.000 2.105 1055 R HA -0.044 4.294 4.340 -0.004 0.000 0.239 1055 R C 1.893 178.255 176.300 0.103 0.000 1.135 1055 R CA 1.216 57.352 56.100 0.060 0.000 0.967 1055 R CB -0.276 30.155 30.300 0.219 0.000 0.861 1055 R HN 0.377 nan 8.270 nan 0.000 0.442 1056 L N -1.256 120.061 121.223 0.157 0.000 2.162 1056 L HA 0.228 4.566 4.340 -0.004 0.000 0.205 1056 L C 0.953 177.847 176.870 0.039 0.000 1.086 1056 L CA 0.583 55.483 54.840 0.100 0.000 0.778 1056 L CB 0.005 42.121 42.059 0.095 0.000 0.928 1056 L HN 0.371 nan 8.230 nan 0.000 0.446 1057 G N -0.047 108.782 108.800 0.048 0.000 2.658 1057 G HA2 0.155 4.112 3.960 -0.004 0.000 0.301 1057 G HA3 0.155 4.112 3.960 -0.004 0.000 0.301 1057 G C -2.024 172.919 174.900 0.070 0.000 1.481 1057 G CA -0.536 44.591 45.100 0.045 0.000 0.931 1057 G HN -0.049 nan 8.290 nan 0.000 0.573 1058 N N 2.664 121.380 118.700 0.025 0.000 2.296 1058 N HA 0.482 5.219 4.740 -0.004 0.000 0.294 1058 N C -2.053 173.385 175.510 -0.121 0.000 1.033 1058 N CA -1.944 51.097 53.050 -0.014 0.000 0.839 1058 N CB 3.540 42.066 38.487 0.066 0.000 1.395 1058 N HN 0.045 nan 8.380 nan 0.000 0.479 1059 P HA -0.054 nan 4.420 nan 0.000 0.216 1059 P C 1.061 178.343 177.300 -0.030 0.000 1.150 1059 P CA 1.549 64.451 63.100 -0.330 0.000 0.837 1059 P CB 0.249 31.473 31.700 -0.795 0.000 0.786 1060 T N -0.688 113.980 114.554 0.190 0.000 2.746 1060 T HA -0.088 4.260 4.350 -0.004 0.000 0.267 1060 T C 1.855 176.620 174.700 0.108 0.000 1.039 1060 T CA 1.280 63.543 62.100 0.272 0.000 1.142 1060 T CB -1.025 68.076 68.868 0.388 0.000 0.866 1060 T HN -0.100 nan 8.240 nan 0.000 0.444 1061 V N 1.451 121.419 119.914 0.090 0.000 2.358 1061 V HA -0.147 3.971 4.120 -0.004 0.000 0.246 1061 V C 2.467 178.602 176.094 0.069 0.000 1.047 1061 V CA 1.595 63.951 62.300 0.094 0.000 1.035 1061 V CB -0.645 31.212 31.823 0.057 0.000 0.658 1061 V HN 0.510 nan 8.190 nan 0.000 0.452 1062 E N -0.423 119.776 120.200 -0.003 0.000 2.118 1062 E HA -0.264 4.084 4.350 -0.004 0.000 0.195 1062 E C 2.410 178.948 176.600 -0.103 0.000 0.992 1062 E CA 1.220 57.593 56.400 -0.045 0.000 0.804 1062 E CB -0.162 29.517 29.700 -0.035 0.000 0.741 1062 E HN 0.525 nan 8.360 nan 0.000 0.458 1063 Q N -0.209 119.479 119.800 -0.186 0.000 2.096 1063 Q HA -0.191 4.147 4.340 -0.004 0.000 0.204 1063 Q C 2.067 177.999 176.000 -0.113 0.000 0.982 1063 Q CA 1.283 56.926 55.803 -0.267 0.000 0.850 1063 Q CB -0.298 28.122 28.738 -0.531 0.000 0.901 1063 Q HN 0.354 nan 8.270 nan 0.000 0.422 1064 F N 1.666 121.537 119.950 -0.131 0.000 2.146 1064 F HA -0.163 4.361 4.527 -0.003 0.000 0.298 1064 F C 1.992 177.754 175.800 -0.064 0.000 1.096 1064 F CA 1.368 59.319 58.000 -0.083 0.000 1.275 1064 F CB 0.101 39.072 39.000 -0.049 0.000 1.008 1064 F HN 0.084 nan 8.300 nan 0.000 0.480 1065 E N -0.040 120.018 120.200 -0.236 0.000 2.085 1065 E HA -0.293 4.055 4.350 -0.004 0.000 0.194 1065 E C 2.007 178.452 176.600 -0.259 0.000 0.994 1065 E CA 1.438 57.674 56.400 -0.273 0.000 0.801 1065 E CB -0.271 29.370 29.700 -0.099 0.000 0.743 1065 E HN 0.454 nan 8.360 nan 0.000 0.453 1066 E N 1.060 121.143 120.200 -0.194 0.000 2.077 1066 E HA -0.191 4.157 4.350 -0.004 0.000 0.193 1066 E C 1.903 178.396 176.600 -0.179 0.000 0.989 1066 E CA 1.413 57.719 56.400 -0.156 0.000 0.800 1066 E CB -0.133 29.489 29.700 -0.130 0.000 0.746 1066 E HN 0.221 nan 8.360 nan 0.000 0.452 1067 M N -0.464 118.998 119.600 -0.230 0.000 2.086 1067 M HA -0.148 4.329 4.480 -0.004 0.000 0.261 1067 M C 2.221 178.372 176.300 -0.249 0.000 1.067 1067 M CA 1.458 56.631 55.300 -0.212 0.000 1.116 1067 M CB -0.235 32.248 32.600 -0.195 0.000 1.348 1067 M HN 0.047 nan 8.290 nan 0.000 0.407 1068 V N -0.411 119.264 119.914 -0.399 0.000 2.295 1068 V HA -0.317 3.801 4.120 -0.004 0.000 0.246 1068 V C 2.475 178.467 176.094 -0.171 0.000 1.049 1068 V CA 1.859 63.967 62.300 -0.319 0.000 1.024 1068 V CB -0.791 30.776 31.823 -0.425 0.000 0.648 1068 V HN 0.688 nan 8.190 nan 0.000 0.447 1069 C N 1.096 120.302 119.300 -0.157 0.000 2.401 1069 C HA -0.192 4.266 4.460 -0.004 0.000 0.276 1069 C C 3.369 178.317 174.990 -0.070 0.000 1.233 1069 C CA 1.813 60.779 59.018 -0.087 0.000 1.753 1069 C CB -1.127 26.565 27.740 -0.080 0.000 2.029 1069 C HN 0.795 nan 8.230 nan 0.000 0.478 1070 S N -0.166 115.482 115.700 -0.086 0.000 2.402 1070 S HA -0.131 4.337 4.470 -0.004 0.000 0.229 1070 S C 1.828 176.395 174.600 -0.055 0.000 1.021 1070 S CA 1.641 59.803 58.200 -0.063 0.000 0.974 1070 S CB -0.731 62.432 63.200 -0.062 0.000 0.800 1070 S HN 0.754 nan 8.310 nan 0.000 0.484 1071 I N 0.918 121.445 120.570 -0.071 0.000 2.716 1071 I HA 0.010 4.177 4.170 -0.004 0.000 0.259 1071 I C 2.101 178.196 176.117 -0.035 0.000 1.172 1071 I CA 0.897 62.161 61.300 -0.060 0.000 1.478 1071 I CB -0.013 37.937 38.000 -0.085 0.000 1.104 1071 I HN 0.171 nan 8.210 nan 0.000 0.439 1072 E N 1.084 121.269 120.200 -0.025 0.000 2.216 1072 E HA -0.017 4.331 4.350 -0.004 0.000 0.192 1072 E C 1.438 178.041 176.600 0.005 0.000 0.988 1072 E CA 0.918 57.324 56.400 0.010 0.000 0.834 1072 E CB -0.184 29.534 29.700 0.030 0.000 0.772 1072 E HN 0.600 nan 8.360 nan 0.000 0.479 1073 G N 1.535 110.330 108.800 -0.009 0.000 2.225 1073 G HA2 -0.232 3.726 3.960 -0.004 0.000 0.264 1073 G HA3 -0.232 3.726 3.960 -0.004 0.000 0.264 1073 G C 0.299 175.197 174.900 -0.003 0.000 1.060 1073 G CA 0.353 45.449 45.100 -0.007 0.000 0.833 1073 G HN 0.506 nan 8.290 nan 0.000 0.498 1074 A N -0.682 122.136 122.820 -0.003 0.000 2.252 1074 A HA 0.949 5.267 4.320 -0.004 0.000 0.305 1074 A C 1.590 179.173 177.584 -0.001 0.000 1.097 1074 A CA 0.547 52.586 52.037 0.005 0.000 0.849 1074 A CB 0.784 19.793 19.000 0.015 0.000 1.142 1074 A HN 1.689 nan 8.150 nan 0.000 0.499 1075 A N -0.362 122.462 122.820 0.007 0.000 2.016 1075 A HA 0.479 4.797 4.320 -0.004 0.000 0.217 1075 A C 1.102 178.688 177.584 0.003 0.000 1.162 1075 A CA 1.527 53.566 52.037 0.004 0.000 0.662 1075 A CB -0.450 18.557 19.000 0.011 0.000 0.812 1075 A HN 2.162 nan 8.150 nan 0.000 0.450 1076 G N -2.526 106.281 108.800 0.013 0.000 2.547 1076 G HA2 0.491 4.448 3.960 -0.004 0.000 0.291 1076 G HA3 0.491 4.448 3.960 -0.004 0.000 0.291 1076 G C -1.218 173.696 174.900 0.022 0.000 1.471 1076 G CA 0.041 45.145 45.100 0.007 0.000 0.798 1076 G HN 0.245 nan 8.290 nan 0.000 0.504 1077 S N -1.268 114.435 115.700 0.004 0.000 2.568 1077 S HA 0.904 5.372 4.470 -0.004 0.000 0.293 1077 S C -0.298 174.314 174.600 0.020 0.000 1.089 1077 S CA -0.098 58.116 58.200 0.023 0.000 0.945 1077 S CB 1.889 65.065 63.200 -0.040 0.000 1.077 1077 S HN 1.711 nan 8.310 nan 0.000 0.485 1078 A N 1.165 124.024 122.820 0.066 0.000 2.359 1078 A HA 0.850 5.167 4.320 -0.004 0.000 0.303 1078 A C -0.426 177.070 177.584 -0.147 0.000 1.066 1078 A CA -0.669 51.320 52.037 -0.080 0.000 0.730 1078 A CB 1.020 19.973 19.000 -0.079 0.000 1.211 1078 A HN 1.020 nan 8.150 nan 0.000 0.439 1079 A N 1.621 124.301 122.820 -0.234 0.000 2.303 1079 A HA 0.909 5.226 4.320 -0.004 0.000 0.317 1079 A C -0.793 176.538 177.584 -0.421 0.000 1.149 1079 A CA -0.204 51.804 52.037 -0.048 0.000 0.822 1079 A CB 0.228 19.341 19.000 0.188 0.000 1.131 1079 A HN 0.778 nan 8.150 nan 0.000 0.493 1080 F N -0.532 119.500 119.950 0.136 0.000 2.650 1080 F HA 0.533 5.058 4.527 -0.004 0.000 0.320 1080 F C 1.497 177.337 175.800 0.068 0.000 1.091 1080 F CA -0.106 57.953 58.000 0.098 0.000 0.962 1080 F CB 1.867 40.929 39.000 0.104 0.000 1.363 1080 F HN 0.616 nan 8.300 nan 0.000 0.482 1081 G N -0.271 108.675 108.800 0.243 0.000 2.559 1081 G HA2 0.255 4.213 3.960 -0.004 0.000 0.216 1081 G HA3 0.255 4.213 3.960 -0.004 0.000 0.216 1081 G C -0.118 174.855 174.900 0.122 0.000 1.126 1081 G CA 0.939 46.120 45.100 0.136 0.000 0.778 1081 G HN 0.654 nan 8.290 nan 0.000 0.543 1082 S N -3.591 112.204 115.700 0.159 0.000 2.595 1082 S HA 0.509 4.977 4.470 -0.004 0.000 0.270 1082 S C 1.044 175.703 174.600 0.098 0.000 1.145 1082 S CA 0.184 58.445 58.200 0.102 0.000 0.825 1082 S CB 1.001 64.242 63.200 0.068 0.000 1.107 1082 S HN 0.432 nan 8.310 nan 0.000 0.461 1083 G N 0.947 109.780 108.800 0.055 0.000 2.469 1083 G HA2 -0.187 3.771 3.960 -0.004 0.000 0.219 1083 G HA3 -0.187 3.771 3.960 -0.004 0.000 0.219 1083 G C 1.171 176.055 174.900 -0.026 0.000 1.150 1083 G CA 1.394 46.504 45.100 0.018 0.000 0.763 1083 G HN 0.568 nan 8.290 nan 0.000 0.561 1084 M N 1.164 120.758 119.600 -0.010 0.000 2.149 1084 M HA 0.001 4.479 4.480 -0.004 0.000 0.261 1084 M C 2.778 179.045 176.300 -0.055 0.000 1.064 1084 M CA 1.065 56.358 55.300 -0.013 0.000 1.102 1084 M CB -1.737 30.882 32.600 0.033 0.000 1.369 1084 M HN 0.268 nan 8.290 nan 0.000 0.408 1085 G N -0.222 108.552 108.800 -0.043 0.000 2.418 1085 G HA2 -0.066 3.891 3.960 -0.004 0.000 0.217 1085 G HA3 -0.066 3.891 3.960 -0.004 0.000 0.217 1085 G C 1.678 176.250 174.900 -0.547 0.000 1.158 1085 G CA 1.203 46.250 45.100 -0.087 0.000 0.771 1085 G HN 0.547 nan 8.290 nan 0.000 0.545 1086 A N 0.634 123.070 122.820 -0.640 0.000 1.898 1086 A HA 0.097 4.415 4.320 -0.004 0.000 0.216 1086 A C 2.403 179.704 177.584 -0.471 0.000 1.181 1086 A CA 1.209 52.640 52.037 -1.011 0.000 0.620 1086 A CB -0.330 18.492 19.000 -0.298 0.000 0.819 1086 A HN 0.365 nan 8.150 nan 0.000 0.442 1087 I N -0.566 119.886 120.570 -0.195 0.000 2.142 1087 I HA -0.231 3.937 4.170 -0.004 0.000 0.240 1087 I C 2.775 178.864 176.117 -0.046 0.000 1.078 1087 I CA 1.462 62.743 61.300 -0.032 0.000 1.343 1087 I CB -0.344 37.649 38.000 -0.012 0.000 1.046 1087 I HN 0.228 nan 8.210 nan 0.000 0.405 1088 S N 0.305 115.953 115.700 -0.086 0.000 2.365 1088 S HA -0.191 4.277 4.470 -0.004 0.000 0.225 1088 S C 2.106 176.581 174.600 -0.208 0.000 1.039 1088 S CA 1.942 60.110 58.200 -0.053 0.000 1.033 1088 S CB -0.200 63.008 63.200 0.014 0.000 0.887 1088 S HN 0.401 nan 8.310 nan 0.000 0.447 1089 S N 0.808 116.348 115.700 -0.267 0.000 2.481 1089 S HA 0.084 4.551 4.470 -0.004 0.000 0.231 1089 S C 1.721 176.140 174.600 -0.301 0.000 0.996 1089 S CA 0.365 58.336 58.200 -0.381 0.000 0.942 1089 S CB -0.014 63.169 63.200 -0.027 0.000 0.768 1089 S HN 0.381 nan 8.310 nan 0.000 0.520 1090 S N 0.756 116.380 115.700 -0.127 0.000 2.548 1090 S HA 0.044 4.511 4.470 -0.004 0.000 0.215 1090 S C 1.889 176.625 174.600 0.227 0.000 0.976 1090 S CA 0.769 59.038 58.200 0.116 0.000 0.908 1090 S CB 0.168 63.455 63.200 0.145 0.000 0.781 1090 S HN 0.823 nan 8.310 nan 0.000 0.519 1091 T N -0.599 113.994 114.554 0.065 0.000 3.182 1091 T HA 0.297 4.645 4.350 -0.004 0.000 0.244 1091 T C 1.530 176.219 174.700 -0.018 0.000 0.981 1091 T CA -0.162 61.998 62.100 0.101 0.000 1.182 1091 T CB -0.611 68.319 68.868 0.103 0.000 1.043 1091 T HN 0.184 nan 8.240 nan 0.000 0.424 1092 L N 1.554 122.660 121.223 -0.195 0.000 2.465 1092 L HA 0.303 4.641 4.340 -0.004 0.000 0.224 1092 L C 2.995 179.561 176.870 -0.507 0.000 1.145 1092 L CA 0.639 55.331 54.840 -0.246 0.000 0.834 1092 L CB -0.508 41.472 42.059 -0.132 0.000 0.944 1092 L HN 0.447 nan 8.230 nan 0.000 0.451 1093 A N -0.373 121.960 122.820 -0.812 0.000 2.067 1093 A HA -0.099 4.219 4.320 -0.004 0.000 0.219 1093 A C 1.766 178.939 177.584 -0.685 0.000 1.158 1093 A CA 1.385 52.950 52.037 -0.788 0.000 0.661 1093 A CB -0.318 18.131 19.000 -0.920 0.000 0.801 1093 A HN 0.406 nan 8.150 nan 0.000 0.452 1094 F N -1.245 118.667 119.950 -0.064 0.000 2.577 1094 F HA 0.351 4.876 4.527 -0.004 0.000 0.276 1094 F C 0.539 176.337 175.800 -0.003 0.000 1.032 1094 F CA -0.420 57.576 58.000 -0.006 0.000 1.297 1094 F CB 0.046 39.044 39.000 -0.004 0.000 1.061 1094 F HN -0.131 nan 8.300 nan 0.000 0.680 1095 L N 2.708 124.015 121.223 0.141 0.000 2.349 1095 L HA 0.293 4.631 4.340 -0.004 0.000 0.275 1095 L C -0.106 176.805 176.870 0.068 0.000 1.115 1095 L CA -0.209 54.680 54.840 0.082 0.000 0.820 1095 L CB 0.758 42.836 42.059 0.032 0.000 1.135 1095 L HN 0.235 nan 8.230 nan 0.000 0.445 1096 Q N 2.693 122.534 119.800 0.068 0.000 2.587 1096 Q HA 0.400 4.738 4.340 -0.004 0.000 0.293 1096 Q C -0.873 175.169 176.000 0.070 0.000 1.083 1096 Q CA -1.185 54.659 55.803 0.067 0.000 0.792 1096 Q CB 1.681 30.455 28.738 0.059 0.000 1.484 1096 Q HN 0.261 nan 8.270 nan 0.000 0.446 1097 K N -0.155 120.291 120.400 0.076 0.000 2.511 1097 K HA -0.070 4.247 4.320 -0.004 0.000 0.277 1097 K C 0.669 177.301 176.600 0.054 0.000 1.025 1097 K CA 2.148 58.479 56.287 0.073 0.000 1.112 1097 K CB -0.472 32.069 32.500 0.069 0.000 0.859 1097 K HN 0.969 nan 8.250 nan 0.000 0.485 1098 G N 3.609 112.437 108.800 0.047 0.000 2.241 1098 G HA2 -0.209 3.749 3.960 -0.004 0.000 0.244 1098 G HA3 -0.209 3.749 3.960 -0.004 0.000 0.244 1098 G C -0.144 174.779 174.900 0.039 0.000 0.998 1098 G CA 0.292 45.414 45.100 0.037 0.000 0.621 1098 G HN 0.692 nan 8.290 nan 0.000 0.519 1099 D N 0.153 120.580 120.400 0.044 0.000 2.344 1099 D HA 0.550 5.187 4.640 -0.004 0.000 0.244 1099 D C 0.224 176.558 176.300 0.057 0.000 1.134 1099 D CA 0.186 54.212 54.000 0.042 0.000 0.930 1099 D CB 1.026 41.843 40.800 0.029 0.000 1.175 1099 D HN 0.444 nan 8.370 nan 0.000 0.437 1100 H N -0.095 118.918 119.070 -0.094 0.000 2.538 1100 H HA 0.534 5.088 4.556 -0.004 0.000 0.353 1100 H C -1.603 173.604 175.328 -0.201 0.000 1.109 1100 H CA -0.937 55.026 56.048 -0.143 0.000 1.192 1100 H CB 1.000 30.670 29.762 -0.153 0.000 1.555 1100 H HN 0.156 nan 8.280 nan 0.000 0.518 1101 L N 5.868 126.693 121.223 -0.665 0.000 2.341 1101 L HA 0.528 4.866 4.340 -0.004 0.000 0.278 1101 L C -1.500 174.872 176.870 -0.829 0.000 1.005 1101 L CA -0.421 54.029 54.840 -0.650 0.000 0.818 1101 L CB 1.050 42.801 42.059 -0.513 0.000 1.259 1101 L HN 0.726 nan 8.230 nan 0.000 0.418 1102 I N 5.134 125.315 120.570 -0.648 0.000 2.354 1102 I HA 0.720 4.887 4.170 -0.004 0.000 0.292 1102 I C -0.017 175.968 176.117 -0.219 0.000 0.989 1102 I CA -0.315 60.737 61.300 -0.413 0.000 1.188 1102 I CB 1.553 39.344 38.000 -0.349 0.000 1.342 1102 I HN 0.846 nan 8.210 nan 0.000 0.457 1103 A N 4.551 127.305 122.820 -0.110 0.000 2.423 1103 A HA 0.836 5.153 4.320 -0.004 0.000 0.304 1103 A C 0.021 177.680 177.584 0.124 0.000 1.104 1103 A CA -0.620 51.462 52.037 0.076 0.000 0.757 1103 A CB 1.225 20.299 19.000 0.124 0.000 1.313 1103 A HN 0.736 nan 8.150 nan 0.000 0.423 1104 G N -0.161 108.755 108.800 0.193 0.000 2.554 1104 G HA2 0.345 4.303 3.960 -0.004 0.000 0.238 1104 G HA3 0.345 4.303 3.960 -0.004 0.000 0.238 1104 G C 0.187 175.163 174.900 0.127 0.000 1.259 1104 G CA 0.497 45.679 45.100 0.137 0.000 0.843 1104 G HN 0.824 nan 8.290 nan 0.000 0.582 1105 D N -1.614 118.838 120.400 0.087 0.000 2.349 1105 D HA -0.021 4.617 4.640 -0.004 0.000 0.215 1105 D C 1.158 177.499 176.300 0.069 0.000 1.016 1105 D CA 0.572 54.615 54.000 0.072 0.000 0.870 1105 D CB 0.174 41.004 40.800 0.050 0.000 0.917 1105 D HN 0.376 nan 8.370 nan 0.000 0.524 1106 T N -0.382 114.216 114.554 0.075 0.000 2.934 1106 T HA 0.588 4.936 4.350 -0.004 0.000 0.328 1106 T C -0.755 173.996 174.700 0.085 0.000 1.068 1106 T CA -0.822 61.318 62.100 0.067 0.000 1.018 1106 T CB -0.024 68.865 68.868 0.034 0.000 1.009 1106 T HN 0.063 nan 8.240 nan 0.000 0.471 1107 L N 3.183 124.472 121.223 0.111 0.000 2.350 1107 L HA 0.567 4.905 4.340 -0.004 0.000 0.260 1107 L C -0.399 176.562 176.870 0.153 0.000 1.015 1107 L CA -1.864 53.049 54.840 0.121 0.000 0.821 1107 L CB 1.542 43.657 42.059 0.093 0.000 1.370 1107 L HN 0.594 nan 8.230 nan 0.000 0.416 1108 Y N 1.046 121.352 120.300 0.009 0.000 3.032 1108 Y HA -0.115 4.432 4.550 -0.004 0.000 0.344 1108 Y C 1.332 177.126 175.900 -0.176 0.000 1.273 1108 Y CA 1.062 59.135 58.100 -0.045 0.000 1.588 1108 Y CB 0.934 39.367 38.460 -0.045 0.000 1.209 1108 Y HN 0.720 nan 8.280 nan 0.000 0.597 1109 G N 3.651 111.798 108.800 -1.088 0.000 2.529 1109 G HA2 -0.331 3.626 3.960 -0.004 0.000 0.219 1109 G HA3 -0.331 3.626 3.960 -0.004 0.000 0.219 1109 G C 1.544 176.084 174.900 -0.600 0.000 1.177 1109 G CA 1.189 45.771 45.100 -0.864 0.000 0.773 1109 G HN 0.824 nan 8.290 nan 0.000 0.573 1110 C N 0.555 119.426 119.300 -0.715 0.000 2.432 1110 C HA 0.033 4.491 4.460 -0.004 0.000 0.280 1110 C C 3.196 178.075 174.990 -0.185 0.000 1.353 1110 C CA 1.314 60.165 59.018 -0.278 0.000 1.766 1110 C CB -1.109 26.593 27.740 -0.063 0.000 1.924 1110 C HN 0.468 nan 8.230 nan 0.000 0.509 1111 T N 1.288 115.725 114.554 -0.195 0.000 2.746 1111 T HA -0.141 4.207 4.350 -0.004 0.000 0.267 1111 T C 1.895 176.254 174.700 -0.568 0.000 1.039 1111 T CA 1.633 63.453 62.100 -0.467 0.000 1.142 1111 T CB -0.340 68.272 68.868 -0.427 0.000 0.866 1111 T HN 0.387 nan 8.240 nan 0.000 0.444 1112 V N 1.410 121.135 119.914 -0.315 0.000 2.332 1112 V HA -0.194 3.924 4.120 -0.004 0.000 0.248 1112 V C 2.728 178.755 176.094 -0.113 0.000 1.055 1112 V CA 2.017 64.217 62.300 -0.167 0.000 1.038 1112 V CB -0.942 30.813 31.823 -0.113 0.000 0.651 1112 V HN 0.509 nan 8.190 nan 0.000 0.450 1113 S N -0.192 115.428 115.700 -0.133 0.000 2.356 1113 S HA -0.204 4.263 4.470 -0.004 0.000 0.223 1113 S C 1.963 176.604 174.600 0.068 0.000 1.032 1113 S CA 2.018 60.186 58.200 -0.053 0.000 1.005 1113 S CB -0.381 62.784 63.200 -0.058 0.000 0.867 1113 S HN 0.444 nan 8.310 nan 0.000 0.449 1114 L N 0.726 121.988 121.223 0.064 0.000 2.012 1114 L HA 0.037 4.375 4.340 -0.004 0.000 0.210 1114 L C 2.023 179.070 176.870 0.296 0.000 1.073 1114 L CA 2.014 56.992 54.840 0.231 0.000 0.748 1114 L CB -0.807 41.265 42.059 0.021 0.000 0.891 1114 L HN 0.502 nan 8.230 nan 0.000 0.431 1115 F N -1.114 118.834 119.950 -0.003 0.000 2.293 1115 F HA -0.124 4.401 4.527 -0.004 0.000 0.297 1115 F C 2.279 178.044 175.800 -0.059 0.000 1.089 1115 F CA 0.796 58.763 58.000 -0.055 0.000 1.377 1115 F CB -0.311 38.623 39.000 -0.110 0.000 1.051 1115 F HN 0.313 nan 8.300 nan 0.000 0.511 1116 T N -4.262 110.373 114.554 0.135 0.000 3.040 1116 T HA -0.064 4.283 4.350 -0.004 0.000 0.252 1116 T C 1.631 176.307 174.700 -0.041 0.000 1.064 1116 T CA 0.601 62.720 62.100 0.032 0.000 1.110 1116 T CB -0.304 68.572 68.868 0.015 0.000 0.921 1116 T HN 0.328 nan 8.240 nan 0.000 0.480 1117 H N -0.943 118.013 119.070 -0.191 0.000 2.406 1117 H HA 0.155 4.709 4.556 -0.004 0.000 0.304 1117 H C 1.473 176.488 175.328 -0.522 0.000 1.042 1117 H CA 0.550 56.339 56.048 -0.432 0.000 1.360 1117 H CB 0.127 29.496 29.762 -0.654 0.000 1.448 1117 H HN 0.435 nan 8.280 nan 0.000 0.553 1118 W N 1.059 122.250 121.300 -0.181 0.000 2.526 1118 W HA 0.079 4.736 4.660 -0.004 0.000 0.294 1118 W C 2.570 178.750 176.519 -0.566 0.000 1.181 1118 W CA -0.136 56.964 57.345 -0.408 0.000 1.373 1118 W CB -0.166 29.210 29.460 -0.139 0.000 1.112 1118 W HN 0.032 nan 8.180 nan 0.000 0.545 1119 L N 0.434 121.657 121.223 0.000 0.000 2.012 1119 L HA -0.174 4.164 4.340 -0.004 0.000 0.210 1119 L C -0.495 176.318 176.870 -0.096 0.000 1.073 1119 L CA 1.704 56.552 54.840 0.013 0.000 0.748 1119 L CB -2.407 39.688 42.059 0.061 0.000 0.891 1119 L HN -0.075 nan 8.230 nan 0.000 0.431 1120 P HA -0.137 nan 4.420 nan 0.000 0.218 1120 P C 1.422 178.613 177.300 -0.183 0.000 1.149 1120 P CA 1.283 64.300 63.100 -0.138 0.000 0.817 1120 P CB -0.089 31.522 31.700 -0.148 0.000 0.785 1121 R N -1.595 118.692 120.500 -0.356 0.000 2.237 1121 R HA -0.001 4.337 4.340 -0.004 0.000 0.219 1121 R C 1.382 177.596 176.300 -0.143 0.000 1.080 1121 R CA 0.929 56.824 56.100 -0.341 0.000 0.995 1121 R CB -0.554 29.439 30.300 -0.510 0.000 0.875 1121 R HN 0.311 nan 8.270 nan 0.000 0.462 1122 F N -0.744 119.234 119.950 0.047 0.000 2.660 1122 F HA 0.267 4.792 4.527 -0.004 0.000 0.302 1122 F C 1.357 177.175 175.800 0.029 0.000 1.103 1122 F CA -0.122 57.908 58.000 0.050 0.000 1.340 1122 F CB 1.017 40.061 39.000 0.072 0.000 1.048 1122 F HN 0.132 nan 8.300 nan 0.000 0.551 1123 G N 1.563 110.443 108.800 0.134 0.000 2.141 1123 G HA2 -0.303 3.655 3.960 -0.004 0.000 0.242 1123 G HA3 -0.303 3.655 3.960 -0.004 0.000 0.242 1123 G C 0.014 174.954 174.900 0.066 0.000 0.982 1123 G CA -0.379 44.769 45.100 0.081 0.000 0.662 1123 G HN 0.322 nan 8.290 nan 0.000 0.527 1124 I N 1.370 121.980 120.570 0.068 0.000 2.342 1124 I HA 0.322 4.490 4.170 -0.004 0.000 0.291 1124 I C 0.487 176.608 176.117 0.007 0.000 1.010 1124 I CA -0.553 60.771 61.300 0.040 0.000 1.308 1124 I CB 1.043 39.070 38.000 0.045 0.000 1.400 1124 I HN 0.129 nan 8.210 nan 0.000 0.488 1125 E N 5.550 125.765 120.200 0.026 0.000 2.289 1125 E HA 0.440 4.788 4.350 -0.004 0.000 0.278 1125 E C -1.094 175.530 176.600 0.040 0.000 1.032 1125 E CA -0.487 55.949 56.400 0.059 0.000 0.854 1125 E CB 1.744 31.513 29.700 0.114 0.000 1.046 1125 E HN 0.259 nan 8.360 nan 0.000 0.409 1126 V N 3.474 123.390 119.914 0.003 0.000 2.638 1126 V HA 0.270 4.387 4.120 -0.004 0.000 0.306 1126 V C -0.676 175.404 176.094 -0.024 0.000 1.052 1126 V CA -0.923 61.316 62.300 -0.101 0.000 0.885 1126 V CB 2.020 33.767 31.823 -0.127 0.000 0.999 1126 V HN 0.668 nan 8.190 nan 0.000 0.424 1127 D N 4.145 124.511 120.400 -0.056 0.000 2.505 1127 D HA 0.532 5.170 4.640 -0.004 0.000 0.249 1127 D C -0.759 175.528 176.300 -0.022 0.000 1.082 1127 D CA -0.295 53.713 54.000 0.012 0.000 0.839 1127 D CB 2.833 43.694 40.800 0.101 0.000 1.317 1127 D HN 0.337 nan 8.370 nan 0.000 0.497 1128 L N 3.151 124.383 121.223 0.016 0.000 2.257 1128 L HA 0.440 4.778 4.340 -0.004 0.000 0.290 1128 L C -0.255 176.638 176.870 0.038 0.000 1.044 1128 L CA -0.575 54.288 54.840 0.038 0.000 0.810 1128 L CB 0.862 42.955 42.059 0.057 0.000 1.193 1128 L HN 0.138 nan 8.230 nan 0.000 0.425 1129 I N 1.973 122.568 120.570 0.042 0.000 2.785 1129 I HA 0.209 4.376 4.170 -0.004 0.000 0.302 1129 I C -0.205 175.941 176.117 0.048 0.000 1.069 1129 I CA -0.733 60.592 61.300 0.043 0.000 1.045 1129 I CB 2.153 40.179 38.000 0.042 0.000 1.236 1129 I HN 0.484 nan 8.210 nan 0.000 0.429 1130 D N 2.651 123.077 120.400 0.043 0.000 2.383 1130 D HA 0.052 4.690 4.640 -0.004 0.000 0.245 1130 D C 1.131 177.458 176.300 0.046 0.000 1.263 1130 D CA 0.055 54.080 54.000 0.041 0.000 0.936 1130 D CB 0.580 41.399 40.800 0.031 0.000 1.053 1130 D HN 0.620 nan 8.370 nan 0.000 0.507 1131 T N -0.378 114.207 114.554 0.051 0.000 3.148 1131 T HA -0.087 4.261 4.350 -0.004 0.000 0.253 1131 T C 1.673 176.400 174.700 0.045 0.000 1.134 1131 T CA 0.466 62.597 62.100 0.053 0.000 1.051 1131 T CB -0.301 68.601 68.868 0.057 0.000 0.959 1131 T HN 0.257 nan 8.240 nan 0.000 0.525 1132 S N 0.423 116.146 115.700 0.039 0.000 2.515 1132 S HA -0.001 4.467 4.470 -0.004 0.000 0.231 1132 S C 0.457 175.070 174.600 0.022 0.000 0.987 1132 S CA 0.062 58.280 58.200 0.030 0.000 0.936 1132 S CB -0.274 62.939 63.200 0.021 0.000 0.766 1132 S HN 0.497 nan 8.310 nan 0.000 0.528 1133 D N 0.927 121.343 120.400 0.027 0.000 2.454 1133 D HA 0.254 4.892 4.640 -0.004 0.000 0.247 1133 D C 0.751 177.072 176.300 0.035 0.000 1.129 1133 D CA -0.547 53.468 54.000 0.024 0.000 0.877 1133 D CB 1.633 42.445 40.800 0.020 0.000 1.082 1133 D HN -0.060 nan 8.370 nan 0.000 0.537 1134 V N 4.510 124.441 119.914 0.030 0.000 2.453 1134 V HA -0.195 3.923 4.120 -0.004 0.000 0.252 1134 V C 1.709 177.827 176.094 0.041 0.000 1.068 1134 V CA 1.853 64.174 62.300 0.036 0.000 1.070 1134 V CB -0.085 31.746 31.823 0.013 0.000 0.664 1134 V HN 0.486 nan 8.190 nan 0.000 0.461 1135 E N 0.110 120.327 120.200 0.028 0.000 2.153 1135 E HA -0.219 4.129 4.350 -0.004 0.000 0.194 1135 E C 2.217 178.846 176.600 0.049 0.000 0.988 1135 E CA 1.373 57.790 56.400 0.029 0.000 0.811 1135 E CB -0.266 29.445 29.700 0.017 0.000 0.746 1135 E HN 0.650 nan 8.360 nan 0.000 0.466 1136 K N 0.301 120.733 120.400 0.053 0.000 2.155 1136 K HA -0.019 4.299 4.320 -0.004 0.000 0.203 1136 K C 2.216 178.875 176.600 0.098 0.000 1.052 1136 K CA 0.644 56.969 56.287 0.064 0.000 0.948 1136 K CB 0.069 32.599 32.500 0.050 0.000 0.728 1136 K HN -0.060 nan 8.250 nan 0.000 0.448 1137 V N 1.920 121.904 119.914 0.116 0.000 2.295 1137 V HA -0.281 3.836 4.120 -0.004 0.000 0.246 1137 V C 2.002 178.279 176.094 0.305 0.000 1.049 1137 V CA 1.788 64.203 62.300 0.192 0.000 1.024 1137 V CB -0.394 31.549 31.823 0.200 0.000 0.648 1137 V HN 0.274 nan 8.190 nan 0.000 0.447 1138 K N 0.428 120.955 120.400 0.211 0.000 2.057 1138 K HA -0.121 4.197 4.320 -0.004 0.000 0.207 1138 K C 2.268 178.985 176.600 0.195 0.000 1.049 1138 K CA 1.537 57.930 56.287 0.177 0.000 0.931 1138 K CB -0.492 32.024 32.500 0.025 0.000 0.714 1138 K HN 0.473 nan 8.250 nan 0.000 0.440 1139 A N 1.068 123.969 122.820 0.135 0.000 2.019 1139 A HA -0.057 4.261 4.320 -0.004 0.000 0.219 1139 A C 2.177 179.839 177.584 0.129 0.000 1.164 1139 A CA 1.706 53.807 52.037 0.106 0.000 0.644 1139 A CB -0.479 18.562 19.000 0.069 0.000 0.805 1139 A HN 0.328 nan 8.150 nan 0.000 0.449 1140 A N -2.224 120.693 122.820 0.162 0.000 2.218 1140 A HA 0.138 4.456 4.320 -0.004 0.000 0.209 1140 A C 0.756 178.458 177.584 0.197 0.000 1.168 1140 A CA -0.428 51.698 52.037 0.148 0.000 0.804 1140 A CB -0.294 18.783 19.000 0.128 0.000 0.834 1140 A HN 0.650 nan 8.150 nan 0.000 0.482 1141 W N 1.906 123.247 121.300 0.069 0.000 2.216 1141 W HA 0.297 4.955 4.660 -0.004 0.000 0.326 1141 W C -0.373 176.162 176.519 0.028 0.000 1.319 1141 W CA 0.497 57.890 57.345 0.080 0.000 1.213 1141 W CB 0.500 29.987 29.460 0.046 0.000 1.171 1141 W HN 0.119 nan 8.180 nan 0.000 0.557 1142 K N 4.655 125.122 120.400 0.113 0.000 2.395 1142 K HA 0.279 4.596 4.320 -0.004 0.000 0.245 1142 K C -1.747 174.941 176.600 0.146 0.000 1.017 1142 K CA -1.613 54.700 56.287 0.044 0.000 0.852 1142 K CB 1.572 33.938 32.500 -0.222 0.000 1.311 1142 K HN 0.017 nan 8.250 nan 0.000 0.452 1143 P HA -0.172 nan 4.420 nan 0.000 0.218 1143 P C 0.382 177.739 177.300 0.094 0.000 1.148 1143 P CA 1.338 64.503 63.100 0.109 0.000 0.822 1143 P CB 0.069 31.805 31.700 0.060 0.000 0.784 1144 N N -1.948 116.780 118.700 0.046 0.000 2.268 1144 N HA 0.001 4.739 4.740 -0.004 0.000 0.204 1144 N C -0.426 175.114 175.510 0.051 0.000 1.124 1144 N CA 0.225 53.302 53.050 0.046 0.000 0.838 1144 N CB -1.066 37.437 38.487 0.026 0.000 0.994 1144 N HN -0.085 nan 8.380 nan 0.000 0.489 1145 T N 1.583 116.150 114.554 0.023 0.000 2.817 1145 T HA 0.121 4.468 4.350 -0.004 0.000 0.295 1145 T C 0.930 175.565 174.700 -0.109 0.000 0.958 1145 T CA -0.028 61.993 62.100 -0.131 0.000 1.157 1145 T CB 1.203 69.669 68.868 -0.669 0.000 0.898 1145 T HN 0.082 nan 8.240 nan 0.000 0.536 1146 K N 2.149 122.471 120.400 -0.129 0.000 2.425 1146 K HA 0.338 4.656 4.320 -0.004 0.000 0.201 1146 K C 0.177 176.723 176.600 -0.090 0.000 1.128 1146 K CA 0.162 56.417 56.287 -0.052 0.000 1.000 1146 K CB 0.746 33.238 32.500 -0.012 0.000 0.961 1146 K HN 0.612 nan 8.250 nan 0.000 0.555 1147 M N 0.642 120.125 119.600 -0.195 0.000 2.414 1147 M HA 0.269 4.747 4.480 -0.004 0.000 0.287 1147 M C -1.893 174.253 176.300 -0.257 0.000 1.181 1147 M CA -0.603 54.594 55.300 -0.172 0.000 0.933 1147 M CB 2.225 34.748 32.600 -0.127 0.000 1.732 1147 M HN -0.294 nan 8.290 nan 0.000 0.486 1148 V N 3.890 123.714 119.914 -0.150 0.000 2.495 1148 V HA 0.495 4.613 4.120 -0.004 0.000 0.298 1148 V C -1.608 174.487 176.094 0.002 0.000 1.031 1148 V CA -0.570 61.662 62.300 -0.113 0.000 0.871 1148 V CB 1.801 33.594 31.823 -0.050 0.000 0.988 1148 V HN 0.773 nan 8.190 nan 0.000 0.432 1149 Y N 5.621 125.871 120.300 -0.084 0.000 2.331 1149 Y HA 0.763 5.311 4.550 -0.004 0.000 0.334 1149 Y C -0.923 175.009 175.900 0.054 0.000 0.960 1149 Y CA -0.701 57.407 58.100 0.012 0.000 1.130 1149 Y CB 1.355 39.859 38.460 0.073 0.000 1.164 1149 Y HN 0.533 nan 8.280 nan 0.000 0.458 1150 L N 5.291 126.358 121.223 -0.260 0.000 2.354 1150 L HA 0.586 4.923 4.340 -0.004 0.000 0.269 1150 L C -0.860 175.873 176.870 -0.229 0.000 1.005 1150 L CA -0.982 53.789 54.840 -0.115 0.000 0.819 1150 L CB 2.425 44.436 42.059 -0.080 0.000 1.311 1150 L HN 0.555 nan 8.230 nan 0.000 0.423 1151 E N 1.118 121.288 120.200 -0.049 0.000 2.176 1151 E HA 0.538 4.886 4.350 -0.004 0.000 0.267 1151 E C -1.376 175.211 176.600 -0.022 0.000 0.893 1151 E CA -0.263 56.106 56.400 -0.051 0.000 0.761 1151 E CB 2.257 31.959 29.700 0.003 0.000 1.133 1151 E HN 0.432 nan 8.360 nan 0.000 0.409 1152 S N 3.856 119.549 115.700 -0.011 0.000 2.572 1152 S HA 0.467 4.935 4.470 -0.004 0.000 0.274 1152 S C -2.798 171.853 174.600 0.087 0.000 1.150 1152 S CA -1.483 56.740 58.200 0.039 0.000 0.944 1152 S CB 1.143 64.369 63.200 0.043 0.000 1.071 1152 S HN 0.191 nan 8.310 nan 0.000 0.479 1153 P HA 0.300 nan 4.420 nan 0.000 0.268 1153 P C -0.848 176.442 177.300 -0.017 0.000 1.205 1153 P CA -0.203 62.977 63.100 0.132 0.000 0.771 1153 P CB 0.423 32.252 31.700 0.215 0.000 0.858 1154 A N 2.635 125.429 122.820 -0.044 0.000 2.386 1154 A HA 0.215 4.533 4.320 -0.004 0.000 0.248 1154 A C 0.435 177.763 177.584 -0.426 0.000 1.082 1154 A CA -0.150 51.791 52.037 -0.161 0.000 0.789 1154 A CB -0.257 18.724 19.000 -0.031 0.000 1.025 1154 A HN 0.567 nan 8.150 nan 0.000 0.490 1155 N N 1.762 120.137 118.700 -0.542 0.000 2.414 1155 N HA 0.370 5.108 4.740 -0.004 0.000 0.256 1155 N C -2.156 173.290 175.510 -0.107 0.000 1.029 1155 N CA -2.084 50.619 53.050 -0.578 0.000 0.948 1155 N CB 1.454 39.680 38.487 -0.435 0.000 1.102 1155 N HN 0.304 nan 8.380 nan 0.000 0.496 1156 P HA 0.147 nan 4.420 nan 0.000 0.291 1156 P C 0.446 177.788 177.300 0.070 0.000 1.341 1156 P CA 0.211 63.325 63.100 0.022 0.000 0.999 1156 P CB 0.271 31.964 31.700 -0.011 0.000 1.501 1157 T N -4.270 110.294 114.554 0.017 0.000 3.113 1157 T HA 0.027 4.375 4.350 -0.004 0.000 0.256 1157 T C 1.051 175.870 174.700 0.198 0.000 1.131 1157 T CA 0.347 62.508 62.100 0.102 0.000 1.074 1157 T CB -1.518 67.399 68.868 0.082 0.000 0.944 1157 T HN 0.049 nan 8.240 nan 0.000 0.516 1158 C N 0.941 120.338 119.300 0.161 0.000 4.392 1158 C HA -0.139 4.319 4.460 -0.004 0.000 0.280 1158 C C 0.724 175.913 174.990 0.332 0.000 1.381 1158 C CA 0.278 59.400 59.018 0.173 0.000 1.871 1158 C CB -2.630 25.090 27.740 -0.033 0.000 1.323 1158 C HN 0.824 nan 8.230 nan 0.000 0.772 1159 K N 0.857 121.437 120.400 0.300 0.000 2.511 1159 K HA 0.269 4.587 4.320 -0.004 0.000 0.280 1159 K C 0.070 176.800 176.600 0.216 0.000 1.008 1159 K CA 0.285 56.735 56.287 0.271 0.000 1.050 1159 K CB 0.493 33.075 32.500 0.135 0.000 0.889 1159 K HN 0.318 nan 8.250 nan 0.000 0.484 1160 V N 3.976 124.026 119.914 0.226 0.000 2.465 1160 V HA 0.156 4.273 4.120 -0.004 0.000 0.279 1160 V C -0.150 176.002 176.094 0.097 0.000 1.045 1160 V CA -0.498 61.907 62.300 0.175 0.000 0.938 1160 V CB 1.553 33.504 31.823 0.212 0.000 0.986 1160 V HN 0.806 nan 8.190 nan 0.000 0.467 1161 S N 2.415 118.160 115.700 0.076 0.000 2.549 1161 S HA 0.304 4.771 4.470 -0.004 0.000 0.297 1161 S C -0.310 174.314 174.600 0.040 0.000 1.115 1161 S CA -0.534 57.696 58.200 0.050 0.000 1.059 1161 S CB 1.415 64.638 63.200 0.040 0.000 1.046 1161 S HN 0.870 nan 8.310 nan 0.000 0.506 1162 D N 1.840 122.257 120.400 0.029 0.000 2.435 1162 D HA 0.204 4.842 4.640 -0.004 0.000 0.230 1162 D C 0.866 177.171 176.300 0.007 0.000 1.215 1162 D CA -0.185 53.825 54.000 0.018 0.000 0.947 1162 D CB -0.246 40.561 40.800 0.012 0.000 1.048 1162 D HN 0.423 nan 8.370 nan 0.000 0.512 1163 I N 2.705 123.279 120.570 0.005 0.000 2.179 1163 I HA -0.229 3.938 4.170 -0.004 0.000 0.242 1163 I C 2.387 178.490 176.117 -0.024 0.000 1.088 1163 I CA 0.826 62.121 61.300 -0.008 0.000 1.357 1163 I CB -0.030 37.966 38.000 -0.006 0.000 1.051 1163 I HN 0.319 nan 8.210 nan 0.000 0.409 1164 K N 0.905 121.295 120.400 -0.017 0.000 2.032 1164 K HA -0.155 4.162 4.320 -0.004 0.000 0.209 1164 K C 2.123 178.695 176.600 -0.047 0.000 1.048 1164 K CA 1.708 57.980 56.287 -0.025 0.000 0.927 1164 K CB -0.462 32.033 32.500 -0.008 0.000 0.712 1164 K HN 0.386 nan 8.250 nan 0.000 0.441 1165 G N 0.819 109.599 108.800 -0.034 0.000 2.418 1165 G HA2 -0.214 3.744 3.960 -0.004 0.000 0.217 1165 G HA3 -0.214 3.744 3.960 -0.004 0.000 0.217 1165 G C 1.486 176.351 174.900 -0.058 0.000 1.158 1165 G CA 0.861 45.936 45.100 -0.041 0.000 0.771 1165 G HN 0.248 nan 8.290 nan 0.000 0.545 1166 I N 1.310 121.857 120.570 -0.038 0.000 2.315 1166 I HA -0.132 4.035 4.170 -0.004 0.000 0.248 1166 I C 3.288 179.353 176.117 -0.086 0.000 1.117 1166 I CA 0.773 62.062 61.300 -0.018 0.000 1.404 1166 I CB -0.192 37.824 38.000 0.026 0.000 1.071 1166 I HN 0.241 nan 8.210 nan 0.000 0.419 1167 A N 0.625 123.348 122.820 -0.163 0.000 1.917 1167 A HA -0.200 4.118 4.320 -0.004 0.000 0.219 1167 A C 2.440 179.614 177.584 -0.684 0.000 1.182 1167 A CA 2.008 53.794 52.037 -0.418 0.000 0.633 1167 A CB -1.061 17.730 19.000 -0.348 0.000 0.819 1167 A HN 0.251 nan 8.150 nan 0.000 0.448 1168 V N -0.298 119.404 119.914 -0.353 0.000 2.282 1168 V HA -0.284 3.833 4.120 -0.004 0.000 0.249 1168 V C 2.598 178.567 176.094 -0.208 0.000 1.057 1168 V CA 2.204 64.370 62.300 -0.224 0.000 1.032 1168 V CB -0.901 30.859 31.823 -0.105 0.000 0.645 1168 V HN 0.412 nan 8.190 nan 0.000 0.447 1169 V N -1.131 118.650 119.914 -0.222 0.000 2.343 1169 V HA -0.301 3.817 4.120 -0.004 0.000 0.247 1169 V C 2.527 178.435 176.094 -0.310 0.000 1.051 1169 V CA 2.200 64.298 62.300 -0.337 0.000 1.036 1169 V CB -0.955 30.611 31.823 -0.428 0.000 0.654 1169 V HN 0.647 nan 8.190 nan 0.000 0.451 1170 C N -0.236 119.016 119.300 -0.079 0.000 2.413 1170 C HA -0.190 4.268 4.460 -0.004 0.000 0.277 1170 C C 2.564 177.641 174.990 0.145 0.000 1.265 1170 C CA 1.309 60.432 59.018 0.174 0.000 1.752 1170 C CB -1.423 26.401 27.740 0.140 0.000 1.998 1170 C HN 0.665 nan 8.230 nan 0.000 0.489 1171 H N -0.050 119.029 119.070 0.015 0.000 2.395 1171 H HA -0.082 4.472 4.556 -0.004 0.000 0.299 1171 H C 2.176 177.491 175.328 -0.020 0.000 1.070 1171 H CA 1.024 57.072 56.048 -0.000 0.000 1.356 1171 H CB -0.039 29.715 29.762 -0.012 0.000 1.401 1171 H HN 0.589 nan 8.280 nan 0.000 0.524 1172 E N 0.684 120.916 120.200 0.054 0.000 2.204 1172 E HA -0.078 4.269 4.350 -0.004 0.000 0.194 1172 E C 1.435 178.015 176.600 -0.033 0.000 0.989 1172 E CA 0.590 56.978 56.400 -0.020 0.000 0.824 1172 E CB 0.222 29.867 29.700 -0.092 0.000 0.756 1172 E HN 0.412 nan 8.360 nan 0.000 0.477 1173 R N -0.897 119.588 120.500 -0.025 0.000 2.508 1173 R HA 0.166 4.504 4.340 -0.004 0.000 0.300 1173 R C 0.552 176.952 176.300 0.167 0.000 0.970 1173 R CA 0.406 56.520 56.100 0.024 0.000 1.102 1173 R CB 1.306 31.520 30.300 -0.142 0.000 1.246 1173 R HN 0.142 nan 8.270 nan 0.000 0.539 1174 G N 1.211 110.100 108.800 0.148 0.000 2.182 1174 G HA2 -0.275 3.683 3.960 -0.004 0.000 0.248 1174 G HA3 -0.275 3.683 3.960 -0.004 0.000 0.248 1174 G C -0.082 174.915 174.900 0.162 0.000 1.042 1174 G CA 0.198 45.379 45.100 0.135 0.000 0.775 1174 G HN 0.460 nan 8.290 nan 0.000 0.501 1175 A N -0.289 122.668 122.820 0.227 0.000 2.337 1175 A HA 0.869 5.187 4.320 -0.004 0.000 0.329 1175 A C 0.521 178.166 177.584 0.102 0.000 1.146 1175 A CA -0.630 51.510 52.037 0.171 0.000 0.800 1175 A CB 0.895 20.058 19.000 0.271 0.000 1.220 1175 A HN 0.446 nan 8.150 nan 0.000 0.472 1176 R N 0.361 120.859 120.500 -0.003 0.000 2.438 1176 R HA 0.314 4.651 4.340 -0.004 0.000 0.287 1176 R C -0.939 175.348 176.300 -0.022 0.000 1.077 1176 R CA -0.427 55.641 56.100 -0.053 0.000 1.034 1176 R CB 0.730 30.903 30.300 -0.211 0.000 0.993 1176 R HN 0.549 nan 8.270 nan 0.000 0.459 1177 L N 4.351 125.575 121.223 0.002 0.000 2.265 1177 L HA 0.324 4.662 4.340 -0.004 0.000 0.289 1177 L C -1.081 175.765 176.870 -0.041 0.000 1.033 1177 L CA -0.342 54.494 54.840 -0.008 0.000 0.814 1177 L CB 1.652 43.715 42.059 0.006 0.000 1.203 1177 L HN 0.263 nan 8.230 nan 0.000 0.423 1178 V N 5.926 125.801 119.914 -0.064 0.000 2.459 1178 V HA 0.591 4.709 4.120 -0.004 0.000 0.295 1178 V C -0.415 175.507 176.094 -0.286 0.000 1.029 1178 V CA -0.652 61.585 62.300 -0.106 0.000 0.874 1178 V CB 1.781 33.619 31.823 0.025 0.000 0.985 1178 V HN 0.513 nan 8.190 nan 0.000 0.438 1179 V N 3.282 123.038 119.914 -0.264 0.000 2.483 1179 V HA 0.384 4.502 4.120 -0.004 0.000 0.297 1179 V C -0.562 175.340 176.094 -0.320 0.000 1.027 1179 V CA -0.610 61.504 62.300 -0.309 0.000 0.855 1179 V CB 2.003 33.728 31.823 -0.163 0.000 0.995 1179 V HN 0.896 nan 8.190 nan 0.000 0.424 1180 D N 4.204 124.375 120.400 -0.383 0.000 2.365 1180 D HA 0.430 5.068 4.640 -0.004 0.000 0.237 1180 D C 0.563 176.753 176.300 -0.183 0.000 1.190 1180 D CA -0.124 53.730 54.000 -0.244 0.000 0.867 1180 D CB 1.821 42.548 40.800 -0.121 0.000 1.050 1180 D HN 0.650 nan 8.370 nan 0.000 0.491 1181 A N 3.228 125.879 122.820 -0.282 0.000 2.460 1181 A HA 0.110 4.427 4.320 -0.004 0.000 0.258 1181 A C 1.849 179.490 177.584 0.096 0.000 1.300 1181 A CA -0.180 51.785 52.037 -0.119 0.000 0.913 1181 A CB -0.096 18.840 19.000 -0.106 0.000 1.031 1181 A HN 0.566 nan 8.150 nan 0.000 0.512 1182 T N -0.105 114.519 114.554 0.118 0.000 2.649 1182 T HA -0.228 4.120 4.350 -0.004 0.000 0.268 1182 T C 1.328 176.314 174.700 0.477 0.000 1.036 1182 T CA 1.973 64.284 62.100 0.352 0.000 1.157 1182 T CB -0.426 68.576 68.868 0.223 0.000 0.861 1182 T HN 0.470 nan 8.240 nan 0.000 0.445 1183 F N 1.224 121.291 119.950 0.196 0.000 2.451 1183 F HA 0.020 4.544 4.527 -0.004 0.000 0.299 1183 F C 2.362 178.269 175.800 0.179 0.000 1.101 1183 F CA 0.659 58.801 58.000 0.237 0.000 1.436 1183 F CB -0.328 38.767 39.000 0.158 0.000 1.074 1183 F HN 0.157 nan 8.300 nan 0.000 0.553 1184 T N -1.968 112.737 114.554 0.253 0.000 2.987 1184 T HA 0.175 4.523 4.350 -0.004 0.000 0.248 1184 T C 0.259 174.959 174.700 0.001 0.000 0.997 1184 T CA 0.723 62.893 62.100 0.116 0.000 1.013 1184 T CB -0.038 68.943 68.868 0.187 0.000 1.077 1184 T HN 0.217 nan 8.240 nan 0.000 0.483 1185 S N 1.295 117.050 115.700 0.090 0.000 3.273 1185 S HA -0.061 4.406 4.470 -0.004 0.000 0.842 1185 S C -2.724 171.875 174.600 -0.001 0.000 1.077 1185 S CA -0.159 58.037 58.200 -0.006 0.000 1.159 1185 S CB -1.197 61.863 63.200 -0.233 0.000 0.798 1185 S HN 0.151 nan 8.310 nan 0.000 0.271 1186 P HA 0.128 nan 4.420 nan 0.000 0.234 1186 P C 1.505 178.728 177.300 -0.129 0.000 1.167 1186 P CA 1.100 64.171 63.100 -0.048 0.000 0.763 1186 P CB -0.602 31.025 31.700 -0.121 0.000 0.835 1187 C N -1.616 117.508 119.300 -0.294 0.000 2.435 1187 C HA -0.003 4.455 4.460 -0.004 0.000 0.279 1187 C C 2.348 177.122 174.990 -0.360 0.000 1.321 1187 C CA 0.737 59.482 59.018 -0.456 0.000 1.752 1187 C CB -1.956 25.256 27.740 -0.879 0.000 1.959 1187 C HN 0.204 nan 8.230 nan 0.000 0.500 1188 F N -1.465 118.452 119.950 -0.054 0.000 2.727 1188 F HA 0.373 4.898 4.527 -0.004 0.000 0.302 1188 F C 0.318 176.081 175.800 -0.060 0.000 1.107 1188 F CA -0.385 57.566 58.000 -0.080 0.000 1.277 1188 F CB 0.424 39.348 39.000 -0.127 0.000 1.079 1188 F HN -0.005 nan 8.300 nan 0.000 0.594 1189 L N 1.291 122.596 121.223 0.138 0.000 2.439 1189 L HA 0.434 4.771 4.340 -0.004 0.000 0.270 1189 L C -1.114 175.806 176.870 0.083 0.000 0.972 1189 L CA -0.683 54.216 54.840 0.099 0.000 0.836 1189 L CB 1.522 43.645 42.059 0.107 0.000 1.255 1189 L HN -0.090 nan 8.230 nan 0.000 0.404 1190 K N 6.465 126.899 120.400 0.057 0.000 2.540 1190 K HA 0.403 4.721 4.320 -0.004 0.000 0.218 1190 K C -2.113 174.508 176.600 0.035 0.000 1.017 1190 K CA -1.447 54.869 56.287 0.049 0.000 1.029 1190 K CB 1.447 33.968 32.500 0.034 0.000 1.348 1190 K HN 0.346 nan 8.250 nan 0.000 0.508 1191 P HA -0.144 nan 4.420 nan 0.000 0.218 1191 P C 0.821 178.132 177.300 0.019 0.000 1.149 1191 P CA 0.988 64.094 63.100 0.010 0.000 0.817 1191 P CB 0.235 31.923 31.700 -0.021 0.000 0.785 1192 L N -0.589 120.648 121.223 0.023 0.000 2.265 1192 L HA -0.139 4.199 4.340 -0.004 0.000 0.215 1192 L C 1.969 178.855 176.870 0.028 0.000 1.117 1192 L CA 1.376 56.231 54.840 0.026 0.000 0.782 1192 L CB -0.926 41.146 42.059 0.022 0.000 0.914 1192 L HN 0.083 nan 8.230 nan 0.000 0.441 1193 E N 0.154 120.369 120.200 0.026 0.000 2.435 1193 E HA -0.019 4.329 4.350 -0.004 0.000 0.195 1193 E C 1.846 178.464 176.600 0.030 0.000 1.029 1193 E CA 0.404 56.819 56.400 0.024 0.000 0.865 1193 E CB 0.194 29.905 29.700 0.019 0.000 0.833 1193 E HN 0.524 nan 8.360 nan 0.000 0.510 1194 L N -0.763 120.480 121.223 0.033 0.000 2.607 1194 L HA 0.256 4.594 4.340 -0.004 0.000 0.228 1194 L C 1.311 178.213 176.870 0.054 0.000 1.123 1194 L CA 0.320 55.179 54.840 0.032 0.000 0.890 1194 L CB 0.522 42.592 42.059 0.018 0.000 1.103 1194 L HN 0.248 nan 8.230 nan 0.000 0.468 1195 G N -0.217 108.639 108.800 0.093 0.000 2.184 1195 G HA2 -0.201 3.757 3.960 -0.004 0.000 0.206 1195 G HA3 -0.201 3.757 3.960 -0.004 0.000 0.206 1195 G C 0.413 175.439 174.900 0.209 0.000 0.995 1195 G CA -0.166 45.060 45.100 0.210 0.000 0.651 1195 G HN 0.410 nan 8.290 nan 0.000 0.511 1196 A N 0.258 123.130 122.820 0.088 0.000 2.406 1196 A HA 0.553 4.871 4.320 -0.004 0.000 0.243 1196 A C 1.117 178.737 177.584 0.061 0.000 1.082 1196 A CA 0.875 52.945 52.037 0.055 0.000 0.786 1196 A CB 0.317 19.316 19.000 -0.001 0.000 1.029 1196 A HN 0.187 nan 8.150 nan 0.000 0.495 1197 D N -0.059 120.360 120.400 0.031 0.000 2.301 1197 D HA 0.171 4.808 4.640 -0.004 0.000 0.206 1197 D C -0.003 176.287 176.300 -0.016 0.000 0.979 1197 D CA 1.258 55.255 54.000 -0.005 0.000 0.874 1197 D CB 0.270 41.041 40.800 -0.048 0.000 0.968 1197 D HN 0.491 nan 8.370 nan 0.000 0.510 1198 I N 0.286 120.847 120.570 -0.016 0.000 2.619 1198 I HA 0.412 4.580 4.170 -0.004 0.000 0.292 1198 I C -1.098 175.011 176.117 -0.013 0.000 1.100 1198 I CA -0.875 60.431 61.300 0.009 0.000 1.043 1198 I CB 2.570 40.588 38.000 0.029 0.000 1.239 1198 I HN -0.247 nan 8.210 nan 0.000 0.420 1199 A N 6.594 129.416 122.820 0.003 0.000 2.343 1199 A HA 0.910 5.228 4.320 -0.004 0.000 0.308 1199 A C -1.053 176.507 177.584 -0.040 0.000 1.092 1199 A CA -0.429 51.582 52.037 -0.044 0.000 0.751 1199 A CB 1.112 20.114 19.000 0.003 0.000 1.203 1199 A HN 0.610 nan 8.150 nan 0.000 0.452 1200 L N -0.235 120.890 121.223 -0.164 0.000 2.303 1200 L HA 0.853 5.191 4.340 -0.004 0.000 0.256 1200 L C -0.581 176.077 176.870 -0.353 0.000 1.034 1200 L CA -0.548 54.236 54.840 -0.094 0.000 0.832 1200 L CB 1.631 43.696 42.059 0.011 0.000 1.403 1200 L HN 0.638 nan 8.230 nan 0.000 0.419 1201 H N -0.637 118.491 119.070 0.097 0.000 2.974 1201 H HA 0.309 4.863 4.556 -0.004 0.000 0.366 1201 H C -1.193 174.193 175.328 0.097 0.000 1.155 1201 H CA -0.737 55.371 56.048 0.100 0.000 1.186 1201 H CB 2.299 32.134 29.762 0.122 0.000 1.799 1201 H HN 0.801 nan 8.280 nan 0.000 0.541 1202 S N 1.839 117.644 115.700 0.175 0.000 2.429 1202 S HA 0.073 4.541 4.470 -0.004 0.000 0.292 1202 S C 1.263 175.959 174.600 0.160 0.000 1.183 1202 S CA -0.546 57.723 58.200 0.114 0.000 1.088 1202 S CB -0.132 63.065 63.200 -0.006 0.000 1.018 1202 S HN 0.419 nan 8.310 nan 0.000 0.511 1203 V N 4.983 124.999 119.914 0.170 0.000 2.913 1203 V HA -0.060 4.058 4.120 -0.004 0.000 0.260 1203 V C 1.577 177.713 176.094 0.069 0.000 1.098 1203 V CA 0.931 63.322 62.300 0.151 0.000 1.121 1203 V CB -1.051 30.878 31.823 0.177 0.000 0.714 1203 V HN 0.842 nan 8.190 nan 0.000 0.487 1207 I N 1.105 121.771 120.570 0.160 0.000 2.127 1207 I HA -0.347 3.820 4.170 -0.004 0.000 0.241 1207 I C 2.178 178.373 176.117 0.128 0.000 1.075 1207 I CA 2.553 63.920 61.300 0.112 0.000 1.334 1207 I CB -0.223 37.833 38.000 0.094 0.000 1.040 1207 I HN 0.331 nan 8.210 nan 0.000 0.405 1208 N N 0.465 119.226 118.700 0.101 0.000 2.135 1208 N HA -0.100 4.638 4.740 -0.004 0.000 0.186 1208 N C 1.488 177.116 175.510 0.196 0.000 1.027 1208 N CA 1.873 54.974 53.050 0.085 0.000 0.849 1208 N CB -0.045 38.453 38.487 0.019 0.000 1.002 1208 N HN 0.390 nan 8.380 nan 0.000 0.425 1209 G N -1.403 107.473 108.800 0.126 0.000 2.212 1209 G HA2 -0.313 3.644 3.960 -0.004 0.000 0.266 1209 G HA3 -0.313 3.644 3.960 -0.004 0.000 0.266 1209 G C 0.469 175.341 174.900 -0.046 0.000 0.978 1209 G CA 1.030 46.174 45.100 0.073 0.000 0.632 1209 G HN 0.613 nan 8.290 nan 0.000 0.537 1210 H N -0.459 118.610 119.070 -0.002 0.000 2.672 1210 H HA 0.450 5.004 4.556 -0.004 0.000 0.277 1210 H C 1.897 177.220 175.328 -0.010 0.000 1.074 1210 H CA 0.590 56.638 56.048 -0.001 0.000 1.173 1210 H CB 0.533 30.292 29.762 -0.006 0.000 1.558 1210 H HN 1.170 nan 8.280 nan 0.000 0.539 1211 G N 1.812 110.643 108.800 0.053 0.000 2.203 1211 G HA2 -0.330 3.628 3.960 -0.004 0.000 0.263 1211 G HA3 -0.330 3.628 3.960 -0.004 0.000 0.263 1211 G C 0.423 175.342 174.900 0.032 0.000 1.012 1211 G CA 0.920 46.031 45.100 0.018 0.000 0.749 1211 G HN 0.613 nan 8.290 nan 0.000 0.512 1212 D N -1.693 118.733 120.400 0.045 0.000 2.527 1212 D HA 0.383 5.021 4.640 -0.004 0.000 0.224 1212 D C 0.602 176.912 176.300 0.016 0.000 1.217 1212 D CA 0.388 54.408 54.000 0.032 0.000 0.819 1212 D CB 0.381 41.206 40.800 0.042 0.000 1.061 1212 D HN 1.155 nan 8.370 nan 0.000 0.515 1213 V N -0.576 119.342 119.914 0.007 0.000 2.925 1213 V HA 0.563 4.681 4.120 -0.004 0.000 0.311 1213 V C -1.703 174.388 176.094 -0.004 0.000 1.104 1213 V CA -1.045 61.250 62.300 -0.007 0.000 0.954 1213 V CB 2.450 34.252 31.823 -0.035 0.000 1.022 1213 V HN -0.029 nan 8.190 nan 0.000 0.427 1214 I N 4.689 125.260 120.570 0.002 0.000 2.354 1214 I HA 0.894 5.062 4.170 -0.004 0.000 0.292 1214 I C 0.656 176.784 176.117 0.018 0.000 0.989 1214 I CA 0.238 61.545 61.300 0.013 0.000 1.188 1214 I CB 0.775 38.789 38.000 0.023 0.000 1.342 1214 I HN 1.063 nan 8.210 nan 0.000 0.457 1215 G N 3.375 112.196 108.800 0.034 0.000 2.601 1215 G HA2 0.672 4.630 3.960 -0.004 0.000 0.291 1215 G HA3 0.672 4.630 3.960 -0.004 0.000 0.291 1215 G C -1.285 173.694 174.900 0.130 0.000 1.456 1215 G CA -0.562 44.578 45.100 0.066 0.000 0.804 1215 G HN 0.822 nan 8.290 nan 0.000 0.499 1216 G N -1.778 107.161 108.800 0.232 0.000 2.574 1216 G HA2 0.819 4.777 3.960 -0.004 0.000 0.299 1216 G HA3 0.819 4.777 3.960 -0.004 0.000 0.299 1216 G C -1.661 173.521 174.900 0.471 0.000 1.298 1216 G CA -0.637 44.641 45.100 0.297 0.000 0.952 1216 G HN 1.539 nan 8.290 nan 0.000 0.477 1217 V N -0.306 119.876 119.914 0.448 0.000 2.932 1217 V HA 0.831 4.948 4.120 -0.004 0.000 0.307 1217 V C -0.879 175.457 176.094 0.404 0.000 1.147 1217 V CA -0.534 62.054 62.300 0.480 0.000 0.951 1217 V CB 2.243 34.288 31.823 0.370 0.000 1.031 1217 V HN 1.067 nan 8.190 nan 0.000 0.426 1218 S N 3.775 119.746 115.700 0.451 0.000 2.538 1218 S HA 0.838 5.305 4.470 -0.004 0.000 0.288 1218 S C -0.893 173.848 174.600 0.235 0.000 1.108 1218 S CA -0.346 58.040 58.200 0.311 0.000 0.971 1218 S CB 1.876 65.273 63.200 0.330 0.000 1.041 1218 S HN 0.912 nan 8.310 nan 0.000 0.483 1219 S N 2.344 118.140 115.700 0.160 0.000 2.532 1219 S HA 0.837 5.305 4.470 -0.004 0.000 0.299 1219 S C -0.727 173.929 174.600 0.093 0.000 1.105 1219 S CA -0.621 57.646 58.200 0.111 0.000 1.018 1219 S CB 1.623 64.872 63.200 0.082 0.000 1.021 1219 S HN 1.024 nan 8.310 nan 0.000 0.483 1220 A N 1.817 124.688 122.820 0.086 0.000 2.355 1220 A HA 0.603 4.921 4.320 -0.004 0.000 0.324 1220 A C 0.821 178.430 177.584 0.042 0.000 1.117 1220 A CA -0.745 51.335 52.037 0.072 0.000 0.785 1220 A CB 0.996 20.061 19.000 0.108 0.000 1.254 1220 A HN 0.864 nan 8.150 nan 0.000 0.453 1221 K N 0.342 120.755 120.400 0.022 0.000 2.280 1221 K HA -0.040 4.278 4.320 -0.004 0.000 0.202 1221 K C 0.062 176.666 176.600 0.007 0.000 1.047 1221 K CA 1.455 57.747 56.287 0.008 0.000 0.942 1221 K CB 0.033 32.529 32.500 -0.006 0.000 0.739 1221 K HN 0.645 nan 8.250 nan 0.000 0.457 1222 T N -1.140 113.425 114.554 0.019 0.000 2.876 1222 T HA 0.425 4.773 4.350 -0.004 0.000 0.289 1222 T C 0.322 175.045 174.700 0.039 0.000 1.014 1222 T CA -0.281 61.831 62.100 0.019 0.000 0.986 1222 T CB 1.827 70.703 68.868 0.013 0.000 1.021 1222 T HN 0.153 nan 8.240 nan 0.000 0.458 1223 A N 2.201 125.038 122.820 0.028 0.000 1.940 1223 A HA -0.088 4.230 4.320 -0.004 0.000 0.219 1223 A C 1.993 179.609 177.584 0.053 0.000 1.176 1223 A CA 2.073 54.130 52.037 0.032 0.000 0.631 1223 A CB -0.553 18.455 19.000 0.014 0.000 0.814 1223 A HN 0.941 nan 8.150 nan 0.000 0.446 1224 E N -0.362 119.871 120.200 0.055 0.000 2.077 1224 E HA -0.242 4.106 4.350 -0.004 0.000 0.193 1224 E C 1.230 177.916 176.600 0.143 0.000 0.989 1224 E CA 1.439 57.885 56.400 0.077 0.000 0.800 1224 E CB -0.105 29.635 29.700 0.066 0.000 0.746 1224 E HN 0.535 nan 8.360 nan 0.000 0.452 1225 D N 0.221 120.719 120.400 0.163 0.000 2.149 1225 D HA -0.122 4.516 4.640 -0.004 0.000 0.201 1225 D C 1.844 178.325 176.300 0.303 0.000 0.972 1225 D CA 0.539 54.717 54.000 0.297 0.000 0.835 1225 D CB -0.128 40.776 40.800 0.173 0.000 0.966 1225 D HN 0.220 nan 8.370 nan 0.000 0.476 1226 I N 0.840 121.522 120.570 0.186 0.000 2.315 1226 I HA -0.125 4.043 4.170 -0.004 0.000 0.248 1226 I C 2.016 178.223 176.117 0.150 0.000 1.117 1226 I CA 0.752 62.152 61.300 0.168 0.000 1.404 1226 I CB -0.343 37.723 38.000 0.110 0.000 1.071 1226 I HN -0.083 nan 8.210 nan 0.000 0.419 1227 A N -0.806 122.087 122.820 0.121 0.000 1.908 1227 A HA -0.220 4.098 4.320 -0.004 0.000 0.218 1227 A C 2.350 180.024 177.584 0.151 0.000 1.181 1227 A CA 2.486 54.584 52.037 0.102 0.000 0.627 1227 A CB -1.358 17.674 19.000 0.052 0.000 0.818 1227 A HN 0.452 nan 8.150 nan 0.000 0.445 1228 T N 0.200 114.853 114.554 0.164 0.000 2.777 1228 T HA -0.069 4.279 4.350 -0.004 0.000 0.266 1228 T C 1.793 176.566 174.700 0.121 0.000 1.040 1228 T CA 1.416 63.612 62.100 0.159 0.000 1.141 1228 T CB -0.405 68.511 68.868 0.080 0.000 0.868 1228 T HN 0.418 nan 8.240 nan 0.000 0.444 1229 I N 0.881 121.518 120.570 0.113 0.000 2.151 1229 I HA -0.244 3.924 4.170 -0.004 0.000 0.243 1229 I C 2.523 178.794 176.117 0.258 0.000 1.080 1229 I CA 1.525 62.924 61.300 0.164 0.000 1.339 1229 I CB -0.271 37.894 38.000 0.276 0.000 1.039 1229 I HN 0.200 nan 8.210 nan 0.000 0.409 1230 K N -0.185 120.342 120.400 0.213 0.000 2.148 1230 K HA -0.191 4.127 4.320 -0.004 0.000 0.204 1230 K C 2.118 178.849 176.600 0.219 0.000 1.050 1230 K CA 1.310 57.698 56.287 0.169 0.000 0.942 1230 K CB -0.298 32.264 32.500 0.104 0.000 0.724 1230 K HN 0.156 nan 8.250 nan 0.000 0.446 1231 F N 1.052 121.047 119.950 0.076 0.000 2.095 1231 F HA -0.267 4.258 4.527 -0.004 0.000 0.298 1231 F C 2.163 178.012 175.800 0.082 0.000 1.104 1231 F CA 1.259 59.296 58.000 0.061 0.000 1.232 1231 F CB -0.769 38.256 39.000 0.043 0.000 0.987 1231 F HN 0.027 nan 8.300 nan 0.000 0.475 1232 Y N 0.951 121.185 120.300 -0.109 0.000 2.145 1232 Y HA -0.235 4.313 4.550 -0.004 0.000 0.286 1232 Y C 2.909 178.760 175.900 -0.082 0.000 1.145 1232 Y CA 2.384 60.360 58.100 -0.207 0.000 1.148 1232 Y CB -0.582 37.792 38.460 -0.143 0.000 0.981 1232 Y HN 0.060 nan 8.280 nan 0.000 0.507 1233 R N 0.978 121.622 120.500 0.241 0.000 2.103 1233 R HA -0.257 4.081 4.340 -0.004 0.000 0.242 1233 R C 2.446 178.760 176.300 0.023 0.000 1.142 1233 R CA 2.108 58.328 56.100 0.199 0.000 0.960 1233 R CB -0.379 30.043 30.300 0.203 0.000 0.858 1233 R HN 0.398 nan 8.270 nan 0.000 0.439 1234 K N -0.170 120.232 120.400 0.005 0.000 2.103 1234 K HA -0.176 4.142 4.320 -0.004 0.000 0.207 1234 K C 0.754 177.312 176.600 -0.069 0.000 1.048 1234 K CA 2.140 58.431 56.287 0.006 0.000 0.930 1234 K CB 0.060 32.601 32.500 0.070 0.000 0.716 1234 K HN 0.207 nan 8.250 nan 0.000 0.444 1235 D N -0.479 119.793 120.400 -0.213 0.000 2.324 1235 D HA 0.057 4.695 4.640 -0.004 0.000 0.212 1235 D C 1.577 177.698 176.300 -0.299 0.000 0.984 1235 D CA 0.933 54.771 54.000 -0.269 0.000 0.885 1235 D CB 0.231 40.790 40.800 -0.401 0.000 0.996 1235 D HN 0.329 nan 8.370 nan 0.000 0.505 1236 A N 0.130 122.710 122.820 -0.399 0.000 2.021 1236 A HA 0.385 4.703 4.320 -0.004 0.000 0.216 1236 A C 1.820 179.337 177.584 -0.111 0.000 1.163 1236 A CA 1.318 53.154 52.037 -0.335 0.000 0.676 1236 A CB -0.280 18.408 19.000 -0.521 0.000 0.818 1236 A HN 0.242 nan 8.150 nan 0.000 0.453 1237 G N -0.725 108.050 108.800 -0.043 0.000 2.137 1237 G HA2 -0.210 3.747 3.960 -0.004 0.000 0.237 1237 G HA3 -0.210 3.747 3.960 -0.004 0.000 0.237 1237 G C 0.359 175.297 174.900 0.063 0.000 1.002 1237 G CA 0.601 45.710 45.100 0.015 0.000 0.702 1237 G HN 1.113 nan 8.290 nan 0.000 0.515 1238 S N 0.374 116.155 115.700 0.135 0.000 2.485 1238 S HA 0.651 5.119 4.470 -0.004 0.000 0.312 1238 S C 0.534 175.250 174.600 0.194 0.000 1.102 1238 S CA -0.544 57.775 58.200 0.197 0.000 1.066 1238 S CB -0.132 63.242 63.200 0.290 0.000 1.102 1238 S HN 0.441 nan 8.310 nan 0.000 0.519 1239 L N 4.833 126.114 121.223 0.098 0.000 2.334 1239 L HA 0.545 4.883 4.340 -0.004 0.000 0.276 1239 L C 0.234 177.126 176.870 0.037 0.000 1.014 1239 L CA -0.686 54.173 54.840 0.032 0.000 0.815 1239 L CB 1.861 43.928 42.059 0.013 0.000 1.268 1239 L HN 0.548 nan 8.230 nan 0.000 0.428 1240 M N 2.837 122.442 119.600 0.010 0.000 2.146 1240 M HA 0.403 4.880 4.480 -0.004 0.000 0.352 1240 M C 0.199 176.501 176.300 0.003 0.000 1.343 1240 M CA -0.189 55.118 55.300 0.011 0.000 1.115 1240 M CB 1.050 33.651 32.600 0.002 0.000 1.657 1240 M HN 0.750 nan 8.290 nan 0.000 0.471 1241 A N 7.116 129.938 122.820 0.002 0.000 2.445 1241 A HA 0.353 4.671 4.320 -0.004 0.000 0.242 1241 A C -2.025 175.569 177.584 0.016 0.000 1.075 1241 A CA -1.282 50.757 52.037 0.003 0.000 0.777 1241 A CB -0.395 18.605 19.000 0.001 0.000 1.013 1241 A HN 0.750 nan 8.150 nan 0.000 0.493 1242 P HA -0.201 nan 4.420 nan 0.000 0.216 1242 P C 1.605 178.954 177.300 0.082 0.000 1.153 1242 P CA 1.720 64.863 63.100 0.071 0.000 0.858 1242 P CB -0.067 31.675 31.700 0.070 0.000 0.789 1243 M N -0.233 119.392 119.600 0.042 0.000 2.159 1243 M HA -0.128 4.350 4.480 -0.004 0.000 0.263 1243 M C 1.137 177.502 176.300 0.109 0.000 1.063 1243 M CA 1.880 57.215 55.300 0.059 0.000 1.110 1243 M CB -1.257 31.346 32.600 0.006 0.000 1.374 1243 M HN -0.257 nan 8.290 nan 0.000 0.411 1244 D N 0.218 120.640 120.400 0.037 0.000 2.144 1244 D HA -0.012 4.625 4.640 -0.004 0.000 0.200 1244 D C 2.032 178.278 176.300 -0.090 0.000 0.978 1244 D CA 1.648 55.638 54.000 -0.017 0.000 0.833 1244 D CB -0.425 40.352 40.800 -0.038 0.000 0.961 1244 D HN 0.495 nan 8.370 nan 0.000 0.470 1245 A N 0.500 123.281 122.820 -0.066 0.000 1.908 1245 A HA -0.186 4.132 4.320 -0.004 0.000 0.218 1245 A C 2.124 179.689 177.584 -0.032 0.000 1.181 1245 A CA 1.192 53.155 52.037 -0.124 0.000 0.627 1245 A CB -1.073 17.938 19.000 0.019 0.000 0.818 1245 A HN 0.298 nan 8.150 nan 0.000 0.445 1246 F N 0.702 120.625 119.950 -0.044 0.000 2.095 1246 F HA -0.187 4.338 4.527 -0.003 0.000 0.298 1246 F C 1.886 177.651 175.800 -0.058 0.000 1.104 1246 F CA 1.963 59.957 58.000 -0.010 0.000 1.232 1246 F CB -0.344 38.662 39.000 0.010 0.000 0.987 1246 F HN 0.149 nan 8.300 nan 0.000 0.475 1247 L N -0.496 120.681 121.223 -0.077 0.000 2.046 1247 L HA -0.296 4.042 4.340 -0.004 0.000 0.208 1247 L C 2.661 179.367 176.870 -0.274 0.000 1.077 1247 L CA 1.462 56.169 54.840 -0.220 0.000 0.747 1247 L CB -1.091 40.940 42.059 -0.047 0.000 0.896 1247 L HN 0.336 nan 8.230 nan 0.000 0.432 1248 C N -0.426 118.695 119.300 -0.299 0.000 2.446 1248 C HA -0.105 4.352 4.460 -0.004 0.000 0.277 1248 C C 3.148 178.021 174.990 -0.194 0.000 1.275 1248 C CA 0.608 59.398 59.018 -0.380 0.000 1.727 1248 C CB -1.049 26.128 27.740 -0.938 0.000 2.010 1248 C HN 0.617 nan 8.230 nan 0.000 0.486 1249 A N 0.449 123.193 122.820 -0.127 0.000 1.902 1249 A HA -0.218 4.099 4.320 -0.004 0.000 0.217 1249 A C 2.297 179.824 177.584 -0.095 0.000 1.181 1249 A CA 1.775 53.853 52.037 0.068 0.000 0.623 1249 A CB -0.652 18.388 19.000 0.067 0.000 0.818 1249 A HN 0.648 nan 8.150 nan 0.000 0.443 1250 R N -0.612 119.717 120.500 -0.284 0.000 2.073 1250 R HA -0.122 4.216 4.340 -0.004 0.000 0.234 1250 R C 2.310 178.480 176.300 -0.217 0.000 1.134 1250 R CA 1.626 57.527 56.100 -0.332 0.000 0.952 1250 R CB -0.755 29.201 30.300 -0.572 0.000 0.850 1250 R HN 0.465 nan 8.270 nan 0.000 0.433 1251 G N 0.827 109.504 108.800 -0.204 0.000 2.440 1251 G HA2 -0.317 3.640 3.960 -0.004 0.000 0.218 1251 G HA3 -0.317 3.640 3.960 -0.004 0.000 0.218 1251 G C 1.431 176.361 174.900 0.049 0.000 1.154 1251 G CA 0.851 45.909 45.100 -0.070 0.000 0.767 1251 G HN 0.339 nan 8.290 nan 0.000 0.552 1252 M N 0.021 119.645 119.600 0.039 0.000 2.394 1252 M HA 0.044 4.522 4.480 -0.004 0.000 0.264 1252 M C 2.144 178.456 176.300 0.019 0.000 1.073 1252 M CA 0.865 56.203 55.300 0.063 0.000 1.111 1252 M CB 0.038 32.712 32.600 0.123 0.000 1.401 1252 M HN -0.007 nan 8.290 nan 0.000 0.448 1253 K N -0.084 120.309 120.400 -0.011 0.000 2.160 1253 K HA -0.130 4.188 4.320 -0.004 0.000 0.206 1253 K C 1.670 178.270 176.600 0.000 0.000 1.047 1253 K CA 1.955 58.227 56.287 -0.025 0.000 0.930 1253 K CB -1.113 31.354 32.500 -0.055 0.000 0.720 1253 K HN 0.533 nan 8.250 nan 0.000 0.450 1254 T N -1.701 112.872 114.554 0.031 0.000 3.145 1254 T HA 0.133 4.481 4.350 -0.004 0.000 0.255 1254 T C 1.560 176.291 174.700 0.051 0.000 1.039 1254 T CA -0.303 61.827 62.100 0.050 0.000 0.928 1254 T CB 0.032 68.951 68.868 0.086 0.000 1.029 1254 T HN -0.061 nan 8.240 nan 0.000 0.554 1255 L N 2.404 123.650 121.223 0.038 0.000 1.989 1255 L HA 0.124 4.462 4.340 -0.004 0.000 0.211 1255 L C -0.927 175.927 176.870 -0.026 0.000 1.071 1255 L CA 2.020 56.873 54.840 0.022 0.000 0.749 1255 L CB -1.142 40.914 42.059 -0.005 0.000 0.890 1255 L HN 0.108 nan 8.230 nan 0.000 0.431 1256 P HA -0.162 nan 4.420 nan 0.000 0.215 1256 P C 1.918 179.202 177.300 -0.027 0.000 1.153 1256 P CA 1.310 64.362 63.100 -0.080 0.000 0.853 1256 P CB -0.105 31.563 31.700 -0.053 0.000 0.788 1257 I N -0.633 119.939 120.570 0.005 0.000 2.353 1257 I HA -0.126 4.042 4.170 -0.004 0.000 0.248 1257 I C 2.133 178.263 176.117 0.023 0.000 1.119 1257 I CA 1.248 62.560 61.300 0.021 0.000 1.417 1257 I CB -0.594 37.419 38.000 0.020 0.000 1.078 1257 I HN -0.231 nan 8.210 nan 0.000 0.421 1258 R N -0.625 119.890 120.500 0.026 0.000 2.073 1258 R HA -0.149 4.188 4.340 -0.004 0.000 0.234 1258 R C 2.163 178.528 176.300 0.108 0.000 1.134 1258 R CA 1.707 57.815 56.100 0.013 0.000 0.952 1258 R CB -0.414 29.935 30.300 0.082 0.000 0.850 1258 R HN 0.289 nan 8.270 nan 0.000 0.433 1259 M N 0.768 120.456 119.600 0.147 0.000 2.149 1259 M HA -0.212 4.266 4.480 -0.004 0.000 0.261 1259 M C 2.231 178.721 176.300 0.317 0.000 1.064 1259 M CA 1.560 56.962 55.300 0.169 0.000 1.102 1259 M CB -1.014 31.420 32.600 -0.276 0.000 1.369 1259 M HN 0.255 nan 8.290 nan 0.000 0.408 1260 Q N 0.231 120.165 119.800 0.223 0.000 2.050 1260 Q HA -0.172 4.166 4.340 -0.004 0.000 0.202 1260 Q C 1.904 178.007 176.000 0.171 0.000 0.980 1260 Q CA 1.337 57.290 55.803 0.250 0.000 0.840 1260 Q CB 0.123 28.951 28.738 0.151 0.000 0.898 1260 Q HN 0.371 nan 8.270 nan 0.000 0.424 1261 I N 0.671 121.295 120.570 0.090 0.000 2.202 1261 I HA -0.267 3.901 4.170 -0.004 0.000 0.242 1261 I C 2.372 178.528 176.117 0.066 0.000 1.091 1261 I CA 1.445 62.762 61.300 0.029 0.000 1.368 1261 I CB -1.898 36.065 38.000 -0.062 0.000 1.058 1261 I HN 0.349 nan 8.210 nan 0.000 0.410 1262 H N 0.338 119.497 119.070 0.148 0.000 2.289 1262 H HA -0.233 4.321 4.556 -0.004 0.000 0.296 1262 H C 2.281 177.723 175.328 0.190 0.000 1.091 1262 H CA 2.051 58.211 56.048 0.187 0.000 1.274 1262 H CB -0.409 29.495 29.762 0.237 0.000 1.364 1262 H HN 0.307 nan 8.280 nan 0.000 0.490 1263 M N 0.728 120.531 119.600 0.338 0.000 2.080 1263 M HA -0.189 4.289 4.480 -0.004 0.000 0.260 1263 M C 1.959 178.356 176.300 0.162 0.000 1.068 1263 M CA 1.842 57.279 55.300 0.228 0.000 1.109 1263 M CB 0.029 32.676 32.600 0.079 0.000 1.342 1263 M HN 0.201 nan 8.290 nan 0.000 0.405 1264 E N 0.091 120.367 120.200 0.126 0.000 2.072 1264 E HA -0.140 4.207 4.350 -0.004 0.000 0.190 1264 E C 1.697 178.339 176.600 0.069 0.000 0.982 1264 E CA 1.527 57.970 56.400 0.072 0.000 0.803 1264 E CB -0.207 29.526 29.700 0.056 0.000 0.755 1264 E HN 0.674 nan 8.360 nan 0.000 0.453 1265 N N 0.075 118.835 118.700 0.100 0.000 2.069 1265 N HA -0.151 4.587 4.740 -0.004 0.000 0.191 1265 N C 2.042 177.639 175.510 0.145 0.000 1.031 1265 N CA 0.845 53.958 53.050 0.105 0.000 0.852 1265 N CB -0.205 38.353 38.487 0.118 0.000 1.018 1265 N HN 0.134 nan 8.380 nan 0.000 0.423 1266 G N 1.398 110.331 108.800 0.222 0.000 2.440 1266 G HA2 -0.200 3.758 3.960 -0.004 0.000 0.218 1266 G HA3 -0.200 3.758 3.960 -0.004 0.000 0.218 1266 G C 1.542 176.474 174.900 0.054 0.000 1.154 1266 G CA 0.440 45.731 45.100 0.319 0.000 0.767 1266 G HN 0.140 nan 8.290 nan 0.000 0.552 1267 L N -0.266 120.905 121.223 -0.087 0.000 2.056 1267 L HA -0.022 4.316 4.340 -0.004 0.000 0.207 1267 L C 2.973 179.702 176.870 -0.235 0.000 1.078 1267 L CA 1.251 55.863 54.840 -0.379 0.000 0.749 1267 L CB -0.198 41.714 42.059 -0.244 0.000 0.901 1267 L HN 0.164 nan 8.230 nan 0.000 0.433 1268 K N -0.762 119.591 120.400 -0.078 0.000 2.097 1268 K HA -0.104 4.213 4.320 -0.004 0.000 0.205 1268 K C 1.991 178.611 176.600 0.033 0.000 1.050 1268 K CA 0.960 57.232 56.287 -0.025 0.000 0.938 1268 K CB -0.070 32.430 32.500 -0.000 0.000 0.718 1268 K HN 0.087 nan 8.250 nan 0.000 0.442 1269 V N 1.211 121.171 119.914 0.078 0.000 2.358 1269 V HA -0.224 3.894 4.120 -0.004 0.000 0.246 1269 V C 2.277 178.480 176.094 0.181 0.000 1.047 1269 V CA 1.986 64.398 62.300 0.187 0.000 1.035 1269 V CB -0.540 31.447 31.823 0.274 0.000 0.658 1269 V HN 0.340 nan 8.190 nan 0.000 0.452 1270 A N -0.099 122.702 122.820 -0.031 0.000 1.933 1270 A HA -0.221 4.096 4.320 -0.004 0.000 0.218 1270 A C 2.284 179.770 177.584 -0.163 0.000 1.175 1270 A CA 1.859 53.745 52.037 -0.252 0.000 0.628 1270 A CB -0.378 18.114 19.000 -0.845 0.000 0.814 1270 A HN 0.555 nan 8.150 nan 0.000 0.444 1271 K N -1.432 118.882 120.400 -0.143 0.000 2.057 1271 K HA -0.077 4.241 4.320 -0.004 0.000 0.206 1271 K C 1.803 178.397 176.600 -0.011 0.000 1.050 1271 K CA 1.449 57.682 56.287 -0.089 0.000 0.935 1271 K CB -0.361 32.090 32.500 -0.082 0.000 0.715 1271 K HN 0.549 nan 8.250 nan 0.000 0.439 1272 F N 2.099 122.011 119.950 -0.063 0.000 2.069 1272 F HA -0.228 4.296 4.527 -0.004 0.000 0.298 1272 F C 1.820 177.611 175.800 -0.016 0.000 1.113 1272 F CA 1.387 59.370 58.000 -0.027 0.000 1.214 1272 F CB -0.184 38.803 39.000 -0.022 0.000 0.978 1272 F HN -0.125 nan 8.300 nan 0.000 0.474 1273 L N 0.261 121.310 121.223 -0.289 0.000 2.042 1273 L HA -0.235 4.103 4.340 -0.004 0.000 0.210 1273 L C 2.499 179.217 176.870 -0.254 0.000 1.076 1273 L CA 1.928 56.528 54.840 -0.401 0.000 0.749 1273 L CB -0.902 40.967 42.059 -0.317 0.000 0.893 1273 L HN 0.291 nan 8.230 nan 0.000 0.432 1274 E N 0.427 120.533 120.200 -0.156 0.000 2.153 1274 E HA -0.265 4.083 4.350 -0.004 0.000 0.194 1274 E C 1.936 178.473 176.600 -0.105 0.000 0.988 1274 E CA 1.255 57.598 56.400 -0.095 0.000 0.811 1274 E CB 0.185 29.836 29.700 -0.081 0.000 0.746 1274 E HN 0.595 nan 8.360 nan 0.000 0.466 1275 Q N -0.733 118.976 119.800 -0.151 0.000 2.360 1275 Q HA 0.031 4.369 4.340 -0.004 0.000 0.202 1275 Q C 0.330 176.219 176.000 -0.185 0.000 0.915 1275 Q CA 0.384 56.104 55.803 -0.138 0.000 0.943 1275 Q CB -0.014 28.661 28.738 -0.105 0.000 1.064 1275 Q HN 0.149 nan 8.270 nan 0.000 0.511 1276 H N 1.518 120.383 119.070 -0.340 0.000 2.646 1276 H HA 0.094 4.648 4.556 -0.004 0.000 0.325 1276 H C 0.422 175.645 175.328 -0.175 0.000 1.075 1276 H CA 0.227 56.073 56.048 -0.337 0.000 1.421 1276 H CB 1.232 30.666 29.762 -0.546 0.000 1.461 1276 H HN 0.484 nan 8.280 nan 0.000 0.525 1277 E N 3.708 123.687 120.200 -0.368 0.000 2.171 1277 E HA -0.184 4.163 4.350 -0.004 0.000 0.197 1277 E C 1.021 177.648 176.600 0.045 0.000 0.997 1277 E CA 1.054 57.370 56.400 -0.140 0.000 0.810 1277 E CB 0.298 29.880 29.700 -0.197 0.000 0.738 1277 E HN 0.525 nan 8.360 nan 0.000 0.467 1278 K N -0.024 120.534 120.400 0.263 0.000 2.366 1278 K HA 0.008 4.326 4.320 -0.004 0.000 0.198 1278 K C 0.411 177.087 176.600 0.128 0.000 1.044 1278 K CA 0.241 56.638 56.287 0.183 0.000 0.973 1278 K CB 0.433 33.043 32.500 0.182 0.000 0.767 1278 K HN 0.180 nan 8.250 nan 0.000 0.475 1279 I N 1.473 122.113 120.570 0.118 0.000 2.331 1279 I HA 0.022 4.189 4.170 -0.004 0.000 0.292 1279 I C 1.609 177.778 176.117 0.087 0.000 0.998 1279 I CA -0.206 61.154 61.300 0.100 0.000 1.267 1279 I CB 1.406 39.421 38.000 0.025 0.000 1.386 1279 I HN -0.282 nan 8.210 nan 0.000 0.476 1280 V N 5.582 125.563 119.914 0.113 0.000 2.446 1280 V HA 0.043 4.161 4.120 -0.004 0.000 0.244 1280 V C 0.883 177.031 176.094 0.090 0.000 1.039 1280 V CA 1.246 63.598 62.300 0.087 0.000 1.045 1280 V CB -0.175 31.699 31.823 0.086 0.000 0.681 1280 V HN 0.766 nan 8.190 nan 0.000 0.459 1281 K N -1.155 119.325 120.400 0.132 0.000 2.568 1281 K HA 0.602 4.920 4.320 -0.004 0.000 0.273 1281 K C -2.098 174.629 176.600 0.212 0.000 0.951 1281 K CA -0.458 55.915 56.287 0.143 0.000 0.854 1281 K CB 2.793 35.376 32.500 0.138 0.000 1.424 1281 K HN -0.124 nan 8.250 nan 0.000 0.427 1282 V N 2.591 122.625 119.914 0.201 0.000 2.483 1282 V HA 0.329 4.447 4.120 -0.004 0.000 0.297 1282 V C -0.709 175.527 176.094 0.237 0.000 1.027 1282 V CA -0.860 61.596 62.300 0.260 0.000 0.855 1282 V CB 1.688 33.603 31.823 0.153 0.000 0.995 1282 V HN 0.755 nan 8.190 nan 0.000 0.424 1283 N N 3.718 122.585 118.700 0.278 0.000 3.083 1283 N HA 0.201 4.938 4.740 -0.004 0.000 0.260 1283 N C -0.852 174.509 175.510 -0.247 0.000 1.163 1283 N CA -0.266 52.854 53.050 0.116 0.000 1.060 1283 N CB 0.178 38.828 38.487 0.271 0.000 1.345 1283 N HN 0.660 nan 8.380 nan 0.000 0.515 1284 H N 2.510 121.248 119.070 -0.555 0.000 2.539 1284 H HA 0.227 4.780 4.556 -0.004 0.000 0.332 1284 H C -2.027 172.806 175.328 -0.825 0.000 1.031 1284 H CA -2.031 53.614 56.048 -0.673 0.000 1.206 1284 H CB 2.138 31.396 29.762 -0.840 0.000 1.446 1284 H HN 0.254 nan 8.280 nan 0.000 0.496 1285 P HA -0.003 nan 4.420 nan 0.000 0.237 1285 P C 1.086 178.316 177.300 -0.117 0.000 1.178 1285 P CA 0.779 63.684 63.100 -0.325 0.000 0.766 1285 P CB 0.079 31.733 31.700 -0.077 0.000 0.876 1286 G N -0.352 108.209 108.800 -0.398 0.000 2.880 1286 G HA2 0.099 4.057 3.960 -0.004 0.000 0.209 1286 G HA3 0.099 4.057 3.960 -0.004 0.000 0.209 1286 G C 0.591 175.232 174.900 -0.431 0.000 1.157 1286 G CA -0.157 44.457 45.100 -0.811 0.000 0.779 1286 G HN 0.208 nan 8.290 nan 0.000 0.539 1287 L N 0.389 121.397 121.223 -0.358 0.000 2.371 1287 L HA 0.259 4.597 4.340 -0.004 0.000 0.272 1287 L C 1.324 177.879 176.870 -0.524 0.000 1.124 1287 L CA -0.412 54.202 54.840 -0.378 0.000 0.816 1287 L CB 1.473 43.404 42.059 -0.214 0.000 1.129 1287 L HN 0.128 nan 8.230 nan 0.000 0.448 1288 E N 0.574 120.476 120.200 -0.495 0.000 2.204 1288 E HA -0.166 4.182 4.350 -0.004 0.000 0.194 1288 E C 1.898 178.412 176.600 -0.143 0.000 0.989 1288 E CA 1.286 57.440 56.400 -0.411 0.000 0.824 1288 E CB 0.193 29.759 29.700 -0.224 0.000 0.756 1288 E HN 0.787 nan 8.360 nan 0.000 0.477 1289 S N 0.124 115.776 115.700 -0.081 0.000 2.507 1289 S HA -0.113 4.354 4.470 -0.004 0.000 0.235 1289 S C 0.534 175.177 174.600 0.071 0.000 0.988 1289 S CA -0.019 58.180 58.200 -0.001 0.000 0.944 1289 S CB -0.203 63.002 63.200 0.008 0.000 0.762 1289 S HN 0.155 nan 8.310 nan 0.000 0.526 1290 F N 4.320 124.239 119.950 -0.052 0.000 2.445 1290 F HA 0.477 5.002 4.527 -0.004 0.000 0.359 1290 F C -2.673 173.166 175.800 0.064 0.000 1.101 1290 F CA -2.992 55.018 58.000 0.017 0.000 1.177 1290 F CB 0.495 39.512 39.000 0.029 0.000 1.110 1290 F HN -0.042 nan 8.300 nan 0.000 0.522 1291 P HA 0.244 nan 4.420 nan 0.000 0.267 1291 P C 0.378 177.449 177.300 -0.383 0.000 1.209 1291 P CA 0.850 63.715 63.100 -0.392 0.000 0.763 1291 P CB 0.691 32.155 31.700 -0.393 0.000 0.816 1292 G N 2.196 110.952 108.800 -0.073 0.000 2.176 1292 G HA2 -0.313 3.645 3.960 -0.004 0.000 0.232 1292 G HA3 -0.313 3.645 3.960 -0.004 0.000 0.232 1292 G C 1.213 176.240 174.900 0.212 0.000 0.986 1292 G CA 0.325 45.459 45.100 0.057 0.000 0.643 1292 G HN 0.693 nan 8.290 nan 0.000 0.522 1293 H N 0.997 120.181 119.070 0.189 0.000 2.353 1293 H HA -0.112 4.442 4.556 -0.004 0.000 0.298 1293 H C 2.058 177.478 175.328 0.155 0.000 1.103 1293 H CA 2.033 58.210 56.048 0.214 0.000 1.293 1293 H CB 0.109 29.972 29.762 0.167 0.000 1.372 1293 H HN 0.424 nan 8.280 nan 0.000 0.501 1294 D N 0.450 120.861 120.400 0.019 0.000 2.144 1294 D HA -0.113 4.525 4.640 -0.004 0.000 0.199 1294 D C 2.467 178.738 176.300 -0.048 0.000 0.984 1294 D CA 0.945 54.915 54.000 -0.049 0.000 0.834 1294 D CB -0.204 40.613 40.800 0.028 0.000 0.955 1294 D HN 0.482 nan 8.370 nan 0.000 0.465 1295 I N 1.038 121.610 120.570 0.004 0.000 2.193 1295 I HA -0.211 3.957 4.170 -0.004 0.000 0.240 1295 I C 2.506 178.637 176.117 0.022 0.000 1.084 1295 I CA 0.952 62.263 61.300 0.017 0.000 1.365 1295 I CB -0.234 37.788 38.000 0.037 0.000 1.064 1295 I HN -0.090 nan 8.210 nan 0.000 0.410 1296 A N 1.238 124.099 122.820 0.067 0.000 1.892 1296 A HA -0.326 3.991 4.320 -0.004 0.000 0.218 1296 A C 2.277 179.885 177.584 0.039 0.000 1.188 1296 A CA 2.550 54.659 52.037 0.120 0.000 0.631 1296 A CB -0.644 18.529 19.000 0.288 0.000 0.822 1296 A HN 0.427 nan 8.150 nan 0.000 0.447 1297 K N -0.422 119.951 120.400 -0.046 0.000 2.148 1297 K HA -0.097 4.221 4.320 -0.004 0.000 0.204 1297 K C 1.871 178.422 176.600 -0.082 0.000 1.050 1297 K CA 1.689 57.919 56.287 -0.095 0.000 0.942 1297 K CB -0.054 32.294 32.500 -0.252 0.000 0.724 1297 K HN 0.281 nan 8.250 nan 0.000 0.446 1298 K N 0.395 120.760 120.400 -0.058 0.000 2.116 1298 K HA -0.016 4.302 4.320 -0.004 0.000 0.203 1298 K C 1.964 178.547 176.600 -0.028 0.000 1.052 1298 K CA 1.371 57.636 56.287 -0.036 0.000 0.952 1298 K CB 0.153 32.640 32.500 -0.022 0.000 0.729 1298 K HN 0.407 nan 8.250 nan 0.000 0.446 1299 Q N -0.636 119.152 119.800 -0.020 0.000 2.384 1299 Q HA 0.200 4.537 4.340 -0.004 0.000 0.207 1299 Q C 0.473 176.465 176.000 -0.013 0.000 0.904 1299 Q CA 0.182 55.980 55.803 -0.008 0.000 0.933 1299 Q CB 0.606 29.349 28.738 0.007 0.000 1.077 1299 Q HN 0.188 nan 8.270 nan 0.000 0.522 1300 M N -0.535 119.035 119.600 -0.050 0.000 2.716 1300 M HA 0.274 4.752 4.480 -0.004 0.000 0.307 1300 M C 0.298 176.513 176.300 -0.141 0.000 1.223 1300 M CA -0.384 54.870 55.300 -0.078 0.000 0.871 1300 M CB 1.973 34.505 32.600 -0.114 0.000 1.739 1300 M HN -0.121 nan 8.290 nan 0.000 0.475 1301 T N -2.571 111.926 114.554 -0.095 0.000 3.129 1301 T HA 0.574 4.922 4.350 -0.004 0.000 0.267 1301 T C 0.370 174.869 174.700 -0.335 0.000 1.018 1301 T CA 0.054 62.091 62.100 -0.105 0.000 0.903 1301 T CB 0.062 68.964 68.868 0.056 0.000 1.067 1301 T HN 0.950 nan 8.240 nan 0.000 0.549 1302 G N -0.026 108.342 108.800 -0.720 0.000 2.427 1302 G HA2 0.520 4.477 3.960 -0.004 0.000 0.306 1302 G HA3 0.520 4.477 3.960 -0.004 0.000 0.306 1302 G C -2.378 171.730 174.900 -1.320 0.000 1.280 1302 G CA -1.047 43.152 45.100 -1.501 0.000 0.837 1302 G HN 0.216 nan 8.290 nan 0.000 0.482 1303 Y N -0.530 119.386 120.300 -0.641 0.000 2.492 1303 Y HA 0.616 5.163 4.550 -0.004 0.000 0.346 1303 Y C 0.948 176.818 175.900 -0.049 0.000 0.997 1303 Y CA -0.244 57.752 58.100 -0.174 0.000 1.025 1303 Y CB 2.176 40.611 38.460 -0.042 0.000 1.263 1303 Y HN 0.875 nan 8.280 nan 0.000 0.454 1304 G N 0.179 109.053 108.800 0.124 0.000 2.631 1304 G HA2 0.340 4.297 3.960 -0.004 0.000 0.271 1304 G HA3 0.340 4.297 3.960 -0.004 0.000 0.271 1304 G C 0.331 175.275 174.900 0.073 0.000 1.302 1304 G CA -0.105 44.958 45.100 -0.061 0.000 1.002 1304 G HN 0.742 nan 8.290 nan 0.000 0.519 1305 S N -1.852 113.937 115.700 0.149 0.000 2.754 1305 S HA 0.301 4.769 4.470 -0.004 0.000 0.247 1305 S C 0.189 174.966 174.600 0.295 0.000 1.031 1305 S CA -0.366 58.019 58.200 0.309 0.000 1.014 1305 S CB 0.367 63.798 63.200 0.385 0.000 0.918 1305 S HN 0.411 nan 8.310 nan 0.000 0.519 1306 T N 3.378 117.972 114.554 0.065 0.000 2.758 1306 T HA 0.719 5.066 4.350 -0.004 0.000 0.285 1306 T C -0.742 173.961 174.700 0.004 0.000 0.981 1306 T CA -0.492 61.512 62.100 -0.161 0.000 0.965 1306 T CB 0.465 68.956 68.868 -0.628 0.000 0.927 1306 T HN 0.524 nan 8.240 nan 0.000 0.448 1307 F N 1.269 121.215 119.950 -0.007 0.000 2.877 1307 F HA 0.802 5.326 4.527 -0.004 0.000 0.319 1307 F C -2.184 173.700 175.800 0.141 0.000 1.174 1307 F CA -1.729 56.306 58.000 0.058 0.000 0.903 1307 F CB 1.151 40.137 39.000 -0.024 0.000 1.357 1307 F HN 0.517 nan 8.300 nan 0.000 0.472 1308 L N 1.897 123.310 121.223 0.316 0.000 2.341 1308 L HA 0.875 5.212 4.340 -0.004 0.000 0.267 1308 L C -1.613 175.466 176.870 0.348 0.000 1.009 1308 L CA -0.957 53.961 54.840 0.131 0.000 0.819 1308 L CB 2.260 44.369 42.059 0.083 0.000 1.323 1308 L HN 0.816 nan 8.230 nan 0.000 0.425 1309 F N 0.233 120.258 119.950 0.125 0.000 2.626 1309 F HA 0.595 5.120 4.527 -0.004 0.000 0.311 1309 F C -0.981 174.879 175.800 0.100 0.000 1.088 1309 F CA -0.901 57.189 58.000 0.149 0.000 0.949 1309 F CB 1.339 40.444 39.000 0.176 0.000 1.322 1309 F HN 0.489 nan 8.300 nan 0.000 0.461 1310 E N 3.377 123.740 120.200 0.271 0.000 2.133 1310 E HA 0.366 4.713 4.350 -0.004 0.000 0.274 1310 E C -0.838 175.882 176.600 0.201 0.000 0.930 1310 E CA -0.868 55.623 56.400 0.153 0.000 0.770 1310 E CB 0.963 30.738 29.700 0.126 0.000 1.104 1310 E HN 0.600 nan 8.360 nan 0.000 0.403 1311 M N 3.133 122.822 119.600 0.148 0.000 2.245 1311 M HA 0.211 4.689 4.480 -0.004 0.000 0.292 1311 M C 0.908 177.269 176.300 0.101 0.000 1.176 1311 M CA 0.007 55.393 55.300 0.143 0.000 1.035 1311 M CB 0.375 33.044 32.600 0.115 0.000 1.440 1311 M HN 0.475 nan 8.290 nan 0.000 0.494 1312 K N 0.248 120.697 120.400 0.082 0.000 2.365 1312 K HA -0.004 4.314 4.320 -0.004 0.000 0.199 1312 K C 0.257 176.894 176.600 0.063 0.000 1.045 1312 K CA 0.546 56.871 56.287 0.063 0.000 0.962 1312 K CB 0.142 32.670 32.500 0.046 0.000 0.759 1312 K HN 0.801 nan 8.250 nan 0.000 0.469 1313 S N -1.964 113.776 115.700 0.068 0.000 2.587 1313 S HA 0.163 4.631 4.470 -0.004 0.000 0.269 1313 S C 0.214 174.881 174.600 0.112 0.000 1.154 1313 S CA -1.015 57.239 58.200 0.090 0.000 0.824 1313 S CB 0.264 63.501 63.200 0.062 0.000 1.118 1313 S HN 0.097 nan 8.310 nan 0.000 0.462 1314 F N 1.727 121.700 119.950 0.038 0.000 2.126 1314 F HA -0.065 4.460 4.527 -0.004 0.000 0.299 1314 F C 2.054 177.848 175.800 -0.009 0.000 1.096 1314 F CA 2.247 60.265 58.000 0.031 0.000 1.255 1314 F CB -0.224 38.795 39.000 0.032 0.000 0.997 1314 F HN 0.745 nan 8.300 nan 0.000 0.479 1315 E N 0.789 120.834 120.200 -0.259 0.000 2.110 1315 E HA -0.153 4.195 4.350 -0.004 0.000 0.193 1315 E C 2.285 178.732 176.600 -0.255 0.000 0.988 1315 E CA 1.318 57.523 56.400 -0.326 0.000 0.804 1315 E CB -0.685 28.955 29.700 -0.101 0.000 0.745 1315 E HN 0.508 nan 8.360 nan 0.000 0.458 1316 A N 0.834 123.572 122.820 -0.137 0.000 1.930 1316 A HA -0.046 4.272 4.320 -0.004 0.000 0.217 1316 A C 2.337 179.872 177.584 -0.082 0.000 1.175 1316 A CA 1.722 53.714 52.037 -0.076 0.000 0.627 1316 A CB -0.736 18.255 19.000 -0.015 0.000 0.815 1316 A HN 0.282 nan 8.150 nan 0.000 0.443 1317 A N 0.196 122.942 122.820 -0.123 0.000 1.877 1317 A HA -0.164 4.153 4.320 -0.004 0.000 0.216 1317 A C 2.123 179.593 177.584 -0.190 0.000 1.186 1317 A CA 2.053 54.030 52.037 -0.100 0.000 0.620 1317 A CB -0.481 18.497 19.000 -0.035 0.000 0.822 1317 A HN 0.591 nan 8.150 nan 0.000 0.443 1318 K N -0.036 120.113 120.400 -0.418 0.000 2.026 1318 K HA -0.206 4.112 4.320 -0.004 0.000 0.208 1318 K C 2.144 178.663 176.600 -0.136 0.000 1.048 1318 K CA 1.939 57.995 56.287 -0.385 0.000 0.929 1318 K CB -0.235 31.883 32.500 -0.637 0.000 0.713 1318 K HN 0.381 nan 8.250 nan 0.000 0.439 1319 K N 0.410 120.759 120.400 -0.084 0.000 2.063 1319 K HA -0.173 4.145 4.320 -0.004 0.000 0.208 1319 K C 2.213 178.919 176.600 0.177 0.000 1.048 1319 K CA 1.377 57.714 56.287 0.084 0.000 0.928 1319 K CB -0.202 32.286 32.500 -0.019 0.000 0.713 1319 K HN 0.194 nan 8.250 nan 0.000 0.442 1320 L N 1.032 122.297 121.223 0.070 0.000 1.989 1320 L HA -0.160 4.178 4.340 -0.004 0.000 0.211 1320 L C 2.123 179.056 176.870 0.104 0.000 1.071 1320 L CA 1.855 56.754 54.840 0.099 0.000 0.749 1320 L CB -0.325 41.799 42.059 0.109 0.000 0.890 1320 L HN 0.256 nan 8.230 nan 0.000 0.431 1321 M N -1.050 118.580 119.600 0.050 0.000 2.374 1321 M HA -0.154 4.324 4.480 -0.004 0.000 0.264 1321 M C 1.537 177.833 176.300 -0.007 0.000 1.067 1321 M CA 1.444 56.760 55.300 0.026 0.000 1.103 1321 M CB -0.210 32.385 32.600 -0.008 0.000 1.402 1321 M HN 0.339 nan 8.290 nan 0.000 0.444 1322 E N -1.172 119.006 120.200 -0.037 0.000 2.474 1322 E HA 0.020 4.368 4.350 -0.004 0.000 0.195 1322 E C 0.289 176.651 176.600 -0.396 0.000 1.039 1322 E CA 0.189 56.472 56.400 -0.195 0.000 0.881 1322 E CB 0.368 29.914 29.700 -0.257 0.000 0.970 1322 E HN 0.547 nan 8.360 nan 0.000 0.486 1323 H N 0.013 119.084 119.070 0.003 0.000 2.549 1323 H HA 0.252 4.806 4.556 -0.004 0.000 0.253 1323 H C -0.309 175.028 175.328 0.016 0.000 1.170 1323 H CA -0.086 55.968 56.048 0.012 0.000 0.943 1323 H CB 0.558 30.330 29.762 0.017 0.000 1.849 1323 H HN 0.001 nan 8.280 nan 0.000 0.603 1324 L N 1.133 122.396 121.223 0.067 0.000 2.322 1324 L HA 0.278 4.615 4.340 -0.004 0.000 0.279 1324 L C 0.965 177.852 176.870 0.029 0.000 1.036 1324 L CA -0.524 54.347 54.840 0.052 0.000 0.807 1324 L CB 1.571 43.657 42.059 0.047 0.000 1.226 1324 L HN -0.023 nan 8.230 nan 0.000 0.433 1325 K N 1.551 121.967 120.400 0.027 0.000 2.399 1325 K HA 0.159 4.477 4.320 -0.004 0.000 0.196 1325 K C 1.210 177.816 176.600 0.011 0.000 1.103 1325 K CA 0.430 56.727 56.287 0.016 0.000 0.986 1325 K CB 0.667 33.177 32.500 0.018 0.000 0.952 1325 K HN 0.404 nan 8.250 nan 0.000 0.541 1326 V N 1.193 121.114 119.914 0.012 0.000 2.690 1326 V HA 0.018 4.136 4.120 -0.004 0.000 0.240 1326 V C 1.147 177.248 176.094 0.012 0.000 1.078 1326 V CA 0.309 62.614 62.300 0.008 0.000 1.102 1326 V CB 0.048 31.873 31.823 0.004 0.000 0.800 1326 V HN 0.110 nan 8.190 nan 0.000 0.479 1327 C N 1.678 120.989 119.300 0.018 0.000 2.662 1327 C HA 0.413 4.871 4.460 -0.004 0.000 0.420 1327 C C 0.890 175.889 174.990 0.015 0.000 1.314 1327 C CA -0.104 58.927 59.018 0.021 0.000 1.963 1327 C CB -0.458 27.303 27.740 0.034 0.000 2.686 1327 C HN 0.436 nan 8.230 nan 0.000 0.609 1328 T N 3.738 118.299 114.554 0.011 0.000 2.794 1328 T HA 0.358 4.706 4.350 -0.004 0.000 0.280 1328 T C -0.300 174.404 174.700 0.007 0.000 0.987 1328 T CA -0.293 61.810 62.100 0.006 0.000 0.993 1328 T CB 0.924 69.795 68.868 0.004 0.000 0.939 1328 T HN 0.483 nan 8.240 nan 0.000 0.449 1329 L N 4.283 125.509 121.223 0.005 0.000 2.385 1329 L HA 0.642 4.980 4.340 -0.004 0.000 0.281 1329 L C -0.111 176.766 176.870 0.012 0.000 1.106 1329 L CA 0.422 55.267 54.840 0.009 0.000 0.856 1329 L CB -0.971 41.088 42.059 0.000 0.000 1.186 1329 L HN 0.872 nan 8.230 nan 0.000 0.453 1330 A N 3.895 126.726 122.820 0.018 0.000 2.581 1330 A HA 0.559 4.877 4.320 -0.004 0.000 0.294 1330 A C -0.721 176.880 177.584 0.028 0.000 1.035 1330 A CA -0.227 51.822 52.037 0.021 0.000 0.684 1330 A CB 0.301 19.308 19.000 0.012 0.000 1.282 1330 A HN 1.119 nan 8.150 nan 0.000 0.417 1331 V N -0.065 119.872 119.914 0.038 0.000 3.596 1331 V HA 0.886 5.004 4.120 -0.004 0.000 0.288 1331 V C 0.718 176.836 176.094 0.039 0.000 1.021 1331 V CA 0.632 62.965 62.300 0.054 0.000 1.020 1331 V CB 0.791 32.658 31.823 0.074 0.000 1.243 1331 V HN 2.967 nan 8.190 nan 0.000 0.433 1332 S N -0.415 115.319 115.700 0.056 0.000 3.976 1332 S HA -0.013 4.455 4.470 -0.004 0.000 0.652 1332 S C -0.956 173.625 174.600 -0.032 0.000 1.522 1332 S CA 0.673 58.884 58.200 0.019 0.000 1.667 1332 S CB -1.205 61.992 63.200 -0.005 0.000 0.332 1332 S HN 2.568 nan 8.310 nan 0.000 1.594 1333 L N -1.535 119.621 121.223 -0.112 0.000 2.838 1333 L HA 0.830 5.168 4.340 -0.004 0.000 0.266 1333 L C 0.903 177.499 176.870 -0.456 0.000 1.040 1333 L CA -0.024 54.671 54.840 -0.241 0.000 0.906 1333 L CB 0.889 42.804 42.059 -0.239 0.000 1.501 1333 L HN 2.241 nan 8.230 nan 0.000 0.407 1334 G N -0.749 107.587 108.800 -0.773 0.000 2.143 1334 G HA2 -0.235 3.723 3.960 -0.004 0.000 0.248 1334 G HA3 -0.235 3.723 3.960 -0.004 0.000 0.248 1334 G C 0.193 174.721 174.900 -0.620 0.000 0.991 1334 G CA 0.160 44.370 45.100 -1.483 0.000 0.689 1334 G HN 0.936 nan 8.290 nan 0.000 0.522 1335 C N -0.049 119.074 119.300 -0.295 0.000 2.422 1335 C HA 0.568 5.026 4.460 -0.004 0.000 0.364 1335 C C 2.649 177.654 174.990 0.026 0.000 1.251 1335 C CA 0.099 59.049 59.018 -0.113 0.000 2.441 1335 C CB 0.764 28.455 27.740 -0.082 0.000 2.393 1335 C HN 1.107 nan 8.230 nan 0.000 0.606 1336 V N 1.340 121.230 119.914 -0.040 0.000 2.469 1336 V HA -0.021 4.097 4.120 -0.004 0.000 0.251 1336 V C 0.816 176.911 176.094 0.000 0.000 1.064 1336 V CA 1.891 64.164 62.300 -0.044 0.000 1.066 1336 V CB -1.011 30.695 31.823 -0.194 0.000 0.667 1336 V HN 0.927 nan 8.190 nan 0.000 0.461 1337 D N -0.041 120.358 120.400 -0.003 0.000 2.217 1337 D HA 0.207 4.845 4.640 -0.004 0.000 0.248 1337 D C -0.348 175.966 176.300 0.022 0.000 1.008 1337 D CA -0.410 53.595 54.000 0.008 0.000 0.914 1337 D CB 1.495 42.293 40.800 -0.003 0.000 1.182 1337 D HN 0.165 nan 8.370 nan 0.000 0.451 1338 T N 1.511 116.081 114.554 0.027 0.000 2.851 1338 T HA 0.303 4.651 4.350 -0.004 0.000 0.298 1338 T C -0.087 174.619 174.700 0.010 0.000 0.977 1338 T CA -0.427 61.691 62.100 0.030 0.000 1.126 1338 T CB 0.259 69.150 68.868 0.039 0.000 0.916 1338 T HN 0.180 nan 8.240 nan 0.000 0.529 1339 L N 3.518 124.738 121.223 -0.004 0.000 2.333 1339 L HA 0.695 5.033 4.340 -0.004 0.000 0.269 1339 L C -0.197 176.668 176.870 -0.008 0.000 1.010 1339 L CA -0.914 53.920 54.840 -0.010 0.000 0.818 1339 L CB 1.679 43.721 42.059 -0.027 0.000 1.306 1339 L HN 0.637 nan 8.230 nan 0.000 0.430 1340 I N 1.243 121.816 120.570 0.004 0.000 2.722 1340 I HA 0.542 4.710 4.170 -0.004 0.000 0.295 1340 I C -1.405 174.722 176.117 0.016 0.000 1.161 1340 I CA -0.221 61.084 61.300 0.009 0.000 1.032 1340 I CB 2.424 40.445 38.000 0.035 0.000 1.244 1340 I HN 0.870 nan 8.210 nan 0.000 0.421 1341 E N 4.791 125.000 120.200 0.015 0.000 2.454 1341 E HA 0.365 4.713 4.350 -0.004 0.000 0.279 1341 E C -1.633 175.013 176.600 0.076 0.000 1.029 1341 E CA -0.809 55.622 56.400 0.052 0.000 0.831 1341 E CB 1.180 30.915 29.700 0.058 0.000 1.405 1341 E HN 0.517 nan 8.360 nan 0.000 0.463 1342 H N 1.261 120.334 119.070 0.004 0.000 2.691 1342 H HA 0.268 4.821 4.556 -0.004 0.000 0.281 1342 H C -2.024 173.324 175.328 0.032 0.000 1.121 1342 H CA -2.331 53.725 56.048 0.014 0.000 1.254 1342 H CB 1.356 31.158 29.762 0.067 0.000 1.390 1342 H HN 0.313 nan 8.280 nan 0.000 0.491 1343 P HA -0.170 nan 4.420 nan 0.000 0.216 1343 P C 1.384 178.595 177.300 -0.149 0.000 1.153 1343 P CA 1.872 64.906 63.100 -0.110 0.000 0.858 1343 P CB 0.194 31.796 31.700 -0.164 0.000 0.789 1344 A N -0.079 122.509 122.820 -0.387 0.000 1.940 1344 A HA -0.187 4.131 4.320 -0.004 0.000 0.219 1344 A C 2.180 179.719 177.584 -0.074 0.000 1.176 1344 A CA 2.492 54.389 52.037 -0.233 0.000 0.631 1344 A CB -1.387 17.448 19.000 -0.276 0.000 0.814 1344 A HN 0.378 nan 8.150 nan 0.000 0.446 1345 S N -2.823 112.895 115.700 0.031 0.000 2.539 1345 S HA 0.456 4.924 4.470 -0.004 0.000 0.221 1345 S C 1.107 175.767 174.600 0.100 0.000 0.987 1345 S CA 0.316 58.595 58.200 0.131 0.000 0.929 1345 S CB 0.020 63.370 63.200 0.250 0.000 0.832 1345 S HN 0.458 nan 8.310 nan 0.000 0.492 1346 M N 1.153 120.800 119.600 0.078 0.000 3.105 1346 M HA 0.175 4.653 4.480 -0.004 0.000 0.157 1346 M C 2.089 178.406 176.300 0.029 0.000 1.882 1346 M CA 0.902 56.240 55.300 0.063 0.000 1.650 1346 M CB -0.559 32.095 32.600 0.090 0.000 0.973 1346 M HN 0.254 nan 8.290 nan 0.000 0.629 1347 T N -1.672 112.918 114.554 0.060 0.000 3.077 1347 T HA -0.084 4.264 4.350 -0.004 0.000 0.269 1347 T C 0.872 175.467 174.700 -0.174 0.000 1.146 1347 T CA 1.179 63.289 62.100 0.016 0.000 1.091 1347 T CB -0.417 68.554 68.868 0.171 0.000 0.892 1347 T HN 0.433 nan 8.240 nan 0.000 0.533 1348 H N -1.418 117.596 119.070 -0.092 0.000 3.233 1348 H HA 0.533 5.087 4.556 -0.004 0.000 0.252 1348 H C 1.655 176.928 175.328 -0.092 0.000 1.175 1348 H CA 0.197 56.180 56.048 -0.109 0.000 1.018 1348 H CB 0.543 30.247 29.762 -0.097 0.000 2.006 1348 H HN 0.432 nan 8.280 nan 0.000 0.714 1349 A N 0.742 123.556 122.820 -0.011 0.000 2.119 1349 A HA 0.149 4.467 4.320 -0.004 0.000 0.217 1349 A C 2.141 179.693 177.584 -0.054 0.000 1.153 1349 A CA 1.306 53.328 52.037 -0.025 0.000 0.692 1349 A CB -0.083 18.908 19.000 -0.015 0.000 0.799 1349 A HN 0.313 nan 8.150 nan 0.000 0.458 1350 A N -0.832 121.932 122.820 -0.092 0.000 2.308 1350 A HA 0.465 4.783 4.320 -0.004 0.000 0.217 1350 A C 0.583 178.099 177.584 -0.114 0.000 1.216 1350 A CA 0.002 51.973 52.037 -0.109 0.000 0.864 1350 A CB -0.056 18.863 19.000 -0.135 0.000 0.902 1350 A HN 0.175 nan 8.150 nan 0.000 0.499 1351 V N 2.738 122.592 119.914 -0.100 0.000 2.470 1351 V HA 0.165 4.282 4.120 -0.004 0.000 0.276 1351 V C -2.180 173.887 176.094 -0.044 0.000 1.040 1351 V CA -1.384 60.874 62.300 -0.071 0.000 1.008 1351 V CB 0.601 32.419 31.823 -0.009 0.000 0.990 1351 V HN 0.276 nan 8.190 nan 0.000 0.477 1352 P HA -0.013 nan 4.420 nan 0.000 0.263 1352 P C 1.004 178.289 177.300 -0.025 0.000 1.175 1352 P CA 0.187 63.264 63.100 -0.039 0.000 0.761 1352 P CB 0.533 32.211 31.700 -0.037 0.000 0.794 1353 E N 2.416 122.600 120.200 -0.026 0.000 2.147 1353 E HA -0.285 4.063 4.350 -0.004 0.000 0.199 1353 E C 1.591 178.182 176.600 -0.015 0.000 1.005 1353 E CA 1.625 58.012 56.400 -0.021 0.000 0.810 1353 E CB -0.323 29.362 29.700 -0.024 0.000 0.736 1353 E HN 0.540 nan 8.360 nan 0.000 0.460 1354 N N 0.200 118.891 118.700 -0.014 0.000 2.137 1354 N HA -0.167 4.571 4.740 -0.004 0.000 0.190 1354 N C 1.778 177.286 175.510 -0.003 0.000 1.017 1354 N CA 1.300 54.344 53.050 -0.009 0.000 0.859 1354 N CB -0.029 38.453 38.487 -0.009 0.000 1.002 1354 N HN 0.120 nan 8.380 nan 0.000 0.428 1355 I N -0.831 119.738 120.570 -0.002 0.000 2.852 1355 I HA -0.034 4.134 4.170 -0.004 0.000 0.264 1355 I C 2.129 178.252 176.117 0.010 0.000 1.179 1355 I CA 0.222 61.527 61.300 0.008 0.000 1.480 1355 I CB -0.095 37.911 38.000 0.011 0.000 1.111 1355 I HN 0.230 nan 8.210 nan 0.000 0.441 1356 M N 1.048 120.650 119.600 0.003 0.000 2.159 1356 M HA -0.171 4.307 4.480 -0.004 0.000 0.263 1356 M C 2.323 178.616 176.300 -0.012 0.000 1.063 1356 M CA 1.928 57.226 55.300 -0.003 0.000 1.110 1356 M CB -0.155 32.438 32.600 -0.011 0.000 1.374 1356 M HN 0.009 nan 8.290 nan 0.000 0.411 1357 R N 0.025 120.520 120.500 -0.009 0.000 2.075 1357 R HA -0.055 4.283 4.340 -0.004 0.000 0.226 1357 R C 2.132 178.429 176.300 -0.005 0.000 1.114 1357 R CA 1.388 57.483 56.100 -0.009 0.000 0.972 1357 R CB -0.535 29.760 30.300 -0.007 0.000 0.869 1357 R HN 0.419 nan 8.270 nan 0.000 0.437 1358 K N 1.337 121.737 120.400 -0.000 0.000 2.400 1358 K HA -0.017 4.301 4.320 -0.004 0.000 0.194 1358 K C 1.362 177.966 176.600 0.006 0.000 1.033 1358 K CA 0.950 57.239 56.287 0.005 0.000 1.021 1358 K CB 0.361 32.866 32.500 0.009 0.000 0.808 1358 K HN 0.202 nan 8.250 nan 0.000 0.505 1359 Q N 0.279 120.081 119.800 0.002 0.000 2.297 1359 Q HA 0.000 4.338 4.340 -0.004 0.000 0.204 1359 Q C 0.511 176.500 176.000 -0.018 0.000 0.962 1359 Q CA 0.972 56.771 55.803 -0.007 0.000 0.879 1359 Q CB -0.009 28.719 28.738 -0.016 0.000 0.947 1359 Q HN 0.669 nan 8.270 nan 0.000 0.462 1360 G N 1.303 110.093 108.800 -0.016 0.000 2.160 1360 G HA2 -0.254 3.703 3.960 -0.004 0.000 0.244 1360 G HA3 -0.254 3.703 3.960 -0.004 0.000 0.244 1360 G C -0.072 174.810 174.900 -0.030 0.000 1.022 1360 G CA -0.144 44.948 45.100 -0.013 0.000 0.741 1360 G HN 0.276 nan 8.290 nan 0.000 0.508 1361 I N 2.074 122.610 120.570 -0.055 0.000 2.304 1361 I HA 0.488 4.655 4.170 -0.004 0.000 0.291 1361 I C 0.899 176.974 176.117 -0.070 0.000 1.018 1361 I CA 0.085 61.331 61.300 -0.090 0.000 1.260 1361 I CB 1.359 39.272 38.000 -0.145 0.000 1.390 1361 I HN 0.310 nan 8.210 nan 0.000 0.475 1362 T N 2.556 117.071 114.554 -0.065 0.000 2.916 1362 T HA 0.451 4.799 4.350 -0.004 0.000 0.292 1362 T C -2.290 172.389 174.700 -0.034 0.000 1.064 1362 T CA -2.047 60.032 62.100 -0.036 0.000 1.011 1362 T CB 2.006 70.874 68.868 0.000 0.000 1.152 1362 T HN 0.175 nan 8.240 nan 0.000 0.510 1363 P HA 0.061 nan 4.420 nan 0.000 0.228 1363 P C 0.684 178.213 177.300 0.382 0.000 1.151 1363 P CA 0.676 63.891 63.100 0.191 0.000 0.770 1363 P CB 0.011 31.776 31.700 0.107 0.000 0.786 1364 E N -1.003 119.311 120.200 0.191 0.000 2.481 1364 E HA 0.061 4.409 4.350 -0.004 0.000 0.195 1364 E C 0.396 177.046 176.600 0.084 0.000 1.047 1364 E CA 0.193 56.692 56.400 0.164 0.000 0.867 1364 E CB -0.358 29.406 29.700 0.108 0.000 0.858 1364 E HN 0.288 nan 8.360 nan 0.000 0.513 1365 L N 0.694 121.924 121.223 0.013 0.000 2.312 1365 L HA 0.391 4.728 4.340 -0.004 0.000 0.281 1365 L C -0.416 176.347 176.870 -0.179 0.000 1.070 1365 L CA -0.872 53.903 54.840 -0.109 0.000 0.805 1365 L CB 1.324 43.313 42.059 -0.118 0.000 1.174 1365 L HN -0.198 nan 8.230 nan 0.000 0.434 1366 V N 3.324 122.978 119.914 -0.433 0.000 2.540 1366 V HA 0.462 4.580 4.120 -0.004 0.000 0.302 1366 V C -0.169 175.554 176.094 -0.618 0.000 1.035 1366 V CA -0.718 61.270 62.300 -0.519 0.000 0.873 1366 V CB 2.103 33.447 31.823 -0.800 0.000 0.992 1366 V HN 0.695 nan 8.190 nan 0.000 0.428 1367 R N 3.899 124.219 120.500 -0.301 0.000 2.393 1367 R HA 0.696 5.034 4.340 -0.004 0.000 0.310 1367 R C -1.313 174.889 176.300 -0.164 0.000 0.968 1367 R CA -0.519 55.458 56.100 -0.206 0.000 0.867 1367 R CB 1.492 31.754 30.300 -0.064 0.000 1.124 1367 R HN 0.789 nan 8.270 nan 0.000 0.450 1368 I N 2.266 122.697 120.570 -0.233 0.000 2.474 1368 I HA 0.239 4.407 4.170 -0.004 0.000 0.294 1368 I C -0.890 175.082 176.117 -0.241 0.000 1.005 1368 I CA -0.328 60.863 61.300 -0.181 0.000 1.113 1368 I CB 2.114 40.050 38.000 -0.107 0.000 1.289 1368 I HN 0.566 nan 8.210 nan 0.000 0.436 1369 S N 6.965 122.592 115.700 -0.121 0.000 2.528 1369 S HA 0.413 4.881 4.470 -0.004 0.000 0.303 1369 S C -0.697 173.902 174.600 -0.002 0.000 1.123 1369 S CA -0.582 57.557 58.200 -0.102 0.000 1.138 1369 S CB 0.359 63.473 63.200 -0.143 0.000 0.984 1369 S HN 0.409 nan 8.310 nan 0.000 0.474 1370 V N 5.592 125.564 119.914 0.097 0.000 2.479 1370 V HA 0.408 4.525 4.120 -0.004 0.000 0.281 1370 V C 1.508 177.779 176.094 0.296 0.000 1.031 1370 V CA 0.242 62.654 62.300 0.188 0.000 1.038 1370 V CB 0.500 32.487 31.823 0.274 0.000 0.981 1370 V HN 0.894 nan 8.190 nan 0.000 0.478 1371 G N 3.869 112.795 108.800 0.209 0.000 2.509 1371 G HA2 0.437 4.395 3.960 -0.004 0.000 0.269 1371 G HA3 0.437 4.395 3.960 -0.004 0.000 0.269 1371 G C 0.634 175.566 174.900 0.053 0.000 1.416 1371 G CA -0.304 44.925 45.100 0.215 0.000 1.052 1371 G HN 0.914 nan 8.290 nan 0.000 0.542 1372 I N -2.181 118.331 120.570 -0.096 0.000 3.904 1372 I HA 0.373 4.540 4.170 -0.004 0.000 0.333 1372 I C -0.141 175.937 176.117 -0.065 0.000 1.361 1372 I CA -0.336 60.873 61.300 -0.152 0.000 1.116 1372 I CB -0.102 37.747 38.000 -0.252 0.000 1.028 1372 I HN 0.120 nan 8.210 nan 0.000 0.398 1373 E N 2.392 122.575 120.200 -0.029 0.000 2.458 1373 E HA -0.086 4.262 4.350 -0.004 0.000 0.264 1373 E C 0.044 176.635 176.600 -0.015 0.000 1.097 1373 E CA 0.173 56.563 56.400 -0.016 0.000 0.973 1373 E CB 0.127 29.824 29.700 -0.005 0.000 0.963 1373 E HN 0.390 nan 8.360 nan 0.000 0.451 1374 N N 0.839 119.530 118.700 -0.015 0.000 2.365 1374 N HA -0.123 4.615 4.740 -0.004 0.000 0.265 1374 N C 0.793 176.293 175.510 -0.018 0.000 1.288 1374 N CA 0.068 53.108 53.050 -0.016 0.000 0.869 1374 N CB 0.597 39.074 38.487 -0.017 0.000 1.071 1374 N HN 0.377 nan 8.380 nan 0.000 0.480 1375 V N 3.446 123.351 119.914 -0.015 0.000 2.392 1375 V HA -0.251 3.867 4.120 -0.004 0.000 0.249 1375 V C 1.111 177.173 176.094 -0.052 0.000 1.059 1375 V CA 2.132 64.421 62.300 -0.018 0.000 1.051 1375 V CB -0.450 31.370 31.823 -0.005 0.000 0.658 1375 V HN 0.786 nan 8.190 nan 0.000 0.455 1376 D N -0.143 120.223 120.400 -0.056 0.000 2.178 1376 D HA -0.143 4.494 4.640 -0.004 0.000 0.201 1376 D C 1.848 178.095 176.300 -0.088 0.000 0.980 1376 D CA 1.502 55.453 54.000 -0.082 0.000 0.842 1376 D CB -0.338 40.426 40.800 -0.060 0.000 0.948 1376 D HN 0.518 nan 8.370 nan 0.000 0.472 1377 D N 0.265 120.631 120.400 -0.058 0.000 2.144 1377 D HA -0.051 4.587 4.640 -0.004 0.000 0.200 1377 D C 2.293 178.560 176.300 -0.055 0.000 0.978 1377 D CA 0.340 54.310 54.000 -0.048 0.000 0.833 1377 D CB -0.138 40.645 40.800 -0.028 0.000 0.961 1377 D HN 0.284 nan 8.370 nan 0.000 0.470 1378 I N 0.495 121.034 120.570 -0.052 0.000 2.202 1378 I HA -0.194 3.974 4.170 -0.004 0.000 0.242 1378 I C 2.373 178.432 176.117 -0.097 0.000 1.091 1378 I CA 0.702 61.976 61.300 -0.043 0.000 1.368 1378 I CB -0.114 37.882 38.000 -0.006 0.000 1.058 1378 I HN -0.078 nan 8.210 nan 0.000 0.410 1379 I N 0.832 121.294 120.570 -0.180 0.000 2.226 1379 I HA -0.292 3.876 4.170 -0.004 0.000 0.245 1379 I C 2.762 178.650 176.117 -0.381 0.000 1.100 1379 I CA 1.397 62.452 61.300 -0.408 0.000 1.374 1379 I CB -0.444 37.213 38.000 -0.571 0.000 1.057 1379 I HN 0.189 nan 8.210 nan 0.000 0.413 1380 A N 0.130 122.814 122.820 -0.228 0.000 1.972 1380 A HA -0.289 4.029 4.320 -0.004 0.000 0.219 1380 A C 1.968 179.506 177.584 -0.078 0.000 1.169 1380 A CA 2.238 54.190 52.037 -0.142 0.000 0.635 1380 A CB -0.625 18.323 19.000 -0.087 0.000 0.810 1380 A HN 0.449 nan 8.150 nan 0.000 0.446 1381 D N -0.112 120.251 120.400 -0.062 0.000 2.097 1381 D HA -0.099 4.539 4.640 -0.004 0.000 0.197 1381 D C 1.837 178.138 176.300 0.001 0.000 0.984 1381 D CA 1.240 55.229 54.000 -0.017 0.000 0.826 1381 D CB -0.206 40.590 40.800 -0.008 0.000 0.973 1381 D HN 0.414 nan 8.370 nan 0.000 0.460 1382 L N 0.014 121.230 121.223 -0.013 0.000 2.056 1382 L HA -0.106 4.231 4.340 -0.004 0.000 0.207 1382 L C 2.598 179.505 176.870 0.061 0.000 1.078 1382 L CA 1.102 55.965 54.840 0.038 0.000 0.749 1382 L CB -0.423 41.682 42.059 0.077 0.000 0.901 1382 L HN 0.031 nan 8.230 nan 0.000 0.433 1383 K N 0.396 120.824 120.400 0.046 0.000 2.057 1383 K HA -0.254 4.064 4.320 -0.004 0.000 0.207 1383 K C 2.224 178.881 176.600 0.094 0.000 1.049 1383 K CA 1.766 58.140 56.287 0.145 0.000 0.931 1383 K CB 0.035 32.595 32.500 0.099 0.000 0.714 1383 K HN 0.365 nan 8.250 nan 0.000 0.440 1384 Q N 0.010 119.842 119.800 0.052 0.000 2.124 1384 Q HA -0.083 4.255 4.340 -0.004 0.000 0.202 1384 Q C 1.790 177.821 176.000 0.052 0.000 0.977 1384 Q CA 1.760 57.594 55.803 0.052 0.000 0.850 1384 Q CB -0.509 28.252 28.738 0.038 0.000 0.901 1384 Q HN 0.285 nan 8.270 nan 0.000 0.429 1385 A N 0.864 123.715 122.820 0.051 0.000 1.929 1385 A HA 0.048 4.366 4.320 -0.004 0.000 0.216 1385 A C 2.140 179.738 177.584 0.023 0.000 1.176 1385 A CA 0.993 53.062 52.037 0.053 0.000 0.628 1385 A CB -0.593 18.462 19.000 0.091 0.000 0.816 1385 A HN 0.393 nan 8.150 nan 0.000 0.444 1386 L N -0.959 120.270 121.223 0.010 0.000 2.201 1386 L HA -0.100 4.238 4.340 -0.004 0.000 0.212 1386 L C 1.813 178.710 176.870 0.045 0.000 1.105 1386 L CA 1.110 55.933 54.840 -0.028 0.000 0.775 1386 L CB -0.236 41.679 42.059 -0.239 0.000 0.913 1386 L HN 0.403 nan 8.230 nan 0.000 0.440 1387 E N -0.278 119.967 120.200 0.075 0.000 2.419 1387 E HA 0.159 4.507 4.350 -0.004 0.000 0.190 1387 E C 0.138 176.779 176.600 0.069 0.000 1.040 1387 E CA -0.322 56.137 56.400 0.097 0.000 0.900 1387 E CB 0.357 30.133 29.700 0.127 0.000 1.054 1387 E HN 0.326 nan 8.360 nan 0.000 0.462 1388 L N 1.699 122.941 121.223 0.033 0.000 2.485 1388 L HA -0.011 4.327 4.340 -0.004 0.000 0.275 1388 L C 0.955 177.867 176.870 0.071 0.000 1.207 1388 L CA -0.152 54.706 54.840 0.031 0.000 0.855 1388 L CB 0.306 42.317 42.059 -0.080 0.000 1.114 1388 L HN 0.343 nan 8.230 nan 0.000 0.485 1389 W N 0.000 121.268 121.300 -0.053 0.000 2.388 1389 W HA 0.000 4.658 4.660 -0.004 0.000 0.303 1389 W CA 0.000 57.319 57.345 -0.043 0.000 1.226 1389 W CB 0.000 29.438 29.460 -0.037 0.000 1.126 1389 W HN 0.000 nan 8.180 nan 0.000 0.535