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 3aej_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 0.000 177.586 177.584 0.003 0.000 1.274 1003 A CA 0.000 52.038 52.037 0.002 0.000 0.836 1003 A CB 0.000 19.000 19.000 0.001 0.000 0.831 1004 Q N 0.622 120.423 119.800 0.003 0.000 2.300 1004 Q HA 0.237 4.574 4.340 -0.004 0.000 0.280 1004 Q C -0.225 175.781 176.000 0.010 0.000 1.033 1004 Q CA 0.336 56.143 55.803 0.007 0.000 0.903 1004 Q CB 0.386 29.127 28.738 0.006 0.000 1.195 1004 Q HN 0.687 nan 8.270 nan 0.000 0.386 1005 D N 2.504 122.913 120.400 0.015 0.000 2.362 1005 D HA -0.027 4.610 4.640 -0.004 0.000 0.242 1005 D C 0.849 177.156 176.300 0.012 0.000 1.132 1005 D CA -0.271 53.737 54.000 0.013 0.000 0.907 1005 D CB 0.707 41.517 40.800 0.018 0.000 1.195 1005 D HN 0.604 nan 8.370 nan 0.000 0.429 1006 I N 2.105 122.674 120.570 -0.001 0.000 2.361 1006 I HA -0.208 3.960 4.170 -0.004 0.000 0.251 1006 I C 1.820 177.931 176.117 -0.010 0.000 1.133 1006 I CA 1.576 62.867 61.300 -0.014 0.000 1.413 1006 I CB -0.371 37.607 38.000 -0.038 0.000 1.073 1006 I HN 0.540 nan 8.210 nan 0.000 0.424 1007 T N -0.316 114.237 114.554 -0.002 0.000 2.746 1007 T HA -0.168 4.180 4.350 -0.004 0.000 0.267 1007 T C 1.783 176.501 174.700 0.030 0.000 1.039 1007 T CA 2.127 64.230 62.100 0.005 0.000 1.142 1007 T CB -0.699 68.176 68.868 0.012 0.000 0.866 1007 T HN 0.391 nan 8.240 nan 0.000 0.444 1008 T N 1.952 116.545 114.554 0.064 0.000 2.777 1008 T HA -0.102 4.246 4.350 -0.004 0.000 0.266 1008 T C 2.320 177.114 174.700 0.155 0.000 1.040 1008 T CA 1.574 63.763 62.100 0.149 0.000 1.141 1008 T CB -0.775 68.166 68.868 0.122 0.000 0.868 1008 T HN 0.402 nan 8.240 nan 0.000 0.444 1009 T N 2.564 117.161 114.554 0.072 0.000 2.684 1009 T HA 0.010 4.358 4.350 -0.004 0.000 0.267 1009 T C 1.964 176.675 174.700 0.019 0.000 1.036 1009 T CA 0.974 63.102 62.100 0.046 0.000 1.148 1009 T CB -0.472 68.401 68.868 0.008 0.000 0.863 1009 T HN 0.251 nan 8.240 nan 0.000 0.436 1010 L N 0.212 121.429 121.223 -0.011 0.000 2.156 1010 L HA 0.074 4.411 4.340 -0.004 0.000 0.208 1010 L C 2.282 179.109 176.870 -0.072 0.000 1.095 1010 L CA 0.876 55.691 54.840 -0.042 0.000 0.770 1010 L CB -0.419 41.613 42.059 -0.045 0.000 0.914 1010 L HN 0.252 nan 8.230 nan 0.000 0.439 1011 L N -1.253 119.909 121.223 -0.102 0.000 2.395 1011 L HA -0.048 4.289 4.340 -0.004 0.000 0.218 1011 L C 0.492 177.062 176.870 -0.500 0.000 1.130 1011 L CA 0.408 55.087 54.840 -0.268 0.000 0.826 1011 L CB -0.179 41.709 42.059 -0.285 0.000 0.941 1011 L HN 0.332 nan 8.230 nan 0.000 0.451 1012 H N -0.266 118.809 119.070 0.009 0.000 2.348 1012 H HA 0.322 4.876 4.556 -0.004 0.000 0.232 1012 H C -2.290 173.029 175.328 -0.014 0.000 1.419 1012 H CA -1.874 54.184 56.048 0.016 0.000 1.416 1012 H CB 0.320 30.102 29.762 0.033 0.000 1.510 1012 H HN 0.021 nan 8.280 nan 0.000 0.507 1013 P HA 0.093 nan 4.420 nan 0.000 0.275 1013 P C 0.443 177.725 177.300 -0.031 0.000 1.228 1013 P CA -0.336 62.747 63.100 -0.028 0.000 0.786 1013 P CB 1.610 33.262 31.700 -0.080 0.000 0.927 1014 K N 1.076 121.452 120.400 -0.041 0.000 2.276 1014 K HA 0.493 4.810 4.320 -0.004 0.000 0.259 1014 K C 0.503 177.059 176.600 -0.073 0.000 1.001 1014 K CA 0.435 56.696 56.287 -0.044 0.000 0.927 1014 K CB -0.118 32.359 32.500 -0.038 0.000 0.969 1014 K HN 0.873 nan 8.250 nan 0.000 0.490 1015 G N 1.589 110.353 108.800 -0.061 0.000 2.576 1015 G HA2 -0.109 3.849 3.960 -0.004 0.000 0.686 1015 G HA3 -0.109 3.849 3.960 -0.004 0.000 0.686 1015 G C -1.424 173.433 174.900 -0.071 0.000 1.242 1015 G CA -1.024 44.042 45.100 -0.057 0.000 0.819 1015 G HN 0.536 nan 8.290 nan 0.000 0.655 1016 D N 1.026 121.418 120.400 -0.014 0.000 2.362 1016 D HA 0.317 4.955 4.640 -0.004 0.000 0.242 1016 D C 0.846 177.143 176.300 -0.006 0.000 1.132 1016 D CA 0.138 54.135 54.000 -0.005 0.000 0.907 1016 D CB 0.369 41.191 40.800 0.037 0.000 1.195 1016 D HN 0.401 nan 8.370 nan 0.000 0.429 1017 H N -0.156 118.958 119.070 0.072 0.000 2.615 1017 H HA 0.200 4.753 4.556 -0.004 0.000 0.363 1017 H C -0.203 175.119 175.328 -0.009 0.000 1.148 1017 H CA -0.201 55.883 56.048 0.059 0.000 1.401 1017 H CB 0.965 30.741 29.762 0.024 0.000 1.461 1017 H HN -0.012 nan 8.280 nan 0.000 0.588 1018 V N 4.494 124.445 119.914 0.062 0.000 2.370 1018 V HA 0.002 4.120 4.120 -0.004 0.000 0.279 1018 V C 1.040 177.149 176.094 0.025 0.000 1.029 1018 V CA -0.466 61.837 62.300 0.005 0.000 0.870 1018 V CB 0.866 32.636 31.823 -0.090 0.000 0.984 1018 V HN 0.763 nan 8.190 nan 0.000 0.451 1019 L N 6.221 127.476 121.223 0.053 0.000 3.742 1019 L HA -0.280 4.057 4.340 -0.004 0.000 0.431 1019 L C 0.998 177.995 176.870 0.211 0.000 1.220 1019 L CA 0.465 55.379 54.840 0.123 0.000 0.863 1019 L CB -1.629 40.472 42.059 0.070 0.000 1.751 1019 L HN 1.076 nan 8.230 nan 0.000 0.922 1020 H N -2.595 116.511 119.070 0.059 0.000 3.179 1020 H HA -0.180 4.373 4.556 -0.004 0.000 0.250 1020 H C 1.106 176.445 175.328 0.018 0.000 1.142 1020 H CA 1.140 57.207 56.048 0.032 0.000 1.165 1020 H CB -1.049 28.715 29.762 0.003 0.000 1.253 1020 H HN 0.537 nan 8.280 nan 0.000 0.325 1021 S N -0.446 115.332 115.700 0.130 0.000 2.533 1021 S HA -0.029 4.439 4.470 -0.004 0.000 0.282 1021 S C 1.566 176.281 174.600 0.193 0.000 1.304 1021 S CA 0.093 58.365 58.200 0.120 0.000 1.063 1021 S CB 0.687 63.919 63.200 0.053 0.000 0.881 1021 S HN 0.562 nan 8.310 nan 0.000 0.493 1022 H N 3.888 123.004 119.070 0.076 0.000 2.307 1022 H HA 0.121 4.675 4.556 -0.004 0.000 0.303 1022 H C 0.932 176.382 175.328 0.204 0.000 1.073 1022 H CA 1.058 57.166 56.048 0.101 0.000 1.338 1022 H CB -0.227 29.567 29.762 0.052 0.000 1.389 1022 H HN 0.726 nan 8.280 nan 0.000 0.503 1023 A N 0.648 123.512 122.820 0.073 0.000 2.363 1023 A HA 0.155 4.472 4.320 -0.004 0.000 0.270 1023 A C -1.060 176.635 177.584 0.185 0.000 1.121 1023 A CA -0.316 51.772 52.037 0.085 0.000 0.800 1023 A CB -0.266 18.831 19.000 0.161 0.000 1.052 1023 A HN 0.521 nan 8.150 nan 0.000 0.493 1024 Y N 3.510 123.887 120.300 0.128 0.000 2.465 1024 Y HA 0.309 4.857 4.550 -0.004 0.000 0.331 1024 Y C -1.813 174.205 175.900 0.197 0.000 1.102 1024 Y CA -1.138 57.062 58.100 0.167 0.000 1.358 1024 Y CB 0.322 38.868 38.460 0.144 0.000 1.213 1024 Y HN 0.518 nan 8.280 nan 0.000 0.525 1025 P HA 0.077 nan 4.420 nan 0.000 0.269 1025 P C -0.872 176.440 177.300 0.019 0.000 1.215 1025 P CA 0.151 63.158 63.100 -0.155 0.000 0.780 1025 P CB 0.555 32.000 31.700 -0.425 0.000 0.898 1026 I N 2.137 122.620 120.570 -0.145 0.000 2.291 1026 I HA 0.161 4.329 4.170 -0.004 0.000 0.292 1026 I C 0.158 176.198 176.117 -0.128 0.000 1.064 1026 I CA -0.203 61.057 61.300 -0.066 0.000 1.269 1026 I CB -0.281 37.572 38.000 -0.245 0.000 1.418 1026 I HN 0.231 nan 8.210 nan 0.000 0.485 1027 F N 4.867 124.813 119.950 -0.007 0.000 2.661 1027 F HA 0.131 4.656 4.527 -0.003 0.000 0.356 1027 F C 1.150 176.902 175.800 -0.080 0.000 1.244 1027 F CA -0.335 57.642 58.000 -0.037 0.000 1.290 1027 F CB -0.018 39.005 39.000 0.038 0.000 1.677 1027 F HN 0.479 nan 8.300 nan 0.000 0.649 1028 Q N 2.405 122.179 119.800 -0.042 0.000 2.815 1028 Q HA 0.133 4.470 4.340 -0.004 0.000 0.235 1028 Q C -0.169 175.767 176.000 -0.107 0.000 1.354 1028 Q CA 0.184 55.945 55.803 -0.070 0.000 0.953 1028 Q CB 0.052 28.729 28.738 -0.101 0.000 1.613 1028 Q HN 0.439 nan 8.270 nan 0.000 0.572 1029 T N -0.344 114.139 114.554 -0.118 0.000 2.868 1029 T HA 0.496 4.844 4.350 -0.004 0.000 0.306 1029 T C 0.576 175.125 174.700 -0.251 0.000 1.224 1029 T CA 0.083 62.051 62.100 -0.218 0.000 1.012 1029 T CB 1.165 69.814 68.868 -0.366 0.000 1.221 1029 T HN 0.434 nan 8.240 nan 0.000 0.499 1030 S N 1.455 116.991 115.700 -0.274 0.000 2.444 1030 S HA 0.274 4.741 4.470 -0.004 0.000 0.223 1030 S C 1.027 175.373 174.600 -0.423 0.000 1.054 1030 S CA 0.324 58.318 58.200 -0.342 0.000 0.947 1030 S CB -0.208 62.888 63.200 -0.175 0.000 0.850 1030 S HN 0.740 nan 8.310 nan 0.000 0.527 1031 T N 0.311 114.730 114.554 -0.224 0.000 2.927 1031 T HA 0.711 5.059 4.350 -0.004 0.000 0.286 1031 T C -1.818 172.699 174.700 -0.306 0.000 1.040 1031 T CA -0.796 61.292 62.100 -0.021 0.000 1.010 1031 T CB 0.846 69.806 68.868 0.153 0.000 1.177 1031 T HN 0.196 nan 8.240 nan 0.000 0.546 1032 F N 0.333 120.244 119.950 -0.064 0.000 2.577 1032 F HA 0.554 5.079 4.527 -0.003 0.000 0.318 1032 F C 0.192 175.821 175.800 -0.283 0.000 1.065 1032 F CA -0.785 57.151 58.000 -0.107 0.000 0.929 1032 F CB 1.388 40.370 39.000 -0.030 0.000 1.237 1032 F HN 0.533 nan 8.300 nan 0.000 0.468 1033 C N 2.242 121.540 119.300 -0.003 0.000 2.463 1033 C HA 0.533 4.990 4.460 -0.004 0.000 0.380 1033 C C -0.330 174.645 174.990 -0.026 0.000 1.264 1033 C CA -0.804 58.157 59.018 -0.095 0.000 2.161 1033 C CB -0.524 27.224 27.740 0.014 0.000 2.515 1033 C HN 0.387 nan 8.230 nan 0.000 0.565 1034 F N 1.556 121.585 119.950 0.132 0.000 2.397 1034 F HA 0.278 4.803 4.527 -0.003 0.000 0.331 1034 F C 1.394 177.245 175.800 0.084 0.000 1.090 1034 F CA -0.668 57.398 58.000 0.110 0.000 1.065 1034 F CB 0.497 39.564 39.000 0.111 0.000 1.184 1034 F HN 0.582 nan 8.300 nan 0.000 0.499 1035 D N 0.198 120.769 120.400 0.284 0.000 2.149 1035 D HA -0.035 4.603 4.640 -0.004 0.000 0.201 1035 D C 0.547 176.929 176.300 0.137 0.000 0.972 1035 D CA 1.263 55.362 54.000 0.165 0.000 0.835 1035 D CB 0.214 41.085 40.800 0.119 0.000 0.966 1035 D HN 0.451 nan 8.370 nan 0.000 0.476 1036 S N -2.436 113.344 115.700 0.134 0.000 2.625 1036 S HA 0.224 4.691 4.470 -0.004 0.000 0.271 1036 S C 0.643 175.274 174.600 0.052 0.000 1.161 1036 S CA -0.417 57.834 58.200 0.084 0.000 0.820 1036 S CB 1.769 64.996 63.200 0.044 0.000 1.137 1036 S HN -0.100 nan 8.310 nan 0.000 0.470 1037 T N -0.125 114.448 114.554 0.033 0.000 2.833 1037 T HA -0.153 4.195 4.350 -0.004 0.000 0.269 1037 T C 1.659 176.316 174.700 -0.073 0.000 1.054 1037 T CA 2.374 64.469 62.100 -0.007 0.000 1.135 1037 T CB -0.553 68.321 68.868 0.010 0.000 0.869 1037 T HN 0.642 nan 8.240 nan 0.000 0.466 1038 Q N 0.565 120.335 119.800 -0.051 0.000 2.046 1038 Q HA -0.037 4.301 4.340 -0.004 0.000 0.200 1038 Q C 2.391 178.334 176.000 -0.095 0.000 0.975 1038 Q CA 1.651 57.418 55.803 -0.060 0.000 0.836 1038 Q CB -0.496 28.223 28.738 -0.031 0.000 0.896 1038 Q HN 0.517 nan 8.270 nan 0.000 0.428 1039 Q N -0.713 119.032 119.800 -0.091 0.000 2.135 1039 Q HA -0.128 4.210 4.340 -0.004 0.000 0.204 1039 Q C 1.751 177.583 176.000 -0.279 0.000 0.981 1039 Q CA 1.721 57.459 55.803 -0.107 0.000 0.856 1039 Q CB -0.415 28.310 28.738 -0.022 0.000 0.902 1039 Q HN 0.538 nan 8.270 nan 0.000 0.425 1040 G N 0.197 108.664 108.800 -0.556 0.000 2.394 1040 G HA2 -0.138 3.820 3.960 -0.004 0.000 0.215 1040 G HA3 -0.138 3.820 3.960 -0.004 0.000 0.215 1040 G C 1.515 176.135 174.900 -0.468 0.000 1.165 1040 G CA 0.929 45.242 45.100 -1.311 0.000 0.784 1040 G HN 0.485 nan 8.290 nan 0.000 0.535 1041 A N 1.130 123.810 122.820 -0.233 0.000 1.933 1041 A HA -0.045 4.273 4.320 -0.004 0.000 0.218 1041 A C 2.075 179.656 177.584 -0.005 0.000 1.175 1041 A CA 2.146 54.143 52.037 -0.066 0.000 0.628 1041 A CB -0.394 18.561 19.000 -0.075 0.000 0.814 1041 A HN 0.271 nan 8.150 nan 0.000 0.444 1042 D N -0.017 120.347 120.400 -0.060 0.000 2.117 1042 D HA -0.082 4.555 4.640 -0.004 0.000 0.198 1042 D C 1.860 178.138 176.300 -0.037 0.000 0.982 1042 D CA 0.846 54.822 54.000 -0.040 0.000 0.828 1042 D CB -0.321 40.447 40.800 -0.054 0.000 0.967 1042 D HN 0.435 nan 8.370 nan 0.000 0.464 1043 L N -0.585 120.589 121.223 -0.081 0.000 2.131 1043 L HA -0.122 4.216 4.340 -0.004 0.000 0.210 1043 L C 2.066 178.855 176.870 -0.135 0.000 1.092 1043 L CA 0.658 55.425 54.840 -0.121 0.000 0.759 1043 L CB -0.264 41.704 42.059 -0.152 0.000 0.903 1043 L HN -0.003 nan 8.230 nan 0.000 0.435 1044 F N -1.164 118.749 119.950 -0.063 0.000 2.259 1044 F HA -0.143 4.381 4.527 -0.004 0.000 0.298 1044 F C 2.436 178.221 175.800 -0.025 0.000 1.088 1044 F CA 0.813 58.800 58.000 -0.022 0.000 1.358 1044 F CB -0.113 38.873 39.000 -0.023 0.000 1.040 1044 F HN 0.017 nan 8.300 nan 0.000 0.505 1045 M N -0.946 118.729 119.600 0.126 0.000 2.394 1045 M HA 0.156 4.634 4.480 -0.004 0.000 0.264 1045 M C 2.007 178.315 176.300 0.013 0.000 1.073 1045 M CA 1.379 56.712 55.300 0.055 0.000 1.111 1045 M CB -1.262 31.353 32.600 0.025 0.000 1.401 1045 M HN 0.355 nan 8.290 nan 0.000 0.448 1046 G N 0.467 109.260 108.800 -0.011 0.000 2.201 1046 G HA2 -0.206 3.752 3.960 -0.004 0.000 0.212 1046 G HA3 -0.206 3.752 3.960 -0.004 0.000 0.212 1046 G C 0.107 174.978 174.900 -0.048 0.000 0.994 1046 G CA -0.160 44.917 45.100 -0.038 0.000 0.644 1046 G HN 0.349 nan 8.290 nan 0.000 0.508 1047 K N 0.746 121.122 120.400 -0.040 0.000 2.174 1047 K HA 0.625 4.942 4.320 -0.004 0.000 0.275 1047 K C 0.792 177.360 176.600 -0.054 0.000 1.015 1047 K CA 1.072 57.334 56.287 -0.042 0.000 0.933 1047 K CB 1.332 33.814 32.500 -0.031 0.000 1.025 1047 K HN 1.642 nan 8.250 nan 0.000 0.463 1048 G N 1.714 110.482 108.800 -0.053 0.000 2.730 1048 G HA2 -0.170 3.788 3.960 -0.004 0.000 0.686 1048 G HA3 -0.170 3.788 3.960 -0.004 0.000 0.686 1048 G C -1.214 173.638 174.900 -0.080 0.000 1.343 1048 G CA -0.919 44.148 45.100 -0.056 0.000 0.826 1048 G HN 0.495 nan 8.290 nan 0.000 0.582 1049 E N -0.027 120.126 120.200 -0.078 0.000 2.179 1049 E HA 0.671 5.018 4.350 -0.004 0.000 0.275 1049 E C 0.538 177.060 176.600 -0.129 0.000 0.945 1049 E CA 0.042 56.372 56.400 -0.116 0.000 0.792 1049 E CB 1.830 31.476 29.700 -0.090 0.000 1.125 1049 E HN 1.793 nan 8.360 nan 0.000 0.397 1050 G N 1.832 110.483 108.800 -0.248 0.000 2.368 1050 G HA2 0.051 4.009 3.960 -0.004 0.000 0.302 1050 G HA3 0.051 4.009 3.960 -0.004 0.000 0.302 1050 G C -1.697 172.896 174.900 -0.513 0.000 1.329 1050 G CA -1.023 43.918 45.100 -0.264 0.000 0.935 1050 G HN 0.527 nan 8.290 nan 0.000 0.590 1051 H N -1.397 117.474 119.070 -0.333 0.000 2.651 1051 H HA 0.782 5.336 4.556 -0.004 0.000 0.353 1051 H C 1.081 176.244 175.328 -0.274 0.000 1.178 1051 H CA -0.578 55.134 56.048 -0.561 0.000 1.224 1051 H CB 2.084 30.982 29.762 -1.440 0.000 1.702 1051 H HN 0.377 nan 8.280 nan 0.000 0.550 1052 I N -0.746 119.803 120.570 -0.034 0.000 3.518 1052 I HA 0.162 4.330 4.170 -0.004 0.000 0.260 1052 I C -0.832 175.525 176.117 0.400 0.000 1.148 1052 I CA 0.040 61.447 61.300 0.178 0.000 1.440 1052 I CB 0.764 38.727 38.000 -0.063 0.000 1.485 1052 I HN 0.354 nan 8.210 nan 0.000 0.456 1053 Y N -0.077 120.344 120.300 0.202 0.000 2.480 1053 Y HA 0.259 4.807 4.550 -0.004 0.000 0.329 1053 Y C 0.807 176.837 175.900 0.217 0.000 1.127 1053 Y CA -0.914 57.331 58.100 0.241 0.000 1.037 1053 Y CB 1.807 40.352 38.460 0.141 0.000 1.320 1053 Y HN -0.130 nan 8.280 nan 0.000 0.446 1054 S N 3.202 118.801 115.700 -0.168 0.000 2.420 1054 S HA -0.204 4.263 4.470 -0.004 0.000 0.237 1054 S C 1.911 176.484 174.600 -0.045 0.000 1.023 1054 S CA 1.804 59.965 58.200 -0.065 0.000 0.991 1054 S CB -0.176 62.928 63.200 -0.160 0.000 0.792 1054 S HN 0.736 nan 8.310 nan 0.000 0.488 1055 R N 0.813 121.295 120.500 -0.029 0.000 2.115 1055 R HA 0.037 4.375 4.340 -0.004 0.000 0.230 1055 R C 1.863 178.228 176.300 0.109 0.000 1.111 1055 R CA 1.016 57.178 56.100 0.103 0.000 0.976 1055 R CB -0.176 30.281 30.300 0.262 0.000 0.870 1055 R HN 0.379 nan 8.270 nan 0.000 0.445 1056 L N -1.279 120.031 121.223 0.146 0.000 2.162 1056 L HA 0.266 4.604 4.340 -0.004 0.000 0.205 1056 L C 0.907 177.799 176.870 0.037 0.000 1.086 1056 L CA 0.481 55.372 54.840 0.084 0.000 0.778 1056 L CB 0.130 42.229 42.059 0.067 0.000 0.928 1056 L HN 0.298 nan 8.230 nan 0.000 0.446 1057 G N 0.081 108.913 108.800 0.053 0.000 2.682 1057 G HA2 0.182 4.140 3.960 -0.004 0.000 0.300 1057 G HA3 0.182 4.140 3.960 -0.004 0.000 0.300 1057 G C -2.007 172.942 174.900 0.082 0.000 1.396 1057 G CA -0.486 44.648 45.100 0.057 0.000 1.104 1057 G HN -0.063 nan 8.290 nan 0.000 0.587 1058 N N 2.957 121.672 118.700 0.024 0.000 2.346 1058 N HA 0.459 5.196 4.740 -0.004 0.000 0.289 1058 N C -2.031 173.409 175.510 -0.118 0.000 1.027 1058 N CA -1.885 51.145 53.050 -0.033 0.000 0.864 1058 N CB 3.542 42.056 38.487 0.046 0.000 1.370 1058 N HN 0.034 nan 8.380 nan 0.000 0.481 1059 P HA -0.139 nan 4.420 nan 0.000 0.215 1059 P C 1.370 178.653 177.300 -0.028 0.000 1.157 1059 P CA 1.756 64.668 63.100 -0.313 0.000 0.874 1059 P CB 0.122 31.305 31.700 -0.861 0.000 0.790 1060 T N -1.708 112.968 114.554 0.203 0.000 2.867 1060 T HA -0.085 4.262 4.350 -0.004 0.000 0.268 1060 T C 1.706 176.467 174.700 0.101 0.000 1.057 1060 T CA 1.187 63.443 62.100 0.259 0.000 1.136 1060 T CB -0.949 68.191 68.868 0.452 0.000 0.874 1060 T HN -0.213 nan 8.240 nan 0.000 0.466 1061 V N 1.211 121.174 119.914 0.081 0.000 2.307 1061 V HA -0.082 4.036 4.120 -0.004 0.000 0.245 1061 V C 2.590 178.718 176.094 0.057 0.000 1.045 1061 V CA 2.106 64.454 62.300 0.079 0.000 1.024 1061 V CB -0.693 31.159 31.823 0.048 0.000 0.651 1061 V HN 0.562 nan 8.190 nan 0.000 0.449 1062 E N -0.471 119.722 120.200 -0.012 0.000 2.160 1062 E HA -0.243 4.105 4.350 -0.004 0.000 0.195 1062 E C 2.380 178.915 176.600 -0.108 0.000 0.991 1062 E CA 0.944 57.313 56.400 -0.051 0.000 0.810 1062 E CB -0.127 29.548 29.700 -0.042 0.000 0.742 1062 E HN 0.524 nan 8.360 nan 0.000 0.466 1063 Q N -0.109 119.583 119.800 -0.180 0.000 2.050 1063 Q HA -0.179 4.158 4.340 -0.004 0.000 0.202 1063 Q C 2.037 177.978 176.000 -0.099 0.000 0.980 1063 Q CA 1.267 56.910 55.803 -0.266 0.000 0.840 1063 Q CB -0.295 28.125 28.738 -0.530 0.000 0.898 1063 Q HN 0.362 nan 8.270 nan 0.000 0.424 1064 F N 1.698 121.565 119.950 -0.139 0.000 2.134 1064 F HA -0.196 4.329 4.527 -0.004 0.000 0.299 1064 F C 2.032 177.787 175.800 -0.075 0.000 1.097 1064 F CA 1.444 59.389 58.000 -0.092 0.000 1.264 1064 F CB 0.121 39.086 39.000 -0.058 0.000 1.001 1064 F HN 0.112 nan 8.300 nan 0.000 0.479 1065 E N -0.049 120.027 120.200 -0.207 0.000 2.085 1065 E HA -0.307 4.041 4.350 -0.004 0.000 0.194 1065 E C 2.001 178.451 176.600 -0.249 0.000 0.994 1065 E CA 1.491 57.731 56.400 -0.267 0.000 0.801 1065 E CB -0.270 29.362 29.700 -0.113 0.000 0.743 1065 E HN 0.421 nan 8.360 nan 0.000 0.453 1066 E N 0.956 121.043 120.200 -0.187 0.000 2.077 1066 E HA -0.189 4.159 4.350 -0.004 0.000 0.193 1066 E C 1.900 178.397 176.600 -0.171 0.000 0.989 1066 E CA 1.439 57.746 56.400 -0.154 0.000 0.800 1066 E CB -0.115 29.504 29.700 -0.136 0.000 0.746 1066 E HN 0.230 nan 8.360 nan 0.000 0.452 1067 M N -0.627 118.846 119.600 -0.212 0.000 2.117 1067 M HA -0.143 4.335 4.480 -0.004 0.000 0.262 1067 M C 2.190 178.347 176.300 -0.238 0.000 1.065 1067 M CA 1.332 56.514 55.300 -0.197 0.000 1.114 1067 M CB -0.159 32.341 32.600 -0.166 0.000 1.361 1067 M HN 0.043 nan 8.290 nan 0.000 0.408 1068 V N -0.529 119.156 119.914 -0.383 0.000 2.307 1068 V HA -0.298 3.820 4.120 -0.004 0.000 0.245 1068 V C 2.422 178.410 176.094 -0.177 0.000 1.045 1068 V CA 1.768 63.871 62.300 -0.327 0.000 1.024 1068 V CB -0.782 30.765 31.823 -0.460 0.000 0.651 1068 V HN 0.677 nan 8.190 nan 0.000 0.449 1069 C N 1.184 120.388 119.300 -0.160 0.000 2.403 1069 C HA -0.173 4.284 4.460 -0.004 0.000 0.279 1069 C C 3.285 178.232 174.990 -0.072 0.000 1.269 1069 C CA 1.691 60.655 59.018 -0.091 0.000 1.774 1069 C CB -1.203 26.486 27.740 -0.084 0.000 1.993 1069 C HN 0.791 nan 8.230 nan 0.000 0.496 1070 S N 0.713 116.360 115.700 -0.088 0.000 2.414 1070 S HA -0.027 4.441 4.470 -0.004 0.000 0.227 1070 S C 1.436 176.003 174.600 -0.056 0.000 1.022 1070 S CA 1.481 59.642 58.200 -0.065 0.000 0.958 1070 S CB -0.631 62.530 63.200 -0.066 0.000 0.797 1070 S HN 0.640 nan 8.310 nan 0.000 0.493 1071 I N 1.643 122.171 120.570 -0.070 0.000 2.406 1071 I HA 0.072 4.240 4.170 -0.004 0.000 0.249 1071 I C 2.499 178.594 176.117 -0.036 0.000 1.122 1071 I CA 0.864 62.128 61.300 -0.060 0.000 1.431 1071 I CB -0.482 37.468 38.000 -0.085 0.000 1.087 1071 I HN 0.093 nan 8.210 nan 0.000 0.424 1072 E N 1.496 121.679 120.200 -0.028 0.000 2.152 1072 E HA -0.015 4.333 4.350 -0.004 0.000 0.192 1072 E C 1.693 178.293 176.600 0.000 0.000 0.983 1072 E CA 1.033 57.435 56.400 0.004 0.000 0.818 1072 E CB -0.277 29.435 29.700 0.020 0.000 0.758 1072 E HN 0.572 nan 8.360 nan 0.000 0.467 1073 G N 1.493 110.285 108.800 -0.013 0.000 2.212 1073 G HA2 -0.227 3.731 3.960 -0.004 0.000 0.255 1073 G HA3 -0.227 3.731 3.960 -0.004 0.000 0.255 1073 G C 0.283 175.179 174.900 -0.007 0.000 1.062 1073 G CA 0.367 45.460 45.100 -0.011 0.000 0.815 1073 G HN 0.520 nan 8.290 nan 0.000 0.497 1074 A N -0.752 122.064 122.820 -0.007 0.000 2.242 1074 A HA 0.962 5.280 4.320 -0.004 0.000 0.304 1074 A C 1.564 179.145 177.584 -0.005 0.000 1.100 1074 A CA 0.507 52.544 52.037 0.000 0.000 0.860 1074 A CB 0.793 19.798 19.000 0.009 0.000 1.168 1074 A HN 1.662 nan 8.150 nan 0.000 0.503 1075 A N -0.813 122.008 122.820 0.003 0.000 2.072 1075 A HA 0.499 4.817 4.320 -0.004 0.000 0.216 1075 A C 1.062 178.645 177.584 -0.002 0.000 1.156 1075 A CA 1.419 53.456 52.037 0.000 0.000 0.701 1075 A CB -0.425 18.580 19.000 0.008 0.000 0.816 1075 A HN 2.172 nan 8.150 nan 0.000 0.458 1076 G N -2.421 106.382 108.800 0.005 0.000 2.489 1076 G HA2 0.488 4.445 3.960 -0.004 0.000 0.291 1076 G HA3 0.488 4.445 3.960 -0.004 0.000 0.291 1076 G C -1.283 173.624 174.900 0.011 0.000 1.487 1076 G CA 0.007 45.107 45.100 -0.001 0.000 0.795 1076 G HN 0.260 nan 8.290 nan 0.000 0.513 1077 S N -1.206 114.488 115.700 -0.010 0.000 2.548 1077 S HA 0.872 5.340 4.470 -0.004 0.000 0.286 1077 S C -0.274 174.320 174.600 -0.010 0.000 1.098 1077 S CA -0.084 58.116 58.200 -0.001 0.000 0.930 1077 S CB 1.871 65.033 63.200 -0.063 0.000 1.070 1077 S HN 1.681 nan 8.310 nan 0.000 0.480 1078 A N 1.476 124.311 122.820 0.027 0.000 2.330 1078 A HA 0.847 5.164 4.320 -0.004 0.000 0.313 1078 A C -0.202 177.247 177.584 -0.226 0.000 1.124 1078 A CA -0.667 51.295 52.037 -0.124 0.000 0.774 1078 A CB 0.832 19.761 19.000 -0.119 0.000 1.198 1078 A HN 1.017 nan 8.150 nan 0.000 0.465 1079 A N 1.786 124.439 122.820 -0.278 0.000 2.316 1079 A HA 0.860 5.178 4.320 -0.004 0.000 0.284 1079 A C -0.753 176.554 177.584 -0.462 0.000 1.115 1079 A CA -0.081 51.894 52.037 -0.102 0.000 0.812 1079 A CB 0.109 19.194 19.000 0.142 0.000 1.064 1079 A HN 0.743 nan 8.150 nan 0.000 0.489 1080 F N -0.483 119.556 119.950 0.149 0.000 2.650 1080 F HA 0.540 5.064 4.527 -0.004 0.000 0.320 1080 F C 1.471 177.318 175.800 0.079 0.000 1.091 1080 F CA -0.012 58.053 58.000 0.109 0.000 0.962 1080 F CB 1.877 40.946 39.000 0.115 0.000 1.363 1080 F HN 0.607 nan 8.300 nan 0.000 0.482 1081 G N -0.349 108.616 108.800 0.275 0.000 2.534 1081 G HA2 0.254 4.212 3.960 -0.004 0.000 0.217 1081 G HA3 0.254 4.212 3.960 -0.004 0.000 0.217 1081 G C -0.051 174.927 174.900 0.130 0.000 1.128 1081 G CA 0.925 46.115 45.100 0.151 0.000 0.784 1081 G HN 0.642 nan 8.290 nan 0.000 0.542 1082 S N -3.207 112.591 115.700 0.164 0.000 2.588 1082 S HA 0.535 5.003 4.470 -0.004 0.000 0.269 1082 S C 1.044 175.705 174.600 0.103 0.000 1.157 1082 S CA 0.239 58.502 58.200 0.106 0.000 0.824 1082 S CB 1.138 64.380 63.200 0.070 0.000 1.126 1082 S HN 0.365 nan 8.310 nan 0.000 0.464 1083 G N 0.818 109.655 108.800 0.061 0.000 2.442 1083 G HA2 -0.121 3.837 3.960 -0.004 0.000 0.219 1083 G HA3 -0.121 3.837 3.960 -0.004 0.000 0.219 1083 G C 1.120 176.015 174.900 -0.007 0.000 1.141 1083 G CA 1.013 46.134 45.100 0.035 0.000 0.763 1083 G HN 0.564 nan 8.290 nan 0.000 0.554 1084 M N 1.204 120.807 119.600 0.004 0.000 2.296 1084 M HA 0.043 4.521 4.480 -0.004 0.000 0.265 1084 M C 2.732 179.004 176.300 -0.047 0.000 1.064 1084 M CA 0.924 56.225 55.300 0.003 0.000 1.109 1084 M CB -1.498 31.132 32.600 0.050 0.000 1.396 1084 M HN 0.266 nan 8.290 nan 0.000 0.430 1085 G N -0.076 108.693 108.800 -0.052 0.000 2.402 1085 G HA2 -0.052 3.906 3.960 -0.004 0.000 0.216 1085 G HA3 -0.052 3.906 3.960 -0.004 0.000 0.216 1085 G C 1.673 176.216 174.900 -0.595 0.000 1.162 1085 G CA 1.065 46.090 45.100 -0.125 0.000 0.777 1085 G HN 0.529 nan 8.290 nan 0.000 0.539 1086 A N 0.710 123.145 122.820 -0.642 0.000 1.898 1086 A HA 0.093 4.410 4.320 -0.004 0.000 0.216 1086 A C 2.389 179.748 177.584 -0.375 0.000 1.181 1086 A CA 1.210 52.739 52.037 -0.846 0.000 0.620 1086 A CB -0.318 18.555 19.000 -0.212 0.000 0.819 1086 A HN 0.370 nan 8.150 nan 0.000 0.442 1087 I N -0.173 120.305 120.570 -0.152 0.000 2.252 1087 I HA -0.201 3.966 4.170 -0.004 0.000 0.245 1087 I C 2.596 178.699 176.117 -0.023 0.000 1.102 1087 I CA 1.404 62.701 61.300 -0.004 0.000 1.385 1087 I CB -0.263 37.733 38.000 -0.006 0.000 1.064 1087 I HN 0.208 nan 8.210 nan 0.000 0.414 1088 S N 0.177 115.832 115.700 -0.075 0.000 2.383 1088 S HA -0.122 4.346 4.470 -0.004 0.000 0.227 1088 S C 2.022 176.493 174.600 -0.215 0.000 1.026 1088 S CA 1.497 59.669 58.200 -0.047 0.000 0.981 1088 S CB -0.143 63.072 63.200 0.026 0.000 0.818 1088 S HN 0.362 nan 8.310 nan 0.000 0.472 1089 S N 0.968 116.510 115.700 -0.263 0.000 2.558 1089 S HA 0.170 4.638 4.470 -0.004 0.000 0.217 1089 S C 1.586 176.069 174.600 -0.194 0.000 0.975 1089 S CA 0.050 58.050 58.200 -0.332 0.000 0.912 1089 S CB 0.100 63.279 63.200 -0.034 0.000 0.776 1089 S HN 0.376 nan 8.310 nan 0.000 0.526 1090 S N 0.852 116.514 115.700 -0.063 0.000 2.517 1090 S HA 0.026 4.494 4.470 -0.004 0.000 0.214 1090 S C 1.992 176.746 174.600 0.257 0.000 0.991 1090 S CA 0.748 59.051 58.200 0.172 0.000 0.906 1090 S CB 0.232 63.539 63.200 0.178 0.000 0.789 1090 S HN 0.796 nan 8.310 nan 0.000 0.513 1091 T N -0.209 114.406 114.554 0.101 0.000 3.114 1091 T HA 0.294 4.642 4.350 -0.004 0.000 0.240 1091 T C 1.544 176.240 174.700 -0.007 0.000 0.983 1091 T CA -0.068 62.094 62.100 0.103 0.000 1.151 1091 T CB -0.616 68.297 68.868 0.075 0.000 0.974 1091 T HN 0.176 nan 8.240 nan 0.000 0.442 1092 L N 1.429 122.534 121.223 -0.197 0.000 2.552 1092 L HA 0.337 4.675 4.340 -0.004 0.000 0.227 1092 L C 2.891 179.453 176.870 -0.513 0.000 1.146 1092 L CA 0.550 55.219 54.840 -0.285 0.000 0.858 1092 L CB -0.390 41.536 42.059 -0.222 0.000 0.969 1092 L HN 0.440 nan 8.230 nan 0.000 0.451 1093 A N -0.681 121.711 122.820 -0.712 0.000 2.119 1093 A HA -0.037 4.281 4.320 -0.004 0.000 0.216 1093 A C 1.686 178.859 177.584 -0.686 0.000 1.152 1093 A CA 1.204 52.805 52.037 -0.727 0.000 0.708 1093 A CB -0.258 18.232 19.000 -0.850 0.000 0.805 1093 A HN 0.403 nan 8.150 nan 0.000 0.460 1094 F N -1.240 118.671 119.950 -0.064 0.000 2.619 1094 F HA 0.360 4.885 4.527 -0.004 0.000 0.281 1094 F C 0.528 176.319 175.800 -0.015 0.000 1.065 1094 F CA -0.428 57.565 58.000 -0.012 0.000 1.304 1094 F CB 0.036 39.033 39.000 -0.006 0.000 1.059 1094 F HN -0.141 nan 8.300 nan 0.000 0.648 1095 L N 2.816 124.119 121.223 0.133 0.000 2.380 1095 L HA 0.297 4.634 4.340 -0.004 0.000 0.273 1095 L C -0.167 176.733 176.870 0.049 0.000 1.138 1095 L CA -0.135 54.745 54.840 0.066 0.000 0.832 1095 L CB 0.760 42.828 42.059 0.015 0.000 1.124 1095 L HN 0.255 nan 8.230 nan 0.000 0.454 1096 Q N 2.433 122.264 119.800 0.053 0.000 2.605 1096 Q HA 0.395 4.733 4.340 -0.004 0.000 0.296 1096 Q C -0.943 175.093 176.000 0.059 0.000 1.056 1096 Q CA -1.198 54.637 55.803 0.053 0.000 0.778 1096 Q CB 1.760 30.527 28.738 0.049 0.000 1.497 1096 Q HN 0.313 nan 8.270 nan 0.000 0.443 1097 K N -0.329 120.110 120.400 0.066 0.000 2.504 1097 K HA 0.031 4.349 4.320 -0.004 0.000 0.278 1097 K C 0.546 177.175 176.600 0.048 0.000 1.025 1097 K CA 1.886 58.212 56.287 0.064 0.000 1.093 1097 K CB -0.594 31.944 32.500 0.062 0.000 0.873 1097 K HN 0.912 nan 8.250 nan 0.000 0.483 1098 G N 3.362 112.188 108.800 0.042 0.000 2.234 1098 G HA2 -0.200 3.758 3.960 -0.004 0.000 0.235 1098 G HA3 -0.200 3.758 3.960 -0.004 0.000 0.235 1098 G C -0.340 174.582 174.900 0.036 0.000 0.997 1098 G CA 0.125 45.245 45.100 0.033 0.000 0.623 1098 G HN 0.702 nan 8.290 nan 0.000 0.514 1099 D N 0.331 120.754 120.400 0.039 0.000 2.339 1099 D HA 0.543 5.180 4.640 -0.004 0.000 0.245 1099 D C 0.172 176.499 176.300 0.045 0.000 1.115 1099 D CA 0.106 54.127 54.000 0.035 0.000 0.917 1099 D CB 1.007 41.820 40.800 0.022 0.000 1.192 1099 D HN 0.381 nan 8.370 nan 0.000 0.428 1100 H N 0.510 119.522 119.070 -0.098 0.000 2.469 1100 H HA 0.526 5.080 4.556 -0.004 0.000 0.342 1100 H C -1.464 173.743 175.328 -0.201 0.000 1.115 1100 H CA -0.871 55.089 56.048 -0.146 0.000 1.204 1100 H CB 0.875 30.539 29.762 -0.164 0.000 1.492 1100 H HN 0.156 nan 8.280 nan 0.000 0.499 1101 L N 6.208 126.983 121.223 -0.747 0.000 2.333 1101 L HA 0.499 4.837 4.340 -0.004 0.000 0.280 1101 L C -1.414 174.943 176.870 -0.855 0.000 1.004 1101 L CA -0.351 54.079 54.840 -0.685 0.000 0.820 1101 L CB 0.843 42.591 42.059 -0.519 0.000 1.247 1101 L HN 0.691 nan 8.230 nan 0.000 0.416 1102 I N 5.249 125.433 120.570 -0.643 0.000 2.336 1102 I HA 0.728 4.896 4.170 -0.004 0.000 0.292 1102 I C 0.039 176.052 176.117 -0.173 0.000 0.991 1102 I CA -0.267 60.808 61.300 -0.376 0.000 1.227 1102 I CB 1.510 39.323 38.000 -0.311 0.000 1.366 1102 I HN 0.832 nan 8.210 nan 0.000 0.466 1103 A N 4.436 127.222 122.820 -0.057 0.000 2.515 1103 A HA 0.803 5.120 4.320 -0.004 0.000 0.296 1103 A C -0.075 177.594 177.584 0.142 0.000 1.094 1103 A CA -0.623 51.491 52.037 0.128 0.000 0.718 1103 A CB 1.230 20.374 19.000 0.241 0.000 1.307 1103 A HN 0.751 nan 8.150 nan 0.000 0.408 1104 G N 0.051 108.965 108.800 0.191 0.000 2.484 1104 G HA2 0.329 4.287 3.960 -0.004 0.000 0.235 1104 G HA3 0.329 4.287 3.960 -0.004 0.000 0.235 1104 G C 0.276 175.244 174.900 0.114 0.000 1.282 1104 G CA 0.544 45.721 45.100 0.128 0.000 0.857 1104 G HN 0.840 nan 8.290 nan 0.000 0.571 1105 D N -0.669 119.774 120.400 0.071 0.000 2.249 1105 D HA -0.028 4.610 4.640 -0.004 0.000 0.205 1105 D C 1.034 177.357 176.300 0.039 0.000 0.962 1105 D CA 0.696 54.728 54.000 0.053 0.000 0.860 1105 D CB -0.153 40.667 40.800 0.034 0.000 0.955 1105 D HN 0.209 nan 8.370 nan 0.000 0.505 1106 T N 1.122 115.695 114.554 0.032 0.000 2.832 1106 T HA 0.548 4.896 4.350 -0.004 0.000 0.313 1106 T C -0.058 174.660 174.700 0.030 0.000 1.035 1106 T CA -0.553 61.550 62.100 0.006 0.000 0.950 1106 T CB 0.568 69.426 68.868 -0.018 0.000 0.984 1106 T HN 0.043 nan 8.240 nan 0.000 0.486 1107 L N 1.552 122.808 121.223 0.056 0.000 2.277 1107 L HA 0.581 4.918 4.340 -0.004 0.000 0.254 1107 L C -0.443 176.531 176.870 0.174 0.000 1.044 1107 L CA -1.731 53.162 54.840 0.089 0.000 0.842 1107 L CB 1.241 43.332 42.059 0.053 0.000 1.422 1107 L HN 0.469 nan 8.230 nan 0.000 0.422 1108 Y N 0.468 120.787 120.300 0.031 0.000 2.702 1108 Y HA 0.091 4.638 4.550 -0.004 0.000 0.336 1108 Y C 1.222 177.074 175.900 -0.081 0.000 1.235 1108 Y CA 0.512 58.621 58.100 0.014 0.000 1.492 1108 Y CB 1.285 39.729 38.460 -0.026 0.000 1.308 1108 Y HN 0.675 nan 8.280 nan 0.000 0.589 1109 G N 3.166 111.323 108.800 -1.072 0.000 2.574 1109 G HA2 -0.341 3.616 3.960 -0.004 0.000 0.220 1109 G HA3 -0.341 3.616 3.960 -0.004 0.000 0.220 1109 G C 1.442 175.926 174.900 -0.693 0.000 1.173 1109 G CA 1.322 45.870 45.100 -0.920 0.000 0.772 1109 G HN 0.805 nan 8.290 nan 0.000 0.585 1110 C N 0.344 119.072 119.300 -0.954 0.000 2.468 1110 C HA 0.096 4.553 4.460 -0.004 0.000 0.277 1110 C C 3.177 178.048 174.990 -0.197 0.000 1.400 1110 C CA 1.201 60.000 59.018 -0.366 0.000 1.770 1110 C CB -0.934 26.738 27.740 -0.114 0.000 1.905 1110 C HN 0.469 nan 8.230 nan 0.000 0.519 1111 T N 1.169 115.595 114.554 -0.213 0.000 2.746 1111 T HA -0.135 4.213 4.350 -0.004 0.000 0.267 1111 T C 1.898 176.296 174.700 -0.503 0.000 1.039 1111 T CA 1.528 63.383 62.100 -0.408 0.000 1.142 1111 T CB -0.269 68.367 68.868 -0.387 0.000 0.866 1111 T HN 0.371 nan 8.240 nan 0.000 0.444 1112 V N 1.340 121.083 119.914 -0.286 0.000 2.332 1112 V HA -0.185 3.933 4.120 -0.004 0.000 0.248 1112 V C 2.712 178.769 176.094 -0.062 0.000 1.055 1112 V CA 1.987 64.207 62.300 -0.133 0.000 1.038 1112 V CB -0.890 30.883 31.823 -0.083 0.000 0.651 1112 V HN 0.496 nan 8.190 nan 0.000 0.450 1113 S N -0.222 115.424 115.700 -0.089 0.000 2.356 1113 S HA -0.197 4.271 4.470 -0.004 0.000 0.223 1113 S C 1.954 176.625 174.600 0.118 0.000 1.032 1113 S CA 2.010 60.198 58.200 -0.020 0.000 1.005 1113 S CB -0.358 62.819 63.200 -0.038 0.000 0.867 1113 S HN 0.450 nan 8.310 nan 0.000 0.449 1114 L N 0.610 121.925 121.223 0.153 0.000 2.046 1114 L HA 0.080 4.418 4.340 -0.004 0.000 0.208 1114 L C 2.008 179.123 176.870 0.409 0.000 1.077 1114 L CA 1.913 56.959 54.840 0.343 0.000 0.747 1114 L CB -0.707 41.455 42.059 0.171 0.000 0.896 1114 L HN 0.478 nan 8.230 nan 0.000 0.432 1115 F N -0.915 119.047 119.950 0.021 0.000 2.234 1115 F HA -0.156 4.369 4.527 -0.004 0.000 0.296 1115 F C 2.344 178.124 175.800 -0.032 0.000 1.089 1115 F CA 0.934 58.915 58.000 -0.031 0.000 1.343 1115 F CB -0.339 38.607 39.000 -0.089 0.000 1.040 1115 F HN 0.302 nan 8.300 nan 0.000 0.498 1116 T N -4.215 110.436 114.554 0.162 0.000 3.051 1116 T HA -0.080 4.268 4.350 -0.004 0.000 0.255 1116 T C 1.618 176.307 174.700 -0.020 0.000 1.085 1116 T CA 0.715 62.845 62.100 0.050 0.000 1.109 1116 T CB -0.250 68.637 68.868 0.032 0.000 0.921 1116 T HN 0.331 nan 8.240 nan 0.000 0.488 1117 H N -1.024 117.948 119.070 -0.164 0.000 2.430 1117 H HA 0.189 4.742 4.556 -0.004 0.000 0.297 1117 H C 1.428 176.470 175.328 -0.478 0.000 1.016 1117 H CA 0.371 56.182 56.048 -0.395 0.000 1.294 1117 H CB 0.118 29.517 29.762 -0.605 0.000 1.465 1117 H HN 0.427 nan 8.280 nan 0.000 0.547 1118 W N 1.249 122.508 121.300 -0.070 0.000 2.481 1118 W HA 0.073 4.731 4.660 -0.004 0.000 0.293 1118 W C 2.555 178.783 176.519 -0.485 0.000 1.201 1118 W CA 0.020 57.193 57.345 -0.286 0.000 1.328 1118 W CB -0.087 29.340 29.460 -0.056 0.000 1.112 1118 W HN 0.034 nan 8.180 nan 0.000 0.546 1119 L N 0.329 121.586 121.223 0.057 0.000 2.017 1119 L HA -0.152 4.186 4.340 -0.004 0.000 0.208 1119 L C -0.510 176.332 176.870 -0.046 0.000 1.073 1119 L CA 1.427 56.303 54.840 0.060 0.000 0.745 1119 L CB -2.403 39.681 42.059 0.042 0.000 0.894 1119 L HN -0.084 nan 8.230 nan 0.000 0.432 1120 P HA -0.128 nan 4.420 nan 0.000 0.220 1120 P C 1.432 178.641 177.300 -0.152 0.000 1.148 1120 P CA 1.233 64.264 63.100 -0.114 0.000 0.803 1120 P CB -0.078 31.539 31.700 -0.138 0.000 0.782 1121 R N -1.431 118.889 120.500 -0.300 0.000 2.148 1121 R HA 0.005 4.343 4.340 -0.004 0.000 0.227 1121 R C 1.390 177.609 176.300 -0.135 0.000 1.103 1121 R CA 0.964 56.874 56.100 -0.315 0.000 0.983 1121 R CB -0.548 29.451 30.300 -0.501 0.000 0.874 1121 R HN 0.298 nan 8.270 nan 0.000 0.451 1122 F N -0.388 119.595 119.950 0.054 0.000 2.645 1122 F HA 0.239 4.763 4.527 -0.004 0.000 0.300 1122 F C 1.363 177.180 175.800 0.029 0.000 1.115 1122 F CA -0.119 57.914 58.000 0.055 0.000 1.355 1122 F CB 0.881 39.926 39.000 0.077 0.000 1.026 1122 F HN 0.154 nan 8.300 nan 0.000 0.536 1123 G N 1.512 110.396 108.800 0.140 0.000 2.148 1123 G HA2 -0.323 3.635 3.960 -0.004 0.000 0.254 1123 G HA3 -0.323 3.635 3.960 -0.004 0.000 0.254 1123 G C 0.094 175.033 174.900 0.065 0.000 0.981 1123 G CA -0.235 44.915 45.100 0.082 0.000 0.670 1123 G HN 0.363 nan 8.290 nan 0.000 0.528 1124 I N 1.210 121.822 120.570 0.070 0.000 2.342 1124 I HA 0.300 4.467 4.170 -0.004 0.000 0.291 1124 I C 0.504 176.624 176.117 0.005 0.000 1.010 1124 I CA -0.555 60.767 61.300 0.037 0.000 1.308 1124 I CB 1.043 39.064 38.000 0.036 0.000 1.400 1124 I HN 0.105 nan 8.210 nan 0.000 0.488 1125 E N 5.549 125.766 120.200 0.029 0.000 2.259 1125 E HA 0.368 4.716 4.350 -0.004 0.000 0.281 1125 E C -1.034 175.593 176.600 0.046 0.000 1.037 1125 E CA -0.353 56.091 56.400 0.073 0.000 0.854 1125 E CB 1.504 31.291 29.700 0.145 0.000 1.051 1125 E HN 0.288 nan 8.360 nan 0.000 0.409 1126 V N 3.570 123.482 119.914 -0.002 0.000 2.588 1126 V HA 0.300 4.417 4.120 -0.004 0.000 0.304 1126 V C -0.590 175.494 176.094 -0.016 0.000 1.042 1126 V CA -0.914 61.321 62.300 -0.108 0.000 0.877 1126 V CB 2.069 33.804 31.823 -0.146 0.000 0.996 1126 V HN 0.642 nan 8.190 nan 0.000 0.425 1127 D N 3.797 124.168 120.400 -0.048 0.000 2.629 1127 D HA 0.496 5.133 4.640 -0.004 0.000 0.250 1127 D C -0.718 175.580 176.300 -0.002 0.000 1.126 1127 D CA -0.258 53.758 54.000 0.026 0.000 0.852 1127 D CB 2.579 43.455 40.800 0.126 0.000 1.335 1127 D HN 0.356 nan 8.370 nan 0.000 0.518 1128 L N 3.587 124.828 121.223 0.029 0.000 2.260 1128 L HA 0.416 4.754 4.340 -0.004 0.000 0.289 1128 L C -0.215 176.681 176.870 0.043 0.000 1.057 1128 L CA -0.418 54.451 54.840 0.049 0.000 0.811 1128 L CB 0.599 42.694 42.059 0.060 0.000 1.184 1128 L HN 0.143 nan 8.230 nan 0.000 0.429 1129 I N 1.964 122.562 120.570 0.047 0.000 2.608 1129 I HA 0.203 4.371 4.170 -0.004 0.000 0.295 1129 I C -0.164 175.981 176.117 0.047 0.000 1.049 1129 I CA -0.693 60.634 61.300 0.045 0.000 1.063 1129 I CB 2.014 40.044 38.000 0.050 0.000 1.248 1129 I HN 0.450 nan 8.210 nan 0.000 0.424 1130 D N 3.652 124.075 120.400 0.038 0.000 2.346 1130 D HA 0.021 4.658 4.640 -0.004 0.000 0.267 1130 D C 1.201 177.525 176.300 0.039 0.000 1.320 1130 D CA 0.221 54.240 54.000 0.033 0.000 0.951 1130 D CB 0.672 41.485 40.800 0.022 0.000 1.079 1130 D HN 0.660 nan 8.370 nan 0.000 0.509 1131 T N -0.521 114.059 114.554 0.043 0.000 3.129 1131 T HA -0.059 4.289 4.350 -0.004 0.000 0.251 1131 T C 1.721 176.443 174.700 0.036 0.000 1.117 1131 T CA 0.412 62.540 62.100 0.046 0.000 1.034 1131 T CB -0.200 68.698 68.868 0.051 0.000 0.968 1131 T HN 0.247 nan 8.240 nan 0.000 0.526 1132 S N 0.492 116.209 115.700 0.028 0.000 2.481 1132 S HA -0.019 4.448 4.470 -0.004 0.000 0.231 1132 S C 0.503 175.112 174.600 0.015 0.000 0.996 1132 S CA 0.208 58.419 58.200 0.019 0.000 0.942 1132 S CB -0.327 62.876 63.200 0.006 0.000 0.768 1132 S HN 0.476 nan 8.310 nan 0.000 0.520 1133 D N 0.842 121.254 120.400 0.020 0.000 2.440 1133 D HA 0.302 4.940 4.640 -0.004 0.000 0.239 1133 D C 0.686 177.005 176.300 0.031 0.000 1.084 1133 D CA -0.502 53.509 54.000 0.019 0.000 0.843 1133 D CB 1.721 42.530 40.800 0.016 0.000 1.097 1133 D HN -0.057 nan 8.370 nan 0.000 0.531 1134 V N 4.520 124.450 119.914 0.026 0.000 2.490 1134 V HA -0.153 3.964 4.120 -0.004 0.000 0.250 1134 V C 1.669 177.786 176.094 0.038 0.000 1.061 1134 V CA 1.723 64.042 62.300 0.032 0.000 1.064 1134 V CB -0.082 31.749 31.823 0.012 0.000 0.670 1134 V HN 0.490 nan 8.190 nan 0.000 0.461 1135 E N 0.100 120.316 120.200 0.027 0.000 2.150 1135 E HA -0.187 4.161 4.350 -0.004 0.000 0.193 1135 E C 2.197 178.825 176.600 0.047 0.000 0.985 1135 E CA 1.115 57.531 56.400 0.027 0.000 0.814 1135 E CB -0.232 29.477 29.700 0.015 0.000 0.752 1135 E HN 0.640 nan 8.360 nan 0.000 0.466 1136 K N 0.479 120.909 120.400 0.050 0.000 2.097 1136 K HA -0.047 4.271 4.320 -0.004 0.000 0.205 1136 K C 2.213 178.870 176.600 0.096 0.000 1.050 1136 K CA 0.895 57.219 56.287 0.061 0.000 0.938 1136 K CB -0.007 32.521 32.500 0.047 0.000 0.718 1136 K HN -0.051 nan 8.250 nan 0.000 0.442 1137 V N 1.873 121.855 119.914 0.115 0.000 2.358 1137 V HA -0.237 3.881 4.120 -0.004 0.000 0.246 1137 V C 2.036 178.311 176.094 0.302 0.000 1.047 1137 V CA 1.670 64.083 62.300 0.188 0.000 1.035 1137 V CB -0.381 31.556 31.823 0.190 0.000 0.658 1137 V HN 0.271 nan 8.190 nan 0.000 0.452 1138 K N 0.315 120.836 120.400 0.200 0.000 2.097 1138 K HA -0.079 4.238 4.320 -0.004 0.000 0.205 1138 K C 2.267 178.976 176.600 0.182 0.000 1.050 1138 K CA 1.393 57.776 56.287 0.160 0.000 0.938 1138 K CB -0.358 32.154 32.500 0.020 0.000 0.718 1138 K HN 0.477 nan 8.250 nan 0.000 0.442 1139 A N 1.108 124.009 122.820 0.134 0.000 2.015 1139 A HA -0.017 4.300 4.320 -0.004 0.000 0.219 1139 A C 2.161 179.821 177.584 0.127 0.000 1.163 1139 A CA 1.576 53.676 52.037 0.105 0.000 0.646 1139 A CB -0.322 18.718 19.000 0.068 0.000 0.806 1139 A HN 0.307 nan 8.150 nan 0.000 0.448 1140 A N -2.167 120.750 122.820 0.162 0.000 2.218 1140 A HA 0.142 4.459 4.320 -0.004 0.000 0.209 1140 A C 0.772 178.465 177.584 0.183 0.000 1.168 1140 A CA -0.418 51.706 52.037 0.144 0.000 0.804 1140 A CB -0.298 18.780 19.000 0.131 0.000 0.834 1140 A HN 0.645 nan 8.150 nan 0.000 0.482 1141 W N 1.830 123.166 121.300 0.060 0.000 2.181 1141 W HA 0.323 4.980 4.660 -0.004 0.000 0.335 1141 W C -0.386 176.144 176.519 0.018 0.000 1.310 1141 W CA 0.555 57.941 57.345 0.069 0.000 1.226 1141 W CB 0.464 29.948 29.460 0.041 0.000 1.155 1141 W HN 0.106 nan 8.180 nan 0.000 0.565 1142 K N 4.587 125.061 120.400 0.124 0.000 2.444 1142 K HA 0.254 4.572 4.320 -0.004 0.000 0.252 1142 K C -1.825 174.860 176.600 0.143 0.000 0.993 1142 K CA -1.633 54.686 56.287 0.053 0.000 0.847 1142 K CB 1.904 34.279 32.500 -0.209 0.000 1.340 1142 K HN -0.010 nan 8.250 nan 0.000 0.446 1143 P HA -0.179 nan 4.420 nan 0.000 0.219 1143 P C 0.349 177.704 177.300 0.093 0.000 1.146 1143 P CA 1.346 64.513 63.100 0.111 0.000 0.808 1143 P CB 0.083 31.820 31.700 0.060 0.000 0.779 1144 N N -2.159 116.567 118.700 0.044 0.000 2.268 1144 N HA 0.005 4.743 4.740 -0.004 0.000 0.204 1144 N C -0.458 175.078 175.510 0.042 0.000 1.124 1144 N CA 0.212 53.287 53.050 0.041 0.000 0.838 1144 N CB -1.016 37.486 38.487 0.024 0.000 0.994 1144 N HN -0.087 nan 8.380 nan 0.000 0.489 1145 T N 1.643 116.197 114.554 -0.000 0.000 2.784 1145 T HA 0.137 4.485 4.350 -0.004 0.000 0.291 1145 T C 0.988 175.614 174.700 -0.123 0.000 0.942 1145 T CA -0.107 61.888 62.100 -0.174 0.000 1.161 1145 T CB 1.242 69.650 68.868 -0.766 0.000 0.885 1145 T HN 0.129 nan 8.240 nan 0.000 0.534 1146 K N 2.325 122.642 120.400 -0.138 0.000 2.435 1146 K HA 0.319 4.637 4.320 -0.004 0.000 0.199 1146 K C 0.319 176.858 176.600 -0.103 0.000 1.153 1146 K CA 0.204 56.453 56.287 -0.063 0.000 0.974 1146 K CB 0.780 33.269 32.500 -0.020 0.000 0.997 1146 K HN 0.536 nan 8.250 nan 0.000 0.547 1147 M N 0.918 120.397 119.600 -0.202 0.000 2.421 1147 M HA 0.282 4.760 4.480 -0.004 0.000 0.287 1147 M C -1.879 174.277 176.300 -0.240 0.000 1.183 1147 M CA -0.675 54.521 55.300 -0.173 0.000 0.916 1147 M CB 2.502 35.028 32.600 -0.124 0.000 1.701 1147 M HN -0.305 nan 8.290 nan 0.000 0.470 1148 V N 3.998 123.832 119.914 -0.133 0.000 2.444 1148 V HA 0.415 4.533 4.120 -0.004 0.000 0.294 1148 V C -1.580 174.531 176.094 0.028 0.000 1.022 1148 V CA -0.580 61.668 62.300 -0.087 0.000 0.850 1148 V CB 1.668 33.466 31.823 -0.043 0.000 0.992 1148 V HN 0.766 nan 8.190 nan 0.000 0.426 1149 Y N 6.047 126.322 120.300 -0.042 0.000 2.328 1149 Y HA 0.742 5.290 4.550 -0.004 0.000 0.337 1149 Y C -0.717 175.228 175.900 0.074 0.000 0.966 1149 Y CA -0.655 57.479 58.100 0.057 0.000 1.136 1149 Y CB 1.236 39.813 38.460 0.194 0.000 1.170 1149 Y HN 0.519 nan 8.280 nan 0.000 0.470 1150 L N 5.787 126.841 121.223 -0.280 0.000 2.362 1150 L HA 0.552 4.890 4.340 -0.004 0.000 0.271 1150 L C -0.840 175.890 176.870 -0.233 0.000 1.002 1150 L CA -0.916 53.839 54.840 -0.143 0.000 0.818 1150 L CB 2.284 44.288 42.059 -0.092 0.000 1.298 1150 L HN 0.554 nan 8.230 nan 0.000 0.420 1151 E N 1.617 121.778 120.200 -0.065 0.000 2.158 1151 E HA 0.524 4.872 4.350 -0.004 0.000 0.271 1151 E C -1.172 175.403 176.600 -0.042 0.000 0.911 1151 E CA -0.340 56.021 56.400 -0.065 0.000 0.767 1151 E CB 2.314 32.000 29.700 -0.023 0.000 1.120 1151 E HN 0.405 nan 8.360 nan 0.000 0.405 1152 S N 3.623 119.305 115.700 -0.029 0.000 2.649 1152 S HA 0.381 4.849 4.470 -0.004 0.000 0.274 1152 S C -2.804 171.837 174.600 0.069 0.000 1.176 1152 S CA -1.346 56.866 58.200 0.020 0.000 0.988 1152 S CB 1.043 64.261 63.200 0.030 0.000 1.071 1152 S HN 0.179 nan 8.310 nan 0.000 0.478 1153 P HA 0.340 nan 4.420 nan 0.000 0.271 1153 P C -0.854 176.391 177.300 -0.093 0.000 1.216 1153 P CA -0.262 62.889 63.100 0.085 0.000 0.776 1153 P CB 0.542 32.340 31.700 0.163 0.000 0.881 1154 A N 2.776 125.530 122.820 -0.109 0.000 2.407 1154 A HA 0.182 4.500 4.320 -0.004 0.000 0.248 1154 A C 0.467 177.754 177.584 -0.495 0.000 1.082 1154 A CA -0.136 51.765 52.037 -0.226 0.000 0.785 1154 A CB -0.295 18.659 19.000 -0.076 0.000 1.020 1154 A HN 0.537 nan 8.150 nan 0.000 0.489 1155 N N 1.757 120.118 118.700 -0.565 0.000 2.422 1155 N HA 0.348 5.085 4.740 -0.004 0.000 0.264 1155 N C -2.162 173.287 175.510 -0.101 0.000 1.063 1155 N CA -1.973 50.799 53.050 -0.465 0.000 0.959 1155 N CB 1.290 39.653 38.487 -0.205 0.000 1.087 1155 N HN 0.287 nan 8.380 nan 0.000 0.483 1156 P HA 0.155 nan 4.420 nan 0.000 0.282 1156 P C 0.527 177.866 177.300 0.065 0.000 1.327 1156 P CA 0.206 63.336 63.100 0.050 0.000 0.949 1156 P CB 0.172 31.920 31.700 0.080 0.000 1.445 1157 T N -4.492 110.063 114.554 0.001 0.000 3.148 1157 T HA 0.011 4.358 4.350 -0.004 0.000 0.253 1157 T C 1.014 175.820 174.700 0.177 0.000 1.134 1157 T CA 0.274 62.425 62.100 0.085 0.000 1.051 1157 T CB -1.597 67.306 68.868 0.059 0.000 0.959 1157 T HN 0.045 nan 8.240 nan 0.000 0.525 1158 C N 0.762 120.135 119.300 0.122 0.000 4.326 1158 C HA -0.142 4.316 4.460 -0.004 0.000 0.284 1158 C C 0.737 175.900 174.990 0.288 0.000 1.419 1158 C CA 0.272 59.364 59.018 0.123 0.000 1.920 1158 C CB -2.673 25.029 27.740 -0.063 0.000 1.306 1158 C HN 0.792 nan 8.230 nan 0.000 0.786 1159 K N 0.780 121.343 120.400 0.273 0.000 2.491 1159 K HA 0.243 4.561 4.320 -0.004 0.000 0.279 1159 K C 0.062 176.774 176.600 0.187 0.000 1.026 1159 K CA 0.372 56.804 56.287 0.240 0.000 1.070 1159 K CB 0.459 33.022 32.500 0.105 0.000 0.887 1159 K HN 0.329 nan 8.250 nan 0.000 0.481 1160 V N 3.969 124.007 119.914 0.206 0.000 2.439 1160 V HA 0.204 4.321 4.120 -0.004 0.000 0.282 1160 V C -0.162 175.982 176.094 0.082 0.000 1.039 1160 V CA -0.542 61.852 62.300 0.158 0.000 0.913 1160 V CB 1.606 33.552 31.823 0.205 0.000 0.983 1160 V HN 0.789 nan 8.190 nan 0.000 0.460 1161 S N 2.241 117.979 115.700 0.063 0.000 2.537 1161 S HA 0.325 4.792 4.470 -0.004 0.000 0.301 1161 S C -0.344 174.276 174.600 0.034 0.000 1.092 1161 S CA -0.542 57.681 58.200 0.040 0.000 1.048 1161 S CB 1.519 64.737 63.200 0.030 0.000 1.053 1161 S HN 0.843 nan 8.310 nan 0.000 0.501 1162 D N 1.981 122.396 120.400 0.025 0.000 2.508 1162 D HA 0.206 4.844 4.640 -0.004 0.000 0.224 1162 D C 1.028 177.333 176.300 0.008 0.000 1.171 1162 D CA -0.178 53.832 54.000 0.017 0.000 1.006 1162 D CB -0.299 40.509 40.800 0.013 0.000 1.073 1162 D HN 0.436 nan 8.370 nan 0.000 0.513 1163 I N 2.186 122.760 120.570 0.006 0.000 2.163 1163 I HA -0.267 3.900 4.170 -0.004 0.000 0.243 1163 I C 2.456 178.564 176.117 -0.016 0.000 1.085 1163 I CA 0.874 62.169 61.300 -0.007 0.000 1.347 1163 I CB -0.083 37.914 38.000 -0.006 0.000 1.044 1163 I HN 0.288 nan 8.210 nan 0.000 0.408 1164 K N 0.966 121.363 120.400 -0.005 0.000 2.032 1164 K HA -0.176 4.141 4.320 -0.004 0.000 0.209 1164 K C 2.156 178.743 176.600 -0.022 0.000 1.048 1164 K CA 1.758 58.042 56.287 -0.004 0.000 0.927 1164 K CB -0.458 32.046 32.500 0.007 0.000 0.712 1164 K HN 0.425 nan 8.250 nan 0.000 0.441 1165 G N 0.901 109.691 108.800 -0.018 0.000 2.418 1165 G HA2 -0.218 3.740 3.960 -0.004 0.000 0.217 1165 G HA3 -0.218 3.740 3.960 -0.004 0.000 0.217 1165 G C 1.469 176.343 174.900 -0.044 0.000 1.158 1165 G CA 0.864 45.949 45.100 -0.026 0.000 0.771 1165 G HN 0.247 nan 8.290 nan 0.000 0.545 1166 I N 1.297 121.848 120.570 -0.032 0.000 2.353 1166 I HA -0.086 4.081 4.170 -0.004 0.000 0.248 1166 I C 3.261 179.325 176.117 -0.090 0.000 1.119 1166 I CA 0.716 62.005 61.300 -0.018 0.000 1.417 1166 I CB -0.167 37.849 38.000 0.026 0.000 1.078 1166 I HN 0.227 nan 8.210 nan 0.000 0.421 1167 A N 0.716 123.441 122.820 -0.159 0.000 1.917 1167 A HA -0.198 4.120 4.320 -0.004 0.000 0.219 1167 A C 2.450 179.630 177.584 -0.674 0.000 1.182 1167 A CA 2.069 53.860 52.037 -0.411 0.000 0.633 1167 A CB -1.077 17.762 19.000 -0.269 0.000 0.819 1167 A HN 0.238 nan 8.150 nan 0.000 0.448 1168 V N -0.202 119.537 119.914 -0.292 0.000 2.252 1168 V HA -0.293 3.825 4.120 -0.004 0.000 0.249 1168 V C 2.596 178.588 176.094 -0.170 0.000 1.056 1168 V CA 2.231 64.444 62.300 -0.145 0.000 1.022 1168 V CB -0.998 30.789 31.823 -0.060 0.000 0.641 1168 V HN 0.413 nan 8.190 nan 0.000 0.445 1169 V N -1.081 118.712 119.914 -0.202 0.000 2.332 1169 V HA -0.305 3.813 4.120 -0.004 0.000 0.248 1169 V C 2.516 178.426 176.094 -0.307 0.000 1.055 1169 V CA 2.186 64.294 62.300 -0.321 0.000 1.038 1169 V CB -1.047 30.544 31.823 -0.386 0.000 0.651 1169 V HN 0.648 nan 8.190 nan 0.000 0.450 1170 C N -0.176 119.061 119.300 -0.105 0.000 2.429 1170 C HA -0.163 4.294 4.460 -0.004 0.000 0.277 1170 C C 2.583 177.620 174.990 0.079 0.000 1.262 1170 C CA 1.222 60.301 59.018 0.103 0.000 1.733 1170 C CB -1.377 26.382 27.740 0.033 0.000 2.010 1170 C HN 0.668 nan 8.230 nan 0.000 0.483 1171 H N 0.038 119.121 119.070 0.022 0.000 2.428 1171 H HA -0.082 4.471 4.556 -0.004 0.000 0.296 1171 H C 2.156 177.475 175.328 -0.014 0.000 1.062 1171 H CA 1.097 57.147 56.048 0.004 0.000 1.350 1171 H CB 0.001 29.758 29.762 -0.008 0.000 1.403 1171 H HN 0.595 nan 8.280 nan 0.000 0.533 1172 E N 0.593 120.825 120.200 0.054 0.000 2.216 1172 E HA -0.033 4.315 4.350 -0.004 0.000 0.192 1172 E C 1.499 178.082 176.600 -0.028 0.000 0.988 1172 E CA 0.456 56.848 56.400 -0.014 0.000 0.834 1172 E CB 0.283 29.934 29.700 -0.082 0.000 0.772 1172 E HN 0.394 nan 8.360 nan 0.000 0.479 1173 R N -0.616 119.867 120.500 -0.029 0.000 2.432 1173 R HA 0.167 4.505 4.340 -0.004 0.000 0.260 1173 R C 0.489 176.888 176.300 0.165 0.000 0.935 1173 R CA 0.403 56.519 56.100 0.027 0.000 1.080 1173 R CB 1.182 31.412 30.300 -0.116 0.000 1.155 1173 R HN 0.127 nan 8.270 nan 0.000 0.531 1174 G N 1.306 110.193 108.800 0.145 0.000 2.256 1174 G HA2 -0.269 3.689 3.960 -0.004 0.000 0.272 1174 G HA3 -0.269 3.689 3.960 -0.004 0.000 0.272 1174 G C -0.149 174.848 174.900 0.162 0.000 1.076 1174 G CA 0.223 45.405 45.100 0.136 0.000 0.882 1174 G HN 0.454 nan 8.290 nan 0.000 0.497 1175 A N -0.322 122.629 122.820 0.219 0.000 2.330 1175 A HA 0.863 5.181 4.320 -0.004 0.000 0.327 1175 A C 0.425 178.064 177.584 0.091 0.000 1.155 1175 A CA -0.477 51.660 52.037 0.167 0.000 0.803 1175 A CB 0.924 20.086 19.000 0.271 0.000 1.208 1175 A HN 0.646 nan 8.150 nan 0.000 0.477 1176 R N 1.333 121.828 120.500 -0.008 0.000 2.389 1176 R HA 0.372 4.709 4.340 -0.004 0.000 0.295 1176 R C -1.075 175.196 176.300 -0.048 0.000 1.075 1176 R CA -0.378 55.680 56.100 -0.070 0.000 1.005 1176 R CB 0.377 30.541 30.300 -0.227 0.000 0.987 1176 R HN 0.611 nan 8.270 nan 0.000 0.452 1177 L N 5.823 127.031 121.223 -0.026 0.000 2.272 1177 L HA 0.360 4.698 4.340 -0.004 0.000 0.289 1177 L C -1.301 175.536 176.870 -0.054 0.000 1.032 1177 L CA -0.322 54.500 54.840 -0.031 0.000 0.810 1177 L CB 1.734 43.777 42.059 -0.027 0.000 1.205 1177 L HN 0.334 nan 8.230 nan 0.000 0.422 1178 V N 5.984 125.857 119.914 -0.069 0.000 2.417 1178 V HA 0.563 4.680 4.120 -0.004 0.000 0.291 1178 V C -0.396 175.528 176.094 -0.284 0.000 1.024 1178 V CA -0.671 61.564 62.300 -0.109 0.000 0.861 1178 V CB 1.784 33.619 31.823 0.020 0.000 0.985 1178 V HN 0.512 nan 8.190 nan 0.000 0.436 1179 V N 3.388 123.145 119.914 -0.261 0.000 2.487 1179 V HA 0.407 4.525 4.120 -0.004 0.000 0.298 1179 V C -0.419 175.474 176.094 -0.334 0.000 1.028 1179 V CA -0.597 61.515 62.300 -0.314 0.000 0.860 1179 V CB 2.025 33.747 31.823 -0.169 0.000 0.991 1179 V HN 0.891 nan 8.190 nan 0.000 0.427 1180 D N 4.122 124.284 120.400 -0.397 0.000 2.380 1180 D HA 0.423 5.060 4.640 -0.004 0.000 0.230 1180 D C 0.437 176.627 176.300 -0.184 0.000 1.154 1180 D CA -0.198 53.652 54.000 -0.251 0.000 0.859 1180 D CB 1.873 42.597 40.800 -0.127 0.000 1.045 1180 D HN 0.649 nan 8.370 nan 0.000 0.495 1181 A N 3.304 125.948 122.820 -0.294 0.000 2.545 1181 A HA 0.135 4.452 4.320 -0.004 0.000 0.277 1181 A C 1.750 179.389 177.584 0.091 0.000 1.301 1181 A CA -0.245 51.706 52.037 -0.143 0.000 0.935 1181 A CB -0.018 18.890 19.000 -0.154 0.000 1.093 1181 A HN 0.557 nan 8.150 nan 0.000 0.519 1182 T N -0.112 114.528 114.554 0.143 0.000 2.635 1182 T HA -0.199 4.148 4.350 -0.004 0.000 0.267 1182 T C 1.399 176.393 174.700 0.490 0.000 1.040 1182 T CA 1.880 64.208 62.100 0.381 0.000 1.156 1182 T CB -0.423 68.600 68.868 0.260 0.000 0.863 1182 T HN 0.462 nan 8.240 nan 0.000 0.430 1183 F N 1.603 121.674 119.950 0.203 0.000 2.250 1183 F HA -0.085 4.439 4.527 -0.004 0.000 0.301 1183 F C 2.523 178.413 175.800 0.149 0.000 1.077 1183 F CA 0.957 59.098 58.000 0.235 0.000 1.348 1183 F CB -0.574 38.517 39.000 0.151 0.000 1.040 1183 F HN 0.183 nan 8.300 nan 0.000 0.509 1184 T N -1.886 112.810 114.554 0.237 0.000 3.000 1184 T HA 0.168 4.515 4.350 -0.004 0.000 0.248 1184 T C 0.387 175.082 174.700 -0.008 0.000 1.034 1184 T CA 0.676 62.837 62.100 0.102 0.000 1.060 1184 T CB -0.171 68.806 68.868 0.182 0.000 0.983 1184 T HN 0.277 nan 8.240 nan 0.000 0.482 1185 S N 1.341 117.090 115.700 0.082 0.000 3.327 1185 S HA -0.067 4.401 4.470 -0.004 0.000 0.844 1185 S C -2.690 171.917 174.600 0.011 0.000 1.110 1185 S CA -0.182 58.016 58.200 -0.003 0.000 1.105 1185 S CB -1.210 61.865 63.200 -0.208 0.000 0.752 1185 S HN 0.170 nan 8.310 nan 0.000 0.279 1186 P HA 0.137 nan 4.420 nan 0.000 0.239 1186 P C 1.453 178.681 177.300 -0.120 0.000 1.184 1186 P CA 0.969 64.046 63.100 -0.038 0.000 0.760 1186 P CB -0.583 31.053 31.700 -0.107 0.000 0.884 1187 C N -1.726 117.412 119.300 -0.269 0.000 2.457 1187 C HA 0.024 4.481 4.460 -0.004 0.000 0.278 1187 C C 2.379 177.133 174.990 -0.392 0.000 1.309 1187 C CA 0.736 59.487 59.018 -0.446 0.000 1.735 1187 C CB -1.780 25.477 27.740 -0.806 0.000 1.992 1187 C HN 0.196 nan 8.230 nan 0.000 0.493 1188 F N -1.526 118.392 119.950 -0.054 0.000 2.680 1188 F HA 0.349 4.874 4.527 -0.004 0.000 0.290 1188 F C 0.432 176.201 175.800 -0.051 0.000 1.114 1188 F CA -0.360 57.594 58.000 -0.077 0.000 1.333 1188 F CB 0.291 39.219 39.000 -0.120 0.000 1.091 1188 F HN -0.029 nan 8.300 nan 0.000 0.606 1189 L N 1.487 122.794 121.223 0.141 0.000 2.343 1189 L HA 0.425 4.763 4.340 -0.004 0.000 0.278 1189 L C -0.893 176.028 176.870 0.084 0.000 0.996 1189 L CA -0.577 54.325 54.840 0.103 0.000 0.831 1189 L CB 1.269 43.395 42.059 0.112 0.000 1.232 1189 L HN -0.080 nan 8.230 nan 0.000 0.413 1190 K N 6.572 127.006 120.400 0.057 0.000 2.540 1190 K HA 0.370 4.688 4.320 -0.004 0.000 0.218 1190 K C -2.056 174.564 176.600 0.033 0.000 1.017 1190 K CA -1.440 54.875 56.287 0.047 0.000 1.029 1190 K CB 1.306 33.824 32.500 0.031 0.000 1.348 1190 K HN 0.338 nan 8.250 nan 0.000 0.508 1191 P HA -0.171 nan 4.420 nan 0.000 0.218 1191 P C 0.888 178.199 177.300 0.017 0.000 1.148 1191 P CA 1.071 64.176 63.100 0.008 0.000 0.822 1191 P CB 0.230 31.916 31.700 -0.023 0.000 0.784 1192 L N -0.673 120.563 121.223 0.021 0.000 2.265 1192 L HA -0.137 4.201 4.340 -0.004 0.000 0.215 1192 L C 2.160 179.045 176.870 0.025 0.000 1.117 1192 L CA 1.353 56.208 54.840 0.024 0.000 0.782 1192 L CB -0.883 41.187 42.059 0.019 0.000 0.914 1192 L HN 0.073 nan 8.230 nan 0.000 0.441 1193 E N 0.236 120.450 120.200 0.023 0.000 2.216 1193 E HA -0.075 4.273 4.350 -0.004 0.000 0.192 1193 E C 1.981 178.599 176.600 0.029 0.000 0.988 1193 E CA 0.607 57.020 56.400 0.021 0.000 0.834 1193 E CB 0.131 29.841 29.700 0.017 0.000 0.772 1193 E HN 0.503 nan 8.360 nan 0.000 0.479 1194 L N -0.724 120.519 121.223 0.033 0.000 2.592 1194 L HA 0.190 4.528 4.340 -0.004 0.000 0.227 1194 L C 1.316 178.223 176.870 0.062 0.000 1.127 1194 L CA 0.402 55.264 54.840 0.036 0.000 0.884 1194 L CB 0.389 42.462 42.059 0.022 0.000 1.065 1194 L HN 0.292 nan 8.230 nan 0.000 0.457 1195 G N -0.389 108.468 108.800 0.095 0.000 2.201 1195 G HA2 -0.209 3.748 3.960 -0.004 0.000 0.212 1195 G HA3 -0.209 3.748 3.960 -0.004 0.000 0.212 1195 G C 0.436 175.468 174.900 0.220 0.000 0.994 1195 G CA -0.154 45.078 45.100 0.220 0.000 0.644 1195 G HN 0.416 nan 8.290 nan 0.000 0.508 1196 A N 0.314 123.188 122.820 0.091 0.000 2.425 1196 A HA 0.541 4.858 4.320 -0.004 0.000 0.242 1196 A C 1.124 178.745 177.584 0.062 0.000 1.077 1196 A CA 0.963 53.031 52.037 0.053 0.000 0.781 1196 A CB 0.306 19.304 19.000 -0.004 0.000 1.020 1196 A HN 0.189 nan 8.150 nan 0.000 0.494 1197 D N 0.081 120.500 120.400 0.032 0.000 2.277 1197 D HA 0.163 4.801 4.640 -0.004 0.000 0.209 1197 D C -0.035 176.255 176.300 -0.016 0.000 0.970 1197 D CA 1.256 55.257 54.000 0.002 0.000 0.874 1197 D CB 0.285 41.063 40.800 -0.036 0.000 0.982 1197 D HN 0.488 nan 8.370 nan 0.000 0.504 1198 I N 0.737 121.293 120.570 -0.023 0.000 2.512 1198 I HA 0.359 4.526 4.170 -0.004 0.000 0.287 1198 I C -0.942 175.165 176.117 -0.017 0.000 1.069 1198 I CA -0.768 60.531 61.300 -0.000 0.000 1.056 1198 I CB 2.371 40.380 38.000 0.015 0.000 1.229 1198 I HN -0.223 nan 8.210 nan 0.000 0.429 1199 A N 7.275 130.095 122.820 0.001 0.000 2.288 1199 A HA 0.903 5.220 4.320 -0.004 0.000 0.320 1199 A C -0.866 176.701 177.584 -0.028 0.000 1.217 1199 A CA -0.403 51.610 52.037 -0.040 0.000 0.840 1199 A CB 0.918 19.916 19.000 -0.003 0.000 1.179 1199 A HN 0.625 nan 8.150 nan 0.000 0.504 1200 L N 0.049 121.185 121.223 -0.145 0.000 2.327 1200 L HA 0.841 5.178 4.340 -0.004 0.000 0.258 1200 L C -0.622 176.059 176.870 -0.315 0.000 1.024 1200 L CA -0.509 54.285 54.840 -0.076 0.000 0.825 1200 L CB 1.698 43.773 42.059 0.026 0.000 1.386 1200 L HN 0.653 nan 8.230 nan 0.000 0.417 1201 H N -0.503 118.631 119.070 0.107 0.000 3.012 1201 H HA 0.361 4.915 4.556 -0.004 0.000 0.367 1201 H C -1.233 174.161 175.328 0.111 0.000 1.211 1201 H CA -0.760 55.355 56.048 0.111 0.000 1.139 1201 H CB 2.340 32.177 29.762 0.126 0.000 1.838 1201 H HN 0.778 nan 8.280 nan 0.000 0.550 1202 S N 1.553 117.376 115.700 0.204 0.000 2.400 1202 S HA 0.127 4.595 4.470 -0.004 0.000 0.295 1202 S C 1.249 175.947 174.600 0.163 0.000 1.113 1202 S CA -0.588 57.688 58.200 0.128 0.000 1.064 1202 S CB -0.109 63.097 63.200 0.009 0.000 0.990 1202 S HN 0.409 nan 8.310 nan 0.000 0.502 1203 V N 4.776 124.797 119.914 0.179 0.000 2.759 1203 V HA -0.071 4.047 4.120 -0.004 0.000 0.256 1203 V C 1.595 177.731 176.094 0.071 0.000 1.080 1203 V CA 0.990 63.386 62.300 0.159 0.000 1.101 1203 V CB -1.103 30.837 31.823 0.195 0.000 0.698 1203 V HN 0.829 nan 8.190 nan 0.000 0.477 1207 I N 1.118 121.783 120.570 0.158 0.000 2.118 1207 I HA -0.363 3.804 4.170 -0.004 0.000 0.241 1207 I C 2.142 178.334 176.117 0.126 0.000 1.070 1207 I CA 2.554 63.918 61.300 0.107 0.000 1.327 1207 I CB -0.268 37.787 38.000 0.092 0.000 1.034 1207 I HN 0.344 nan 8.210 nan 0.000 0.405 1208 N N 0.379 119.139 118.700 0.100 0.000 2.062 1208 N HA -0.121 4.617 4.740 -0.004 0.000 0.191 1208 N C 1.486 177.107 175.510 0.186 0.000 1.042 1208 N CA 2.215 55.317 53.050 0.086 0.000 0.845 1208 N CB -0.157 38.341 38.487 0.019 0.000 1.024 1208 N HN 0.405 nan 8.380 nan 0.000 0.424 1209 G N -1.743 107.119 108.800 0.103 0.000 2.205 1209 G HA2 -0.306 3.651 3.960 -0.004 0.000 0.261 1209 G HA3 -0.306 3.651 3.960 -0.004 0.000 0.261 1209 G C 0.555 175.394 174.900 -0.102 0.000 0.980 1209 G CA 0.946 46.064 45.100 0.029 0.000 0.632 1209 G HN 0.607 nan 8.290 nan 0.000 0.533 1210 H N -0.300 118.765 119.070 -0.007 0.000 2.652 1210 H HA 0.443 4.997 4.556 -0.004 0.000 0.274 1210 H C 1.989 177.307 175.328 -0.016 0.000 1.021 1210 H CA 0.802 56.845 56.048 -0.008 0.000 1.187 1210 H CB 0.567 30.320 29.762 -0.014 0.000 1.505 1210 H HN 1.209 nan 8.280 nan 0.000 0.530 1211 G N 1.736 110.567 108.800 0.051 0.000 2.225 1211 G HA2 -0.334 3.623 3.960 -0.004 0.000 0.267 1211 G HA3 -0.334 3.623 3.960 -0.004 0.000 0.267 1211 G C 0.430 175.345 174.900 0.025 0.000 1.024 1211 G CA 0.913 46.021 45.100 0.013 0.000 0.784 1211 G HN 0.616 nan 8.290 nan 0.000 0.507 1212 D N -1.623 118.800 120.400 0.037 0.000 2.469 1212 D HA 0.381 5.019 4.640 -0.004 0.000 0.213 1212 D C 0.733 177.038 176.300 0.009 0.000 1.135 1212 D CA 0.417 54.431 54.000 0.024 0.000 0.834 1212 D CB 0.660 41.479 40.800 0.032 0.000 1.009 1212 D HN 1.045 nan 8.370 nan 0.000 0.507 1213 V N 0.487 120.400 119.914 -0.000 0.000 2.760 1213 V HA 0.453 4.571 4.120 -0.004 0.000 0.309 1213 V C -1.561 174.528 176.094 -0.009 0.000 1.077 1213 V CA -1.110 61.182 62.300 -0.012 0.000 0.910 1213 V CB 2.139 33.939 31.823 -0.039 0.000 1.008 1213 V HN -0.035 nan 8.190 nan 0.000 0.424 1214 I N 5.938 126.508 120.570 -0.000 0.000 2.325 1214 I HA 0.772 4.939 4.170 -0.004 0.000 0.291 1214 I C 0.771 176.901 176.117 0.021 0.000 1.019 1214 I CA 0.375 61.682 61.300 0.012 0.000 1.302 1214 I CB 0.480 38.493 38.000 0.022 0.000 1.401 1214 I HN 0.938 nan 8.210 nan 0.000 0.485 1215 G N 3.571 112.393 108.800 0.037 0.000 2.677 1215 G HA2 0.725 4.682 3.960 -0.004 0.000 0.291 1215 G HA3 0.725 4.682 3.960 -0.004 0.000 0.291 1215 G C -1.201 173.784 174.900 0.141 0.000 1.435 1215 G CA -0.657 44.487 45.100 0.073 0.000 0.826 1215 G HN 0.815 nan 8.290 nan 0.000 0.491 1216 G N -1.583 107.363 108.800 0.243 0.000 2.667 1216 G HA2 0.744 4.702 3.960 -0.004 0.000 0.298 1216 G HA3 0.744 4.702 3.960 -0.004 0.000 0.298 1216 G C -1.807 173.386 174.900 0.488 0.000 1.377 1216 G CA -0.537 44.752 45.100 0.315 0.000 0.964 1216 G HN 1.403 nan 8.290 nan 0.000 0.493 1217 V N 0.146 120.332 119.914 0.454 0.000 2.925 1217 V HA 0.880 4.997 4.120 -0.004 0.000 0.311 1217 V C -0.771 175.562 176.094 0.399 0.000 1.104 1217 V CA -0.592 61.983 62.300 0.457 0.000 0.954 1217 V CB 2.376 34.385 31.823 0.309 0.000 1.022 1217 V HN 1.010 nan 8.190 nan 0.000 0.427 1218 S N 3.291 119.242 115.700 0.419 0.000 2.571 1218 S HA 0.787 5.254 4.470 -0.004 0.000 0.284 1218 S C -0.901 173.833 174.600 0.222 0.000 1.128 1218 S CA -0.377 58.011 58.200 0.313 0.000 0.970 1218 S CB 1.761 65.190 63.200 0.381 0.000 1.039 1218 S HN 0.880 nan 8.310 nan 0.000 0.485 1219 S N 2.413 118.204 115.700 0.152 0.000 2.513 1219 S HA 0.875 5.342 4.470 -0.004 0.000 0.299 1219 S C -0.694 173.960 174.600 0.090 0.000 1.087 1219 S CA -0.639 57.622 58.200 0.101 0.000 1.012 1219 S CB 1.693 64.936 63.200 0.071 0.000 1.044 1219 S HN 0.998 nan 8.310 nan 0.000 0.485 1220 A N 1.597 124.464 122.820 0.079 0.000 2.365 1220 A HA 0.588 4.906 4.320 -0.004 0.000 0.318 1220 A C 0.731 178.339 177.584 0.039 0.000 1.091 1220 A CA -0.722 51.356 52.037 0.068 0.000 0.763 1220 A CB 1.067 20.131 19.000 0.106 0.000 1.248 1220 A HN 0.853 nan 8.150 nan 0.000 0.442 1221 K N 0.410 120.823 120.400 0.023 0.000 2.280 1221 K HA -0.027 4.291 4.320 -0.004 0.000 0.202 1221 K C -0.002 176.603 176.600 0.008 0.000 1.047 1221 K CA 1.362 57.655 56.287 0.009 0.000 0.942 1221 K CB 0.046 32.545 32.500 -0.001 0.000 0.739 1221 K HN 0.696 nan 8.250 nan 0.000 0.457 1222 T N -1.101 113.466 114.554 0.021 0.000 2.887 1222 T HA 0.397 4.745 4.350 -0.004 0.000 0.288 1222 T C 0.365 175.090 174.700 0.042 0.000 1.021 1222 T CA -0.320 61.794 62.100 0.024 0.000 1.000 1222 T CB 1.877 70.758 68.868 0.021 0.000 1.034 1222 T HN 0.122 nan 8.240 nan 0.000 0.467 1223 A N 1.466 124.304 122.820 0.030 0.000 1.898 1223 A HA -0.042 4.276 4.320 -0.004 0.000 0.216 1223 A C 2.025 179.638 177.584 0.049 0.000 1.181 1223 A CA 1.540 53.596 52.037 0.031 0.000 0.620 1223 A CB -0.499 18.509 19.000 0.012 0.000 0.819 1223 A HN 0.924 nan 8.150 nan 0.000 0.442 1224 E N -0.287 119.944 120.200 0.053 0.000 2.110 1224 E HA -0.243 4.104 4.350 -0.004 0.000 0.193 1224 E C 1.172 177.855 176.600 0.138 0.000 0.988 1224 E CA 1.445 57.887 56.400 0.070 0.000 0.804 1224 E CB -0.112 29.625 29.700 0.062 0.000 0.745 1224 E HN 0.521 nan 8.360 nan 0.000 0.458 1225 D N 0.263 120.766 120.400 0.171 0.000 2.123 1225 D HA -0.120 4.517 4.640 -0.004 0.000 0.200 1225 D C 1.831 178.320 176.300 0.316 0.000 0.976 1225 D CA 0.519 54.707 54.000 0.312 0.000 0.831 1225 D CB -0.118 40.791 40.800 0.182 0.000 0.974 1225 D HN 0.201 nan 8.370 nan 0.000 0.469 1226 I N 0.622 121.306 120.570 0.190 0.000 2.439 1226 I HA -0.083 4.085 4.170 -0.004 0.000 0.251 1226 I C 1.969 178.171 176.117 0.140 0.000 1.139 1226 I CA 0.649 62.047 61.300 0.164 0.000 1.438 1226 I CB -0.290 37.772 38.000 0.104 0.000 1.085 1226 I HN -0.088 nan 8.210 nan 0.000 0.427 1227 A N -0.883 122.004 122.820 0.111 0.000 1.930 1227 A HA -0.169 4.149 4.320 -0.004 0.000 0.217 1227 A C 2.315 179.973 177.584 0.125 0.000 1.175 1227 A CA 2.246 54.336 52.037 0.087 0.000 0.627 1227 A CB -1.227 17.794 19.000 0.034 0.000 0.815 1227 A HN 0.435 nan 8.150 nan 0.000 0.443 1228 T N 0.358 114.986 114.554 0.122 0.000 2.777 1228 T HA -0.064 4.283 4.350 -0.004 0.000 0.266 1228 T C 1.792 176.547 174.700 0.092 0.000 1.040 1228 T CA 1.453 63.606 62.100 0.089 0.000 1.141 1228 T CB -0.393 68.446 68.868 -0.049 0.000 0.868 1228 T HN 0.425 nan 8.240 nan 0.000 0.444 1229 I N 0.792 121.428 120.570 0.109 0.000 2.179 1229 I HA -0.194 3.974 4.170 -0.004 0.000 0.242 1229 I C 2.533 178.815 176.117 0.274 0.000 1.088 1229 I CA 1.426 62.838 61.300 0.187 0.000 1.357 1229 I CB -0.279 37.899 38.000 0.297 0.000 1.051 1229 I HN 0.174 nan 8.210 nan 0.000 0.409 1230 K N -0.066 120.463 120.400 0.215 0.000 2.148 1230 K HA -0.175 4.143 4.320 -0.004 0.000 0.204 1230 K C 2.091 178.816 176.600 0.208 0.000 1.050 1230 K CA 1.263 57.650 56.287 0.167 0.000 0.942 1230 K CB -0.228 32.334 32.500 0.102 0.000 0.724 1230 K HN 0.139 nan 8.250 nan 0.000 0.446 1231 F N 0.756 120.748 119.950 0.070 0.000 2.102 1231 F HA -0.248 4.277 4.527 -0.004 0.000 0.298 1231 F C 2.165 178.007 175.800 0.070 0.000 1.105 1231 F CA 1.259 59.290 58.000 0.052 0.000 1.239 1231 F CB -0.608 38.410 39.000 0.031 0.000 0.991 1231 F HN 0.025 nan 8.300 nan 0.000 0.474 1232 Y N 0.929 121.196 120.300 -0.055 0.000 2.181 1232 Y HA -0.220 4.328 4.550 -0.004 0.000 0.288 1232 Y C 2.846 178.706 175.900 -0.065 0.000 1.146 1232 Y CA 2.243 60.257 58.100 -0.144 0.000 1.164 1232 Y CB -0.531 37.876 38.460 -0.087 0.000 0.982 1232 Y HN 0.048 nan 8.280 nan 0.000 0.515 1233 R N 1.061 121.686 120.500 0.207 0.000 2.096 1233 R HA -0.216 4.122 4.340 -0.004 0.000 0.235 1233 R C 2.433 178.734 176.300 0.002 0.000 1.127 1233 R CA 1.853 58.066 56.100 0.188 0.000 0.968 1233 R CB -0.339 30.113 30.300 0.253 0.000 0.861 1233 R HN 0.412 nan 8.270 nan 0.000 0.440 1234 K N -0.074 120.302 120.400 -0.041 0.000 2.103 1234 K HA -0.174 4.144 4.320 -0.004 0.000 0.207 1234 K C 0.673 177.191 176.600 -0.136 0.000 1.048 1234 K CA 2.131 58.383 56.287 -0.058 0.000 0.930 1234 K CB 0.049 32.528 32.500 -0.036 0.000 0.716 1234 K HN 0.161 nan 8.250 nan 0.000 0.444 1235 D N -0.180 120.052 120.400 -0.281 0.000 2.323 1235 D HA 0.074 4.712 4.640 -0.004 0.000 0.218 1235 D C 1.732 177.833 176.300 -0.332 0.000 0.973 1235 D CA 1.029 54.838 54.000 -0.319 0.000 0.890 1235 D CB 0.078 40.618 40.800 -0.433 0.000 1.011 1235 D HN 0.331 nan 8.370 nan 0.000 0.499 1236 A N 0.190 122.733 122.820 -0.462 0.000 1.897 1236 A HA 0.321 4.639 4.320 -0.004 0.000 0.215 1236 A C 1.862 179.358 177.584 -0.147 0.000 1.181 1236 A CA 1.777 53.576 52.037 -0.396 0.000 0.620 1236 A CB -0.486 18.160 19.000 -0.592 0.000 0.821 1236 A HN 0.301 nan 8.150 nan 0.000 0.443 1237 G N -1.163 107.597 108.800 -0.067 0.000 2.130 1237 G HA2 -0.168 3.790 3.960 -0.004 0.000 0.216 1237 G HA3 -0.168 3.790 3.960 -0.004 0.000 0.216 1237 G C 0.338 175.276 174.900 0.064 0.000 0.999 1237 G CA 0.603 45.706 45.100 0.004 0.000 0.686 1237 G HN 1.196 nan 8.290 nan 0.000 0.515 1238 S N 0.411 116.196 115.700 0.142 0.000 2.485 1238 S HA 0.675 5.143 4.470 -0.004 0.000 0.312 1238 S C 0.445 175.186 174.600 0.234 0.000 1.102 1238 S CA -0.487 57.840 58.200 0.211 0.000 1.066 1238 S CB -0.143 63.228 63.200 0.285 0.000 1.102 1238 S HN 0.492 nan 8.310 nan 0.000 0.519 1239 L N 4.699 125.995 121.223 0.122 0.000 2.346 1239 L HA 0.569 4.906 4.340 -0.004 0.000 0.274 1239 L C 0.187 177.089 176.870 0.054 0.000 1.007 1239 L CA -0.741 54.133 54.840 0.055 0.000 0.818 1239 L CB 1.886 43.960 42.059 0.025 0.000 1.284 1239 L HN 0.529 nan 8.230 nan 0.000 0.424 1240 M N 2.571 122.188 119.600 0.027 0.000 2.188 1240 M HA 0.436 4.914 4.480 -0.004 0.000 0.354 1240 M C 0.202 176.508 176.300 0.011 0.000 1.342 1240 M CA -0.134 55.180 55.300 0.024 0.000 1.117 1240 M CB 1.061 33.672 32.600 0.018 0.000 1.670 1240 M HN 0.779 nan 8.290 nan 0.000 0.466 1241 A N 6.902 129.727 122.820 0.008 0.000 2.407 1241 A HA 0.380 4.698 4.320 -0.004 0.000 0.248 1241 A C -2.073 175.522 177.584 0.019 0.000 1.082 1241 A CA -1.357 50.684 52.037 0.007 0.000 0.785 1241 A CB -0.336 18.666 19.000 0.004 0.000 1.020 1241 A HN 0.746 nan 8.150 nan 0.000 0.489 1242 P HA -0.207 nan 4.420 nan 0.000 0.216 1242 P C 1.620 178.971 177.300 0.085 0.000 1.153 1242 P CA 1.734 64.875 63.100 0.069 0.000 0.858 1242 P CB -0.047 31.690 31.700 0.061 0.000 0.789 1243 M N -0.262 119.365 119.600 0.046 0.000 2.117 1243 M HA -0.132 4.346 4.480 -0.004 0.000 0.262 1243 M C 1.169 177.536 176.300 0.111 0.000 1.065 1243 M CA 1.896 57.236 55.300 0.066 0.000 1.114 1243 M CB -1.335 31.273 32.600 0.012 0.000 1.361 1243 M HN -0.256 nan 8.290 nan 0.000 0.408 1244 D N 0.177 120.599 120.400 0.037 0.000 2.144 1244 D HA -0.019 4.618 4.640 -0.004 0.000 0.200 1244 D C 2.006 178.247 176.300 -0.097 0.000 0.978 1244 D CA 1.673 55.661 54.000 -0.021 0.000 0.833 1244 D CB -0.375 40.404 40.800 -0.035 0.000 0.961 1244 D HN 0.499 nan 8.370 nan 0.000 0.470 1245 A N 0.347 123.128 122.820 -0.065 0.000 1.902 1245 A HA -0.158 4.160 4.320 -0.004 0.000 0.217 1245 A C 2.110 179.657 177.584 -0.063 0.000 1.181 1245 A CA 1.039 52.998 52.037 -0.131 0.000 0.623 1245 A CB -1.044 17.963 19.000 0.012 0.000 0.818 1245 A HN 0.287 nan 8.150 nan 0.000 0.443 1246 F N 0.714 120.628 119.950 -0.059 0.000 2.095 1246 F HA -0.193 4.333 4.527 -0.003 0.000 0.298 1246 F C 1.841 177.598 175.800 -0.071 0.000 1.104 1246 F CA 1.956 59.942 58.000 -0.023 0.000 1.232 1246 F CB -0.321 38.681 39.000 0.004 0.000 0.987 1246 F HN 0.146 nan 8.300 nan 0.000 0.475 1247 L N -0.760 120.375 121.223 -0.146 0.000 2.056 1247 L HA -0.260 4.078 4.340 -0.004 0.000 0.207 1247 L C 2.636 179.320 176.870 -0.310 0.000 1.078 1247 L CA 1.238 55.917 54.840 -0.269 0.000 0.749 1247 L CB -0.961 41.052 42.059 -0.076 0.000 0.901 1247 L HN 0.307 nan 8.230 nan 0.000 0.433 1248 C N -0.462 118.635 119.300 -0.340 0.000 2.446 1248 C HA -0.100 4.357 4.460 -0.004 0.000 0.277 1248 C C 3.138 177.977 174.990 -0.252 0.000 1.275 1248 C CA 0.639 59.396 59.018 -0.434 0.000 1.727 1248 C CB -0.999 26.139 27.740 -1.004 0.000 2.010 1248 C HN 0.613 nan 8.230 nan 0.000 0.486 1249 A N 0.502 123.208 122.820 -0.190 0.000 1.877 1249 A HA -0.217 4.101 4.320 -0.004 0.000 0.216 1249 A C 2.294 179.806 177.584 -0.119 0.000 1.186 1249 A CA 1.772 53.820 52.037 0.019 0.000 0.620 1249 A CB -0.679 18.333 19.000 0.020 0.000 0.822 1249 A HN 0.636 nan 8.150 nan 0.000 0.443 1250 R N -0.609 119.707 120.500 -0.307 0.000 2.083 1250 R HA -0.151 4.186 4.340 -0.004 0.000 0.237 1250 R C 2.260 178.424 176.300 -0.226 0.000 1.137 1250 R CA 1.784 57.675 56.100 -0.349 0.000 0.951 1250 R CB -0.751 29.191 30.300 -0.597 0.000 0.851 1250 R HN 0.473 nan 8.270 nan 0.000 0.434 1251 G N 0.456 109.131 108.800 -0.209 0.000 2.432 1251 G HA2 -0.271 3.686 3.960 -0.004 0.000 0.219 1251 G HA3 -0.271 3.686 3.960 -0.004 0.000 0.219 1251 G C 1.413 176.346 174.900 0.055 0.000 1.135 1251 G CA 0.604 45.662 45.100 -0.070 0.000 0.767 1251 G HN 0.317 nan 8.290 nan 0.000 0.550 1252 M N -0.504 119.116 119.600 0.033 0.000 2.394 1252 M HA 0.096 4.574 4.480 -0.004 0.000 0.264 1252 M C 2.354 178.663 176.300 0.015 0.000 1.073 1252 M CA 0.881 56.217 55.300 0.060 0.000 1.111 1252 M CB 0.089 32.762 32.600 0.121 0.000 1.401 1252 M HN -0.006 nan 8.290 nan 0.000 0.448 1253 K N 0.279 120.670 120.400 -0.016 0.000 2.127 1253 K HA -0.135 4.183 4.320 -0.004 0.000 0.208 1253 K C 1.627 178.221 176.600 -0.009 0.000 1.047 1253 K CA 1.953 58.220 56.287 -0.034 0.000 0.927 1253 K CB -0.821 31.642 32.500 -0.062 0.000 0.716 1253 K HN 0.541 nan 8.250 nan 0.000 0.450 1254 T N -2.242 112.326 114.554 0.024 0.000 3.134 1254 T HA 0.157 4.504 4.350 -0.004 0.000 0.260 1254 T C 1.371 176.094 174.700 0.038 0.000 1.027 1254 T CA -0.284 61.838 62.100 0.037 0.000 0.913 1254 T CB 0.020 68.931 68.868 0.071 0.000 1.046 1254 T HN -0.006 nan 8.240 nan 0.000 0.553 1255 L N 2.362 123.602 121.223 0.029 0.000 1.989 1255 L HA 0.126 4.464 4.340 -0.004 0.000 0.211 1255 L C -0.941 175.910 176.870 -0.031 0.000 1.071 1255 L CA 2.025 56.875 54.840 0.017 0.000 0.749 1255 L CB -1.100 40.956 42.059 -0.006 0.000 0.890 1255 L HN 0.102 nan 8.230 nan 0.000 0.431 1256 P HA -0.176 nan 4.420 nan 0.000 0.215 1256 P C 1.923 179.199 177.300 -0.040 0.000 1.153 1256 P CA 1.470 64.516 63.100 -0.090 0.000 0.853 1256 P CB -0.078 31.584 31.700 -0.063 0.000 0.788 1257 I N -1.014 119.551 120.570 -0.008 0.000 2.500 1257 I HA -0.093 4.074 4.170 -0.004 0.000 0.252 1257 I C 2.200 178.321 176.117 0.007 0.000 1.142 1257 I CA 1.181 62.486 61.300 0.009 0.000 1.451 1257 I CB -0.371 37.635 38.000 0.009 0.000 1.093 1257 I HN -0.249 nan 8.210 nan 0.000 0.430 1258 R N -0.637 119.867 120.500 0.006 0.000 2.081 1258 R HA -0.139 4.199 4.340 -0.004 0.000 0.235 1258 R C 2.113 178.448 176.300 0.058 0.000 1.131 1258 R CA 1.529 57.617 56.100 -0.019 0.000 0.960 1258 R CB -0.386 29.941 30.300 0.046 0.000 0.856 1258 R HN 0.289 nan 8.270 nan 0.000 0.436 1259 M N 0.638 120.317 119.600 0.132 0.000 2.159 1259 M HA -0.168 4.310 4.480 -0.004 0.000 0.263 1259 M C 2.166 178.663 176.300 0.330 0.000 1.063 1259 M CA 1.487 56.905 55.300 0.196 0.000 1.110 1259 M CB -0.911 31.571 32.600 -0.196 0.000 1.374 1259 M HN 0.215 nan 8.290 nan 0.000 0.411 1260 Q N 0.300 120.232 119.800 0.220 0.000 2.050 1260 Q HA -0.161 4.177 4.340 -0.004 0.000 0.202 1260 Q C 2.033 178.128 176.000 0.158 0.000 0.980 1260 Q CA 1.539 57.483 55.803 0.235 0.000 0.840 1260 Q CB -0.035 28.783 28.738 0.134 0.000 0.898 1260 Q HN 0.499 nan 8.270 nan 0.000 0.424 1261 I N -0.040 120.575 120.570 0.075 0.000 2.252 1261 I HA -0.281 3.887 4.170 -0.004 0.000 0.245 1261 I C 2.303 178.459 176.117 0.065 0.000 1.102 1261 I CA 0.832 62.144 61.300 0.019 0.000 1.385 1261 I CB -0.528 37.429 38.000 -0.072 0.000 1.064 1261 I HN 0.298 nan 8.210 nan 0.000 0.414 1262 H N 0.385 119.543 119.070 0.148 0.000 2.289 1262 H HA -0.262 4.292 4.556 -0.004 0.000 0.296 1262 H C 2.250 177.690 175.328 0.188 0.000 1.091 1262 H CA 2.112 58.273 56.048 0.188 0.000 1.274 1262 H CB -0.492 29.414 29.762 0.239 0.000 1.364 1262 H HN 0.347 nan 8.280 nan 0.000 0.490 1263 M N 0.401 120.193 119.600 0.320 0.000 2.080 1263 M HA -0.210 4.267 4.480 -0.004 0.000 0.260 1263 M C 2.265 178.651 176.300 0.144 0.000 1.068 1263 M CA 2.050 57.469 55.300 0.199 0.000 1.109 1263 M CB 0.062 32.683 32.600 0.034 0.000 1.342 1263 M HN 0.073 nan 8.290 nan 0.000 0.405 1264 E N 0.410 120.677 120.200 0.112 0.000 2.072 1264 E HA -0.116 4.231 4.350 -0.004 0.000 0.190 1264 E C 1.469 178.104 176.600 0.058 0.000 0.982 1264 E CA 1.834 58.271 56.400 0.063 0.000 0.803 1264 E CB -0.238 29.491 29.700 0.048 0.000 0.755 1264 E HN 0.641 nan 8.360 nan 0.000 0.453 1265 N N -0.619 118.135 118.700 0.090 0.000 2.069 1265 N HA -0.147 4.590 4.740 -0.004 0.000 0.191 1265 N C 1.892 177.480 175.510 0.130 0.000 1.031 1265 N CA 0.919 54.027 53.050 0.096 0.000 0.852 1265 N CB -0.333 38.222 38.487 0.114 0.000 1.018 1265 N HN 0.265 nan 8.380 nan 0.000 0.423 1266 G N 1.620 110.542 108.800 0.202 0.000 2.446 1266 G HA2 -0.214 3.744 3.960 -0.004 0.000 0.217 1266 G HA3 -0.214 3.744 3.960 -0.004 0.000 0.217 1266 G C 1.549 176.415 174.900 -0.057 0.000 1.168 1266 G CA 0.500 45.763 45.100 0.272 0.000 0.771 1266 G HN 0.139 nan 8.290 nan 0.000 0.551 1267 L N -0.221 120.902 121.223 -0.167 0.000 2.046 1267 L HA -0.052 4.286 4.340 -0.004 0.000 0.208 1267 L C 2.983 179.698 176.870 -0.258 0.000 1.077 1267 L CA 1.341 55.935 54.840 -0.411 0.000 0.747 1267 L CB -0.214 41.710 42.059 -0.225 0.000 0.896 1267 L HN 0.181 nan 8.230 nan 0.000 0.432 1268 K N -0.772 119.570 120.400 -0.096 0.000 2.103 1268 K HA -0.090 4.228 4.320 -0.004 0.000 0.204 1268 K C 2.021 178.636 176.600 0.025 0.000 1.052 1268 K CA 0.889 57.155 56.287 -0.034 0.000 0.945 1268 K CB -0.075 32.419 32.500 -0.009 0.000 0.722 1268 K HN 0.071 nan 8.250 nan 0.000 0.443 1269 V N 1.421 121.374 119.914 0.065 0.000 2.295 1269 V HA -0.261 3.857 4.120 -0.004 0.000 0.246 1269 V C 2.328 178.535 176.094 0.190 0.000 1.049 1269 V CA 2.113 64.528 62.300 0.192 0.000 1.024 1269 V CB -0.637 31.364 31.823 0.296 0.000 0.648 1269 V HN 0.353 nan 8.190 nan 0.000 0.447 1270 A N -0.345 122.440 122.820 -0.058 0.000 1.902 1270 A HA -0.244 4.074 4.320 -0.004 0.000 0.217 1270 A C 2.281 179.760 177.584 -0.175 0.000 1.181 1270 A CA 2.022 53.884 52.037 -0.293 0.000 0.623 1270 A CB -0.446 17.987 19.000 -0.944 0.000 0.818 1270 A HN 0.536 nan 8.150 nan 0.000 0.443 1271 K N -1.466 118.841 120.400 -0.156 0.000 2.097 1271 K HA -0.104 4.214 4.320 -0.004 0.000 0.206 1271 K C 1.728 178.329 176.600 0.001 0.000 1.049 1271 K CA 1.588 57.822 56.287 -0.088 0.000 0.933 1271 K CB -0.323 32.131 32.500 -0.076 0.000 0.717 1271 K HN 0.591 nan 8.250 nan 0.000 0.442 1272 F N 1.301 121.210 119.950 -0.069 0.000 2.146 1272 F HA -0.124 4.401 4.527 -0.004 0.000 0.298 1272 F C 1.602 177.389 175.800 -0.022 0.000 1.096 1272 F CA 1.130 59.110 58.000 -0.032 0.000 1.275 1272 F CB -0.012 38.971 39.000 -0.028 0.000 1.008 1272 F HN -0.120 nan 8.300 nan 0.000 0.480 1273 L N 0.312 121.359 121.223 -0.293 0.000 2.056 1273 L HA -0.179 4.158 4.340 -0.004 0.000 0.207 1273 L C 2.506 179.226 176.870 -0.250 0.000 1.078 1273 L CA 1.782 56.372 54.840 -0.416 0.000 0.749 1273 L CB -0.862 41.007 42.059 -0.317 0.000 0.901 1273 L HN 0.218 nan 8.230 nan 0.000 0.433 1274 E N 0.443 120.557 120.200 -0.144 0.000 2.204 1274 E HA -0.275 4.073 4.350 -0.004 0.000 0.195 1274 E C 1.891 178.438 176.600 -0.089 0.000 0.990 1274 E CA 1.300 57.651 56.400 -0.082 0.000 0.821 1274 E CB 0.195 29.856 29.700 -0.066 0.000 0.750 1274 E HN 0.567 nan 8.360 nan 0.000 0.477 1275 Q N -0.774 118.951 119.800 -0.125 0.000 2.360 1275 Q HA 0.029 4.366 4.340 -0.004 0.000 0.202 1275 Q C 0.346 176.257 176.000 -0.147 0.000 0.915 1275 Q CA 0.395 56.132 55.803 -0.110 0.000 0.943 1275 Q CB -0.010 28.682 28.738 -0.077 0.000 1.064 1275 Q HN 0.161 nan 8.270 nan 0.000 0.511 1276 H N 1.200 120.086 119.070 -0.306 0.000 2.548 1276 H HA 0.119 4.673 4.556 -0.004 0.000 0.331 1276 H C 0.288 175.513 175.328 -0.172 0.000 1.093 1276 H CA 0.145 56.006 56.048 -0.312 0.000 1.367 1276 H CB 1.304 30.753 29.762 -0.522 0.000 1.455 1276 H HN 0.447 nan 8.280 nan 0.000 0.519 1277 E N 3.643 123.549 120.200 -0.490 0.000 2.085 1277 E HA -0.178 4.170 4.350 -0.004 0.000 0.194 1277 E C 1.278 177.855 176.600 -0.038 0.000 0.994 1277 E CA 1.057 57.313 56.400 -0.240 0.000 0.801 1277 E CB 0.256 29.779 29.700 -0.294 0.000 0.743 1277 E HN 0.576 nan 8.360 nan 0.000 0.453 1278 K N -0.092 120.399 120.400 0.152 0.000 2.365 1278 K HA -0.017 4.300 4.320 -0.004 0.000 0.199 1278 K C 0.256 176.936 176.600 0.134 0.000 1.045 1278 K CA 0.201 56.592 56.287 0.172 0.000 0.962 1278 K CB 0.264 32.898 32.500 0.223 0.000 0.759 1278 K HN 0.166 nan 8.250 nan 0.000 0.469 1279 I N 1.441 122.086 120.570 0.125 0.000 2.342 1279 I HA -0.005 4.163 4.170 -0.004 0.000 0.291 1279 I C 1.512 177.676 176.117 0.079 0.000 1.010 1279 I CA 0.058 61.413 61.300 0.091 0.000 1.308 1279 I CB 1.435 39.438 38.000 0.005 0.000 1.400 1279 I HN -0.225 nan 8.210 nan 0.000 0.488 1280 V N 5.542 125.521 119.914 0.107 0.000 2.379 1280 V HA 0.019 4.137 4.120 -0.004 0.000 0.243 1280 V C 0.863 177.011 176.094 0.090 0.000 1.035 1280 V CA 1.260 63.611 62.300 0.085 0.000 1.035 1280 V CB -0.192 31.684 31.823 0.088 0.000 0.673 1280 V HN 0.773 nan 8.190 nan 0.000 0.457 1281 K N -0.755 119.726 120.400 0.134 0.000 2.546 1281 K HA 0.581 4.899 4.320 -0.004 0.000 0.264 1281 K C -2.042 174.688 176.600 0.217 0.000 0.937 1281 K CA -0.442 55.933 56.287 0.146 0.000 0.833 1281 K CB 2.701 35.285 32.500 0.139 0.000 1.378 1281 K HN -0.092 nan 8.250 nan 0.000 0.432 1282 V N 3.237 123.273 119.914 0.203 0.000 2.444 1282 V HA 0.316 4.434 4.120 -0.004 0.000 0.294 1282 V C -0.475 175.768 176.094 0.248 0.000 1.022 1282 V CA -0.830 61.630 62.300 0.266 0.000 0.850 1282 V CB 1.566 33.486 31.823 0.162 0.000 0.992 1282 V HN 0.777 nan 8.190 nan 0.000 0.426 1283 N N 3.645 122.523 118.700 0.297 0.000 3.229 1283 N HA 0.178 4.916 4.740 -0.004 0.000 0.275 1283 N C -0.704 174.706 175.510 -0.168 0.000 1.225 1283 N CA -0.231 52.905 53.050 0.145 0.000 1.119 1283 N CB 0.122 38.777 38.487 0.281 0.000 1.392 1283 N HN 0.663 nan 8.380 nan 0.000 0.520 1284 H N 2.186 120.982 119.070 -0.456 0.000 2.481 1284 H HA 0.211 4.764 4.556 -0.004 0.000 0.333 1284 H C -1.882 172.963 175.328 -0.805 0.000 1.066 1284 H CA -1.925 53.760 56.048 -0.605 0.000 1.209 1284 H CB 2.129 31.439 29.762 -0.753 0.000 1.445 1284 H HN 0.246 nan 8.280 nan 0.000 0.488 1285 P HA -0.028 nan 4.420 nan 0.000 0.230 1285 P C 1.060 178.196 177.300 -0.273 0.000 1.158 1285 P CA 0.870 63.679 63.100 -0.484 0.000 0.769 1285 P CB 0.134 31.676 31.700 -0.263 0.000 0.807 1286 G N -0.557 108.001 108.800 -0.404 0.000 2.939 1286 G HA2 0.137 4.095 3.960 -0.004 0.000 0.210 1286 G HA3 0.137 4.095 3.960 -0.004 0.000 0.210 1286 G C 0.596 175.335 174.900 -0.269 0.000 1.160 1286 G CA -0.151 44.530 45.100 -0.698 0.000 0.770 1286 G HN 0.192 nan 8.290 nan 0.000 0.543 1287 L N 0.505 121.586 121.223 -0.236 0.000 2.371 1287 L HA 0.266 4.604 4.340 -0.004 0.000 0.272 1287 L C 1.299 177.894 176.870 -0.459 0.000 1.124 1287 L CA -0.413 54.249 54.840 -0.296 0.000 0.816 1287 L CB 1.376 43.330 42.059 -0.175 0.000 1.129 1287 L HN 0.139 nan 8.230 nan 0.000 0.448 1288 E N 0.638 120.547 120.200 -0.485 0.000 2.204 1288 E HA -0.165 4.183 4.350 -0.004 0.000 0.194 1288 E C 1.934 178.447 176.600 -0.145 0.000 0.989 1288 E CA 1.306 57.443 56.400 -0.439 0.000 0.824 1288 E CB 0.170 29.720 29.700 -0.250 0.000 0.756 1288 E HN 0.813 nan 8.360 nan 0.000 0.477 1289 S N 0.401 116.059 115.700 -0.070 0.000 2.447 1289 S HA -0.121 4.347 4.470 -0.004 0.000 0.233 1289 S C 0.638 175.287 174.600 0.082 0.000 1.006 1289 S CA 0.002 58.207 58.200 0.009 0.000 0.957 1289 S CB -0.269 62.942 63.200 0.018 0.000 0.773 1289 S HN 0.140 nan 8.310 nan 0.000 0.507 1290 F N 4.052 123.978 119.950 -0.040 0.000 2.504 1290 F HA 0.373 4.898 4.527 -0.004 0.000 0.369 1290 F C -1.629 174.202 175.800 0.052 0.000 1.082 1290 F CA -2.486 55.524 58.000 0.017 0.000 1.216 1290 F CB 0.792 39.811 39.000 0.031 0.000 1.108 1290 F HN -0.043 nan 8.300 nan 0.000 0.554 1291 P HA -0.147 nan 4.420 nan 0.000 0.216 1291 P C 1.107 178.305 177.300 -0.169 0.000 1.154 1291 P CA 1.870 64.781 63.100 -0.315 0.000 0.865 1291 P CB 0.046 31.491 31.700 -0.425 0.000 0.789 1292 G N -1.993 106.685 108.800 -0.203 0.000 3.314 1292 G HA2 -0.098 3.860 3.960 -0.004 0.000 0.238 1292 G HA3 -0.098 3.860 3.960 -0.004 0.000 0.238 1292 G C 1.221 176.262 174.900 0.235 0.000 1.184 1292 G CA -0.124 45.013 45.100 0.063 0.000 0.806 1292 G HN 0.346 nan 8.290 nan 0.000 0.536 1293 H N 0.983 120.168 119.070 0.192 0.000 2.353 1293 H HA -0.096 4.457 4.556 -0.004 0.000 0.300 1293 H C 1.510 176.924 175.328 0.143 0.000 1.090 1293 H CA 1.807 57.970 56.048 0.193 0.000 1.327 1293 H CB 0.260 30.114 29.762 0.153 0.000 1.383 1293 H HN 0.316 nan 8.280 nan 0.000 0.508 1294 D N 0.132 120.565 120.400 0.054 0.000 2.219 1294 D HA -0.068 4.570 4.640 -0.004 0.000 0.205 1294 D C 2.308 178.593 176.300 -0.025 0.000 0.970 1294 D CA 0.909 54.901 54.000 -0.013 0.000 0.851 1294 D CB 0.025 40.856 40.800 0.053 0.000 0.943 1294 D HN 0.448 nan 8.370 nan 0.000 0.488 1295 I N 0.418 120.996 120.570 0.013 0.000 2.333 1295 I HA -0.140 4.028 4.170 -0.004 0.000 0.246 1295 I C 2.357 178.487 176.117 0.023 0.000 1.106 1295 I CA 0.645 61.957 61.300 0.021 0.000 1.411 1295 I CB -0.144 37.879 38.000 0.038 0.000 1.082 1295 I HN -0.036 nan 8.210 nan 0.000 0.420 1296 A N 1.942 124.791 122.820 0.048 0.000 1.902 1296 A HA -0.240 4.078 4.320 -0.004 0.000 0.217 1296 A C 2.300 179.914 177.584 0.051 0.000 1.181 1296 A CA 2.064 54.161 52.037 0.100 0.000 0.623 1296 A CB -0.579 18.551 19.000 0.216 0.000 0.818 1296 A HN 0.540 nan 8.150 nan 0.000 0.443 1297 K N -1.342 119.028 120.400 -0.049 0.000 2.365 1297 K HA 0.008 4.325 4.320 -0.004 0.000 0.199 1297 K C 1.816 178.371 176.600 -0.075 0.000 1.045 1297 K CA 1.228 57.463 56.287 -0.086 0.000 0.962 1297 K CB 0.030 32.420 32.500 -0.183 0.000 0.759 1297 K HN 0.183 nan 8.250 nan 0.000 0.469 1298 K N 1.150 121.520 120.400 -0.049 0.000 2.242 1298 K HA 0.035 4.352 4.320 -0.004 0.000 0.200 1298 K C 1.598 178.187 176.600 -0.019 0.000 1.050 1298 K CA 0.999 57.269 56.287 -0.028 0.000 0.981 1298 K CB 0.377 32.868 32.500 -0.015 0.000 0.795 1298 K HN 0.332 nan 8.250 nan 0.000 0.477 1299 Q N -0.726 119.067 119.800 -0.011 0.000 2.352 1299 Q HA 0.233 4.571 4.340 -0.004 0.000 0.212 1299 Q C 0.222 176.222 176.000 -0.001 0.000 0.888 1299 Q CA 0.128 55.931 55.803 0.001 0.000 0.934 1299 Q CB 0.850 29.597 28.738 0.014 0.000 1.093 1299 Q HN 0.160 nan 8.270 nan 0.000 0.523 1300 M N -0.460 119.123 119.600 -0.029 0.000 2.644 1300 M HA 0.260 4.738 4.480 -0.004 0.000 0.304 1300 M C 0.312 176.543 176.300 -0.116 0.000 1.215 1300 M CA -0.406 54.866 55.300 -0.047 0.000 0.871 1300 M CB 1.987 34.554 32.600 -0.056 0.000 1.740 1300 M HN -0.122 nan 8.290 nan 0.000 0.464 1301 T N -2.345 112.173 114.554 -0.061 0.000 3.145 1301 T HA 0.565 4.913 4.350 -0.004 0.000 0.255 1301 T C 0.437 174.973 174.700 -0.274 0.000 1.039 1301 T CA 0.113 62.172 62.100 -0.068 0.000 0.928 1301 T CB -0.083 68.833 68.868 0.082 0.000 1.029 1301 T HN 0.961 nan 8.240 nan 0.000 0.554 1302 G N -0.037 108.364 108.800 -0.665 0.000 2.325 1302 G HA2 0.490 4.447 3.960 -0.004 0.000 0.295 1302 G HA3 0.490 4.447 3.960 -0.004 0.000 0.295 1302 G C -2.326 171.778 174.900 -1.327 0.000 1.274 1302 G CA -1.106 43.108 45.100 -1.476 0.000 0.857 1302 G HN 0.239 nan 8.290 nan 0.000 0.499 1303 Y N -0.547 119.341 120.300 -0.687 0.000 2.512 1303 Y HA 0.632 5.179 4.550 -0.004 0.000 0.348 1303 Y C 0.940 176.788 175.900 -0.085 0.000 0.990 1303 Y CA -0.347 57.623 58.100 -0.217 0.000 1.033 1303 Y CB 2.141 40.558 38.460 -0.071 0.000 1.259 1303 Y HN 0.867 nan 8.280 nan 0.000 0.461 1304 G N 0.042 108.911 108.800 0.114 0.000 2.651 1304 G HA2 0.332 4.290 3.960 -0.004 0.000 0.260 1304 G HA3 0.332 4.290 3.960 -0.004 0.000 0.260 1304 G C 0.444 175.409 174.900 0.109 0.000 1.216 1304 G CA -0.164 44.905 45.100 -0.051 0.000 0.913 1304 G HN 0.740 nan 8.290 nan 0.000 0.535 1305 S N -1.717 114.097 115.700 0.190 0.000 2.568 1305 S HA 0.211 4.679 4.470 -0.004 0.000 0.232 1305 S C 0.495 175.291 174.600 0.326 0.000 0.975 1305 S CA -0.268 58.140 58.200 0.346 0.000 0.949 1305 S CB 0.277 63.713 63.200 0.394 0.000 0.829 1305 S HN 0.399 nan 8.310 nan 0.000 0.479 1306 T N 3.746 118.369 114.554 0.115 0.000 2.749 1306 T HA 0.662 5.010 4.350 -0.004 0.000 0.287 1306 T C -0.678 174.080 174.700 0.098 0.000 0.970 1306 T CA -0.495 61.546 62.100 -0.097 0.000 0.980 1306 T CB 0.269 68.778 68.868 -0.598 0.000 0.924 1306 T HN 0.490 nan 8.240 nan 0.000 0.456 1307 F N 1.610 121.584 119.950 0.041 0.000 2.711 1307 F HA 0.842 5.367 4.527 -0.004 0.000 0.313 1307 F C -2.051 173.843 175.800 0.157 0.000 1.141 1307 F CA -1.831 56.228 58.000 0.098 0.000 0.941 1307 F CB 0.911 39.942 39.000 0.051 0.000 1.349 1307 F HN 0.398 nan 8.300 nan 0.000 0.464 1308 L N 2.352 123.753 121.223 0.297 0.000 2.330 1308 L HA 0.871 5.209 4.340 -0.004 0.000 0.271 1308 L C -1.248 175.815 176.870 0.321 0.000 1.013 1308 L CA -0.877 54.035 54.840 0.120 0.000 0.816 1308 L CB 1.793 43.912 42.059 0.099 0.000 1.287 1308 L HN 0.733 nan 8.230 nan 0.000 0.435 1309 F N 0.334 120.359 119.950 0.124 0.000 2.631 1309 F HA 0.609 5.133 4.527 -0.004 0.000 0.308 1309 F C -0.904 174.957 175.800 0.102 0.000 1.097 1309 F CA -0.950 57.139 58.000 0.149 0.000 0.952 1309 F CB 1.209 40.318 39.000 0.180 0.000 1.307 1309 F HN 0.568 nan 8.300 nan 0.000 0.450 1310 E N 3.509 123.895 120.200 0.309 0.000 2.156 1310 E HA 0.392 4.740 4.350 -0.004 0.000 0.279 1310 E C -0.838 175.904 176.600 0.237 0.000 0.965 1310 E CA -0.848 55.665 56.400 0.189 0.000 0.789 1310 E CB 0.946 30.732 29.700 0.144 0.000 1.098 1310 E HN 0.592 nan 8.360 nan 0.000 0.397 1311 M N 3.074 122.786 119.600 0.186 0.000 2.371 1311 M HA 0.231 4.708 4.480 -0.004 0.000 0.301 1311 M C 0.890 177.263 176.300 0.120 0.000 1.173 1311 M CA -0.117 55.286 55.300 0.172 0.000 1.020 1311 M CB 0.771 33.464 32.600 0.155 0.000 1.490 1311 M HN 0.479 nan 8.290 nan 0.000 0.485 1312 K N 0.298 120.756 120.400 0.097 0.000 2.365 1312 K HA -0.005 4.313 4.320 -0.004 0.000 0.199 1312 K C 0.281 176.926 176.600 0.074 0.000 1.045 1312 K CA 0.521 56.852 56.287 0.073 0.000 0.962 1312 K CB 0.184 32.715 32.500 0.053 0.000 0.759 1312 K HN 0.793 nan 8.250 nan 0.000 0.469 1313 S N -2.011 113.740 115.700 0.086 0.000 2.611 1313 S HA 0.145 4.613 4.470 -0.004 0.000 0.268 1313 S C 0.195 174.879 174.600 0.141 0.000 1.156 1313 S CA -1.020 57.245 58.200 0.108 0.000 0.817 1313 S CB 0.224 63.472 63.200 0.079 0.000 1.122 1313 S HN 0.106 nan 8.310 nan 0.000 0.466 1314 F N 1.653 121.628 119.950 0.043 0.000 2.134 1314 F HA 0.003 4.528 4.527 -0.004 0.000 0.299 1314 F C 2.034 177.832 175.800 -0.002 0.000 1.097 1314 F CA 2.101 60.121 58.000 0.034 0.000 1.264 1314 F CB -0.216 38.802 39.000 0.030 0.000 1.001 1314 F HN 0.738 nan 8.300 nan 0.000 0.479 1315 E N 0.832 120.901 120.200 -0.218 0.000 2.110 1315 E HA -0.137 4.211 4.350 -0.004 0.000 0.193 1315 E C 2.259 178.729 176.600 -0.217 0.000 0.988 1315 E CA 1.278 57.493 56.400 -0.307 0.000 0.804 1315 E CB -0.590 29.056 29.700 -0.090 0.000 0.745 1315 E HN 0.517 nan 8.360 nan 0.000 0.458 1316 A N 0.806 123.563 122.820 -0.105 0.000 1.930 1316 A HA -0.011 4.307 4.320 -0.004 0.000 0.217 1316 A C 2.341 179.899 177.584 -0.044 0.000 1.175 1316 A CA 1.629 53.637 52.037 -0.049 0.000 0.627 1316 A CB -0.725 18.279 19.000 0.007 0.000 0.815 1316 A HN 0.282 nan 8.150 nan 0.000 0.443 1317 A N -0.042 122.741 122.820 -0.063 0.000 1.902 1317 A HA -0.162 4.156 4.320 -0.004 0.000 0.217 1317 A C 2.135 179.637 177.584 -0.137 0.000 1.181 1317 A CA 1.939 53.953 52.037 -0.038 0.000 0.623 1317 A CB -0.442 18.574 19.000 0.027 0.000 0.818 1317 A HN 0.546 nan 8.150 nan 0.000 0.443 1318 K N -0.152 120.040 120.400 -0.346 0.000 2.148 1318 K HA -0.159 4.159 4.320 -0.004 0.000 0.204 1318 K C 2.094 178.617 176.600 -0.129 0.000 1.050 1318 K CA 1.701 57.769 56.287 -0.365 0.000 0.942 1318 K CB -0.159 31.941 32.500 -0.666 0.000 0.724 1318 K HN 0.438 nan 8.250 nan 0.000 0.446 1319 K N 0.478 120.834 120.400 -0.072 0.000 2.057 1319 K HA -0.131 4.187 4.320 -0.004 0.000 0.206 1319 K C 2.184 178.871 176.600 0.145 0.000 1.050 1319 K CA 0.955 57.280 56.287 0.063 0.000 0.935 1319 K CB -0.088 32.397 32.500 -0.025 0.000 0.715 1319 K HN 0.104 nan 8.250 nan 0.000 0.439 1320 L N 1.091 122.358 121.223 0.073 0.000 1.976 1320 L HA -0.119 4.219 4.340 -0.004 0.000 0.209 1320 L C 2.146 179.080 176.870 0.107 0.000 1.071 1320 L CA 1.751 56.651 54.840 0.100 0.000 0.746 1320 L CB -0.360 41.770 42.059 0.118 0.000 0.890 1320 L HN 0.223 nan 8.230 nan 0.000 0.432 1321 M N -0.818 118.821 119.600 0.065 0.000 2.202 1321 M HA -0.218 4.259 4.480 -0.004 0.000 0.262 1321 M C 1.741 178.046 176.300 0.008 0.000 1.063 1321 M CA 1.803 57.125 55.300 0.037 0.000 1.097 1321 M CB -0.209 32.393 32.600 0.004 0.000 1.382 1321 M HN 0.332 nan 8.290 nan 0.000 0.413 1322 E N -1.592 118.600 120.200 -0.012 0.000 2.474 1322 E HA 0.001 4.348 4.350 -0.004 0.000 0.195 1322 E C 0.435 176.843 176.600 -0.321 0.000 1.039 1322 E CA 0.254 56.561 56.400 -0.155 0.000 0.881 1322 E CB 0.323 29.892 29.700 -0.217 0.000 0.970 1322 E HN 0.576 nan 8.360 nan 0.000 0.486 1323 H N -0.163 118.910 119.070 0.004 0.000 2.510 1323 H HA 0.235 4.789 4.556 -0.004 0.000 0.266 1323 H C -0.169 175.170 175.328 0.017 0.000 1.146 1323 H CA -0.100 55.955 56.048 0.012 0.000 0.993 1323 H CB 0.644 30.416 29.762 0.017 0.000 1.727 1323 H HN 0.005 nan 8.280 nan 0.000 0.590 1324 L N 1.100 122.370 121.223 0.078 0.000 2.357 1324 L HA 0.215 4.553 4.340 -0.004 0.000 0.273 1324 L C 1.099 177.989 176.870 0.033 0.000 1.080 1324 L CA -0.364 54.510 54.840 0.058 0.000 0.803 1324 L CB 1.252 43.341 42.059 0.051 0.000 1.174 1324 L HN -0.047 nan 8.230 nan 0.000 0.443 1325 K N 1.476 121.894 120.400 0.030 0.000 2.399 1325 K HA 0.159 4.477 4.320 -0.004 0.000 0.196 1325 K C 1.242 177.850 176.600 0.013 0.000 1.103 1325 K CA 0.433 56.731 56.287 0.019 0.000 0.986 1325 K CB 0.607 33.120 32.500 0.022 0.000 0.952 1325 K HN 0.414 nan 8.250 nan 0.000 0.541 1326 V N 1.269 121.191 119.914 0.014 0.000 2.521 1326 V HA 0.009 4.126 4.120 -0.004 0.000 0.239 1326 V C 1.173 177.275 176.094 0.013 0.000 1.053 1326 V CA 0.333 62.639 62.300 0.010 0.000 1.073 1326 V CB -0.037 31.790 31.823 0.006 0.000 0.746 1326 V HN 0.104 nan 8.190 nan 0.000 0.476 1327 C N 1.956 121.267 119.300 0.020 0.000 2.653 1327 C HA 0.408 4.866 4.460 -0.004 0.000 0.421 1327 C C 0.974 175.974 174.990 0.016 0.000 1.334 1327 C CA 0.044 59.075 59.018 0.022 0.000 1.885 1327 C CB -0.559 27.202 27.740 0.035 0.000 2.645 1327 C HN 0.575 nan 8.230 nan 0.000 0.601 1328 T N 3.328 117.888 114.554 0.011 0.000 2.779 1328 T HA 0.425 4.773 4.350 -0.004 0.000 0.280 1328 T C -0.573 174.131 174.700 0.006 0.000 0.987 1328 T CA -0.605 61.498 62.100 0.005 0.000 0.966 1328 T CB 0.403 69.273 68.868 0.002 0.000 0.933 1328 T HN 0.544 nan 8.240 nan 0.000 0.442 1329 L N 5.496 126.721 121.223 0.004 0.000 2.485 1329 L HA 0.651 4.988 4.340 -0.004 0.000 0.279 1329 L C -0.104 176.771 176.870 0.009 0.000 1.124 1329 L CA 0.707 55.551 54.840 0.007 0.000 0.888 1329 L CB -0.907 41.152 42.059 -0.001 0.000 1.217 1329 L HN 0.950 nan 8.230 nan 0.000 0.464 1330 A N 3.828 126.656 122.820 0.013 0.000 2.583 1330 A HA 0.595 4.912 4.320 -0.004 0.000 0.292 1330 A C -0.646 176.949 177.584 0.018 0.000 1.045 1330 A CA -0.241 51.804 52.037 0.014 0.000 0.672 1330 A CB 0.425 19.428 19.000 0.006 0.000 1.283 1330 A HN 1.008 nan 8.150 nan 0.000 0.419 1331 V N -0.412 119.517 119.914 0.025 0.000 3.641 1331 V HA 0.859 4.977 4.120 -0.004 0.000 0.286 1331 V C 0.797 176.901 176.094 0.017 0.000 1.027 1331 V CA 0.535 62.855 62.300 0.034 0.000 1.032 1331 V CB 0.646 32.499 31.823 0.050 0.000 1.238 1331 V HN 2.961 nan 8.190 nan 0.000 0.439 1332 S N -0.537 115.179 115.700 0.026 0.000 3.918 1332 S HA -0.045 4.423 4.470 -0.004 0.000 0.653 1332 S C -0.892 173.671 174.600 -0.062 0.000 1.661 1332 S CA 0.790 58.981 58.200 -0.014 0.000 1.805 1332 S CB -1.238 61.944 63.200 -0.030 0.000 0.331 1332 S HN 2.531 nan 8.310 nan 0.000 1.611 1333 L N -1.653 119.486 121.223 -0.140 0.000 2.933 1333 L HA 0.817 5.155 4.340 -0.004 0.000 0.271 1333 L C 1.032 177.623 176.870 -0.466 0.000 1.071 1333 L CA -0.203 54.477 54.840 -0.266 0.000 0.938 1333 L CB 0.732 42.621 42.059 -0.283 0.000 1.534 1333 L HN 2.256 nan 8.230 nan 0.000 0.396 1334 G N -0.675 107.638 108.800 -0.811 0.000 2.153 1334 G HA2 -0.213 3.745 3.960 -0.004 0.000 0.252 1334 G HA3 -0.213 3.745 3.960 -0.004 0.000 0.252 1334 G C 0.239 174.756 174.900 -0.638 0.000 0.994 1334 G CA 0.247 44.469 45.100 -1.462 0.000 0.698 1334 G HN 0.807 nan 8.290 nan 0.000 0.521 1335 C N -0.954 118.151 119.300 -0.326 0.000 2.422 1335 C HA 0.476 4.934 4.460 -0.004 0.000 0.364 1335 C C 2.307 177.298 174.990 0.001 0.000 1.251 1335 C CA -0.105 58.833 59.018 -0.133 0.000 2.441 1335 C CB 1.267 28.949 27.740 -0.096 0.000 2.393 1335 C HN 0.282 nan 8.230 nan 0.000 0.606 1336 V N 1.722 121.609 119.914 -0.045 0.000 2.407 1336 V HA -0.096 4.022 4.120 -0.004 0.000 0.248 1336 V C 1.088 177.182 176.094 0.001 0.000 1.055 1336 V CA 2.070 64.341 62.300 -0.048 0.000 1.049 1336 V CB -0.688 31.009 31.823 -0.210 0.000 0.662 1336 V HN 0.951 nan 8.190 nan 0.000 0.455 1337 D N -1.075 119.322 120.400 -0.004 0.000 2.277 1337 D HA 0.117 4.754 4.640 -0.004 0.000 0.250 1337 D C -0.275 176.037 176.300 0.020 0.000 1.032 1337 D CA -0.351 53.654 54.000 0.008 0.000 0.947 1337 D CB 1.223 42.022 40.800 -0.002 0.000 1.159 1337 D HN 0.042 nan 8.370 nan 0.000 0.460 1338 T N 1.577 116.148 114.554 0.027 0.000 2.779 1338 T HA 0.274 4.622 4.350 -0.004 0.000 0.296 1338 T C 0.056 174.761 174.700 0.008 0.000 0.938 1338 T CA -0.408 61.710 62.100 0.030 0.000 1.119 1338 T CB 0.096 68.989 68.868 0.042 0.000 0.891 1338 T HN 0.166 nan 8.240 nan 0.000 0.526 1339 L N 3.836 125.053 121.223 -0.010 0.000 2.334 1339 L HA 0.713 5.051 4.340 -0.004 0.000 0.272 1339 L C -0.148 176.714 176.870 -0.014 0.000 1.020 1339 L CA -0.661 54.169 54.840 -0.017 0.000 0.812 1339 L CB 1.526 43.561 42.059 -0.040 0.000 1.264 1339 L HN 0.623 nan 8.230 nan 0.000 0.439 1340 I N 1.264 121.833 120.570 -0.002 0.000 2.722 1340 I HA 0.510 4.677 4.170 -0.004 0.000 0.295 1340 I C -1.288 174.837 176.117 0.013 0.000 1.161 1340 I CA -0.120 61.183 61.300 0.004 0.000 1.032 1340 I CB 1.812 39.832 38.000 0.033 0.000 1.244 1340 I HN 0.636 nan 8.210 nan 0.000 0.421 1341 E N 5.546 125.751 120.200 0.010 0.000 2.412 1341 E HA 0.228 4.576 4.350 -0.004 0.000 0.279 1341 E C -1.875 174.768 176.600 0.072 0.000 0.984 1341 E CA -0.612 55.815 56.400 0.044 0.000 0.788 1341 E CB 1.993 31.718 29.700 0.042 0.000 1.277 1341 E HN 0.715 nan 8.360 nan 0.000 0.455 1342 H N 4.022 123.097 119.070 0.008 0.000 2.691 1342 H HA 0.288 4.842 4.556 -0.004 0.000 0.281 1342 H C -1.978 173.378 175.328 0.047 0.000 1.121 1342 H CA -2.052 54.009 56.048 0.021 0.000 1.254 1342 H CB 1.515 31.316 29.762 0.065 0.000 1.390 1342 H HN 0.180 nan 8.280 nan 0.000 0.491 1343 P HA -0.163 nan 4.420 nan 0.000 0.216 1343 P C 1.320 178.550 177.300 -0.117 0.000 1.153 1343 P CA 1.810 64.865 63.100 -0.074 0.000 0.858 1343 P CB 0.204 31.846 31.700 -0.097 0.000 0.789 1344 A N -0.356 122.244 122.820 -0.367 0.000 2.019 1344 A HA -0.137 4.181 4.320 -0.004 0.000 0.219 1344 A C 2.090 179.648 177.584 -0.042 0.000 1.164 1344 A CA 2.224 54.136 52.037 -0.208 0.000 0.644 1344 A CB -1.146 17.705 19.000 -0.247 0.000 0.805 1344 A HN 0.370 nan 8.150 nan 0.000 0.449 1345 S N -3.185 112.554 115.700 0.064 0.000 2.603 1345 S HA 0.450 4.918 4.470 -0.004 0.000 0.232 1345 S C 1.132 175.796 174.600 0.107 0.000 1.016 1345 S CA 0.246 58.534 58.200 0.146 0.000 0.976 1345 S CB 0.050 63.413 63.200 0.271 0.000 0.921 1345 S HN 0.402 nan 8.310 nan 0.000 0.516 1346 M N 1.400 121.051 119.600 0.084 0.000 3.200 1346 M HA 0.166 4.644 4.480 -0.004 0.000 0.175 1346 M C 2.321 178.623 176.300 0.003 0.000 1.847 1346 M CA 1.134 56.468 55.300 0.056 0.000 1.562 1346 M CB -0.460 32.190 32.600 0.084 0.000 0.969 1346 M HN 0.299 nan 8.290 nan 0.000 0.588 1347 T N -1.639 112.920 114.554 0.008 0.000 2.833 1347 T HA -0.093 4.255 4.350 -0.004 0.000 0.269 1347 T C 0.957 175.438 174.700 -0.365 0.000 1.054 1347 T CA 1.122 63.155 62.100 -0.111 0.000 1.135 1347 T CB -0.441 68.428 68.868 0.002 0.000 0.869 1347 T HN 0.371 nan 8.240 nan 0.000 0.466 1348 H N -0.104 118.920 119.070 -0.077 0.000 2.587 1348 H HA 0.671 5.225 4.556 -0.004 0.000 0.245 1348 H C 1.385 176.663 175.328 -0.083 0.000 1.238 1348 H CA 0.086 56.074 56.048 -0.099 0.000 0.963 1348 H CB 0.494 30.201 29.762 -0.092 0.000 1.904 1348 H HN 0.461 nan 8.280 nan 0.000 0.584 1349 A N 0.594 123.406 122.820 -0.013 0.000 2.030 1349 A HA 0.185 4.503 4.320 -0.004 0.000 0.215 1349 A C 2.296 179.856 177.584 -0.040 0.000 1.164 1349 A CA 1.031 53.057 52.037 -0.017 0.000 0.697 1349 A CB 0.029 19.022 19.000 -0.011 0.000 0.827 1349 A HN 0.385 nan 8.150 nan 0.000 0.457 1350 A N -0.435 122.342 122.820 -0.072 0.000 2.123 1350 A HA 0.370 4.687 4.320 -0.004 0.000 0.214 1350 A C 0.824 178.360 177.584 -0.080 0.000 1.152 1350 A CA 0.251 52.237 52.037 -0.085 0.000 0.728 1350 A CB -0.414 18.518 19.000 -0.114 0.000 0.814 1350 A HN 0.227 nan 8.150 nan 0.000 0.464 1351 V N 2.474 122.351 119.914 -0.061 0.000 2.521 1351 V HA 0.132 4.250 4.120 -0.004 0.000 0.286 1351 V C -2.136 173.941 176.094 -0.027 0.000 1.034 1351 V CA -1.202 61.078 62.300 -0.034 0.000 1.045 1351 V CB 0.439 32.280 31.823 0.030 0.000 0.974 1351 V HN 0.273 nan 8.190 nan 0.000 0.480 1352 P HA 0.079 nan 4.420 nan 0.000 0.267 1352 P C 0.834 178.122 177.300 -0.022 0.000 1.200 1352 P CA -0.030 63.053 63.100 -0.028 0.000 0.772 1352 P CB 0.592 32.275 31.700 -0.027 0.000 0.855 1353 E N 1.435 121.621 120.200 -0.023 0.000 2.268 1353 E HA -0.225 4.123 4.350 -0.004 0.000 0.195 1353 E C 1.536 178.125 176.600 -0.019 0.000 0.995 1353 E CA 0.723 57.109 56.400 -0.022 0.000 0.836 1353 E CB -0.160 29.526 29.700 -0.024 0.000 0.763 1353 E HN 0.461 nan 8.360 nan 0.000 0.491 1354 N N 1.244 119.934 118.700 -0.017 0.000 2.094 1354 N HA -0.174 4.564 4.740 -0.004 0.000 0.191 1354 N C 1.529 177.033 175.510 -0.010 0.000 1.023 1354 N CA 1.384 54.427 53.050 -0.013 0.000 0.857 1354 N CB -0.048 38.431 38.487 -0.012 0.000 1.013 1354 N HN 0.145 nan 8.380 nan 0.000 0.426 1355 I N -0.886 119.678 120.570 -0.009 0.000 3.035 1355 I HA 0.015 4.182 4.170 -0.004 0.000 0.271 1355 I C 2.161 178.270 176.117 -0.014 0.000 1.190 1355 I CA 0.238 61.535 61.300 -0.005 0.000 1.472 1355 I CB -0.158 37.843 38.000 0.002 0.000 1.116 1355 I HN 0.155 nan 8.210 nan 0.000 0.443 1356 M N 1.093 120.683 119.600 -0.018 0.000 2.108 1356 M HA -0.173 4.305 4.480 -0.004 0.000 0.261 1356 M C 2.343 178.623 176.300 -0.033 0.000 1.066 1356 M CA 1.921 57.204 55.300 -0.029 0.000 1.107 1356 M CB -0.203 32.382 32.600 -0.026 0.000 1.356 1356 M HN -0.002 nan 8.290 nan 0.000 0.406 1357 R N 0.338 120.823 120.500 -0.024 0.000 2.092 1357 R HA -0.109 4.229 4.340 -0.004 0.000 0.231 1357 R C 1.887 178.176 176.300 -0.019 0.000 1.119 1357 R CA 1.671 57.758 56.100 -0.021 0.000 0.970 1357 R CB -0.396 29.894 30.300 -0.016 0.000 0.864 1357 R HN 0.567 nan 8.270 nan 0.000 0.440 1358 K N 0.088 120.479 120.400 -0.016 0.000 2.404 1358 K HA 0.029 4.346 4.320 -0.004 0.000 0.194 1358 K C 1.439 178.029 176.600 -0.016 0.000 1.023 1358 K CA 0.414 56.694 56.287 -0.012 0.000 1.094 1358 K CB 0.368 32.865 32.500 -0.005 0.000 0.841 1358 K HN 0.114 nan 8.250 nan 0.000 0.523 1359 Q N 0.820 120.601 119.800 -0.030 0.000 2.163 1359 Q HA 0.055 4.393 4.340 -0.004 0.000 0.198 1359 Q C 0.353 176.327 176.000 -0.043 0.000 0.954 1359 Q CA 0.939 56.714 55.803 -0.047 0.000 0.851 1359 Q CB 0.466 29.151 28.738 -0.087 0.000 0.928 1359 Q HN 0.450 nan 8.270 nan 0.000 0.459 1360 G N 0.639 109.417 108.800 -0.037 0.000 2.605 1360 G HA2 0.538 4.495 3.960 -0.004 0.000 0.304 1360 G HA3 0.538 4.495 3.960 -0.004 0.000 0.304 1360 G C -0.971 173.898 174.900 -0.051 0.000 1.333 1360 G CA -0.530 44.545 45.100 -0.041 0.000 0.973 1360 G HN 0.029 nan 8.290 nan 0.000 0.507 1361 I N 2.769 123.293 120.570 -0.077 0.000 2.315 1361 I HA 0.367 4.535 4.170 -0.004 0.000 0.291 1361 I C 0.674 176.748 176.117 -0.071 0.000 1.006 1361 I CA -0.412 60.831 61.300 -0.096 0.000 1.265 1361 I CB 1.772 39.680 38.000 -0.154 0.000 1.387 1361 I HN 0.512 nan 8.210 nan 0.000 0.475 1362 T N 2.387 116.907 114.554 -0.057 0.000 2.932 1362 T HA 0.430 4.777 4.350 -0.004 0.000 0.289 1362 T C -2.205 172.484 174.700 -0.018 0.000 1.039 1362 T CA -2.169 59.915 62.100 -0.027 0.000 1.024 1362 T CB 1.975 70.845 68.868 0.004 0.000 1.090 1362 T HN 0.199 nan 8.240 nan 0.000 0.496 1363 P HA 0.005 nan 4.420 nan 0.000 0.226 1363 P C 0.734 178.270 177.300 0.393 0.000 1.146 1363 P CA 0.746 63.974 63.100 0.213 0.000 0.773 1363 P CB 0.028 31.784 31.700 0.094 0.000 0.772 1364 E N -1.118 119.203 120.200 0.203 0.000 2.427 1364 E HA 0.038 4.385 4.350 -0.004 0.000 0.196 1364 E C 0.462 177.128 176.600 0.110 0.000 1.028 1364 E CA 0.225 56.732 56.400 0.179 0.000 0.864 1364 E CB -0.346 29.427 29.700 0.122 0.000 0.813 1364 E HN 0.285 nan 8.360 nan 0.000 0.514 1365 L N 0.788 122.033 121.223 0.036 0.000 2.326 1365 L HA 0.353 4.691 4.340 -0.004 0.000 0.278 1365 L C -0.401 176.370 176.870 -0.164 0.000 1.092 1365 L CA -0.789 54.000 54.840 -0.085 0.000 0.810 1365 L CB 1.173 43.170 42.059 -0.103 0.000 1.153 1365 L HN -0.189 nan 8.230 nan 0.000 0.439 1366 V N 3.348 123.018 119.914 -0.407 0.000 2.588 1366 V HA 0.445 4.563 4.120 -0.004 0.000 0.304 1366 V C -0.173 175.529 176.094 -0.654 0.000 1.042 1366 V CA -0.714 61.268 62.300 -0.530 0.000 0.877 1366 V CB 2.064 33.430 31.823 -0.761 0.000 0.996 1366 V HN 0.692 nan 8.190 nan 0.000 0.425 1367 R N 3.836 124.142 120.500 -0.324 0.000 2.294 1367 R HA 0.697 5.035 4.340 -0.004 0.000 0.319 1367 R C -1.277 174.910 176.300 -0.190 0.000 0.984 1367 R CA -0.507 55.459 56.100 -0.223 0.000 0.861 1367 R CB 1.444 31.713 30.300 -0.053 0.000 1.104 1367 R HN 0.786 nan 8.270 nan 0.000 0.451 1368 I N 2.104 122.525 120.570 -0.250 0.000 2.474 1368 I HA 0.238 4.406 4.170 -0.004 0.000 0.294 1368 I C -0.960 175.017 176.117 -0.232 0.000 1.005 1368 I CA -0.293 60.887 61.300 -0.199 0.000 1.113 1368 I CB 2.126 40.045 38.000 -0.136 0.000 1.289 1368 I HN 0.517 nan 8.210 nan 0.000 0.436 1369 S N 6.590 122.220 115.700 -0.116 0.000 2.577 1369 S HA 0.419 4.886 4.470 -0.004 0.000 0.294 1369 S C -0.758 173.845 174.600 0.005 0.000 1.161 1369 S CA -0.552 57.595 58.200 -0.089 0.000 1.143 1369 S CB 0.502 63.610 63.200 -0.153 0.000 0.991 1369 S HN 0.400 nan 8.310 nan 0.000 0.475 1370 V N 5.701 125.683 119.914 0.113 0.000 2.439 1370 V HA 0.371 4.489 4.120 -0.004 0.000 0.271 1370 V C 1.514 177.780 176.094 0.287 0.000 1.040 1370 V CA 0.180 62.596 62.300 0.193 0.000 1.002 1370 V CB 0.421 32.413 31.823 0.281 0.000 1.000 1370 V HN 0.882 nan 8.190 nan 0.000 0.477 1371 G N 4.143 113.067 108.800 0.206 0.000 2.485 1371 G HA2 0.352 4.309 3.960 -0.004 0.000 0.260 1371 G HA3 0.352 4.309 3.960 -0.004 0.000 0.260 1371 G C 0.654 175.602 174.900 0.079 0.000 1.459 1371 G CA -0.155 45.083 45.100 0.231 0.000 1.060 1371 G HN 0.927 nan 8.290 nan 0.000 0.546 1372 I N -2.263 118.268 120.570 -0.064 0.000 3.941 1372 I HA 0.397 4.564 4.170 -0.004 0.000 0.335 1372 I C -0.157 175.924 176.117 -0.059 0.000 1.402 1372 I CA -0.367 60.849 61.300 -0.140 0.000 1.112 1372 I CB 0.025 37.875 38.000 -0.249 0.000 1.043 1372 I HN 0.105 nan 8.210 nan 0.000 0.395 1373 E N 2.211 122.398 120.200 -0.023 0.000 2.438 1373 E HA -0.020 4.327 4.350 -0.004 0.000 0.261 1373 E C 0.004 176.596 176.600 -0.013 0.000 1.103 1373 E CA -0.024 56.368 56.400 -0.014 0.000 0.959 1373 E CB 0.178 29.877 29.700 -0.003 0.000 0.958 1373 E HN 0.369 nan 8.360 nan 0.000 0.447 1374 N N 0.730 119.421 118.700 -0.015 0.000 2.359 1374 N HA -0.125 4.613 4.740 -0.004 0.000 0.261 1374 N C 0.754 176.252 175.510 -0.020 0.000 1.267 1374 N CA 0.106 53.145 53.050 -0.017 0.000 0.864 1374 N CB 0.634 39.110 38.487 -0.018 0.000 1.063 1374 N HN 0.374 nan 8.380 nan 0.000 0.474 1375 V N 3.398 123.301 119.914 -0.018 0.000 2.392 1375 V HA -0.238 3.879 4.120 -0.004 0.000 0.249 1375 V C 1.123 177.180 176.094 -0.061 0.000 1.059 1375 V CA 2.115 64.401 62.300 -0.023 0.000 1.051 1375 V CB -0.451 31.364 31.823 -0.012 0.000 0.658 1375 V HN 0.784 nan 8.190 nan 0.000 0.455 1376 D N -0.215 120.147 120.400 -0.064 0.000 2.178 1376 D HA -0.145 4.493 4.640 -0.004 0.000 0.201 1376 D C 1.851 178.095 176.300 -0.094 0.000 0.980 1376 D CA 1.490 55.435 54.000 -0.092 0.000 0.842 1376 D CB -0.316 40.444 40.800 -0.067 0.000 0.948 1376 D HN 0.508 nan 8.370 nan 0.000 0.472 1377 D N 0.518 120.881 120.400 -0.061 0.000 2.117 1377 D HA -0.070 4.567 4.640 -0.004 0.000 0.197 1377 D C 2.330 178.597 176.300 -0.055 0.000 0.987 1377 D CA 0.395 54.365 54.000 -0.049 0.000 0.829 1377 D CB -0.208 40.575 40.800 -0.029 0.000 0.961 1377 D HN 0.279 nan 8.370 nan 0.000 0.460 1378 I N 0.603 121.142 120.570 -0.051 0.000 2.179 1378 I HA -0.219 3.949 4.170 -0.004 0.000 0.242 1378 I C 2.416 178.477 176.117 -0.093 0.000 1.088 1378 I CA 0.752 62.028 61.300 -0.040 0.000 1.357 1378 I CB -0.158 37.840 38.000 -0.005 0.000 1.051 1378 I HN -0.058 nan 8.210 nan 0.000 0.409 1379 I N 0.811 121.269 120.570 -0.187 0.000 2.226 1379 I HA -0.293 3.875 4.170 -0.004 0.000 0.245 1379 I C 2.781 178.659 176.117 -0.398 0.000 1.100 1379 I CA 1.401 62.440 61.300 -0.435 0.000 1.374 1379 I CB -0.457 37.176 38.000 -0.612 0.000 1.057 1379 I HN 0.193 nan 8.210 nan 0.000 0.413 1380 A N 0.195 122.875 122.820 -0.233 0.000 1.933 1380 A HA -0.291 4.027 4.320 -0.004 0.000 0.218 1380 A C 1.977 179.520 177.584 -0.067 0.000 1.175 1380 A CA 2.254 54.210 52.037 -0.135 0.000 0.628 1380 A CB -0.642 18.306 19.000 -0.086 0.000 0.814 1380 A HN 0.459 nan 8.150 nan 0.000 0.444 1381 D N -0.189 120.178 120.400 -0.054 0.000 2.117 1381 D HA -0.093 4.545 4.640 -0.004 0.000 0.198 1381 D C 1.804 178.111 176.300 0.012 0.000 0.982 1381 D CA 1.171 55.165 54.000 -0.010 0.000 0.828 1381 D CB -0.189 40.609 40.800 -0.003 0.000 0.967 1381 D HN 0.422 nan 8.370 nan 0.000 0.464 1382 L N -0.072 121.153 121.223 0.005 0.000 2.093 1382 L HA -0.071 4.266 4.340 -0.004 0.000 0.208 1382 L C 2.575 179.488 176.870 0.071 0.000 1.085 1382 L CA 0.931 55.802 54.840 0.053 0.000 0.755 1382 L CB -0.397 41.723 42.059 0.102 0.000 0.904 1382 L HN 0.020 nan 8.230 nan 0.000 0.435 1383 K N 0.540 120.987 120.400 0.078 0.000 2.009 1383 K HA -0.270 4.048 4.320 -0.004 0.000 0.210 1383 K C 2.210 178.869 176.600 0.100 0.000 1.049 1383 K CA 2.009 58.389 56.287 0.155 0.000 0.929 1383 K CB 0.008 32.579 32.500 0.119 0.000 0.714 1383 K HN 0.347 nan 8.250 nan 0.000 0.440 1384 Q N -0.093 119.744 119.800 0.061 0.000 2.167 1384 Q HA -0.043 4.294 4.340 -0.004 0.000 0.202 1384 Q C 1.727 177.760 176.000 0.054 0.000 0.970 1384 Q CA 1.626 57.464 55.803 0.058 0.000 0.855 1384 Q CB -0.423 28.341 28.738 0.043 0.000 0.911 1384 Q HN 0.304 nan 8.270 nan 0.000 0.438 1385 A N 0.861 123.712 122.820 0.053 0.000 1.929 1385 A HA 0.054 4.371 4.320 -0.004 0.000 0.216 1385 A C 2.092 179.693 177.584 0.029 0.000 1.176 1385 A CA 0.998 53.067 52.037 0.052 0.000 0.628 1385 A CB -0.547 18.500 19.000 0.079 0.000 0.816 1385 A HN 0.391 nan 8.150 nan 0.000 0.444 1386 L N -0.927 120.307 121.223 0.019 0.000 2.291 1386 L HA -0.036 4.302 4.340 -0.004 0.000 0.214 1386 L C 1.215 178.131 176.870 0.075 0.000 1.120 1386 L CA 0.842 55.682 54.840 0.000 0.000 0.799 1386 L CB -0.134 41.806 42.059 -0.199 0.000 0.925 1386 L HN 0.386 nan 8.230 nan 0.000 0.446 1387 E N 0.028 120.279 120.200 0.086 0.000 2.609 1387 E HA 0.229 4.576 4.350 -0.004 0.000 0.208 1387 E C -0.119 176.524 176.600 0.070 0.000 1.013 1387 E CA -0.265 56.193 56.400 0.098 0.000 1.093 1387 E CB 0.490 30.266 29.700 0.127 0.000 1.129 1387 E HN 0.317 nan 8.360 nan 0.000 0.450 1388 L N 1.299 122.544 121.223 0.037 0.000 2.464 1388 L HA 0.159 4.496 4.340 -0.004 0.000 0.264 1388 L C 0.887 177.804 176.870 0.079 0.000 1.199 1388 L CA -0.411 54.450 54.840 0.035 0.000 0.818 1388 L CB 0.465 42.483 42.059 -0.068 0.000 1.102 1388 L HN 0.378 nan 8.230 nan 0.000 0.473 1389 W N 0.000 121.268 121.300 -0.054 0.000 2.388 1389 W HA 0.000 4.658 4.660 -0.004 0.000 0.303 1389 W CA 0.000 57.321 57.345 -0.041 0.000 1.226 1389 W CB 0.000 29.439 29.460 -0.034 0.000 1.126 1389 W HN 0.000 nan 8.180 nan 0.000 0.535