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 2akz_1_B DATA FIRST_RESID 1001 DATA SEQUENCE SIEKIWAREI LDSRGNPTVE VDLYTAKGLF RAAVPSGAST GIYEALELRD DATA SEQUENCE GDKQRYLGKG VLKAVDHINS TIAPALISSG LSVVEQEKLD NLMLELDGTE DATA SEQUENCE NKSKFGANAI LGVSLAVCKA GAAERELPLY RHIAQLAGNS DLILPVPAFN DATA SEQUENCE VINGGSHAGN KLAMQEFMIL PVGAESFRDA MRLGAEVYHT LKGVIKDKYG DATA SEQUENCE KDATNVGDEG GFAPNILENS EALELVKEAI DKAGYTEKIV IGMDVAASEF DATA SEQUENCE YRDGKYDLDF KSPTDPSRYI TGDQLGALYQ DFVRDYPVVS IEDPFDQDDW DATA SEQUENCE AAWSKFTANV GIQIVGDDLT VTNPKRIERA VEEKACNCLL LKVNQIGSVT DATA SEQUENCE EAIQACKLAQ ENGWGVMVSH RSGETEDTFI ADLVVGLCTG QIKTGAPCRS DATA SEQUENCE ERLAKYNQLM RIEEELGDEA RFAGHNFRNP SV 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 1001 S HA 0.000 nan 4.470 nan 0.000 0.327 1001 S C 0.000 174.624 174.600 0.041 0.000 1.055 1001 S CA 0.000 58.214 58.200 0.023 0.000 1.107 1001 S CB 0.000 63.214 63.200 0.023 0.000 0.593 1002 I N 1.943 122.542 120.570 0.047 0.000 2.441 1002 I HA 0.279 4.449 4.170 0.000 0.000 0.287 1002 I C 1.410 177.577 176.117 0.083 0.000 1.049 1002 I CA -0.253 61.092 61.300 0.076 0.000 1.381 1002 I CB 0.863 38.904 38.000 0.069 0.000 1.409 1002 I HN 0.816 nan 8.210 nan 0.000 0.523 1003 E N 4.485 124.754 120.200 0.115 0.000 2.140 1003 E HA 0.066 4.416 4.350 0.000 0.000 0.191 1003 E C 0.335 176.982 176.600 0.078 0.000 0.973 1003 E CA 0.597 57.049 56.400 0.087 0.000 0.829 1003 E CB 0.520 30.274 29.700 0.091 0.000 0.781 1003 E HN 0.428 nan 8.360 nan 0.000 0.466 1004 K N 0.453 120.944 120.400 0.151 0.000 2.572 1004 K HA 0.372 4.692 4.320 0.000 0.000 0.263 1004 K C -2.007 174.766 176.600 0.288 0.000 0.932 1004 K CA -0.363 56.016 56.287 0.154 0.000 0.838 1004 K CB 1.454 33.961 32.500 0.012 0.000 1.366 1004 K HN -0.115 nan 8.250 nan 0.000 0.425 1005 I N 3.193 123.912 120.570 0.249 0.000 2.498 1005 I HA 0.465 4.635 4.170 0.000 0.000 0.290 1005 I C -1.222 175.106 176.117 0.353 0.000 1.032 1005 I CA -0.581 60.873 61.300 0.258 0.000 1.073 1005 I CB 1.678 39.760 38.000 0.136 0.000 1.251 1005 I HN 0.558 nan 8.210 nan 0.000 0.426 1006 W N 7.191 128.562 121.300 0.119 0.000 2.830 1006 W HA 0.766 5.426 4.660 0.000 0.000 0.335 1006 W C -1.501 175.049 176.519 0.051 0.000 1.043 1006 W CA -0.646 56.748 57.345 0.080 0.000 1.239 1006 W CB 1.961 31.488 29.460 0.112 0.000 1.378 1006 W HN 0.542 nan 8.180 nan 0.000 0.456 1007 A N 6.020 128.405 122.820 -0.725 0.000 2.320 1007 A HA 0.914 5.234 4.320 0.000 0.000 0.334 1007 A C -0.762 176.366 177.584 -0.761 0.000 1.147 1007 A CA -0.743 50.965 52.037 -0.550 0.000 0.820 1007 A CB 1.545 20.317 19.000 -0.379 0.000 1.218 1007 A HN 0.760 nan 8.150 nan 0.000 0.482 1008 R N 0.517 120.807 120.500 -0.351 0.000 2.781 1008 R HA 0.607 4.947 4.340 0.000 0.000 0.269 1008 R C -1.057 175.163 176.300 -0.134 0.000 1.025 1008 R CA -0.756 55.215 56.100 -0.214 0.000 0.914 1008 R CB 1.189 31.466 30.300 -0.038 0.000 1.236 1008 R HN 0.641 nan 8.270 nan 0.000 0.465 1009 E N 2.200 122.343 120.200 -0.095 0.000 2.200 1009 E HA 0.337 4.687 4.350 0.000 0.000 0.283 1009 E C -0.413 176.148 176.600 -0.066 0.000 1.015 1009 E CA -0.724 55.619 56.400 -0.095 0.000 0.819 1009 E CB 0.824 30.464 29.700 -0.099 0.000 1.081 1009 E HN 0.482 nan 8.360 nan 0.000 0.397 1010 I N 0.771 121.294 120.570 -0.079 0.000 3.264 1010 I HA 0.505 4.675 4.170 0.000 0.000 0.309 1010 I C -1.005 175.058 176.117 -0.089 0.000 1.099 1010 I CA -1.322 59.946 61.300 -0.053 0.000 0.989 1010 I CB 1.336 39.318 38.000 -0.030 0.000 1.250 1010 I HN 0.339 nan 8.210 nan 0.000 0.478 1011 L N 1.973 123.163 121.223 -0.056 0.000 2.317 1011 L HA 0.423 4.763 4.340 0.000 0.000 0.281 1011 L C -0.592 176.252 176.870 -0.043 0.000 1.024 1011 L CA -0.793 54.008 54.840 -0.065 0.000 0.810 1011 L CB 1.474 43.524 42.059 -0.015 0.000 1.240 1011 L HN 0.743 nan 8.230 nan 0.000 0.427 1012 D N 0.352 120.720 120.400 -0.053 0.000 2.447 1012 D HA 0.034 4.674 4.640 0.000 0.000 0.265 1012 D C 1.032 177.318 176.300 -0.024 0.000 1.250 1012 D CA -0.315 53.662 54.000 -0.039 0.000 1.046 1012 D CB 0.644 41.414 40.800 -0.050 0.000 1.095 1012 D HN 0.465 nan 8.370 nan 0.000 0.555 1013 S N -1.420 114.265 115.700 -0.025 0.000 2.555 1013 S HA -0.059 4.412 4.470 0.000 0.000 0.230 1013 S C 1.404 175.995 174.600 -0.014 0.000 0.978 1013 S CA 0.214 58.405 58.200 -0.016 0.000 0.934 1013 S CB -0.334 62.854 63.200 -0.020 0.000 0.766 1013 S HN 0.481 nan 8.310 nan 0.000 0.533 1014 R N 0.288 120.777 120.500 -0.020 0.000 2.362 1014 R HA 0.271 4.611 4.340 0.000 0.000 0.227 1014 R C 1.188 177.495 176.300 0.011 0.000 0.905 1014 R CA 0.435 56.530 56.100 -0.008 0.000 1.067 1014 R CB 0.257 30.546 30.300 -0.019 0.000 1.078 1014 R HN 0.570 nan 8.270 nan 0.000 0.516 1015 G N 1.379 110.186 108.800 0.011 0.000 2.132 1015 G HA2 -0.209 3.751 3.960 0.000 0.000 0.234 1015 G HA3 -0.209 3.751 3.960 0.000 0.000 0.234 1015 G C -0.401 174.518 174.900 0.032 0.000 0.989 1015 G CA -0.378 44.745 45.100 0.037 0.000 0.676 1015 G HN 0.232 nan 8.290 nan 0.000 0.522 1016 N N 0.911 119.596 118.700 -0.025 0.000 2.456 1016 N HA 0.524 5.265 4.740 0.000 0.000 0.296 1016 N C -2.770 172.629 175.510 -0.186 0.000 1.102 1016 N CA -1.519 51.483 53.050 -0.079 0.000 0.924 1016 N CB 1.683 40.140 38.487 -0.049 0.000 1.186 1016 N HN -0.016 nan 8.380 nan 0.000 0.492 1017 P HA 0.063 nan 4.420 nan 0.000 0.267 1017 P C -0.177 177.005 177.300 -0.197 0.000 1.200 1017 P CA 0.385 63.261 63.100 -0.374 0.000 0.772 1017 P CB 0.666 32.048 31.700 -0.529 0.000 0.855 1018 T N 1.098 115.558 114.554 -0.157 0.000 2.787 1018 T HA 0.387 4.737 4.350 0.000 0.000 0.297 1018 T C -1.157 173.482 174.700 -0.100 0.000 1.221 1018 T CA -0.610 61.425 62.100 -0.108 0.000 1.006 1018 T CB 0.757 69.576 68.868 -0.081 0.000 1.328 1018 T HN -0.058 nan 8.240 nan 0.000 0.509 1019 V N 2.706 122.569 119.914 -0.085 0.000 2.498 1019 V HA 0.503 4.623 4.120 0.000 0.000 0.279 1019 V C 0.275 176.323 176.094 -0.076 0.000 1.048 1019 V CA -0.209 62.038 62.300 -0.088 0.000 0.967 1019 V CB 1.123 32.898 31.823 -0.080 0.000 0.988 1019 V HN 0.836 nan 8.190 nan 0.000 0.473 1020 E N 3.746 123.898 120.200 -0.080 0.000 2.238 1020 E HA 0.692 5.042 4.350 0.000 0.000 0.267 1020 E C -1.888 174.672 176.600 -0.068 0.000 0.887 1020 E CA -0.585 55.781 56.400 -0.057 0.000 0.769 1020 E CB 2.323 32.003 29.700 -0.033 0.000 1.187 1020 E HN 0.428 nan 8.360 nan 0.000 0.416 1021 V N 3.443 123.332 119.914 -0.042 0.000 2.588 1021 V HA 0.312 4.432 4.120 0.000 0.000 0.304 1021 V C -1.078 175.026 176.094 0.018 0.000 1.042 1021 V CA -0.910 61.374 62.300 -0.026 0.000 0.877 1021 V CB 1.968 33.772 31.823 -0.032 0.000 0.996 1021 V HN 0.719 nan 8.190 nan 0.000 0.425 1022 D N 3.961 124.402 120.400 0.069 0.000 2.256 1022 D HA 0.591 5.232 4.640 0.000 0.000 0.240 1022 D C -0.672 175.681 176.300 0.088 0.000 1.062 1022 D CA 0.012 54.040 54.000 0.047 0.000 0.832 1022 D CB 2.172 43.054 40.800 0.136 0.000 1.135 1022 D HN 0.417 nan 8.370 nan 0.000 0.484 1023 L N 3.173 124.398 121.223 0.004 0.000 2.381 1023 L HA 0.450 4.790 4.340 0.000 0.000 0.274 1023 L C -1.593 175.319 176.870 0.069 0.000 0.988 1023 L CA -0.745 54.173 54.840 0.131 0.000 0.824 1023 L CB 0.980 43.128 42.059 0.148 0.000 1.263 1023 L HN 0.264 nan 8.230 nan 0.000 0.410 1024 Y N 2.637 123.039 120.300 0.170 0.000 2.377 1024 Y HA 0.669 5.219 4.550 0.000 0.000 0.339 1024 Y C 0.636 176.635 175.900 0.166 0.000 1.011 1024 Y CA -0.430 57.762 58.100 0.153 0.000 1.093 1024 Y CB 2.201 40.706 38.460 0.077 0.000 1.201 1024 Y HN 0.639 nan 8.280 nan 0.000 0.455 1025 T N -2.068 112.699 114.554 0.355 0.000 2.742 1025 T HA 0.657 5.007 4.350 0.000 0.000 0.282 1025 T C 0.916 175.742 174.700 0.209 0.000 1.025 1025 T CA -0.397 61.850 62.100 0.244 0.000 1.020 1025 T CB 1.244 70.230 68.868 0.197 0.000 1.317 1025 T HN 0.566 nan 8.240 nan 0.000 0.538 1026 A N 0.052 122.956 122.820 0.139 0.000 2.121 1026 A HA 0.059 4.379 4.320 0.000 0.000 0.218 1026 A C 1.985 179.641 177.584 0.119 0.000 1.154 1026 A CA 0.809 52.910 52.037 0.106 0.000 0.679 1026 A CB -0.701 18.339 19.000 0.068 0.000 0.795 1026 A HN 0.640 nan 8.150 nan 0.000 0.458 1027 K N -0.790 119.718 120.400 0.181 0.000 2.418 1027 K HA 0.244 4.564 4.320 0.000 0.000 0.195 1027 K C 0.992 177.695 176.600 0.170 0.000 1.035 1027 K CA 0.849 57.260 56.287 0.206 0.000 1.003 1027 K CB 0.016 32.693 32.500 0.296 0.000 0.793 1027 K HN 0.625 nan 8.250 nan 0.000 0.494 1028 G N 0.916 109.791 108.800 0.126 0.000 2.270 1028 G HA2 -0.071 3.889 3.960 0.000 0.000 0.268 1028 G HA3 -0.071 3.889 3.960 0.000 0.000 0.268 1028 G C -2.019 172.653 174.900 -0.380 0.000 1.312 1028 G CA -0.764 44.251 45.100 -0.142 0.000 1.050 1028 G HN 0.073 nan 8.290 nan 0.000 0.474 1029 L N 0.332 121.125 121.223 -0.716 0.000 2.295 1029 L HA 0.888 5.229 4.340 0.000 0.000 0.285 1029 L C -1.198 174.979 176.870 -1.155 0.000 1.035 1029 L CA -1.027 53.280 54.840 -0.888 0.000 0.806 1029 L CB 0.644 42.294 42.059 -0.682 0.000 1.214 1029 L HN 0.431 nan 8.230 nan 0.000 0.426 1030 F N 4.826 124.639 119.950 -0.230 0.000 2.477 1030 F HA 0.617 5.144 4.527 0.000 0.000 0.335 1030 F C 0.088 175.822 175.800 -0.110 0.000 1.130 1030 F CA -0.573 57.358 58.000 -0.116 0.000 0.948 1030 F CB 1.497 40.458 39.000 -0.066 0.000 1.154 1030 F HN 0.440 nan 8.300 nan 0.000 0.439 1031 R N 2.256 122.788 120.500 0.052 0.000 2.599 1031 R HA 0.930 5.270 4.340 0.000 0.000 0.295 1031 R C -1.614 174.716 176.300 0.050 0.000 0.963 1031 R CA -0.643 55.468 56.100 0.018 0.000 0.883 1031 R CB 1.760 32.046 30.300 -0.023 0.000 1.171 1031 R HN 0.839 nan 8.270 nan 0.000 0.450 1032 A N 2.273 125.107 122.820 0.022 0.000 2.539 1032 A HA 0.863 5.183 4.320 0.000 0.000 0.296 1032 A C -1.667 175.903 177.584 -0.023 0.000 1.073 1032 A CA -0.480 51.560 52.037 0.004 0.000 0.700 1032 A CB 1.971 20.950 19.000 -0.036 0.000 1.296 1032 A HN 0.836 nan 8.150 nan 0.000 0.405 1033 A N 0.157 122.961 122.820 -0.027 0.000 2.479 1033 A HA 0.789 5.109 4.320 0.000 0.000 0.296 1033 A C -1.165 176.389 177.584 -0.051 0.000 1.121 1033 A CA -0.534 51.480 52.037 -0.038 0.000 0.743 1033 A CB 1.411 20.397 19.000 -0.024 0.000 1.323 1033 A HN 1.394 nan 8.150 nan 0.000 0.415 1034 V N 2.926 122.808 119.914 -0.054 0.000 2.435 1034 V HA 0.500 4.620 4.120 0.000 0.000 0.290 1034 V C -2.004 174.064 176.094 -0.044 0.000 1.030 1034 V CA -1.295 60.971 62.300 -0.056 0.000 0.881 1034 V CB 1.457 33.245 31.823 -0.059 0.000 0.983 1034 V HN 0.876 nan 8.190 nan 0.000 0.445 1035 P HA 0.364 nan 4.420 nan 0.000 0.282 1035 P C -0.763 176.515 177.300 -0.038 0.000 1.287 1035 P CA -0.505 62.575 63.100 -0.033 0.000 0.792 1035 P CB 1.467 33.156 31.700 -0.018 0.000 1.163 1036 S N -1.336 114.337 115.700 -0.045 0.000 2.572 1036 S HA 0.610 5.080 4.470 0.000 0.000 0.274 1036 S C -0.249 174.323 174.600 -0.047 0.000 1.150 1036 S CA -0.640 57.536 58.200 -0.040 0.000 0.944 1036 S CB 0.430 63.605 63.200 -0.042 0.000 1.071 1036 S HN 0.640 nan 8.310 nan 0.000 0.479 1037 G N 1.822 110.605 108.800 -0.028 0.000 2.537 1037 G HA2 0.597 4.557 3.960 0.000 0.000 0.273 1037 G HA3 0.597 4.557 3.960 0.000 0.000 0.273 1037 G C 0.792 175.695 174.900 0.004 0.000 1.189 1037 G CA -0.042 45.048 45.100 -0.016 0.000 0.881 1037 G HN 1.030 nan 8.290 nan 0.000 0.535 1038 A N 0.066 122.912 122.820 0.045 0.000 1.944 1038 A HA 0.323 4.643 4.320 0.000 0.000 0.209 1038 A C 1.746 179.387 177.584 0.095 0.000 1.328 1038 A CA 1.132 53.219 52.037 0.084 0.000 0.693 1038 A CB -0.389 18.697 19.000 0.144 0.000 0.994 1038 A HN 1.222 nan 8.150 nan 0.000 0.485 1039 S N 2.043 117.819 115.700 0.127 0.000 3.483 1039 S HA 0.395 4.865 4.470 0.000 0.000 0.274 1039 S C 0.010 174.625 174.600 0.026 0.000 1.289 1039 S CA 0.069 58.303 58.200 0.057 0.000 0.938 1039 S CB -0.796 62.419 63.200 0.025 0.000 1.453 1039 S HN 0.572 nan 8.310 nan 0.000 0.494 1040 T N 0.447 115.008 114.554 0.011 0.000 2.767 1040 T HA 0.664 5.014 4.350 0.000 0.000 0.288 1040 T C 0.679 175.362 174.700 -0.029 0.000 0.963 1040 T CA -0.646 61.453 62.100 -0.002 0.000 1.019 1040 T CB 1.163 70.029 68.868 -0.002 0.000 0.923 1040 T HN 0.587 nan 8.240 nan 0.000 0.468 1041 G N 1.968 110.752 108.800 -0.027 0.000 2.527 1041 G HA2 0.395 4.355 3.960 0.000 0.000 0.248 1041 G HA3 0.395 4.355 3.960 0.000 0.000 0.248 1041 G C 1.131 175.966 174.900 -0.107 0.000 1.231 1041 G CA -0.862 44.205 45.100 -0.056 0.000 0.838 1041 G HN 1.053 nan 8.290 nan 0.000 0.570 1042 I N -1.370 119.058 120.570 -0.237 0.000 2.756 1042 I HA -0.030 4.140 4.170 0.000 0.000 0.262 1042 I C 1.133 177.001 176.117 -0.414 0.000 1.225 1042 I CA 0.930 62.011 61.300 -0.364 0.000 1.472 1042 I CB -0.178 37.504 38.000 -0.529 0.000 1.094 1042 I HN 0.502 nan 8.210 nan 0.000 0.454 1043 Y N 1.749 122.039 120.300 -0.017 0.000 2.457 1043 Y HA 0.310 4.861 4.550 0.000 0.000 0.263 1043 Y C 0.891 176.786 175.900 -0.009 0.000 1.164 1043 Y CA -0.573 57.521 58.100 -0.009 0.000 1.274 1043 Y CB 0.029 38.487 38.460 -0.003 0.000 1.097 1043 Y HN 0.188 nan 8.280 nan 0.000 0.523 1044 E N 1.296 121.543 120.200 0.077 0.000 2.415 1044 E HA 0.234 4.584 4.350 0.000 0.000 0.262 1044 E C 0.238 176.859 176.600 0.036 0.000 1.038 1044 E CA -0.278 56.153 56.400 0.050 0.000 0.921 1044 E CB 0.779 30.491 29.700 0.020 0.000 0.950 1044 E HN 0.274 nan 8.360 nan 0.000 0.438 1045 A N 2.641 125.478 122.820 0.029 0.000 2.507 1045 A HA 0.023 4.343 4.320 0.000 0.000 0.235 1045 A C -0.080 177.508 177.584 0.006 0.000 1.070 1045 A CA -0.307 51.739 52.037 0.015 0.000 0.768 1045 A CB 0.146 19.150 19.000 0.007 0.000 1.011 1045 A HN 0.527 nan 8.150 nan 0.000 0.502 1046 L N 1.086 122.310 121.223 0.000 0.000 2.462 1046 L HA 0.171 4.511 4.340 0.000 0.000 0.272 1046 L C 0.670 177.542 176.870 0.004 0.000 1.166 1046 L CA 0.429 55.269 54.840 -0.000 0.000 0.880 1046 L CB 0.367 42.424 42.059 -0.004 0.000 1.142 1046 L HN 0.757 nan 8.230 nan 0.000 0.473 1047 E N 5.096 125.298 120.200 0.003 0.000 2.089 1047 E HA 0.204 4.554 4.350 0.000 0.000 0.284 1047 E C -1.147 175.460 176.600 0.012 0.000 1.023 1047 E CA -0.841 55.562 56.400 0.004 0.000 0.819 1047 E CB 0.848 30.546 29.700 -0.003 0.000 1.076 1047 E HN 0.615 nan 8.360 nan 0.000 0.396 1048 L N 5.967 127.205 121.223 0.025 0.000 2.281 1048 L HA 0.308 4.648 4.340 0.000 0.000 0.285 1048 L C -0.697 176.188 176.870 0.026 0.000 1.074 1048 L CA 0.013 54.878 54.840 0.041 0.000 0.817 1048 L CB 0.460 42.569 42.059 0.083 0.000 1.168 1048 L HN 0.492 nan 8.230 nan 0.000 0.434 1049 R N 3.317 123.830 120.500 0.021 0.000 2.778 1049 R HA 0.321 4.661 4.340 0.000 0.000 0.277 1049 R C -0.029 176.283 176.300 0.020 0.000 0.977 1049 R CA -0.775 55.332 56.100 0.012 0.000 0.950 1049 R CB 1.315 31.621 30.300 0.009 0.000 1.165 1049 R HN 0.580 nan 8.270 nan 0.000 0.474 1050 D N 0.410 120.820 120.400 0.016 0.000 2.194 1050 D HA 0.022 4.662 4.640 0.000 0.000 0.204 1050 D C 1.090 177.406 176.300 0.026 0.000 0.964 1050 D CA 1.415 55.427 54.000 0.020 0.000 0.846 1050 D CB 0.105 40.916 40.800 0.019 0.000 0.962 1050 D HN 0.915 nan 8.370 nan 0.000 0.490 1051 G N 1.460 110.278 108.800 0.030 0.000 2.143 1051 G HA2 -0.260 3.700 3.960 0.000 0.000 0.248 1051 G HA3 -0.260 3.700 3.960 0.000 0.000 0.248 1051 G C -0.111 174.807 174.900 0.031 0.000 0.991 1051 G CA 0.263 45.380 45.100 0.030 0.000 0.689 1051 G HN 0.353 nan 8.290 nan 0.000 0.522 1052 D N 0.323 120.745 120.400 0.037 0.000 2.374 1052 D HA 0.337 4.977 4.640 0.000 0.000 0.240 1052 D C 1.427 177.750 176.300 0.038 0.000 1.229 1052 D CA -0.354 53.666 54.000 0.034 0.000 0.895 1052 D CB 0.404 41.225 40.800 0.037 0.000 1.046 1052 D HN 0.315 nan 8.370 nan 0.000 0.498 1053 K N 1.914 122.331 120.400 0.029 0.000 2.442 1053 K HA -0.052 4.268 4.320 0.000 0.000 0.198 1053 K C 1.288 177.901 176.600 0.023 0.000 1.042 1053 K CA 0.606 56.910 56.287 0.028 0.000 0.958 1053 K CB 0.413 32.926 32.500 0.023 0.000 0.766 1053 K HN 0.407 nan 8.250 nan 0.000 0.474 1054 Q N 0.028 119.838 119.800 0.017 0.000 2.408 1054 Q HA 0.032 4.372 4.340 0.000 0.000 0.205 1054 Q C 0.148 176.143 176.000 -0.009 0.000 0.919 1054 Q CA 0.405 56.209 55.803 0.002 0.000 0.932 1054 Q CB 0.592 29.330 28.738 -0.001 0.000 1.058 1054 Q HN 0.130 nan 8.270 nan 0.000 0.517 1055 R N -0.663 119.847 120.500 0.016 0.000 2.409 1055 R HA 0.152 4.492 4.340 0.000 0.000 0.313 1055 R C -0.919 175.448 176.300 0.111 0.000 0.953 1055 R CA -0.367 55.741 56.100 0.014 0.000 0.849 1055 R CB 0.318 30.651 30.300 0.055 0.000 1.171 1055 R HN 0.014 nan 8.270 nan 0.000 0.458 1056 Y N 4.784 125.087 120.300 0.004 0.000 3.721 1056 Y HA -0.300 4.250 4.550 0.000 0.000 0.218 1056 Y C 0.127 176.031 175.900 0.006 0.000 1.188 1056 Y CA 0.721 58.823 58.100 0.004 0.000 1.607 1056 Y CB -0.998 37.463 38.460 0.002 0.000 1.496 1056 Y HN 0.762 nan 8.280 nan 0.000 0.626 1057 L N -1.164 120.122 121.223 0.105 0.000 3.717 1057 L HA -0.299 4.041 4.340 0.000 0.000 0.414 1057 L C 1.357 178.271 176.870 0.074 0.000 1.228 1057 L CA 1.796 56.680 54.840 0.073 0.000 0.918 1057 L CB -1.673 40.427 42.059 0.070 0.000 1.865 1057 L HN 0.874 nan 8.230 nan 0.000 0.922 1058 G N -1.925 106.925 108.800 0.082 0.000 2.175 1058 G HA2 -0.329 3.631 3.960 0.000 0.000 0.244 1058 G HA3 -0.329 3.631 3.960 0.000 0.000 0.244 1058 G C 0.847 175.783 174.900 0.061 0.000 0.982 1058 G CA 0.366 45.504 45.100 0.063 0.000 0.641 1058 G HN 0.451 nan 8.290 nan 0.000 0.527 1059 K N 0.796 121.245 120.400 0.082 0.000 2.399 1059 K HA 0.351 4.671 4.320 0.000 0.000 0.204 1059 K C 1.520 178.110 176.600 -0.017 0.000 1.023 1059 K CA 0.129 56.436 56.287 0.033 0.000 1.127 1059 K CB 0.841 33.357 32.500 0.026 0.000 0.856 1059 K HN 0.396 nan 8.250 nan 0.000 0.514 1060 G N 0.981 109.798 108.800 0.029 0.000 2.664 1060 G HA2 0.122 4.083 3.960 0.000 0.000 0.242 1060 G HA3 0.122 4.083 3.960 0.000 0.000 0.242 1060 G C 0.575 175.445 174.900 -0.050 0.000 1.225 1060 G CA -0.298 44.785 45.100 -0.028 0.000 0.849 1060 G HN 0.114 nan 8.290 nan 0.000 0.581 1061 V N 0.011 119.874 119.914 -0.084 0.000 2.909 1061 V HA 0.311 4.431 4.120 0.000 0.000 0.362 1061 V C 1.583 177.632 176.094 -0.076 0.000 1.356 1061 V CA -0.232 62.026 62.300 -0.070 0.000 1.195 1061 V CB -0.458 31.315 31.823 -0.083 0.000 1.256 1061 V HN 0.622 nan 8.190 nan 0.000 0.567 1062 L N -0.289 120.897 121.223 -0.062 0.000 2.079 1062 L HA -0.119 4.221 4.340 0.000 0.000 0.210 1062 L C 2.668 179.468 176.870 -0.118 0.000 1.081 1062 L CA 2.043 56.837 54.840 -0.078 0.000 0.752 1062 L CB -0.538 41.495 42.059 -0.044 0.000 0.896 1062 L HN 0.367 nan 8.230 nan 0.000 0.433 1063 K N 0.156 120.495 120.400 -0.102 0.000 2.026 1063 K HA -0.124 4.196 4.320 0.000 0.000 0.208 1063 K C 2.311 178.788 176.600 -0.206 0.000 1.048 1063 K CA 1.340 57.517 56.287 -0.182 0.000 0.929 1063 K CB -0.310 32.144 32.500 -0.077 0.000 0.713 1063 K HN 0.272 nan 8.250 nan 0.000 0.439 1064 A N 1.224 124.027 122.820 -0.028 0.000 1.883 1064 A HA -0.144 4.176 4.320 0.000 0.000 0.217 1064 A C 2.423 179.970 177.584 -0.062 0.000 1.186 1064 A CA 1.557 53.623 52.037 0.049 0.000 0.624 1064 A CB -0.820 18.198 19.000 0.031 0.000 0.822 1064 A HN 0.076 nan 8.150 nan 0.000 0.444 1065 V N 0.566 120.399 119.914 -0.135 0.000 2.332 1065 V HA -0.283 3.837 4.120 0.000 0.000 0.248 1065 V C 2.352 178.293 176.094 -0.254 0.000 1.055 1065 V CA 2.609 64.781 62.300 -0.213 0.000 1.038 1065 V CB -0.808 30.877 31.823 -0.230 0.000 0.651 1065 V HN 0.775 nan 8.190 nan 0.000 0.450 1066 D N -1.290 118.959 120.400 -0.252 0.000 2.178 1066 D HA -0.194 4.446 4.640 0.000 0.000 0.202 1066 D C 2.077 178.221 176.300 -0.261 0.000 0.974 1066 D CA 1.075 54.917 54.000 -0.263 0.000 0.841 1066 D CB -0.094 40.541 40.800 -0.275 0.000 0.953 1066 D HN 0.523 nan 8.370 nan 0.000 0.478 1067 H N -0.144 118.817 119.070 -0.183 0.000 2.387 1067 H HA -0.029 4.527 4.556 0.000 0.000 0.299 1067 H C 2.259 177.351 175.328 -0.394 0.000 1.090 1067 H CA 0.960 56.819 56.048 -0.316 0.000 1.332 1067 H CB -0.176 29.394 29.762 -0.320 0.000 1.386 1067 H HN 0.325 nan 8.280 nan 0.000 0.516 1068 I N 0.803 121.269 120.570 -0.172 0.000 2.163 1068 I HA -0.251 3.919 4.170 0.000 0.000 0.240 1068 I C 2.068 178.086 176.117 -0.165 0.000 1.081 1068 I CA 1.039 62.227 61.300 -0.186 0.000 1.353 1068 I CB -0.167 37.732 38.000 -0.169 0.000 1.054 1068 I HN 0.133 nan 8.210 nan 0.000 0.407 1069 N N 0.262 118.842 118.700 -0.200 0.000 2.270 1069 N HA -0.088 4.652 4.740 0.000 0.000 0.181 1069 N C 1.908 177.392 175.510 -0.043 0.000 1.016 1069 N CA 1.182 54.148 53.050 -0.139 0.000 0.870 1069 N CB -0.104 38.205 38.487 -0.297 0.000 0.979 1069 N HN 0.187 nan 8.380 nan 0.000 0.431 1070 S N -1.065 114.588 115.700 -0.078 0.000 2.470 1070 S HA 0.117 4.588 4.470 0.000 0.000 0.222 1070 S C 1.491 176.064 174.600 -0.045 0.000 1.024 1070 S CA 0.666 58.842 58.200 -0.040 0.000 0.931 1070 S CB 0.555 63.727 63.200 -0.047 0.000 0.791 1070 S HN 0.344 nan 8.310 nan 0.000 0.513 1071 T N 0.811 115.300 114.554 -0.107 0.000 3.358 1071 T HA 0.353 4.703 4.350 0.000 0.000 0.263 1071 T C 1.614 176.224 174.700 -0.151 0.000 0.998 1071 T CA -0.164 61.859 62.100 -0.129 0.000 1.130 1071 T CB -0.155 68.575 68.868 -0.230 0.000 1.165 1071 T HN 0.097 nan 8.240 nan 0.000 0.426 1072 I N 2.107 122.530 120.570 -0.245 0.000 2.202 1072 I HA -0.079 4.091 4.170 0.000 0.000 0.242 1072 I C 2.917 178.999 176.117 -0.059 0.000 1.091 1072 I CA 1.201 62.407 61.300 -0.156 0.000 1.368 1072 I CB -0.397 37.492 38.000 -0.186 0.000 1.058 1072 I HN 0.232 nan 8.210 nan 0.000 0.410 1073 A N 1.800 124.591 122.820 -0.049 0.000 1.851 1073 A HA -0.146 4.174 4.320 0.000 0.000 0.216 1073 A C 0.066 177.662 177.584 0.020 0.000 1.195 1073 A CA 2.046 54.087 52.037 0.007 0.000 0.622 1073 A CB -2.138 16.886 19.000 0.040 0.000 0.831 1073 A HN 0.283 nan 8.150 nan 0.000 0.444 1074 P HA -0.075 nan 4.420 nan 0.000 0.218 1074 P C 1.545 178.857 177.300 0.020 0.000 1.149 1074 P CA 1.835 64.949 63.100 0.023 0.000 0.817 1074 P CB -0.185 31.528 31.700 0.021 0.000 0.785 1075 A N 0.287 123.115 122.820 0.014 0.000 1.873 1075 A HA -0.110 4.210 4.320 0.000 0.000 0.215 1075 A C 2.363 179.960 177.584 0.023 0.000 1.186 1075 A CA 1.279 53.328 52.037 0.021 0.000 0.616 1075 A CB -1.529 17.488 19.000 0.028 0.000 0.823 1075 A HN 0.107 nan 8.150 nan 0.000 0.442 1076 L N -0.715 120.521 121.223 0.021 0.000 2.156 1076 L HA -0.109 4.231 4.340 0.000 0.000 0.208 1076 L C 2.414 179.300 176.870 0.028 0.000 1.095 1076 L CA 0.913 55.767 54.840 0.024 0.000 0.770 1076 L CB -0.543 41.530 42.059 0.023 0.000 0.914 1076 L HN 0.373 nan 8.230 nan 0.000 0.439 1077 I N -0.612 119.977 120.570 0.032 0.000 2.252 1077 I HA -0.236 3.934 4.170 0.000 0.000 0.245 1077 I C 2.507 178.641 176.117 0.027 0.000 1.102 1077 I CA 1.101 62.422 61.300 0.035 0.000 1.385 1077 I CB -0.158 37.866 38.000 0.041 0.000 1.064 1077 I HN 0.128 nan 8.210 nan 0.000 0.414 1078 S N 0.335 116.050 115.700 0.024 0.000 2.447 1078 S HA -0.137 4.333 4.470 0.000 0.000 0.233 1078 S C 2.131 176.742 174.600 0.018 0.000 1.006 1078 S CA 1.350 59.562 58.200 0.020 0.000 0.957 1078 S CB -0.300 62.911 63.200 0.019 0.000 0.773 1078 S HN 0.620 nan 8.310 nan 0.000 0.507 1079 S N 1.229 116.940 115.700 0.019 0.000 2.423 1079 S HA 0.080 4.550 4.470 0.000 0.000 0.231 1079 S C 1.806 176.415 174.600 0.015 0.000 1.014 1079 S CA 1.104 59.314 58.200 0.017 0.000 0.965 1079 S CB -0.847 62.364 63.200 0.018 0.000 0.785 1079 S HN 0.790 nan 8.310 nan 0.000 0.495 1080 G N 0.933 109.743 108.800 0.017 0.000 2.166 1080 G HA2 -0.266 3.694 3.960 0.000 0.000 0.260 1080 G HA3 -0.266 3.694 3.960 0.000 0.000 0.260 1080 G C 0.015 174.923 174.900 0.013 0.000 0.986 1080 G CA 0.549 45.658 45.100 0.015 0.000 0.683 1080 G HN 0.606 nan 8.290 nan 0.000 0.527 1081 L N 1.049 122.280 121.223 0.013 0.000 2.456 1081 L HA 0.369 4.710 4.340 0.000 0.000 0.272 1081 L C 1.407 178.281 176.870 0.008 0.000 1.189 1081 L CA 0.226 55.072 54.840 0.010 0.000 0.846 1081 L CB 1.072 43.138 42.059 0.011 0.000 1.111 1081 L HN 0.263 nan 8.230 nan 0.000 0.475 1082 S N 1.262 116.964 115.700 0.003 0.000 2.572 1082 S HA 0.082 4.552 4.470 0.000 0.000 0.279 1082 S C 1.173 175.767 174.600 -0.010 0.000 1.341 1082 S CA -0.693 57.504 58.200 -0.005 0.000 1.043 1082 S CB 1.264 64.459 63.200 -0.009 0.000 0.887 1082 S HN 0.451 nan 8.310 nan 0.000 0.516 1083 V N 3.895 123.792 119.914 -0.029 0.000 3.078 1083 V HA -0.049 4.071 4.120 0.000 0.000 0.265 1083 V C 1.912 177.983 176.094 -0.037 0.000 1.122 1083 V CA 1.628 63.900 62.300 -0.046 0.000 1.141 1083 V CB -1.582 30.177 31.823 -0.106 0.000 0.735 1083 V HN 0.882 nan 8.190 nan 0.000 0.498 1084 V N -1.605 118.289 119.914 -0.033 0.000 2.970 1084 V HA 0.006 4.126 4.120 0.000 0.000 0.260 1084 V C 1.439 177.572 176.094 0.065 0.000 1.100 1084 V CA 1.232 63.543 62.300 0.020 0.000 1.122 1084 V CB -0.973 30.851 31.823 0.002 0.000 0.721 1084 V HN 0.551 nan 8.190 nan 0.000 0.483 1085 E N 0.814 121.032 120.200 0.031 0.000 2.346 1085 E HA 0.142 4.492 4.350 0.000 0.000 0.317 1085 E C 1.170 177.785 176.600 0.025 0.000 1.404 1085 E CA 0.401 56.816 56.400 0.025 0.000 1.534 1085 E CB 0.433 30.141 29.700 0.013 0.000 1.309 1085 E HN 0.810 nan 8.360 nan 0.000 0.499 1086 Q N 1.391 121.215 119.800 0.039 0.000 2.061 1086 Q HA -0.247 4.093 4.340 0.000 0.000 0.204 1086 Q C 2.072 178.079 176.000 0.011 0.000 0.984 1086 Q CA 2.367 58.189 55.803 0.032 0.000 0.846 1086 Q CB -0.078 28.680 28.738 0.032 0.000 0.902 1086 Q HN 0.665 nan 8.270 nan 0.000 0.421 1087 E N -0.454 119.748 120.200 0.003 0.000 2.106 1087 E HA -0.190 4.160 4.350 0.000 0.000 0.192 1087 E C 1.674 178.274 176.600 0.000 0.000 0.984 1087 E CA 1.006 57.405 56.400 -0.003 0.000 0.806 1087 E CB 0.046 29.740 29.700 -0.010 0.000 0.750 1087 E HN 0.296 nan 8.360 nan 0.000 0.458 1088 K N 0.188 120.590 120.400 0.003 0.000 2.057 1088 K HA -0.092 4.228 4.320 0.000 0.000 0.206 1088 K C 2.276 178.881 176.600 0.008 0.000 1.050 1088 K CA 1.002 57.291 56.287 0.004 0.000 0.935 1088 K CB -0.058 32.445 32.500 0.005 0.000 0.715 1088 K HN 0.202 nan 8.250 nan 0.000 0.439 1089 L N 1.047 122.276 121.223 0.010 0.000 2.056 1089 L HA -0.208 4.132 4.340 0.000 0.000 0.207 1089 L C 1.932 178.810 176.870 0.013 0.000 1.078 1089 L CA 1.110 55.958 54.840 0.013 0.000 0.749 1089 L CB -0.316 41.750 42.059 0.012 0.000 0.901 1089 L HN 0.164 nan 8.230 nan 0.000 0.433 1090 D N -0.389 120.015 120.400 0.008 0.000 2.117 1090 D HA -0.189 4.451 4.640 0.000 0.000 0.198 1090 D C 1.880 178.184 176.300 0.007 0.000 0.982 1090 D CA 1.251 55.254 54.000 0.005 0.000 0.828 1090 D CB -0.220 40.579 40.800 -0.002 0.000 0.967 1090 D HN 0.253 nan 8.370 nan 0.000 0.464 1091 N N 0.103 118.805 118.700 0.003 0.000 2.244 1091 N HA -0.137 4.603 4.740 0.000 0.000 0.183 1091 N C 1.717 177.231 175.510 0.008 0.000 1.016 1091 N CA 0.480 53.531 53.050 0.001 0.000 0.866 1091 N CB -0.136 38.349 38.487 -0.004 0.000 0.980 1091 N HN 0.021 nan 8.380 nan 0.000 0.430 1092 L N 0.326 121.558 121.223 0.015 0.000 2.046 1092 L HA 0.025 4.365 4.340 0.000 0.000 0.208 1092 L C 1.994 178.892 176.870 0.046 0.000 1.077 1092 L CA 1.610 56.466 54.840 0.026 0.000 0.747 1092 L CB -0.575 41.500 42.059 0.026 0.000 0.896 1092 L HN 0.308 nan 8.230 nan 0.000 0.432 1093 M N -1.295 118.337 119.600 0.052 0.000 2.159 1093 M HA -0.214 4.267 4.480 0.000 0.000 0.263 1093 M C 2.169 178.517 176.300 0.081 0.000 1.063 1093 M CA 1.569 56.926 55.300 0.095 0.000 1.110 1093 M CB -0.412 32.235 32.600 0.079 0.000 1.374 1093 M HN 0.313 nan 8.290 nan 0.000 0.411 1094 L N -0.475 120.765 121.223 0.028 0.000 2.083 1094 L HA -0.189 4.151 4.340 0.000 0.000 0.209 1094 L C 2.486 179.335 176.870 -0.035 0.000 1.083 1094 L CA 1.429 56.263 54.840 -0.010 0.000 0.752 1094 L CB -0.881 41.168 42.059 -0.018 0.000 0.899 1094 L HN 0.257 nan 8.230 nan 0.000 0.433 1095 E N 0.066 120.259 120.200 -0.013 0.000 2.152 1095 E HA -0.108 4.242 4.350 0.000 0.000 0.192 1095 E C 2.212 178.796 176.600 -0.026 0.000 0.983 1095 E CA 0.552 56.938 56.400 -0.023 0.000 0.818 1095 E CB -0.324 29.372 29.700 -0.007 0.000 0.758 1095 E HN 0.468 nan 8.360 nan 0.000 0.467 1096 L N 1.082 122.322 121.223 0.029 0.000 2.083 1096 L HA -0.159 4.181 4.340 0.000 0.000 0.209 1096 L C 2.684 179.478 176.870 -0.127 0.000 1.083 1096 L CA 1.803 56.699 54.840 0.094 0.000 0.752 1096 L CB -0.346 41.884 42.059 0.285 0.000 0.899 1096 L HN 0.335 nan 8.230 nan 0.000 0.433 1097 D N -0.310 119.892 120.400 -0.330 0.000 2.162 1097 D HA -0.129 4.511 4.640 0.000 0.000 0.203 1097 D C 1.617 177.616 176.300 -0.501 0.000 0.967 1097 D CA 1.282 54.733 54.000 -0.915 0.000 0.840 1097 D CB 0.339 40.761 40.800 -0.630 0.000 0.972 1097 D HN 0.358 nan 8.370 nan 0.000 0.482 1098 G N 0.619 109.262 108.800 -0.262 0.000 2.184 1098 G HA2 -0.268 3.692 3.960 0.000 0.000 0.264 1098 G HA3 -0.268 3.692 3.960 0.000 0.000 0.264 1098 G C 0.551 175.361 174.900 -0.150 0.000 0.975 1098 G CA 1.214 46.210 45.100 -0.173 0.000 0.642 1098 G HN 0.730 nan 8.290 nan 0.000 0.536 1099 T N -3.648 110.804 114.554 -0.169 0.000 2.932 1099 T HA 0.684 5.034 4.350 0.000 0.000 0.289 1099 T C 0.557 175.204 174.700 -0.090 0.000 1.039 1099 T CA 0.618 62.644 62.100 -0.122 0.000 1.024 1099 T CB 2.390 71.178 68.868 -0.135 0.000 1.090 1099 T HN 0.412 nan 8.240 nan 0.000 0.496 1100 E N 1.090 121.253 120.200 -0.061 0.000 2.110 1100 E HA -0.151 4.199 4.350 0.000 0.000 0.193 1100 E C 1.521 178.100 176.600 -0.034 0.000 0.988 1100 E CA 1.909 58.284 56.400 -0.042 0.000 0.804 1100 E CB -0.716 28.967 29.700 -0.027 0.000 0.745 1100 E HN 0.914 nan 8.360 nan 0.000 0.458 1101 N N -1.166 117.514 118.700 -0.034 0.000 2.238 1101 N HA 0.112 4.852 4.740 0.000 0.000 0.222 1101 N C 0.024 175.513 175.510 -0.035 0.000 1.133 1101 N CA -0.080 52.958 53.050 -0.020 0.000 0.854 1101 N CB 0.192 38.677 38.487 -0.003 0.000 1.041 1101 N HN 0.062 nan 8.380 nan 0.000 0.510 1102 K N -0.052 120.310 120.400 -0.064 0.000 3.071 1102 K HA -0.167 4.153 4.320 0.000 0.000 0.265 1102 K C 0.343 176.895 176.600 -0.081 0.000 1.060 1102 K CA 0.745 56.984 56.287 -0.080 0.000 0.767 1102 K CB -1.932 30.547 32.500 -0.035 0.000 1.241 1102 K HN 0.588 nan 8.250 nan 0.000 0.486 1103 S N -0.755 114.889 115.700 -0.094 0.000 2.593 1103 S HA -0.019 4.451 4.470 0.000 0.000 0.217 1103 S C 1.561 176.095 174.600 -0.111 0.000 0.966 1103 S CA 0.606 58.763 58.200 -0.072 0.000 0.914 1103 S CB 0.372 63.541 63.200 -0.051 0.000 0.776 1103 S HN 0.363 nan 8.310 nan 0.000 0.523 1104 K N 1.776 122.035 120.400 -0.235 0.000 2.044 1104 K HA 0.245 4.565 4.320 0.000 0.000 0.204 1104 K C 1.201 177.608 176.600 -0.322 0.000 1.049 1104 K CA 1.319 57.405 56.287 -0.335 0.000 0.945 1104 K CB -0.396 31.742 32.500 -0.603 0.000 0.724 1104 K HN 0.507 nan 8.250 nan 0.000 0.440 1105 F N -0.476 119.272 119.950 -0.337 0.000 2.678 1105 F HA 0.323 4.850 4.527 0.000 0.000 0.291 1105 F C 0.631 176.364 175.800 -0.111 0.000 1.123 1105 F CA -0.224 57.504 58.000 -0.453 0.000 1.395 1105 F CB 0.980 39.807 39.000 -0.288 0.000 1.121 1105 F HN 0.226 nan 8.300 nan 0.000 0.592 1106 G N 0.848 109.701 108.800 0.089 0.000 2.907 1106 G HA2 -0.003 3.957 3.960 0.000 0.000 0.686 1106 G HA3 -0.003 3.957 3.960 0.000 0.000 0.686 1106 G C 0.397 175.332 174.900 0.058 0.000 1.115 1106 G CA -0.579 44.563 45.100 0.070 0.000 0.760 1106 G HN 0.311 nan 8.290 nan 0.000 0.620 1107 A N 1.908 124.743 122.820 0.025 0.000 2.019 1107 A HA -0.081 4.239 4.320 0.000 0.000 0.219 1107 A C 2.304 179.892 177.584 0.007 0.000 1.164 1107 A CA 2.265 54.309 52.037 0.013 0.000 0.644 1107 A CB -0.408 18.593 19.000 0.001 0.000 0.805 1107 A HN 1.561 nan 8.150 nan 0.000 0.449 1108 N N 0.948 119.653 118.700 0.008 0.000 2.270 1108 N HA 0.002 4.742 4.740 0.000 0.000 0.181 1108 N C 1.600 177.103 175.510 -0.011 0.000 1.016 1108 N CA 1.600 54.644 53.050 -0.010 0.000 0.870 1108 N CB -0.846 37.632 38.487 -0.015 0.000 0.979 1108 N HN 0.356 nan 8.380 nan 0.000 0.431 1109 A N 1.575 124.406 122.820 0.019 0.000 1.855 1109 A HA 0.052 4.372 4.320 0.000 0.000 0.215 1109 A C 2.403 179.987 177.584 -0.000 0.000 1.191 1109 A CA 1.022 53.065 52.037 0.010 0.000 0.613 1109 A CB -0.759 18.277 19.000 0.059 0.000 0.829 1109 A HN 0.250 nan 8.150 nan 0.000 0.442 1110 I N -0.871 119.720 120.570 0.034 0.000 2.252 1110 I HA -0.205 3.965 4.170 0.000 0.000 0.245 1110 I C 2.426 178.533 176.117 -0.016 0.000 1.102 1110 I CA 1.158 62.476 61.300 0.030 0.000 1.385 1110 I CB -0.205 37.831 38.000 0.060 0.000 1.064 1110 I HN 0.388 nan 8.210 nan 0.000 0.414 1111 L N 1.055 122.259 121.223 -0.032 0.000 2.093 1111 L HA -0.025 4.315 4.340 0.000 0.000 0.208 1111 L C 2.321 179.131 176.870 -0.100 0.000 1.085 1111 L CA 2.001 56.797 54.840 -0.073 0.000 0.755 1111 L CB -1.102 40.912 42.059 -0.075 0.000 0.904 1111 L HN 0.167 nan 8.230 nan 0.000 0.435 1112 G N -0.966 107.787 108.800 -0.079 0.000 2.440 1112 G HA2 -0.213 3.747 3.960 0.000 0.000 0.218 1112 G HA3 -0.213 3.747 3.960 0.000 0.000 0.218 1112 G C 1.492 176.347 174.900 -0.076 0.000 1.154 1112 G CA 1.144 46.193 45.100 -0.085 0.000 0.767 1112 G HN 0.337 nan 8.290 nan 0.000 0.552 1113 V N 0.593 120.472 119.914 -0.058 0.000 2.358 1113 V HA -0.157 3.963 4.120 0.000 0.000 0.246 1113 V C 2.980 179.045 176.094 -0.047 0.000 1.047 1113 V CA 2.091 64.368 62.300 -0.038 0.000 1.035 1113 V CB -0.414 31.393 31.823 -0.027 0.000 0.658 1113 V HN 0.467 nan 8.190 nan 0.000 0.452 1114 S N -0.253 115.408 115.700 -0.065 0.000 2.359 1114 S HA -0.179 4.291 4.470 0.000 0.000 0.224 1114 S C 1.934 176.460 174.600 -0.124 0.000 1.035 1114 S CA 1.826 59.981 58.200 -0.075 0.000 1.018 1114 S CB -0.329 62.822 63.200 -0.082 0.000 0.876 1114 S HN 0.503 nan 8.310 nan 0.000 0.448 1115 L N 0.794 121.884 121.223 -0.221 0.000 2.056 1115 L HA -0.045 4.295 4.340 0.000 0.000 0.207 1115 L C 2.915 179.707 176.870 -0.131 0.000 1.078 1115 L CA 1.254 55.864 54.840 -0.384 0.000 0.749 1115 L CB -0.661 41.092 42.059 -0.511 0.000 0.901 1115 L HN 0.395 nan 8.230 nan 0.000 0.433 1116 A N -0.479 122.303 122.820 -0.062 0.000 1.930 1116 A HA -0.120 4.201 4.320 0.000 0.000 0.217 1116 A C 2.349 179.937 177.584 0.007 0.000 1.175 1116 A CA 1.398 53.450 52.037 0.024 0.000 0.627 1116 A CB -0.741 18.283 19.000 0.039 0.000 0.815 1116 A HN 0.176 nan 8.150 nan 0.000 0.443 1117 V N -1.031 118.874 119.914 -0.015 0.000 2.332 1117 V HA -0.331 3.789 4.120 0.000 0.000 0.248 1117 V C 2.676 178.752 176.094 -0.029 0.000 1.055 1117 V CA 2.063 64.346 62.300 -0.029 0.000 1.038 1117 V CB -0.984 30.834 31.823 -0.008 0.000 0.651 1117 V HN 0.792 nan 8.190 nan 0.000 0.450 1118 C N -0.023 119.308 119.300 0.051 0.000 2.429 1118 C HA -0.157 4.303 4.460 0.000 0.000 0.277 1118 C C 2.838 177.909 174.990 0.134 0.000 1.262 1118 C CA 1.347 60.475 59.018 0.184 0.000 1.733 1118 C CB -0.999 26.929 27.740 0.313 0.000 2.010 1118 C HN 0.560 nan 8.230 nan 0.000 0.483 1119 K N 0.618 121.078 120.400 0.098 0.000 2.057 1119 K HA -0.112 4.208 4.320 0.000 0.000 0.207 1119 K C 2.263 178.585 176.600 -0.463 0.000 1.049 1119 K CA 1.644 57.937 56.287 0.009 0.000 0.931 1119 K CB -0.361 32.252 32.500 0.187 0.000 0.714 1119 K HN 0.562 nan 8.250 nan 0.000 0.440 1120 A N 1.194 123.570 122.820 -0.740 0.000 1.933 1120 A HA -0.081 4.239 4.320 0.000 0.000 0.218 1120 A C 2.413 179.563 177.584 -0.724 0.000 1.175 1120 A CA 1.854 53.092 52.037 -1.332 0.000 0.628 1120 A CB -1.112 17.420 19.000 -0.780 0.000 0.814 1120 A HN 0.432 nan 8.150 nan 0.000 0.444 1121 G N -0.395 108.133 108.800 -0.453 0.000 2.418 1121 G HA2 -0.009 3.951 3.960 0.000 0.000 0.217 1121 G HA3 -0.009 3.951 3.960 0.000 0.000 0.217 1121 G C 1.758 176.163 174.900 -0.824 0.000 1.158 1121 G CA 1.462 46.278 45.100 -0.473 0.000 0.771 1121 G HN 0.785 nan 8.290 nan 0.000 0.545 1122 A N 1.242 123.557 122.820 -0.843 0.000 1.883 1122 A HA 0.189 4.509 4.320 0.000 0.000 0.217 1122 A C 2.829 180.193 177.584 -0.368 0.000 1.186 1122 A CA 2.478 54.136 52.037 -0.632 0.000 0.624 1122 A CB -0.855 18.007 19.000 -0.229 0.000 0.822 1122 A HN 0.828 nan 8.150 nan 0.000 0.444 1123 A N -0.904 121.719 122.820 -0.327 0.000 1.898 1123 A HA -0.092 4.228 4.320 0.000 0.000 0.216 1123 A C 2.064 179.556 177.584 -0.153 0.000 1.181 1123 A CA 2.038 53.982 52.037 -0.156 0.000 0.620 1123 A CB -0.797 18.185 19.000 -0.030 0.000 0.819 1123 A HN 0.516 nan 8.150 nan 0.000 0.442 1124 E N -0.151 119.910 120.200 -0.232 0.000 2.118 1124 E HA -0.152 4.198 4.350 0.000 0.000 0.195 1124 E C 2.032 178.551 176.600 -0.136 0.000 0.992 1124 E CA 1.243 57.550 56.400 -0.154 0.000 0.804 1124 E CB -0.425 29.177 29.700 -0.164 0.000 0.741 1124 E HN 0.577 nan 8.360 nan 0.000 0.458 1125 R N -0.072 120.310 120.500 -0.196 0.000 2.313 1125 R HA 0.055 4.395 4.340 0.000 0.000 0.199 1125 R C 0.731 176.973 176.300 -0.097 0.000 0.958 1125 R CA 0.785 56.804 56.100 -0.136 0.000 1.047 1125 R CB -0.083 30.120 30.300 -0.161 0.000 0.955 1125 R HN 0.287 nan 8.270 nan 0.000 0.481 1126 E N 0.206 120.347 120.200 -0.098 0.000 2.320 1126 E HA -0.173 4.177 4.350 0.000 0.000 0.234 1126 E C -0.363 176.192 176.600 -0.075 0.000 1.183 1126 E CA 0.773 57.134 56.400 -0.066 0.000 0.713 1126 E CB -2.285 27.391 29.700 -0.041 0.000 1.226 1126 E HN 0.359 nan 8.360 nan 0.000 0.382 1127 L N -0.715 120.443 121.223 -0.108 0.000 2.370 1127 L HA 0.640 4.980 4.340 0.000 0.000 0.266 1127 L C -2.109 174.659 176.870 -0.170 0.000 1.002 1127 L CA -2.882 51.878 54.840 -0.132 0.000 0.818 1127 L CB 2.222 44.214 42.059 -0.113 0.000 1.325 1127 L HN -0.015 nan 8.230 nan 0.000 0.418 1128 P HA 0.002 nan 4.420 nan 0.000 0.269 1128 P C 0.529 177.620 177.300 -0.349 0.000 1.215 1128 P CA -0.428 62.470 63.100 -0.337 0.000 0.780 1128 P CB 0.991 32.328 31.700 -0.605 0.000 0.898 1129 L N 3.480 124.595 121.223 -0.180 0.000 2.042 1129 L HA -0.226 4.114 4.340 0.000 0.000 0.210 1129 L C 2.475 179.282 176.870 -0.106 0.000 1.076 1129 L CA 1.913 56.705 54.840 -0.079 0.000 0.749 1129 L CB -1.857 40.180 42.059 -0.036 0.000 0.893 1129 L HN 0.467 nan 8.230 nan 0.000 0.432 1130 Y N -1.410 118.841 120.300 -0.082 0.000 2.274 1130 Y HA -0.118 4.432 4.550 0.000 0.000 0.290 1130 Y C 2.448 178.313 175.900 -0.058 0.000 1.145 1130 Y CA 1.229 59.266 58.100 -0.104 0.000 1.203 1130 Y CB -1.010 37.387 38.460 -0.105 0.000 0.984 1130 Y HN 0.060 nan 8.280 nan 0.000 0.533 1131 R N -0.713 119.546 120.500 -0.401 0.000 2.093 1131 R HA -0.105 4.236 4.340 0.000 0.000 0.224 1131 R C 2.078 178.338 176.300 -0.066 0.000 1.101 1131 R CA 1.188 57.174 56.100 -0.190 0.000 0.979 1131 R CB -0.574 29.558 30.300 -0.280 0.000 0.877 1131 R HN 0.448 nan 8.270 nan 0.000 0.441 1132 H N 1.393 120.362 119.070 -0.169 0.000 2.321 1132 H HA -0.044 4.512 4.556 0.000 0.000 0.300 1132 H C 1.860 177.149 175.328 -0.065 0.000 1.087 1132 H CA 1.625 57.611 56.048 -0.104 0.000 1.319 1132 H CB -0.115 29.583 29.762 -0.106 0.000 1.379 1132 H HN 0.029 nan 8.280 nan 0.000 0.501 1133 I N 0.231 120.700 120.570 -0.168 0.000 2.226 1133 I HA -0.263 3.907 4.170 0.000 0.000 0.245 1133 I C 2.632 178.667 176.117 -0.136 0.000 1.100 1133 I CA 1.160 62.344 61.300 -0.193 0.000 1.374 1133 I CB -1.095 36.827 38.000 -0.130 0.000 1.057 1133 I HN 0.427 nan 8.210 nan 0.000 0.413 1134 A N 0.528 123.304 122.820 -0.072 0.000 1.883 1134 A HA -0.271 4.049 4.320 0.000 0.000 0.217 1134 A C 2.233 179.781 177.584 -0.059 0.000 1.186 1134 A CA 1.719 53.732 52.037 -0.040 0.000 0.624 1134 A CB -0.714 18.289 19.000 0.004 0.000 0.822 1134 A HN 0.517 nan 8.150 nan 0.000 0.444 1135 Q N -0.526 119.230 119.800 -0.074 0.000 2.084 1135 Q HA -0.081 4.259 4.340 0.000 0.000 0.202 1135 Q C 2.095 178.035 176.000 -0.100 0.000 0.978 1135 Q CA 1.308 57.072 55.803 -0.066 0.000 0.844 1135 Q CB -0.362 28.357 28.738 -0.031 0.000 0.898 1135 Q HN 0.684 nan 8.270 nan 0.000 0.426 1136 L N 0.077 121.187 121.223 -0.188 0.000 2.129 1136 L HA -0.199 4.141 4.340 0.000 0.000 0.212 1136 L C 2.183 178.995 176.870 -0.097 0.000 1.087 1136 L CA 1.095 55.831 54.840 -0.172 0.000 0.757 1136 L CB -0.391 41.515 42.059 -0.256 0.000 0.896 1136 L HN 0.205 nan 8.230 nan 0.000 0.434 1137 A N -0.992 121.778 122.820 -0.083 0.000 2.238 1137 A HA 0.346 4.666 4.320 0.000 0.000 0.210 1137 A C 1.627 179.186 177.584 -0.042 0.000 1.179 1137 A CA 0.616 52.621 52.037 -0.054 0.000 0.827 1137 A CB -0.091 18.883 19.000 -0.044 0.000 0.856 1137 A HN 0.485 nan 8.150 nan 0.000 0.488 1138 G N -0.073 108.702 108.800 -0.042 0.000 2.160 1138 G HA2 -0.217 3.743 3.960 0.000 0.000 0.244 1138 G HA3 -0.217 3.743 3.960 0.000 0.000 0.244 1138 G C -0.434 174.453 174.900 -0.022 0.000 1.022 1138 G CA 0.133 45.215 45.100 -0.030 0.000 0.741 1138 G HN 0.463 nan 8.290 nan 0.000 0.508 1139 N N -0.272 118.416 118.700 -0.021 0.000 2.430 1139 N HA 0.696 5.436 4.740 0.000 0.000 0.292 1139 N C 1.102 176.610 175.510 -0.003 0.000 1.051 1139 N CA 0.324 53.368 53.050 -0.011 0.000 0.917 1139 N CB 1.699 40.180 38.487 -0.009 0.000 1.164 1139 N HN 0.370 nan 8.380 nan 0.000 0.484 1140 S N -0.171 115.530 115.700 0.002 0.000 2.483 1140 S HA 0.157 4.627 4.470 0.000 0.000 0.221 1140 S C 0.839 175.450 174.600 0.017 0.000 1.030 1140 S CA 0.689 58.894 58.200 0.008 0.000 0.925 1140 S CB -0.347 62.856 63.200 0.006 0.000 0.795 1140 S HN 0.736 nan 8.310 nan 0.000 0.511 1141 D N 0.013 120.422 120.400 0.016 0.000 2.387 1141 D HA 0.781 5.421 4.640 0.000 0.000 0.255 1141 D C -0.610 175.708 176.300 0.029 0.000 1.081 1141 D CA -0.291 53.721 54.000 0.021 0.000 0.994 1141 D CB 0.621 41.429 40.800 0.013 0.000 1.127 1141 D HN 0.315 nan 8.370 nan 0.000 0.513 1142 L N -0.123 121.118 121.223 0.029 0.000 2.470 1142 L HA 0.667 5.007 4.340 0.000 0.000 0.268 1142 L C -0.740 176.131 176.870 0.002 0.000 0.964 1142 L CA -0.753 54.101 54.840 0.023 0.000 0.839 1142 L CB 1.822 43.913 42.059 0.054 0.000 1.276 1142 L HN 0.750 nan 8.230 nan 0.000 0.403 1143 I N 0.170 120.731 120.570 -0.015 0.000 2.686 1143 I HA 0.530 4.700 4.170 0.000 0.000 0.295 1143 I C -1.203 174.901 176.117 -0.022 0.000 1.114 1143 I CA -0.853 60.443 61.300 -0.007 0.000 1.038 1143 I CB 1.940 39.937 38.000 -0.004 0.000 1.238 1143 I HN 0.267 nan 8.210 nan 0.000 0.420 1144 L N 5.837 127.078 121.223 0.029 0.000 2.380 1144 L HA 0.513 4.853 4.340 0.000 0.000 0.273 1144 L C -2.086 174.857 176.870 0.122 0.000 1.138 1144 L CA -1.266 53.614 54.840 0.066 0.000 0.832 1144 L CB 0.508 42.704 42.059 0.229 0.000 1.124 1144 L HN 0.552 nan 8.230 nan 0.000 0.454 1145 P HA 0.164 nan 4.420 nan 0.000 0.279 1145 P C -0.529 176.897 177.300 0.210 0.000 1.252 1145 P CA -0.517 62.632 63.100 0.081 0.000 0.811 1145 P CB 1.348 33.084 31.700 0.060 0.000 1.035 1146 V N 3.674 123.561 119.914 -0.045 0.000 2.555 1146 V HA 0.165 4.285 4.120 0.000 0.000 0.286 1146 V C -1.688 174.395 176.094 -0.019 0.000 1.044 1146 V CA -1.197 61.077 62.300 -0.043 0.000 1.026 1146 V CB 0.376 32.028 31.823 -0.285 0.000 0.981 1146 V HN 0.610 nan 8.190 nan 0.000 0.480 1147 P HA 0.427 nan 4.420 nan 0.000 0.288 1147 P C -1.079 175.863 177.300 -0.595 0.000 1.267 1147 P CA -0.582 62.316 63.100 -0.337 0.000 0.815 1147 P CB 1.547 32.817 31.700 -0.718 0.000 0.989 1148 A N 3.923 126.472 122.820 -0.452 0.000 2.277 1148 A HA 0.593 4.913 4.320 0.000 0.000 0.318 1148 A C -0.905 176.521 177.584 -0.263 0.000 1.339 1148 A CA -0.531 51.322 52.037 -0.307 0.000 0.875 1148 A CB -0.363 18.547 19.000 -0.149 0.000 1.158 1148 A HN 0.339 nan 8.150 nan 0.000 0.514 1149 F N 1.801 121.727 119.950 -0.041 0.000 2.405 1149 F HA 0.266 4.793 4.527 0.000 0.000 0.355 1149 F C 0.992 176.802 175.800 0.017 0.000 1.121 1149 F CA -0.450 57.525 58.000 -0.041 0.000 1.112 1149 F CB 1.287 40.193 39.000 -0.156 0.000 1.126 1149 F HN 0.691 nan 8.300 nan 0.000 0.481 1150 N N 3.392 122.231 118.700 0.232 0.000 2.508 1150 N HA 0.189 4.929 4.740 0.000 0.000 0.253 1150 N C 0.754 176.383 175.510 0.199 0.000 1.145 1150 N CA -0.247 52.927 53.050 0.206 0.000 0.973 1150 N CB 0.702 39.322 38.487 0.222 0.000 1.305 1150 N HN 0.602 nan 8.380 nan 0.000 0.506 1151 V N 1.732 121.779 119.914 0.222 0.000 3.590 1151 V HA 0.340 4.461 4.120 0.000 0.000 0.265 1151 V C 0.582 176.813 176.094 0.228 0.000 1.239 1151 V CA 0.387 62.832 62.300 0.241 0.000 1.117 1151 V CB -0.188 31.813 31.823 0.297 0.000 0.818 1151 V HN 0.435 nan 8.190 nan 0.000 0.451 1152 I N 2.119 122.837 120.570 0.246 0.000 2.447 1152 I HA 0.514 4.684 4.170 0.000 0.000 0.287 1152 I C -1.137 175.160 176.117 0.300 0.000 1.023 1152 I CA -0.417 61.016 61.300 0.222 0.000 1.083 1152 I CB 1.889 39.934 38.000 0.077 0.000 1.245 1152 I HN 0.124 nan 8.210 nan 0.000 0.434 1153 N N 4.043 122.877 118.700 0.223 0.000 2.430 1153 N HA 0.725 5.465 4.740 0.000 0.000 0.292 1153 N C -0.028 175.607 175.510 0.209 0.000 1.051 1153 N CA -0.324 52.869 53.050 0.237 0.000 0.917 1153 N CB 2.344 40.957 38.487 0.210 0.000 1.164 1153 N HN 0.815 nan 8.380 nan 0.000 0.484 1154 G N -1.148 107.781 108.800 0.215 0.000 3.166 1154 G HA2 0.660 4.620 3.960 0.000 0.000 0.267 1154 G HA3 0.660 4.620 3.960 0.000 0.000 0.267 1154 G C 0.243 175.219 174.900 0.127 0.000 1.256 1154 G CA -0.081 45.123 45.100 0.173 0.000 0.859 1154 G HN 0.723 nan 8.290 nan 0.000 0.590 1155 G N -0.326 108.572 108.800 0.163 0.000 2.596 1155 G HA2 -0.236 3.724 3.960 0.000 0.000 0.295 1155 G HA3 -0.236 3.724 3.960 0.000 0.000 0.295 1155 G C 1.345 176.372 174.900 0.211 0.000 1.240 1155 G CA 0.951 46.217 45.100 0.276 0.000 0.985 1155 G HN 1.514 nan 8.290 nan 0.000 0.555 1156 S N 0.308 116.139 115.700 0.218 0.000 2.607 1156 S HA 0.088 4.558 4.470 0.000 0.000 0.224 1156 S C 1.320 176.095 174.600 0.291 0.000 0.969 1156 S CA 1.244 59.585 58.200 0.235 0.000 0.927 1156 S CB -0.250 63.087 63.200 0.229 0.000 0.772 1156 S HN 0.584 nan 8.310 nan 0.000 0.533 1157 H N 0.147 119.279 119.070 0.104 0.000 2.586 1157 H HA 0.540 5.096 4.556 0.000 0.000 0.273 1157 H C 0.442 175.807 175.328 0.062 0.000 0.997 1157 H CA -0.156 55.934 56.048 0.070 0.000 1.177 1157 H CB 0.500 30.303 29.762 0.068 0.000 1.471 1157 H HN 0.314 nan 8.280 nan 0.000 0.538 1158 A N 0.413 123.338 122.820 0.176 0.000 2.594 1158 A HA 0.537 4.857 4.320 0.000 0.000 0.295 1158 A C -0.177 177.439 177.584 0.054 0.000 1.071 1158 A CA -0.403 51.700 52.037 0.108 0.000 0.685 1158 A CB 1.103 20.169 19.000 0.111 0.000 1.285 1158 A HN 0.218 nan 8.150 nan 0.000 0.405 1159 G N 1.720 110.542 108.800 0.037 0.000 2.663 1159 G HA2 0.496 4.456 3.960 0.000 0.000 0.320 1159 G HA3 0.496 4.456 3.960 0.000 0.000 0.320 1159 G C -0.477 174.416 174.900 -0.011 0.000 0.937 1159 G CA 0.007 45.112 45.100 0.007 0.000 1.332 1159 G HN 1.224 nan 8.290 nan 0.000 0.461 1160 N N -0.154 118.525 118.700 -0.035 0.000 3.227 1160 N HA 0.170 4.910 4.740 0.000 0.000 0.241 1160 N C 0.232 175.688 175.510 -0.090 0.000 1.480 1160 N CA -1.033 51.983 53.050 -0.057 0.000 0.886 1160 N CB 1.049 39.504 38.487 -0.053 0.000 1.406 1160 N HN 0.048 nan 8.380 nan 0.000 0.514 1161 K N -0.730 119.613 120.400 -0.093 0.000 2.361 1161 K HA 0.181 4.502 4.320 0.000 0.000 0.196 1161 K C 0.173 176.711 176.600 -0.105 0.000 1.039 1161 K CA -0.203 56.015 56.287 -0.115 0.000 1.001 1161 K CB -0.117 32.331 32.500 -0.087 0.000 0.795 1161 K HN 0.373 nan 8.250 nan 0.000 0.495 1162 L N 1.368 122.554 121.223 -0.061 0.000 2.700 1162 L HA -0.136 4.204 4.340 0.000 0.000 0.276 1162 L C 0.995 177.902 176.870 0.061 0.000 1.200 1162 L CA 0.258 55.100 54.840 0.003 0.000 0.951 1162 L CB 0.593 42.664 42.059 0.021 0.000 1.226 1162 L HN 0.092 nan 8.230 nan 0.000 0.489 1163 A N 6.084 128.956 122.820 0.088 0.000 1.935 1163 A HA 0.091 4.411 4.320 0.000 0.000 0.214 1163 A C 1.187 178.972 177.584 0.335 0.000 1.178 1163 A CA 0.576 52.739 52.037 0.211 0.000 0.640 1163 A CB -0.220 18.773 19.000 -0.012 0.000 0.825 1163 A HN 0.717 nan 8.150 nan 0.000 0.447 1164 M N -0.175 119.581 119.600 0.261 0.000 2.243 1164 M HA 0.103 4.584 4.480 0.000 0.000 0.341 1164 M C 1.179 177.565 176.300 0.144 0.000 1.130 1164 M CA -0.008 55.429 55.300 0.228 0.000 1.162 1164 M CB 0.893 33.569 32.600 0.127 0.000 1.497 1164 M HN 0.484 nan 8.290 nan 0.000 0.456 1165 Q N 1.440 121.235 119.800 -0.008 0.000 2.123 1165 Q HA 0.008 4.349 4.340 0.000 0.000 0.196 1165 Q C -0.491 175.466 176.000 -0.070 0.000 0.958 1165 Q CA 1.112 56.866 55.803 -0.082 0.000 0.841 1165 Q CB 0.639 29.239 28.738 -0.230 0.000 0.915 1165 Q HN 0.680 nan 8.270 nan 0.000 0.455 1166 E N -0.523 119.542 120.200 -0.224 0.000 2.290 1166 E HA 0.320 4.671 4.350 0.000 0.000 0.274 1166 E C -1.674 174.666 176.600 -0.432 0.000 0.889 1166 E CA -0.434 55.893 56.400 -0.122 0.000 0.760 1166 E CB 1.676 31.362 29.700 -0.024 0.000 1.206 1166 E HN 0.022 nan 8.360 nan 0.000 0.419 1167 F N 2.491 122.465 119.950 0.040 0.000 2.445 1167 F HA 0.458 4.985 4.527 0.000 0.000 0.348 1167 F C -0.011 175.817 175.800 0.046 0.000 1.125 1167 F CA -0.497 57.511 58.000 0.013 0.000 0.983 1167 F CB 1.092 40.080 39.000 -0.019 0.000 1.198 1167 F HN 0.197 nan 8.300 nan 0.000 0.436 1168 M N 4.773 124.456 119.600 0.138 0.000 2.578 1168 M HA 0.648 5.128 4.480 0.000 0.000 0.321 1168 M C -0.583 175.781 176.300 0.108 0.000 1.182 1168 M CA -0.947 54.427 55.300 0.123 0.000 0.965 1168 M CB 2.715 35.347 32.600 0.053 0.000 1.694 1168 M HN 0.503 nan 8.290 nan 0.000 0.461 1169 I N -0.013 120.637 120.570 0.132 0.000 2.493 1169 I HA 0.655 4.825 4.170 0.000 0.000 0.298 1169 I C -1.589 174.565 176.117 0.060 0.000 0.998 1169 I CA -1.040 60.323 61.300 0.104 0.000 1.137 1169 I CB 1.449 39.528 38.000 0.131 0.000 1.310 1169 I HN 0.442 nan 8.210 nan 0.000 0.445 1170 L N 6.994 128.191 121.223 -0.043 0.000 2.345 1170 L HA 0.499 4.839 4.340 0.000 0.000 0.274 1170 L C -2.385 174.395 176.870 -0.151 0.000 0.999 1170 L CA -1.233 53.501 54.840 -0.178 0.000 0.849 1170 L CB 1.637 43.476 42.059 -0.368 0.000 1.220 1170 L HN 0.438 nan 8.230 nan 0.000 0.422 1171 P HA 0.069 nan 4.420 nan 0.000 0.225 1171 P C 1.250 178.500 177.300 -0.083 0.000 1.813 1171 P CA -0.178 62.865 63.100 -0.094 0.000 1.013 1171 P CB 0.233 31.874 31.700 -0.098 0.000 1.961 1172 V N -0.623 119.178 119.914 -0.188 0.000 2.594 1172 V HA -0.073 4.047 4.120 0.000 0.000 0.253 1172 V C 1.808 177.628 176.094 -0.455 0.000 1.069 1172 V CA 2.163 64.278 62.300 -0.308 0.000 1.082 1172 V CB -1.586 30.062 31.823 -0.291 0.000 0.680 1172 V HN 0.341 nan 8.190 nan 0.000 0.469 1173 G N -0.381 108.252 108.800 -0.278 0.000 3.233 1173 G HA2 0.513 4.473 3.960 0.000 0.000 0.227 1173 G HA3 0.513 4.473 3.960 0.000 0.000 0.227 1173 G C 0.611 175.494 174.900 -0.028 0.000 1.175 1173 G CA 0.377 45.386 45.100 -0.153 0.000 0.781 1173 G HN 0.897 nan 8.290 nan 0.000 0.542 1174 A N -0.171 122.632 122.820 -0.029 0.000 2.386 1174 A HA 0.466 4.786 4.320 0.000 0.000 0.246 1174 A C 1.163 178.678 177.584 -0.115 0.000 1.089 1174 A CA 0.031 51.983 52.037 -0.142 0.000 0.790 1174 A CB 0.565 19.370 19.000 -0.324 0.000 1.042 1174 A HN 0.172 nan 8.150 nan 0.000 0.497 1175 E N -0.670 119.415 120.200 -0.192 0.000 2.371 1175 E HA 0.186 4.537 4.350 0.000 0.000 0.194 1175 E C 0.519 176.981 176.600 -0.229 0.000 1.012 1175 E CA 0.706 57.035 56.400 -0.119 0.000 0.860 1175 E CB -0.156 29.495 29.700 -0.081 0.000 0.811 1175 E HN 1.165 nan 8.360 nan 0.000 0.502 1176 S N -2.076 113.253 115.700 -0.618 0.000 2.656 1176 S HA 0.368 4.838 4.470 0.000 0.000 0.265 1176 S C 0.200 174.133 174.600 -1.112 0.000 1.132 1176 S CA -0.521 57.280 58.200 -0.665 0.000 0.819 1176 S CB 0.188 63.235 63.200 -0.255 0.000 1.119 1176 S HN 0.036 nan 8.310 nan 0.000 0.476 1177 F N 1.682 121.218 119.950 -0.690 0.000 2.113 1177 F HA 0.165 4.692 4.527 0.000 0.000 0.297 1177 F C 2.581 178.219 175.800 -0.270 0.000 1.103 1177 F CA 1.568 59.319 58.000 -0.415 0.000 1.248 1177 F CB -0.227 38.737 39.000 -0.061 0.000 0.999 1177 F HN 0.631 nan 8.300 nan 0.000 0.475 1178 R N -0.097 120.346 120.500 -0.095 0.000 2.105 1178 R HA -0.221 4.119 4.340 0.000 0.000 0.239 1178 R C 1.867 178.021 176.300 -0.242 0.000 1.135 1178 R CA 1.787 57.820 56.100 -0.111 0.000 0.967 1178 R CB -0.728 29.557 30.300 -0.025 0.000 0.861 1178 R HN 0.311 nan 8.270 nan 0.000 0.442 1179 D N 0.217 120.433 120.400 -0.307 0.000 2.144 1179 D HA -0.079 4.561 4.640 0.000 0.000 0.200 1179 D C 1.747 177.819 176.300 -0.381 0.000 0.978 1179 D CA 1.247 55.066 54.000 -0.303 0.000 0.833 1179 D CB 0.039 40.665 40.800 -0.289 0.000 0.961 1179 D HN 0.240 nan 8.370 nan 0.000 0.470 1180 A N 0.094 122.596 122.820 -0.529 0.000 1.972 1180 A HA -0.134 4.186 4.320 0.000 0.000 0.219 1180 A C 2.117 179.489 177.584 -0.353 0.000 1.169 1180 A CA 1.183 52.946 52.037 -0.457 0.000 0.635 1180 A CB -0.455 18.213 19.000 -0.554 0.000 0.810 1180 A HN 0.210 nan 8.150 nan 0.000 0.446 1181 M N -0.648 118.692 119.600 -0.433 0.000 2.117 1181 M HA -0.107 4.373 4.480 0.000 0.000 0.262 1181 M C 2.214 178.319 176.300 -0.325 0.000 1.065 1181 M CA 1.866 56.972 55.300 -0.322 0.000 1.114 1181 M CB -1.202 31.264 32.600 -0.224 0.000 1.361 1181 M HN 0.641 nan 8.290 nan 0.000 0.408 1182 R N 0.666 121.009 120.500 -0.261 0.000 2.075 1182 R HA -0.082 4.258 4.340 0.000 0.000 0.232 1182 R C 2.157 178.306 176.300 -0.252 0.000 1.126 1182 R CA 1.083 57.062 56.100 -0.201 0.000 0.963 1182 R CB -0.182 30.036 30.300 -0.137 0.000 0.858 1182 R HN 0.314 nan 8.270 nan 0.000 0.435 1183 L N 0.048 121.054 121.223 -0.363 0.000 2.046 1183 L HA -0.087 4.254 4.340 0.000 0.000 0.208 1183 L C 2.592 179.235 176.870 -0.378 0.000 1.077 1183 L CA 1.694 56.220 54.840 -0.523 0.000 0.747 1183 L CB -1.006 40.659 42.059 -0.656 0.000 0.896 1183 L HN 0.504 nan 8.230 nan 0.000 0.432 1184 G N -0.422 108.113 108.800 -0.442 0.000 2.402 1184 G HA2 -0.183 3.777 3.960 0.000 0.000 0.216 1184 G HA3 -0.183 3.777 3.960 0.000 0.000 0.216 1184 G C 1.797 176.289 174.900 -0.680 0.000 1.162 1184 G CA 0.798 45.465 45.100 -0.721 0.000 0.777 1184 G HN 0.460 nan 8.290 nan 0.000 0.539 1185 A N 0.914 123.368 122.820 -0.610 0.000 1.902 1185 A HA -0.003 4.317 4.320 0.000 0.000 0.217 1185 A C 2.150 179.530 177.584 -0.339 0.000 1.181 1185 A CA 1.891 53.627 52.037 -0.503 0.000 0.623 1185 A CB -0.406 18.409 19.000 -0.309 0.000 0.818 1185 A HN 0.440 nan 8.150 nan 0.000 0.443 1186 E N -0.396 119.740 120.200 -0.107 0.000 2.077 1186 E HA -0.129 4.221 4.350 0.000 0.000 0.193 1186 E C 1.965 178.610 176.600 0.075 0.000 0.989 1186 E CA 1.333 57.782 56.400 0.082 0.000 0.800 1186 E CB -0.250 29.564 29.700 0.191 0.000 0.746 1186 E HN 0.406 nan 8.360 nan 0.000 0.452 1187 V N 0.644 120.580 119.914 0.036 0.000 2.427 1187 V HA -0.256 3.864 4.120 0.000 0.000 0.248 1187 V C 2.011 178.141 176.094 0.060 0.000 1.051 1187 V CA 1.733 64.075 62.300 0.070 0.000 1.048 1187 V CB -0.550 31.314 31.823 0.069 0.000 0.666 1187 V HN 0.316 nan 8.190 nan 0.000 0.456 1188 Y N 0.796 120.993 120.300 -0.173 0.000 2.145 1188 Y HA -0.267 4.283 4.550 0.000 0.000 0.286 1188 Y C 2.752 178.692 175.900 0.067 0.000 1.145 1188 Y CA 2.073 60.115 58.100 -0.096 0.000 1.148 1188 Y CB -0.354 37.904 38.460 -0.338 0.000 0.981 1188 Y HN 0.367 nan 8.280 nan 0.000 0.507 1189 H N -1.188 117.969 119.070 0.144 0.000 2.387 1189 H HA -0.104 4.452 4.556 0.000 0.000 0.299 1189 H C 2.222 177.526 175.328 -0.040 0.000 1.090 1189 H CA 1.774 57.848 56.048 0.044 0.000 1.332 1189 H CB -0.939 28.869 29.762 0.077 0.000 1.386 1189 H HN 0.338 nan 8.280 nan 0.000 0.516 1190 T N 1.841 116.453 114.554 0.096 0.000 2.746 1190 T HA -0.113 4.237 4.350 0.000 0.000 0.267 1190 T C 2.204 176.874 174.700 -0.050 0.000 1.039 1190 T CA 0.997 63.111 62.100 0.023 0.000 1.142 1190 T CB -0.407 68.483 68.868 0.037 0.000 0.866 1190 T HN 0.103 nan 8.240 nan 0.000 0.444 1191 L N 1.484 122.674 121.223 -0.055 0.000 2.083 1191 L HA 0.058 4.398 4.340 0.000 0.000 0.209 1191 L C 2.271 178.918 176.870 -0.372 0.000 1.083 1191 L CA 1.799 56.568 54.840 -0.118 0.000 0.752 1191 L CB -0.562 41.502 42.059 0.008 0.000 0.899 1191 L HN 0.079 nan 8.230 nan 0.000 0.433 1192 K N -0.826 119.243 120.400 -0.551 0.000 2.103 1192 K HA -0.151 4.169 4.320 0.000 0.000 0.207 1192 K C 1.942 178.273 176.600 -0.448 0.000 1.048 1192 K CA 1.415 57.162 56.287 -0.900 0.000 0.930 1192 K CB -0.532 31.601 32.500 -0.612 0.000 0.716 1192 K HN 0.526 nan 8.250 nan 0.000 0.444 1193 G N 0.173 108.824 108.800 -0.248 0.000 2.394 1193 G HA2 -0.165 3.795 3.960 0.000 0.000 0.215 1193 G HA3 -0.165 3.795 3.960 0.000 0.000 0.215 1193 G C 1.463 176.280 174.900 -0.139 0.000 1.165 1193 G CA 0.652 45.660 45.100 -0.154 0.000 0.784 1193 G HN 0.183 nan 8.290 nan 0.000 0.535 1194 V N 1.210 121.043 119.914 -0.134 0.000 2.343 1194 V HA -0.161 3.959 4.120 0.000 0.000 0.247 1194 V C 2.774 178.812 176.094 -0.093 0.000 1.051 1194 V CA 1.540 63.781 62.300 -0.098 0.000 1.036 1194 V CB -0.363 31.415 31.823 -0.074 0.000 0.654 1194 V HN 0.387 nan 8.190 nan 0.000 0.451 1195 I N -0.290 120.200 120.570 -0.134 0.000 2.202 1195 I HA -0.245 3.925 4.170 0.000 0.000 0.242 1195 I C 2.578 178.676 176.117 -0.032 0.000 1.091 1195 I CA 1.741 63.013 61.300 -0.046 0.000 1.368 1195 I CB -0.420 37.469 38.000 -0.185 0.000 1.058 1195 I HN 0.261 nan 8.210 nan 0.000 0.410 1196 K N 0.947 121.273 120.400 -0.123 0.000 2.097 1196 K HA -0.230 4.090 4.320 0.000 0.000 0.206 1196 K C 1.567 178.124 176.600 -0.072 0.000 1.049 1196 K CA 1.889 58.125 56.287 -0.085 0.000 0.933 1196 K CB -0.014 32.419 32.500 -0.111 0.000 0.717 1196 K HN 0.211 nan 8.250 nan 0.000 0.442 1197 D N 0.278 120.623 120.400 -0.092 0.000 2.178 1197 D HA -0.138 4.503 4.640 0.000 0.000 0.202 1197 D C 1.694 177.911 176.300 -0.138 0.000 0.974 1197 D CA 1.116 55.057 54.000 -0.098 0.000 0.841 1197 D CB 0.125 40.870 40.800 -0.092 0.000 0.953 1197 D HN 0.289 nan 8.370 nan 0.000 0.478 1198 K N -1.162 119.123 120.400 -0.192 0.000 2.202 1198 K HA 0.004 4.324 4.320 0.000 0.000 0.201 1198 K C 1.036 177.316 176.600 -0.534 0.000 1.051 1198 K CA 0.471 56.515 56.287 -0.405 0.000 0.977 1198 K CB 0.266 32.433 32.500 -0.555 0.000 0.792 1198 K HN 0.126 nan 8.250 nan 0.000 0.469 1199 Y N -0.420 119.839 120.300 -0.070 0.000 2.426 1199 Y HA 0.296 4.846 4.550 0.000 0.000 0.249 1199 Y C 0.481 176.347 175.900 -0.055 0.000 1.103 1199 Y CA 0.029 58.092 58.100 -0.060 0.000 1.256 1199 Y CB 1.848 40.268 38.460 -0.067 0.000 1.208 1199 Y HN 0.217 nan 8.280 nan 0.000 0.519 1200 G N 1.492 110.320 108.800 0.048 0.000 2.699 1200 G HA2 -0.246 3.715 3.960 0.000 0.000 0.686 1200 G HA3 -0.246 3.715 3.960 0.000 0.000 0.686 1200 G C 0.512 175.419 174.900 0.012 0.000 1.301 1200 G CA -0.251 44.860 45.100 0.017 0.000 0.816 1200 G HN 0.311 nan 8.290 nan 0.000 0.595 1201 K N -0.569 119.827 120.400 -0.006 0.000 2.280 1201 K HA -0.061 4.260 4.320 0.000 0.000 0.202 1201 K C 1.224 177.826 176.600 0.004 0.000 1.047 1201 K CA 1.891 58.170 56.287 -0.012 0.000 0.942 1201 K CB 0.005 32.499 32.500 -0.011 0.000 0.739 1201 K HN 0.325 nan 8.250 nan 0.000 0.457 1202 D N 1.538 121.946 120.400 0.014 0.000 2.351 1202 D HA -0.065 4.575 4.640 0.000 0.000 0.216 1202 D C 1.448 177.759 176.300 0.018 0.000 0.968 1202 D CA 1.123 55.134 54.000 0.019 0.000 0.899 1202 D CB 0.111 40.922 40.800 0.018 0.000 0.907 1202 D HN 0.477 nan 8.370 nan 0.000 0.514 1203 A N -0.006 122.821 122.820 0.012 0.000 2.275 1203 A HA 0.063 4.384 4.320 0.000 0.000 0.212 1203 A C 1.713 179.297 177.584 -0.001 0.000 1.201 1203 A CA 0.724 52.754 52.037 -0.010 0.000 0.843 1203 A CB -0.216 18.776 19.000 -0.014 0.000 0.873 1203 A HN 0.225 nan 8.150 nan 0.000 0.492 1204 T N -2.620 111.940 114.554 0.010 0.000 3.134 1204 T HA 0.170 4.520 4.350 0.000 0.000 0.260 1204 T C 0.330 175.167 174.700 0.228 0.000 1.027 1204 T CA -0.610 61.500 62.100 0.016 0.000 0.913 1204 T CB -0.281 68.514 68.868 -0.121 0.000 1.046 1204 T HN 0.213 nan 8.240 nan 0.000 0.553 1205 N N 1.942 120.747 118.700 0.174 0.000 2.364 1205 N HA 0.469 5.209 4.740 0.000 0.000 0.264 1205 N C -0.077 175.556 175.510 0.204 0.000 1.263 1205 N CA -0.277 52.876 53.050 0.172 0.000 0.959 1205 N CB 1.495 40.042 38.487 0.100 0.000 1.204 1205 N HN 0.355 nan 8.380 nan 0.000 0.550 1206 V N -3.294 116.699 119.914 0.132 0.000 2.864 1206 V HA 0.866 4.986 4.120 0.000 0.000 0.314 1206 V C 0.617 176.755 176.094 0.072 0.000 1.073 1206 V CA -0.838 61.515 62.300 0.088 0.000 0.956 1206 V CB 1.154 33.000 31.823 0.038 0.000 1.023 1206 V HN 0.645 nan 8.190 nan 0.000 0.435 1207 G N 0.816 109.659 108.800 0.071 0.000 2.510 1207 G HA2 0.349 4.309 3.960 0.000 0.000 0.280 1207 G HA3 0.349 4.309 3.960 0.000 0.000 0.280 1207 G C 0.137 175.065 174.900 0.048 0.000 1.386 1207 G CA 0.015 45.162 45.100 0.078 0.000 1.047 1207 G HN 0.761 nan 8.290 nan 0.000 0.527 1208 D N -0.346 120.072 120.400 0.031 0.000 2.182 1208 D HA -0.067 4.573 4.640 0.000 0.000 0.201 1208 D C 1.796 178.054 176.300 -0.070 0.000 0.986 1208 D CA 1.070 55.039 54.000 -0.052 0.000 0.847 1208 D CB 0.241 40.944 40.800 -0.160 0.000 0.942 1208 D HN 0.587 nan 8.370 nan 0.000 0.467 1209 E N -0.952 119.232 120.200 -0.027 0.000 2.465 1209 E HA 0.294 4.644 4.350 0.000 0.000 0.195 1209 E C 1.009 177.644 176.600 0.059 0.000 1.028 1209 E CA 0.168 56.587 56.400 0.032 0.000 0.899 1209 E CB 0.894 30.662 29.700 0.114 0.000 1.032 1209 E HN 0.227 nan 8.360 nan 0.000 0.468 1210 G N 1.298 110.111 108.800 0.022 0.000 2.175 1210 G HA2 -0.253 3.707 3.960 0.000 0.000 0.244 1210 G HA3 -0.253 3.707 3.960 0.000 0.000 0.244 1210 G C 0.580 175.441 174.900 -0.064 0.000 0.982 1210 G CA -0.188 44.897 45.100 -0.024 0.000 0.641 1210 G HN 0.467 nan 8.290 nan 0.000 0.527 1211 G N -0.384 108.411 108.800 -0.008 0.000 2.507 1211 G HA2 0.578 4.538 3.960 0.000 0.000 0.271 1211 G HA3 0.578 4.538 3.960 0.000 0.000 0.271 1211 G C 0.114 174.951 174.900 -0.106 0.000 1.189 1211 G CA -0.687 44.395 45.100 -0.029 0.000 0.859 1211 G HN 0.316 nan 8.290 nan 0.000 0.542 1212 F N 0.027 120.075 119.950 0.163 0.000 2.496 1212 F HA 0.356 4.884 4.527 0.000 0.000 0.344 1212 F C 1.088 176.911 175.800 0.039 0.000 1.155 1212 F CA 0.282 58.313 58.000 0.052 0.000 1.302 1212 F CB 1.128 40.103 39.000 -0.041 0.000 1.159 1212 F HN 0.448 nan 8.300 nan 0.000 0.595 1213 A N 3.717 126.661 122.820 0.206 0.000 3.150 1213 A HA 0.391 4.711 4.320 0.000 0.000 0.328 1213 A C -2.545 175.053 177.584 0.024 0.000 1.104 1213 A CA -1.454 50.640 52.037 0.096 0.000 0.937 1213 A CB -0.798 18.251 19.000 0.082 0.000 1.073 1213 A HN 0.367 nan 8.150 nan 0.000 0.497 1214 P HA 0.097 nan 4.420 nan 0.000 0.274 1214 P C -0.339 176.826 177.300 -0.226 0.000 1.231 1214 P CA -0.314 62.675 63.100 -0.186 0.000 0.790 1214 P CB 0.514 32.018 31.700 -0.327 0.000 0.951 1215 N N 1.955 120.498 118.700 -0.263 0.000 3.210 1215 N HA 0.177 4.917 4.740 0.000 0.000 0.314 1215 N C 0.359 175.707 175.510 -0.269 0.000 1.291 1215 N CA -0.469 52.459 53.050 -0.203 0.000 1.202 1215 N CB -0.920 37.492 38.487 -0.124 0.000 1.475 1215 N HN 0.353 nan 8.380 nan 0.000 0.554 1216 I N -4.023 116.383 120.570 -0.275 0.000 2.957 1216 I HA 0.457 4.627 4.170 0.000 0.000 0.310 1216 I C 0.084 176.121 176.117 -0.132 0.000 1.063 1216 I CA -1.241 59.920 61.300 -0.231 0.000 1.033 1216 I CB 1.685 39.496 38.000 -0.314 0.000 1.230 1216 I HN 0.026 nan 8.210 nan 0.000 0.447 1217 L N 1.760 122.931 121.223 -0.086 0.000 2.526 1217 L HA 0.310 4.650 4.340 0.000 0.000 0.210 1217 L C 0.820 177.671 176.870 -0.032 0.000 1.048 1217 L CA 1.088 55.897 54.840 -0.052 0.000 0.852 1217 L CB 0.267 42.306 42.059 -0.032 0.000 1.128 1217 L HN 0.642 nan 8.230 nan 0.000 0.482 1218 E N 1.247 121.430 120.200 -0.029 0.000 2.257 1218 E HA 0.108 4.458 4.350 0.000 0.000 0.278 1218 E C 0.830 177.408 176.600 -0.037 0.000 1.049 1218 E CA -0.003 56.399 56.400 0.003 0.000 0.876 1218 E CB 0.561 30.273 29.700 0.020 0.000 1.035 1218 E HN 0.347 nan 8.360 nan 0.000 0.419 1219 N N 1.415 120.144 118.700 0.048 0.000 2.223 1219 N HA -0.162 4.578 4.740 0.000 0.000 0.185 1219 N C 1.946 177.297 175.510 -0.266 0.000 1.016 1219 N CA 1.506 54.568 53.050 0.021 0.000 0.863 1219 N CB -0.155 38.527 38.487 0.326 0.000 0.983 1219 N HN 0.569 nan 8.380 nan 0.000 0.429 1220 S N 0.955 116.562 115.700 -0.155 0.000 2.419 1220 S HA -0.148 4.322 4.470 0.000 0.000 0.233 1220 S C 1.859 176.288 174.600 -0.285 0.000 1.016 1220 S CA 1.068 59.097 58.200 -0.285 0.000 0.974 1220 S CB -0.134 63.152 63.200 0.143 0.000 0.786 1220 S HN 0.249 nan 8.310 nan 0.000 0.492 1221 E N 2.376 122.466 120.200 -0.184 0.000 2.152 1221 E HA 0.124 4.474 4.350 0.000 0.000 0.192 1221 E C 1.990 178.424 176.600 -0.277 0.000 0.983 1221 E CA 1.141 57.455 56.400 -0.144 0.000 0.818 1221 E CB -0.808 28.860 29.700 -0.053 0.000 0.758 1221 E HN 0.547 nan 8.360 nan 0.000 0.467 1222 A N 0.716 123.242 122.820 -0.490 0.000 1.883 1222 A HA -0.144 4.176 4.320 0.000 0.000 0.217 1222 A C 2.288 179.502 177.584 -0.617 0.000 1.186 1222 A CA 1.541 53.138 52.037 -0.733 0.000 0.624 1222 A CB -0.818 17.231 19.000 -1.584 0.000 0.822 1222 A HN 0.354 nan 8.150 nan 0.000 0.444 1223 L N -0.986 119.829 121.223 -0.680 0.000 2.046 1223 L HA -0.202 4.138 4.340 0.000 0.000 0.208 1223 L C 2.664 179.254 176.870 -0.467 0.000 1.077 1223 L CA 1.691 56.128 54.840 -0.671 0.000 0.747 1223 L CB -0.477 40.802 42.059 -1.300 0.000 0.896 1223 L HN 0.444 nan 8.230 nan 0.000 0.432 1224 E N 0.754 120.748 120.200 -0.343 0.000 2.058 1224 E HA -0.214 4.136 4.350 0.000 0.000 0.194 1224 E C 2.165 178.755 176.600 -0.016 0.000 0.997 1224 E CA 1.481 57.879 56.400 -0.003 0.000 0.801 1224 E CB -0.290 29.446 29.700 0.059 0.000 0.746 1224 E HN 0.356 nan 8.360 nan 0.000 0.450 1225 L N -0.640 120.539 121.223 -0.074 0.000 2.046 1225 L HA -0.177 4.163 4.340 0.000 0.000 0.208 1225 L C 2.456 179.310 176.870 -0.027 0.000 1.077 1225 L CA 1.026 55.842 54.840 -0.039 0.000 0.747 1225 L CB -0.455 41.572 42.059 -0.055 0.000 0.896 1225 L HN 0.093 nan 8.230 nan 0.000 0.432 1226 V N 0.015 119.899 119.914 -0.051 0.000 2.295 1226 V HA -0.301 3.819 4.120 0.000 0.000 0.246 1226 V C 2.538 178.656 176.094 0.039 0.000 1.049 1226 V CA 2.040 64.344 62.300 0.007 0.000 1.024 1226 V CB -0.523 31.307 31.823 0.012 0.000 0.648 1226 V HN 0.396 nan 8.190 nan 0.000 0.447 1227 K N 0.870 121.299 120.400 0.047 0.000 2.057 1227 K HA -0.207 4.113 4.320 0.000 0.000 0.207 1227 K C 2.296 178.941 176.600 0.075 0.000 1.049 1227 K CA 1.978 58.325 56.287 0.100 0.000 0.931 1227 K CB -0.461 32.152 32.500 0.189 0.000 0.714 1227 K HN 0.369 nan 8.250 nan 0.000 0.440 1228 E N -0.447 119.785 120.200 0.054 0.000 2.077 1228 E HA -0.125 4.225 4.350 0.000 0.000 0.193 1228 E C 1.897 178.511 176.600 0.022 0.000 0.989 1228 E CA 1.142 57.561 56.400 0.032 0.000 0.800 1228 E CB -0.582 29.127 29.700 0.015 0.000 0.746 1228 E HN 0.536 nan 8.360 nan 0.000 0.452 1229 A N 0.343 123.178 122.820 0.024 0.000 1.933 1229 A HA -0.011 4.309 4.320 0.000 0.000 0.218 1229 A C 2.356 179.972 177.584 0.054 0.000 1.175 1229 A CA 1.555 53.608 52.037 0.027 0.000 0.628 1229 A CB -0.639 18.379 19.000 0.031 0.000 0.814 1229 A HN 0.549 nan 8.150 nan 0.000 0.444 1230 I N -0.276 120.339 120.570 0.074 0.000 2.163 1230 I HA -0.269 3.902 4.170 0.000 0.000 0.243 1230 I C 2.328 178.492 176.117 0.079 0.000 1.085 1230 I CA 1.939 63.305 61.300 0.109 0.000 1.347 1230 I CB -0.352 37.717 38.000 0.114 0.000 1.044 1230 I HN 0.376 nan 8.210 nan 0.000 0.408 1231 D N 0.731 121.160 120.400 0.049 0.000 2.097 1231 D HA -0.166 4.474 4.640 0.000 0.000 0.197 1231 D C 2.311 178.598 176.300 -0.021 0.000 0.984 1231 D CA 1.229 55.240 54.000 0.018 0.000 0.826 1231 D CB 0.153 40.964 40.800 0.020 0.000 0.973 1231 D HN -0.116 nan 8.370 nan 0.000 0.460 1232 K N -0.535 119.857 120.400 -0.014 0.000 2.148 1232 K HA 0.101 4.421 4.320 0.000 0.000 0.204 1232 K C 2.169 178.731 176.600 -0.064 0.000 1.050 1232 K CA 0.918 57.184 56.287 -0.035 0.000 0.942 1232 K CB -0.623 31.862 32.500 -0.024 0.000 0.724 1232 K HN 0.408 nan 8.250 nan 0.000 0.446 1233 A N -0.758 122.031 122.820 -0.052 0.000 2.168 1233 A HA 0.331 4.651 4.320 0.000 0.000 0.215 1233 A C 1.706 179.039 177.584 -0.419 0.000 1.152 1233 A CA 1.148 53.117 52.037 -0.112 0.000 0.716 1233 A CB -0.478 18.570 19.000 0.080 0.000 0.794 1233 A HN 0.801 nan 8.150 nan 0.000 0.465 1234 G N -2.677 105.922 108.800 -0.336 0.000 2.131 1234 G HA2 -0.283 3.677 3.960 0.000 0.000 0.223 1234 G HA3 -0.283 3.677 3.960 0.000 0.000 0.223 1234 G C 0.175 174.813 174.900 -0.436 0.000 0.990 1234 G CA 0.392 45.247 45.100 -0.409 0.000 0.671 1234 G HN 0.603 nan 8.290 nan 0.000 0.521 1235 Y N 0.202 120.511 120.300 0.013 0.000 2.696 1235 Y HA 0.237 4.787 4.550 0.000 0.000 0.260 1235 Y C 2.352 178.270 175.900 0.031 0.000 1.165 1235 Y CA 0.308 58.419 58.100 0.018 0.000 1.189 1235 Y CB 0.655 39.120 38.460 0.008 0.000 1.180 1235 Y HN 0.225 nan 8.280 nan 0.000 0.538 1236 T N -0.531 114.105 114.554 0.136 0.000 2.778 1236 T HA -0.187 4.163 4.350 0.000 0.000 0.269 1236 T C 1.723 176.495 174.700 0.120 0.000 1.050 1236 T CA 1.840 64.007 62.100 0.111 0.000 1.137 1236 T CB -0.059 68.850 68.868 0.069 0.000 0.860 1236 T HN 0.277 nan 8.240 nan 0.000 0.468 1237 E N 0.352 120.628 120.200 0.128 0.000 2.489 1237 E HA 0.123 4.473 4.350 0.000 0.000 0.193 1237 E C 1.673 178.372 176.600 0.165 0.000 1.057 1237 E CA 0.218 56.695 56.400 0.129 0.000 0.866 1237 E CB 0.014 29.779 29.700 0.109 0.000 0.916 1237 E HN 0.566 nan 8.360 nan 0.000 0.500 1238 K N -0.654 119.845 120.400 0.165 0.000 2.481 1238 K HA 0.347 4.667 4.320 0.000 0.000 0.210 1238 K C 0.125 176.757 176.600 0.054 0.000 1.161 1238 K CA 0.069 56.432 56.287 0.128 0.000 1.023 1238 K CB 1.217 33.783 32.500 0.110 0.000 0.971 1238 K HN 0.186 nan 8.250 nan 0.000 0.577 1239 I N 2.170 122.786 120.570 0.076 0.000 2.498 1239 I HA 0.246 4.417 4.170 0.000 0.000 0.290 1239 I C -0.173 175.979 176.117 0.059 0.000 1.032 1239 I CA -1.215 60.107 61.300 0.037 0.000 1.073 1239 I CB 1.977 40.005 38.000 0.046 0.000 1.251 1239 I HN -0.265 nan 8.210 nan 0.000 0.426 1240 V N 3.931 123.858 119.914 0.021 0.000 3.204 1240 V HA 0.670 4.790 4.120 0.000 0.000 0.316 1240 V C -0.484 175.630 176.094 0.033 0.000 1.160 1240 V CA -0.836 61.493 62.300 0.048 0.000 1.044 1240 V CB 2.381 34.240 31.823 0.059 0.000 1.136 1240 V HN 0.544 nan 8.190 nan 0.000 0.455 1241 I N 0.617 121.225 120.570 0.063 0.000 2.474 1241 I HA 0.774 4.944 4.170 0.000 0.000 0.294 1241 I C 0.444 176.591 176.117 0.051 0.000 1.005 1241 I CA -0.402 60.937 61.300 0.065 0.000 1.113 1241 I CB 1.920 39.976 38.000 0.093 0.000 1.289 1241 I HN 0.967 nan 8.210 nan 0.000 0.436 1242 G N 5.582 114.398 108.800 0.026 0.000 2.498 1242 G HA2 0.843 4.803 3.960 0.000 0.000 0.312 1242 G HA3 0.843 4.803 3.960 0.000 0.000 0.312 1242 G C -1.083 173.790 174.900 -0.047 0.000 1.230 1242 G CA -0.656 44.446 45.100 0.003 0.000 0.968 1242 G HN 0.434 nan 8.290 nan 0.000 0.481 1243 M N 0.749 120.282 119.600 -0.110 0.000 2.572 1243 M HA 0.348 4.828 4.480 0.000 0.000 0.299 1243 M C -1.702 174.463 176.300 -0.224 0.000 1.205 1243 M CA -0.830 54.315 55.300 -0.258 0.000 0.876 1243 M CB 2.971 35.382 32.600 -0.315 0.000 1.728 1243 M HN 0.474 nan 8.290 nan 0.000 0.458 1244 D N 1.369 121.613 120.400 -0.260 0.000 2.453 1244 D HA 0.365 5.005 4.640 0.000 0.000 0.238 1244 D C 0.143 176.300 176.300 -0.237 0.000 1.088 1244 D CA -0.417 53.467 54.000 -0.195 0.000 0.854 1244 D CB 1.677 42.417 40.800 -0.099 0.000 1.076 1244 D HN 0.335 nan 8.370 nan 0.000 0.533 1245 V N 3.523 123.298 119.914 -0.231 0.000 2.453 1245 V HA 0.005 4.126 4.120 0.000 0.000 0.247 1245 V C 1.509 177.557 176.094 -0.076 0.000 1.048 1245 V CA 1.095 63.318 62.300 -0.127 0.000 1.049 1245 V CB -1.112 30.604 31.823 -0.178 0.000 0.672 1245 V HN 0.936 nan 8.190 nan 0.000 0.457 1246 A N -0.003 122.710 122.820 -0.179 0.000 2.667 1246 A HA -0.199 4.121 4.320 0.000 0.000 0.298 1246 A C 1.532 178.858 177.584 -0.430 0.000 1.483 1246 A CA 0.913 52.828 52.037 -0.204 0.000 0.738 1246 A CB -1.645 17.269 19.000 -0.144 0.000 1.067 1246 A HN 1.079 nan 8.150 nan 0.000 0.451 1247 A N -0.295 122.173 122.820 -0.586 0.000 2.070 1247 A HA 0.128 4.448 4.320 0.000 0.000 0.220 1247 A C 2.257 179.383 177.584 -0.762 0.000 1.159 1247 A CA 2.032 53.374 52.037 -1.159 0.000 0.656 1247 A CB -0.550 18.009 19.000 -0.734 0.000 0.800 1247 A HN 1.406 nan 8.150 nan 0.000 0.453 1248 S N 0.154 115.628 115.700 -0.377 0.000 2.442 1248 S HA -0.109 4.361 4.470 0.000 0.000 0.236 1248 S C 1.580 176.017 174.600 -0.273 0.000 1.007 1248 S CA 1.088 59.145 58.200 -0.238 0.000 0.965 1248 S CB -0.187 62.919 63.200 -0.157 0.000 0.773 1248 S HN 0.611 nan 8.310 nan 0.000 0.504 1249 E N 0.862 120.823 120.200 -0.398 0.000 2.347 1249 E HA -0.043 4.307 4.350 0.000 0.000 0.196 1249 E C 0.873 177.120 176.600 -0.587 0.000 1.008 1249 E CA 0.671 56.827 56.400 -0.406 0.000 0.852 1249 E CB -0.085 29.398 29.700 -0.362 0.000 0.783 1249 E HN 0.874 nan 8.360 nan 0.000 0.505 1250 F N -2.691 116.981 119.950 -0.463 0.000 2.817 1250 F HA 0.282 4.810 4.527 0.000 0.000 0.319 1250 F C 0.155 175.832 175.800 -0.206 0.000 1.136 1250 F CA -1.289 56.421 58.000 -0.483 0.000 1.177 1250 F CB -0.478 38.211 39.000 -0.518 0.000 1.088 1250 F HN -0.263 nan 8.300 nan 0.000 0.520 1251 Y N 3.996 124.130 120.300 -0.276 0.000 2.442 1251 Y HA 0.565 5.115 4.550 0.000 0.000 0.330 1251 Y C -0.253 175.423 175.900 -0.373 0.000 1.129 1251 Y CA -0.554 57.287 58.100 -0.431 0.000 1.365 1251 Y CB 0.495 38.719 38.460 -0.394 0.000 1.233 1251 Y HN 0.084 nan 8.280 nan 0.000 0.529 1252 R N 5.083 124.962 120.500 -1.034 0.000 2.510 1252 R HA 0.175 4.515 4.340 0.000 0.000 0.294 1252 R C -1.065 174.748 176.300 -0.812 0.000 1.056 1252 R CA -0.729 54.890 56.100 -0.802 0.000 0.918 1252 R CB 1.185 30.942 30.300 -0.905 0.000 1.187 1252 R HN 0.852 nan 8.270 nan 0.000 0.437 1253 D N 1.527 121.589 120.400 -0.562 0.000 2.837 1253 D HA -0.183 4.457 4.640 0.000 0.000 0.230 1253 D C 0.936 177.029 176.300 -0.346 0.000 1.152 1253 D CA 2.212 56.031 54.000 -0.302 0.000 0.736 1253 D CB -0.809 39.942 40.800 -0.082 0.000 1.084 1253 D HN 1.058 nan 8.370 nan 0.000 0.429 1254 G N -1.395 107.003 108.800 -0.670 0.000 2.175 1254 G HA2 -0.337 3.623 3.960 0.000 0.000 0.244 1254 G HA3 -0.337 3.623 3.960 0.000 0.000 0.244 1254 G C 0.457 175.146 174.900 -0.351 0.000 0.982 1254 G CA 0.754 45.664 45.100 -0.317 0.000 0.641 1254 G HN 0.544 nan 8.290 nan 0.000 0.527 1255 K N -1.499 118.512 120.400 -0.648 0.000 2.263 1255 K HA 0.743 5.063 4.320 0.000 0.000 0.249 1255 K C -1.259 174.862 176.600 -0.798 0.000 1.076 1255 K CA -0.991 55.047 56.287 -0.415 0.000 0.884 1255 K CB 1.406 33.851 32.500 -0.092 0.000 1.394 1255 K HN 0.053 nan 8.250 nan 0.000 0.476 1256 Y N -0.015 120.222 120.300 -0.105 0.000 2.442 1256 Y HA 0.208 4.759 4.550 0.000 0.000 0.344 1256 Y C -0.850 175.026 175.900 -0.041 0.000 0.976 1256 Y CA -0.886 57.230 58.100 0.027 0.000 1.040 1256 Y CB 1.883 40.498 38.460 0.257 0.000 1.228 1256 Y HN 0.438 nan 8.280 nan 0.000 0.451 1257 D N 3.201 123.660 120.400 0.099 0.000 2.460 1257 D HA 0.267 4.907 4.640 0.000 0.000 0.232 1257 D C -0.103 176.169 176.300 -0.047 0.000 1.079 1257 D CA -0.116 53.929 54.000 0.075 0.000 0.864 1257 D CB 0.876 41.713 40.800 0.062 0.000 1.048 1257 D HN 0.641 nan 8.370 nan 0.000 0.523 1258 L N 2.251 123.401 121.223 -0.121 0.000 2.645 1258 L HA 0.141 4.481 4.340 0.000 0.000 0.235 1258 L C 0.677 177.511 176.870 -0.061 0.000 1.150 1258 L CA 0.362 55.045 54.840 -0.262 0.000 0.911 1258 L CB 0.152 42.088 42.059 -0.205 0.000 1.077 1258 L HN 0.258 nan 8.230 nan 0.000 0.438 1259 D N -0.767 119.661 120.400 0.047 0.000 2.895 1259 D HA 0.024 4.664 4.640 0.000 0.000 0.350 1259 D C 1.173 177.519 176.300 0.076 0.000 1.389 1259 D CA -0.466 53.554 54.000 0.033 0.000 0.812 1259 D CB 0.183 40.999 40.800 0.026 0.000 1.164 1259 D HN 0.236 nan 8.370 nan 0.000 0.455 1260 F N -0.111 119.843 119.950 0.007 0.000 2.604 1260 F HA 0.218 4.745 4.527 0.000 0.000 0.298 1260 F C 1.317 177.154 175.800 0.061 0.000 1.131 1260 F CA 0.440 58.478 58.000 0.064 0.000 1.457 1260 F CB 0.008 39.072 39.000 0.107 0.000 1.095 1260 F HN -0.144 nan 8.300 nan 0.000 0.574 1261 K N 0.591 120.652 120.400 -0.566 0.000 2.444 1261 K HA 0.185 4.505 4.320 0.000 0.000 0.193 1261 K C 0.149 176.646 176.600 -0.171 0.000 1.024 1261 K CA -0.052 55.965 56.287 -0.450 0.000 1.077 1261 K CB 0.165 32.339 32.500 -0.542 0.000 0.833 1261 K HN 0.164 nan 8.250 nan 0.000 0.517 1262 S N 1.506 117.150 115.700 -0.093 0.000 2.651 1262 S HA 0.364 4.834 4.470 0.000 0.000 0.291 1262 S C -2.528 172.080 174.600 0.013 0.000 1.141 1262 S CA -1.366 56.815 58.200 -0.032 0.000 1.027 1262 S CB 1.452 64.641 63.200 -0.019 0.000 1.043 1262 S HN -0.065 nan 8.310 nan 0.000 0.530 1263 P HA 0.073 nan 4.420 nan 0.000 0.265 1263 P C -0.559 176.767 177.300 0.042 0.000 1.193 1263 P CA 0.041 63.158 63.100 0.028 0.000 0.765 1263 P CB -0.077 31.631 31.700 0.014 0.000 0.823 1264 T N 3.037 117.628 114.554 0.061 0.000 2.849 1264 T HA 0.003 4.353 4.350 0.000 0.000 0.289 1264 T C 0.190 174.901 174.700 0.019 0.000 1.010 1264 T CA 0.909 63.057 62.100 0.079 0.000 1.161 1264 T CB -0.389 68.528 68.868 0.082 0.000 0.989 1264 T HN 0.450 nan 8.240 nan 0.000 0.523 1265 D N 4.027 124.421 120.400 -0.010 0.000 2.411 1265 D HA 0.293 4.933 4.640 0.000 0.000 0.239 1265 D C -2.201 173.888 176.300 -0.351 0.000 1.307 1265 D CA -2.136 51.793 54.000 -0.117 0.000 0.930 1265 D CB 1.416 42.180 40.800 -0.061 0.000 1.395 1265 D HN 0.082 nan 8.370 nan 0.000 0.536 1266 P HA -0.122 nan 4.420 nan 0.000 0.221 1266 P C 1.295 178.128 177.300 -0.780 0.000 1.145 1266 P CA 0.965 63.298 63.100 -1.278 0.000 0.795 1266 P CB 0.218 31.526 31.700 -0.652 0.000 0.775 1267 S N 0.112 115.591 115.700 -0.369 0.000 2.507 1267 S HA -0.139 4.331 4.470 0.000 0.000 0.235 1267 S C 1.748 176.267 174.600 -0.135 0.000 0.988 1267 S CA 0.354 58.433 58.200 -0.201 0.000 0.944 1267 S CB -0.893 62.237 63.200 -0.115 0.000 0.762 1267 S HN 0.318 nan 8.310 nan 0.000 0.526 1268 R N -0.134 120.279 120.500 -0.145 0.000 2.310 1268 R HA 0.207 4.547 4.340 0.000 0.000 0.202 1268 R C -0.044 176.346 176.300 0.150 0.000 0.933 1268 R CA -0.390 55.713 56.100 0.005 0.000 1.054 1268 R CB -0.485 29.835 30.300 0.034 0.000 0.985 1268 R HN 0.470 nan 8.270 nan 0.000 0.489 1269 Y N 2.229 122.537 120.300 0.013 0.000 2.457 1269 Y HA 0.159 4.709 4.550 0.000 0.000 0.341 1269 Y C 1.031 176.952 175.900 0.035 0.000 1.240 1269 Y CA -1.112 57.003 58.100 0.024 0.000 1.437 1269 Y CB 0.568 39.025 38.460 -0.004 0.000 1.328 1269 Y HN 0.039 nan 8.280 nan 0.000 0.588 1270 I N -1.079 119.633 120.570 0.236 0.000 2.957 1270 I HA 0.585 4.755 4.170 0.000 0.000 0.310 1270 I C -0.108 176.136 176.117 0.212 0.000 1.063 1270 I CA -0.993 60.405 61.300 0.164 0.000 1.033 1270 I CB 2.184 40.242 38.000 0.098 0.000 1.230 1270 I HN 0.511 nan 8.210 nan 0.000 0.447 1271 T N 0.309 114.959 114.554 0.160 0.000 2.816 1271 T HA 0.352 4.702 4.350 0.000 0.000 0.282 1271 T C 1.242 176.090 174.700 0.248 0.000 0.993 1271 T CA -0.058 62.161 62.100 0.200 0.000 0.994 1271 T CB 1.251 70.191 68.868 0.119 0.000 1.025 1271 T HN 0.902 nan 8.240 nan 0.000 0.529 1272 G N 0.027 109.018 108.800 0.317 0.000 2.450 1272 G HA2 -0.236 3.725 3.960 0.000 0.000 0.220 1272 G HA3 -0.236 3.725 3.960 0.000 0.000 0.220 1272 G C 1.129 176.072 174.900 0.071 0.000 1.130 1272 G CA 1.106 46.337 45.100 0.218 0.000 0.760 1272 G HN 0.942 nan 8.290 nan 0.000 0.557 1273 D N 0.011 120.437 120.400 0.043 0.000 2.117 1273 D HA -0.112 4.528 4.640 0.000 0.000 0.197 1273 D C 2.507 178.802 176.300 -0.008 0.000 0.987 1273 D CA 1.234 55.245 54.000 0.018 0.000 0.829 1273 D CB -0.154 40.661 40.800 0.025 0.000 0.961 1273 D HN 0.426 nan 8.370 nan 0.000 0.460 1274 Q N -0.706 119.088 119.800 -0.010 0.000 2.124 1274 Q HA -0.104 4.236 4.340 0.000 0.000 0.202 1274 Q C 2.134 178.032 176.000 -0.171 0.000 0.977 1274 Q CA 0.772 56.541 55.803 -0.058 0.000 0.850 1274 Q CB -0.108 28.618 28.738 -0.019 0.000 0.901 1274 Q HN 0.325 nan 8.270 nan 0.000 0.429 1275 L N 0.388 121.486 121.223 -0.208 0.000 2.056 1275 L HA -0.024 4.317 4.340 0.000 0.000 0.207 1275 L C 2.098 178.473 176.870 -0.824 0.000 1.078 1275 L CA 2.129 56.649 54.840 -0.532 0.000 0.749 1275 L CB -0.981 40.785 42.059 -0.489 0.000 0.901 1275 L HN 0.164 nan 8.230 nan 0.000 0.433 1276 G N -1.033 107.556 108.800 -0.351 0.000 2.442 1276 G HA2 -0.269 3.691 3.960 0.000 0.000 0.219 1276 G HA3 -0.269 3.691 3.960 0.000 0.000 0.219 1276 G C 1.599 176.452 174.900 -0.079 0.000 1.141 1276 G CA 0.800 45.797 45.100 -0.173 0.000 0.763 1276 G HN 0.624 nan 8.290 nan 0.000 0.554 1277 A N 0.290 123.045 122.820 -0.109 0.000 1.933 1277 A HA 0.084 4.404 4.320 0.000 0.000 0.218 1277 A C 2.328 179.812 177.584 -0.167 0.000 1.175 1277 A CA 1.611 53.608 52.037 -0.067 0.000 0.628 1277 A CB -0.366 18.599 19.000 -0.058 0.000 0.814 1277 A HN 0.426 nan 8.150 nan 0.000 0.444 1278 L N -1.320 119.682 121.223 -0.368 0.000 2.046 1278 L HA -0.123 4.217 4.340 0.000 0.000 0.208 1278 L C 2.272 178.696 176.870 -0.743 0.000 1.077 1278 L CA 1.873 56.368 54.840 -0.575 0.000 0.747 1278 L CB -0.862 40.771 42.059 -0.709 0.000 0.896 1278 L HN 0.461 nan 8.230 nan 0.000 0.432 1279 Y N -0.237 119.768 120.300 -0.492 0.000 2.207 1279 Y HA -0.219 4.331 4.550 0.000 0.000 0.287 1279 Y C 2.716 178.623 175.900 0.012 0.000 1.156 1279 Y CA 1.093 59.021 58.100 -0.288 0.000 1.182 1279 Y CB -1.049 37.306 38.460 -0.175 0.000 0.979 1279 Y HN 0.313 nan 8.280 nan 0.000 0.521 1280 Q N 0.187 120.120 119.800 0.222 0.000 2.124 1280 Q HA -0.174 4.166 4.340 0.000 0.000 0.202 1280 Q C 1.612 177.697 176.000 0.142 0.000 0.977 1280 Q CA 1.516 57.438 55.803 0.199 0.000 0.850 1280 Q CB -0.383 28.447 28.738 0.153 0.000 0.901 1280 Q HN 0.525 nan 8.270 nan 0.000 0.429 1281 D N -0.000 120.439 120.400 0.066 0.000 2.117 1281 D HA -0.099 4.541 4.640 0.000 0.000 0.197 1281 D C 1.857 178.352 176.300 0.326 0.000 0.987 1281 D CA 0.836 54.906 54.000 0.118 0.000 0.829 1281 D CB -0.443 40.391 40.800 0.056 0.000 0.961 1281 D HN 0.272 nan 8.370 nan 0.000 0.460 1282 F N 0.519 120.626 119.950 0.262 0.000 2.134 1282 F HA -0.178 4.349 4.527 0.000 0.000 0.299 1282 F C 2.490 178.481 175.800 0.318 0.000 1.097 1282 F CA 0.200 58.428 58.000 0.380 0.000 1.264 1282 F CB -0.201 38.991 39.000 0.320 0.000 1.001 1282 F HN -0.145 nan 8.300 nan 0.000 0.479 1283 V N 0.154 120.321 119.914 0.421 0.000 2.515 1283 V HA -0.271 3.849 4.120 0.000 0.000 0.250 1283 V C 2.242 178.449 176.094 0.189 0.000 1.058 1283 V CA 1.808 64.272 62.300 0.273 0.000 1.064 1283 V CB -0.607 31.341 31.823 0.208 0.000 0.675 1283 V HN 0.184 nan 8.190 nan 0.000 0.461 1284 R N 0.820 121.417 120.500 0.161 0.000 2.073 1284 R HA -0.092 4.248 4.340 0.000 0.000 0.229 1284 R C 1.632 177.950 176.300 0.030 0.000 1.120 1284 R CA 1.791 57.942 56.100 0.084 0.000 0.967 1284 R CB -0.516 29.823 30.300 0.065 0.000 0.862 1284 R HN 0.459 nan 8.270 nan 0.000 0.436 1285 D N -1.525 118.872 120.400 -0.004 0.000 2.354 1285 D HA 0.071 4.711 4.640 0.000 0.000 0.209 1285 D C -0.436 175.537 176.300 -0.544 0.000 1.015 1285 D CA 0.602 54.425 54.000 -0.295 0.000 0.867 1285 D CB 0.357 40.872 40.800 -0.474 0.000 0.933 1285 D HN 0.127 nan 8.370 nan 0.000 0.520 1286 Y N -0.705 119.663 120.300 0.113 0.000 2.576 1286 Y HA 0.339 4.889 4.550 0.000 0.000 0.346 1286 Y C -2.028 173.929 175.900 0.094 0.000 1.018 1286 Y CA -2.516 55.636 58.100 0.087 0.000 1.050 1286 Y CB 1.578 40.079 38.460 0.068 0.000 1.280 1286 Y HN -0.290 nan 8.280 nan 0.000 0.474 1287 P HA 0.094 nan 4.420 nan 0.000 0.218 1287 P C -0.701 176.701 177.300 0.169 0.000 1.793 1287 P CA 0.227 63.430 63.100 0.172 0.000 0.941 1287 P CB -0.242 31.544 31.700 0.143 0.000 1.919 1288 V N 2.251 122.283 119.914 0.197 0.000 2.427 1288 V HA 0.021 4.141 4.120 0.000 0.000 0.268 1288 V C 1.809 177.992 176.094 0.149 0.000 1.046 1288 V CA 0.171 62.572 62.300 0.169 0.000 0.970 1288 V CB 1.354 33.303 31.823 0.210 0.000 1.001 1288 V HN 0.216 nan 8.190 nan 0.000 0.476 1289 V N 1.629 121.626 119.914 0.138 0.000 3.605 1289 V HA 0.472 4.592 4.120 0.000 0.000 0.284 1289 V C 0.504 176.686 176.094 0.146 0.000 1.386 1289 V CA 0.372 62.768 62.300 0.161 0.000 1.053 1289 V CB 0.676 32.649 31.823 0.249 0.000 0.857 1289 V HN 0.676 nan 8.190 nan 0.000 0.436 1290 S N 0.003 115.766 115.700 0.105 0.000 2.562 1290 S HA 0.770 5.240 4.470 0.000 0.000 0.274 1290 S C -1.333 173.267 174.600 -0.000 0.000 1.160 1290 S CA -0.490 57.753 58.200 0.072 0.000 0.933 1290 S CB 1.588 64.857 63.200 0.115 0.000 1.100 1290 S HN 0.347 nan 8.310 nan 0.000 0.468 1291 I N 3.403 123.943 120.570 -0.050 0.000 2.499 1291 I HA 0.437 4.607 4.170 0.000 0.000 0.288 1291 I C -0.254 175.758 176.117 -0.174 0.000 1.048 1291 I CA -0.535 60.661 61.300 -0.173 0.000 1.062 1291 I CB 2.005 39.813 38.000 -0.320 0.000 1.238 1291 I HN 0.629 nan 8.210 nan 0.000 0.426 1292 E N 5.592 125.686 120.200 -0.175 0.000 2.204 1292 E HA 0.165 4.515 4.350 0.000 0.000 0.276 1292 E C -0.808 175.674 176.600 -0.196 0.000 0.974 1292 E CA -0.479 55.859 56.400 -0.103 0.000 0.815 1292 E CB 1.004 30.679 29.700 -0.042 0.000 1.119 1292 E HN 0.507 nan 8.360 nan 0.000 0.393 1293 D N 4.261 124.629 120.400 -0.054 0.000 2.810 1293 D HA -0.148 4.492 4.640 0.000 0.000 0.224 1293 D C -1.806 174.151 176.300 -0.571 0.000 1.222 1293 D CA 0.367 54.296 54.000 -0.118 0.000 0.698 1293 D CB -0.368 40.430 40.800 -0.003 0.000 0.961 1293 D HN 0.450 nan 8.370 nan 0.000 0.403 1294 P HA -0.100 nan 4.420 nan 0.000 0.223 1294 P C 0.288 176.617 177.300 -1.617 0.000 1.151 1294 P CA 1.043 63.307 63.100 -1.394 0.000 0.787 1294 P CB 0.275 30.905 31.700 -1.785 0.000 0.788 1295 F N -1.079 118.317 119.950 -0.923 0.000 2.650 1295 F HA 0.368 4.895 4.527 0.000 0.000 0.320 1295 F C 0.558 176.293 175.800 -0.107 0.000 1.091 1295 F CA -1.430 56.214 58.000 -0.593 0.000 0.962 1295 F CB 0.062 38.668 39.000 -0.655 0.000 1.363 1295 F HN -0.359 nan 8.300 nan 0.000 0.482 1296 D N 0.692 121.272 120.400 0.300 0.000 2.419 1296 D HA 0.020 4.660 4.640 0.000 0.000 0.236 1296 D C 1.163 177.529 176.300 0.110 0.000 1.165 1296 D CA 0.192 54.216 54.000 0.039 0.000 0.882 1296 D CB 0.834 41.333 40.800 -0.502 0.000 1.201 1296 D HN 0.634 nan 8.370 nan 0.000 0.443 1297 Q N 1.282 121.053 119.800 -0.049 0.000 2.297 1297 Q HA -0.187 4.153 4.340 0.000 0.000 0.208 1297 Q C 0.008 175.853 176.000 -0.259 0.000 0.981 1297 Q CA 1.243 56.976 55.803 -0.118 0.000 0.876 1297 Q CB 0.107 28.833 28.738 -0.019 0.000 0.921 1297 Q HN 0.503 nan 8.270 nan 0.000 0.446 1298 D N 0.581 120.861 120.400 -0.201 0.000 2.398 1298 D HA 0.024 4.664 4.640 0.000 0.000 0.210 1298 D C -0.347 175.882 176.300 -0.118 0.000 1.094 1298 D CA 0.108 54.033 54.000 -0.126 0.000 0.839 1298 D CB 0.260 41.079 40.800 0.032 0.000 0.963 1298 D HN 0.183 nan 8.370 nan 0.000 0.506 1299 D N -0.157 120.177 120.400 -0.110 0.000 2.896 1299 D HA 0.018 4.658 4.640 0.000 0.000 0.240 1299 D C 0.873 177.295 176.300 0.203 0.000 1.193 1299 D CA -0.479 53.576 54.000 0.091 0.000 0.983 1299 D CB -0.395 40.505 40.800 0.167 0.000 1.074 1299 D HN 0.050 nan 8.370 nan 0.000 0.496 1300 W N 1.632 123.030 121.300 0.163 0.000 2.325 1300 W HA -0.204 4.456 4.660 0.000 0.000 0.299 1300 W C 2.422 179.030 176.519 0.148 0.000 1.215 1300 W CA 1.145 58.570 57.345 0.132 0.000 1.244 1300 W CB -0.371 29.104 29.460 0.026 0.000 1.140 1300 W HN 0.363 nan 8.180 nan 0.000 0.523 1301 A N 0.371 123.370 122.820 0.299 0.000 1.902 1301 A HA -0.081 4.239 4.320 0.000 0.000 0.217 1301 A C 2.091 179.706 177.584 0.052 0.000 1.181 1301 A CA 2.418 54.552 52.037 0.162 0.000 0.623 1301 A CB -1.231 17.834 19.000 0.107 0.000 0.818 1301 A HN 0.210 nan 8.150 nan 0.000 0.443 1302 A N -1.554 121.208 122.820 -0.097 0.000 1.897 1302 A HA -0.062 4.258 4.320 0.000 0.000 0.215 1302 A C 1.936 179.239 177.584 -0.468 0.000 1.181 1302 A CA 1.253 52.945 52.037 -0.576 0.000 0.620 1302 A CB -0.819 17.425 19.000 -1.260 0.000 0.821 1302 A HN 0.704 nan 8.150 nan 0.000 0.443 1303 W N -0.025 121.148 121.300 -0.212 0.000 2.355 1303 W HA -0.146 4.515 4.660 0.000 0.000 0.309 1303 W C 3.067 179.664 176.519 0.131 0.000 1.206 1303 W CA 1.865 59.267 57.345 0.095 0.000 1.284 1303 W CB -0.625 28.868 29.460 0.055 0.000 1.145 1303 W HN 0.323 nan 8.180 nan 0.000 0.502 1304 S N 0.191 116.110 115.700 0.364 0.000 2.368 1304 S HA -0.246 4.224 4.470 0.000 0.000 0.225 1304 S C 1.997 176.698 174.600 0.169 0.000 1.030 1304 S CA 1.836 60.186 58.200 0.250 0.000 0.999 1304 S CB -0.446 62.884 63.200 0.217 0.000 0.844 1304 S HN 0.266 nan 8.310 nan 0.000 0.459 1305 K N -0.742 119.735 120.400 0.128 0.000 2.057 1305 K HA -0.121 4.199 4.320 0.000 0.000 0.207 1305 K C 1.953 178.636 176.600 0.137 0.000 1.049 1305 K CA 1.604 57.948 56.287 0.094 0.000 0.931 1305 K CB -0.423 32.105 32.500 0.048 0.000 0.714 1305 K HN 0.438 nan 8.250 nan 0.000 0.440 1306 F N 1.769 121.734 119.950 0.026 0.000 2.113 1306 F HA -0.156 4.371 4.527 0.000 0.000 0.297 1306 F C 2.096 177.949 175.800 0.088 0.000 1.103 1306 F CA 1.809 59.866 58.000 0.095 0.000 1.248 1306 F CB -0.644 38.504 39.000 0.247 0.000 0.999 1306 F HN -0.004 nan 8.300 nan 0.000 0.475 1307 T N 0.351 114.975 114.554 0.117 0.000 2.803 1307 T HA -0.168 4.182 4.350 0.000 0.000 0.269 1307 T C 2.048 176.706 174.700 -0.069 0.000 1.052 1307 T CA 1.294 63.388 62.100 -0.009 0.000 1.136 1307 T CB -0.705 68.231 68.868 0.113 0.000 0.864 1307 T HN 0.338 nan 8.240 nan 0.000 0.467 1308 A N 1.356 124.166 122.820 -0.017 0.000 2.209 1308 A HA 0.046 4.366 4.320 0.000 0.000 0.212 1308 A C 1.798 179.344 177.584 -0.063 0.000 1.158 1308 A CA 0.707 52.730 52.037 -0.023 0.000 0.742 1308 A CB -0.092 18.918 19.000 0.016 0.000 0.790 1308 A HN 0.332 nan 8.150 nan 0.000 0.472 1309 N N -0.319 118.304 118.700 -0.128 0.000 2.200 1309 N HA 0.194 4.935 4.740 0.000 0.000 0.224 1309 N C -0.321 175.054 175.510 -0.226 0.000 1.179 1309 N CA 0.767 53.735 53.050 -0.136 0.000 0.877 1309 N CB 1.257 39.691 38.487 -0.088 0.000 1.072 1309 N HN 0.413 nan 8.380 nan 0.000 0.519 1310 V N -4.787 114.957 119.914 -0.283 0.000 3.181 1310 V HA 0.862 4.982 4.120 0.000 0.000 0.308 1310 V C 0.734 176.729 176.094 -0.165 0.000 1.214 1310 V CA -0.795 61.341 62.300 -0.273 0.000 1.053 1310 V CB 1.470 32.997 31.823 -0.492 0.000 1.069 1310 V HN -0.134 nan 8.190 nan 0.000 0.441 1311 G N 0.580 109.314 108.800 -0.110 0.000 3.192 1311 G HA2 0.334 4.294 3.960 0.000 0.000 0.239 1311 G HA3 0.334 4.294 3.960 0.000 0.000 0.239 1311 G C 0.424 175.290 174.900 -0.057 0.000 1.084 1311 G CA 0.445 45.503 45.100 -0.071 0.000 0.784 1311 G HN 1.072 nan 8.290 nan 0.000 0.540 1312 I N -2.418 118.116 120.570 -0.059 0.000 3.021 1312 I HA 0.492 4.662 4.170 0.000 0.000 0.303 1312 I C 0.286 176.381 176.117 -0.036 0.000 1.044 1312 I CA -1.039 60.250 61.300 -0.019 0.000 1.266 1312 I CB 0.759 38.770 38.000 0.019 0.000 1.447 1312 I HN -0.079 nan 8.210 nan 0.000 0.593 1313 Q N 2.351 122.146 119.800 -0.010 0.000 2.313 1313 Q HA 0.323 4.663 4.340 0.000 0.000 0.266 1313 Q C -1.271 174.720 176.000 -0.014 0.000 0.989 1313 Q CA -0.310 55.477 55.803 -0.028 0.000 0.890 1313 Q CB 0.835 29.578 28.738 0.007 0.000 1.200 1313 Q HN 0.548 nan 8.270 nan 0.000 0.396 1314 I N 5.381 125.929 120.570 -0.037 0.000 2.411 1314 I HA 0.263 4.433 4.170 0.000 0.000 0.284 1314 I C -0.745 175.380 176.117 0.013 0.000 1.012 1314 I CA -0.612 60.698 61.300 0.016 0.000 1.119 1314 I CB 1.391 39.441 38.000 0.083 0.000 1.261 1314 I HN 0.422 nan 8.210 nan 0.000 0.448 1315 V N 5.199 125.148 119.914 0.058 0.000 2.394 1315 V HA 0.582 4.703 4.120 0.000 0.000 0.282 1315 V C 0.846 177.050 176.094 0.184 0.000 1.031 1315 V CA -0.678 61.656 62.300 0.056 0.000 0.881 1315 V CB 1.628 33.477 31.823 0.044 0.000 0.982 1315 V HN 0.868 nan 8.190 nan 0.000 0.451 1316 G N 2.028 110.857 108.800 0.049 0.000 2.370 1316 G HA2 0.411 4.371 3.960 0.000 0.000 0.272 1316 G HA3 0.411 4.371 3.960 0.000 0.000 0.272 1316 G C -0.054 174.871 174.900 0.042 0.000 1.208 1316 G CA 0.016 45.095 45.100 -0.035 0.000 0.856 1316 G HN 0.779 nan 8.290 nan 0.000 0.500 1317 D N 0.480 120.913 120.400 0.055 0.000 3.074 1317 D HA -0.015 4.625 4.640 0.000 0.000 0.227 1317 D C 1.379 177.693 176.300 0.024 0.000 1.553 1317 D CA 0.103 54.134 54.000 0.052 0.000 1.347 1317 D CB 0.125 40.962 40.800 0.062 0.000 1.021 1317 D HN 0.178 nan 8.370 nan 0.000 0.260 1318 D N 0.345 120.759 120.400 0.024 0.000 2.264 1318 D HA -0.069 4.571 4.640 0.000 0.000 0.208 1318 D C 2.047 178.331 176.300 -0.027 0.000 0.966 1318 D CA 0.255 54.263 54.000 0.013 0.000 0.864 1318 D CB -0.006 40.795 40.800 0.001 0.000 0.933 1318 D HN 0.175 nan 8.370 nan 0.000 0.499 1319 L N 0.762 121.887 121.223 -0.163 0.000 2.046 1319 L HA -0.146 4.194 4.340 0.000 0.000 0.208 1319 L C 2.085 178.802 176.870 -0.254 0.000 1.077 1319 L CA 1.932 56.499 54.840 -0.455 0.000 0.747 1319 L CB -0.602 40.803 42.059 -1.090 0.000 0.896 1319 L HN 0.083 nan 8.230 nan 0.000 0.432 1320 T N -4.083 110.397 114.554 -0.123 0.000 2.990 1320 T HA 0.123 4.473 4.350 0.000 0.000 0.249 1320 T C 0.945 175.663 174.700 0.030 0.000 1.039 1320 T CA 0.381 62.478 62.100 -0.005 0.000 1.036 1320 T CB -0.575 68.342 68.868 0.081 0.000 0.994 1320 T HN 0.511 nan 8.240 nan 0.000 0.489 1321 V N 0.804 120.741 119.914 0.039 0.000 5.257 1321 V HA -0.268 3.852 4.120 0.000 0.000 0.265 1321 V C 0.432 176.553 176.094 0.045 0.000 0.646 1321 V CA 0.785 63.117 62.300 0.054 0.000 0.650 1321 V CB -3.525 28.350 31.823 0.086 0.000 0.424 1321 V HN 0.733 nan 8.190 nan 0.000 0.862 1322 T N -1.276 113.307 114.554 0.048 0.000 3.897 1322 T HA -0.261 4.089 4.350 0.000 0.000 0.353 1322 T C 0.217 174.928 174.700 0.019 0.000 0.758 1322 T CA 1.564 63.688 62.100 0.040 0.000 1.883 1322 T CB -1.535 67.357 68.868 0.040 0.000 1.849 1322 T HN 1.367 nan 8.240 nan 0.000 0.791 1323 N N 0.416 119.123 118.700 0.013 0.000 2.483 1323 N HA 0.334 5.074 4.740 0.000 0.000 0.267 1323 N C -2.068 173.425 175.510 -0.029 0.000 0.998 1323 N CA -2.309 50.738 53.050 -0.005 0.000 0.918 1323 N CB 2.247 40.735 38.487 0.002 0.000 1.215 1323 N HN -0.119 nan 8.380 nan 0.000 0.500 1324 P HA -0.116 nan 4.420 nan 0.000 0.217 1324 P C 0.742 177.995 177.300 -0.077 0.000 1.148 1324 P CA 1.494 64.550 63.100 -0.073 0.000 0.828 1324 P CB 0.497 32.155 31.700 -0.069 0.000 0.783 1325 K N -0.835 119.526 120.400 -0.065 0.000 2.097 1325 K HA -0.049 4.271 4.320 0.000 0.000 0.205 1325 K C 2.185 178.738 176.600 -0.078 0.000 1.050 1325 K CA 0.950 57.191 56.287 -0.076 0.000 0.938 1325 K CB -0.133 32.323 32.500 -0.073 0.000 0.718 1325 K HN 0.049 nan 8.250 nan 0.000 0.442 1326 R N 0.698 121.166 120.500 -0.053 0.000 2.090 1326 R HA 0.010 4.350 4.340 0.000 0.000 0.228 1326 R C 2.271 178.602 176.300 0.051 0.000 1.110 1326 R CA 0.945 57.042 56.100 -0.005 0.000 0.973 1326 R CB -0.473 29.825 30.300 -0.003 0.000 0.869 1326 R HN 0.242 nan 8.270 nan 0.000 0.440 1327 I N 1.127 121.695 120.570 -0.002 0.000 2.226 1327 I HA -0.252 3.918 4.170 0.000 0.000 0.245 1327 I C 2.394 178.447 176.117 -0.106 0.000 1.100 1327 I CA 1.415 62.685 61.300 -0.050 0.000 1.374 1327 I CB -0.303 37.590 38.000 -0.179 0.000 1.057 1327 I HN 0.062 nan 8.210 nan 0.000 0.413 1328 E N 0.246 120.375 120.200 -0.118 0.000 2.118 1328 E HA -0.272 4.079 4.350 0.000 0.000 0.195 1328 E C 2.142 178.684 176.600 -0.097 0.000 0.992 1328 E CA 1.382 57.706 56.400 -0.126 0.000 0.804 1328 E CB -0.555 29.073 29.700 -0.119 0.000 0.741 1328 E HN 0.513 nan 8.360 nan 0.000 0.458 1329 R N 0.207 120.641 120.500 -0.109 0.000 2.075 1329 R HA -0.058 4.282 4.340 0.000 0.000 0.232 1329 R C 2.489 178.730 176.300 -0.098 0.000 1.126 1329 R CA 1.397 57.365 56.100 -0.220 0.000 0.963 1329 R CB -0.438 29.600 30.300 -0.438 0.000 0.858 1329 R HN 0.310 nan 8.270 nan 0.000 0.435 1330 A N 0.296 123.223 122.820 0.178 0.000 1.933 1330 A HA -0.094 4.226 4.320 0.000 0.000 0.218 1330 A C 2.246 180.087 177.584 0.429 0.000 1.175 1330 A CA 1.532 53.840 52.037 0.451 0.000 0.628 1330 A CB -0.522 18.824 19.000 0.576 0.000 0.814 1330 A HN 0.231 nan 8.150 nan 0.000 0.444 1331 V N -0.340 119.753 119.914 0.298 0.000 2.295 1331 V HA -0.234 3.886 4.120 0.000 0.000 0.246 1331 V C 2.727 178.908 176.094 0.144 0.000 1.049 1331 V CA 2.359 64.795 62.300 0.226 0.000 1.024 1331 V CB -0.816 30.957 31.823 -0.084 0.000 0.648 1331 V HN 0.764 nan 8.190 nan 0.000 0.447 1332 E N -0.168 120.058 120.200 0.043 0.000 2.110 1332 E HA -0.232 4.119 4.350 0.000 0.000 0.193 1332 E C 1.946 178.562 176.600 0.027 0.000 0.988 1332 E CA 1.597 57.999 56.400 0.003 0.000 0.804 1332 E CB -0.257 29.405 29.700 -0.063 0.000 0.745 1332 E HN 0.849 nan 8.360 nan 0.000 0.458 1333 E N -0.340 119.887 120.200 0.045 0.000 2.489 1333 E HA 0.104 4.455 4.350 0.000 0.000 0.193 1333 E C 0.223 176.916 176.600 0.155 0.000 1.057 1333 E CA 0.051 56.497 56.400 0.077 0.000 0.866 1333 E CB 0.100 29.840 29.700 0.067 0.000 0.916 1333 E HN 0.292 nan 8.360 nan 0.000 0.500 1334 K N -0.291 120.220 120.400 0.185 0.000 3.148 1334 K HA -0.256 4.064 4.320 0.000 0.000 0.267 1334 K C 0.743 177.461 176.600 0.196 0.000 0.996 1334 K CA 0.205 56.606 56.287 0.190 0.000 0.737 1334 K CB -1.364 31.215 32.500 0.131 0.000 1.308 1334 K HN 0.246 nan 8.250 nan 0.000 0.470 1335 A N -0.423 122.550 122.820 0.255 0.000 1.970 1335 A HA -0.001 4.319 4.320 0.000 0.000 0.216 1335 A C 1.148 178.881 177.584 0.249 0.000 1.170 1335 A CA 1.334 53.545 52.037 0.290 0.000 0.645 1335 A CB -0.167 19.006 19.000 0.288 0.000 0.816 1335 A HN 0.808 nan 8.150 nan 0.000 0.447 1336 C N -3.552 115.741 119.300 -0.011 0.000 3.316 1336 C HA 0.744 5.205 4.460 0.000 0.000 0.360 1336 C C -0.331 174.242 174.990 -0.696 0.000 1.560 1336 C CA -0.215 58.685 59.018 -0.197 0.000 1.229 1336 C CB 1.216 28.816 27.740 -0.233 0.000 1.823 1336 C HN 0.504 nan 8.230 nan 0.000 0.440 1337 N N -1.163 117.075 118.700 -0.770 0.000 2.232 1337 N HA 0.350 5.090 4.740 0.000 0.000 0.240 1337 N C -0.799 174.291 175.510 -0.700 0.000 1.307 1337 N CA 0.046 52.536 53.050 -0.934 0.000 0.859 1337 N CB 0.373 38.643 38.487 -0.362 0.000 1.260 1337 N HN 1.065 nan 8.380 nan 0.000 0.501 1338 C N 0.562 119.475 119.300 -0.645 0.000 2.891 1338 C HA 0.702 5.162 4.460 0.000 0.000 0.342 1338 C C -1.634 173.343 174.990 -0.023 0.000 1.126 1338 C CA -1.122 57.809 59.018 -0.145 0.000 1.322 1338 C CB 0.422 28.127 27.740 -0.059 0.000 1.763 1338 C HN 0.434 nan 8.230 nan 0.000 0.491 1339 L N 5.228 126.617 121.223 0.278 0.000 2.295 1339 L HA 0.741 5.081 4.340 0.000 0.000 0.285 1339 L C -0.650 176.316 176.870 0.160 0.000 1.035 1339 L CA -0.208 54.810 54.840 0.297 0.000 0.806 1339 L CB 1.347 43.631 42.059 0.375 0.000 1.214 1339 L HN 0.733 nan 8.230 nan 0.000 0.426 1340 L N 5.238 126.534 121.223 0.122 0.000 2.281 1340 L HA 0.408 4.748 4.340 0.000 0.000 0.285 1340 L C -0.827 176.099 176.870 0.094 0.000 1.074 1340 L CA 0.091 54.989 54.840 0.097 0.000 0.817 1340 L CB 1.025 43.135 42.059 0.084 0.000 1.168 1340 L HN 0.690 nan 8.230 nan 0.000 0.434 1341 L N 6.149 127.424 121.223 0.085 0.000 2.264 1341 L HA 0.430 4.770 4.340 0.000 0.000 0.287 1341 L C -0.697 176.217 176.870 0.075 0.000 1.039 1341 L CA 0.087 54.973 54.840 0.076 0.000 0.829 1341 L CB 0.255 42.356 42.059 0.071 0.000 1.211 1341 L HN 0.532 nan 8.230 nan 0.000 0.427 1342 K N 3.858 124.299 120.400 0.067 0.000 2.507 1342 K HA 0.237 4.557 4.320 0.000 0.000 0.253 1342 K C 1.029 177.657 176.600 0.046 0.000 0.969 1342 K CA -0.382 55.942 56.287 0.062 0.000 0.908 1342 K CB 1.750 34.284 32.500 0.056 0.000 1.127 1342 K HN 0.520 nan 8.250 nan 0.000 0.437 1343 V N 0.216 120.159 119.914 0.047 0.000 2.453 1343 V HA -0.297 3.823 4.120 0.000 0.000 0.252 1343 V C 1.620 177.714 176.094 -0.001 0.000 1.068 1343 V CA 2.016 64.329 62.300 0.022 0.000 1.070 1343 V CB -0.561 31.265 31.823 0.005 0.000 0.664 1343 V HN 0.858 nan 8.190 nan 0.000 0.461 1344 N N 0.247 118.947 118.700 -0.000 0.000 2.461 1344 N HA -0.103 4.637 4.740 0.000 0.000 0.188 1344 N C 1.665 177.177 175.510 0.003 0.000 1.134 1344 N CA 1.019 54.063 53.050 -0.009 0.000 0.878 1344 N CB -0.233 38.245 38.487 -0.015 0.000 0.972 1344 N HN 0.699 nan 8.380 nan 0.000 0.456 1345 Q N -0.357 119.452 119.800 0.015 0.000 2.297 1345 Q HA 0.036 4.376 4.340 0.000 0.000 0.204 1345 Q C 1.142 177.154 176.000 0.020 0.000 0.962 1345 Q CA 0.848 56.665 55.803 0.022 0.000 0.879 1345 Q CB 0.213 28.971 28.738 0.033 0.000 0.947 1345 Q HN 0.346 nan 8.270 nan 0.000 0.462 1346 I N -2.173 118.404 120.570 0.013 0.000 3.718 1346 I HA 0.203 4.373 4.170 0.000 0.000 0.297 1346 I C 1.047 177.163 176.117 -0.002 0.000 1.220 1346 I CA 1.240 62.544 61.300 0.007 0.000 1.381 1346 I CB 1.079 39.083 38.000 0.006 0.000 1.238 1346 I HN 0.175 nan 8.210 nan 0.000 0.448 1347 G N 0.510 109.305 108.800 -0.008 0.000 2.184 1347 G HA2 -0.133 3.827 3.960 0.000 0.000 0.206 1347 G HA3 -0.133 3.827 3.960 0.000 0.000 0.206 1347 G C 0.282 175.167 174.900 -0.024 0.000 0.995 1347 G CA 0.254 45.345 45.100 -0.015 0.000 0.651 1347 G HN 0.939 nan 8.290 nan 0.000 0.511 1348 S N -1.554 114.131 115.700 -0.026 0.000 2.550 1348 S HA 0.660 5.130 4.470 0.000 0.000 0.270 1348 S C 0.803 175.386 174.600 -0.029 0.000 1.145 1348 S CA 0.141 58.321 58.200 -0.033 0.000 0.852 1348 S CB 1.890 65.078 63.200 -0.019 0.000 1.119 1348 S HN 0.834 nan 8.310 nan 0.000 0.465 1349 V N 2.015 121.904 119.914 -0.040 0.000 2.343 1349 V HA -0.157 3.963 4.120 0.000 0.000 0.247 1349 V C 2.728 178.831 176.094 0.016 0.000 1.051 1349 V CA 2.712 65.013 62.300 0.002 0.000 1.036 1349 V CB -1.327 30.510 31.823 0.023 0.000 0.654 1349 V HN 1.035 nan 8.190 nan 0.000 0.451 1350 T N -0.306 114.248 114.554 0.001 0.000 2.746 1350 T HA -0.217 4.133 4.350 0.000 0.000 0.267 1350 T C 1.797 176.492 174.700 -0.009 0.000 1.039 1350 T CA 1.826 63.923 62.100 -0.006 0.000 1.142 1350 T CB -0.245 68.617 68.868 -0.010 0.000 0.866 1350 T HN 0.619 nan 8.240 nan 0.000 0.444 1351 E N 0.898 121.093 120.200 -0.009 0.000 2.150 1351 E HA 0.025 4.375 4.350 0.000 0.000 0.193 1351 E C 2.511 179.107 176.600 -0.007 0.000 0.985 1351 E CA 0.798 57.190 56.400 -0.013 0.000 0.814 1351 E CB -0.175 29.517 29.700 -0.014 0.000 0.752 1351 E HN 0.464 nan 8.360 nan 0.000 0.466 1352 A N 1.214 124.038 122.820 0.006 0.000 1.898 1352 A HA -0.153 4.167 4.320 0.000 0.000 0.216 1352 A C 2.162 179.756 177.584 0.017 0.000 1.181 1352 A CA 0.976 53.025 52.037 0.020 0.000 0.620 1352 A CB -0.505 18.519 19.000 0.041 0.000 0.819 1352 A HN 0.134 nan 8.150 nan 0.000 0.442 1353 I N -0.562 120.016 120.570 0.014 0.000 2.315 1353 I HA -0.283 3.887 4.170 0.000 0.000 0.248 1353 I C 2.787 178.893 176.117 -0.018 0.000 1.117 1353 I CA 1.682 62.982 61.300 0.001 0.000 1.404 1353 I CB -0.349 37.647 38.000 -0.006 0.000 1.071 1353 I HN 0.552 nan 8.210 nan 0.000 0.419 1354 Q N 1.354 121.140 119.800 -0.023 0.000 2.084 1354 Q HA -0.231 4.109 4.340 0.000 0.000 0.202 1354 Q C 2.332 178.301 176.000 -0.050 0.000 0.978 1354 Q CA 1.933 57.712 55.803 -0.039 0.000 0.844 1354 Q CB -0.070 28.645 28.738 -0.039 0.000 0.898 1354 Q HN 0.530 nan 8.270 nan 0.000 0.426 1355 A N 0.462 123.259 122.820 -0.039 0.000 1.902 1355 A HA -0.224 4.096 4.320 0.000 0.000 0.217 1355 A C 2.414 179.968 177.584 -0.051 0.000 1.181 1355 A CA 1.465 53.473 52.037 -0.048 0.000 0.623 1355 A CB -1.442 17.547 19.000 -0.019 0.000 0.818 1355 A HN 0.698 nan 8.150 nan 0.000 0.443 1356 C N -0.076 119.211 119.300 -0.021 0.000 2.432 1356 C HA -0.080 4.380 4.460 0.000 0.000 0.277 1356 C C 2.683 177.651 174.990 -0.038 0.000 1.249 1356 C CA 1.549 60.561 59.018 -0.010 0.000 1.725 1356 C CB -1.054 26.690 27.740 0.007 0.000 2.028 1356 C HN 0.568 nan 8.230 nan 0.000 0.477 1357 K N 0.217 120.588 120.400 -0.048 0.000 2.097 1357 K HA -0.145 4.175 4.320 0.000 0.000 0.206 1357 K C 1.854 178.397 176.600 -0.095 0.000 1.049 1357 K CA 1.240 57.492 56.287 -0.059 0.000 0.933 1357 K CB -0.663 31.806 32.500 -0.052 0.000 0.717 1357 K HN 0.506 nan 8.250 nan 0.000 0.442 1358 L N 1.247 122.395 121.223 -0.125 0.000 2.046 1358 L HA -0.108 4.232 4.340 0.000 0.000 0.208 1358 L C 2.264 178.954 176.870 -0.301 0.000 1.077 1358 L CA 1.782 56.508 54.840 -0.191 0.000 0.747 1358 L CB -0.679 41.263 42.059 -0.195 0.000 0.896 1358 L HN 0.111 nan 8.230 nan 0.000 0.432 1359 A N -1.067 121.569 122.820 -0.307 0.000 1.877 1359 A HA -0.253 4.067 4.320 0.000 0.000 0.216 1359 A C 2.197 179.662 177.584 -0.198 0.000 1.186 1359 A CA 1.848 53.636 52.037 -0.415 0.000 0.620 1359 A CB -0.628 18.311 19.000 -0.103 0.000 0.822 1359 A HN 0.646 nan 8.150 nan 0.000 0.443 1360 Q N -0.806 118.948 119.800 -0.078 0.000 2.119 1360 Q HA -0.122 4.218 4.340 0.000 0.000 0.201 1360 Q C 2.069 178.041 176.000 -0.045 0.000 0.972 1360 Q CA 1.472 57.264 55.803 -0.019 0.000 0.847 1360 Q CB -0.161 28.570 28.738 -0.011 0.000 0.903 1360 Q HN 0.679 nan 8.270 nan 0.000 0.433 1361 E N 0.692 120.839 120.200 -0.088 0.000 2.204 1361 E HA -0.078 4.272 4.350 0.000 0.000 0.195 1361 E C 1.068 177.614 176.600 -0.090 0.000 0.990 1361 E CA 0.646 56.997 56.400 -0.082 0.000 0.821 1361 E CB -0.163 29.480 29.700 -0.094 0.000 0.750 1361 E HN 0.410 nan 8.360 nan 0.000 0.477 1362 N N -0.752 117.857 118.700 -0.152 0.000 2.276 1362 N HA 0.128 4.868 4.740 0.000 0.000 0.212 1362 N C 0.942 176.462 175.510 0.018 0.000 1.127 1362 N CA 0.687 53.657 53.050 -0.134 0.000 0.834 1362 N CB 1.323 39.612 38.487 -0.330 0.000 1.014 1362 N HN 0.412 nan 8.380 nan 0.000 0.491 1363 G N 0.371 109.206 108.800 0.057 0.000 2.143 1363 G HA2 -0.218 3.742 3.960 0.000 0.000 0.249 1363 G HA3 -0.218 3.742 3.960 0.000 0.000 0.249 1363 G C -0.381 174.685 174.900 0.277 0.000 0.981 1363 G CA -0.270 44.913 45.100 0.137 0.000 0.665 1363 G HN 0.209 nan 8.290 nan 0.000 0.528 1364 W N 0.593 121.884 121.300 -0.014 0.000 2.303 1364 W HA 0.669 5.329 4.660 0.000 0.000 0.334 1364 W C 1.065 177.572 176.519 -0.020 0.000 1.197 1364 W CA -0.613 56.726 57.345 -0.010 0.000 1.262 1364 W CB 0.326 29.786 29.460 0.001 0.000 1.153 1364 W HN 0.434 nan 8.180 nan 0.000 0.596 1365 G N 0.304 109.215 108.800 0.184 0.000 2.634 1365 G HA2 0.461 4.422 3.960 0.000 0.000 0.255 1365 G HA3 0.461 4.422 3.960 0.000 0.000 0.255 1365 G C -1.377 173.623 174.900 0.166 0.000 1.205 1365 G CA -0.438 44.724 45.100 0.102 0.000 0.884 1365 G HN 0.284 nan 8.290 nan 0.000 0.549 1366 V N 1.245 121.227 119.914 0.112 0.000 2.623 1366 V HA 0.456 4.576 4.120 0.000 0.000 0.304 1366 V C -0.207 175.939 176.094 0.087 0.000 1.054 1366 V CA -0.555 61.815 62.300 0.115 0.000 0.882 1366 V CB 1.808 33.688 31.823 0.094 0.000 1.002 1366 V HN 0.835 nan 8.190 nan 0.000 0.424 1367 M N 5.421 125.074 119.600 0.088 0.000 2.078 1367 M HA 0.586 5.066 4.480 0.000 0.000 0.320 1367 M C -1.090 175.246 176.300 0.060 0.000 0.969 1367 M CA -0.462 54.881 55.300 0.071 0.000 0.929 1367 M CB 1.449 34.095 32.600 0.076 0.000 1.504 1367 M HN 0.482 nan 8.290 nan 0.000 0.419 1368 V N 3.523 123.462 119.914 0.041 0.000 2.811 1368 V HA 0.300 4.421 4.120 0.000 0.000 0.302 1368 V C 0.194 176.305 176.094 0.029 0.000 1.063 1368 V CA 0.087 62.409 62.300 0.036 0.000 1.088 1368 V CB 1.383 33.215 31.823 0.015 0.000 0.982 1368 V HN 0.911 nan 8.190 nan 0.000 0.485 1369 S N 1.847 117.583 115.700 0.060 0.000 2.546 1369 S HA 0.507 4.977 4.470 0.000 0.000 0.274 1369 S C -0.456 174.241 174.600 0.162 0.000 1.121 1369 S CA -0.841 57.421 58.200 0.104 0.000 0.887 1369 S CB 1.020 64.313 63.200 0.155 0.000 1.094 1369 S HN 0.992 nan 8.310 nan 0.000 0.474 1370 H N 1.951 121.016 119.070 -0.008 0.000 2.430 1370 H HA 0.628 5.184 4.556 0.000 0.000 0.359 1370 H C -0.001 175.328 175.328 0.003 0.000 1.672 1370 H CA -0.992 55.048 56.048 -0.014 0.000 1.445 1370 H CB 0.389 30.127 29.762 -0.039 0.000 1.642 1370 H HN 0.290 nan 8.280 nan 0.000 0.593 1371 R N -0.250 120.222 120.500 -0.047 0.000 2.856 1371 R HA 0.120 4.460 4.340 0.000 0.000 0.258 1371 R C 1.212 177.251 176.300 -0.435 0.000 1.066 1371 R CA -0.274 55.699 56.100 -0.211 0.000 1.045 1371 R CB 1.295 31.539 30.300 -0.094 0.000 1.178 1371 R HN 0.907 nan 8.270 nan 0.000 0.499 1372 S N -0.882 114.585 115.700 -0.388 0.000 2.447 1372 S HA -0.020 4.450 4.470 0.000 0.000 0.233 1372 S C 1.049 175.473 174.600 -0.293 0.000 1.006 1372 S CA 0.544 58.447 58.200 -0.495 0.000 0.957 1372 S CB -0.056 62.680 63.200 -0.773 0.000 0.773 1372 S HN 0.681 nan 8.310 nan 0.000 0.507 1373 G N 1.574 110.264 108.800 -0.185 0.000 2.475 1373 G HA2 0.534 4.494 3.960 0.000 0.000 0.322 1373 G HA3 0.534 4.494 3.960 0.000 0.000 0.322 1373 G C -0.451 174.398 174.900 -0.085 0.000 1.044 1373 G CA -0.412 44.622 45.100 -0.111 0.000 1.047 1373 G HN 0.125 nan 8.290 nan 0.000 0.436 1374 E N 0.437 120.599 120.200 -0.064 0.000 2.334 1374 E HA 0.670 5.020 4.350 0.000 0.000 0.256 1374 E C 0.373 176.962 176.600 -0.019 0.000 0.958 1374 E CA -0.430 55.953 56.400 -0.029 0.000 0.821 1374 E CB 2.206 31.907 29.700 0.000 0.000 1.269 1374 E HN 0.560 nan 8.360 nan 0.000 0.413 1375 T N -2.802 111.749 114.554 -0.005 0.000 2.773 1375 T HA 0.224 4.574 4.350 0.000 0.000 0.278 1375 T C 0.806 175.512 174.700 0.009 0.000 1.011 1375 T CA -0.631 61.467 62.100 -0.002 0.000 1.014 1375 T CB 0.897 69.761 68.868 -0.006 0.000 1.293 1375 T HN 0.403 nan 8.240 nan 0.000 0.554 1376 E N 0.296 120.503 120.200 0.011 0.000 2.515 1376 E HA -0.082 4.268 4.350 0.000 0.000 0.201 1376 E C 0.179 176.793 176.600 0.024 0.000 1.071 1376 E CA 0.134 56.545 56.400 0.017 0.000 0.880 1376 E CB -0.397 29.314 29.700 0.017 0.000 0.828 1376 E HN 0.732 nan 8.360 nan 0.000 0.540 1377 D N 1.950 122.368 120.400 0.029 0.000 2.443 1377 D HA -0.031 4.609 4.640 0.000 0.000 0.239 1377 D C 0.289 176.625 176.300 0.061 0.000 1.136 1377 D CA 0.887 54.918 54.000 0.053 0.000 0.879 1377 D CB 1.012 41.844 40.800 0.053 0.000 1.195 1377 D HN 0.146 nan 8.370 nan 0.000 0.443 1378 T N 0.963 115.565 114.554 0.081 0.000 3.182 1378 T HA 0.036 4.386 4.350 0.000 0.000 0.277 1378 T C 1.505 176.251 174.700 0.078 0.000 1.013 1378 T CA -0.598 61.532 62.100 0.050 0.000 0.900 1378 T CB -0.479 68.400 68.868 0.018 0.000 1.098 1378 T HN 0.386 nan 8.240 nan 0.000 0.543 1379 F N 3.292 123.240 119.950 -0.002 0.000 2.115 1379 F HA -0.117 4.410 4.527 0.000 0.000 0.300 1379 F C 1.824 177.620 175.800 -0.006 0.000 1.092 1379 F CA 2.006 60.011 58.000 0.007 0.000 1.245 1379 F CB -0.228 38.779 39.000 0.011 0.000 0.995 1379 F HN 0.379 nan 8.300 nan 0.000 0.481 1380 I N -1.512 119.145 120.570 0.145 0.000 2.756 1380 I HA -0.045 4.125 4.170 0.000 0.000 0.262 1380 I C 2.239 178.296 176.117 -0.099 0.000 1.225 1380 I CA 1.127 62.452 61.300 0.043 0.000 1.472 1380 I CB -1.197 36.846 38.000 0.071 0.000 1.094 1380 I HN 0.126 nan 8.210 nan 0.000 0.454 1381 A N 1.969 124.715 122.820 -0.124 0.000 1.873 1381 A HA -0.207 4.113 4.320 0.000 0.000 0.215 1381 A C 1.798 179.269 177.584 -0.189 0.000 1.186 1381 A CA 2.230 54.165 52.037 -0.170 0.000 0.616 1381 A CB -0.846 18.058 19.000 -0.160 0.000 0.823 1381 A HN 0.482 nan 8.150 nan 0.000 0.442 1382 D N -0.698 119.580 120.400 -0.203 0.000 2.144 1382 D HA -0.093 4.547 4.640 0.000 0.000 0.200 1382 D C 1.769 177.937 176.300 -0.221 0.000 0.978 1382 D CA 0.961 54.860 54.000 -0.169 0.000 0.833 1382 D CB -0.145 40.539 40.800 -0.193 0.000 0.961 1382 D HN 0.321 nan 8.370 nan 0.000 0.470 1383 L N 0.341 121.354 121.223 -0.349 0.000 2.012 1383 L HA -0.113 4.227 4.340 0.000 0.000 0.210 1383 L C 2.149 178.953 176.870 -0.111 0.000 1.073 1383 L CA 1.362 56.055 54.840 -0.245 0.000 0.748 1383 L CB -0.624 41.337 42.059 -0.163 0.000 0.891 1383 L HN 0.024 nan 8.230 nan 0.000 0.431 1384 V N -1.372 118.482 119.914 -0.101 0.000 2.515 1384 V HA -0.197 3.923 4.120 0.000 0.000 0.250 1384 V C 2.326 178.376 176.094 -0.073 0.000 1.058 1384 V CA 1.747 64.006 62.300 -0.069 0.000 1.064 1384 V CB 0.079 31.859 31.823 -0.070 0.000 0.675 1384 V HN 0.337 nan 8.190 nan 0.000 0.461 1385 V N 0.583 120.434 119.914 -0.105 0.000 2.379 1385 V HA -0.037 4.084 4.120 0.000 0.000 0.245 1385 V C 2.702 178.779 176.094 -0.029 0.000 1.044 1385 V CA 1.919 64.159 62.300 -0.100 0.000 1.036 1385 V CB -1.225 30.475 31.823 -0.204 0.000 0.664 1385 V HN 0.608 nan 8.190 nan 0.000 0.453 1386 G N -0.348 108.450 108.800 -0.002 0.000 2.432 1386 G HA2 -0.163 3.797 3.960 0.000 0.000 0.219 1386 G HA3 -0.163 3.797 3.960 0.000 0.000 0.219 1386 G C 1.469 176.362 174.900 -0.011 0.000 1.135 1386 G CA 0.549 45.659 45.100 0.016 0.000 0.767 1386 G HN 0.483 nan 8.290 nan 0.000 0.550 1387 L N -0.382 120.828 121.223 -0.023 0.000 2.554 1387 L HA 0.149 4.489 4.340 0.000 0.000 0.226 1387 L C 1.077 177.941 176.870 -0.010 0.000 1.137 1387 L CA -0.467 54.363 54.840 -0.016 0.000 0.863 1387 L CB -0.114 41.940 42.059 -0.010 0.000 0.985 1387 L HN 0.192 nan 8.230 nan 0.000 0.451 1388 C N 0.847 120.140 119.300 -0.013 0.000 4.365 1388 C HA -0.183 4.277 4.460 0.000 0.000 0.299 1388 C C 2.208 177.195 174.990 -0.006 0.000 1.409 1388 C CA 0.961 59.973 59.018 -0.010 0.000 2.007 1388 C CB -2.682 25.055 27.740 -0.005 0.000 1.264 1388 C HN 0.734 nan 8.230 nan 0.000 0.777 1389 T N -3.219 111.333 114.554 -0.003 0.000 3.067 1389 T HA 0.358 4.708 4.350 0.000 0.000 0.257 1389 T C 1.772 176.482 174.700 0.017 0.000 1.105 1389 T CA 1.870 63.977 62.100 0.012 0.000 1.104 1389 T CB 0.225 69.109 68.868 0.026 0.000 0.925 1389 T HN 2.193 nan 8.240 nan 0.000 0.498 1390 G N 1.093 109.897 108.800 0.006 0.000 2.225 1390 G HA2 -0.200 3.760 3.960 0.000 0.000 0.254 1390 G HA3 -0.200 3.760 3.960 0.000 0.000 0.254 1390 G C -0.156 174.775 174.900 0.051 0.000 0.988 1390 G CA 0.195 45.301 45.100 0.011 0.000 0.625 1390 G HN 0.895 nan 8.290 nan 0.000 0.527 1391 Q N -0.742 119.094 119.800 0.059 0.000 2.320 1391 Q HA 0.767 5.107 4.340 0.000 0.000 0.272 1391 Q C -1.088 174.932 176.000 0.032 0.000 1.023 1391 Q CA -0.870 54.975 55.803 0.070 0.000 0.855 1391 Q CB 2.751 31.578 28.738 0.149 0.000 1.367 1391 Q HN 0.561 nan 8.270 nan 0.000 0.406 1392 I N 1.566 122.140 120.570 0.007 0.000 2.656 1392 I HA 0.462 4.632 4.170 0.000 0.000 0.292 1392 I C -1.745 174.328 176.117 -0.072 0.000 1.144 1392 I CA -0.769 60.515 61.300 -0.026 0.000 1.038 1392 I CB 2.104 40.082 38.000 -0.037 0.000 1.244 1392 I HN 0.704 nan 8.210 nan 0.000 0.420 1393 K N 4.101 124.438 120.400 -0.106 0.000 2.358 1393 K HA 0.508 4.829 4.320 0.000 0.000 0.260 1393 K C -0.733 175.563 176.600 -0.507 0.000 0.956 1393 K CA -0.561 55.614 56.287 -0.188 0.000 0.834 1393 K CB 1.914 34.366 32.500 -0.080 0.000 1.102 1393 K HN 0.493 nan 8.250 nan 0.000 0.431 1394 T N 1.720 115.911 114.554 -0.604 0.000 3.714 1394 T HA 0.374 4.724 4.350 0.000 0.000 0.309 1394 T C -0.150 174.220 174.700 -0.551 0.000 0.958 1394 T CA 0.354 61.845 62.100 -1.015 0.000 1.010 1394 T CB -0.339 68.129 68.868 -0.666 0.000 1.202 1394 T HN 1.171 nan 8.240 nan 0.000 0.476 1395 G N 1.033 109.710 108.800 -0.206 0.000 2.479 1395 G HA2 0.410 4.370 3.960 0.000 0.000 0.686 1395 G HA3 0.410 4.370 3.960 0.000 0.000 0.686 1395 G C -0.078 175.029 174.900 0.345 0.000 1.295 1395 G CA -0.364 44.881 45.100 0.242 0.000 0.922 1395 G HN 0.858 nan 8.290 nan 0.000 0.582 1396 A N 0.477 123.406 122.820 0.181 0.000 2.409 1396 A HA 0.652 4.973 4.320 0.000 0.000 0.246 1396 A C -1.142 176.385 177.584 -0.096 0.000 1.099 1396 A CA 0.030 52.049 52.037 -0.031 0.000 0.789 1396 A CB 0.015 18.858 19.000 -0.262 0.000 1.053 1396 A HN 0.848 nan 8.150 nan 0.000 0.503 1397 P HA 0.257 nan 4.420 nan 0.000 0.218 1397 P C -0.742 176.265 177.300 -0.488 0.000 1.793 1397 P CA 0.165 62.973 63.100 -0.487 0.000 0.941 1397 P CB -0.572 30.642 31.700 -0.811 0.000 1.919 1398 C N 2.275 121.387 119.300 -0.314 0.000 3.006 1398 C HA 0.582 5.042 4.460 0.000 0.000 0.359 1398 C C -1.058 173.899 174.990 -0.055 0.000 1.103 1398 C CA -0.264 58.632 59.018 -0.202 0.000 1.286 1398 C CB 0.464 28.008 27.740 -0.327 0.000 1.694 1398 C HN 0.587 nan 8.230 nan 0.000 0.511 1399 R N 3.960 124.460 120.500 -0.001 0.000 1.124 1399 R HA -0.091 4.249 4.340 0.000 0.000 0.425 1399 R C 0.528 176.850 176.300 0.037 0.000 1.336 1399 R CA 0.634 56.748 56.100 0.023 0.000 0.984 1399 R CB -1.372 28.940 30.300 0.020 0.000 3.079 1399 R HN 0.886 nan 8.270 nan 0.000 0.509 1400 S N 1.737 117.459 115.700 0.037 0.000 2.561 1400 S HA -0.108 4.362 4.470 0.000 0.000 0.225 1400 S C 1.626 176.247 174.600 0.035 0.000 0.977 1400 S CA 0.929 59.155 58.200 0.043 0.000 0.926 1400 S CB -0.009 63.215 63.200 0.039 0.000 0.769 1400 S HN 0.702 nan 8.310 nan 0.000 0.533 1401 E N 1.819 122.036 120.200 0.028 0.000 2.333 1401 E HA -0.150 4.200 4.350 0.000 0.000 0.198 1401 E C 1.370 177.980 176.600 0.017 0.000 1.007 1401 E CA 0.715 57.128 56.400 0.020 0.000 0.845 1401 E CB -0.078 29.631 29.700 0.016 0.000 0.766 1401 E HN 0.349 nan 8.360 nan 0.000 0.507 1402 R N 0.302 120.823 120.500 0.034 0.000 2.062 1402 R HA 0.161 4.501 4.340 0.000 0.000 0.218 1402 R C 2.485 178.795 176.300 0.018 0.000 1.161 1402 R CA 0.218 56.329 56.100 0.017 0.000 0.994 1402 R CB -0.920 29.460 30.300 0.133 0.000 0.888 1402 R HN 0.172 nan 8.270 nan 0.000 0.442 1403 L N 1.558 122.866 121.223 0.143 0.000 2.187 1403 L HA -0.016 4.324 4.340 0.000 0.000 0.213 1403 L C 2.412 179.351 176.870 0.114 0.000 1.100 1403 L CA 1.663 56.629 54.840 0.211 0.000 0.765 1403 L CB -1.659 40.488 42.059 0.146 0.000 0.904 1403 L HN 0.152 nan 8.230 nan 0.000 0.437 1404 A N -0.081 122.765 122.820 0.044 0.000 1.940 1404 A HA -0.245 4.075 4.320 0.000 0.000 0.219 1404 A C 2.375 179.954 177.584 -0.008 0.000 1.176 1404 A CA 1.790 53.841 52.037 0.024 0.000 0.631 1404 A CB -0.304 18.705 19.000 0.014 0.000 0.814 1404 A HN 0.253 nan 8.150 nan 0.000 0.446 1405 K N -1.155 119.190 120.400 -0.092 0.000 2.062 1405 K HA -0.013 4.307 4.320 0.000 0.000 0.205 1405 K C 1.680 178.207 176.600 -0.122 0.000 1.051 1405 K CA 1.373 57.557 56.287 -0.171 0.000 0.941 1405 K CB -0.572 31.725 32.500 -0.338 0.000 0.719 1405 K HN 0.572 nan 8.250 nan 0.000 0.440 1406 Y N 1.447 121.794 120.300 0.078 0.000 2.181 1406 Y HA -0.139 4.411 4.550 0.000 0.000 0.288 1406 Y C 1.848 177.847 175.900 0.166 0.000 1.146 1406 Y CA 0.978 59.192 58.100 0.190 0.000 1.164 1406 Y CB -0.563 38.051 38.460 0.257 0.000 0.982 1406 Y HN 0.123 nan 8.280 nan 0.000 0.515 1407 N N -0.040 118.802 118.700 0.238 0.000 2.188 1407 N HA -0.177 4.563 4.740 0.000 0.000 0.184 1407 N C 1.886 177.441 175.510 0.075 0.000 1.018 1407 N CA 1.288 54.428 53.050 0.149 0.000 0.858 1407 N CB -0.465 38.086 38.487 0.106 0.000 0.989 1407 N HN 0.359 nan 8.380 nan 0.000 0.426 1408 Q N 0.954 120.770 119.800 0.028 0.000 2.124 1408 Q HA 0.056 4.396 4.340 0.000 0.000 0.202 1408 Q C 1.999 177.936 176.000 -0.104 0.000 0.977 1408 Q CA 1.052 56.839 55.803 -0.027 0.000 0.850 1408 Q CB -0.338 28.378 28.738 -0.037 0.000 0.901 1408 Q HN 0.360 nan 8.270 nan 0.000 0.429 1409 L N -0.597 120.518 121.223 -0.179 0.000 2.046 1409 L HA -0.179 4.161 4.340 0.000 0.000 0.208 1409 L C 2.478 179.151 176.870 -0.329 0.000 1.077 1409 L CA 1.273 55.838 54.840 -0.459 0.000 0.747 1409 L CB -0.407 41.063 42.059 -0.981 0.000 0.896 1409 L HN 0.363 nan 8.230 nan 0.000 0.432 1410 M N -0.969 118.619 119.600 -0.019 0.000 2.159 1410 M HA -0.214 4.266 4.480 0.000 0.000 0.263 1410 M C 2.423 178.731 176.300 0.013 0.000 1.063 1410 M CA 1.688 57.052 55.300 0.107 0.000 1.110 1410 M CB -0.473 32.234 32.600 0.178 0.000 1.374 1410 M HN 0.192 nan 8.290 nan 0.000 0.411 1411 R N 0.339 120.833 120.500 -0.010 0.000 2.092 1411 R HA -0.045 4.295 4.340 0.000 0.000 0.231 1411 R C 2.063 178.332 176.300 -0.051 0.000 1.119 1411 R CA 1.216 57.309 56.100 -0.011 0.000 0.970 1411 R CB -0.438 29.865 30.300 0.006 0.000 0.864 1411 R HN 0.386 nan 8.270 nan 0.000 0.440 1412 I N 0.729 121.217 120.570 -0.138 0.000 2.252 1412 I HA -0.248 3.922 4.170 0.000 0.000 0.245 1412 I C 2.617 178.591 176.117 -0.238 0.000 1.102 1412 I CA 1.221 62.356 61.300 -0.273 0.000 1.385 1412 I CB -0.278 37.421 38.000 -0.502 0.000 1.064 1412 I HN 0.259 nan 8.210 nan 0.000 0.414 1413 E N 1.233 121.329 120.200 -0.174 0.000 2.058 1413 E HA -0.318 4.033 4.350 0.000 0.000 0.194 1413 E C 2.134 178.711 176.600 -0.038 0.000 0.997 1413 E CA 1.636 57.984 56.400 -0.087 0.000 0.801 1413 E CB -0.068 29.626 29.700 -0.009 0.000 0.746 1413 E HN 0.469 nan 8.360 nan 0.000 0.450 1414 E N 0.294 120.483 120.200 -0.020 0.000 2.077 1414 E HA -0.251 4.099 4.350 0.000 0.000 0.193 1414 E C 2.109 178.714 176.600 0.009 0.000 0.989 1414 E CA 1.057 57.459 56.400 0.003 0.000 0.800 1414 E CB -0.035 29.672 29.700 0.012 0.000 0.746 1414 E HN 0.269 nan 8.360 nan 0.000 0.452 1415 E N 0.390 120.595 120.200 0.008 0.000 2.110 1415 E HA -0.168 4.182 4.350 0.000 0.000 0.193 1415 E C 2.231 178.865 176.600 0.057 0.000 0.988 1415 E CA 0.764 57.194 56.400 0.050 0.000 0.804 1415 E CB -0.038 29.725 29.700 0.106 0.000 0.745 1415 E HN 0.381 nan 8.360 nan 0.000 0.458 1416 L N -0.299 120.934 121.223 0.017 0.000 2.291 1416 L HA -0.038 4.302 4.340 0.000 0.000 0.214 1416 L C 1.653 178.541 176.870 0.030 0.000 1.120 1416 L CA 0.489 55.346 54.840 0.029 0.000 0.799 1416 L CB -0.694 41.352 42.059 -0.022 0.000 0.925 1416 L HN 0.250 nan 8.230 nan 0.000 0.446 1417 G N 0.670 109.483 108.800 0.022 0.000 2.596 1417 G HA2 -0.521 3.439 3.960 0.000 0.000 0.295 1417 G HA3 -0.521 3.439 3.960 0.000 0.000 0.295 1417 G C 0.603 175.517 174.900 0.024 0.000 1.240 1417 G CA 0.549 45.663 45.100 0.024 0.000 0.985 1417 G HN 0.337 nan 8.290 nan 0.000 0.555 1418 D N 0.234 120.649 120.400 0.025 0.000 2.392 1418 D HA 0.379 5.019 4.640 0.000 0.000 0.228 1418 D C 2.254 178.572 176.300 0.030 0.000 1.003 1418 D CA 2.511 56.527 54.000 0.026 0.000 0.917 1418 D CB -0.727 40.087 40.800 0.024 0.000 0.890 1418 D HN 1.462 nan 8.370 nan 0.000 0.532 1419 E N -0.663 119.556 120.200 0.032 0.000 2.474 1419 E HA 0.596 4.947 4.350 0.000 0.000 0.194 1419 E C 1.352 177.973 176.600 0.034 0.000 1.041 1419 E CA 0.429 56.850 56.400 0.034 0.000 0.874 1419 E CB -0.191 29.532 29.700 0.039 0.000 0.914 1419 E HN 0.958 nan 8.360 nan 0.000 0.498 1420 A N 0.533 123.371 122.820 0.031 0.000 2.492 1420 A HA 0.596 4.916 4.320 0.000 0.000 0.254 1420 A C 0.735 178.356 177.584 0.062 0.000 1.091 1420 A CA 0.552 52.608 52.037 0.033 0.000 0.768 1420 A CB -0.274 18.742 19.000 0.026 0.000 1.028 1420 A HN 0.859 nan 8.150 nan 0.000 0.498 1421 R N 1.876 122.421 120.500 0.075 0.000 2.562 1421 R HA 0.681 5.022 4.340 0.000 0.000 0.298 1421 R C -1.088 175.319 176.300 0.179 0.000 0.961 1421 R CA -0.558 55.606 56.100 0.107 0.000 0.881 1421 R CB 0.975 31.315 30.300 0.067 0.000 1.159 1421 R HN 1.176 nan 8.270 nan 0.000 0.450 1422 F N 2.178 122.150 119.950 0.038 0.000 2.436 1422 F HA 0.587 5.114 4.527 0.000 0.000 0.340 1422 F C 1.140 176.972 175.800 0.054 0.000 1.113 1422 F CA -0.837 57.196 58.000 0.055 0.000 1.022 1422 F CB 2.129 41.161 39.000 0.054 0.000 1.128 1422 F HN 0.708 nan 8.300 nan 0.000 0.466 1423 A N 4.694 127.164 122.820 -0.583 0.000 1.969 1423 A HA 0.274 4.594 4.320 0.000 0.000 0.218 1423 A C 1.919 179.226 177.584 -0.462 0.000 1.169 1423 A CA 1.345 53.142 52.037 -0.400 0.000 0.635 1423 A CB -1.547 17.293 19.000 -0.266 0.000 0.810 1423 A HN 1.673 nan 8.150 nan 0.000 0.445 1424 G N -0.695 107.485 108.800 -1.033 0.000 2.651 1424 G HA2 -0.436 3.524 3.960 0.000 0.000 0.315 1424 G HA3 -0.436 3.524 3.960 0.000 0.000 0.315 1424 G C 0.649 175.446 174.900 -0.172 0.000 1.258 1424 G CA 1.180 45.968 45.100 -0.521 0.000 1.002 1424 G HN 0.719 nan 8.290 nan 0.000 0.551 1425 H N 1.206 120.315 119.070 0.065 0.000 2.546 1425 H HA 0.114 4.670 4.556 0.000 0.000 0.277 1425 H C 1.920 177.332 175.328 0.141 0.000 1.004 1425 H CA 0.850 56.995 56.048 0.162 0.000 1.231 1425 H CB 0.109 29.934 29.762 0.105 0.000 1.382 1425 H HN 0.246 nan 8.280 nan 0.000 0.580 1426 N N 0.775 119.559 118.700 0.140 0.000 2.295 1426 N HA -0.030 4.710 4.740 0.000 0.000 0.221 1426 N C 0.720 176.207 175.510 -0.039 0.000 1.129 1426 N CA -0.051 53.009 53.050 0.018 0.000 0.836 1426 N CB 0.094 38.581 38.487 0.001 0.000 1.040 1426 N HN 0.441 nan 8.380 nan 0.000 0.494 1427 F N 0.841 120.732 119.950 -0.099 0.000 2.202 1427 F HA -0.047 4.481 4.527 0.000 0.000 0.301 1427 F C 1.872 177.640 175.800 -0.054 0.000 1.082 1427 F CA 0.936 58.869 58.000 -0.112 0.000 1.313 1427 F CB -0.314 38.606 39.000 -0.133 0.000 1.024 1427 F HN -0.116 nan 8.300 nan 0.000 0.495 1428 R N -0.021 119.983 120.500 -0.826 0.000 2.240 1428 R HA 0.011 4.351 4.340 0.000 0.000 0.203 1428 R C 0.197 176.356 176.300 -0.234 0.000 1.011 1428 R CA 0.950 56.716 56.100 -0.556 0.000 1.007 1428 R CB -0.365 29.534 30.300 -0.668 0.000 0.911 1428 R HN 0.276 nan 8.270 nan 0.000 0.468 1429 N N -0.143 118.448 118.700 -0.182 0.000 2.673 1429 N HA 0.092 4.832 4.740 0.000 0.000 0.265 1429 N C -2.326 173.148 175.510 -0.060 0.000 1.709 1429 N CA -1.429 51.567 53.050 -0.091 0.000 0.792 1429 N CB 1.019 39.453 38.487 -0.087 0.000 1.286 1429 N HN -0.139 nan 8.380 nan 0.000 0.506 1430 P HA 0.071 nan 4.420 nan 0.000 0.241 1430 P C 1.208 178.497 177.300 -0.017 0.000 1.191 1430 P CA 0.516 63.597 63.100 -0.031 0.000 0.771 1430 P CB 0.165 31.848 31.700 -0.029 0.000 0.929 1431 S N 0.617 116.309 115.700 -0.014 0.000 2.419 1431 S HA -0.014 4.456 4.470 0.000 0.000 0.233 1431 S C 1.323 175.920 174.600 -0.004 0.000 1.016 1431 S CA 1.230 59.426 58.200 -0.007 0.000 0.974 1431 S CB -1.263 61.934 63.200 -0.006 0.000 0.786 1431 S HN 0.166 nan 8.310 nan 0.000 0.492 1432 V N 0.000 119.910 119.914 -0.007 0.000 2.409 1432 V HA 0.000 4.120 4.120 0.000 0.000 0.244 1432 V CA 0.000 62.299 62.300 -0.002 0.000 1.235 1432 V CB 0.000 31.820 31.823 -0.005 0.000 1.184 1432 V HN 0.000 nan 8.190 nan 0.000 0.556