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 1ky4_1_B DATA FIRST_RESID 1004 DATA SEQUENCE LPYKVADIGL AAWGRKALDI AENEMPGLMR MREMYSASKP LKGARIAGCL DATA SEQUENCE HMTVETAVLI ETLVALGAEV RWSSCNIFST QDHAAAAIAK AGIPVFAWKG DATA SEQUENCE ETDEEYLWCI EQTLHFKDGP LNMILDDGGD LTNLIHTKHP QLLSGIRGIS DATA SEQUENCE EETTTGVHNL YKMMANGILK VPAINVNDSV TKSKFDNLYG CRESLIDGIK DATA SEQUENCE RATDVMIAGK VAVVAGYGDV GKGCAQALRG FGARVIITEI DPINALQAAM DATA SEQUENCE EGYEVTTMDE ACKEGNIFVT TTGCVDIILG RHFEQMKDDA IVCNIGHFDV DATA SEQUENCE EIDVKWLNEN AVEKVNIKPQ VDRYLLKNGH RIILLAEGRL VNLGCAMGHP DATA SEQUENCE SFVMSNSFTN QVMAQIELWT HPDKYPVGVH FLPKKLDEAV AEAHLGKLNV DATA SEQUENCE KLTKLTEKQA QYLGMPINGP FKPDHYRY 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 1004 L HA 0.000 nan 4.340 nan 0.000 0.249 1004 L C 0.000 176.918 176.870 0.080 0.000 1.165 1004 L CA 0.000 54.907 54.840 0.112 0.000 0.813 1004 L CB 0.000 42.248 42.059 0.316 0.000 0.961 1005 P HA 0.066 nan 4.420 nan 0.000 0.222 1005 P C -0.815 176.359 177.300 -0.210 0.000 1.157 1005 P CA 0.988 63.965 63.100 -0.205 0.000 0.816 1005 P CB 0.415 31.872 31.700 -0.405 0.000 0.813 1006 Y N -4.147 116.089 120.300 -0.108 0.000 2.814 1006 Y HA 0.692 5.239 4.550 -0.006 0.000 0.348 1006 Y C -1.232 174.643 175.900 -0.041 0.000 1.245 1006 Y CA -2.054 55.766 58.100 -0.467 0.000 1.086 1006 Y CB 0.075 38.309 38.460 -0.376 0.000 1.373 1006 Y HN -0.430 nan 8.280 nan 0.000 0.451 1007 K N 2.011 122.650 120.400 0.397 0.000 2.705 1007 K HA 0.647 4.964 4.320 -0.006 0.000 0.238 1007 K C -1.903 175.045 176.600 0.580 0.000 0.996 1007 K CA -0.295 56.367 56.287 0.625 0.000 1.007 1007 K CB 1.779 34.923 32.500 1.073 0.000 1.206 1007 K HN 0.681 nan 8.250 nan 0.000 0.488 1008 V N 1.818 121.953 119.914 0.369 0.000 2.919 1008 V HA 0.408 4.525 4.120 -0.006 0.000 0.316 1008 V C 1.334 177.527 176.094 0.164 0.000 1.077 1008 V CA -0.340 62.118 62.300 0.264 0.000 0.977 1008 V CB 1.791 33.633 31.823 0.031 0.000 1.039 1008 V HN 0.764 nan 8.190 nan 0.000 0.441 1009 A N 1.791 124.727 122.820 0.193 0.000 1.858 1009 A HA -0.047 4.270 4.320 -0.006 0.000 0.216 1009 A C 0.822 178.445 177.584 0.064 0.000 1.190 1009 A CA 2.136 54.227 52.037 0.090 0.000 0.617 1009 A CB -0.172 18.936 19.000 0.179 0.000 0.827 1009 A HN 0.850 nan 8.150 nan 0.000 0.443 1010 D N -2.310 118.145 120.400 0.092 0.000 2.478 1010 D HA 0.294 4.931 4.640 -0.006 0.000 0.240 1010 D C -0.149 176.195 176.300 0.072 0.000 1.364 1010 D CA -0.556 53.493 54.000 0.082 0.000 0.987 1010 D CB 0.656 41.517 40.800 0.101 0.000 1.328 1010 D HN 0.009 nan 8.370 nan 0.000 0.584 1011 I N 2.812 123.412 120.570 0.049 0.000 3.176 1011 I HA 0.192 4.359 4.170 -0.006 0.000 0.275 1011 I C 1.866 178.008 176.117 0.042 0.000 1.298 1011 I CA 0.881 62.186 61.300 0.008 0.000 1.445 1011 I CB 0.233 38.232 38.000 -0.002 0.000 1.075 1011 I HN 0.555 nan 8.210 nan 0.000 0.482 1012 G N -0.039 108.803 108.800 0.070 0.000 2.679 1012 G HA2 -0.105 3.852 3.960 -0.006 0.000 0.212 1012 G HA3 -0.105 3.852 3.960 -0.006 0.000 0.212 1012 G C 1.259 176.233 174.900 0.123 0.000 1.137 1012 G CA 0.130 45.278 45.100 0.080 0.000 0.787 1012 G HN 0.301 nan 8.290 nan 0.000 0.534 1013 L N 0.768 122.086 121.223 0.157 0.000 2.446 1013 L HA 0.341 4.677 4.340 -0.006 0.000 0.219 1013 L C 2.937 179.940 176.870 0.221 0.000 1.116 1013 L CA 0.548 55.556 54.840 0.281 0.000 0.844 1013 L CB -0.726 41.521 42.059 0.312 0.000 0.970 1013 L HN 0.239 nan 8.230 nan 0.000 0.457 1014 A N 0.335 123.212 122.820 0.095 0.000 1.896 1014 A HA -0.316 4.001 4.320 -0.006 0.000 0.220 1014 A C 2.507 180.127 177.584 0.060 0.000 1.206 1014 A CA 2.320 54.373 52.037 0.027 0.000 0.647 1014 A CB -0.906 18.087 19.000 -0.012 0.000 0.828 1014 A HN 0.391 nan 8.150 nan 0.000 0.455 1015 A N -2.258 120.626 122.820 0.107 0.000 2.024 1015 A HA -0.151 4.165 4.320 -0.006 0.000 0.220 1015 A C 1.916 179.625 177.584 0.208 0.000 1.164 1015 A CA 1.755 53.865 52.037 0.120 0.000 0.643 1015 A CB -0.737 18.328 19.000 0.108 0.000 0.806 1015 A HN 1.017 nan 8.150 nan 0.000 0.451 1016 W N 0.682 122.019 121.300 0.061 0.000 2.576 1016 W HA 0.178 4.834 4.660 -0.006 0.000 0.270 1016 W C 1.890 178.522 176.519 0.189 0.000 1.255 1016 W CA 0.619 58.026 57.345 0.103 0.000 1.314 1016 W CB -0.631 28.884 29.460 0.092 0.000 1.101 1016 W HN 0.165 nan 8.180 nan 0.000 0.595 1017 G N 0.871 109.663 108.800 -0.013 0.000 2.394 1017 G HA2 -0.278 3.678 3.960 -0.006 0.000 0.214 1017 G HA3 -0.278 3.678 3.960 -0.006 0.000 0.214 1017 G C 1.575 176.354 174.900 -0.202 0.000 1.176 1017 G CA 1.058 45.958 45.100 -0.334 0.000 0.786 1017 G HN 0.192 nan 8.290 nan 0.000 0.533 1018 R N 1.229 121.677 120.500 -0.086 0.000 2.117 1018 R HA -0.093 4.243 4.340 -0.006 0.000 0.243 1018 R C 2.468 178.756 176.300 -0.020 0.000 1.143 1018 R CA 1.542 57.608 56.100 -0.057 0.000 0.968 1018 R CB -0.283 30.005 30.300 -0.019 0.000 0.863 1018 R HN 0.234 nan 8.270 nan 0.000 0.444 1019 K N 0.096 120.521 120.400 0.042 0.000 2.032 1019 K HA -0.094 4.222 4.320 -0.006 0.000 0.209 1019 K C 2.079 178.709 176.600 0.050 0.000 1.048 1019 K CA 1.591 57.925 56.287 0.079 0.000 0.927 1019 K CB -0.723 31.883 32.500 0.176 0.000 0.712 1019 K HN 0.309 nan 8.250 nan 0.000 0.441 1020 A N 2.305 125.137 122.820 0.020 0.000 1.858 1020 A HA -0.129 4.187 4.320 -0.006 0.000 0.216 1020 A C 2.417 179.975 177.584 -0.044 0.000 1.190 1020 A CA 1.294 53.328 52.037 -0.005 0.000 0.617 1020 A CB -0.773 18.182 19.000 -0.076 0.000 0.827 1020 A HN 0.163 nan 8.150 nan 0.000 0.443 1021 L N -0.285 120.878 121.223 -0.100 0.000 2.021 1021 L HA -0.258 4.079 4.340 -0.006 0.000 0.215 1021 L C 1.908 178.751 176.870 -0.044 0.000 1.074 1021 L CA 2.082 56.869 54.840 -0.090 0.000 0.760 1021 L CB -1.136 40.853 42.059 -0.117 0.000 0.889 1021 L HN 0.356 nan 8.230 nan 0.000 0.433 1022 D N -0.383 120.001 120.400 -0.027 0.000 2.350 1022 D HA -0.061 4.575 4.640 -0.006 0.000 0.216 1022 D C 2.125 178.428 176.300 0.005 0.000 0.968 1022 D CA 0.803 54.797 54.000 -0.010 0.000 0.894 1022 D CB 0.126 40.925 40.800 -0.002 0.000 0.909 1022 D HN 0.384 nan 8.370 nan 0.000 0.520 1023 I N 0.202 120.780 120.570 0.013 0.000 2.628 1023 I HA -0.019 4.148 4.170 -0.006 0.000 0.255 1023 I C 2.284 178.417 176.117 0.027 0.000 1.119 1023 I CA 0.383 61.699 61.300 0.027 0.000 1.448 1023 I CB -0.136 37.891 38.000 0.044 0.000 1.133 1023 I HN -0.077 nan 8.210 nan 0.000 0.438 1024 A N 0.948 123.779 122.820 0.020 0.000 1.933 1024 A HA -0.214 4.103 4.320 -0.006 0.000 0.218 1024 A C 2.105 179.702 177.584 0.022 0.000 1.175 1024 A CA 1.554 53.606 52.037 0.026 0.000 0.628 1024 A CB -0.586 18.422 19.000 0.014 0.000 0.814 1024 A HN 0.421 nan 8.150 nan 0.000 0.444 1025 E N -0.065 120.137 120.200 0.004 0.000 2.114 1025 E HA -0.241 4.105 4.350 -0.006 0.000 0.199 1025 E C 1.789 178.391 176.600 0.004 0.000 1.008 1025 E CA 1.441 57.839 56.400 -0.004 0.000 0.810 1025 E CB -0.357 29.334 29.700 -0.015 0.000 0.739 1025 E HN 0.737 nan 8.360 nan 0.000 0.456 1026 N N 0.155 118.864 118.700 0.016 0.000 2.289 1026 N HA -0.136 4.600 4.740 -0.006 0.000 0.184 1026 N C 1.264 176.805 175.510 0.052 0.000 1.016 1026 N CA 0.463 53.528 53.050 0.024 0.000 0.872 1026 N CB 0.180 38.682 38.487 0.025 0.000 0.973 1026 N HN 0.096 nan 8.380 nan 0.000 0.433 1027 E N -0.070 120.173 120.200 0.071 0.000 2.474 1027 E HA 0.133 4.479 4.350 -0.006 0.000 0.195 1027 E C -0.120 176.571 176.600 0.152 0.000 1.039 1027 E CA 0.198 56.686 56.400 0.146 0.000 0.881 1027 E CB 0.491 30.274 29.700 0.138 0.000 0.970 1027 E HN 0.376 nan 8.360 nan 0.000 0.486 1028 M N 0.901 120.519 119.600 0.030 0.000 2.488 1028 M HA 0.210 4.687 4.480 -0.006 0.000 0.204 1028 M C -2.081 174.130 176.300 -0.148 0.000 0.969 1028 M CA -1.694 53.564 55.300 -0.071 0.000 0.720 1028 M CB 1.594 34.177 32.600 -0.028 0.000 1.427 1028 M HN -0.235 nan 8.290 nan 0.000 0.427 1029 P HA -0.081 nan 4.420 nan 0.000 0.217 1029 P C 1.569 178.639 177.300 -0.384 0.000 1.150 1029 P CA 1.290 64.217 63.100 -0.288 0.000 0.832 1029 P CB 0.126 31.651 31.700 -0.291 0.000 0.787 1030 G N 0.580 108.975 108.800 -0.675 0.000 2.553 1030 G HA2 -0.272 3.684 3.960 -0.006 0.000 0.218 1030 G HA3 -0.272 3.684 3.960 -0.006 0.000 0.218 1030 G C 1.501 176.330 174.900 -0.118 0.000 1.195 1030 G CA 0.943 45.816 45.100 -0.378 0.000 0.779 1030 G HN 0.231 nan 8.290 nan 0.000 0.577 1031 L N -0.069 121.108 121.223 -0.077 0.000 2.083 1031 L HA -0.082 4.255 4.340 -0.006 0.000 0.209 1031 L C 3.069 179.925 176.870 -0.023 0.000 1.083 1031 L CA 0.769 55.599 54.840 -0.016 0.000 0.752 1031 L CB -0.387 41.674 42.059 0.003 0.000 0.899 1031 L HN 0.173 nan 8.230 nan 0.000 0.433 1032 M N -0.752 118.815 119.600 -0.055 0.000 2.200 1032 M HA -0.137 4.340 4.480 -0.006 0.000 0.265 1032 M C 2.309 178.588 176.300 -0.035 0.000 1.066 1032 M CA 1.461 56.736 55.300 -0.043 0.000 1.127 1032 M CB -1.129 31.440 32.600 -0.052 0.000 1.379 1032 M HN 0.192 nan 8.290 nan 0.000 0.420 1033 R N -0.351 120.118 120.500 -0.051 0.000 2.148 1033 R HA -0.061 4.276 4.340 -0.006 0.000 0.223 1033 R C 2.045 178.351 176.300 0.009 0.000 1.088 1033 R CA 0.800 56.877 56.100 -0.038 0.000 0.985 1033 R CB 0.125 30.393 30.300 -0.053 0.000 0.880 1033 R HN 0.112 nan 8.270 nan 0.000 0.451 1034 M N 0.519 120.160 119.600 0.067 0.000 2.080 1034 M HA -0.159 4.317 4.480 -0.006 0.000 0.260 1034 M C 1.996 178.415 176.300 0.199 0.000 1.068 1034 M CA 1.742 57.170 55.300 0.214 0.000 1.109 1034 M CB -0.790 31.903 32.600 0.155 0.000 1.342 1034 M HN 0.093 nan 8.290 nan 0.000 0.405 1035 R N -0.690 119.861 120.500 0.085 0.000 2.115 1035 R HA -0.139 4.198 4.340 -0.006 0.000 0.230 1035 R C 2.152 178.461 176.300 0.015 0.000 1.111 1035 R CA 1.237 57.370 56.100 0.055 0.000 0.976 1035 R CB -0.359 29.951 30.300 0.016 0.000 0.870 1035 R HN 0.504 nan 8.270 nan 0.000 0.445 1036 E N 0.890 121.079 120.200 -0.018 0.000 2.077 1036 E HA -0.181 4.165 4.350 -0.006 0.000 0.193 1036 E C 1.843 178.379 176.600 -0.107 0.000 0.989 1036 E CA 1.652 58.020 56.400 -0.054 0.000 0.800 1036 E CB 0.162 29.827 29.700 -0.058 0.000 0.746 1036 E HN 0.343 nan 8.360 nan 0.000 0.452 1037 M N -2.171 117.304 119.600 -0.208 0.000 2.414 1037 M HA 0.141 4.618 4.480 -0.006 0.000 0.251 1037 M C 0.543 176.530 176.300 -0.521 0.000 1.116 1037 M CA 0.468 55.517 55.300 -0.417 0.000 1.056 1037 M CB 0.477 32.689 32.600 -0.646 0.000 1.388 1037 M HN 0.002 nan 8.290 nan 0.000 0.487 1038 Y N 0.579 120.886 120.300 0.012 0.000 2.430 1038 Y HA 0.231 4.777 4.550 -0.006 0.000 0.254 1038 Y C 2.778 178.686 175.900 0.014 0.000 1.088 1038 Y CA 0.407 58.517 58.100 0.018 0.000 1.267 1038 Y CB -0.082 38.393 38.460 0.026 0.000 1.204 1038 Y HN 0.359 nan 8.280 nan 0.000 0.515 1039 S N 0.439 116.214 115.700 0.125 0.000 2.465 1039 S HA -0.201 4.266 4.470 -0.006 0.000 0.241 1039 S C 1.911 176.544 174.600 0.055 0.000 1.000 1039 S CA 1.229 59.473 58.200 0.074 0.000 0.964 1039 S CB -0.258 62.965 63.200 0.038 0.000 0.763 1039 S HN 0.352 nan 8.310 nan 0.000 0.512 1040 A N 1.246 124.095 122.820 0.049 0.000 1.924 1040 A HA 0.250 4.567 4.320 -0.006 0.000 0.211 1040 A C 2.339 179.956 177.584 0.055 0.000 1.198 1040 A CA 0.936 52.995 52.037 0.036 0.000 0.657 1040 A CB -0.703 18.305 19.000 0.014 0.000 0.852 1040 A HN 0.624 nan 8.150 nan 0.000 0.454 1041 S N 0.543 116.292 115.700 0.082 0.000 2.453 1041 S HA 0.002 4.469 4.470 -0.006 0.000 0.231 1041 S C 0.392 175.059 174.600 0.112 0.000 1.005 1041 S CA 0.608 58.870 58.200 0.102 0.000 0.949 1041 S CB -0.200 63.090 63.200 0.149 0.000 0.774 1041 S HN 0.504 nan 8.310 nan 0.000 0.510 1042 K N 0.577 121.048 120.400 0.119 0.000 3.451 1042 K HA -0.127 4.189 4.320 -0.006 0.000 0.273 1042 K C -2.184 174.485 176.600 0.115 0.000 0.944 1042 K CA 0.764 57.110 56.287 0.098 0.000 0.734 1042 K CB -1.721 30.822 32.500 0.071 0.000 1.437 1042 K HN 0.384 nan 8.250 nan 0.000 0.454 1043 P HA -0.177 nan 4.420 nan 0.000 0.218 1043 P C 1.094 178.530 177.300 0.227 0.000 1.146 1043 P CA 1.211 64.385 63.100 0.124 0.000 0.813 1043 P CB 0.110 31.814 31.700 0.007 0.000 0.778 1044 L N -1.276 120.014 121.223 0.112 0.000 2.653 1044 L HA 0.171 4.508 4.340 -0.006 0.000 0.231 1044 L C 1.331 178.143 176.870 -0.098 0.000 1.153 1044 L CA -0.365 54.439 54.840 -0.061 0.000 0.933 1044 L CB -0.442 41.488 42.059 -0.214 0.000 1.175 1044 L HN -0.110 nan 8.230 nan 0.000 0.473 1045 K N 1.551 122.028 120.400 0.129 0.000 2.453 1045 K HA 0.100 4.417 4.320 -0.006 0.000 0.280 1045 K C 1.026 177.762 176.600 0.227 0.000 1.045 1045 K CA 1.179 57.533 56.287 0.110 0.000 1.059 1045 K CB 0.374 32.949 32.500 0.125 0.000 0.901 1045 K HN 0.321 nan 8.250 nan 0.000 0.475 1046 G N 2.339 111.170 108.800 0.051 0.000 2.284 1046 G HA2 -0.245 3.711 3.960 -0.006 0.000 0.216 1046 G HA3 -0.245 3.711 3.960 -0.006 0.000 0.216 1046 G C 0.084 174.779 174.900 -0.342 0.000 1.009 1046 G CA 0.009 45.192 45.100 0.138 0.000 0.625 1046 G HN 0.919 nan 8.290 nan 0.000 0.501 1047 A N 0.478 122.643 122.820 -1.092 0.000 2.351 1047 A HA 0.741 5.058 4.320 -0.006 0.000 0.257 1047 A C 0.607 177.733 177.584 -0.763 0.000 1.087 1047 A CA 0.183 51.305 52.037 -1.525 0.000 0.798 1047 A CB 0.302 18.172 19.000 -1.883 0.000 1.033 1047 A HN 0.458 nan 8.150 nan 0.000 0.488 1048 R N 1.945 121.997 120.500 -0.746 0.000 2.443 1048 R HA 0.304 4.641 4.340 -0.006 0.000 0.287 1048 R C -1.445 174.500 176.300 -0.591 0.000 1.425 1048 R CA -0.214 55.325 56.100 -0.935 0.000 1.300 1048 R CB 0.778 30.030 30.300 -1.746 0.000 1.129 1048 R HN 0.678 nan 8.270 nan 0.000 0.577 1049 I N 2.143 122.600 120.570 -0.188 0.000 2.436 1049 I HA 0.109 4.275 4.170 -0.006 0.000 0.289 1049 I C 0.636 176.840 176.117 0.145 0.000 1.083 1049 I CA 0.179 61.456 61.300 -0.038 0.000 1.372 1049 I CB 1.252 39.243 38.000 -0.014 0.000 1.408 1049 I HN 0.450 nan 8.210 nan 0.000 0.516 1050 A N 5.852 128.679 122.820 0.012 0.000 2.260 1050 A HA 0.704 5.020 4.320 -0.006 0.000 0.312 1050 A C 0.329 177.681 177.584 -0.386 0.000 1.321 1050 A CA -0.348 51.640 52.037 -0.083 0.000 0.928 1050 A CB 0.148 19.094 19.000 -0.089 0.000 1.158 1050 A HN 0.799 nan 8.150 nan 0.000 0.542 1051 G N 0.045 108.388 108.800 -0.762 0.000 2.416 1051 G HA2 0.476 4.433 3.960 -0.006 0.000 0.329 1051 G HA3 0.476 4.433 3.960 -0.006 0.000 0.329 1051 G C -0.775 173.222 174.900 -1.504 0.000 1.173 1051 G CA -0.354 43.788 45.100 -1.597 0.000 0.929 1051 G HN 1.018 nan 8.290 nan 0.000 0.475 1052 C N 4.316 123.026 119.300 -0.984 0.000 2.521 1052 C HA 0.797 5.253 4.460 -0.006 0.000 0.291 1052 C C -0.584 174.173 174.990 -0.388 0.000 1.074 1052 C CA -0.632 58.024 59.018 -0.603 0.000 1.495 1052 C CB -1.829 25.680 27.740 -0.386 0.000 1.862 1052 C HN 0.649 nan 8.230 nan 0.000 0.418 1053 L N 6.326 127.418 121.223 -0.218 0.000 2.513 1053 L HA 0.484 4.821 4.340 -0.006 0.000 0.261 1053 L C -0.358 176.612 176.870 0.166 0.000 0.945 1053 L CA -0.475 54.382 54.840 0.028 0.000 0.848 1053 L CB 1.752 43.980 42.059 0.281 0.000 1.334 1053 L HN 0.647 nan 8.230 nan 0.000 0.407 1054 H N 3.635 122.824 119.070 0.199 0.000 3.209 1054 H HA -0.116 4.436 4.556 -0.006 0.000 0.297 1054 H C 0.047 175.477 175.328 0.170 0.000 0.936 1054 H CA 0.099 56.249 56.048 0.170 0.000 1.392 1054 H CB 0.384 30.242 29.762 0.160 0.000 1.349 1054 H HN 0.376 nan 8.280 nan 0.000 0.568 1055 M N 4.683 124.422 119.600 0.232 0.000 2.383 1055 M HA 0.090 4.566 4.480 -0.006 0.000 0.337 1055 M C -0.334 176.003 176.300 0.063 0.000 1.422 1055 M CA -0.144 55.224 55.300 0.113 0.000 1.333 1055 M CB -0.396 32.254 32.600 0.084 0.000 1.488 1055 M HN 0.699 nan 8.290 nan 0.000 0.454 1056 T N 0.463 115.040 114.554 0.039 0.000 2.888 1056 T HA 0.539 4.885 4.350 -0.006 0.000 0.288 1056 T C 0.910 175.569 174.700 -0.068 0.000 1.063 1056 T CA -0.913 61.195 62.100 0.014 0.000 1.010 1056 T CB 0.807 69.730 68.868 0.092 0.000 1.214 1056 T HN 0.190 nan 8.240 nan 0.000 0.533 1057 V N 0.967 120.822 119.914 -0.098 0.000 2.324 1057 V HA -0.171 3.946 4.120 -0.006 0.000 0.250 1057 V C 2.699 178.762 176.094 -0.052 0.000 1.060 1057 V CA 2.308 64.523 62.300 -0.143 0.000 1.042 1057 V CB -1.144 30.605 31.823 -0.124 0.000 0.650 1057 V HN 0.893 nan 8.190 nan 0.000 0.450 1058 E N 0.168 120.405 120.200 0.062 0.000 2.051 1058 E HA -0.163 4.184 4.350 -0.006 0.000 0.192 1058 E C 2.337 179.073 176.600 0.227 0.000 0.991 1058 E CA 1.897 58.419 56.400 0.203 0.000 0.799 1058 E CB -0.729 29.157 29.700 0.310 0.000 0.748 1058 E HN 0.575 nan 8.360 nan 0.000 0.449 1059 T N 0.512 115.137 114.554 0.119 0.000 2.833 1059 T HA -0.155 4.192 4.350 -0.006 0.000 0.269 1059 T C 1.876 176.313 174.700 -0.438 0.000 1.054 1059 T CA 1.181 63.092 62.100 -0.316 0.000 1.135 1059 T CB -0.334 68.414 68.868 -0.199 0.000 0.869 1059 T HN 0.281 nan 8.240 nan 0.000 0.466 1060 A N 1.093 123.733 122.820 -0.300 0.000 1.902 1060 A HA -0.045 4.272 4.320 -0.006 0.000 0.217 1060 A C 2.570 179.982 177.584 -0.287 0.000 1.181 1060 A CA 1.331 53.165 52.037 -0.338 0.000 0.623 1060 A CB -0.986 17.853 19.000 -0.268 0.000 0.818 1060 A HN 0.365 nan 8.150 nan 0.000 0.443 1061 V N 0.048 119.855 119.914 -0.180 0.000 2.407 1061 V HA -0.237 3.879 4.120 -0.006 0.000 0.248 1061 V C 2.499 178.505 176.094 -0.147 0.000 1.055 1061 V CA 1.921 64.147 62.300 -0.122 0.000 1.049 1061 V CB -0.923 30.878 31.823 -0.038 0.000 0.662 1061 V HN 0.639 nan 8.190 nan 0.000 0.455 1062 L N 0.404 121.503 121.223 -0.207 0.000 2.005 1062 L HA -0.105 4.232 4.340 -0.006 0.000 0.207 1062 L C 2.227 178.899 176.870 -0.329 0.000 1.072 1062 L CA 1.865 56.554 54.840 -0.252 0.000 0.744 1062 L CB -0.661 41.120 42.059 -0.464 0.000 0.895 1062 L HN 0.225 nan 8.230 nan 0.000 0.433 1063 I N -0.005 120.235 120.570 -0.551 0.000 2.113 1063 I HA -0.353 3.814 4.170 -0.006 0.000 0.242 1063 I C 2.455 178.392 176.117 -0.299 0.000 1.064 1063 I CA 1.966 62.916 61.300 -0.584 0.000 1.320 1063 I CB -0.636 36.884 38.000 -0.801 0.000 1.028 1063 I HN 0.394 nan 8.210 nan 0.000 0.406 1064 E N 0.032 120.082 120.200 -0.249 0.000 2.265 1064 E HA -0.171 4.175 4.350 -0.006 0.000 0.196 1064 E C 2.061 178.597 176.600 -0.106 0.000 0.996 1064 E CA 1.528 57.835 56.400 -0.154 0.000 0.832 1064 E CB -0.087 29.531 29.700 -0.137 0.000 0.756 1064 E HN 0.548 nan 8.360 nan 0.000 0.491 1065 T N 0.948 115.436 114.554 -0.110 0.000 2.851 1065 T HA -0.017 4.330 4.350 -0.006 0.000 0.262 1065 T C 1.928 176.599 174.700 -0.050 0.000 1.043 1065 T CA 0.423 62.488 62.100 -0.059 0.000 1.140 1065 T CB -0.031 68.811 68.868 -0.044 0.000 0.872 1065 T HN 0.090 nan 8.240 nan 0.000 0.446 1066 L N 0.826 122.003 121.223 -0.077 0.000 2.083 1066 L HA -0.083 4.253 4.340 -0.006 0.000 0.209 1066 L C 2.595 179.434 176.870 -0.051 0.000 1.083 1066 L CA 0.877 55.683 54.840 -0.056 0.000 0.752 1066 L CB -0.604 41.430 42.059 -0.041 0.000 0.899 1066 L HN 0.144 nan 8.230 nan 0.000 0.433 1067 V N -0.137 119.742 119.914 -0.057 0.000 2.379 1067 V HA -0.203 3.914 4.120 -0.006 0.000 0.245 1067 V C 2.633 178.711 176.094 -0.027 0.000 1.044 1067 V CA 1.638 63.914 62.300 -0.040 0.000 1.036 1067 V CB -0.641 31.152 31.823 -0.050 0.000 0.664 1067 V HN 0.465 nan 8.190 nan 0.000 0.453 1068 A N -0.666 122.139 122.820 -0.026 0.000 2.125 1068 A HA -0.073 4.243 4.320 -0.006 0.000 0.219 1068 A C 1.775 179.369 177.584 0.017 0.000 1.156 1068 A CA 1.233 53.267 52.037 -0.006 0.000 0.671 1068 A CB -0.353 18.643 19.000 -0.006 0.000 0.794 1068 A HN 0.448 nan 8.150 nan 0.000 0.459 1069 L N -1.045 120.186 121.223 0.013 0.000 2.653 1069 L HA 0.318 4.655 4.340 -0.006 0.000 0.231 1069 L C 1.500 178.381 176.870 0.017 0.000 1.153 1069 L CA 0.924 55.785 54.840 0.035 0.000 0.933 1069 L CB -0.252 41.818 42.059 0.019 0.000 1.175 1069 L HN 0.545 nan 8.230 nan 0.000 0.473 1070 G N -1.014 107.788 108.800 0.002 0.000 2.137 1070 G HA2 -0.161 3.796 3.960 -0.006 0.000 0.237 1070 G HA3 -0.161 3.796 3.960 -0.006 0.000 0.237 1070 G C 0.392 175.263 174.900 -0.049 0.000 1.002 1070 G CA 0.116 45.214 45.100 -0.004 0.000 0.702 1070 G HN 0.644 nan 8.290 nan 0.000 0.515 1071 A N -0.564 122.209 122.820 -0.079 0.000 2.294 1071 A HA 0.823 5.139 4.320 -0.006 0.000 0.330 1071 A C 0.069 177.613 177.584 -0.068 0.000 1.133 1071 A CA -0.363 51.588 52.037 -0.144 0.000 0.836 1071 A CB 0.849 19.739 19.000 -0.183 0.000 1.190 1071 A HN 0.376 nan 8.150 nan 0.000 0.492 1072 E N -0.066 120.087 120.200 -0.078 0.000 2.197 1072 E HA 0.525 4.871 4.350 -0.006 0.000 0.281 1072 E C -1.113 175.635 176.600 0.247 0.000 0.995 1072 E CA -0.151 56.308 56.400 0.098 0.000 0.808 1072 E CB 1.767 31.527 29.700 0.099 0.000 1.093 1072 E HN 0.322 nan 8.360 nan 0.000 0.394 1073 V N 3.560 123.651 119.914 0.296 0.000 2.709 1073 V HA 0.500 4.616 4.120 -0.006 0.000 0.308 1073 V C -0.544 175.675 176.094 0.208 0.000 1.062 1073 V CA -0.796 61.691 62.300 0.312 0.000 0.901 1073 V CB 2.096 34.052 31.823 0.221 0.000 1.003 1073 V HN 0.559 nan 8.190 nan 0.000 0.425 1074 R N 2.989 123.597 120.500 0.180 0.000 2.513 1074 R HA 0.465 4.802 4.340 -0.006 0.000 0.301 1074 R C -1.678 174.725 176.300 0.170 0.000 0.968 1074 R CA -0.447 55.658 56.100 0.009 0.000 0.872 1074 R CB 1.625 31.718 30.300 -0.345 0.000 1.177 1074 R HN 0.751 nan 8.270 nan 0.000 0.444 1075 W N 2.074 123.344 121.300 -0.051 0.000 2.799 1075 W HA 0.516 5.172 4.660 -0.006 0.000 0.349 1075 W C -0.879 175.641 176.519 0.003 0.000 1.100 1075 W CA -0.366 56.948 57.345 -0.052 0.000 1.174 1075 W CB 2.353 31.757 29.460 -0.094 0.000 1.427 1075 W HN 0.658 nan 8.180 nan 0.000 0.547 1076 S N 0.935 116.603 115.700 -0.053 0.000 2.537 1076 S HA 0.344 4.810 4.470 -0.006 0.000 0.270 1076 S C -0.761 173.810 174.600 -0.049 0.000 1.142 1076 S CA -0.738 57.438 58.200 -0.039 0.000 0.870 1076 S CB 1.741 64.810 63.200 -0.218 0.000 1.112 1076 S HN 0.383 nan 8.310 nan 0.000 0.466 1077 S N -0.190 115.530 115.700 0.033 0.000 2.624 1077 S HA 0.338 4.804 4.470 -0.006 0.000 0.263 1077 S C 1.086 175.722 174.600 0.060 0.000 1.287 1077 S CA -0.117 58.127 58.200 0.073 0.000 0.990 1077 S CB 0.223 63.474 63.200 0.085 0.000 0.950 1077 S HN 1.635 nan 8.310 nan 0.000 0.561 1078 C N 2.446 121.716 119.300 -0.049 0.000 3.000 1078 C HA 0.566 5.023 4.460 -0.006 0.000 0.286 1078 C C 0.046 174.996 174.990 -0.068 0.000 1.343 1078 C CA -0.838 58.157 59.018 -0.039 0.000 1.742 1078 C CB -1.860 25.721 27.740 -0.265 0.000 2.200 1078 C HN 0.738 nan 8.230 nan 0.000 0.621 1079 N N 1.005 119.684 118.700 -0.036 0.000 2.371 1079 N HA 0.283 5.020 4.740 -0.006 0.000 0.280 1079 N C 0.558 175.963 175.510 -0.175 0.000 1.084 1079 N CA -0.436 52.568 53.050 -0.078 0.000 0.892 1079 N CB 1.368 40.011 38.487 0.259 0.000 1.653 1079 N HN 0.361 nan 8.380 nan 0.000 0.480 1080 I N -0.108 120.199 120.570 -0.438 0.000 2.454 1080 I HA -0.068 4.098 4.170 -0.006 0.000 0.254 1080 I C 0.677 176.405 176.117 -0.648 0.000 1.156 1080 I CA 1.278 62.197 61.300 -0.635 0.000 1.433 1080 I CB -0.344 37.095 38.000 -0.934 0.000 1.082 1080 I HN 0.241 nan 8.210 nan 0.000 0.432 1081 F N 1.111 121.056 119.950 -0.009 0.000 2.637 1081 F HA 0.104 4.627 4.527 -0.006 0.000 0.284 1081 F C 2.747 178.591 175.800 0.074 0.000 1.105 1081 F CA 0.536 58.559 58.000 0.038 0.000 1.356 1081 F CB -0.636 38.381 39.000 0.028 0.000 1.096 1081 F HN 0.004 nan 8.300 nan 0.000 0.616 1082 S N -0.470 115.397 115.700 0.279 0.000 2.423 1082 S HA -0.219 4.248 4.470 -0.006 0.000 0.238 1082 S C 1.362 176.080 174.600 0.197 0.000 1.028 1082 S CA 1.296 59.635 58.200 0.231 0.000 1.000 1082 S CB -1.484 61.920 63.200 0.339 0.000 0.797 1082 S HN 0.370 nan 8.310 nan 0.000 0.487 1083 T N 1.424 116.083 114.554 0.175 0.000 2.888 1083 T HA 0.200 4.547 4.350 -0.006 0.000 0.301 1083 T C -0.416 174.363 174.700 0.132 0.000 1.001 1083 T CA -0.307 61.877 62.100 0.140 0.000 1.147 1083 T CB 0.407 69.334 68.868 0.099 0.000 0.931 1083 T HN 0.501 nan 8.240 nan 0.000 0.541 1084 Q N 3.557 123.417 119.800 0.101 0.000 2.303 1084 Q HA 0.233 4.569 4.340 -0.006 0.000 0.257 1084 Q C 0.666 176.719 176.000 0.088 0.000 0.941 1084 Q CA -0.706 55.164 55.803 0.111 0.000 0.931 1084 Q CB 1.312 30.098 28.738 0.080 0.000 1.215 1084 Q HN 0.702 nan 8.270 nan 0.000 0.437 1085 D N 1.103 121.592 120.400 0.148 0.000 2.123 1085 D HA -0.170 4.467 4.640 -0.006 0.000 0.200 1085 D C 1.612 177.948 176.300 0.060 0.000 0.976 1085 D CA 1.183 55.258 54.000 0.126 0.000 0.831 1085 D CB 0.177 41.086 40.800 0.181 0.000 0.974 1085 D HN 0.694 nan 8.370 nan 0.000 0.469 1086 H N 0.560 119.470 119.070 -0.267 0.000 2.489 1086 H HA 0.131 4.683 4.556 -0.006 0.000 0.293 1086 H C 1.676 176.812 175.328 -0.319 0.000 1.066 1086 H CA 1.269 57.084 56.048 -0.388 0.000 1.305 1086 H CB -0.505 28.583 29.762 -1.123 0.000 1.386 1086 H HN 0.045 nan 8.280 nan 0.000 0.551 1087 A N 1.351 123.763 122.820 -0.681 0.000 1.935 1087 A HA 0.292 4.609 4.320 -0.006 0.000 0.214 1087 A C 2.721 180.126 177.584 -0.298 0.000 1.178 1087 A CA 1.292 52.989 52.037 -0.566 0.000 0.640 1087 A CB -0.770 17.925 19.000 -0.508 0.000 0.825 1087 A HN 0.565 nan 8.150 nan 0.000 0.447 1088 A N 0.031 122.739 122.820 -0.187 0.000 1.897 1088 A HA 0.256 4.573 4.320 -0.006 0.000 0.215 1088 A C 2.472 179.957 177.584 -0.166 0.000 1.181 1088 A CA 1.774 53.732 52.037 -0.132 0.000 0.620 1088 A CB -0.956 18.028 19.000 -0.026 0.000 0.821 1088 A HN 0.941 nan 8.150 nan 0.000 0.443 1089 A N 0.103 122.841 122.820 -0.137 0.000 1.883 1089 A HA 0.118 4.434 4.320 -0.006 0.000 0.217 1089 A C 2.496 179.965 177.584 -0.191 0.000 1.186 1089 A CA 2.180 54.123 52.037 -0.156 0.000 0.624 1089 A CB -1.071 17.897 19.000 -0.055 0.000 0.822 1089 A HN 1.097 nan 8.150 nan 0.000 0.444 1090 A N -0.448 122.269 122.820 -0.172 0.000 1.972 1090 A HA -0.049 4.268 4.320 -0.006 0.000 0.219 1090 A C 2.004 179.481 177.584 -0.178 0.000 1.169 1090 A CA 1.585 53.527 52.037 -0.158 0.000 0.635 1090 A CB -0.427 18.470 19.000 -0.172 0.000 0.810 1090 A HN 0.421 nan 8.150 nan 0.000 0.446 1091 I N -0.285 120.157 120.570 -0.213 0.000 2.193 1091 I HA -0.168 3.999 4.170 -0.006 0.000 0.240 1091 I C 2.984 178.966 176.117 -0.224 0.000 1.084 1091 I CA 1.326 62.498 61.300 -0.215 0.000 1.365 1091 I CB -1.624 36.231 38.000 -0.241 0.000 1.064 1091 I HN 0.352 nan 8.210 nan 0.000 0.410 1092 A N 0.967 123.594 122.820 -0.322 0.000 1.883 1092 A HA -0.264 4.052 4.320 -0.006 0.000 0.217 1092 A C 2.407 179.769 177.584 -0.370 0.000 1.186 1092 A CA 2.100 53.826 52.037 -0.519 0.000 0.624 1092 A CB -0.692 17.654 19.000 -1.090 0.000 0.822 1092 A HN 0.392 nan 8.150 nan 0.000 0.444 1093 K N 0.163 120.386 120.400 -0.295 0.000 2.209 1093 K HA -0.038 4.278 4.320 -0.006 0.000 0.204 1093 K C 1.792 178.347 176.600 -0.075 0.000 1.048 1093 K CA 1.288 57.492 56.287 -0.138 0.000 0.940 1093 K CB -0.358 32.079 32.500 -0.105 0.000 0.729 1093 K HN 0.353 nan 8.250 nan 0.000 0.451 1094 A N 0.411 123.172 122.820 -0.098 0.000 2.209 1094 A HA 0.114 4.431 4.320 -0.006 0.000 0.212 1094 A C 1.359 178.919 177.584 -0.040 0.000 1.158 1094 A CA 1.145 53.141 52.037 -0.069 0.000 0.742 1094 A CB -0.479 18.465 19.000 -0.094 0.000 0.790 1094 A HN 0.592 nan 8.150 nan 0.000 0.472 1095 G N -1.709 107.077 108.800 -0.024 0.000 2.144 1095 G HA2 -0.183 3.773 3.960 -0.006 0.000 0.218 1095 G HA3 -0.183 3.773 3.960 -0.006 0.000 0.218 1095 G C -0.035 174.871 174.900 0.009 0.000 0.988 1095 G CA 0.127 45.238 45.100 0.018 0.000 0.659 1095 G HN 0.402 nan 8.290 nan 0.000 0.522 1096 I N 2.400 122.950 120.570 -0.032 0.000 2.392 1096 I HA 0.416 4.583 4.170 -0.006 0.000 0.295 1096 I C -1.906 174.176 176.117 -0.059 0.000 0.985 1096 I CA -2.706 58.566 61.300 -0.046 0.000 1.221 1096 I CB 1.931 39.880 38.000 -0.086 0.000 1.366 1096 I HN -0.132 nan 8.210 nan 0.000 0.467 1097 P HA 0.140 nan 4.420 nan 0.000 0.279 1097 P C -0.955 176.146 177.300 -0.332 0.000 1.318 1097 P CA -0.128 62.857 63.100 -0.192 0.000 0.819 1097 P CB 0.383 32.003 31.700 -0.133 0.000 0.927 1098 V N 1.727 121.381 119.914 -0.433 0.000 2.495 1098 V HA 0.593 4.709 4.120 -0.006 0.000 0.298 1098 V C -0.543 175.261 176.094 -0.483 0.000 1.031 1098 V CA -0.881 61.239 62.300 -0.300 0.000 0.871 1098 V CB 1.466 33.210 31.823 -0.132 0.000 0.988 1098 V HN 0.155 nan 8.190 nan 0.000 0.432 1099 F N 3.088 123.081 119.950 0.071 0.000 2.451 1099 F HA 0.879 5.402 4.527 -0.006 0.000 0.367 1099 F C 0.425 176.215 175.800 -0.018 0.000 1.100 1099 F CA -0.287 57.772 58.000 0.099 0.000 1.171 1099 F CB 1.460 40.359 39.000 -0.167 0.000 1.405 1099 F HN 0.912 nan 8.300 nan 0.000 0.482 1100 A N 2.746 125.676 122.820 0.182 0.000 2.547 1100 A HA 0.717 5.034 4.320 -0.006 0.000 0.298 1100 A C -2.022 175.655 177.584 0.155 0.000 1.062 1100 A CA -0.799 51.197 52.037 -0.068 0.000 0.748 1100 A CB 0.555 19.559 19.000 0.007 0.000 1.288 1100 A HN 0.691 nan 8.150 nan 0.000 0.396 1101 W N 1.352 122.736 121.300 0.140 0.000 3.127 1101 W HA 0.736 5.393 4.660 -0.006 0.000 0.330 1101 W C -0.428 176.149 176.519 0.096 0.000 1.187 1101 W CA -1.024 56.390 57.345 0.114 0.000 1.198 1101 W CB 1.216 30.747 29.460 0.119 0.000 1.408 1101 W HN 0.739 nan 8.180 nan 0.000 0.529 1102 K N 2.023 122.585 120.400 0.271 0.000 2.416 1102 K HA 0.410 4.727 4.320 -0.006 0.000 0.283 1102 K C 0.776 177.526 176.600 0.250 0.000 1.037 1102 K CA 0.992 57.407 56.287 0.213 0.000 0.995 1102 K CB 0.037 32.687 32.500 0.249 0.000 0.938 1102 K HN 1.341 nan 8.250 nan 0.000 0.475 1103 G N 3.524 112.363 108.800 0.065 0.000 2.452 1103 G HA2 -0.211 3.745 3.960 -0.006 0.000 0.275 1103 G HA3 -0.211 3.745 3.960 -0.006 0.000 0.275 1103 G C -0.623 174.267 174.900 -0.017 0.000 1.131 1103 G CA 0.056 45.163 45.100 0.013 0.000 1.031 1103 G HN 0.711 nan 8.290 nan 0.000 0.511 1104 E N -0.037 119.989 120.200 -0.291 0.000 2.267 1104 E HA 0.690 5.037 4.350 -0.006 0.000 0.258 1104 E C 0.825 177.388 176.600 -0.062 0.000 1.074 1104 E CA -0.347 56.031 56.400 -0.037 0.000 0.915 1104 E CB 0.857 30.361 29.700 -0.325 0.000 1.186 1104 E HN 0.474 nan 8.360 nan 0.000 0.439 1105 T N -1.919 112.696 114.554 0.101 0.000 2.928 1105 T HA 0.138 4.484 4.350 -0.006 0.000 0.284 1105 T C 0.150 174.894 174.700 0.074 0.000 1.008 1105 T CA -0.753 61.392 62.100 0.076 0.000 1.057 1105 T CB 0.930 69.870 68.868 0.120 0.000 1.018 1105 T HN 0.265 nan 8.240 nan 0.000 0.493 1106 D N 1.172 121.601 120.400 0.048 0.000 2.315 1106 D HA -0.047 4.589 4.640 -0.006 0.000 0.211 1106 D C 1.512 177.903 176.300 0.151 0.000 0.977 1106 D CA 1.116 55.163 54.000 0.079 0.000 0.894 1106 D CB 0.030 40.860 40.800 0.051 0.000 0.910 1106 D HN 0.755 nan 8.370 nan 0.000 0.490 1107 E N 0.302 120.584 120.200 0.136 0.000 2.075 1107 E HA -0.019 4.327 4.350 -0.006 0.000 0.190 1107 E C 1.754 178.476 176.600 0.204 0.000 0.969 1107 E CA 0.559 57.045 56.400 0.142 0.000 0.815 1107 E CB -0.053 29.709 29.700 0.102 0.000 0.776 1107 E HN 0.343 nan 8.360 nan 0.000 0.457 1108 E N -0.039 120.307 120.200 0.243 0.000 2.204 1108 E HA -0.191 4.155 4.350 -0.006 0.000 0.194 1108 E C 1.553 178.357 176.600 0.341 0.000 0.989 1108 E CA 0.697 57.328 56.400 0.385 0.000 0.824 1108 E CB -0.160 29.879 29.700 0.565 0.000 0.756 1108 E HN 0.266 nan 8.360 nan 0.000 0.477 1109 Y N 1.617 121.945 120.300 0.047 0.000 2.114 1109 Y HA -0.205 4.342 4.550 -0.006 0.000 0.284 1109 Y C 1.963 177.839 175.900 -0.041 0.000 1.143 1109 Y CA 1.156 59.209 58.100 -0.079 0.000 1.135 1109 Y CB -0.215 38.174 38.460 -0.117 0.000 0.980 1109 Y HN -0.030 nan 8.280 nan 0.000 0.499 1110 L N -0.536 120.650 121.223 -0.061 0.000 2.131 1110 L HA -0.222 4.115 4.340 -0.006 0.000 0.210 1110 L C 2.193 178.983 176.870 -0.133 0.000 1.092 1110 L CA 1.740 56.480 54.840 -0.166 0.000 0.759 1110 L CB -1.896 40.170 42.059 0.010 0.000 0.903 1110 L HN 0.654 nan 8.230 nan 0.000 0.435 1111 W N -0.373 120.842 121.300 -0.141 0.000 2.407 1111 W HA -0.190 4.466 4.660 -0.006 0.000 0.305 1111 W C 2.716 179.099 176.519 -0.227 0.000 1.196 1111 W CA 1.339 58.610 57.345 -0.123 0.000 1.311 1111 W CB -0.575 28.876 29.460 -0.014 0.000 1.135 1111 W HN 0.086 nan 8.180 nan 0.000 0.514 1112 C N 0.852 119.918 119.300 -0.390 0.000 2.398 1112 C HA -0.252 4.204 4.460 -0.006 0.000 0.276 1112 C C 2.739 177.265 174.990 -0.774 0.000 1.222 1112 C CA 1.585 60.191 59.018 -0.686 0.000 1.746 1112 C CB -1.491 26.085 27.740 -0.274 0.000 2.039 1112 C HN 0.407 nan 8.230 nan 0.000 0.470 1113 I N 0.421 120.614 120.570 -0.629 0.000 2.142 1113 I HA -0.223 3.943 4.170 -0.006 0.000 0.240 1113 I C 2.524 178.307 176.117 -0.556 0.000 1.078 1113 I CA 1.691 62.648 61.300 -0.571 0.000 1.343 1113 I CB -0.706 36.948 38.000 -0.577 0.000 1.046 1113 I HN 0.373 nan 8.210 nan 0.000 0.405 1114 E N 0.396 120.282 120.200 -0.524 0.000 2.171 1114 E HA -0.266 4.081 4.350 -0.006 0.000 0.197 1114 E C 2.202 178.502 176.600 -0.500 0.000 0.997 1114 E CA 1.075 57.230 56.400 -0.408 0.000 0.810 1114 E CB 0.051 29.600 29.700 -0.252 0.000 0.738 1114 E HN 0.430 nan 8.360 nan 0.000 0.467 1115 Q N -0.767 118.501 119.800 -0.886 0.000 2.167 1115 Q HA -0.096 4.240 4.340 -0.006 0.000 0.202 1115 Q C 2.129 177.731 176.000 -0.663 0.000 0.970 1115 Q CA 1.681 56.838 55.803 -1.076 0.000 0.855 1115 Q CB -0.466 26.750 28.738 -2.536 0.000 0.911 1115 Q HN 0.413 nan 8.270 nan 0.000 0.438 1116 T N -2.072 112.170 114.554 -0.520 0.000 3.194 1116 T HA 0.176 4.522 4.350 -0.006 0.000 0.251 1116 T C 1.693 176.241 174.700 -0.253 0.000 1.132 1116 T CA 0.069 61.990 62.100 -0.299 0.000 1.028 1116 T CB -0.216 68.513 68.868 -0.231 0.000 0.976 1116 T HN 0.100 nan 8.240 nan 0.000 0.535 1117 L N -0.352 120.701 121.223 -0.284 0.000 2.307 1117 L HA 0.257 4.593 4.340 -0.006 0.000 0.211 1117 L C 0.887 177.534 176.870 -0.370 0.000 1.099 1117 L CA 0.461 55.111 54.840 -0.317 0.000 0.816 1117 L CB -0.207 41.602 42.059 -0.417 0.000 0.952 1117 L HN 0.362 nan 8.230 nan 0.000 0.455 1118 H N -0.769 118.312 119.070 0.018 0.000 2.547 1118 H HA 0.402 4.954 4.556 -0.006 0.000 0.342 1118 H C -0.934 174.435 175.328 0.069 0.000 1.048 1118 H CA -0.687 55.434 56.048 0.122 0.000 1.204 1118 H CB 1.656 31.444 29.762 0.043 0.000 1.493 1118 H HN -0.195 nan 8.280 nan 0.000 0.511 1119 F N 1.212 121.218 119.950 0.092 0.000 2.461 1119 F HA 0.162 4.685 4.527 -0.006 0.000 0.332 1119 F C 1.739 177.575 175.800 0.060 0.000 1.073 1119 F CA -1.116 56.919 58.000 0.057 0.000 1.017 1119 F CB 0.790 39.800 39.000 0.018 0.000 1.301 1119 F HN 0.360 nan 8.300 nan 0.000 0.492 1120 K N -0.658 119.885 120.400 0.238 0.000 2.097 1120 K HA -0.105 4.211 4.320 -0.006 0.000 0.206 1120 K C 0.547 177.225 176.600 0.129 0.000 1.049 1120 K CA 1.840 58.211 56.287 0.140 0.000 0.933 1120 K CB -0.317 32.248 32.500 0.108 0.000 0.717 1120 K HN 0.343 nan 8.250 nan 0.000 0.442 1121 D N 0.390 120.881 120.400 0.152 0.000 2.342 1121 D HA 0.220 4.857 4.640 -0.006 0.000 0.221 1121 D C 0.420 176.774 176.300 0.089 0.000 1.101 1121 D CA 0.789 54.846 54.000 0.094 0.000 0.837 1121 D CB 0.636 41.472 40.800 0.060 0.000 0.938 1121 D HN 0.393 nan 8.370 nan 0.000 0.508 1122 G N 1.312 110.200 108.800 0.147 0.000 2.331 1122 G HA2 -0.085 3.872 3.960 -0.006 0.000 0.402 1122 G HA3 -0.085 3.872 3.960 -0.006 0.000 0.402 1122 G C -3.004 172.034 174.900 0.230 0.000 1.275 1122 G CA -1.014 44.175 45.100 0.149 0.000 1.003 1122 G HN -0.155 nan 8.290 nan 0.000 0.500 1123 P HA 0.493 nan 4.420 nan 0.000 0.276 1123 P C 0.507 177.780 177.300 -0.045 0.000 1.252 1123 P CA -0.543 62.640 63.100 0.138 0.000 0.802 1123 P CB 0.746 32.497 31.700 0.084 0.000 1.035 1124 L N 0.074 121.264 121.223 -0.056 0.000 2.514 1124 L HA 0.169 4.506 4.340 -0.006 0.000 0.280 1124 L C 0.782 177.529 176.870 -0.206 0.000 1.223 1124 L CA 0.345 55.055 54.840 -0.217 0.000 0.864 1124 L CB -0.541 41.505 42.059 -0.022 0.000 1.118 1124 L HN 0.335 nan 8.230 nan 0.000 0.494 1125 N N 2.072 120.617 118.700 -0.258 0.000 2.171 1125 N HA 0.284 5.020 4.740 -0.006 0.000 0.212 1125 N C -0.445 175.021 175.510 -0.075 0.000 1.184 1125 N CA -0.288 52.694 53.050 -0.115 0.000 0.888 1125 N CB 0.486 38.947 38.487 -0.042 0.000 1.038 1125 N HN 0.723 nan 8.380 nan 0.000 0.517 1126 M N 0.424 119.936 119.600 -0.147 0.000 2.470 1126 M HA 0.545 5.021 4.480 -0.006 0.000 0.285 1126 M C -2.108 174.119 176.300 -0.122 0.000 1.213 1126 M CA -0.453 54.782 55.300 -0.108 0.000 0.901 1126 M CB 2.578 35.083 32.600 -0.159 0.000 1.718 1126 M HN 0.014 nan 8.290 nan 0.000 0.469 1127 I N 3.349 123.858 120.570 -0.102 0.000 2.509 1127 I HA 0.554 4.721 4.170 -0.006 0.000 0.293 1127 I C -1.407 174.632 176.117 -0.131 0.000 1.020 1127 I CA -0.593 60.627 61.300 -0.132 0.000 1.088 1127 I CB 2.029 39.960 38.000 -0.116 0.000 1.267 1127 I HN 0.635 nan 8.210 nan 0.000 0.430 1128 L N 5.910 127.018 121.223 -0.192 0.000 2.401 1128 L HA 0.526 4.863 4.340 -0.006 0.000 0.263 1128 L C -1.574 175.153 176.870 -0.238 0.000 1.004 1128 L CA -0.230 54.509 54.840 -0.169 0.000 0.881 1128 L CB 0.668 42.641 42.059 -0.143 0.000 1.219 1128 L HN 0.511 nan 8.230 nan 0.000 0.441 1129 D N 2.560 122.868 120.400 -0.154 0.000 2.340 1129 D HA 0.347 4.983 4.640 -0.006 0.000 0.240 1129 D C -1.416 174.837 176.300 -0.078 0.000 1.001 1129 D CA -0.036 53.873 54.000 -0.152 0.000 0.888 1129 D CB 2.410 43.133 40.800 -0.128 0.000 1.310 1129 D HN 0.424 nan 8.370 nan 0.000 0.474 1130 D N 1.425 121.779 120.400 -0.077 0.000 2.358 1130 D HA 0.449 5.085 4.640 -0.006 0.000 0.253 1130 D C 0.586 176.871 176.300 -0.025 0.000 1.288 1130 D CA -0.274 53.719 54.000 -0.011 0.000 0.950 1130 D CB 0.282 41.099 40.800 0.027 0.000 1.197 1130 D HN 0.600 nan 8.370 nan 0.000 0.550 1131 G N 1.969 110.769 108.800 -0.000 0.000 2.617 1131 G HA2 -0.032 3.925 3.960 -0.006 0.000 0.197 1131 G HA3 -0.032 3.925 3.960 -0.006 0.000 0.197 1131 G C 1.035 175.938 174.900 0.005 0.000 1.017 1131 G CA 0.498 45.608 45.100 0.016 0.000 0.713 1131 G HN 1.474 nan 8.290 nan 0.000 0.481 1132 G N 0.269 109.054 108.800 -0.024 0.000 2.254 1132 G HA2 -0.262 3.695 3.960 -0.006 0.000 0.225 1132 G HA3 -0.262 3.695 3.960 -0.006 0.000 0.225 1132 G C 0.842 175.722 174.900 -0.033 0.000 1.003 1132 G CA 0.970 46.053 45.100 -0.029 0.000 0.622 1132 G HN 0.686 nan 8.290 nan 0.000 0.507 1133 D N 0.631 121.017 120.400 -0.024 0.000 2.126 1133 D HA -0.135 4.501 4.640 -0.006 0.000 0.190 1133 D C 2.516 178.757 176.300 -0.099 0.000 1.001 1133 D CA 1.290 55.271 54.000 -0.031 0.000 0.841 1133 D CB -0.375 40.435 40.800 0.016 0.000 0.949 1133 D HN 0.404 nan 8.370 nan 0.000 0.446 1134 L N 0.711 121.846 121.223 -0.147 0.000 1.956 1134 L HA -0.248 4.089 4.340 -0.006 0.000 0.216 1134 L C 2.677 179.464 176.870 -0.138 0.000 1.073 1134 L CA 2.531 57.252 54.840 -0.198 0.000 0.762 1134 L CB -0.994 40.924 42.059 -0.234 0.000 0.889 1134 L HN 0.247 nan 8.230 nan 0.000 0.433 1135 T N -2.685 111.822 114.554 -0.078 0.000 2.778 1135 T HA -0.240 4.107 4.350 -0.006 0.000 0.269 1135 T C 1.433 176.216 174.700 0.138 0.000 1.050 1135 T CA 2.123 64.241 62.100 0.029 0.000 1.137 1135 T CB -0.606 68.280 68.868 0.030 0.000 0.860 1135 T HN 0.485 nan 8.240 nan 0.000 0.468 1136 N N 0.487 119.207 118.700 0.033 0.000 2.092 1136 N HA 0.142 4.878 4.740 -0.006 0.000 0.189 1136 N C 1.916 177.442 175.510 0.027 0.000 1.040 1136 N CA 1.082 54.158 53.050 0.043 0.000 0.845 1136 N CB -0.314 38.176 38.487 0.005 0.000 1.017 1136 N HN 0.281 nan 8.380 nan 0.000 0.426 1137 L N 0.746 121.933 121.223 -0.060 0.000 2.089 1137 L HA -0.221 4.115 4.340 -0.006 0.000 0.213 1137 L C 1.638 178.400 176.870 -0.179 0.000 1.079 1137 L CA 1.318 56.080 54.840 -0.130 0.000 0.758 1137 L CB -0.189 41.727 42.059 -0.239 0.000 0.891 1137 L HN 0.176 nan 8.230 nan 0.000 0.433 1138 I N -0.703 119.749 120.570 -0.197 0.000 2.202 1138 I HA -0.273 3.893 4.170 -0.006 0.000 0.242 1138 I C 2.292 178.348 176.117 -0.101 0.000 1.091 1138 I CA 1.610 62.781 61.300 -0.214 0.000 1.368 1138 I CB -0.713 37.136 38.000 -0.252 0.000 1.058 1138 I HN 0.259 nan 8.210 nan 0.000 0.410 1139 H N -0.647 118.401 119.070 -0.036 0.000 2.321 1139 H HA -0.152 4.400 4.556 -0.006 0.000 0.300 1139 H C 2.383 177.721 175.328 0.017 0.000 1.087 1139 H CA 2.310 58.354 56.048 -0.007 0.000 1.319 1139 H CB -0.296 29.455 29.762 -0.019 0.000 1.379 1139 H HN 0.426 nan 8.280 nan 0.000 0.501 1140 T N -1.215 113.420 114.554 0.135 0.000 2.978 1140 T HA -0.024 4.323 4.350 -0.006 0.000 0.262 1140 T C 1.473 176.235 174.700 0.103 0.000 1.063 1140 T CA 0.914 63.072 62.100 0.097 0.000 1.140 1140 T CB 0.240 69.150 68.868 0.071 0.000 0.886 1140 T HN 0.329 nan 8.240 nan 0.000 0.470 1141 K N -0.655 119.843 120.400 0.165 0.000 2.436 1141 K HA 0.169 4.485 4.320 -0.006 0.000 0.198 1141 K C 0.360 177.162 176.600 0.337 0.000 1.174 1141 K CA 0.151 56.596 56.287 0.263 0.000 0.951 1141 K CB 0.401 33.115 32.500 0.357 0.000 1.040 1141 K HN 0.383 nan 8.250 nan 0.000 0.536 1142 H N 0.411 119.457 119.070 -0.040 0.000 2.481 1142 H HA 0.237 4.790 4.556 -0.006 0.000 0.273 1142 H C -2.153 173.134 175.328 -0.069 0.000 1.145 1142 H CA -2.533 53.486 56.048 -0.047 0.000 0.964 1142 H CB 0.044 29.768 29.762 -0.064 0.000 1.722 1142 H HN 0.001 nan 8.280 nan 0.000 0.573 1143 P HA -0.219 nan 4.420 nan 0.000 0.219 1143 P C 1.068 178.359 177.300 -0.015 0.000 1.145 1143 P CA 1.481 64.573 63.100 -0.013 0.000 0.813 1143 P CB 0.377 32.083 31.700 0.011 0.000 0.771 1144 Q N -0.701 119.100 119.800 0.003 0.000 2.046 1144 Q HA -0.106 4.230 4.340 -0.006 0.000 0.200 1144 Q C 2.117 178.120 176.000 0.006 0.000 0.975 1144 Q CA 1.245 57.051 55.803 0.004 0.000 0.836 1144 Q CB -1.176 27.566 28.738 0.006 0.000 0.896 1144 Q HN 0.276 nan 8.270 nan 0.000 0.428 1145 L N -0.149 121.083 121.223 0.015 0.000 2.093 1145 L HA -0.137 4.199 4.340 -0.006 0.000 0.208 1145 L C 1.968 178.809 176.870 -0.048 0.000 1.085 1145 L CA 0.215 55.053 54.840 -0.004 0.000 0.755 1145 L CB -0.622 41.431 42.059 -0.010 0.000 0.904 1145 L HN 0.237 nan 8.230 nan 0.000 0.435 1146 L N 0.507 121.678 121.223 -0.087 0.000 2.058 1146 L HA -0.333 4.004 4.340 -0.006 0.000 0.226 1146 L C 2.657 179.486 176.870 -0.067 0.000 1.089 1146 L CA 2.373 57.134 54.840 -0.132 0.000 0.799 1146 L CB -1.374 40.589 42.059 -0.160 0.000 0.900 1146 L HN 0.364 nan 8.230 nan 0.000 0.442 1147 S N -1.207 114.472 115.700 -0.035 0.000 2.547 1147 S HA -0.029 4.437 4.470 -0.006 0.000 0.235 1147 S C 1.780 176.376 174.600 -0.006 0.000 0.980 1147 S CA 0.678 58.871 58.200 -0.012 0.000 0.941 1147 S CB -0.444 62.754 63.200 -0.004 0.000 0.763 1147 S HN 0.616 nan 8.310 nan 0.000 0.532 1148 G N 1.076 109.867 108.800 -0.014 0.000 2.656 1148 G HA2 0.257 4.213 3.960 -0.006 0.000 0.211 1148 G HA3 0.257 4.213 3.960 -0.006 0.000 0.211 1148 G C 0.356 175.254 174.900 -0.003 0.000 1.137 1148 G CA -0.392 44.705 45.100 -0.005 0.000 0.802 1148 G HN 0.461 nan 8.290 nan 0.000 0.527 1149 I N 0.961 121.517 120.570 -0.023 0.000 2.452 1149 I HA 0.227 4.393 4.170 -0.006 0.000 0.287 1149 I C 1.596 177.728 176.117 0.025 0.000 1.079 1149 I CA -0.219 61.071 61.300 -0.016 0.000 1.387 1149 I CB 1.533 39.501 38.000 -0.053 0.000 1.404 1149 I HN -0.028 nan 8.210 nan 0.000 0.522 1150 R N 3.993 124.538 120.500 0.075 0.000 2.148 1150 R HA 0.160 4.496 4.340 -0.006 0.000 0.223 1150 R C 0.656 177.001 176.300 0.075 0.000 1.088 1150 R CA 0.677 56.834 56.100 0.097 0.000 0.985 1150 R CB 0.254 30.667 30.300 0.188 0.000 0.880 1150 R HN 0.936 nan 8.270 nan 0.000 0.451 1151 G N -0.858 107.975 108.800 0.054 0.000 2.523 1151 G HA2 0.401 4.358 3.960 -0.006 0.000 0.291 1151 G HA3 0.401 4.358 3.960 -0.006 0.000 0.291 1151 G C -1.423 173.471 174.900 -0.010 0.000 1.450 1151 G CA -0.828 44.285 45.100 0.021 0.000 0.790 1151 G HN 0.009 nan 8.290 nan 0.000 0.496 1152 I N -0.259 120.293 120.570 -0.029 0.000 2.957 1152 I HA 0.699 4.865 4.170 -0.006 0.000 0.310 1152 I C -0.239 175.840 176.117 -0.063 0.000 1.063 1152 I CA -1.061 60.211 61.300 -0.047 0.000 1.033 1152 I CB 2.428 40.406 38.000 -0.036 0.000 1.230 1152 I HN 0.383 nan 8.210 nan 0.000 0.447 1153 S N 2.111 117.772 115.700 -0.065 0.000 2.779 1153 S HA 0.381 4.848 4.470 -0.006 0.000 0.293 1153 S C -1.084 173.487 174.600 -0.048 0.000 1.150 1153 S CA -0.374 57.794 58.200 -0.053 0.000 1.057 1153 S CB 1.266 64.445 63.200 -0.035 0.000 1.021 1153 S HN 0.523 nan 8.310 nan 0.000 0.485 1154 E N 2.148 122.321 120.200 -0.046 0.000 2.222 1154 E HA 0.392 4.739 4.350 -0.006 0.000 0.267 1154 E C -0.011 176.591 176.600 0.003 0.000 0.884 1154 E CA -0.580 55.799 56.400 -0.035 0.000 0.764 1154 E CB 0.988 30.646 29.700 -0.070 0.000 1.169 1154 E HN 0.709 nan 8.360 nan 0.000 0.413 1155 E N 1.551 121.772 120.200 0.036 0.000 2.660 1155 E HA 0.163 4.510 4.350 -0.006 0.000 0.216 1155 E C -0.270 176.372 176.600 0.071 0.000 0.986 1155 E CA -0.361 56.082 56.400 0.072 0.000 1.037 1155 E CB 0.533 30.308 29.700 0.126 0.000 1.041 1155 E HN 0.355 nan 8.360 nan 0.000 0.480 1156 T N -2.558 112.021 114.554 0.041 0.000 2.907 1156 T HA 0.291 4.637 4.350 -0.006 0.000 0.292 1156 T C 0.994 175.677 174.700 -0.029 0.000 1.043 1156 T CA -0.179 61.940 62.100 0.032 0.000 1.003 1156 T CB 1.818 70.719 68.868 0.056 0.000 1.084 1156 T HN -0.075 nan 8.240 nan 0.000 0.483 1157 T N 1.781 116.291 114.554 -0.074 0.000 2.622 1157 T HA -0.119 4.228 4.350 -0.006 0.000 0.266 1157 T C 2.046 176.554 174.700 -0.319 0.000 1.047 1157 T CA 2.110 64.055 62.100 -0.259 0.000 1.159 1157 T CB -1.114 67.583 68.868 -0.285 0.000 0.863 1157 T HN 0.811 nan 8.240 nan 0.000 0.422 1158 T N 1.604 116.083 114.554 -0.124 0.000 2.570 1158 T HA -0.149 4.197 4.350 -0.006 0.000 0.266 1158 T C 2.297 177.010 174.700 0.023 0.000 1.071 1158 T CA 1.668 63.772 62.100 0.006 0.000 1.172 1158 T CB -1.262 67.652 68.868 0.076 0.000 0.864 1158 T HN 0.555 nan 8.240 nan 0.000 0.421 1159 G N 0.944 109.747 108.800 0.006 0.000 2.513 1159 G HA2 -0.234 3.722 3.960 -0.006 0.000 0.219 1159 G HA3 -0.234 3.722 3.960 -0.006 0.000 0.219 1159 G C 1.706 176.592 174.900 -0.024 0.000 1.160 1159 G CA 1.320 46.417 45.100 -0.006 0.000 0.767 1159 G HN 0.480 nan 8.290 nan 0.000 0.571 1160 V N -0.049 119.842 119.914 -0.038 0.000 2.548 1160 V HA -0.134 3.983 4.120 -0.006 0.000 0.249 1160 V C 2.321 178.484 176.094 0.114 0.000 1.055 1160 V CA 1.947 64.213 62.300 -0.056 0.000 1.065 1160 V CB -0.800 31.005 31.823 -0.030 0.000 0.681 1160 V HN 0.533 nan 8.190 nan 0.000 0.462 1161 H N 0.435 119.566 119.070 0.101 0.000 2.293 1161 H HA -0.211 4.341 4.556 -0.006 0.000 0.300 1161 H C 2.470 177.851 175.328 0.089 0.000 1.082 1161 H CA 1.759 57.890 56.048 0.140 0.000 1.308 1161 H CB 0.026 29.838 29.762 0.083 0.000 1.375 1161 H HN 0.522 nan 8.280 nan 0.000 0.495 1162 N N 1.115 119.918 118.700 0.172 0.000 2.149 1162 N HA -0.154 4.582 4.740 -0.006 0.000 0.188 1162 N C 1.909 177.419 175.510 -0.000 0.000 1.019 1162 N CA 0.921 54.010 53.050 0.065 0.000 0.857 1162 N CB -0.466 38.042 38.487 0.034 0.000 0.997 1162 N HN 0.306 nan 8.380 nan 0.000 0.426 1163 L N -0.968 120.226 121.223 -0.047 0.000 2.012 1163 L HA -0.202 4.135 4.340 -0.006 0.000 0.210 1163 L C 1.734 178.509 176.870 -0.159 0.000 1.073 1163 L CA 1.324 56.067 54.840 -0.162 0.000 0.748 1163 L CB -0.431 41.468 42.059 -0.268 0.000 0.891 1163 L HN 0.259 nan 8.230 nan 0.000 0.431 1164 Y N -0.034 120.240 120.300 -0.044 0.000 2.293 1164 Y HA -0.250 4.296 4.550 -0.006 0.000 0.291 1164 Y C 2.577 178.446 175.900 -0.053 0.000 1.137 1164 Y CA 1.274 59.342 58.100 -0.055 0.000 1.202 1164 Y CB -0.327 38.115 38.460 -0.030 0.000 0.990 1164 Y HN 0.148 nan 8.280 nan 0.000 0.537 1165 K N 0.696 121.160 120.400 0.107 0.000 2.001 1165 K HA -0.175 4.142 4.320 -0.006 0.000 0.208 1165 K C 1.887 178.486 176.600 -0.003 0.000 1.048 1165 K CA 1.754 58.065 56.287 0.039 0.000 0.932 1165 K CB -0.567 31.947 32.500 0.024 0.000 0.715 1165 K HN 0.304 nan 8.250 nan 0.000 0.437 1166 M N 0.492 120.067 119.600 -0.042 0.000 2.082 1166 M HA -0.219 4.257 4.480 -0.006 0.000 0.258 1166 M C 2.520 178.780 176.300 -0.068 0.000 1.069 1166 M CA 2.086 57.334 55.300 -0.087 0.000 1.102 1166 M CB -0.437 32.052 32.600 -0.185 0.000 1.336 1166 M HN 0.178 nan 8.290 nan 0.000 0.404 1167 M N 0.918 120.481 119.600 -0.062 0.000 2.082 1167 M HA -0.154 4.323 4.480 -0.006 0.000 0.258 1167 M C 2.189 178.484 176.300 -0.008 0.000 1.069 1167 M CA 2.271 57.548 55.300 -0.038 0.000 1.102 1167 M CB -0.661 31.917 32.600 -0.036 0.000 1.336 1167 M HN 0.244 nan 8.290 nan 0.000 0.404 1168 A N -0.074 122.752 122.820 0.010 0.000 2.024 1168 A HA -0.145 4.172 4.320 -0.006 0.000 0.220 1168 A C 1.483 179.067 177.584 0.000 0.000 1.164 1168 A CA 1.904 53.947 52.037 0.010 0.000 0.643 1168 A CB -0.937 18.071 19.000 0.013 0.000 0.806 1168 A HN 0.720 nan 8.150 nan 0.000 0.451 1169 N N -0.747 117.949 118.700 -0.007 0.000 2.276 1169 N HA 0.225 4.961 4.740 -0.006 0.000 0.212 1169 N C 1.098 176.604 175.510 -0.006 0.000 1.127 1169 N CA 0.787 53.832 53.050 -0.007 0.000 0.834 1169 N CB 0.201 38.681 38.487 -0.011 0.000 1.014 1169 N HN 0.552 nan 8.380 nan 0.000 0.491 1170 G N 1.160 109.956 108.800 -0.005 0.000 2.186 1170 G HA2 -0.338 3.618 3.960 -0.006 0.000 0.266 1170 G HA3 -0.338 3.618 3.960 -0.006 0.000 0.266 1170 G C 1.001 175.902 174.900 0.003 0.000 0.982 1170 G CA 0.781 45.883 45.100 0.002 0.000 0.670 1170 G HN 0.454 nan 8.290 nan 0.000 0.533 1171 I N -0.237 120.323 120.570 -0.017 0.000 2.286 1171 I HA 0.065 4.232 4.170 -0.006 0.000 0.245 1171 I C 1.754 177.850 176.117 -0.036 0.000 1.104 1171 I CA 0.292 61.578 61.300 -0.022 0.000 1.397 1171 I CB -0.205 37.754 38.000 -0.069 0.000 1.072 1171 I HN 0.172 nan 8.210 nan 0.000 0.417 1172 L N 3.537 124.704 121.223 -0.095 0.000 2.584 1172 L HA -0.057 4.279 4.340 -0.006 0.000 0.272 1172 L C 0.934 177.851 176.870 0.079 0.000 1.195 1172 L CA 0.937 55.728 54.840 -0.082 0.000 0.920 1172 L CB 0.426 42.430 42.059 -0.092 0.000 1.173 1172 L HN 0.352 nan 8.230 nan 0.000 0.489 1173 K N 4.142 124.692 120.400 0.250 0.000 2.399 1173 K HA 0.130 4.447 4.320 -0.006 0.000 0.196 1173 K C 0.142 176.815 176.600 0.121 0.000 1.103 1173 K CA 0.166 56.551 56.287 0.163 0.000 0.986 1173 K CB 0.846 33.429 32.500 0.139 0.000 0.952 1173 K HN 0.446 nan 8.250 nan 0.000 0.541 1174 V N 4.250 124.257 119.914 0.156 0.000 2.495 1174 V HA 0.382 4.498 4.120 -0.006 0.000 0.298 1174 V C -2.780 173.365 176.094 0.085 0.000 1.031 1174 V CA -2.697 59.658 62.300 0.091 0.000 0.871 1174 V CB 1.954 33.808 31.823 0.052 0.000 0.988 1174 V HN -0.052 nan 8.190 nan 0.000 0.432 1175 P HA 0.310 nan 4.420 nan 0.000 0.267 1175 P C -0.667 176.669 177.300 0.059 0.000 1.200 1175 P CA 0.196 63.368 63.100 0.119 0.000 0.772 1175 P CB 1.072 32.883 31.700 0.185 0.000 0.855 1176 A N 3.278 126.125 122.820 0.046 0.000 2.386 1176 A HA 0.790 5.106 4.320 -0.006 0.000 0.308 1176 A C -0.731 176.828 177.584 -0.042 0.000 1.128 1176 A CA -0.882 51.130 52.037 -0.042 0.000 0.789 1176 A CB 1.285 20.215 19.000 -0.117 0.000 1.325 1176 A HN 0.491 nan 8.150 nan 0.000 0.437 1177 I N 1.915 122.423 120.570 -0.104 0.000 2.439 1177 I HA 0.170 4.337 4.170 -0.006 0.000 0.283 1177 I C -0.707 175.356 176.117 -0.090 0.000 1.023 1177 I CA -0.651 60.585 61.300 -0.107 0.000 1.100 1177 I CB 1.781 39.684 38.000 -0.163 0.000 1.238 1177 I HN 0.730 nan 8.210 nan 0.000 0.445 1178 N N 6.348 124.980 118.700 -0.113 0.000 2.402 1178 N HA 0.052 4.789 4.740 -0.006 0.000 0.259 1178 N C 0.216 175.765 175.510 0.064 0.000 1.167 1178 N CA 0.267 53.267 53.050 -0.084 0.000 0.949 1178 N CB 1.260 39.619 38.487 -0.212 0.000 1.212 1178 N HN 0.408 nan 8.380 nan 0.000 0.493 1179 V N 3.527 123.474 119.914 0.056 0.000 3.608 1179 V HA 0.010 4.127 4.120 -0.006 0.000 0.269 1179 V C 1.812 177.969 176.094 0.105 0.000 1.245 1179 V CA 0.368 62.722 62.300 0.090 0.000 1.138 1179 V CB -0.676 31.186 31.823 0.066 0.000 0.841 1179 V HN 0.673 nan 8.190 nan 0.000 0.451 1180 N N 0.804 119.563 118.700 0.099 0.000 2.309 1180 N HA -0.129 4.608 4.740 -0.006 0.000 0.182 1180 N C 1.329 176.913 175.510 0.123 0.000 1.018 1180 N CA 1.507 54.614 53.050 0.095 0.000 0.876 1180 N CB -0.044 38.484 38.487 0.067 0.000 0.972 1180 N HN 0.418 nan 8.380 nan 0.000 0.434 1181 D N -0.268 120.252 120.400 0.199 0.000 2.325 1181 D HA 0.086 4.722 4.640 -0.006 0.000 0.225 1181 D C -0.279 176.111 176.300 0.150 0.000 1.096 1181 D CA 0.092 54.227 54.000 0.225 0.000 0.844 1181 D CB 0.213 41.289 40.800 0.461 0.000 0.925 1181 D HN 0.140 nan 8.370 nan 0.000 0.513 1182 S N 0.106 115.882 115.700 0.128 0.000 2.579 1182 S HA 0.012 4.478 4.470 -0.006 0.000 0.275 1182 S C 1.790 176.409 174.600 0.031 0.000 1.345 1182 S CA -0.473 57.772 58.200 0.074 0.000 1.031 1182 S CB 2.227 65.468 63.200 0.068 0.000 0.892 1182 S HN 0.166 nan 8.310 nan 0.000 0.529 1183 V N 1.757 121.657 119.914 -0.023 0.000 2.591 1183 V HA -0.099 4.017 4.120 -0.006 0.000 0.249 1183 V C 1.998 178.083 176.094 -0.016 0.000 1.053 1183 V CA 2.083 64.347 62.300 -0.061 0.000 1.068 1183 V CB -1.444 30.246 31.823 -0.221 0.000 0.689 1183 V HN 1.028 nan 8.190 nan 0.000 0.462 1184 T N -2.795 111.761 114.554 0.004 0.000 2.951 1184 T HA -0.063 4.283 4.350 -0.006 0.000 0.268 1184 T C 1.930 176.715 174.700 0.142 0.000 1.073 1184 T CA 1.331 63.490 62.100 0.098 0.000 1.134 1184 T CB -0.275 68.586 68.868 -0.012 0.000 0.884 1184 T HN 0.451 nan 8.240 nan 0.000 0.479 1185 K N 1.959 122.400 120.400 0.069 0.000 2.029 1185 K HA -0.007 4.309 4.320 -0.006 0.000 0.205 1185 K C 2.779 179.427 176.600 0.081 0.000 1.042 1185 K CA 1.708 58.033 56.287 0.064 0.000 0.949 1185 K CB -0.782 31.753 32.500 0.058 0.000 0.740 1185 K HN 0.514 nan 8.250 nan 0.000 0.442 1186 S N 1.597 117.328 115.700 0.052 0.000 2.353 1186 S HA -0.127 4.339 4.470 -0.006 0.000 0.222 1186 S C 1.945 176.521 174.600 -0.039 0.000 1.035 1186 S CA 1.037 59.245 58.200 0.014 0.000 1.025 1186 S CB -0.377 62.826 63.200 0.005 0.000 0.902 1186 S HN 0.219 nan 8.310 nan 0.000 0.440 1187 K N 0.348 120.709 120.400 -0.064 0.000 2.113 1187 K HA -0.045 4.271 4.320 -0.006 0.000 0.208 1187 K C 1.817 178.243 176.600 -0.290 0.000 1.047 1187 K CA 1.383 57.525 56.287 -0.242 0.000 0.928 1187 K CB -0.466 31.901 32.500 -0.223 0.000 0.716 1187 K HN 0.485 nan 8.250 nan 0.000 0.446 1188 F N 1.132 121.067 119.950 -0.026 0.000 2.219 1188 F HA -0.103 4.419 4.527 -0.009 0.000 0.294 1188 F C 2.326 178.027 175.800 -0.164 0.000 1.086 1188 F CA 1.073 59.078 58.000 0.008 0.000 1.330 1188 F CB -0.308 38.681 39.000 -0.019 0.000 1.047 1188 F HN 0.019 nan 8.300 nan 0.000 0.495 1189 D N -0.083 120.339 120.400 0.036 0.000 2.097 1189 D HA -0.154 4.482 4.640 -0.006 0.000 0.195 1189 D C 1.743 177.990 176.300 -0.089 0.000 0.989 1189 D CA 1.523 55.496 54.000 -0.045 0.000 0.827 1189 D CB -0.123 40.705 40.800 0.047 0.000 0.966 1189 D HN 0.108 nan 8.370 nan 0.000 0.456 1190 N N 0.068 118.718 118.700 -0.084 0.000 2.240 1190 N HA -0.059 4.677 4.740 -0.006 0.000 0.187 1190 N C 1.747 177.152 175.510 -0.176 0.000 1.042 1190 N CA 0.110 53.103 53.050 -0.095 0.000 0.861 1190 N CB -0.756 37.676 38.487 -0.092 0.000 1.026 1190 N HN 0.153 nan 8.380 nan 0.000 0.441 1191 L N 0.949 121.993 121.223 -0.298 0.000 1.950 1191 L HA -0.084 4.253 4.340 -0.006 0.000 0.210 1191 L C 2.126 178.772 176.870 -0.373 0.000 1.079 1191 L CA 1.889 56.471 54.840 -0.430 0.000 0.754 1191 L CB -1.373 40.243 42.059 -0.738 0.000 0.889 1191 L HN 0.074 nan 8.230 nan 0.000 0.433 1192 Y N 0.316 120.456 120.300 -0.265 0.000 2.224 1192 Y HA -0.081 4.468 4.550 -0.003 0.000 0.289 1192 Y C 2.568 178.370 175.900 -0.163 0.000 1.146 1192 Y CA 0.946 58.898 58.100 -0.247 0.000 1.182 1192 Y CB -1.441 36.748 38.460 -0.450 0.000 0.983 1192 Y HN 0.267 nan 8.280 nan 0.000 0.524 1193 G N -0.827 107.891 108.800 -0.136 0.000 2.484 1193 G HA2 -0.245 3.712 3.960 -0.006 0.000 0.215 1193 G HA3 -0.245 3.712 3.960 -0.006 0.000 0.215 1193 G C 1.741 176.639 174.900 -0.004 0.000 1.219 1193 G CA 1.348 46.228 45.100 -0.366 0.000 0.791 1193 G HN 0.475 nan 8.290 nan 0.000 0.550 1194 C N 0.004 119.340 119.300 0.060 0.000 2.410 1194 C HA 0.067 4.523 4.460 -0.006 0.000 0.281 1194 C C 2.771 177.811 174.990 0.084 0.000 1.318 1194 C CA 0.666 59.774 59.018 0.150 0.000 1.776 1194 C CB -1.022 26.770 27.740 0.088 0.000 1.942 1194 C HN 0.522 nan 8.230 nan 0.000 0.508 1195 R N 1.029 121.557 120.500 0.047 0.000 2.081 1195 R HA -0.122 4.215 4.340 -0.006 0.000 0.235 1195 R C 2.213 178.571 176.300 0.097 0.000 1.131 1195 R CA 1.407 57.543 56.100 0.060 0.000 0.960 1195 R CB -0.092 30.243 30.300 0.058 0.000 0.856 1195 R HN 0.606 nan 8.270 nan 0.000 0.436 1196 E N -0.126 120.139 120.200 0.109 0.000 2.033 1196 E HA -0.093 4.253 4.350 -0.006 0.000 0.189 1196 E C 1.979 178.656 176.600 0.129 0.000 0.979 1196 E CA 1.570 58.041 56.400 0.119 0.000 0.802 1196 E CB -0.116 29.655 29.700 0.118 0.000 0.763 1196 E HN 0.397 nan 8.360 nan 0.000 0.449 1197 S N 1.713 117.500 115.700 0.146 0.000 2.436 1197 S HA -0.082 4.384 4.470 -0.006 0.000 0.228 1197 S C 2.104 176.754 174.600 0.083 0.000 1.014 1197 S CA 0.428 58.699 58.200 0.119 0.000 0.950 1197 S CB -0.383 62.895 63.200 0.130 0.000 0.784 1197 S HN 0.118 nan 8.310 nan 0.000 0.504 1198 L N 2.759 124.033 121.223 0.084 0.000 1.963 1198 L HA -0.126 4.210 4.340 -0.006 0.000 0.220 1198 L C 2.123 179.019 176.870 0.042 0.000 1.076 1198 L CA 1.924 56.798 54.840 0.056 0.000 0.772 1198 L CB -0.877 41.215 42.059 0.054 0.000 0.892 1198 L HN 0.278 nan 8.230 nan 0.000 0.435 1199 I N -0.361 120.244 120.570 0.057 0.000 2.454 1199 I HA -0.243 3.923 4.170 -0.006 0.000 0.254 1199 I C 2.214 178.326 176.117 -0.009 0.000 1.156 1199 I CA 1.472 62.773 61.300 0.001 0.000 1.433 1199 I CB -1.283 36.733 38.000 0.027 0.000 1.082 1199 I HN 0.441 nan 8.210 nan 0.000 0.432 1200 D N 1.386 121.809 120.400 0.038 0.000 2.117 1200 D HA -0.124 4.512 4.640 -0.006 0.000 0.197 1200 D C 2.207 178.516 176.300 0.016 0.000 0.987 1200 D CA 1.626 55.647 54.000 0.034 0.000 0.829 1200 D CB -0.166 40.667 40.800 0.056 0.000 0.961 1200 D HN 0.313 nan 8.370 nan 0.000 0.460 1201 G N 0.897 109.707 108.800 0.017 0.000 2.484 1201 G HA2 -0.227 3.730 3.960 -0.006 0.000 0.215 1201 G HA3 -0.227 3.730 3.960 -0.006 0.000 0.215 1201 G C 1.937 176.838 174.900 0.003 0.000 1.219 1201 G CA 0.924 46.032 45.100 0.013 0.000 0.791 1201 G HN 0.353 nan 8.290 nan 0.000 0.550 1202 I N 0.492 121.058 120.570 -0.007 0.000 2.194 1202 I HA -0.217 3.950 4.170 -0.006 0.000 0.246 1202 I C 2.834 178.930 176.117 -0.036 0.000 1.093 1202 I CA 1.267 62.555 61.300 -0.019 0.000 1.355 1202 I CB -0.163 37.813 38.000 -0.039 0.000 1.046 1202 I HN 0.038 nan 8.210 nan 0.000 0.413 1203 K N 0.728 121.094 120.400 -0.057 0.000 2.057 1203 K HA -0.087 4.229 4.320 -0.006 0.000 0.206 1203 K C 2.188 178.772 176.600 -0.027 0.000 1.050 1203 K CA 1.298 57.547 56.287 -0.062 0.000 0.935 1203 K CB -0.376 32.075 32.500 -0.082 0.000 0.715 1203 K HN 0.352 nan 8.250 nan 0.000 0.439 1204 R N 0.188 120.681 120.500 -0.011 0.000 2.148 1204 R HA -0.034 4.303 4.340 -0.006 0.000 0.227 1204 R C 2.156 178.458 176.300 0.003 0.000 1.103 1204 R CA 1.121 57.222 56.100 0.001 0.000 0.983 1204 R CB -0.113 30.194 30.300 0.011 0.000 0.874 1204 R HN 0.149 nan 8.270 nan 0.000 0.451 1205 A N -0.016 122.806 122.820 0.002 0.000 1.943 1205 A HA -0.069 4.247 4.320 -0.006 0.000 0.213 1205 A C 2.009 179.596 177.584 0.004 0.000 1.181 1205 A CA 1.520 53.561 52.037 0.007 0.000 0.653 1205 A CB -0.024 18.986 19.000 0.016 0.000 0.833 1205 A HN 0.420 nan 8.150 nan 0.000 0.451 1206 T N -6.168 108.384 114.554 -0.003 0.000 2.964 1206 T HA 0.161 4.507 4.350 -0.006 0.000 0.249 1206 T C 0.211 174.903 174.700 -0.014 0.000 1.000 1206 T CA 0.791 62.888 62.100 -0.005 0.000 0.992 1206 T CB 0.143 69.010 68.868 -0.002 0.000 1.087 1206 T HN 0.228 nan 8.240 nan 0.000 0.489 1207 D N 0.686 121.071 120.400 -0.024 0.000 2.837 1207 D HA -0.118 4.519 4.640 -0.006 0.000 0.230 1207 D C -0.214 176.064 176.300 -0.036 0.000 1.152 1207 D CA 0.414 54.397 54.000 -0.029 0.000 0.736 1207 D CB -1.655 39.136 40.800 -0.015 0.000 1.084 1207 D HN 0.496 nan 8.370 nan 0.000 0.429 1208 V N 0.824 120.709 119.914 -0.048 0.000 2.546 1208 V HA 0.304 4.421 4.120 -0.006 0.000 0.284 1208 V C 0.754 176.803 176.094 -0.075 0.000 1.050 1208 V CA -0.587 61.685 62.300 -0.047 0.000 0.981 1208 V CB 1.606 33.408 31.823 -0.035 0.000 0.990 1208 V HN 0.234 nan 8.190 nan 0.000 0.474 1209 M N 6.542 126.110 119.600 -0.052 0.000 2.238 1209 M HA 0.190 4.666 4.480 -0.006 0.000 0.350 1209 M C 0.327 176.586 176.300 -0.067 0.000 1.321 1209 M CA 0.250 55.518 55.300 -0.053 0.000 1.097 1209 M CB 0.559 33.149 32.600 -0.016 0.000 1.713 1209 M HN 0.600 nan 8.290 nan 0.000 0.455 1210 I N 3.513 124.020 120.570 -0.105 0.000 2.867 1210 I HA 0.145 4.312 4.170 -0.006 0.000 0.265 1210 I C 1.271 177.398 176.117 0.017 0.000 1.162 1210 I CA 0.466 61.716 61.300 -0.083 0.000 1.471 1210 I CB -1.754 36.122 38.000 -0.208 0.000 1.123 1210 I HN 0.800 nan 8.210 nan 0.000 0.440 1211 A N 0.555 123.413 122.820 0.063 0.000 2.520 1211 A HA 0.380 4.696 4.320 -0.006 0.000 0.235 1211 A C 1.580 179.188 177.584 0.041 0.000 1.065 1211 A CA 0.791 52.875 52.037 0.079 0.000 0.764 1211 A CB -0.433 18.622 19.000 0.091 0.000 1.002 1211 A HN 0.783 nan 8.150 nan 0.000 0.502 1212 G N 0.725 109.547 108.800 0.037 0.000 2.189 1212 G HA2 -0.253 3.704 3.960 -0.006 0.000 0.267 1212 G HA3 -0.253 3.704 3.960 -0.006 0.000 0.267 1212 G C 0.328 175.234 174.900 0.011 0.000 0.975 1212 G CA 1.064 46.177 45.100 0.021 0.000 0.644 1212 G HN 0.858 nan 8.290 nan 0.000 0.537 1213 K N -0.403 120.002 120.400 0.009 0.000 2.123 1213 K HA 0.631 4.947 4.320 -0.006 0.000 0.248 1213 K C -0.057 176.530 176.600 -0.021 0.000 0.969 1213 K CA -0.778 55.504 56.287 -0.009 0.000 0.882 1213 K CB 2.168 34.659 32.500 -0.016 0.000 1.080 1213 K HN -0.010 nan 8.250 nan 0.000 0.441 1214 V N 2.098 121.983 119.914 -0.048 0.000 2.350 1214 V HA 0.375 4.492 4.120 -0.006 0.000 0.276 1214 V C -0.364 175.638 176.094 -0.153 0.000 1.028 1214 V CA -0.717 61.535 62.300 -0.080 0.000 0.860 1214 V CB 1.011 32.784 31.823 -0.084 0.000 0.990 1214 V HN 0.822 nan 8.190 nan 0.000 0.453 1215 A N 5.191 127.925 122.820 -0.142 0.000 2.303 1215 A HA 0.785 5.101 4.320 -0.006 0.000 0.320 1215 A C -0.652 176.785 177.584 -0.245 0.000 1.192 1215 A CA -0.506 51.411 52.037 -0.200 0.000 0.821 1215 A CB 1.322 20.263 19.000 -0.098 0.000 1.188 1215 A HN 0.627 nan 8.150 nan 0.000 0.492 1216 V N 3.833 123.499 119.914 -0.414 0.000 2.333 1216 V HA 0.315 4.432 4.120 -0.006 0.000 0.274 1216 V C -0.229 175.757 176.094 -0.180 0.000 1.028 1216 V CA -0.394 61.706 62.300 -0.333 0.000 0.851 1216 V CB 1.188 32.703 31.823 -0.514 0.000 1.000 1216 V HN 0.599 nan 8.190 nan 0.000 0.456 1217 V N 4.598 124.443 119.914 -0.114 0.000 2.347 1217 V HA 0.592 4.708 4.120 -0.006 0.000 0.280 1217 V C 0.631 176.705 176.094 -0.032 0.000 1.021 1217 V CA -0.631 61.633 62.300 -0.060 0.000 0.847 1217 V CB 1.481 33.262 31.823 -0.070 0.000 0.990 1217 V HN 0.918 nan 8.190 nan 0.000 0.444 1218 A N 4.350 127.168 122.820 -0.003 0.000 2.376 1218 A HA 0.741 5.057 4.320 -0.006 0.000 0.298 1218 A C 0.791 178.381 177.584 0.010 0.000 1.271 1218 A CA 0.499 52.538 52.037 0.003 0.000 0.926 1218 A CB -0.411 18.595 19.000 0.010 0.000 1.141 1218 A HN 1.975 nan 8.150 nan 0.000 0.539 1219 G N 0.667 109.480 108.800 0.022 0.000 2.906 1219 G HA2 0.009 3.966 3.960 -0.006 0.000 0.686 1219 G HA3 0.009 3.966 3.960 -0.006 0.000 0.686 1219 G C -0.756 174.194 174.900 0.083 0.000 1.170 1219 G CA -0.310 44.813 45.100 0.038 0.000 0.775 1219 G HN 1.391 nan 8.290 nan 0.000 0.630 1220 Y N 2.548 122.808 120.300 -0.067 0.000 2.699 1220 Y HA 0.525 5.071 4.550 -0.006 0.000 0.282 1220 Y C 1.278 177.140 175.900 -0.064 0.000 1.058 1220 Y CA 0.287 58.337 58.100 -0.083 0.000 1.194 1220 Y CB 0.071 38.483 38.460 -0.080 0.000 1.193 1220 Y HN 0.939 nan 8.280 nan 0.000 0.562 1221 G N 0.037 108.753 108.800 -0.140 0.000 2.504 1221 G HA2 -0.009 3.947 3.960 -0.006 0.000 0.257 1221 G HA3 -0.009 3.947 3.960 -0.006 0.000 0.257 1221 G C 0.506 175.248 174.900 -0.264 0.000 1.451 1221 G CA 0.037 45.043 45.100 -0.157 0.000 1.059 1221 G HN 0.214 nan 8.290 nan 0.000 0.550 1222 D N -1.239 119.041 120.400 -0.201 0.000 2.123 1222 D HA -0.125 4.511 4.640 -0.006 0.000 0.196 1222 D C 2.679 178.839 176.300 -0.234 0.000 0.992 1222 D CA 0.795 54.653 54.000 -0.236 0.000 0.833 1222 D CB -0.278 40.410 40.800 -0.187 0.000 0.954 1222 D HN 0.046 nan 8.370 nan 0.000 0.455 1223 V N 0.530 120.346 119.914 -0.163 0.000 2.307 1223 V HA -0.121 3.996 4.120 -0.006 0.000 0.245 1223 V C 2.523 178.532 176.094 -0.142 0.000 1.045 1223 V CA 1.989 64.216 62.300 -0.121 0.000 1.024 1223 V CB -0.953 30.833 31.823 -0.061 0.000 0.651 1223 V HN 0.256 nan 8.190 nan 0.000 0.449 1224 G N -0.527 108.177 108.800 -0.160 0.000 2.442 1224 G HA2 -0.285 3.672 3.960 -0.006 0.000 0.219 1224 G HA3 -0.285 3.672 3.960 -0.006 0.000 0.219 1224 G C 1.675 176.411 174.900 -0.274 0.000 1.141 1224 G CA 1.042 46.048 45.100 -0.157 0.000 0.763 1224 G HN 0.457 nan 8.290 nan 0.000 0.554 1225 K N -0.081 120.024 120.400 -0.491 0.000 2.026 1225 K HA -0.031 4.286 4.320 -0.006 0.000 0.208 1225 K C 2.773 179.224 176.600 -0.250 0.000 1.048 1225 K CA 1.138 57.077 56.287 -0.581 0.000 0.929 1225 K CB -0.448 31.691 32.500 -0.602 0.000 0.713 1225 K HN 0.263 nan 8.250 nan 0.000 0.439 1226 G N 0.462 109.136 108.800 -0.209 0.000 2.402 1226 G HA2 -0.246 3.711 3.960 -0.006 0.000 0.216 1226 G HA3 -0.246 3.711 3.960 -0.006 0.000 0.216 1226 G C 1.611 176.482 174.900 -0.047 0.000 1.162 1226 G CA 0.962 45.992 45.100 -0.117 0.000 0.777 1226 G HN 0.333 nan 8.290 nan 0.000 0.539 1227 C N 0.876 120.142 119.300 -0.056 0.000 2.429 1227 C HA 0.188 4.645 4.460 -0.006 0.000 0.277 1227 C C 3.542 178.526 174.990 -0.010 0.000 1.262 1227 C CA 0.851 59.859 59.018 -0.017 0.000 1.733 1227 C CB -0.923 26.801 27.740 -0.027 0.000 2.010 1227 C HN 0.565 nan 8.230 nan 0.000 0.483 1228 A N -0.231 122.555 122.820 -0.057 0.000 1.877 1228 A HA -0.278 4.038 4.320 -0.006 0.000 0.216 1228 A C 2.144 179.769 177.584 0.068 0.000 1.186 1228 A CA 1.981 53.965 52.037 -0.087 0.000 0.620 1228 A CB -0.839 17.981 19.000 -0.300 0.000 0.822 1228 A HN 0.719 nan 8.150 nan 0.000 0.443 1229 Q N -0.648 119.210 119.800 0.095 0.000 2.061 1229 Q HA -0.171 4.166 4.340 -0.006 0.000 0.204 1229 Q C 2.282 178.348 176.000 0.110 0.000 0.984 1229 Q CA 1.747 57.637 55.803 0.146 0.000 0.846 1229 Q CB -0.379 28.413 28.738 0.091 0.000 0.902 1229 Q HN 0.625 nan 8.270 nan 0.000 0.421 1230 A N 0.757 123.632 122.820 0.091 0.000 1.859 1230 A HA -0.234 4.082 4.320 -0.006 0.000 0.217 1230 A C 2.065 179.769 177.584 0.200 0.000 1.198 1230 A CA 1.734 53.846 52.037 0.125 0.000 0.629 1230 A CB -1.044 18.034 19.000 0.131 0.000 0.830 1230 A HN 0.453 nan 8.150 nan 0.000 0.446 1231 L N -1.140 120.193 121.223 0.182 0.000 2.042 1231 L HA -0.209 4.127 4.340 -0.006 0.000 0.210 1231 L C 2.800 179.791 176.870 0.201 0.000 1.076 1231 L CA 1.895 56.858 54.840 0.204 0.000 0.749 1231 L CB -0.470 41.650 42.059 0.102 0.000 0.893 1231 L HN 0.496 nan 8.230 nan 0.000 0.432 1232 R N 0.319 120.922 120.500 0.171 0.000 2.105 1232 R HA -0.159 4.177 4.340 -0.006 0.000 0.239 1232 R C 2.167 178.521 176.300 0.091 0.000 1.135 1232 R CA 1.519 57.714 56.100 0.158 0.000 0.967 1232 R CB -0.509 29.924 30.300 0.222 0.000 0.861 1232 R HN 0.400 nan 8.270 nan 0.000 0.442 1233 G N -0.814 108.014 108.800 0.047 0.000 2.509 1233 G HA2 -0.198 3.759 3.960 -0.006 0.000 0.218 1233 G HA3 -0.198 3.759 3.960 -0.006 0.000 0.218 1233 G C 0.862 175.660 174.900 -0.171 0.000 1.124 1233 G CA 0.139 45.191 45.100 -0.081 0.000 0.776 1233 G HN 0.291 nan 8.290 nan 0.000 0.547 1234 F N 0.362 120.327 119.950 0.026 0.000 2.765 1234 F HA 0.332 4.857 4.527 -0.003 0.000 0.302 1234 F C 1.939 177.748 175.800 0.015 0.000 1.111 1234 F CA 0.314 58.325 58.000 0.019 0.000 1.359 1234 F CB 0.631 39.642 39.000 0.018 0.000 1.097 1234 F HN 0.237 nan 8.300 nan 0.000 0.577 1235 G N 0.167 109.058 108.800 0.152 0.000 2.134 1235 G HA2 -0.024 3.933 3.960 -0.006 0.000 0.209 1235 G HA3 -0.024 3.933 3.960 -0.006 0.000 0.209 1235 G C 0.174 175.128 174.900 0.089 0.000 0.993 1235 G CA -0.167 44.992 45.100 0.099 0.000 0.669 1235 G HN 0.591 nan 8.290 nan 0.000 0.519 1236 A N -0.332 122.551 122.820 0.106 0.000 2.279 1236 A HA 0.864 5.180 4.320 -0.006 0.000 0.303 1236 A C 0.553 178.174 177.584 0.062 0.000 1.108 1236 A CA -0.000 52.079 52.037 0.070 0.000 0.830 1236 A CB 0.670 19.710 19.000 0.066 0.000 1.106 1236 A HN 0.885 nan 8.150 nan 0.000 0.493 1237 R N 1.895 122.416 120.500 0.035 0.000 2.287 1237 R HA 0.457 4.793 4.340 -0.006 0.000 0.327 1237 R C -1.375 174.946 176.300 0.035 0.000 1.109 1237 R CA -0.248 55.874 56.100 0.037 0.000 1.013 1237 R CB 0.031 30.338 30.300 0.012 0.000 1.126 1237 R HN 0.446 nan 8.270 nan 0.000 0.503 1238 V N 6.713 126.686 119.914 0.100 0.000 2.555 1238 V HA 0.191 4.307 4.120 -0.006 0.000 0.286 1238 V C 0.529 176.658 176.094 0.058 0.000 1.044 1238 V CA 0.015 62.355 62.300 0.066 0.000 1.026 1238 V CB 0.996 32.873 31.823 0.090 0.000 0.981 1238 V HN 0.673 nan 8.190 nan 0.000 0.480 1239 I N 5.865 126.407 120.570 -0.046 0.000 2.433 1239 I HA 0.473 4.640 4.170 -0.006 0.000 0.292 1239 I C -0.563 175.496 176.117 -0.096 0.000 1.001 1239 I CA -0.546 60.723 61.300 -0.052 0.000 1.119 1239 I CB 1.823 39.780 38.000 -0.072 0.000 1.289 1239 I HN 0.339 nan 8.210 nan 0.000 0.438 1240 I N 4.093 124.604 120.570 -0.098 0.000 2.607 1240 I HA 0.468 4.635 4.170 -0.006 0.000 0.305 1240 I C 0.345 176.417 176.117 -0.075 0.000 0.995 1240 I CA -0.410 60.822 61.300 -0.114 0.000 1.148 1240 I CB 1.975 39.854 38.000 -0.201 0.000 1.323 1240 I HN 0.574 nan 8.210 nan 0.000 0.461 1241 T N 1.647 116.171 114.554 -0.050 0.000 2.893 1241 T HA 0.720 5.066 4.350 -0.006 0.000 0.293 1241 T C -0.632 174.060 174.700 -0.014 0.000 1.027 1241 T CA -0.559 61.520 62.100 -0.035 0.000 0.988 1241 T CB 2.918 71.765 68.868 -0.035 0.000 1.043 1241 T HN 0.599 nan 8.240 nan 0.000 0.461 1242 E N 1.292 121.485 120.200 -0.011 0.000 2.423 1242 E HA 0.354 4.701 4.350 -0.006 0.000 0.280 1242 E C 0.083 176.684 176.600 0.002 0.000 1.030 1242 E CA -0.515 55.888 56.400 0.006 0.000 0.812 1242 E CB 2.043 31.753 29.700 0.017 0.000 1.313 1242 E HN 0.814 nan 8.360 nan 0.000 0.456 1243 I N -2.562 118.013 120.570 0.008 0.000 4.187 1243 I HA 0.361 4.527 4.170 -0.006 0.000 0.326 1243 I C 0.541 176.661 176.117 0.006 0.000 1.302 1243 I CA -0.050 61.252 61.300 0.004 0.000 1.196 1243 I CB 0.605 38.608 38.000 0.004 0.000 1.095 1243 I HN 0.067 nan 8.210 nan 0.000 0.411 1244 D N 3.070 123.478 120.400 0.013 0.000 2.232 1244 D HA 0.264 4.901 4.640 -0.006 0.000 0.242 1244 D C -1.611 174.697 176.300 0.014 0.000 1.093 1244 D CA -2.389 51.620 54.000 0.014 0.000 0.845 1244 D CB 2.184 42.996 40.800 0.020 0.000 1.124 1244 D HN -0.045 nan 8.370 nan 0.000 0.467 1245 P HA -0.087 nan 4.420 nan 0.000 0.218 1245 P C 1.781 179.086 177.300 0.008 0.000 1.149 1245 P CA 0.757 63.859 63.100 0.003 0.000 0.817 1245 P CB 0.612 32.312 31.700 -0.001 0.000 0.785 1246 I N -0.297 120.282 120.570 0.015 0.000 2.286 1246 I HA -0.209 3.957 4.170 -0.006 0.000 0.245 1246 I C 1.988 178.133 176.117 0.048 0.000 1.104 1246 I CA 1.419 62.732 61.300 0.022 0.000 1.397 1246 I CB -0.764 37.246 38.000 0.017 0.000 1.072 1246 I HN -0.082 nan 8.210 nan 0.000 0.417 1247 N N 1.071 119.812 118.700 0.069 0.000 2.216 1247 N HA -0.070 4.666 4.740 -0.006 0.000 0.183 1247 N C 1.901 177.482 175.510 0.118 0.000 1.017 1247 N CA 1.341 54.482 53.050 0.151 0.000 0.861 1247 N CB -0.258 38.318 38.487 0.148 0.000 0.986 1247 N HN 0.292 nan 8.380 nan 0.000 0.428 1248 A N 0.751 123.590 122.820 0.032 0.000 1.902 1248 A HA -0.086 4.230 4.320 -0.006 0.000 0.217 1248 A C 2.166 179.712 177.584 -0.064 0.000 1.181 1248 A CA 1.049 53.062 52.037 -0.040 0.000 0.623 1248 A CB -0.803 18.182 19.000 -0.025 0.000 0.818 1248 A HN 0.341 nan 8.150 nan 0.000 0.443 1249 L N -0.580 120.630 121.223 -0.022 0.000 2.056 1249 L HA -0.215 4.122 4.340 -0.006 0.000 0.207 1249 L C 2.567 179.427 176.870 -0.018 0.000 1.078 1249 L CA 1.946 56.774 54.840 -0.021 0.000 0.749 1249 L CB -0.426 41.631 42.059 -0.004 0.000 0.901 1249 L HN 0.465 nan 8.230 nan 0.000 0.433 1250 Q N -0.204 119.610 119.800 0.024 0.000 2.135 1250 Q HA -0.234 4.102 4.340 -0.006 0.000 0.204 1250 Q C 2.266 178.274 176.000 0.014 0.000 0.981 1250 Q CA 1.702 57.559 55.803 0.089 0.000 0.856 1250 Q CB -0.344 28.539 28.738 0.241 0.000 0.902 1250 Q HN 0.757 nan 8.270 nan 0.000 0.425 1251 A N 0.864 123.512 122.820 -0.287 0.000 1.929 1251 A HA -0.007 4.310 4.320 -0.006 0.000 0.216 1251 A C 2.282 179.786 177.584 -0.133 0.000 1.176 1251 A CA 1.311 53.013 52.037 -0.558 0.000 0.628 1251 A CB -0.586 17.790 19.000 -1.040 0.000 0.816 1251 A HN 0.379 nan 8.150 nan 0.000 0.444 1252 A N -0.725 122.027 122.820 -0.113 0.000 1.902 1252 A HA -0.107 4.209 4.320 -0.006 0.000 0.217 1252 A C 2.039 179.585 177.584 -0.064 0.000 1.181 1252 A CA 1.888 53.883 52.037 -0.069 0.000 0.623 1252 A CB -0.485 18.482 19.000 -0.056 0.000 0.818 1252 A HN 0.385 nan 8.150 nan 0.000 0.443 1253 M N -0.676 118.896 119.600 -0.046 0.000 2.539 1253 M HA -0.056 4.421 4.480 -0.006 0.000 0.261 1253 M C 1.207 177.478 176.300 -0.049 0.000 1.069 1253 M CA 1.173 56.453 55.300 -0.035 0.000 1.081 1253 M CB -1.035 31.560 32.600 -0.008 0.000 1.412 1253 M HN 0.358 nan 8.290 nan 0.000 0.482 1254 E N -0.815 119.343 120.200 -0.070 0.000 2.481 1254 E HA 0.297 4.643 4.350 -0.006 0.000 0.198 1254 E C 1.142 177.530 176.600 -0.354 0.000 1.027 1254 E CA 0.549 56.867 56.400 -0.138 0.000 0.900 1254 E CB 0.081 29.777 29.700 -0.005 0.000 0.993 1254 E HN 0.522 nan 8.360 nan 0.000 0.482 1255 G N -0.143 108.492 108.800 -0.275 0.000 2.176 1255 G HA2 -0.278 3.678 3.960 -0.006 0.000 0.232 1255 G HA3 -0.278 3.678 3.960 -0.006 0.000 0.232 1255 G C -0.359 174.355 174.900 -0.309 0.000 0.986 1255 G CA -0.061 44.864 45.100 -0.291 0.000 0.643 1255 G HN 0.177 nan 8.290 nan 0.000 0.522 1256 Y N 1.254 121.493 120.300 -0.101 0.000 2.304 1256 Y HA 0.525 5.071 4.550 -0.006 0.000 0.328 1256 Y C 0.800 176.629 175.900 -0.119 0.000 1.123 1256 Y CA -0.780 57.250 58.100 -0.117 0.000 1.218 1256 Y CB 0.885 39.236 38.460 -0.181 0.000 1.207 1256 Y HN 0.341 nan 8.280 nan 0.000 0.495 1257 E N 2.192 122.435 120.200 0.072 0.000 2.354 1257 E HA 0.428 4.775 4.350 -0.006 0.000 0.269 1257 E C -1.526 175.068 176.600 -0.010 0.000 1.036 1257 E CA -0.384 56.022 56.400 0.010 0.000 0.876 1257 E CB 0.712 30.413 29.700 0.001 0.000 1.009 1257 E HN 0.440 nan 8.360 nan 0.000 0.416 1258 V N 4.990 124.885 119.914 -0.032 0.000 2.444 1258 V HA 0.391 4.507 4.120 -0.006 0.000 0.294 1258 V C -0.147 175.925 176.094 -0.036 0.000 1.022 1258 V CA -0.439 61.832 62.300 -0.049 0.000 0.850 1258 V CB 1.415 33.199 31.823 -0.065 0.000 0.992 1258 V HN 0.942 nan 8.190 nan 0.000 0.426 1259 T N 0.696 115.228 114.554 -0.036 0.000 2.669 1259 T HA 0.595 4.942 4.350 -0.006 0.000 0.283 1259 T C -0.055 174.627 174.700 -0.030 0.000 1.019 1259 T CA -0.700 61.384 62.100 -0.028 0.000 1.039 1259 T CB 1.776 70.630 68.868 -0.023 0.000 1.374 1259 T HN 0.655 nan 8.240 nan 0.000 0.523 1260 T N -0.835 113.704 114.554 -0.025 0.000 2.922 1260 T HA 0.419 4.766 4.350 -0.006 0.000 0.285 1260 T C 1.160 175.830 174.700 -0.050 0.000 1.005 1260 T CA -0.783 61.301 62.100 -0.028 0.000 1.061 1260 T CB 1.047 69.908 68.868 -0.011 0.000 1.007 1260 T HN 0.481 nan 8.240 nan 0.000 0.502 1261 M N 1.138 120.683 119.600 -0.092 0.000 2.202 1261 M HA -0.060 4.417 4.480 -0.006 0.000 0.262 1261 M C 1.207 177.363 176.300 -0.240 0.000 1.063 1261 M CA 1.561 56.731 55.300 -0.217 0.000 1.097 1261 M CB -1.201 31.160 32.600 -0.398 0.000 1.382 1261 M HN 0.699 nan 8.290 nan 0.000 0.413 1262 D N 0.063 120.425 120.400 -0.063 0.000 2.221 1262 D HA -0.158 4.479 4.640 -0.006 0.000 0.204 1262 D C 1.846 178.164 176.300 0.030 0.000 0.982 1262 D CA 1.188 55.226 54.000 0.063 0.000 0.857 1262 D CB -0.047 40.801 40.800 0.079 0.000 0.934 1262 D HN 0.506 nan 8.370 nan 0.000 0.475 1263 E N -0.191 120.011 120.200 0.002 0.000 2.206 1263 E HA 0.171 4.517 4.350 -0.006 0.000 0.195 1263 E C 2.110 178.722 176.600 0.019 0.000 0.935 1263 E CA 0.474 56.882 56.400 0.013 0.000 0.875 1263 E CB -0.346 29.357 29.700 0.005 0.000 0.841 1263 E HN 0.139 nan 8.360 nan 0.000 0.477 1264 A N 1.975 124.798 122.820 0.005 0.000 1.940 1264 A HA -0.222 4.094 4.320 -0.006 0.000 0.219 1264 A C 2.589 180.254 177.584 0.134 0.000 1.176 1264 A CA 1.793 53.844 52.037 0.025 0.000 0.631 1264 A CB -1.291 17.706 19.000 -0.006 0.000 0.814 1264 A HN 0.501 nan 8.150 nan 0.000 0.446 1265 C N -0.208 119.172 119.300 0.134 0.000 2.403 1265 C HA -0.084 4.373 4.460 -0.006 0.000 0.279 1265 C C 2.193 177.317 174.990 0.222 0.000 1.269 1265 C CA 1.206 60.343 59.018 0.198 0.000 1.774 1265 C CB -1.349 26.339 27.740 -0.088 0.000 1.993 1265 C HN 0.605 nan 8.230 nan 0.000 0.496 1266 K N 0.744 121.225 120.400 0.134 0.000 2.459 1266 K HA 0.061 4.377 4.320 -0.006 0.000 0.193 1266 K C 1.847 178.518 176.600 0.118 0.000 1.030 1266 K CA 0.892 57.249 56.287 0.118 0.000 1.026 1266 K CB -0.061 32.485 32.500 0.076 0.000 0.809 1266 K HN 0.671 nan 8.250 nan 0.000 0.504 1267 E N 0.730 120.999 120.200 0.115 0.000 2.364 1267 E HA 0.049 4.395 4.350 -0.006 0.000 0.203 1267 E C 0.703 177.314 176.600 0.017 0.000 0.888 1267 E CA -0.198 56.235 56.400 0.055 0.000 0.989 1267 E CB 0.580 30.288 29.700 0.013 0.000 0.985 1267 E HN 0.265 nan 8.360 nan 0.000 0.499 1268 G N 0.339 109.120 108.800 -0.031 0.000 2.544 1268 G HA2 -0.011 3.945 3.960 -0.006 0.000 0.242 1268 G HA3 -0.011 3.945 3.960 -0.006 0.000 0.242 1268 G C 0.063 174.923 174.900 -0.065 0.000 1.247 1268 G CA -0.183 44.736 45.100 -0.301 0.000 0.840 1268 G HN 0.172 nan 8.290 nan 0.000 0.578 1269 N N -0.762 117.861 118.700 -0.128 0.000 2.332 1269 N HA 0.235 4.971 4.740 -0.006 0.000 0.190 1269 N C 0.035 175.564 175.510 0.031 0.000 1.117 1269 N CA 0.057 53.113 53.050 0.010 0.000 0.883 1269 N CB 0.583 39.062 38.487 -0.014 0.000 1.089 1269 N HN 0.366 nan 8.380 nan 0.000 0.480 1270 I N 0.267 120.765 120.570 -0.121 0.000 2.686 1270 I HA 0.352 4.519 4.170 -0.006 0.000 0.295 1270 I C -1.599 174.379 176.117 -0.232 0.000 1.114 1270 I CA -0.705 60.576 61.300 -0.032 0.000 1.038 1270 I CB 2.124 40.095 38.000 -0.047 0.000 1.238 1270 I HN -0.206 nan 8.210 nan 0.000 0.420 1271 F N 4.573 124.529 119.950 0.011 0.000 2.539 1271 F HA 0.616 5.140 4.527 -0.005 0.000 0.318 1271 F C -0.406 175.396 175.800 0.002 0.000 1.135 1271 F CA -0.802 57.196 58.000 -0.005 0.000 0.915 1271 F CB 2.137 41.131 39.000 -0.010 0.000 1.176 1271 F HN -0.069 nan 8.300 nan 0.000 0.440 1272 V N 1.818 121.802 119.914 0.115 0.000 2.531 1272 V HA 0.564 4.681 4.120 -0.006 0.000 0.301 1272 V C -0.445 175.687 176.094 0.063 0.000 1.034 1272 V CA -0.918 61.427 62.300 0.075 0.000 0.865 1272 V CB 2.140 33.978 31.823 0.026 0.000 0.995 1272 V HN 0.798 nan 8.190 nan 0.000 0.424 1273 T N -0.014 114.577 114.554 0.062 0.000 2.829 1273 T HA 0.516 4.863 4.350 -0.006 0.000 0.282 1273 T C 0.304 175.023 174.700 0.031 0.000 0.990 1273 T CA -0.426 61.702 62.100 0.047 0.000 1.028 1273 T CB 1.686 70.588 68.868 0.056 0.000 0.951 1273 T HN 0.565 nan 8.240 nan 0.000 0.460 1274 T N 1.762 116.329 114.554 0.020 0.000 3.058 1274 T HA 0.133 4.480 4.350 -0.006 0.000 0.278 1274 T C 1.972 176.680 174.700 0.014 0.000 0.974 1274 T CA -0.023 62.082 62.100 0.007 0.000 0.893 1274 T CB 0.068 68.927 68.868 -0.016 0.000 1.138 1274 T HN 0.731 nan 8.240 nan 0.000 0.529 1275 T N 1.321 115.890 114.554 0.025 0.000 2.536 1275 T HA -0.061 4.286 4.350 -0.006 0.000 0.263 1275 T C 1.886 176.603 174.700 0.029 0.000 1.115 1275 T CA 2.137 64.253 62.100 0.026 0.000 1.180 1275 T CB -0.675 68.212 68.868 0.031 0.000 0.864 1275 T HN 0.634 nan 8.240 nan 0.000 0.419 1276 G N -0.061 108.774 108.800 0.058 0.000 2.141 1276 G HA2 -0.215 3.741 3.960 -0.006 0.000 0.231 1276 G HA3 -0.215 3.741 3.960 -0.006 0.000 0.231 1276 G C 0.247 175.127 174.900 -0.032 0.000 0.984 1276 G CA 0.122 45.248 45.100 0.043 0.000 0.660 1276 G HN 0.982 nan 8.290 nan 0.000 0.525 1277 C N 0.038 119.349 119.300 0.018 0.000 2.971 1277 C HA 0.901 5.358 4.460 -0.006 0.000 0.310 1277 C C 1.154 176.174 174.990 0.050 0.000 1.285 1277 C CA -0.087 58.935 59.018 0.007 0.000 1.593 1277 C CB 1.286 29.028 27.740 0.003 0.000 2.076 1277 C HN 1.529 nan 8.230 nan 0.000 0.472 1278 V N 1.340 121.282 119.914 0.047 0.000 3.214 1278 V HA 0.500 4.617 4.120 -0.006 0.000 0.306 1278 V C 0.011 176.129 176.094 0.040 0.000 1.078 1278 V CA 0.262 62.599 62.300 0.062 0.000 1.077 1278 V CB 0.606 32.464 31.823 0.058 0.000 1.121 1278 V HN 1.014 nan 8.190 nan 0.000 0.468 1279 D N 0.294 120.717 120.400 0.038 0.000 2.697 1279 D HA -0.174 4.462 4.640 -0.006 0.000 0.235 1279 D C 0.672 176.981 176.300 0.015 0.000 1.167 1279 D CA 0.860 54.869 54.000 0.015 0.000 0.656 1279 D CB -0.674 40.128 40.800 0.004 0.000 1.025 1279 D HN 0.529 nan 8.370 nan 0.000 0.419 1280 I N -0.399 120.180 120.570 0.016 0.000 2.296 1280 I HA 0.014 4.181 4.170 -0.006 0.000 0.242 1280 I C 1.539 177.646 176.117 -0.017 0.000 1.087 1280 I CA 0.869 62.172 61.300 0.005 0.000 1.393 1280 I CB -0.111 37.892 38.000 0.006 0.000 1.093 1280 I HN 0.139 nan 8.210 nan 0.000 0.421 1281 I N 2.815 123.344 120.570 -0.069 0.000 2.354 1281 I HA 0.227 4.393 4.170 -0.006 0.000 0.286 1281 I C -0.681 175.242 176.117 -0.324 0.000 1.007 1281 I CA -0.466 60.722 61.300 -0.187 0.000 1.167 1281 I CB 1.479 39.240 38.000 -0.399 0.000 1.320 1281 I HN -0.080 nan 8.210 nan 0.000 0.458 1282 L N 4.210 125.240 121.223 -0.322 0.000 2.397 1282 L HA 0.556 4.893 4.340 -0.006 0.000 0.266 1282 L C 1.710 178.024 176.870 -0.927 0.000 1.040 1282 L CA -0.085 54.413 54.840 -0.569 0.000 0.800 1282 L CB 0.564 42.306 42.059 -0.529 0.000 1.324 1282 L HN 0.579 nan 8.230 nan 0.000 0.469 1283 G N 0.121 108.297 108.800 -1.039 0.000 2.442 1283 G HA2 -0.229 3.727 3.960 -0.006 0.000 0.219 1283 G HA3 -0.229 3.727 3.960 -0.006 0.000 0.219 1283 G C 1.375 175.645 174.900 -1.050 0.000 1.141 1283 G CA 0.857 44.828 45.100 -1.881 0.000 0.763 1283 G HN 0.718 nan 8.290 nan 0.000 0.554 1284 R N -0.293 119.781 120.500 -0.711 0.000 2.193 1284 R HA -0.016 4.320 4.340 -0.006 0.000 0.229 1284 R C 1.865 177.934 176.300 -0.384 0.000 1.110 1284 R CA 1.608 57.438 56.100 -0.450 0.000 0.988 1284 R CB -0.769 29.291 30.300 -0.399 0.000 0.871 1284 R HN 0.544 nan 8.270 nan 0.000 0.458 1285 H N -0.462 118.336 119.070 -0.453 0.000 2.355 1285 H HA 0.064 4.617 4.556 -0.006 0.000 0.303 1285 H C 1.505 176.592 175.328 -0.402 0.000 1.061 1285 H CA 1.037 56.818 56.048 -0.445 0.000 1.368 1285 H CB -0.041 29.354 29.762 -0.613 0.000 1.412 1285 H HN 0.052 nan 8.280 nan 0.000 0.523 1286 F N 1.795 121.557 119.950 -0.315 0.000 2.120 1286 F HA -0.177 4.346 4.527 -0.006 0.000 0.300 1286 F C 2.084 177.817 175.800 -0.113 0.000 1.095 1286 F CA 1.322 59.160 58.000 -0.270 0.000 1.249 1286 F CB -0.523 38.235 39.000 -0.403 0.000 0.995 1286 F HN 0.233 nan 8.300 nan 0.000 0.480 1287 E N -0.612 119.617 120.200 0.049 0.000 2.401 1287 E HA -0.179 4.167 4.350 -0.006 0.000 0.199 1287 E C 1.878 178.520 176.600 0.071 0.000 1.023 1287 E CA 0.717 57.176 56.400 0.097 0.000 0.859 1287 E CB -0.174 29.569 29.700 0.072 0.000 0.780 1287 E HN 0.559 nan 8.360 nan 0.000 0.523 1288 Q N -0.495 119.339 119.800 0.056 0.000 2.378 1288 Q HA 0.153 4.489 4.340 -0.006 0.000 0.229 1288 Q C 0.664 176.744 176.000 0.132 0.000 0.882 1288 Q CA 0.007 55.854 55.803 0.074 0.000 0.936 1288 Q CB 0.430 29.198 28.738 0.050 0.000 1.092 1288 Q HN 0.320 nan 8.270 nan 0.000 0.535 1289 M N 2.046 121.722 119.600 0.127 0.000 2.245 1289 M HA -0.017 4.459 4.480 -0.006 0.000 0.335 1289 M C 0.408 176.858 176.300 0.250 0.000 1.155 1289 M CA 0.852 56.252 55.300 0.167 0.000 1.055 1289 M CB 0.258 32.912 32.600 0.090 0.000 1.670 1289 M HN -0.145 nan 8.290 nan 0.000 0.447 1290 K N 1.235 121.750 120.400 0.192 0.000 2.286 1290 K HA 0.016 4.333 4.320 -0.006 0.000 0.256 1290 K C -0.376 176.150 176.600 -0.124 0.000 0.999 1290 K CA -0.399 55.928 56.287 0.066 0.000 0.908 1290 K CB 0.193 32.726 32.500 0.055 0.000 0.981 1290 K HN 0.513 nan 8.250 nan 0.000 0.500 1291 D N 1.406 121.475 120.400 -0.553 0.000 2.458 1291 D HA -0.060 4.576 4.640 -0.006 0.000 0.243 1291 D C -0.155 176.055 176.300 -0.150 0.000 1.146 1291 D CA 0.805 54.482 54.000 -0.538 0.000 0.877 1291 D CB 0.200 40.639 40.800 -0.602 0.000 1.176 1291 D HN 0.464 nan 8.370 nan 0.000 0.461 1292 D N 1.143 121.515 120.400 -0.046 0.000 2.981 1292 D HA -0.182 4.454 4.640 -0.006 0.000 0.223 1292 D C -0.598 175.737 176.300 0.058 0.000 1.151 1292 D CA 0.951 54.962 54.000 0.017 0.000 0.827 1292 D CB -1.245 39.555 40.800 0.000 0.000 1.101 1292 D HN 0.529 nan 8.370 nan 0.000 0.426 1293 A N 0.163 123.041 122.820 0.097 0.000 2.462 1293 A HA 0.461 4.778 4.320 -0.006 0.000 0.243 1293 A C 0.744 178.439 177.584 0.184 0.000 1.076 1293 A CA 0.074 52.217 52.037 0.178 0.000 0.773 1293 A CB 0.441 19.609 19.000 0.281 0.000 1.010 1293 A HN 0.317 nan 8.150 nan 0.000 0.493 1294 I N 2.307 122.995 120.570 0.198 0.000 2.331 1294 I HA 0.331 4.497 4.170 -0.006 0.000 0.292 1294 I C -0.666 175.600 176.117 0.248 0.000 0.998 1294 I CA -0.373 61.029 61.300 0.171 0.000 1.267 1294 I CB 1.560 39.625 38.000 0.108 0.000 1.386 1294 I HN 0.290 nan 8.210 nan 0.000 0.476 1295 V N 6.093 126.136 119.914 0.215 0.000 2.444 1295 V HA 0.513 4.629 4.120 -0.006 0.000 0.294 1295 V C -0.154 176.045 176.094 0.175 0.000 1.022 1295 V CA -0.564 61.876 62.300 0.233 0.000 0.850 1295 V CB 1.391 33.350 31.823 0.228 0.000 0.992 1295 V HN 0.999 nan 8.190 nan 0.000 0.426 1296 C N 2.635 122.030 119.300 0.158 0.000 3.236 1296 C HA 0.931 5.388 4.460 -0.006 0.000 0.312 1296 C C -0.813 174.238 174.990 0.102 0.000 1.374 1296 C CA -0.829 58.259 59.018 0.116 0.000 1.455 1296 C CB 1.600 29.393 27.740 0.088 0.000 1.834 1296 C HN 0.859 nan 8.230 nan 0.000 0.460 1297 N N -0.215 118.533 118.700 0.082 0.000 2.249 1297 N HA 0.649 5.386 4.740 -0.006 0.000 0.296 1297 N C -0.805 174.719 175.510 0.025 0.000 1.051 1297 N CA -0.708 52.381 53.050 0.064 0.000 0.815 1297 N CB 1.794 40.330 38.487 0.082 0.000 1.487 1297 N HN 0.949 nan 8.380 nan 0.000 0.475 1298 I N 1.532 122.104 120.570 0.005 0.000 4.442 1298 I HA 0.442 4.608 4.170 -0.006 0.000 0.331 1298 I C 0.902 176.988 176.117 -0.052 0.000 1.364 1298 I CA -0.244 61.034 61.300 -0.037 0.000 1.207 1298 I CB 0.122 38.113 38.000 -0.015 0.000 1.298 1298 I HN 0.671 nan 8.210 nan 0.000 0.463 1299 G N -0.002 108.789 108.800 -0.015 0.000 2.722 1299 G HA2 -0.041 3.916 3.960 -0.006 0.000 0.201 1299 G HA3 -0.041 3.916 3.960 -0.006 0.000 0.201 1299 G C -0.381 174.537 174.900 0.029 0.000 1.926 1299 G CA 0.047 45.155 45.100 0.012 0.000 0.872 1299 G HN 0.344 nan 8.290 nan 0.000 0.581 1300 H N -0.347 118.717 119.070 -0.009 0.000 2.646 1300 H HA 0.387 4.940 4.556 -0.006 0.000 0.325 1300 H C -0.663 174.718 175.328 0.089 0.000 1.075 1300 H CA -1.633 54.433 56.048 0.030 0.000 1.421 1300 H CB 0.223 30.024 29.762 0.065 0.000 1.461 1300 H HN -0.006 nan 8.280 nan 0.000 0.525 1301 F N 4.728 124.423 119.950 -0.425 0.000 2.569 1301 F HA -0.052 4.472 4.527 -0.005 0.000 0.395 1301 F C 1.133 176.782 175.800 -0.251 0.000 1.028 1301 F CA 1.113 58.939 58.000 -0.290 0.000 1.158 1301 F CB -0.301 38.549 39.000 -0.250 0.000 1.023 1301 F HN 0.925 nan 8.300 nan 0.000 0.547 1302 D N 1.674 122.204 120.400 0.216 0.000 3.027 1302 D HA -0.268 4.368 4.640 -0.006 0.000 0.224 1302 D C 0.691 177.049 176.300 0.097 0.000 1.193 1302 D CA 1.412 55.486 54.000 0.124 0.000 0.858 1302 D CB -1.728 39.118 40.800 0.078 0.000 1.104 1302 D HN 0.443 nan 8.370 nan 0.000 0.406 1303 V N -3.800 116.183 119.914 0.115 0.000 3.621 1303 V HA 0.203 4.319 4.120 -0.006 0.000 0.285 1303 V C 1.906 178.088 176.094 0.146 0.000 1.346 1303 V CA 0.817 63.212 62.300 0.159 0.000 1.104 1303 V CB 0.002 31.989 31.823 0.273 0.000 0.913 1303 V HN 0.232 nan 8.190 nan 0.000 0.432 1304 E N 1.246 121.526 120.200 0.134 0.000 2.122 1304 E HA 0.215 4.561 4.350 -0.006 0.000 0.190 1304 E C 0.442 177.084 176.600 0.070 0.000 0.977 1304 E CA 0.662 57.122 56.400 0.099 0.000 0.820 1304 E CB 0.300 30.057 29.700 0.095 0.000 0.770 1304 E HN 0.600 nan 8.360 nan 0.000 0.462 1305 I N 1.757 122.380 120.570 0.089 0.000 2.498 1305 I HA 0.084 4.250 4.170 -0.006 0.000 0.301 1305 I C 0.056 176.250 176.117 0.128 0.000 0.984 1305 I CA -0.670 60.687 61.300 0.096 0.000 1.204 1305 I CB 1.250 39.340 38.000 0.150 0.000 1.362 1305 I HN -0.208 nan 8.210 nan 0.000 0.471 1306 D N 4.956 125.449 120.400 0.155 0.000 2.522 1306 D HA 0.160 4.796 4.640 -0.006 0.000 0.218 1306 D C 0.775 177.254 176.300 0.298 0.000 1.149 1306 D CA -0.068 54.052 54.000 0.201 0.000 0.981 1306 D CB 0.868 41.758 40.800 0.150 0.000 1.041 1306 D HN 0.241 nan 8.370 nan 0.000 0.518 1307 V N 3.491 123.515 119.914 0.183 0.000 2.453 1307 V HA -0.136 3.981 4.120 -0.006 0.000 0.247 1307 V C 2.518 178.663 176.094 0.085 0.000 1.048 1307 V CA 0.765 63.124 62.300 0.098 0.000 1.049 1307 V CB -0.336 31.538 31.823 0.086 0.000 0.672 1307 V HN 0.344 nan 8.190 nan 0.000 0.457 1308 K N -0.357 120.114 120.400 0.118 0.000 2.089 1308 K HA -0.266 4.051 4.320 -0.006 0.000 0.210 1308 K C 1.861 178.524 176.600 0.105 0.000 1.048 1308 K CA 1.996 58.342 56.287 0.097 0.000 0.926 1308 K CB -0.744 31.815 32.500 0.099 0.000 0.714 1308 K HN 0.667 nan 8.250 nan 0.000 0.448 1309 W N 1.001 122.296 121.300 -0.007 0.000 2.355 1309 W HA -0.172 4.485 4.660 -0.006 0.000 0.309 1309 W C 1.901 178.352 176.519 -0.113 0.000 1.206 1309 W CA 1.504 58.840 57.345 -0.015 0.000 1.284 1309 W CB -0.352 29.147 29.460 0.065 0.000 1.145 1309 W HN 0.041 nan 8.180 nan 0.000 0.502 1310 L N 0.830 122.126 121.223 0.122 0.000 2.012 1310 L HA -0.326 4.011 4.340 -0.006 0.000 0.210 1310 L C 2.331 179.024 176.870 -0.296 0.000 1.073 1310 L CA 1.668 56.293 54.840 -0.359 0.000 0.748 1310 L CB -0.929 40.526 42.059 -1.007 0.000 0.891 1310 L HN 0.070 nan 8.230 nan 0.000 0.431 1311 N N -0.082 118.562 118.700 -0.094 0.000 2.120 1311 N HA -0.179 4.558 4.740 -0.006 0.000 0.188 1311 N C 1.622 177.099 175.510 -0.055 0.000 1.024 1311 N CA 1.301 54.392 53.050 0.067 0.000 0.852 1311 N CB -0.126 38.407 38.487 0.076 0.000 1.003 1311 N HN 0.449 nan 8.380 nan 0.000 0.424 1312 E N -0.124 119.983 120.200 -0.153 0.000 2.435 1312 E HA 0.106 4.452 4.350 -0.006 0.000 0.195 1312 E C 0.656 177.043 176.600 -0.355 0.000 1.029 1312 E CA 0.299 56.574 56.400 -0.209 0.000 0.865 1312 E CB 0.141 29.734 29.700 -0.177 0.000 0.833 1312 E HN 0.427 nan 8.360 nan 0.000 0.510 1313 N N 0.125 118.482 118.700 -0.571 0.000 2.193 1313 N HA 0.120 4.857 4.740 -0.006 0.000 0.210 1313 N C 0.142 175.388 175.510 -0.440 0.000 1.215 1313 N CA -0.046 52.587 53.050 -0.695 0.000 0.901 1313 N CB 0.992 38.578 38.487 -1.503 0.000 1.060 1313 N HN -0.065 nan 8.380 nan 0.000 0.508 1314 A N 0.907 123.558 122.820 -0.281 0.000 2.386 1314 A HA 0.271 4.587 4.320 -0.006 0.000 0.248 1314 A C 1.420 178.974 177.584 -0.050 0.000 1.082 1314 A CA -0.184 51.805 52.037 -0.080 0.000 0.789 1314 A CB 0.688 19.777 19.000 0.147 0.000 1.025 1314 A HN -0.045 nan 8.150 nan 0.000 0.490 1315 V N 0.978 120.881 119.914 -0.018 0.000 2.788 1315 V HA 0.040 4.156 4.120 -0.006 0.000 0.251 1315 V C 0.794 176.879 176.094 -0.015 0.000 1.068 1315 V CA 1.667 63.955 62.300 -0.021 0.000 1.090 1315 V CB -0.875 30.943 31.823 -0.008 0.000 0.710 1315 V HN 0.893 nan 8.190 nan 0.000 0.467 1316 E N -0.677 119.521 120.200 -0.003 0.000 2.433 1316 E HA 0.591 4.938 4.350 -0.006 0.000 0.278 1316 E C -0.942 175.623 176.600 -0.059 0.000 0.976 1316 E CA -0.854 55.529 56.400 -0.030 0.000 0.793 1316 E CB 2.757 32.441 29.700 -0.028 0.000 1.311 1316 E HN 0.116 nan 8.360 nan 0.000 0.460 1317 K N 0.891 121.206 120.400 -0.142 0.000 2.589 1317 K HA 0.420 4.737 4.320 -0.006 0.000 0.253 1317 K C -2.025 174.417 176.600 -0.263 0.000 0.974 1317 K CA -0.645 55.439 56.287 -0.340 0.000 0.835 1317 K CB 2.026 34.276 32.500 -0.418 0.000 1.272 1317 K HN 0.338 nan 8.250 nan 0.000 0.444 1318 V N 2.830 122.587 119.914 -0.263 0.000 2.577 1318 V HA 0.491 4.608 4.120 -0.006 0.000 0.303 1318 V C -1.227 174.769 176.094 -0.163 0.000 1.042 1318 V CA -0.746 61.454 62.300 -0.166 0.000 0.872 1318 V CB 1.698 33.460 31.823 -0.102 0.000 0.998 1318 V HN 0.930 nan 8.190 nan 0.000 0.423 1319 N N 4.596 123.219 118.700 -0.128 0.000 2.405 1319 N HA 0.143 4.879 4.740 -0.006 0.000 0.260 1319 N C 0.562 176.034 175.510 -0.064 0.000 1.152 1319 N CA -0.147 52.845 53.050 -0.097 0.000 0.948 1319 N CB 1.349 39.791 38.487 -0.076 0.000 1.111 1319 N HN 0.777 nan 8.380 nan 0.000 0.485 1320 I N 3.557 124.096 120.570 -0.052 0.000 2.353 1320 I HA -0.087 4.080 4.170 -0.006 0.000 0.248 1320 I C 0.949 177.053 176.117 -0.023 0.000 1.119 1320 I CA 1.326 62.606 61.300 -0.032 0.000 1.417 1320 I CB -0.188 37.798 38.000 -0.022 0.000 1.078 1320 I HN 0.696 nan 8.210 nan 0.000 0.421 1321 K N -0.950 119.438 120.400 -0.020 0.000 2.711 1321 K HA 0.311 4.628 4.320 -0.006 0.000 0.294 1321 K C -3.108 173.485 176.600 -0.012 0.000 1.037 1321 K CA -1.454 54.825 56.287 -0.014 0.000 0.858 1321 K CB 0.814 33.310 32.500 -0.007 0.000 1.521 1321 K HN -0.397 nan 8.250 nan 0.000 0.386 1322 P HA -0.046 nan 4.420 nan 0.000 0.260 1322 P C -0.739 176.560 177.300 -0.001 0.000 1.172 1322 P CA 0.796 63.891 63.100 -0.008 0.000 0.760 1322 P CB 0.201 31.898 31.700 -0.005 0.000 0.773 1323 Q N -0.845 118.955 119.800 -0.000 0.000 2.493 1323 Q HA -0.126 4.210 4.340 -0.006 0.000 0.260 1323 Q C -0.697 175.316 176.000 0.023 0.000 0.905 1323 Q CA 0.783 56.594 55.803 0.014 0.000 1.140 1323 Q CB -2.598 26.151 28.738 0.019 0.000 1.435 1323 Q HN 0.345 nan 8.270 nan 0.000 0.581 1324 V N 1.350 121.271 119.914 0.011 0.000 2.509 1324 V HA 0.395 4.512 4.120 -0.006 0.000 0.289 1324 V C -0.331 175.759 176.094 -0.007 0.000 1.026 1324 V CA -0.710 61.599 62.300 0.015 0.000 0.872 1324 V CB 2.106 33.935 31.823 0.009 0.000 1.017 1324 V HN 0.034 nan 8.190 nan 0.000 0.436 1325 D N 3.396 123.797 120.400 0.003 0.000 2.342 1325 D HA 0.533 5.170 4.640 -0.006 0.000 0.243 1325 D C -0.414 175.857 176.300 -0.049 0.000 1.019 1325 D CA -0.633 53.316 54.000 -0.084 0.000 0.864 1325 D CB 2.908 43.619 40.800 -0.148 0.000 1.315 1325 D HN 0.356 nan 8.370 nan 0.000 0.468 1326 R N 2.265 122.677 120.500 -0.147 0.000 2.467 1326 R HA 0.238 4.575 4.340 -0.006 0.000 0.299 1326 R C -1.209 175.037 176.300 -0.090 0.000 1.120 1326 R CA -0.541 55.540 56.100 -0.032 0.000 0.940 1326 R CB 0.417 30.707 30.300 -0.018 0.000 1.161 1326 R HN 0.323 nan 8.270 nan 0.000 0.506 1327 Y N 2.664 122.945 120.300 -0.032 0.000 2.307 1327 Y HA 0.289 4.836 4.550 -0.006 0.000 0.324 1327 Y C 0.167 176.058 175.900 -0.016 0.000 1.238 1327 Y CA -0.695 57.380 58.100 -0.041 0.000 1.280 1327 Y CB 0.904 39.317 38.460 -0.079 0.000 1.248 1327 Y HN 0.362 nan 8.280 nan 0.000 0.508 1328 L N 3.901 125.211 121.223 0.145 0.000 2.313 1328 L HA 0.517 4.853 4.340 -0.006 0.000 0.283 1328 L C -1.247 175.679 176.870 0.094 0.000 1.013 1328 L CA -0.820 54.080 54.840 0.099 0.000 0.816 1328 L CB 0.546 42.637 42.059 0.053 0.000 1.236 1328 L HN 0.550 nan 8.230 nan 0.000 0.419 1329 L N 4.588 125.877 121.223 0.109 0.000 2.399 1329 L HA 0.412 4.748 4.340 -0.006 0.000 0.265 1329 L C 1.322 178.230 176.870 0.063 0.000 1.089 1329 L CA -0.722 54.176 54.840 0.097 0.000 0.802 1329 L CB 1.041 43.198 42.059 0.164 0.000 1.180 1329 L HN 0.658 nan 8.230 nan 0.000 0.454 1330 K N 0.886 121.309 120.400 0.039 0.000 2.209 1330 K HA -0.166 4.150 4.320 -0.006 0.000 0.204 1330 K C 1.389 178.002 176.600 0.021 0.000 1.048 1330 K CA 1.426 57.725 56.287 0.020 0.000 0.940 1330 K CB -0.181 32.323 32.500 0.007 0.000 0.729 1330 K HN 0.607 nan 8.250 nan 0.000 0.451 1331 N N -0.049 118.666 118.700 0.024 0.000 2.550 1331 N HA -0.053 4.683 4.740 -0.006 0.000 0.186 1331 N C 1.052 176.532 175.510 -0.050 0.000 1.110 1331 N CA 1.206 54.236 53.050 -0.034 0.000 0.912 1331 N CB 0.278 38.716 38.487 -0.081 0.000 0.968 1331 N HN 0.240 nan 8.380 nan 0.000 0.448 1332 G N -1.390 107.427 108.800 0.028 0.000 2.194 1332 G HA2 -0.251 3.705 3.960 -0.006 0.000 0.236 1332 G HA3 -0.251 3.705 3.960 -0.006 0.000 0.236 1332 G C -0.325 174.696 174.900 0.202 0.000 0.987 1332 G CA 0.074 45.222 45.100 0.080 0.000 0.635 1332 G HN 0.631 nan 8.290 nan 0.000 0.520 1333 H N 0.280 119.388 119.070 0.063 0.000 2.481 1333 H HA 0.618 5.171 4.556 -0.006 0.000 0.339 1333 H C 0.359 175.732 175.328 0.076 0.000 1.131 1333 H CA -0.738 55.352 56.048 0.070 0.000 1.301 1333 H CB 0.827 30.639 29.762 0.082 0.000 1.476 1333 H HN 0.113 nan 8.280 nan 0.000 0.529 1334 R N 1.663 122.256 120.500 0.154 0.000 2.540 1334 R HA 0.377 4.714 4.340 -0.006 0.000 0.287 1334 R C -0.781 175.586 176.300 0.112 0.000 0.980 1334 R CA -0.565 55.604 56.100 0.115 0.000 0.966 1334 R CB 0.956 31.298 30.300 0.071 0.000 1.106 1334 R HN 0.451 nan 8.270 nan 0.000 0.480 1335 I N 3.724 124.371 120.570 0.128 0.000 2.439 1335 I HA 0.340 4.506 4.170 -0.006 0.000 0.285 1335 I C -0.256 175.953 176.117 0.153 0.000 1.021 1335 I CA -0.600 60.768 61.300 0.113 0.000 1.091 1335 I CB 1.456 39.464 38.000 0.012 0.000 1.242 1335 I HN 0.541 nan 8.210 nan 0.000 0.439 1336 I N 6.384 127.031 120.570 0.129 0.000 2.352 1336 I HA 0.285 4.451 4.170 -0.006 0.000 0.290 1336 I C -0.057 176.147 176.117 0.145 0.000 1.036 1336 I CA -0.232 61.144 61.300 0.126 0.000 1.336 1336 I CB 1.309 39.362 38.000 0.088 0.000 1.407 1336 I HN 0.305 nan 8.210 nan 0.000 0.497 1337 L N 7.458 128.787 121.223 0.177 0.000 2.325 1337 L HA 0.587 4.923 4.340 -0.006 0.000 0.278 1337 L C -0.871 176.078 176.870 0.132 0.000 1.023 1337 L CA -0.809 54.133 54.840 0.170 0.000 0.811 1337 L CB 1.757 43.962 42.059 0.244 0.000 1.249 1337 L HN 0.506 nan 8.230 nan 0.000 0.431 1338 L N 4.397 125.689 121.223 0.114 0.000 2.341 1338 L HA 0.458 4.795 4.340 -0.006 0.000 0.278 1338 L C 0.868 177.790 176.870 0.086 0.000 1.005 1338 L CA -0.542 54.350 54.840 0.087 0.000 0.818 1338 L CB 1.640 43.743 42.059 0.074 0.000 1.259 1338 L HN 0.899 nan 8.230 nan 0.000 0.418 1339 A N 2.452 125.315 122.820 0.071 0.000 2.826 1339 A HA -0.240 4.077 4.320 -0.006 0.000 0.274 1339 A C 0.852 178.484 177.584 0.079 0.000 1.443 1339 A CA 1.286 53.365 52.037 0.070 0.000 0.833 1339 A CB -1.926 17.124 19.000 0.085 0.000 1.023 1339 A HN 0.995 nan 8.150 nan 0.000 0.600 1340 E N -3.588 116.663 120.200 0.085 0.000 2.539 1340 E HA -0.247 4.099 4.350 -0.006 0.000 0.253 1340 E C 1.322 177.982 176.600 0.100 0.000 1.145 1340 E CA 1.234 57.690 56.400 0.093 0.000 0.738 1340 E CB -2.023 27.711 29.700 0.057 0.000 1.308 1340 E HN 2.501 nan 8.360 nan 0.000 0.409 1341 G N -0.279 108.590 108.800 0.115 0.000 2.205 1341 G HA2 -0.379 3.577 3.960 -0.006 0.000 0.261 1341 G HA3 -0.379 3.577 3.960 -0.006 0.000 0.261 1341 G C 0.436 175.426 174.900 0.149 0.000 0.980 1341 G CA 0.650 45.825 45.100 0.124 0.000 0.632 1341 G HN 0.315 nan 8.290 nan 0.000 0.533 1342 R N -0.397 120.210 120.500 0.178 0.000 2.574 1342 R HA 0.621 4.958 4.340 -0.006 0.000 0.266 1342 R C 0.995 177.446 176.300 0.253 0.000 1.157 1342 R CA -0.847 55.467 56.100 0.356 0.000 1.187 1342 R CB 0.357 30.866 30.300 0.349 0.000 1.179 1342 R HN 0.202 nan 8.270 nan 0.000 0.600 1343 L N 1.570 122.894 121.223 0.169 0.000 2.628 1343 L HA -0.120 4.217 4.340 -0.006 0.000 0.274 1343 L C 1.637 178.510 176.870 0.005 0.000 1.209 1343 L CA 0.074 54.844 54.840 -0.117 0.000 0.930 1343 L CB 0.251 42.012 42.059 -0.495 0.000 1.183 1343 L HN 0.545 nan 8.230 nan 0.000 0.492 1344 V N 4.775 124.688 119.914 -0.001 0.000 2.453 1344 V HA -0.202 3.915 4.120 -0.006 0.000 0.247 1344 V C 2.216 178.310 176.094 -0.001 0.000 1.048 1344 V CA 2.036 64.348 62.300 0.019 0.000 1.049 1344 V CB -0.357 31.483 31.823 0.028 0.000 0.672 1344 V HN 1.093 nan 8.190 nan 0.000 0.457 1345 N N 0.555 119.235 118.700 -0.032 0.000 2.244 1345 N HA -0.144 4.592 4.740 -0.006 0.000 0.183 1345 N C 1.621 177.098 175.510 -0.055 0.000 1.016 1345 N CA 1.982 55.009 53.050 -0.039 0.000 0.866 1345 N CB -0.555 37.898 38.487 -0.057 0.000 0.980 1345 N HN 0.524 nan 8.380 nan 0.000 0.430 1346 L N -0.506 120.673 121.223 -0.073 0.000 2.253 1346 L HA 0.274 4.611 4.340 -0.006 0.000 0.205 1346 L C 2.546 179.427 176.870 0.019 0.000 1.078 1346 L CA 0.890 55.704 54.840 -0.044 0.000 0.805 1346 L CB -0.406 41.619 42.059 -0.056 0.000 0.963 1346 L HN 0.251 nan 8.230 nan 0.000 0.459 1347 G N -1.547 107.278 108.800 0.042 0.000 2.551 1347 G HA2 -0.109 3.847 3.960 -0.006 0.000 0.216 1347 G HA3 -0.109 3.847 3.960 -0.006 0.000 0.216 1347 G C 1.175 176.096 174.900 0.035 0.000 1.137 1347 G CA 0.580 45.714 45.100 0.057 0.000 0.798 1347 G HN 0.413 nan 8.290 nan 0.000 0.536 1348 C N -0.306 119.010 119.300 0.027 0.000 3.491 1348 C HA 0.781 5.238 4.460 -0.006 0.000 0.298 1348 C C 1.148 176.151 174.990 0.021 0.000 1.424 1348 C CA -0.034 58.998 59.018 0.023 0.000 1.772 1348 C CB -0.558 27.196 27.740 0.024 0.000 2.447 1348 C HN 0.580 nan 8.230 nan 0.000 0.670 1349 A N -0.102 122.729 122.820 0.019 0.000 2.525 1349 A HA 0.753 5.070 4.320 -0.006 0.000 0.291 1349 A C 0.126 177.723 177.584 0.021 0.000 1.268 1349 A CA -0.190 51.861 52.037 0.022 0.000 0.712 1349 A CB 0.343 19.357 19.000 0.023 0.000 1.320 1349 A HN 0.005 nan 8.150 nan 0.000 0.456 1350 M N 0.892 120.509 119.600 0.028 0.000 2.505 1350 M HA 0.254 4.731 4.480 -0.006 0.000 0.230 1350 M C 1.081 177.386 176.300 0.008 0.000 1.153 1350 M CA 1.063 56.381 55.300 0.030 0.000 0.997 1350 M CB -1.332 31.297 32.600 0.049 0.000 1.606 1350 M HN 1.534 nan 8.290 nan 0.000 0.481 1351 G N 0.590 109.374 108.800 -0.027 0.000 2.593 1351 G HA2 -0.206 3.750 3.960 -0.006 0.000 0.237 1351 G HA3 -0.206 3.750 3.960 -0.006 0.000 0.237 1351 G C -0.492 174.393 174.900 -0.025 0.000 1.312 1351 G CA -0.593 44.438 45.100 -0.115 0.000 0.896 1351 G HN 0.510 nan 8.290 nan 0.000 0.574 1352 H N 1.495 120.575 119.070 0.017 0.000 2.732 1352 H HA 0.439 4.992 4.556 -0.005 0.000 0.351 1352 H C -1.544 173.812 175.328 0.047 0.000 1.090 1352 H CA -0.693 55.377 56.048 0.037 0.000 1.431 1352 H CB 0.037 29.815 29.762 0.026 0.000 1.447 1352 H HN 0.365 nan 8.280 nan 0.000 0.582 1353 P HA 0.053 nan 4.420 nan 0.000 0.270 1353 P C 0.771 178.156 177.300 0.141 0.000 1.223 1353 P CA -0.161 63.033 63.100 0.157 0.000 0.785 1353 P CB 0.754 32.548 31.700 0.157 0.000 0.923 1354 S N 0.377 116.148 115.700 0.118 0.000 2.387 1354 S HA -0.207 4.259 4.470 -0.006 0.000 0.230 1354 S C 1.530 176.175 174.600 0.074 0.000 1.035 1354 S CA 1.204 59.453 58.200 0.082 0.000 1.014 1354 S CB -1.030 62.221 63.200 0.087 0.000 0.836 1354 S HN 0.504 nan 8.310 nan 0.000 0.466 1355 F N 1.845 121.785 119.950 -0.018 0.000 2.161 1355 F HA -0.176 4.349 4.527 -0.004 0.000 0.300 1355 F C 2.373 178.067 175.800 -0.176 0.000 1.089 1355 F CA 1.419 59.388 58.000 -0.051 0.000 1.282 1355 F CB -0.238 38.762 39.000 0.001 0.000 1.010 1355 F HN 0.132 nan 8.300 nan 0.000 0.485 1356 V N -0.655 119.296 119.914 0.061 0.000 2.427 1356 V HA -0.251 3.865 4.120 -0.006 0.000 0.248 1356 V C 2.119 178.058 176.094 -0.258 0.000 1.051 1356 V CA 1.777 64.049 62.300 -0.047 0.000 1.048 1356 V CB -0.428 31.457 31.823 0.104 0.000 0.666 1356 V HN 0.344 nan 8.190 nan 0.000 0.456 1357 M N 0.990 120.435 119.600 -0.257 0.000 2.117 1357 M HA -0.066 4.410 4.480 -0.006 0.000 0.262 1357 M C 2.568 178.513 176.300 -0.592 0.000 1.065 1357 M CA 2.180 57.140 55.300 -0.566 0.000 1.114 1357 M CB -1.129 31.199 32.600 -0.454 0.000 1.361 1357 M HN 0.576 nan 8.290 nan 0.000 0.408 1358 S N -0.240 115.259 115.700 -0.336 0.000 2.387 1358 S HA -0.190 4.277 4.470 -0.006 0.000 0.230 1358 S C 1.748 176.258 174.600 -0.151 0.000 1.035 1358 S CA 2.081 60.165 58.200 -0.193 0.000 1.014 1358 S CB -0.316 62.744 63.200 -0.234 0.000 0.836 1358 S HN 0.605 nan 8.310 nan 0.000 0.466 1359 N N 0.260 118.696 118.700 -0.440 0.000 2.207 1359 N HA 0.062 4.799 4.740 -0.006 0.000 0.182 1359 N C 1.985 177.358 175.510 -0.228 0.000 1.020 1359 N CA 1.387 54.121 53.050 -0.526 0.000 0.858 1359 N CB -0.181 37.726 38.487 -0.967 0.000 0.991 1359 N HN 0.261 nan 8.380 nan 0.000 0.427 1360 S N 0.220 115.781 115.700 -0.232 0.000 2.356 1360 S HA -0.061 4.405 4.470 -0.006 0.000 0.223 1360 S C 1.428 176.093 174.600 0.107 0.000 1.032 1360 S CA 0.934 59.080 58.200 -0.089 0.000 1.005 1360 S CB -0.359 62.736 63.200 -0.176 0.000 0.867 1360 S HN 0.231 nan 8.310 nan 0.000 0.449 1361 F N 2.167 122.117 119.950 0.001 0.000 2.146 1361 F HA -0.027 4.497 4.527 -0.005 0.000 0.298 1361 F C 2.808 178.613 175.800 0.008 0.000 1.096 1361 F CA 0.600 58.610 58.000 0.017 0.000 1.275 1361 F CB -1.912 37.091 39.000 0.006 0.000 1.008 1361 F HN 0.135 nan 8.300 nan 0.000 0.480 1362 T N 0.099 114.762 114.554 0.181 0.000 2.849 1362 T HA -0.185 4.162 4.350 -0.006 0.000 0.270 1362 T C 1.933 176.688 174.700 0.092 0.000 1.066 1362 T CA 1.179 63.347 62.100 0.114 0.000 1.130 1362 T CB -0.316 68.617 68.868 0.109 0.000 0.864 1362 T HN 0.266 nan 8.240 nan 0.000 0.481 1363 N N 0.616 119.370 118.700 0.089 0.000 2.142 1363 N HA -0.083 4.653 4.740 -0.006 0.000 0.186 1363 N C 2.101 177.657 175.510 0.077 0.000 1.023 1363 N CA 0.881 53.975 53.050 0.072 0.000 0.852 1363 N CB -0.087 38.441 38.487 0.069 0.000 0.998 1363 N HN 0.370 nan 8.380 nan 0.000 0.424 1364 Q N 0.896 120.764 119.800 0.114 0.000 2.030 1364 Q HA -0.096 4.240 4.340 -0.006 0.000 0.204 1364 Q C 2.355 178.386 176.000 0.051 0.000 0.986 1364 Q CA 0.962 56.819 55.803 0.091 0.000 0.843 1364 Q CB -0.770 28.044 28.738 0.126 0.000 0.904 1364 Q HN 0.207 nan 8.270 nan 0.000 0.420 1365 V N 1.164 121.108 119.914 0.051 0.000 2.332 1365 V HA -0.297 3.820 4.120 -0.006 0.000 0.248 1365 V C 2.463 178.550 176.094 -0.013 0.000 1.055 1365 V CA 1.628 63.935 62.300 0.012 0.000 1.038 1365 V CB -0.576 31.257 31.823 0.015 0.000 0.651 1365 V HN 0.348 nan 8.190 nan 0.000 0.450 1366 M N -0.295 119.309 119.600 0.007 0.000 2.080 1366 M HA -0.181 4.295 4.480 -0.006 0.000 0.260 1366 M C 2.408 178.705 176.300 -0.005 0.000 1.068 1366 M CA 2.381 57.680 55.300 -0.002 0.000 1.109 1366 M CB -1.389 31.228 32.600 0.029 0.000 1.342 1366 M HN 0.441 nan 8.290 nan 0.000 0.405 1367 A N -0.140 122.680 122.820 0.000 0.000 1.858 1367 A HA -0.182 4.135 4.320 -0.006 0.000 0.216 1367 A C 2.088 179.662 177.584 -0.017 0.000 1.190 1367 A CA 1.275 53.297 52.037 -0.024 0.000 0.617 1367 A CB -0.627 18.358 19.000 -0.025 0.000 0.827 1367 A HN 0.478 nan 8.150 nan 0.000 0.443 1368 Q N -0.033 119.765 119.800 -0.003 0.000 2.045 1368 Q HA -0.182 4.155 4.340 -0.006 0.000 0.206 1368 Q C 2.187 178.226 176.000 0.065 0.000 0.991 1368 Q CA 1.737 57.547 55.803 0.012 0.000 0.851 1368 Q CB -0.634 28.094 28.738 -0.017 0.000 0.911 1368 Q HN 0.779 nan 8.270 nan 0.000 0.418 1369 I N 0.720 121.303 120.570 0.022 0.000 2.264 1369 I HA -0.249 3.917 4.170 -0.006 0.000 0.248 1369 I C 2.432 178.623 176.117 0.124 0.000 1.111 1369 I CA 1.141 62.463 61.300 0.035 0.000 1.382 1369 I CB -0.299 37.618 38.000 -0.138 0.000 1.060 1369 I HN 0.251 nan 8.210 nan 0.000 0.418 1370 E N 0.918 121.186 120.200 0.115 0.000 2.033 1370 E HA -0.112 4.234 4.350 -0.006 0.000 0.189 1370 E C 2.419 179.186 176.600 0.279 0.000 0.979 1370 E CA 0.908 57.441 56.400 0.222 0.000 0.802 1370 E CB -0.033 29.712 29.700 0.075 0.000 0.763 1370 E HN 0.435 nan 8.360 nan 0.000 0.449 1371 L N 0.453 121.734 121.223 0.096 0.000 1.955 1371 L HA -0.219 4.118 4.340 -0.006 0.000 0.213 1371 L C 2.649 179.628 176.870 0.182 0.000 1.072 1371 L CA 1.648 56.532 54.840 0.074 0.000 0.755 1371 L CB -0.780 41.273 42.059 -0.010 0.000 0.888 1371 L HN 0.418 nan 8.230 nan 0.000 0.432 1372 W N 0.884 122.183 121.300 -0.001 0.000 2.318 1372 W HA -0.267 4.389 4.660 -0.006 0.000 0.313 1372 W C 2.113 178.615 176.519 -0.027 0.000 1.221 1372 W CA 2.115 59.446 57.345 -0.022 0.000 1.266 1372 W CB -0.302 29.130 29.460 -0.046 0.000 1.150 1372 W HN 0.131 nan 8.180 nan 0.000 0.496 1373 T N -0.301 114.201 114.554 -0.087 0.000 2.995 1373 T HA -0.143 4.204 4.350 -0.006 0.000 0.269 1373 T C -0.602 173.794 174.700 -0.506 0.000 1.091 1373 T CA 1.058 62.951 62.100 -0.345 0.000 1.128 1373 T CB -0.321 68.416 68.868 -0.218 0.000 0.891 1373 T HN 0.106 nan 8.240 nan 0.000 0.492 1374 H N 0.054 119.082 119.070 -0.070 0.000 2.530 1374 H HA 0.290 4.843 4.556 -0.006 0.000 0.246 1374 H C -1.980 173.329 175.328 -0.030 0.000 1.346 1374 H CA -1.995 54.032 56.048 -0.034 0.000 1.424 1374 H CB 1.107 30.903 29.762 0.057 0.000 1.445 1374 H HN 0.041 nan 8.280 nan 0.000 0.511 1375 P HA -0.167 nan 4.420 nan 0.000 0.215 1375 P C 0.366 177.663 177.300 -0.006 0.000 1.157 1375 P CA 1.364 64.421 63.100 -0.071 0.000 0.874 1375 P CB 0.435 32.041 31.700 -0.158 0.000 0.790 1376 D N -1.624 118.769 120.400 -0.011 0.000 2.525 1376 D HA 0.054 4.690 4.640 -0.006 0.000 0.229 1376 D C 1.303 177.583 176.300 -0.033 0.000 1.202 1376 D CA 0.012 54.004 54.000 -0.013 0.000 0.828 1376 D CB 0.375 41.158 40.800 -0.028 0.000 1.008 1376 D HN 0.241 nan 8.370 nan 0.000 0.493 1377 K N -0.034 120.349 120.400 -0.028 0.000 2.211 1377 K HA -0.011 4.305 4.320 -0.006 0.000 0.201 1377 K C -0.209 176.116 176.600 -0.458 0.000 1.052 1377 K CA 0.560 56.711 56.287 -0.227 0.000 0.973 1377 K CB 0.401 32.745 32.500 -0.259 0.000 0.766 1377 K HN -0.049 nan 8.250 nan 0.000 0.466 1378 Y N 2.249 122.470 120.300 -0.132 0.000 2.334 1378 Y HA 0.337 4.883 4.550 -0.006 0.000 0.336 1378 Y C -2.206 173.652 175.900 -0.070 0.000 0.960 1378 Y CA -3.017 54.931 58.100 -0.252 0.000 1.164 1378 Y CB 1.141 39.352 38.460 -0.414 0.000 1.155 1378 Y HN 0.096 nan 8.280 nan 0.000 0.478 1379 P HA 0.083 nan 4.420 nan 0.000 0.274 1379 P C -0.485 176.992 177.300 0.294 0.000 1.237 1379 P CA -0.350 62.861 63.100 0.186 0.000 0.793 1379 P CB 1.173 32.967 31.700 0.157 0.000 0.977 1380 V N 0.864 120.880 119.914 0.170 0.000 2.539 1380 V HA 0.376 4.492 4.120 -0.006 0.000 0.300 1380 V C 1.193 177.349 176.094 0.103 0.000 1.019 1380 V CA 1.245 63.625 62.300 0.134 0.000 1.160 1380 V CB -1.148 30.723 31.823 0.079 0.000 0.901 1380 V HN 1.101 nan 8.190 nan 0.000 0.481 1381 G N 2.851 111.682 108.800 0.051 0.000 2.358 1381 G HA2 0.333 4.289 3.960 -0.006 0.000 0.303 1381 G HA3 0.333 4.289 3.960 -0.006 0.000 0.303 1381 G C -1.187 173.506 174.900 -0.346 0.000 1.537 1381 G CA -0.251 44.745 45.100 -0.174 0.000 0.928 1381 G HN 1.283 nan 8.290 nan 0.000 0.656 1382 V N 2.547 122.198 119.914 -0.440 0.000 2.372 1382 V HA 0.553 4.669 4.120 -0.006 0.000 0.261 1382 V C 0.135 175.905 176.094 -0.540 0.000 1.055 1382 V CA -0.433 61.566 62.300 -0.502 0.000 0.930 1382 V CB -0.586 30.735 31.823 -0.835 0.000 1.031 1382 V HN 0.742 nan 8.190 nan 0.000 0.479 1383 H N 5.265 124.222 119.070 -0.189 0.000 2.544 1383 H HA 0.439 4.991 4.556 -0.006 0.000 0.342 1383 H C -0.879 174.366 175.328 -0.138 0.000 1.185 1383 H CA -0.378 55.618 56.048 -0.087 0.000 1.264 1383 H CB 1.533 31.358 29.762 0.104 0.000 1.607 1383 H HN 0.587 nan 8.280 nan 0.000 0.550 1384 F N 0.632 120.707 119.950 0.210 0.000 2.377 1384 F HA 0.102 4.626 4.527 -0.006 0.000 0.328 1384 F C 0.376 176.244 175.800 0.113 0.000 1.094 1384 F CA -0.821 57.261 58.000 0.138 0.000 1.093 1384 F CB 0.745 39.830 39.000 0.141 0.000 1.214 1384 F HN 0.242 nan 8.300 nan 0.000 0.518 1385 L N 6.509 127.907 121.223 0.291 0.000 2.477 1385 L HA 0.296 4.633 4.340 -0.006 0.000 0.272 1385 L C -2.102 174.863 176.870 0.158 0.000 1.157 1385 L CA -1.615 53.319 54.840 0.157 0.000 0.889 1385 L CB -0.426 41.700 42.059 0.111 0.000 1.158 1385 L HN 0.286 nan 8.230 nan 0.000 0.473 1386 P HA -0.098 nan 4.420 nan 0.000 0.261 1386 P C 0.130 177.473 177.300 0.073 0.000 1.165 1386 P CA 0.145 63.310 63.100 0.108 0.000 0.759 1386 P CB 0.471 32.220 31.700 0.081 0.000 0.772 1387 K N 4.824 125.260 120.400 0.059 0.000 2.089 1387 K HA -0.240 4.076 4.320 -0.006 0.000 0.210 1387 K C 1.877 178.491 176.600 0.024 0.000 1.048 1387 K CA 2.126 58.441 56.287 0.047 0.000 0.926 1387 K CB -0.331 32.195 32.500 0.043 0.000 0.714 1387 K HN 0.250 nan 8.250 nan 0.000 0.448 1388 K N 0.043 120.439 120.400 -0.005 0.000 2.209 1388 K HA -0.065 4.251 4.320 -0.006 0.000 0.204 1388 K C 1.774 178.384 176.600 0.017 0.000 1.048 1388 K CA 1.227 57.498 56.287 -0.027 0.000 0.940 1388 K CB 0.010 32.480 32.500 -0.051 0.000 0.729 1388 K HN 0.217 nan 8.250 nan 0.000 0.451 1389 L N 0.106 121.349 121.223 0.034 0.000 2.162 1389 L HA -0.097 4.240 4.340 -0.006 0.000 0.205 1389 L C 2.141 179.041 176.870 0.050 0.000 1.086 1389 L CA 0.846 55.716 54.840 0.049 0.000 0.778 1389 L CB -0.464 41.623 42.059 0.048 0.000 0.928 1389 L HN 0.269 nan 8.230 nan 0.000 0.446 1390 D N 0.706 121.132 120.400 0.043 0.000 2.117 1390 D HA -0.201 4.436 4.640 -0.006 0.000 0.197 1390 D C 1.977 178.292 176.300 0.025 0.000 0.987 1390 D CA 1.332 55.350 54.000 0.029 0.000 0.829 1390 D CB 0.209 41.021 40.800 0.021 0.000 0.961 1390 D HN 0.273 nan 8.370 nan 0.000 0.460 1391 E N -0.191 120.034 120.200 0.041 0.000 2.153 1391 E HA -0.120 4.227 4.350 -0.006 0.000 0.194 1391 E C 2.056 178.709 176.600 0.089 0.000 0.988 1391 E CA 0.869 57.313 56.400 0.073 0.000 0.811 1391 E CB -0.055 29.705 29.700 0.099 0.000 0.746 1391 E HN 0.308 nan 8.360 nan 0.000 0.466 1392 A N 0.992 123.860 122.820 0.080 0.000 1.877 1392 A HA -0.155 4.161 4.320 -0.006 0.000 0.216 1392 A C 2.460 180.106 177.584 0.105 0.000 1.186 1392 A CA 1.513 53.608 52.037 0.097 0.000 0.620 1392 A CB -0.923 18.137 19.000 0.100 0.000 0.822 1392 A HN 0.265 nan 8.150 nan 0.000 0.443 1393 V N -0.784 119.182 119.914 0.087 0.000 2.594 1393 V HA -0.082 4.035 4.120 -0.006 0.000 0.253 1393 V C 2.416 178.578 176.094 0.115 0.000 1.069 1393 V CA 2.222 64.582 62.300 0.099 0.000 1.082 1393 V CB -0.915 30.935 31.823 0.044 0.000 0.680 1393 V HN 0.576 nan 8.190 nan 0.000 0.469 1394 A N 0.119 122.977 122.820 0.062 0.000 1.873 1394 A HA -0.225 4.092 4.320 -0.006 0.000 0.215 1394 A C 2.255 179.924 177.584 0.142 0.000 1.186 1394 A CA 1.837 53.909 52.037 0.058 0.000 0.616 1394 A CB -0.720 18.313 19.000 0.055 0.000 0.823 1394 A HN 0.739 nan 8.150 nan 0.000 0.442 1395 E N -0.144 120.137 120.200 0.135 0.000 2.268 1395 E HA -0.041 4.305 4.350 -0.006 0.000 0.195 1395 E C 1.866 178.537 176.600 0.117 0.000 0.995 1395 E CA 0.808 57.283 56.400 0.125 0.000 0.836 1395 E CB -0.222 29.546 29.700 0.113 0.000 0.763 1395 E HN 0.545 nan 8.360 nan 0.000 0.491 1396 A N -0.177 122.724 122.820 0.135 0.000 2.067 1396 A HA -0.144 4.172 4.320 -0.006 0.000 0.219 1396 A C 1.268 178.800 177.584 -0.086 0.000 1.158 1396 A CA 1.417 53.469 52.037 0.025 0.000 0.661 1396 A CB -0.529 18.465 19.000 -0.010 0.000 0.801 1396 A HN 0.330 nan 8.150 nan 0.000 0.452 1397 H N -1.676 117.380 119.070 -0.023 0.000 2.582 1397 H HA 0.293 4.844 4.556 -0.007 0.000 0.269 1397 H C -0.164 175.241 175.328 0.129 0.000 0.962 1397 H CA -0.298 55.762 56.048 0.020 0.000 1.230 1397 H CB -0.006 29.700 29.762 -0.093 0.000 1.445 1397 H HN 0.273 nan 8.280 nan 0.000 0.528 1398 L N 0.491 121.832 121.223 0.197 0.000 2.453 1398 L HA 0.286 4.622 4.340 -0.006 0.000 0.272 1398 L C 1.516 178.442 176.870 0.094 0.000 1.182 1398 L CA 1.376 56.299 54.840 0.138 0.000 0.858 1398 L CB 0.482 42.603 42.059 0.103 0.000 1.120 1398 L HN 0.595 nan 8.230 nan 0.000 0.474 1399 G N 2.389 111.234 108.800 0.076 0.000 2.981 1399 G HA2 -0.232 3.725 3.960 -0.006 0.000 0.199 1399 G HA3 -0.232 3.725 3.960 -0.006 0.000 0.199 1399 G C 1.242 176.171 174.900 0.048 0.000 1.586 1399 G CA 0.192 45.320 45.100 0.047 0.000 1.162 1399 G HN 0.515 nan 8.290 nan 0.000 0.538 1400 K N 0.871 121.315 120.400 0.074 0.000 2.097 1400 K HA 0.182 4.499 4.320 -0.006 0.000 0.206 1400 K C 2.537 179.168 176.600 0.052 0.000 1.049 1400 K CA 1.533 57.865 56.287 0.075 0.000 0.933 1400 K CB -0.256 32.336 32.500 0.153 0.000 0.717 1400 K HN 0.489 nan 8.250 nan 0.000 0.442 1401 L N 0.747 122.020 121.223 0.083 0.000 2.465 1401 L HA -0.071 4.266 4.340 -0.006 0.000 0.224 1401 L C 0.347 177.226 176.870 0.016 0.000 1.145 1401 L CA 0.179 55.035 54.840 0.028 0.000 0.834 1401 L CB -0.393 41.713 42.059 0.079 0.000 0.944 1401 L HN 0.301 nan 8.230 nan 0.000 0.451 1402 N N -0.083 118.635 118.700 0.029 0.000 2.758 1402 N HA -0.156 4.581 4.740 -0.006 0.000 0.248 1402 N C -0.756 174.764 175.510 0.017 0.000 1.076 1402 N CA 0.270 53.330 53.050 0.017 0.000 0.696 1402 N CB -1.165 37.324 38.487 0.003 0.000 0.979 1402 N HN -0.030 nan 8.380 nan 0.000 0.550 1403 V N 0.984 120.916 119.914 0.031 0.000 2.439 1403 V HA 0.250 4.366 4.120 -0.006 0.000 0.282 1403 V C 0.778 176.887 176.094 0.025 0.000 1.039 1403 V CA -0.437 61.880 62.300 0.029 0.000 0.913 1403 V CB 1.772 33.622 31.823 0.045 0.000 0.983 1403 V HN 0.007 nan 8.190 nan 0.000 0.460 1404 K N 4.729 125.138 120.400 0.015 0.000 2.354 1404 K HA 0.351 4.668 4.320 -0.006 0.000 0.257 1404 K C -0.795 175.808 176.600 0.005 0.000 1.062 1404 K CA -0.738 55.555 56.287 0.010 0.000 0.971 1404 K CB 1.228 33.730 32.500 0.004 0.000 1.305 1404 K HN 0.390 nan 8.250 nan 0.000 0.449 1405 L N 2.988 124.215 121.223 0.008 0.000 2.416 1405 L HA 0.080 4.416 4.340 -0.006 0.000 0.272 1405 L C 0.612 177.471 176.870 -0.018 0.000 1.161 1405 L CA 0.537 55.373 54.840 -0.007 0.000 0.845 1405 L CB 0.989 43.050 42.059 0.005 0.000 1.119 1405 L HN 0.567 nan 8.230 nan 0.000 0.464 1406 T N 2.730 117.259 114.554 -0.041 0.000 2.922 1406 T HA 0.383 4.730 4.350 -0.006 0.000 0.285 1406 T C -0.040 174.625 174.700 -0.058 0.000 1.005 1406 T CA -0.828 61.248 62.100 -0.041 0.000 1.061 1406 T CB 0.793 69.635 68.868 -0.043 0.000 1.007 1406 T HN 0.509 nan 8.240 nan 0.000 0.502 1407 K N 2.484 122.865 120.400 -0.032 0.000 2.185 1407 K HA 0.366 4.683 4.320 -0.006 0.000 0.269 1407 K C -0.517 176.073 176.600 -0.016 0.000 0.987 1407 K CA -0.868 55.408 56.287 -0.018 0.000 0.865 1407 K CB 1.476 33.985 32.500 0.015 0.000 1.090 1407 K HN 0.492 nan 8.250 nan 0.000 0.450 1408 L N 2.907 124.123 121.223 -0.012 0.000 2.490 1408 L HA 0.016 4.353 4.340 -0.006 0.000 0.274 1408 L C 0.878 177.767 176.870 0.032 0.000 1.201 1408 L CA 0.681 55.527 54.840 0.010 0.000 0.869 1408 L CB 0.442 42.529 42.059 0.048 0.000 1.123 1408 L HN 0.707 nan 8.230 nan 0.000 0.484 1409 T N 0.077 114.646 114.554 0.025 0.000 2.849 1409 T HA 0.164 4.511 4.350 -0.006 0.000 0.284 1409 T C 0.994 175.718 174.700 0.041 0.000 1.004 1409 T CA -0.381 61.734 62.100 0.026 0.000 1.021 1409 T CB 0.823 69.699 68.868 0.013 0.000 1.013 1409 T HN 0.569 nan 8.240 nan 0.000 0.527 1410 E N 0.675 120.898 120.200 0.037 0.000 2.118 1410 E HA -0.159 4.187 4.350 -0.006 0.000 0.195 1410 E C 1.993 178.623 176.600 0.050 0.000 0.992 1410 E CA 1.608 58.034 56.400 0.044 0.000 0.804 1410 E CB -0.277 29.444 29.700 0.034 0.000 0.741 1410 E HN 0.762 nan 8.360 nan 0.000 0.458 1411 K N -0.157 120.268 120.400 0.041 0.000 1.985 1411 K HA -0.207 4.110 4.320 -0.006 0.000 0.210 1411 K C 2.308 178.956 176.600 0.081 0.000 1.047 1411 K CA 1.873 58.188 56.287 0.046 0.000 0.932 1411 K CB -0.118 32.392 32.500 0.016 0.000 0.716 1411 K HN 0.199 nan 8.250 nan 0.000 0.439 1412 Q N -0.235 119.605 119.800 0.066 0.000 2.124 1412 Q HA -0.141 4.195 4.340 -0.006 0.000 0.202 1412 Q C 2.073 178.164 176.000 0.153 0.000 0.977 1412 Q CA 1.452 57.321 55.803 0.109 0.000 0.850 1412 Q CB -0.171 28.601 28.738 0.057 0.000 0.901 1412 Q HN 0.402 nan 8.270 nan 0.000 0.429 1413 A N 1.191 124.076 122.820 0.110 0.000 1.902 1413 A HA -0.231 4.085 4.320 -0.006 0.000 0.217 1413 A C 2.070 179.712 177.584 0.098 0.000 1.181 1413 A CA 1.323 53.425 52.037 0.109 0.000 0.623 1413 A CB -0.377 18.681 19.000 0.097 0.000 0.818 1413 A HN 0.298 nan 8.150 nan 0.000 0.443 1414 Q N -1.948 117.910 119.800 0.097 0.000 2.119 1414 Q HA -0.184 4.152 4.340 -0.006 0.000 0.201 1414 Q C 2.012 178.069 176.000 0.096 0.000 0.972 1414 Q CA 1.640 57.492 55.803 0.081 0.000 0.847 1414 Q CB -0.400 28.384 28.738 0.077 0.000 0.903 1414 Q HN 0.843 nan 8.270 nan 0.000 0.433 1415 Y N 1.538 121.848 120.300 0.016 0.000 2.114 1415 Y HA -0.174 4.372 4.550 -0.006 0.000 0.284 1415 Y C 1.940 177.849 175.900 0.014 0.000 1.143 1415 Y CA 1.325 59.432 58.100 0.013 0.000 1.135 1415 Y CB -0.318 38.147 38.460 0.009 0.000 0.980 1415 Y HN -0.017 nan 8.280 nan 0.000 0.499 1416 L N -0.143 121.094 121.223 0.024 0.000 2.465 1416 L HA 0.047 4.384 4.340 -0.006 0.000 0.224 1416 L C 1.507 178.344 176.870 -0.055 0.000 1.145 1416 L CA 0.783 55.595 54.840 -0.047 0.000 0.834 1416 L CB -1.018 41.082 42.059 0.069 0.000 0.944 1416 L HN 0.549 nan 8.230 nan 0.000 0.451 1417 G N 1.634 110.416 108.800 -0.030 0.000 2.295 1417 G HA2 -0.302 3.655 3.960 -0.006 0.000 0.287 1417 G HA3 -0.302 3.655 3.960 -0.006 0.000 0.287 1417 G C -0.004 174.895 174.900 -0.001 0.000 1.055 1417 G CA 0.788 45.874 45.100 -0.023 0.000 0.922 1417 G HN 0.434 nan 8.290 nan 0.000 0.503 1418 M N -1.894 117.724 119.600 0.030 0.000 2.569 1418 M HA 0.774 5.250 4.480 -0.006 0.000 0.279 1418 M C -3.062 173.273 176.300 0.057 0.000 1.253 1418 M CA -2.411 52.911 55.300 0.037 0.000 0.867 1418 M CB 1.975 34.618 32.600 0.071 0.000 1.727 1418 M HN -0.095 nan 8.290 nan 0.000 0.467 1419 P HA 0.311 nan 4.420 nan 0.000 0.275 1419 P C 0.618 177.984 177.300 0.110 0.000 1.228 1419 P CA -0.390 62.724 63.100 0.023 0.000 0.786 1419 P CB 0.648 32.319 31.700 -0.047 0.000 0.927 1420 I N 0.781 121.427 120.570 0.127 0.000 2.335 1420 I HA -0.244 3.923 4.170 -0.006 0.000 0.251 1420 I C 1.078 177.378 176.117 0.304 0.000 1.129 1420 I CA 1.562 62.984 61.300 0.204 0.000 1.402 1420 I CB -0.445 37.628 38.000 0.122 0.000 1.069 1420 I HN 0.411 nan 8.210 nan 0.000 0.424 1421 N N 0.134 118.912 118.700 0.130 0.000 2.382 1421 N HA 0.087 4.824 4.740 -0.006 0.000 0.200 1421 N C 1.102 176.444 175.510 -0.279 0.000 1.122 1421 N CA 0.310 53.403 53.050 0.072 0.000 0.870 1421 N CB -0.036 38.486 38.487 0.058 0.000 1.176 1421 N HN 0.185 nan 8.380 nan 0.000 0.474 1422 G N 3.106 111.750 108.800 -0.260 0.000 2.825 1422 G HA2 0.077 4.033 3.960 -0.006 0.000 0.241 1422 G HA3 0.077 4.033 3.960 -0.006 0.000 0.241 1422 G C -2.322 172.175 174.900 -0.671 0.000 1.239 1422 G CA -0.386 44.520 45.100 -0.323 0.000 0.859 1422 G HN 0.009 nan 8.290 nan 0.000 0.598 1423 P HA -0.026 nan 4.420 nan 0.000 0.264 1423 P C -0.248 176.745 177.300 -0.511 0.000 1.179 1423 P CA 0.320 63.146 63.100 -0.457 0.000 0.763 1423 P CB 0.314 31.902 31.700 -0.186 0.000 0.806 1424 F N 1.056 120.997 119.950 -0.017 0.000 2.727 1424 F HA 0.227 4.752 4.527 -0.003 0.000 0.302 1424 F C 1.323 177.037 175.800 -0.145 0.000 1.097 1424 F CA 0.576 58.542 58.000 -0.057 0.000 1.330 1424 F CB 0.091 39.069 39.000 -0.035 0.000 1.084 1424 F HN 0.077 nan 8.300 nan 0.000 0.578 1425 K N -0.041 120.331 120.400 -0.046 0.000 2.536 1425 K HA 0.456 4.773 4.320 -0.006 0.000 0.269 1425 K C -2.975 173.522 176.600 -0.172 0.000 0.965 1425 K CA -1.776 54.371 56.287 -0.233 0.000 0.860 1425 K CB 1.707 33.913 32.500 -0.490 0.000 1.423 1425 K HN -0.296 nan 8.250 nan 0.000 0.438 1426 P HA 0.186 nan 4.420 nan 0.000 0.276 1426 P C -0.027 177.143 177.300 -0.217 0.000 1.244 1426 P CA -0.308 62.644 63.100 -0.248 0.000 0.801 1426 P CB 0.555 31.982 31.700 -0.456 0.000 1.006 1427 D N -0.231 120.104 120.400 -0.109 0.000 2.149 1427 D HA -0.188 4.448 4.640 -0.006 0.000 0.198 1427 D C 1.601 177.874 176.300 -0.046 0.000 0.990 1427 D CA 1.492 55.467 54.000 -0.042 0.000 0.839 1427 D CB -0.564 40.240 40.800 0.007 0.000 0.948 1427 D HN 0.645 nan 8.370 nan 0.000 0.460 1428 H N -1.105 117.979 119.070 0.024 0.000 2.546 1428 H HA -0.103 4.450 4.556 -0.005 0.000 0.277 1428 H C 0.294 175.624 175.328 0.003 0.000 1.004 1428 H CA -0.073 55.978 56.048 0.004 0.000 1.231 1428 H CB -0.764 29.000 29.762 0.004 0.000 1.382 1428 H HN 0.121 nan 8.280 nan 0.000 0.580 1429 Y N 3.273 123.324 120.300 -0.415 0.000 2.632 1429 Y HA 0.079 4.624 4.550 -0.007 0.000 0.329 1429 Y C 0.046 175.770 175.900 -0.294 0.000 1.174 1429 Y CA -0.236 57.641 58.100 -0.371 0.000 1.469 1429 Y CB 0.391 38.528 38.460 -0.539 0.000 1.242 1429 Y HN 0.136 nan 8.280 nan 0.000 0.540 1430 R N 6.308 126.385 120.500 -0.705 0.000 2.275 1430 R HA 0.247 4.583 4.340 -0.006 0.000 0.326 1430 R C -1.044 174.849 176.300 -0.679 0.000 0.973 1430 R CA -0.736 55.109 56.100 -0.425 0.000 0.854 1430 R CB 0.536 30.698 30.300 -0.231 0.000 1.156 1430 R HN 0.534 nan 8.270 nan 0.000 0.487 1431 Y N 0.000 120.107 120.300 -0.321 0.000 2.660 1431 Y HA 0.000 4.546 4.550 -0.007 0.000 0.201 1431 Y CA 0.000 58.013 58.100 -0.145 0.000 1.940 1431 Y CB 0.000 38.521 38.460 0.101 0.000 1.050 1431 Y HN 0.000 nan 8.280 nan 0.000 0.758