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 2e2d_1_C DATA FIRST_RESID 1001 DATA SEQUENCE cScSPVHPQQ AFcNADIVIR AKAVNKKEVD SGNDIYGNPI KRIQYEIKQI DATA SEQUENCE KMFKGPDQDI EFIYTAPAAA VcGVSLDIGG KKEYLIAGKA EGNGNMHITL DATA SEQUENCE cDFIVPWDTL SATQKKSLNH RYQMGcEcKI TRcPMIPcYI SSPDEcLWMD DATA SEQUENCE WVTEKNINGH QAKFFAcIKR SDGScAWYRG VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1001 c HA 0.000 nan 4.570 nan 0.000 0.325 1001 c C 0.000 174.090 174.090 0.000 0.000 1.270 1001 c CA 0.000 56.333 56.329 0.007 0.000 1.963 1001 c CB 0.000 42.515 42.510 0.009 0.000 2.134 1002 S N 3.557 119.258 115.700 0.001 0.000 2.532 1002 S HA 0.827 5.297 4.470 0.000 0.000 0.299 1002 S C -0.698 173.902 174.600 -0.001 0.000 1.105 1002 S CA -0.432 57.763 58.200 -0.007 0.000 1.018 1002 S CB 1.337 64.531 63.200 -0.010 0.000 1.021 1002 S HN 0.925 nan 8.310 nan 0.000 0.483 1003 c N 2.544 121.140 118.600 -0.006 0.000 2.634 1003 c HA 0.739 5.309 4.570 0.000 0.000 0.313 1003 c C 0.690 174.785 174.090 0.008 0.000 1.198 1003 c CA -1.108 55.227 56.329 0.009 0.000 1.605 1003 c CB 1.417 43.936 42.510 0.014 0.000 2.196 1003 c HN 0.952 nan 8.230 nan 0.000 0.486 1004 S N 3.155 118.873 115.700 0.030 0.000 2.564 1004 S HA 0.422 4.892 4.470 0.000 0.000 0.278 1004 S C -2.260 172.389 174.600 0.082 0.000 1.333 1004 S CA -0.475 57.750 58.200 0.043 0.000 1.048 1004 S CB 0.137 63.373 63.200 0.060 0.000 0.900 1004 S HN 0.692 nan 8.310 nan 0.000 0.505 1005 P HA 0.339 nan 4.420 nan 0.000 0.275 1005 P C -0.590 176.951 177.300 0.401 0.000 1.227 1005 P CA -0.454 62.764 63.100 0.196 0.000 0.781 1005 P CB 1.013 32.748 31.700 0.058 0.000 0.906 1006 V N 0.726 120.893 119.914 0.422 0.000 2.760 1006 V HA 0.431 4.551 4.120 0.000 0.000 0.309 1006 V C -0.575 175.501 176.094 -0.030 0.000 1.077 1006 V CA -0.990 61.437 62.300 0.212 0.000 0.910 1006 V CB 1.409 33.313 31.823 0.136 0.000 1.008 1006 V HN 0.722 nan 8.190 nan 0.000 0.424 1007 H N 5.917 124.512 119.070 -0.791 0.000 2.629 1007 H HA 0.438 4.994 4.556 0.000 0.000 0.357 1007 H C -1.894 173.045 175.328 -0.648 0.000 1.121 1007 H CA -1.246 54.232 56.048 -0.949 0.000 1.406 1007 H CB 2.190 31.140 29.762 -1.352 0.000 1.456 1007 H HN 0.529 nan 8.280 nan 0.000 0.579 1008 P HA -0.239 nan 4.420 nan 0.000 0.216 1008 P C 1.251 178.016 177.300 -0.892 0.000 1.150 1008 P CA 1.479 64.040 63.100 -0.899 0.000 0.843 1008 P CB 0.105 31.389 31.700 -0.694 0.000 0.787 1009 Q N -0.303 118.977 119.800 -0.867 0.000 2.084 1009 Q HA -0.235 4.105 4.340 0.000 0.000 0.202 1009 Q C 2.221 177.973 176.000 -0.413 0.000 0.978 1009 Q CA 1.518 56.761 55.803 -0.933 0.000 0.844 1009 Q CB -0.325 28.004 28.738 -0.682 0.000 0.898 1009 Q HN 0.300 nan 8.270 nan 0.000 0.426 1010 Q N -0.219 119.369 119.800 -0.354 0.000 2.050 1010 Q HA -0.171 4.169 4.340 0.000 0.000 0.202 1010 Q C 2.116 178.023 176.000 -0.154 0.000 0.980 1010 Q CA 1.456 57.135 55.803 -0.208 0.000 0.840 1010 Q CB -0.223 28.410 28.738 -0.174 0.000 0.898 1010 Q HN 0.487 nan 8.270 nan 0.000 0.424 1011 A N 0.579 123.262 122.820 -0.228 0.000 1.883 1011 A HA -0.214 4.106 4.320 0.000 0.000 0.217 1011 A C 1.885 179.412 177.584 -0.096 0.000 1.186 1011 A CA 1.295 53.235 52.037 -0.162 0.000 0.624 1011 A CB -0.849 17.955 19.000 -0.327 0.000 0.822 1011 A HN 0.451 nan 8.150 nan 0.000 0.444 1012 F N 0.462 120.251 119.950 -0.267 0.000 2.075 1012 F HA -0.252 4.275 4.527 0.000 0.000 0.297 1012 F C 2.518 178.282 175.800 -0.060 0.000 1.113 1012 F CA 1.974 59.898 58.000 -0.127 0.000 1.218 1012 F CB -0.611 38.317 39.000 -0.121 0.000 0.984 1012 F HN 0.301 nan 8.300 nan 0.000 0.472 1013 c N 0.812 119.499 118.600 0.146 0.000 2.425 1013 c HA -0.157 4.413 4.570 0.000 0.000 0.277 1013 c C 2.414 176.486 174.090 -0.030 0.000 1.280 1013 c CA 1.317 57.694 56.329 0.080 0.000 1.744 1013 c CB -1.436 41.114 42.510 0.066 0.000 1.989 1013 c HN 0.544 nan 8.230 nan 0.000 0.491 1014 N N 1.055 119.728 118.700 -0.044 0.000 2.395 1014 N HA 0.122 4.862 4.740 0.000 0.000 0.175 1014 N C 0.591 176.075 175.510 -0.044 0.000 1.029 1014 N CA 0.637 53.666 53.050 -0.035 0.000 0.897 1014 N CB -0.316 38.159 38.487 -0.021 0.000 0.991 1014 N HN 0.487 nan 8.380 nan 0.000 0.441 1015 A N 0.790 123.566 122.820 -0.074 0.000 2.371 1015 A HA 0.175 4.495 4.320 0.000 0.000 0.257 1015 A C 0.672 178.206 177.584 -0.084 0.000 1.089 1015 A CA -0.350 51.651 52.037 -0.060 0.000 0.794 1015 A CB 0.495 19.462 19.000 -0.055 0.000 1.029 1015 A HN 0.003 nan 8.150 nan 0.000 0.488 1016 D N 0.511 120.888 120.400 -0.038 0.000 2.117 1016 D HA 0.015 4.655 4.640 0.000 0.000 0.198 1016 D C 0.374 176.645 176.300 -0.049 0.000 0.982 1016 D CA 1.617 55.597 54.000 -0.033 0.000 0.828 1016 D CB -0.003 40.799 40.800 0.003 0.000 0.967 1016 D HN 0.546 nan 8.370 nan 0.000 0.464 1017 I N 0.370 120.923 120.570 -0.029 0.000 2.545 1017 I HA 0.269 4.439 4.170 0.000 0.000 0.292 1017 I C -0.950 175.167 176.117 0.001 0.000 1.040 1017 I CA -0.810 60.484 61.300 -0.011 0.000 1.068 1017 I CB 3.115 41.133 38.000 0.029 0.000 1.251 1017 I HN -0.395 nan 8.210 nan 0.000 0.424 1018 V N 6.651 126.585 119.914 0.035 0.000 2.482 1018 V HA 0.536 4.656 4.120 0.000 0.000 0.295 1018 V C -0.313 175.970 176.094 0.314 0.000 1.026 1018 V CA -0.451 61.944 62.300 0.159 0.000 0.856 1018 V CB 1.718 33.612 31.823 0.118 0.000 1.001 1018 V HN 0.606 nan 8.190 nan 0.000 0.424 1019 I N 1.463 122.217 120.570 0.307 0.000 3.042 1019 I HA 0.755 4.925 4.170 0.000 0.000 0.310 1019 I C -0.595 175.721 176.117 0.332 0.000 1.117 1019 I CA -1.201 60.255 61.300 0.261 0.000 1.003 1019 I CB 2.409 40.464 38.000 0.092 0.000 1.228 1019 I HN 0.580 nan 8.210 nan 0.000 0.443 1020 R N 3.052 123.674 120.500 0.204 0.000 2.338 1020 R HA 0.873 5.213 4.340 0.000 0.000 0.317 1020 R C -1.198 175.083 176.300 -0.032 0.000 0.968 1020 R CA -0.200 55.945 56.100 0.076 0.000 0.849 1020 R CB 1.535 31.690 30.300 -0.241 0.000 1.128 1020 R HN 1.030 nan 8.270 nan 0.000 0.448 1021 A N 3.742 126.575 122.820 0.022 0.000 2.599 1021 A HA 0.493 4.813 4.320 0.000 0.000 0.290 1021 A C -1.747 175.875 177.584 0.064 0.000 1.101 1021 A CA -0.888 51.156 52.037 0.010 0.000 0.674 1021 A CB 1.793 20.807 19.000 0.023 0.000 1.277 1021 A HN 0.669 nan 8.150 nan 0.000 0.419 1022 K N 0.431 120.854 120.400 0.039 0.000 2.443 1022 K HA 0.730 5.050 4.320 0.000 0.000 0.252 1022 K C -0.657 175.986 176.600 0.071 0.000 0.933 1022 K CA -0.319 56.010 56.287 0.070 0.000 0.792 1022 K CB 1.995 34.497 32.500 0.004 0.000 1.185 1022 K HN 1.256 nan 8.250 nan 0.000 0.425 1023 A N 2.874 125.766 122.820 0.120 0.000 2.301 1023 A HA 0.434 4.754 4.320 0.000 0.000 0.312 1023 A C 0.476 178.130 177.584 0.116 0.000 1.182 1023 A CA -0.518 51.583 52.037 0.107 0.000 0.826 1023 A CB 0.800 19.858 19.000 0.096 0.000 1.134 1023 A HN 0.702 nan 8.150 nan 0.000 0.501 1024 V N -0.469 119.504 119.914 0.098 0.000 3.548 1024 V HA 0.389 4.509 4.120 0.000 0.000 0.279 1024 V C 0.231 176.369 176.094 0.074 0.000 1.446 1024 V CA 0.554 62.895 62.300 0.070 0.000 1.023 1024 V CB -1.082 30.759 31.823 0.030 0.000 0.820 1024 V HN 0.754 nan 8.190 nan 0.000 0.438 1025 N N -0.341 118.416 118.700 0.096 0.000 2.598 1025 N HA 0.489 5.229 4.740 0.000 0.000 0.263 1025 N C -1.611 173.907 175.510 0.014 0.000 1.254 1025 N CA -0.643 52.441 53.050 0.057 0.000 0.863 1025 N CB 2.392 40.903 38.487 0.040 0.000 1.586 1025 N HN 0.142 nan 8.380 nan 0.000 0.491 1026 K N 1.737 122.082 120.400 -0.092 0.000 2.316 1026 K HA 0.500 4.820 4.320 0.000 0.000 0.251 1026 K C -1.488 174.990 176.600 -0.204 0.000 0.934 1026 K CA -0.621 55.478 56.287 -0.313 0.000 0.802 1026 K CB 2.005 34.317 32.500 -0.313 0.000 1.171 1026 K HN 0.447 nan 8.250 nan 0.000 0.426 1027 K N 2.002 122.261 120.400 -0.236 0.000 2.542 1027 K HA 0.148 4.468 4.320 0.000 0.000 0.259 1027 K C -1.570 174.953 176.600 -0.128 0.000 0.932 1027 K CA -0.553 55.653 56.287 -0.135 0.000 0.820 1027 K CB 2.126 34.572 32.500 -0.089 0.000 1.345 1027 K HN 0.590 nan 8.250 nan 0.000 0.432 1028 E N 2.610 122.764 120.200 -0.077 0.000 2.283 1028 E HA 0.320 4.670 4.350 0.000 0.000 0.278 1028 E C -1.245 175.345 176.600 -0.017 0.000 1.027 1028 E CA -0.688 55.686 56.400 -0.043 0.000 0.843 1028 E CB 1.355 31.038 29.700 -0.030 0.000 1.062 1028 E HN 0.282 nan 8.360 nan 0.000 0.401 1029 V N 4.068 123.992 119.914 0.016 0.000 2.656 1029 V HA 0.166 4.286 4.120 0.000 0.000 0.307 1029 V C -0.637 175.471 176.094 0.023 0.000 1.051 1029 V CA -1.067 61.250 62.300 0.028 0.000 0.893 1029 V CB 2.046 33.916 31.823 0.078 0.000 0.999 1029 V HN 0.705 nan 8.190 nan 0.000 0.426 1030 D N 2.387 122.790 120.400 0.006 0.000 2.390 1030 D HA 0.326 4.966 4.640 0.000 0.000 0.249 1030 D C 0.312 176.607 176.300 -0.008 0.000 1.144 1030 D CA 0.229 54.228 54.000 -0.000 0.000 0.880 1030 D CB 1.440 42.236 40.800 -0.006 0.000 1.182 1030 D HN 0.561 nan 8.370 nan 0.000 0.451 1031 S N 0.776 116.471 115.700 -0.008 0.000 2.977 1031 S HA 0.521 4.991 4.470 0.000 0.000 0.250 1031 S C 0.641 175.229 174.600 -0.021 0.000 1.005 1031 S CA -0.208 57.978 58.200 -0.023 0.000 1.081 1031 S CB 0.827 64.012 63.200 -0.026 0.000 1.018 1031 S HN 0.836 nan 8.310 nan 0.000 0.539 1032 G N 2.228 111.019 108.800 -0.015 0.000 2.545 1032 G HA2 -0.140 3.820 3.960 0.000 0.000 0.216 1032 G HA3 -0.140 3.820 3.960 0.000 0.000 0.216 1032 G C -1.268 173.629 174.900 -0.004 0.000 1.314 1032 G CA -0.861 44.231 45.100 -0.013 0.000 0.906 1032 G HN 0.440 nan 8.290 nan 0.000 0.563 1033 N N 0.883 119.580 118.700 -0.005 0.000 2.229 1033 N HA 0.575 5.315 4.740 0.000 0.000 0.298 1033 N C -0.431 175.079 175.510 0.000 0.000 1.114 1033 N CA -0.165 52.888 53.050 0.005 0.000 0.776 1033 N CB 1.929 40.419 38.487 0.006 0.000 1.501 1033 N HN 0.966 nan 8.380 nan 0.000 0.474 1034 D N -0.028 120.382 120.400 0.017 0.000 2.440 1034 D HA 0.091 4.731 4.640 0.000 0.000 0.269 1034 D C 1.397 177.678 176.300 -0.033 0.000 1.249 1034 D CA -0.430 53.574 54.000 0.008 0.000 1.055 1034 D CB 0.389 41.224 40.800 0.059 0.000 1.104 1034 D HN 0.584 nan 8.370 nan 0.000 0.561 1035 I N -3.435 117.059 120.570 -0.126 0.000 2.676 1035 I HA -0.097 4.073 4.170 0.000 0.000 0.259 1035 I C 0.970 176.903 176.117 -0.308 0.000 1.194 1035 I CA 0.705 61.849 61.300 -0.259 0.000 1.473 1035 I CB -0.531 37.230 38.000 -0.399 0.000 1.096 1035 I HN 0.149 nan 8.210 nan 0.000 0.443 1036 Y N 2.045 122.343 120.300 -0.003 0.000 2.466 1036 Y HA 0.406 4.956 4.550 0.000 0.000 0.272 1036 Y C 2.003 177.902 175.900 -0.003 0.000 1.169 1036 Y CA 0.274 58.372 58.100 -0.002 0.000 1.285 1036 Y CB 0.329 38.788 38.460 -0.001 0.000 1.078 1036 Y HN 0.391 nan 8.280 nan 0.000 0.523 1037 G N -0.283 108.578 108.800 0.102 0.000 2.175 1037 G HA2 -0.269 3.691 3.960 0.000 0.000 0.244 1037 G HA3 -0.269 3.691 3.960 0.000 0.000 0.244 1037 G C -0.034 174.905 174.900 0.064 0.000 0.982 1037 G CA -0.291 44.849 45.100 0.066 0.000 0.641 1037 G HN 0.284 nan 8.290 nan 0.000 0.527 1038 N N 2.300 121.054 118.700 0.090 0.000 2.483 1038 N HA 0.344 5.084 4.740 0.000 0.000 0.264 1038 N C -2.648 172.888 175.510 0.043 0.000 1.197 1038 N CA -0.606 52.482 53.050 0.063 0.000 0.927 1038 N CB 0.926 39.457 38.487 0.073 0.000 1.065 1038 N HN 0.165 nan 8.380 nan 0.000 0.461 1039 P HA 0.177 nan 4.420 nan 0.000 0.268 1039 P C -0.132 177.182 177.300 0.023 0.000 1.204 1039 P CA 0.190 63.302 63.100 0.020 0.000 0.768 1039 P CB 0.612 32.321 31.700 0.015 0.000 0.842 1040 I N 3.241 123.822 120.570 0.018 0.000 2.377 1040 I HA 0.344 4.514 4.170 0.000 0.000 0.293 1040 I C 0.527 176.655 176.117 0.018 0.000 0.987 1040 I CA -0.582 60.730 61.300 0.020 0.000 1.185 1040 I CB 1.324 39.332 38.000 0.014 0.000 1.341 1040 I HN 0.121 nan 8.210 nan 0.000 0.455 1041 K N 5.339 125.755 120.400 0.027 0.000 2.328 1041 K HA 0.656 4.976 4.320 0.000 0.000 0.246 1041 K C -0.966 175.668 176.600 0.056 0.000 0.955 1041 K CA -0.762 55.544 56.287 0.032 0.000 0.817 1041 K CB 1.956 34.471 32.500 0.024 0.000 1.208 1041 K HN 0.397 nan 8.250 nan 0.000 0.432 1042 R N 1.436 121.984 120.500 0.080 0.000 2.740 1042 R HA 0.522 4.862 4.340 0.000 0.000 0.282 1042 R C -0.466 175.907 176.300 0.123 0.000 0.969 1042 R CA -1.009 55.177 56.100 0.144 0.000 0.918 1042 R CB 1.200 31.636 30.300 0.227 0.000 1.175 1042 R HN 0.371 nan 8.270 nan 0.000 0.464 1043 I N 2.359 122.988 120.570 0.098 0.000 2.395 1043 I HA 0.135 4.305 4.170 0.000 0.000 0.289 1043 I C 0.206 176.276 176.117 -0.078 0.000 1.023 1043 I CA 0.021 61.301 61.300 -0.034 0.000 1.350 1043 I CB 1.156 39.107 38.000 -0.081 0.000 1.409 1043 I HN 0.550 nan 8.210 nan 0.000 0.507 1044 Q N 6.437 126.093 119.800 -0.241 0.000 2.348 1044 Q HA 0.314 4.654 4.340 0.000 0.000 0.265 1044 Q C -1.839 173.956 176.000 -0.343 0.000 0.998 1044 Q CA -0.590 54.957 55.803 -0.425 0.000 0.831 1044 Q CB 1.082 29.573 28.738 -0.412 0.000 1.251 1044 Q HN 0.470 nan 8.270 nan 0.000 0.456 1045 Y N 1.982 122.185 120.300 -0.163 0.000 2.326 1045 Y HA 0.180 4.730 4.550 0.000 0.000 0.337 1045 Y C 0.209 176.124 175.900 0.026 0.000 1.023 1045 Y CA -0.491 57.578 58.100 -0.052 0.000 1.143 1045 Y CB 1.336 39.755 38.460 -0.069 0.000 1.183 1045 Y HN 0.565 nan 8.280 nan 0.000 0.485 1046 E N 5.529 125.838 120.200 0.182 0.000 2.229 1046 E HA 0.424 4.774 4.350 0.000 0.000 0.283 1046 E C -0.962 175.634 176.600 -0.007 0.000 1.030 1046 E CA -0.404 56.025 56.400 0.048 0.000 0.836 1046 E CB 0.574 30.314 29.700 0.067 0.000 1.068 1046 E HN 0.705 nan 8.360 nan 0.000 0.401 1047 I N 0.797 121.295 120.570 -0.120 0.000 3.002 1047 I HA 0.539 4.709 4.170 0.000 0.000 0.310 1047 I C -1.095 174.957 176.117 -0.109 0.000 1.087 1047 I CA -1.118 60.141 61.300 -0.069 0.000 1.017 1047 I CB 2.033 40.008 38.000 -0.042 0.000 1.226 1047 I HN 0.272 nan 8.210 nan 0.000 0.443 1048 K N 3.591 123.951 120.400 -0.067 0.000 2.339 1048 K HA 0.300 4.620 4.320 0.000 0.000 0.264 1048 K C -0.918 175.639 176.600 -0.071 0.000 0.986 1048 K CA -0.528 55.713 56.287 -0.076 0.000 0.866 1048 K CB 1.407 33.871 32.500 -0.060 0.000 1.103 1048 K HN 0.821 nan 8.250 nan 0.000 0.441 1049 Q N 5.413 125.164 119.800 -0.081 0.000 2.293 1049 Q HA 0.104 4.444 4.340 0.000 0.000 0.263 1049 Q C 0.278 176.215 176.000 -0.104 0.000 1.002 1049 Q CA -0.064 55.690 55.803 -0.081 0.000 0.910 1049 Q CB 0.828 29.520 28.738 -0.077 0.000 1.185 1049 Q HN 0.793 nan 8.270 nan 0.000 0.401 1050 I N 2.592 123.085 120.570 -0.129 0.000 2.429 1050 I HA -0.002 4.168 4.170 0.000 0.000 0.247 1050 I C 0.251 176.244 176.117 -0.206 0.000 1.099 1050 I CA 0.785 61.984 61.300 -0.168 0.000 1.422 1050 I CB 0.160 38.029 38.000 -0.217 0.000 1.112 1050 I HN 0.474 nan 8.210 nan 0.000 0.430 1051 K N 0.903 121.146 120.400 -0.261 0.000 2.562 1051 K HA 0.438 4.758 4.320 0.000 0.000 0.267 1051 K C -1.228 175.102 176.600 -0.450 0.000 0.938 1051 K CA -0.458 55.602 56.287 -0.377 0.000 0.840 1051 K CB 2.727 34.911 32.500 -0.527 0.000 1.390 1051 K HN -0.045 nan 8.250 nan 0.000 0.428 1052 M N 2.757 122.118 119.600 -0.399 0.000 2.149 1052 M HA 0.357 4.837 4.480 0.000 0.000 0.342 1052 M C -0.711 175.388 176.300 -0.336 0.000 1.068 1052 M CA -0.380 54.760 55.300 -0.267 0.000 0.991 1052 M CB 0.535 33.072 32.600 -0.106 0.000 1.596 1052 M HN 0.580 nan 8.290 nan 0.000 0.439 1053 F N 2.844 122.873 119.950 0.131 0.000 2.619 1053 F HA 0.328 4.855 4.527 -0.000 0.000 0.293 1053 F C 0.666 176.584 175.800 0.196 0.000 1.119 1053 F CA 0.242 58.374 58.000 0.219 0.000 1.445 1053 F CB 0.333 39.560 39.000 0.378 0.000 1.119 1053 F HN 0.469 nan 8.300 nan 0.000 0.573 1054 K N -0.230 120.296 120.400 0.210 0.000 2.569 1054 K HA 0.533 4.853 4.320 0.000 0.000 0.259 1054 K C -0.720 175.887 176.600 0.012 0.000 0.932 1054 K CA -0.103 56.222 56.287 0.063 0.000 0.833 1054 K CB 1.546 33.951 32.500 -0.159 0.000 1.340 1054 K HN 0.179 nan 8.250 nan 0.000 0.429 1055 G N 2.585 111.390 108.800 0.009 0.000 2.369 1055 G HA2 0.105 4.065 3.960 0.000 0.000 0.295 1055 G HA3 0.105 4.065 3.960 0.000 0.000 0.295 1055 G C -3.105 171.802 174.900 0.011 0.000 1.298 1055 G CA -1.059 44.044 45.100 0.004 0.000 0.940 1055 G HN 0.439 nan 8.290 nan 0.000 0.536 1056 P HA 0.293 nan 4.420 nan 0.000 0.269 1056 P C 0.145 177.450 177.300 0.008 0.000 1.209 1056 P CA -0.246 62.862 63.100 0.013 0.000 0.776 1056 P CB 0.584 32.295 31.700 0.018 0.000 0.876 1057 D N -0.072 120.332 120.400 0.007 0.000 2.178 1057 D HA -0.130 4.510 4.640 0.000 0.000 0.201 1057 D C 0.802 177.100 176.300 -0.002 0.000 0.980 1057 D CA 1.120 55.120 54.000 0.000 0.000 0.842 1057 D CB -0.145 40.656 40.800 0.001 0.000 0.948 1057 D HN 0.486 nan 8.370 nan 0.000 0.472 1058 Q N 1.585 121.388 119.800 0.006 0.000 2.262 1058 Q HA 0.010 4.350 4.340 0.000 0.000 0.272 1058 Q C -0.797 175.205 176.000 0.003 0.000 1.076 1058 Q CA -0.536 55.272 55.803 0.007 0.000 0.905 1058 Q CB 0.465 29.215 28.738 0.020 0.000 1.182 1058 Q HN -0.003 nan 8.270 nan 0.000 0.390 1059 D N 3.276 123.670 120.400 -0.011 0.000 2.449 1059 D HA -0.003 4.637 4.640 0.000 0.000 0.236 1059 D C -0.003 176.287 176.300 -0.017 0.000 1.149 1059 D CA 0.270 54.255 54.000 -0.025 0.000 0.878 1059 D CB 0.517 41.291 40.800 -0.044 0.000 1.198 1059 D HN 0.424 nan 8.370 nan 0.000 0.446 1060 I N 2.487 123.044 120.570 -0.020 0.000 2.396 1060 I HA 0.016 4.186 4.170 0.000 0.000 0.289 1060 I C 1.450 177.518 176.117 -0.081 0.000 1.056 1060 I CA 0.292 61.587 61.300 -0.010 0.000 1.365 1060 I CB 0.661 38.667 38.000 0.011 0.000 1.407 1060 I HN 0.378 nan 8.210 nan 0.000 0.509 1061 E N 4.557 124.669 120.200 -0.146 0.000 2.465 1061 E HA 0.177 4.527 4.350 0.000 0.000 0.209 1061 E C -0.680 175.493 176.600 -0.712 0.000 0.951 1061 E CA 0.430 56.576 56.400 -0.424 0.000 0.997 1061 E CB 0.828 30.209 29.700 -0.532 0.000 1.025 1061 E HN 0.392 nan 8.360 nan 0.000 0.500 1062 F N 0.356 120.317 119.950 0.019 0.000 2.578 1062 F HA 0.491 5.018 4.527 0.000 0.000 0.311 1062 F C -0.124 175.659 175.800 -0.029 0.000 1.094 1062 F CA -0.732 57.241 58.000 -0.046 0.000 0.923 1062 F CB 1.649 40.603 39.000 -0.077 0.000 1.230 1062 F HN -0.273 nan 8.300 nan 0.000 0.450 1063 I N 3.062 123.688 120.570 0.095 0.000 2.436 1063 I HA 0.358 4.528 4.170 0.000 0.000 0.289 1063 I C -1.273 174.836 176.117 -0.014 0.000 1.010 1063 I CA -0.792 60.564 61.300 0.093 0.000 1.098 1063 I CB 1.739 39.771 38.000 0.053 0.000 1.266 1063 I HN 0.502 nan 8.210 nan 0.000 0.434 1064 Y N 3.672 124.086 120.300 0.191 0.000 2.420 1064 Y HA 0.630 5.180 4.550 -0.000 0.000 0.334 1064 Y C 0.513 176.449 175.900 0.060 0.000 1.094 1064 Y CA -0.398 57.816 58.100 0.189 0.000 1.126 1064 Y CB 2.135 40.741 38.460 0.244 0.000 1.217 1064 Y HN 0.411 nan 8.280 nan 0.000 0.462 1065 T N 0.876 115.558 114.554 0.212 0.000 2.821 1065 T HA 0.717 5.067 4.350 0.000 0.000 0.306 1065 T C -1.259 173.533 174.700 0.154 0.000 1.313 1065 T CA -0.602 61.522 62.100 0.039 0.000 1.012 1065 T CB 0.752 69.623 68.868 0.005 0.000 1.298 1065 T HN 0.823 nan 8.240 nan 0.000 0.502 1066 A N 3.012 125.910 122.820 0.130 0.000 2.407 1066 A HA 0.556 4.876 4.320 0.000 0.000 0.248 1066 A C -1.597 176.037 177.584 0.083 0.000 1.082 1066 A CA -0.975 51.135 52.037 0.122 0.000 0.785 1066 A CB -0.164 18.901 19.000 0.109 0.000 1.020 1066 A HN 0.695 nan 8.150 nan 0.000 0.489 1067 P HA -0.027 nan 4.420 nan 0.000 0.217 1067 P C 0.346 177.670 177.300 0.041 0.000 1.150 1067 P CA 1.767 64.895 63.100 0.047 0.000 0.832 1067 P CB 0.139 31.861 31.700 0.036 0.000 0.787 1068 A N -0.634 122.210 122.820 0.041 0.000 2.260 1068 A HA 0.595 4.915 4.320 0.000 0.000 0.308 1068 A C 1.534 179.136 177.584 0.031 0.000 1.254 1068 A CA 0.048 52.104 52.037 0.032 0.000 0.874 1068 A CB 0.591 19.608 19.000 0.029 0.000 1.153 1068 A HN 0.100 nan 8.150 nan 0.000 0.527 1069 A N 2.741 125.575 122.820 0.023 0.000 1.958 1069 A HA -0.017 4.303 4.320 0.000 0.000 0.221 1069 A C 2.266 179.859 177.584 0.016 0.000 1.178 1069 A CA 2.598 54.644 52.037 0.016 0.000 0.642 1069 A CB -0.734 18.273 19.000 0.012 0.000 0.816 1069 A HN 1.708 nan 8.150 nan 0.000 0.453 1070 A N -0.457 122.373 122.820 0.017 0.000 2.014 1070 A HA 0.126 4.446 4.320 0.000 0.000 0.218 1070 A C 1.672 179.269 177.584 0.021 0.000 1.163 1070 A CA 1.507 53.553 52.037 0.016 0.000 0.652 1070 A CB -0.732 18.276 19.000 0.013 0.000 0.808 1070 A HN 1.126 nan 8.150 nan 0.000 0.449 1071 V N -4.898 115.034 119.914 0.029 0.000 3.110 1071 V HA 0.277 4.397 4.120 0.000 0.000 0.368 1071 V C 0.404 176.524 176.094 0.044 0.000 1.332 1071 V CA -0.473 61.850 62.300 0.038 0.000 1.287 1071 V CB -1.899 29.951 31.823 0.045 0.000 1.277 1071 V HN 0.699 nan 8.190 nan 0.000 0.502 1072 c N -0.205 118.414 118.600 0.031 0.000 4.614 1072 c HA -0.062 4.508 4.570 0.000 0.000 0.300 1072 c C 1.302 175.404 174.090 0.019 0.000 1.301 1072 c CA -0.150 56.194 56.329 0.024 0.000 2.073 1072 c CB -2.582 39.948 42.510 0.032 0.000 1.219 1072 c HN 1.139 nan 8.230 nan 0.000 0.772 1073 G N -0.109 108.704 108.800 0.022 0.000 2.444 1073 G HA2 0.557 4.517 3.960 0.000 0.000 0.268 1073 G HA3 0.557 4.517 3.960 0.000 0.000 0.268 1073 G C -0.352 174.549 174.900 0.002 0.000 1.203 1073 G CA -0.077 45.037 45.100 0.023 0.000 0.835 1073 G HN 0.656 nan 8.290 nan 0.000 0.543 1074 V N 0.519 120.428 119.914 -0.009 0.000 2.581 1074 V HA 0.607 4.727 4.120 0.000 0.000 0.303 1074 V C 0.274 176.362 176.094 -0.011 0.000 1.041 1074 V CA -0.801 61.469 62.300 -0.050 0.000 0.907 1074 V CB 1.840 33.584 31.823 -0.132 0.000 0.994 1074 V HN 0.749 nan 8.190 nan 0.000 0.442 1075 S N 4.389 120.064 115.700 -0.040 0.000 2.437 1075 S HA 0.769 5.239 4.470 0.000 0.000 0.305 1075 S C -0.871 173.641 174.600 -0.147 0.000 1.109 1075 S CA -0.516 57.692 58.200 0.013 0.000 1.099 1075 S CB 0.324 63.549 63.200 0.042 0.000 1.004 1075 S HN 0.539 nan 8.310 nan 0.000 0.475 1076 L N 3.211 124.284 121.223 -0.249 0.000 2.330 1076 L HA 0.525 4.865 4.340 0.000 0.000 0.271 1076 L C 0.131 177.001 176.870 -0.001 0.000 1.013 1076 L CA -1.058 53.532 54.840 -0.416 0.000 0.816 1076 L CB 1.435 42.947 42.059 -0.913 0.000 1.287 1076 L HN 0.618 nan 8.230 nan 0.000 0.435 1077 D N 2.734 123.247 120.400 0.189 0.000 2.371 1077 D HA 0.116 4.756 4.640 0.000 0.000 0.256 1077 D C 0.486 176.918 176.300 0.220 0.000 1.193 1077 D CA -0.191 53.949 54.000 0.233 0.000 0.881 1077 D CB 1.139 42.093 40.800 0.257 0.000 1.143 1077 D HN 0.520 nan 8.370 nan 0.000 0.473 1078 I N 1.332 122.013 120.570 0.186 0.000 3.884 1078 I HA 0.335 4.505 4.170 0.000 0.000 0.330 1078 I C 1.530 177.712 176.117 0.108 0.000 1.451 1078 I CA -0.753 60.649 61.300 0.171 0.000 1.165 1078 I CB 0.408 38.518 38.000 0.183 0.000 1.097 1078 I HN 0.300 nan 8.210 nan 0.000 0.404 1079 G N 1.557 110.412 108.800 0.092 0.000 2.421 1079 G HA2 0.177 4.137 3.960 0.000 0.000 0.217 1079 G HA3 0.177 4.137 3.960 0.000 0.000 0.217 1079 G C 1.364 176.291 174.900 0.045 0.000 1.143 1079 G CA 0.766 45.901 45.100 0.058 0.000 0.784 1079 G HN 0.789 nan 8.290 nan 0.000 0.541 1080 G N -0.086 108.744 108.800 0.049 0.000 2.144 1080 G HA2 -0.207 3.753 3.960 0.000 0.000 0.218 1080 G HA3 -0.207 3.753 3.960 0.000 0.000 0.218 1080 G C 0.849 175.753 174.900 0.008 0.000 0.988 1080 G CA 1.077 46.195 45.100 0.030 0.000 0.659 1080 G HN 0.991 nan 8.290 nan 0.000 0.522 1081 K N -0.622 119.779 120.400 0.000 0.000 2.481 1081 K HA 0.404 4.724 4.320 0.000 0.000 0.210 1081 K C 0.645 177.218 176.600 -0.046 0.000 1.161 1081 K CA 0.081 56.357 56.287 -0.018 0.000 1.023 1081 K CB 0.613 33.107 32.500 -0.010 0.000 0.971 1081 K HN 0.174 nan 8.250 nan 0.000 0.577 1082 K N 2.456 122.816 120.400 -0.066 0.000 2.264 1082 K HA 0.156 4.476 4.320 0.000 0.000 0.277 1082 K C -1.072 175.354 176.600 -0.290 0.000 1.067 1082 K CA -0.315 55.857 56.287 -0.192 0.000 0.900 1082 K CB 0.844 33.214 32.500 -0.216 0.000 1.124 1082 K HN 0.150 nan 8.250 nan 0.000 0.469 1083 E N 2.865 122.908 120.200 -0.262 0.000 2.277 1083 E HA 0.206 4.556 4.350 0.000 0.000 0.274 1083 E C -1.092 175.369 176.600 -0.231 0.000 1.022 1083 E CA -0.582 55.719 56.400 -0.165 0.000 0.853 1083 E CB 1.039 30.685 29.700 -0.091 0.000 1.086 1083 E HN 0.423 nan 8.360 nan 0.000 0.397 1084 Y N 0.619 120.993 120.300 0.123 0.000 2.545 1084 Y HA 0.308 4.858 4.550 0.000 0.000 0.348 1084 Y C -0.602 175.455 175.900 0.262 0.000 1.002 1084 Y CA -1.209 56.992 58.100 0.168 0.000 1.039 1084 Y CB 1.322 39.817 38.460 0.057 0.000 1.271 1084 Y HN 0.349 nan 8.280 nan 0.000 0.467 1085 L N 4.582 126.110 121.223 0.508 0.000 2.288 1085 L HA 0.524 4.864 4.340 0.000 0.000 0.283 1085 L C -1.204 175.882 176.870 0.359 0.000 1.072 1085 L CA -0.118 55.029 54.840 0.511 0.000 0.862 1085 L CB -0.503 41.857 42.059 0.502 0.000 1.245 1085 L HN 0.438 nan 8.230 nan 0.000 0.432 1086 I N 5.242 125.987 120.570 0.291 0.000 2.312 1086 I HA 0.584 4.754 4.170 0.000 0.000 0.290 1086 I C 0.256 176.480 176.117 0.179 0.000 1.008 1086 I CA -0.448 60.961 61.300 0.182 0.000 1.226 1086 I CB 1.333 39.385 38.000 0.087 0.000 1.371 1086 I HN 0.702 nan 8.210 nan 0.000 0.468 1087 A N 4.826 127.750 122.820 0.173 0.000 2.337 1087 A HA 0.989 5.309 4.320 0.000 0.000 0.329 1087 A C 0.082 177.718 177.584 0.086 0.000 1.146 1087 A CA -0.270 51.845 52.037 0.131 0.000 0.800 1087 A CB 1.479 20.569 19.000 0.150 0.000 1.220 1087 A HN 0.889 nan 8.150 nan 0.000 0.472 1088 G N 0.331 109.166 108.800 0.058 0.000 2.341 1088 G HA2 0.455 4.415 3.960 0.000 0.000 0.299 1088 G HA3 0.455 4.415 3.960 0.000 0.000 0.299 1088 G C -1.308 173.627 174.900 0.058 0.000 1.274 1088 G CA -0.559 44.574 45.100 0.056 0.000 0.853 1088 G HN 0.815 nan 8.290 nan 0.000 0.493 1089 K N -0.025 120.429 120.400 0.090 0.000 2.156 1089 K HA 0.719 5.039 4.320 0.000 0.000 0.271 1089 K C 0.047 176.709 176.600 0.102 0.000 0.995 1089 K CA -0.259 56.085 56.287 0.095 0.000 0.890 1089 K CB 1.485 34.064 32.500 0.132 0.000 1.073 1089 K HN 0.821 nan 8.250 nan 0.000 0.454 1090 A N 3.991 126.853 122.820 0.070 0.000 2.301 1090 A HA 0.277 4.598 4.320 0.000 0.000 0.298 1090 A C -0.459 177.163 177.584 0.064 0.000 1.185 1090 A CA -0.440 51.639 52.037 0.068 0.000 0.830 1090 A CB 0.447 19.473 19.000 0.044 0.000 1.112 1090 A HN 0.924 nan 8.150 nan 0.000 0.508 1091 E N 1.404 121.652 120.200 0.079 0.000 2.808 1091 E HA 0.485 4.835 4.350 0.000 0.000 0.213 1091 E C 0.738 177.367 176.600 0.049 0.000 0.784 1091 E CA -0.808 55.624 56.400 0.053 0.000 1.154 1091 E CB 0.445 30.185 29.700 0.067 0.000 1.693 1091 E HN 0.742 nan 8.360 nan 0.000 0.422 1092 G N 1.311 110.134 108.800 0.037 0.000 2.432 1092 G HA2 -0.000 3.960 3.960 0.000 0.000 0.239 1092 G HA3 -0.000 3.960 3.960 0.000 0.000 0.239 1092 G C -0.199 174.742 174.900 0.069 0.000 1.291 1092 G CA -0.345 44.779 45.100 0.039 0.000 0.863 1092 G HN 0.492 nan 8.290 nan 0.000 0.560 1093 N N 0.500 119.233 118.700 0.056 0.000 2.047 1093 N HA 0.190 4.930 4.740 0.000 0.000 0.292 1093 N C 1.237 176.802 175.510 0.091 0.000 1.356 1093 N CA 0.981 54.068 53.050 0.061 0.000 0.836 1093 N CB 0.097 38.611 38.487 0.045 0.000 1.113 1093 N HN 1.425 nan 8.380 nan 0.000 0.495 1094 G N 1.231 110.088 108.800 0.095 0.000 2.176 1094 G HA2 -0.273 3.688 3.960 0.000 0.000 0.232 1094 G HA3 -0.273 3.688 3.960 0.000 0.000 0.232 1094 G C -0.505 174.511 174.900 0.194 0.000 0.986 1094 G CA -0.005 45.166 45.100 0.119 0.000 0.643 1094 G HN 0.790 nan 8.290 nan 0.000 0.522 1095 N N -0.236 118.590 118.700 0.210 0.000 2.370 1095 N HA 0.794 5.534 4.740 0.000 0.000 0.303 1095 N C -0.425 175.228 175.510 0.238 0.000 1.103 1095 N CA -0.540 52.691 53.050 0.302 0.000 0.848 1095 N CB 1.747 40.427 38.487 0.321 0.000 1.235 1095 N HN 0.322 nan 8.380 nan 0.000 0.496 1096 M N 1.454 121.227 119.600 0.290 0.000 2.433 1096 M HA 0.333 4.813 4.480 0.000 0.000 0.290 1096 M C -1.998 174.483 176.300 0.302 0.000 1.173 1096 M CA -0.657 54.779 55.300 0.227 0.000 0.905 1096 M CB 1.843 34.527 32.600 0.141 0.000 1.692 1096 M HN 0.715 nan 8.290 nan 0.000 0.462 1097 H N 4.525 123.685 119.070 0.151 0.000 2.505 1097 H HA 0.728 5.284 4.556 -0.000 0.000 0.338 1097 H C -1.413 173.973 175.328 0.096 0.000 1.057 1097 H CA -0.533 55.604 56.048 0.149 0.000 1.202 1097 H CB 1.145 30.974 29.762 0.112 0.000 1.466 1097 H HN 0.638 nan 8.280 nan 0.000 0.499 1098 I N 1.584 121.903 120.570 -0.419 0.000 2.740 1098 I HA 0.711 4.881 4.170 0.000 0.000 0.303 1098 I C -1.021 174.895 176.117 -0.334 0.000 1.044 1098 I CA -0.709 60.431 61.300 -0.267 0.000 1.064 1098 I CB 2.605 40.511 38.000 -0.156 0.000 1.249 1098 I HN 0.443 nan 8.210 nan 0.000 0.433 1099 T N 3.772 118.244 114.554 -0.137 0.000 2.901 1099 T HA 0.422 4.772 4.350 0.000 0.000 0.293 1099 T C 0.886 175.558 174.700 -0.045 0.000 1.084 1099 T CA -0.681 61.380 62.100 -0.066 0.000 1.008 1099 T CB 2.115 70.993 68.868 0.016 0.000 1.170 1099 T HN 0.607 nan 8.240 nan 0.000 0.509 1100 L N 0.419 121.623 121.223 -0.031 0.000 2.265 1100 L HA -0.085 4.255 4.340 0.000 0.000 0.215 1100 L C 2.047 178.906 176.870 -0.017 0.000 1.117 1100 L CA 0.975 55.795 54.840 -0.034 0.000 0.782 1100 L CB -0.271 41.774 42.059 -0.023 0.000 0.914 1100 L HN 0.782 nan 8.230 nan 0.000 0.441 1101 c N -0.888 117.716 118.600 0.007 0.000 2.481 1101 c HA -0.005 4.565 4.570 0.000 0.000 0.275 1101 c C 1.091 175.212 174.090 0.052 0.000 1.419 1101 c CA -0.739 55.608 56.329 0.029 0.000 1.773 1101 c CB -0.921 41.611 42.510 0.037 0.000 1.862 1101 c HN 0.378 nan 8.230 nan 0.000 0.530 1102 D N -0.031 120.394 120.400 0.041 0.000 2.357 1102 D HA 0.098 4.738 4.640 0.000 0.000 0.242 1102 D C -0.471 175.892 176.300 0.106 0.000 1.153 1102 D CA 0.036 54.082 54.000 0.077 0.000 0.918 1102 D CB 0.420 41.246 40.800 0.044 0.000 1.181 1102 D HN 0.224 nan 8.370 nan 0.000 0.435 1103 F N 1.558 121.514 119.950 0.010 0.000 2.404 1103 F HA 0.312 4.839 4.527 0.000 0.000 0.359 1103 F C -0.141 175.678 175.800 0.031 0.000 1.134 1103 F CA -0.205 57.807 58.000 0.020 0.000 1.160 1103 F CB -0.005 39.008 39.000 0.022 0.000 1.186 1103 F HN 0.088 nan 8.300 nan 0.000 0.526 1104 I N 7.768 128.208 120.570 -0.216 0.000 2.497 1104 I HA 0.370 4.540 4.170 0.000 0.000 0.284 1104 I C -1.252 174.774 176.117 -0.151 0.000 1.060 1104 I CA -0.888 60.350 61.300 -0.102 0.000 1.071 1104 I CB 1.659 39.587 38.000 -0.119 0.000 1.216 1104 I HN 0.327 nan 8.210 nan 0.000 0.442 1105 V N 3.574 123.479 119.914 -0.015 0.000 3.007 1105 V HA 0.718 4.838 4.120 0.000 0.000 0.311 1105 V C -2.914 173.313 176.094 0.221 0.000 1.120 1105 V CA -2.733 59.582 62.300 0.025 0.000 0.980 1105 V CB 1.995 33.746 31.823 -0.119 0.000 1.033 1105 V HN 0.339 nan 8.190 nan 0.000 0.429 1106 P HA 0.000 nan 4.420 nan 0.000 0.264 1106 P C 0.600 177.951 177.300 0.086 0.000 1.193 1106 P CA 0.166 63.281 63.100 0.026 0.000 0.763 1106 P CB 0.318 31.984 31.700 -0.056 0.000 0.810 1107 W N 4.279 125.546 121.300 -0.055 0.000 2.308 1107 W HA -0.234 4.426 4.660 -0.000 0.000 0.301 1107 W C 0.335 176.851 176.519 -0.005 0.000 1.220 1107 W CA 1.713 59.062 57.345 0.006 0.000 1.240 1107 W CB -0.200 29.264 29.460 0.007 0.000 1.142 1107 W HN 0.367 nan 8.180 nan 0.000 0.521 1108 D N -0.419 120.000 120.400 0.032 0.000 2.348 1108 D HA -0.116 4.524 4.640 0.000 0.000 0.216 1108 D C 2.078 178.315 176.300 -0.105 0.000 0.970 1108 D CA 1.865 55.839 54.000 -0.044 0.000 0.889 1108 D CB -0.322 40.493 40.800 0.025 0.000 0.912 1108 D HN 0.263 nan 8.370 nan 0.000 0.524 1109 T N -1.910 112.581 114.554 -0.104 0.000 3.129 1109 T HA 0.050 4.400 4.350 0.000 0.000 0.251 1109 T C 0.926 175.542 174.700 -0.139 0.000 1.117 1109 T CA -0.319 61.724 62.100 -0.094 0.000 1.034 1109 T CB 0.200 69.032 68.868 -0.059 0.000 0.968 1109 T HN -0.146 nan 8.240 nan 0.000 0.526 1110 L N 3.709 124.789 121.223 -0.238 0.000 2.380 1110 L HA 0.391 4.731 4.340 0.000 0.000 0.273 1110 L C 1.113 177.835 176.870 -0.247 0.000 1.138 1110 L CA -0.071 54.605 54.840 -0.274 0.000 0.832 1110 L CB 0.689 42.468 42.059 -0.468 0.000 1.124 1110 L HN 0.484 nan 8.230 nan 0.000 0.454 1111 S N 1.946 117.523 115.700 -0.205 0.000 2.589 1111 S HA 0.253 4.723 4.470 0.000 0.000 0.265 1111 S C 1.272 175.781 174.600 -0.152 0.000 1.342 1111 S CA 0.002 58.109 58.200 -0.155 0.000 1.005 1111 S CB 0.931 64.004 63.200 -0.212 0.000 0.909 1111 S HN 0.692 nan 8.310 nan 0.000 0.555 1112 A N 1.639 124.413 122.820 -0.077 0.000 1.972 1112 A HA 0.008 4.328 4.320 0.000 0.000 0.219 1112 A C 2.257 179.787 177.584 -0.091 0.000 1.169 1112 A CA 1.901 53.891 52.037 -0.078 0.000 0.635 1112 A CB -1.715 17.265 19.000 -0.032 0.000 0.810 1112 A HN 0.889 nan 8.150 nan 0.000 0.446 1113 T N -0.146 114.370 114.554 -0.062 0.000 2.821 1113 T HA -0.146 4.204 4.350 0.000 0.000 0.267 1113 T C 2.074 176.670 174.700 -0.173 0.000 1.046 1113 T CA 1.715 63.761 62.100 -0.091 0.000 1.139 1113 T CB -0.195 68.668 68.868 -0.008 0.000 0.871 1113 T HN 0.633 nan 8.240 nan 0.000 0.454 1114 Q N 0.844 120.548 119.800 -0.160 0.000 2.046 1114 Q HA -0.139 4.201 4.340 0.000 0.000 0.200 1114 Q C 2.393 178.252 176.000 -0.235 0.000 0.975 1114 Q CA 1.449 57.168 55.803 -0.140 0.000 0.836 1114 Q CB -0.171 28.509 28.738 -0.097 0.000 0.896 1114 Q HN 0.626 nan 8.270 nan 0.000 0.428 1115 K N 0.990 121.223 120.400 -0.279 0.000 2.032 1115 K HA -0.211 4.109 4.320 0.000 0.000 0.209 1115 K C 1.972 178.462 176.600 -0.183 0.000 1.048 1115 K CA 1.725 57.834 56.287 -0.296 0.000 0.927 1115 K CB -0.231 32.087 32.500 -0.303 0.000 0.712 1115 K HN -0.056 nan 8.250 nan 0.000 0.441 1116 K N 0.771 121.072 120.400 -0.164 0.000 2.148 1116 K HA -0.004 4.316 4.320 0.000 0.000 0.204 1116 K C 1.874 178.321 176.600 -0.256 0.000 1.050 1116 K CA 1.283 57.491 56.287 -0.131 0.000 0.942 1116 K CB 0.007 32.445 32.500 -0.104 0.000 0.724 1116 K HN 0.158 nan 8.250 nan 0.000 0.446 1117 S N 1.076 116.496 115.700 -0.466 0.000 2.447 1117 S HA -0.021 4.449 4.470 0.000 0.000 0.233 1117 S C 1.588 175.668 174.600 -0.866 0.000 1.006 1117 S CA 0.715 58.403 58.200 -0.852 0.000 0.957 1117 S CB -0.135 62.112 63.200 -1.588 0.000 0.773 1117 S HN 0.271 nan 8.310 nan 0.000 0.507 1118 L N 1.277 122.150 121.223 -0.584 0.000 2.191 1118 L HA -0.121 4.219 4.340 0.000 0.000 0.212 1118 L C 1.839 178.596 176.870 -0.187 0.000 1.103 1118 L CA 1.020 55.568 54.840 -0.487 0.000 0.769 1118 L CB -0.689 40.874 42.059 -0.825 0.000 0.908 1118 L HN 0.328 nan 8.230 nan 0.000 0.438 1119 N N -1.848 116.827 118.700 -0.041 0.000 2.216 1119 N HA -0.171 4.569 4.740 0.000 0.000 0.183 1119 N C 1.677 177.292 175.510 0.175 0.000 1.017 1119 N CA 1.219 54.383 53.050 0.191 0.000 0.861 1119 N CB 0.109 38.704 38.487 0.180 0.000 0.986 1119 N HN 0.386 nan 8.380 nan 0.000 0.428 1120 H N -1.601 117.404 119.070 -0.108 0.000 3.420 1120 H HA 0.188 4.744 4.556 0.000 0.000 0.226 1120 H C 1.523 176.761 175.328 -0.150 0.000 0.994 1120 H CA -0.167 55.830 56.048 -0.085 0.000 1.031 1120 H CB 0.357 30.105 29.762 -0.024 0.000 1.190 1120 H HN -0.096 nan 8.280 nan 0.000 0.686 1121 R N 0.184 120.473 120.500 -0.351 0.000 2.081 1121 R HA -0.119 4.221 4.340 0.000 0.000 0.235 1121 R C 1.516 177.623 176.300 -0.321 0.000 1.131 1121 R CA 1.930 57.808 56.100 -0.371 0.000 0.960 1121 R CB -0.117 29.997 30.300 -0.310 0.000 0.856 1121 R HN 0.182 nan 8.270 nan 0.000 0.436 1122 Y N 0.462 120.511 120.300 -0.418 0.000 2.224 1122 Y HA -0.202 4.348 4.550 0.000 0.000 0.289 1122 Y C 2.409 178.111 175.900 -0.330 0.000 1.146 1122 Y CA 1.290 59.126 58.100 -0.440 0.000 1.182 1122 Y CB -0.837 37.201 38.460 -0.704 0.000 0.983 1122 Y HN 0.180 nan 8.280 nan 0.000 0.524 1123 Q N 0.188 119.867 119.800 -0.201 0.000 2.124 1123 Q HA -0.184 4.156 4.340 0.000 0.000 0.202 1123 Q C 2.126 178.089 176.000 -0.061 0.000 0.977 1123 Q CA 1.712 57.535 55.803 0.033 0.000 0.850 1123 Q CB -0.475 28.357 28.738 0.155 0.000 0.901 1123 Q HN 0.508 nan 8.270 nan 0.000 0.429 1124 M N -1.306 118.151 119.600 -0.238 0.000 2.202 1124 M HA -0.116 4.364 4.480 0.000 0.000 0.262 1124 M C 1.667 177.904 176.300 -0.105 0.000 1.063 1124 M CA 1.606 56.777 55.300 -0.214 0.000 1.097 1124 M CB -0.291 32.121 32.600 -0.313 0.000 1.382 1124 M HN 0.410 nan 8.290 nan 0.000 0.413 1125 G N -1.896 106.858 108.800 -0.077 0.000 2.939 1125 G HA2 -0.060 3.900 3.960 0.000 0.000 0.210 1125 G HA3 -0.060 3.900 3.960 0.000 0.000 0.210 1125 G C 1.310 176.173 174.900 -0.062 0.000 1.160 1125 G CA -0.091 44.970 45.100 -0.065 0.000 0.770 1125 G HN 0.434 nan 8.290 nan 0.000 0.543 1126 c N 1.632 120.220 118.600 -0.020 0.000 2.403 1126 c HA -0.105 4.465 4.570 0.000 0.000 0.279 1126 c C 2.754 176.827 174.090 -0.029 0.000 1.269 1126 c CA 1.377 57.703 56.329 -0.004 0.000 1.774 1126 c CB -0.647 41.896 42.510 0.054 0.000 1.993 1126 c HN 0.820 nan 8.230 nan 0.000 0.496 1127 E N -0.699 119.481 120.200 -0.033 0.000 2.418 1127 E HA -0.063 4.287 4.350 0.000 0.000 0.197 1127 E C 0.454 177.018 176.600 -0.061 0.000 1.026 1127 E CA 0.447 56.824 56.400 -0.038 0.000 0.862 1127 E CB -0.200 29.481 29.700 -0.031 0.000 0.799 1127 E HN 0.574 nan 8.360 nan 0.000 0.518 1128 c N 1.577 120.123 118.600 -0.089 0.000 2.405 1128 c HA 0.376 4.946 4.570 0.000 0.000 0.365 1128 c C 0.234 174.243 174.090 -0.135 0.000 1.233 1128 c CA -0.788 55.466 56.329 -0.125 0.000 2.230 1128 c CB 0.656 43.060 42.510 -0.177 0.000 2.443 1128 c HN 0.279 nan 8.230 nan 0.000 0.556 1129 K N 1.755 122.076 120.400 -0.132 0.000 2.130 1129 K HA 0.608 4.928 4.320 0.000 0.000 0.268 1129 K C -0.886 175.613 176.600 -0.168 0.000 0.983 1129 K CA -0.036 56.181 56.287 -0.116 0.000 0.893 1129 K CB 0.969 33.428 32.500 -0.068 0.000 1.066 1129 K HN 0.542 nan 8.250 nan 0.000 0.450 1130 I N 2.482 122.962 120.570 -0.149 0.000 2.355 1130 I HA 0.155 4.325 4.170 0.000 0.000 0.288 1130 I C -0.295 175.842 176.117 0.033 0.000 0.999 1130 I CA -0.421 60.798 61.300 -0.136 0.000 1.163 1130 I CB 1.840 39.707 38.000 -0.222 0.000 1.316 1130 I HN 0.519 nan 8.210 nan 0.000 0.454 1131 T N 6.073 120.692 114.554 0.109 0.000 2.867 1131 T HA 0.444 4.794 4.350 0.000 0.000 0.282 1131 T C 0.203 175.073 174.700 0.283 0.000 1.000 1131 T CA -0.696 61.500 62.100 0.159 0.000 1.042 1131 T CB 1.139 70.069 68.868 0.104 0.000 0.973 1131 T HN 0.448 nan 8.240 nan 0.000 0.465 1132 R N 0.633 121.280 120.500 0.246 0.000 2.641 1132 R HA 0.406 4.746 4.340 0.000 0.000 0.269 1132 R C -0.131 176.264 176.300 0.159 0.000 1.074 1132 R CA -0.407 55.837 56.100 0.240 0.000 1.133 1132 R CB 0.443 30.839 30.300 0.159 0.000 1.029 1132 R HN 0.591 nan 8.270 nan 0.000 0.488 1133 c N 5.286 123.957 118.600 0.120 0.000 3.335 1133 c HA 0.333 4.903 4.570 0.000 0.000 0.217 1133 c C -1.103 173.048 174.090 0.102 0.000 1.330 1133 c CA -1.916 54.465 56.329 0.088 0.000 1.470 1133 c CB 0.086 42.642 42.510 0.077 0.000 1.806 1133 c HN 0.734 nan 8.230 nan 0.000 0.468 1134 P HA -0.109 nan 4.420 nan 0.000 0.216 1134 P C 0.295 177.701 177.300 0.178 0.000 1.150 1134 P CA 1.374 64.544 63.100 0.117 0.000 0.837 1134 P CB 0.285 32.013 31.700 0.047 0.000 0.786 1135 M N -0.180 119.474 119.600 0.091 0.000 2.325 1135 M HA 0.288 4.768 4.480 0.000 0.000 0.285 1135 M C -0.955 175.341 176.300 -0.007 0.000 1.119 1135 M CA -1.229 54.101 55.300 0.050 0.000 0.959 1135 M CB 2.464 35.094 32.600 0.050 0.000 1.737 1135 M HN -0.246 nan 8.290 nan 0.000 0.486 1136 I N 2.990 123.535 120.570 -0.042 0.000 2.754 1136 I HA 0.465 4.635 4.170 0.000 0.000 0.285 1136 I C -2.095 173.976 176.117 -0.076 0.000 1.166 1136 I CA -1.239 60.008 61.300 -0.088 0.000 1.417 1136 I CB 0.058 38.001 38.000 -0.096 0.000 1.382 1136 I HN 0.485 nan 8.210 nan 0.000 0.588 1137 P HA 0.286 nan 4.420 nan 0.000 0.296 1137 P C -0.979 176.076 177.300 -0.408 0.000 1.306 1137 P CA -0.475 62.446 63.100 -0.299 0.000 0.818 1137 P CB 1.250 32.735 31.700 -0.358 0.000 0.969 1138 c N 2.687 121.050 118.600 -0.396 0.000 2.329 1138 c HA 0.703 5.274 4.570 0.000 0.000 0.329 1138 c C -0.338 173.532 174.090 -0.366 0.000 1.275 1138 c CA -0.985 55.193 56.329 -0.253 0.000 1.726 1138 c CB -0.676 41.793 42.510 -0.068 0.000 2.291 1138 c HN 0.482 nan 8.230 nan 0.000 0.514 1139 Y N 1.876 122.204 120.300 0.047 0.000 2.534 1139 Y HA 0.586 5.136 4.550 0.000 0.000 0.329 1139 Y C 0.983 176.909 175.900 0.044 0.000 1.154 1139 Y CA -1.511 56.615 58.100 0.042 0.000 1.192 1139 Y CB 1.008 39.487 38.460 0.031 0.000 1.275 1139 Y HN 0.715 nan 8.280 nan 0.000 0.491 1140 I N -0.524 120.183 120.570 0.228 0.000 2.213 1140 I HA 0.253 4.423 4.170 0.000 0.000 0.295 1140 I C 0.558 176.735 176.117 0.101 0.000 1.172 1140 I CA 0.044 61.421 61.300 0.128 0.000 1.443 1140 I CB 0.052 38.111 38.000 0.099 0.000 1.491 1140 I HN 0.485 nan 8.210 nan 0.000 0.652 1141 S N 2.690 118.447 115.700 0.096 0.000 2.383 1141 S HA -0.089 4.381 4.470 0.000 0.000 0.229 1141 S C 0.847 175.466 174.600 0.031 0.000 1.030 1141 S CA 1.126 59.363 58.200 0.061 0.000 1.002 1141 S CB -0.109 63.127 63.200 0.059 0.000 0.829 1141 S HN 0.788 nan 8.310 nan 0.000 0.467 1142 S N -0.180 115.533 115.700 0.022 0.000 2.564 1142 S HA 0.409 4.879 4.470 0.000 0.000 0.274 1142 S C -2.522 172.073 174.600 -0.010 0.000 1.124 1142 S CA -1.104 57.099 58.200 0.004 0.000 0.869 1142 S CB 1.936 65.135 63.200 -0.001 0.000 1.105 1142 S HN -0.080 nan 8.310 nan 0.000 0.472 1143 P HA -0.039 nan 4.420 nan 0.000 0.226 1143 P C 0.534 177.808 177.300 -0.044 0.000 1.153 1143 P CA 0.794 63.879 63.100 -0.024 0.000 0.777 1143 P CB -0.088 31.601 31.700 -0.018 0.000 0.794 1144 D N -1.080 119.292 120.400 -0.046 0.000 2.325 1144 D HA 0.025 4.665 4.640 0.000 0.000 0.234 1144 D C 0.131 176.378 176.300 -0.089 0.000 1.122 1144 D CA 0.190 54.153 54.000 -0.063 0.000 0.850 1144 D CB 0.175 40.947 40.800 -0.046 0.000 0.921 1144 D HN 0.208 nan 8.370 nan 0.000 0.513 1145 E N -0.417 119.726 120.200 -0.095 0.000 2.288 1145 E HA 0.452 4.802 4.350 0.000 0.000 0.268 1145 E C -1.108 175.373 176.600 -0.198 0.000 0.885 1145 E CA -0.788 55.538 56.400 -0.123 0.000 0.767 1145 E CB 2.339 32.006 29.700 -0.056 0.000 1.220 1145 E HN 0.086 nan 8.360 nan 0.000 0.427 1146 c N 2.083 120.490 118.600 -0.322 0.000 2.493 1146 c HA 0.500 5.070 4.570 0.000 0.000 0.326 1146 c C -0.259 173.750 174.090 -0.134 0.000 1.200 1146 c CA -0.724 55.300 56.329 -0.508 0.000 1.739 1146 c CB 0.389 42.018 42.510 -1.468 0.000 2.300 1146 c HN 0.590 nan 8.230 nan 0.000 0.500 1147 L N 2.224 123.546 121.223 0.165 0.000 2.264 1147 L HA 0.271 4.611 4.340 0.000 0.000 0.289 1147 L C -0.736 176.561 176.870 0.712 0.000 1.044 1147 L CA -0.120 54.938 54.840 0.363 0.000 0.807 1147 L CB 0.573 42.783 42.059 0.253 0.000 1.192 1147 L HN 0.715 nan 8.230 nan 0.000 0.425 1148 W N 6.378 127.927 121.300 0.416 0.000 2.433 1148 W HA 0.215 4.875 4.660 0.000 0.000 0.331 1148 W C 0.208 176.850 176.519 0.204 0.000 1.110 1148 W CA -0.963 56.630 57.345 0.414 0.000 1.450 1148 W CB 0.737 30.433 29.460 0.392 0.000 1.348 1148 W HN 0.483 nan 8.180 nan 0.000 0.415 1149 M N 3.553 123.269 119.600 0.193 0.000 2.428 1149 M HA -0.029 4.451 4.480 0.000 0.000 0.239 1149 M C 1.078 177.301 176.300 -0.129 0.000 1.121 1149 M CA 0.290 55.588 55.300 -0.002 0.000 1.019 1149 M CB -0.625 31.975 32.600 -0.001 0.000 1.485 1149 M HN 0.231 nan 8.290 nan 0.000 0.484 1150 D N 0.658 120.922 120.400 -0.228 0.000 2.106 1150 D HA -0.252 4.388 4.640 0.000 0.000 0.191 1150 D C 1.737 177.937 176.300 -0.168 0.000 0.997 1150 D CA 1.183 55.071 54.000 -0.188 0.000 0.834 1150 D CB -0.336 40.374 40.800 -0.149 0.000 0.956 1150 D HN 0.548 nan 8.370 nan 0.000 0.448 1151 W N 1.733 122.765 121.300 -0.447 0.000 2.318 1151 W HA -0.240 4.420 4.660 0.000 0.000 0.313 1151 W C 1.846 178.246 176.519 -0.198 0.000 1.221 1151 W CA 2.174 59.329 57.345 -0.317 0.000 1.266 1151 W CB 0.060 29.304 29.460 -0.361 0.000 1.150 1151 W HN -0.018 nan 8.180 nan 0.000 0.496 1152 V N -1.788 117.930 119.914 -0.327 0.000 3.129 1152 V HA -0.066 4.054 4.120 0.000 0.000 0.259 1152 V C 1.702 177.615 176.094 -0.300 0.000 1.116 1152 V CA 1.889 63.956 62.300 -0.388 0.000 1.127 1152 V CB -0.555 31.159 31.823 -0.183 0.000 0.742 1152 V HN 0.031 nan 8.190 nan 0.000 0.474 1153 T N 1.536 115.950 114.554 -0.234 0.000 2.866 1153 T HA 0.113 4.463 4.350 0.000 0.000 0.250 1153 T C 0.730 175.316 174.700 -0.190 0.000 1.033 1153 T CA 1.234 63.225 62.100 -0.182 0.000 1.145 1153 T CB -0.075 68.707 68.868 -0.143 0.000 0.866 1153 T HN 0.913 nan 8.240 nan 0.000 0.434 1154 E N 0.055 120.141 120.200 -0.191 0.000 2.355 1154 E HA 0.507 4.857 4.350 0.000 0.000 0.261 1154 E C -1.163 175.291 176.600 -0.243 0.000 0.943 1154 E CA -1.092 55.208 56.400 -0.166 0.000 0.806 1154 E CB 1.215 30.867 29.700 -0.080 0.000 1.286 1154 E HN -0.275 nan 8.360 nan 0.000 0.424 1155 K N 1.497 121.776 120.400 -0.201 0.000 2.457 1155 K HA 0.402 4.722 4.320 0.000 0.000 0.226 1155 K C -1.135 175.485 176.600 0.035 0.000 1.114 1155 K CA -0.480 55.667 56.287 -0.233 0.000 1.089 1155 K CB -0.578 31.764 32.500 -0.262 0.000 1.739 1155 K HN 0.501 nan 8.250 nan 0.000 0.473 1156 N N 1.595 120.366 118.700 0.119 0.000 2.635 1156 N HA 0.142 4.882 4.740 0.000 0.000 0.260 1156 N C 0.549 176.130 175.510 0.119 0.000 1.078 1156 N CA -0.440 52.692 53.050 0.137 0.000 1.012 1156 N CB 0.911 39.439 38.487 0.067 0.000 1.677 1156 N HN -0.068 nan 8.380 nan 0.000 0.514 1157 I N 1.139 121.776 120.570 0.111 0.000 2.493 1157 I HA -0.076 4.094 4.170 0.000 0.000 0.254 1157 I C 1.177 177.461 176.117 0.279 0.000 1.160 1157 I CA 1.010 62.378 61.300 0.113 0.000 1.445 1157 I CB -0.896 37.187 38.000 0.138 0.000 1.086 1157 I HN 0.655 nan 8.210 nan 0.000 0.433 1158 N N 1.371 120.165 118.700 0.156 0.000 2.758 1158 N HA 0.133 4.873 4.740 0.000 0.000 0.293 1158 N C 0.872 176.404 175.510 0.037 0.000 1.273 1158 N CA -0.116 52.991 53.050 0.095 0.000 1.022 1158 N CB 0.301 38.813 38.487 0.041 0.000 1.334 1158 N HN 0.227 nan 8.380 nan 0.000 0.519 1159 G N -0.546 108.306 108.800 0.086 0.000 2.468 1159 G HA2 -0.123 3.837 3.960 0.000 0.000 0.264 1159 G HA3 -0.123 3.837 3.960 0.000 0.000 0.264 1159 G C 0.813 175.747 174.900 0.056 0.000 1.460 1159 G CA -0.151 44.991 45.100 0.070 0.000 1.060 1159 G HN 0.445 nan 8.290 nan 0.000 0.543 1160 H N -0.359 118.736 119.070 0.041 0.000 2.319 1160 H HA -0.110 4.446 4.556 0.000 0.000 0.299 1160 H C 2.627 178.050 175.328 0.158 0.000 1.092 1160 H CA 2.399 58.546 56.048 0.164 0.000 1.302 1160 H CB 0.101 29.951 29.762 0.147 0.000 1.373 1160 H HN 0.576 nan 8.280 nan 0.000 0.497 1161 Q N -0.175 119.674 119.800 0.081 0.000 2.079 1161 Q HA -0.064 4.276 4.340 0.000 0.000 0.200 1161 Q C 2.585 178.529 176.000 -0.093 0.000 0.974 1161 Q CA 1.021 56.754 55.803 -0.116 0.000 0.840 1161 Q CB -0.073 28.333 28.738 -0.553 0.000 0.898 1161 Q HN 0.464 nan 8.270 nan 0.000 0.430 1162 A N 1.559 124.244 122.820 -0.225 0.000 1.917 1162 A HA -0.249 4.071 4.320 0.000 0.000 0.219 1162 A C 1.894 179.240 177.584 -0.396 0.000 1.182 1162 A CA 1.734 53.395 52.037 -0.627 0.000 0.633 1162 A CB -0.290 18.554 19.000 -0.261 0.000 0.819 1162 A HN 0.188 nan 8.150 nan 0.000 0.448 1163 K N -2.282 117.849 120.400 -0.448 0.000 2.186 1163 K HA 0.083 4.403 4.320 0.000 0.000 0.202 1163 K C 0.643 176.732 176.600 -0.851 0.000 1.052 1163 K CA 1.170 56.978 56.287 -0.800 0.000 0.965 1163 K CB 0.010 31.645 32.500 -1.440 0.000 0.746 1163 K HN 0.553 nan 8.250 nan 0.000 0.457 1164 F N -1.572 118.339 119.950 -0.065 0.000 2.831 1164 F HA 0.313 4.840 4.527 0.000 0.000 0.334 1164 F C 0.241 175.884 175.800 -0.262 0.000 1.071 1164 F CA -0.656 57.217 58.000 -0.211 0.000 1.172 1164 F CB 0.441 39.196 39.000 -0.409 0.000 1.054 1164 F HN -0.232 nan 8.300 nan 0.000 0.572 1165 F N 0.182 120.200 119.950 0.114 0.000 2.556 1165 F HA 0.768 5.295 4.527 0.000 0.000 0.327 1165 F C 0.154 176.211 175.800 0.429 0.000 1.059 1165 F CA -1.349 56.784 58.000 0.222 0.000 0.953 1165 F CB 1.461 40.539 39.000 0.130 0.000 1.227 1165 F HN -0.215 nan 8.300 nan 0.000 0.478 1166 A N 0.443 123.660 122.820 0.662 0.000 2.454 1166 A HA 0.600 4.920 4.320 0.000 0.000 0.302 1166 A C -1.638 176.221 177.584 0.460 0.000 1.079 1166 A CA -0.667 51.682 52.037 0.521 0.000 0.731 1166 A CB 1.311 20.515 19.000 0.340 0.000 1.299 1166 A HN 0.893 nan 8.150 nan 0.000 0.413 1167 c N 3.297 121.931 118.600 0.056 0.000 2.223 1167 c HA 0.753 5.323 4.570 0.000 0.000 0.324 1167 c C -0.341 173.664 174.090 -0.143 0.000 1.196 1167 c CA -0.420 55.736 56.329 -0.288 0.000 1.628 1167 c CB -2.277 39.778 42.510 -0.758 0.000 2.229 1167 c HN 0.772 nan 8.230 nan 0.000 0.486 1168 I N 2.556 123.083 120.570 -0.072 0.000 2.730 1168 I HA 0.574 4.744 4.170 0.000 0.000 0.298 1168 I C -0.578 175.483 176.117 -0.094 0.000 1.089 1168 I CA -0.812 60.443 61.300 -0.076 0.000 1.041 1168 I CB 1.294 39.260 38.000 -0.056 0.000 1.235 1168 I HN 0.392 nan 8.210 nan 0.000 0.423 1169 K N 3.758 124.103 120.400 -0.092 0.000 2.412 1169 K HA 0.286 4.606 4.320 0.000 0.000 0.281 1169 K C -0.150 176.400 176.600 -0.083 0.000 1.027 1169 K CA -0.165 56.074 56.287 -0.081 0.000 0.989 1169 K CB 0.693 33.153 32.500 -0.066 0.000 0.935 1169 K HN 0.613 nan 8.250 nan 0.000 0.475 1170 R N 0.576 121.035 120.500 -0.068 0.000 2.700 1170 R HA 0.120 4.460 4.340 0.000 0.000 0.253 1170 R C 1.419 177.690 176.300 -0.048 0.000 1.091 1170 R CA -0.060 56.001 56.100 -0.065 0.000 1.104 1170 R CB 0.979 31.253 30.300 -0.045 0.000 1.202 1170 R HN 0.847 nan 8.270 nan 0.000 0.532 1171 S N 0.302 115.978 115.700 -0.041 0.000 2.343 1171 S HA -0.131 4.340 4.470 0.000 0.000 0.212 1171 S C 1.117 175.705 174.600 -0.020 0.000 1.033 1171 S CA 1.329 59.512 58.200 -0.029 0.000 1.004 1171 S CB -0.417 62.768 63.200 -0.024 0.000 0.977 1171 S HN 0.654 nan 8.310 nan 0.000 0.427 1172 D N 2.456 122.847 120.400 -0.014 0.000 2.097 1172 D HA 0.167 4.807 4.640 0.000 0.000 0.197 1172 D C 1.347 177.642 176.300 -0.009 0.000 0.984 1172 D CA 1.367 55.362 54.000 -0.008 0.000 0.826 1172 D CB -1.200 39.599 40.800 -0.002 0.000 0.973 1172 D HN 0.564 nan 8.370 nan 0.000 0.460 1173 G N -0.618 108.176 108.800 -0.009 0.000 2.557 1173 G HA2 0.362 4.322 3.960 0.000 0.000 0.292 1173 G HA3 0.362 4.322 3.960 0.000 0.000 0.292 1173 G C 0.620 175.507 174.900 -0.022 0.000 1.237 1173 G CA -0.273 44.820 45.100 -0.011 0.000 0.978 1173 G HN 0.067 nan 8.290 nan 0.000 0.498 1174 S N -1.809 113.875 115.700 -0.028 0.000 2.661 1174 S HA 0.161 4.631 4.470 0.000 0.000 0.162 1174 S C 0.547 175.113 174.600 -0.057 0.000 0.788 1174 S CA 0.145 58.321 58.200 -0.040 0.000 1.003 1174 S CB -0.096 63.081 63.200 -0.039 0.000 0.713 1174 S HN 0.652 nan 8.310 nan 0.000 0.519 1175 c N 1.947 120.502 118.600 -0.076 0.000 2.370 1175 c HA 0.943 5.513 4.570 0.000 0.000 0.354 1175 c C 0.319 174.336 174.090 -0.121 0.000 1.218 1175 c CA -0.680 55.581 56.329 -0.115 0.000 2.154 1175 c CB 0.392 42.803 42.510 -0.164 0.000 2.391 1175 c HN 0.714 nan 8.230 nan 0.000 0.540 1176 A N 1.279 124.025 122.820 -0.123 0.000 2.605 1176 A HA 0.664 4.984 4.320 0.000 0.000 0.294 1176 A C -1.677 175.919 177.584 0.021 0.000 1.062 1176 A CA -0.599 51.399 52.037 -0.064 0.000 0.682 1176 A CB 0.319 19.351 19.000 0.054 0.000 1.278 1176 A HN 0.891 nan 8.150 nan 0.000 0.410 1177 W N 0.410 121.808 121.300 0.164 0.000 2.210 1177 W HA 0.443 5.103 4.660 -0.000 0.000 0.330 1177 W C -0.268 176.539 176.519 0.480 0.000 1.334 1177 W CA 0.862 58.372 57.345 0.276 0.000 1.227 1177 W CB 0.530 30.071 29.460 0.136 0.000 1.178 1177 W HN 0.661 nan 8.180 nan 0.000 0.560 1178 Y N 3.046 123.757 120.300 0.686 0.000 2.421 1178 Y HA 0.289 4.839 4.550 0.000 0.000 0.339 1178 Y C 0.595 176.589 175.900 0.157 0.000 0.996 1178 Y CA -1.789 56.538 58.100 0.380 0.000 1.046 1178 Y CB 1.309 39.880 38.460 0.185 0.000 1.226 1178 Y HN 0.538 nan 8.280 nan 0.000 0.445 1179 R N 3.200 123.239 120.500 -0.768 0.000 2.254 1179 R HA 0.367 4.707 4.340 0.000 0.000 0.193 1179 R C 0.791 176.553 176.300 -0.896 0.000 0.929 1179 R CA 0.802 56.302 56.100 -1.000 0.000 1.038 1179 R CB -0.021 29.622 30.300 -1.095 0.000 1.009 1179 R HN 1.055 nan 8.270 nan 0.000 0.512 1180 G N 0.000 107.873 108.800 -1.544 0.000 5.446 1180 G HA2 0.000 3.960 3.960 0.000 0.000 0.244 1180 G HA3 0.000 3.960 3.960 0.000 0.000 0.244 1180 G CA 0.000 44.550 45.100 -0.917 0.000 0.502 1180 G HN 0.000 nan 8.290 nan 0.000 0.925