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 1jqh_1_C DATA FIRST_RESID 984 DATA SEQUENCE ADVYVPDEWE VAREKITMSR ELGQGSFGMV YEGVAKGVVK DEPETRVAIK DATA SEQUENCE TVNEAASMRE RIEFLNEASV MKEFNCHHVV RLLGVVSQGQ PTLVIMELMT DATA SEQUENCE RGDLKSYLRS LRPEXXXXXV LAPPSLSKMI QMAGEIADGM AYLNANKFVH DATA SEQUENCE RDLAARNCMV AEDFTVKIGD FGMTXXXXXX XYYRKGGKGL LPVRWMSPES DATA SEQUENCE LKDGVFTTYS DVWSFGVVLW EIATLAEQPY QGLSNEQVLR FVMEGGLLDK DATA SEQUENCE PDNCPDMLFE LMRMCWQYNP KMRPSFLEII SSIKEEMEPG FREVSFYYSE DATA SEQUENCE ENK 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 984 A HA 0.000 nan 4.320 nan 0.000 0.244 984 A C 0.000 177.604 177.584 0.034 0.000 1.274 984 A CA 0.000 52.052 52.037 0.025 0.000 0.836 984 A CB 0.000 19.015 19.000 0.024 0.000 0.831 985 D N -0.842 119.580 120.400 0.036 0.000 2.926 985 D HA 0.249 4.886 4.640 -0.006 0.000 0.234 985 D C -1.384 174.949 176.300 0.055 0.000 1.434 985 D CA -0.004 54.026 54.000 0.049 0.000 0.951 985 D CB -0.297 40.533 40.800 0.050 0.000 1.500 985 D HN 0.634 nan 8.370 nan 0.000 0.558 986 V N 1.679 121.627 119.914 0.058 0.000 2.709 986 V HA 0.688 4.804 4.120 -0.006 0.000 0.308 986 V C -1.942 174.211 176.094 0.098 0.000 1.062 986 V CA -0.702 61.636 62.300 0.064 0.000 0.901 986 V CB 2.197 34.035 31.823 0.025 0.000 1.003 986 V HN 0.406 nan 8.190 nan 0.000 0.425 987 Y N 5.332 125.627 120.300 -0.009 0.000 2.328 987 Y HA 0.693 5.239 4.550 -0.006 0.000 0.336 987 Y C -0.554 175.338 175.900 -0.013 0.000 0.960 987 Y CA -0.698 57.391 58.100 -0.018 0.000 1.134 987 Y CB 1.934 40.381 38.460 -0.021 0.000 1.166 987 Y HN 0.461 nan 8.280 nan 0.000 0.464 988 V N 9.257 128.736 119.914 -0.725 0.000 2.364 988 V HA 0.332 4.449 4.120 -0.006 0.000 0.272 988 V C -2.071 173.547 176.094 -0.794 0.000 1.036 988 V CA -1.868 60.111 62.300 -0.535 0.000 0.880 988 V CB 0.745 32.373 31.823 -0.325 0.000 0.991 988 V HN 0.737 nan 8.190 nan 0.000 0.460 989 P HA 0.255 nan 4.420 nan 0.000 0.269 989 P C -0.948 176.304 177.300 -0.079 0.000 1.215 989 P CA 0.029 63.074 63.100 -0.092 0.000 0.780 989 P CB 0.583 32.317 31.700 0.056 0.000 0.898 990 D N -1.198 119.229 120.400 0.046 0.000 2.825 990 D HA 0.088 4.724 4.640 -0.006 0.000 0.327 990 D C 0.249 176.609 176.300 0.100 0.000 1.277 990 D CA -0.611 53.428 54.000 0.065 0.000 0.950 990 D CB 0.065 40.926 40.800 0.103 0.000 1.438 990 D HN 0.232 nan 8.370 nan 0.000 0.526 991 E N -1.020 119.208 120.200 0.046 0.000 2.463 991 E HA -0.084 4.263 4.350 -0.006 0.000 0.201 991 E C 0.522 177.057 176.600 -0.108 0.000 1.045 991 E CA 0.717 57.081 56.400 -0.060 0.000 0.872 991 E CB -0.213 29.396 29.700 -0.152 0.000 0.797 991 E HN 0.417 nan 8.360 nan 0.000 0.538 992 W N 1.514 122.812 121.300 -0.003 0.000 2.905 992 W HA 0.048 4.705 4.660 -0.005 0.000 0.251 992 W C 0.975 177.498 176.519 0.006 0.000 1.305 992 W CA -0.291 57.052 57.345 -0.003 0.000 1.465 992 W CB 0.200 29.658 29.460 -0.003 0.000 1.122 992 W HN -0.067 nan 8.180 nan 0.000 0.659 993 E N 0.865 121.187 120.200 0.202 0.000 2.415 993 E HA 0.197 4.543 4.350 -0.006 0.000 0.262 993 E C -0.380 176.267 176.600 0.077 0.000 1.038 993 E CA 0.223 56.705 56.400 0.136 0.000 0.921 993 E CB 0.583 30.350 29.700 0.113 0.000 0.950 993 E HN -0.085 nan 8.360 nan 0.000 0.438 994 V N 1.020 120.972 119.914 0.065 0.000 2.841 994 V HA 0.765 4.882 4.120 -0.006 0.000 0.310 994 V C -0.248 175.863 176.094 0.028 0.000 1.090 994 V CA -0.998 61.324 62.300 0.037 0.000 0.930 994 V CB 1.552 33.398 31.823 0.039 0.000 1.014 994 V HN 0.822 nan 8.190 nan 0.000 0.425 995 A N 3.511 126.340 122.820 0.015 0.000 2.492 995 A HA 0.369 4.686 4.320 -0.006 0.000 0.254 995 A C 1.331 178.919 177.584 0.007 0.000 1.091 995 A CA 0.093 52.136 52.037 0.010 0.000 0.768 995 A CB -0.061 18.941 19.000 0.003 0.000 1.028 995 A HN 1.125 nan 8.150 nan 0.000 0.498 996 R N 2.252 122.755 120.500 0.005 0.000 2.377 996 R HA -0.111 4.225 4.340 -0.006 0.000 0.207 996 R C 0.616 176.911 176.300 -0.009 0.000 1.075 996 R CA 1.372 57.471 56.100 -0.002 0.000 1.035 996 R CB -0.059 30.238 30.300 -0.005 0.000 0.857 996 R HN 0.804 nan 8.270 nan 0.000 0.475 997 E N 1.699 121.895 120.200 -0.007 0.000 2.435 997 E HA -0.067 4.280 4.350 -0.006 0.000 0.195 997 E C 0.899 177.493 176.600 -0.009 0.000 1.029 997 E CA 0.492 56.886 56.400 -0.010 0.000 0.865 997 E CB 0.051 29.746 29.700 -0.008 0.000 0.833 997 E HN 0.420 nan 8.360 nan 0.000 0.510 998 K N 0.579 120.976 120.400 -0.006 0.000 2.393 998 K HA 0.180 4.496 4.320 -0.006 0.000 0.193 998 K C 0.394 176.992 176.600 -0.005 0.000 1.026 998 K CA 0.066 56.350 56.287 -0.005 0.000 1.064 998 K CB 0.629 33.128 32.500 -0.003 0.000 0.833 998 K HN 0.083 nan 8.250 nan 0.000 0.521 999 I N 1.847 122.413 120.570 -0.007 0.000 2.460 999 I HA 0.186 4.353 4.170 -0.006 0.000 0.298 999 I C 0.315 176.418 176.117 -0.022 0.000 0.989 999 I CA -0.490 60.804 61.300 -0.009 0.000 1.173 999 I CB 1.241 39.238 38.000 -0.006 0.000 1.338 999 I HN -0.059 nan 8.210 nan 0.000 0.456 1000 T N 3.287 117.827 114.554 -0.024 0.000 2.993 1000 T HA 0.696 5.043 4.350 -0.006 0.000 0.312 1000 T C -0.735 173.941 174.700 -0.041 0.000 1.115 1000 T CA -0.863 61.215 62.100 -0.037 0.000 1.027 1000 T CB 1.589 70.442 68.868 -0.026 0.000 1.116 1000 T HN 0.424 nan 8.240 nan 0.000 0.464 1001 M N 3.218 122.771 119.600 -0.078 0.000 2.227 1001 M HA 0.394 4.870 4.480 -0.006 0.000 0.335 1001 M C 1.126 177.398 176.300 -0.047 0.000 1.053 1001 M CA -0.934 54.318 55.300 -0.080 0.000 0.973 1001 M CB 2.132 34.582 32.600 -0.251 0.000 1.623 1001 M HN 0.904 nan 8.290 nan 0.000 0.434 1002 S N 2.798 118.506 115.700 0.012 0.000 2.355 1002 S HA 0.223 4.689 4.470 -0.006 0.000 0.216 1002 S C 0.679 175.318 174.600 0.065 0.000 1.037 1002 S CA 0.028 58.244 58.200 0.026 0.000 0.955 1002 S CB 0.152 63.369 63.200 0.028 0.000 0.877 1002 S HN 0.791 nan 8.310 nan 0.000 0.488 1003 R N 1.065 121.633 120.500 0.114 0.000 2.774 1003 R HA 0.528 4.864 4.340 -0.006 0.000 0.272 1003 R C -1.623 174.810 176.300 0.220 0.000 1.000 1003 R CA -0.705 55.486 56.100 0.152 0.000 0.906 1003 R CB 0.981 31.330 30.300 0.083 0.000 1.227 1003 R HN 0.191 nan 8.270 nan 0.000 0.468 1004 E N 0.811 121.111 120.200 0.166 0.000 2.390 1004 E HA 0.130 4.476 4.350 -0.006 0.000 0.261 1004 E C 0.352 176.921 176.600 -0.052 0.000 1.076 1004 E CA -0.069 56.298 56.400 -0.055 0.000 0.905 1004 E CB 0.985 30.588 29.700 -0.160 0.000 0.984 1004 E HN 0.447 nan 8.360 nan 0.000 0.427 1005 L N 0.568 121.727 121.223 -0.107 0.000 2.547 1005 L HA 0.353 4.689 4.340 -0.006 0.000 0.218 1005 L C 0.809 177.639 176.870 -0.066 0.000 1.048 1005 L CA 0.206 55.016 54.840 -0.051 0.000 0.859 1005 L CB 0.623 42.667 42.059 -0.024 0.000 1.128 1005 L HN 0.689 nan 8.230 nan 0.000 0.483 1006 G N -0.118 108.613 108.800 -0.116 0.000 2.386 1006 G HA2 0.204 4.161 3.960 -0.006 0.000 0.302 1006 G HA3 0.204 4.161 3.960 -0.006 0.000 0.302 1006 G C -1.825 173.009 174.900 -0.110 0.000 1.629 1006 G CA -0.668 44.378 45.100 -0.091 0.000 0.917 1006 G HN -0.154 nan 8.290 nan 0.000 0.676 1007 Q N -0.019 119.726 119.800 -0.091 0.000 2.395 1007 Q HA 0.584 4.921 4.340 -0.006 0.000 0.271 1007 Q C 0.761 176.738 176.000 -0.039 0.000 1.026 1007 Q CA 1.266 57.021 55.803 -0.080 0.000 0.900 1007 Q CB 0.971 29.672 28.738 -0.061 0.000 1.266 1007 Q HN 1.138 nan 8.270 nan 0.000 0.430 1008 G N 0.460 109.250 108.800 -0.017 0.000 3.108 1008 G HA2 0.361 4.318 3.960 -0.006 0.000 0.268 1008 G HA3 0.361 4.318 3.960 -0.006 0.000 0.268 1008 G C -0.001 174.909 174.900 0.016 0.000 1.361 1008 G CA -0.179 44.940 45.100 0.031 0.000 1.047 1008 G HN 0.639 nan 8.290 nan 0.000 0.540 1009 S N -0.874 114.848 115.700 0.038 0.000 2.383 1009 S HA -0.026 4.441 4.470 -0.006 0.000 0.227 1009 S C 1.655 176.101 174.600 -0.258 0.000 1.026 1009 S CA 1.356 59.485 58.200 -0.118 0.000 0.981 1009 S CB -0.268 62.839 63.200 -0.156 0.000 0.818 1009 S HN 0.402 nan 8.310 nan 0.000 0.472 1010 F N 0.740 120.688 119.950 -0.005 0.000 2.717 1010 F HA 0.437 4.961 4.527 -0.006 0.000 0.295 1010 F C 1.358 177.065 175.800 -0.155 0.000 1.117 1010 F CA 0.358 58.303 58.000 -0.091 0.000 1.361 1010 F CB 0.521 39.420 39.000 -0.169 0.000 1.112 1010 F HN 0.298 nan 8.300 nan 0.000 0.594 1011 G N -0.355 108.468 108.800 0.038 0.000 2.324 1011 G HA2 0.292 4.248 3.960 -0.006 0.000 0.293 1011 G HA3 0.292 4.248 3.960 -0.006 0.000 0.293 1011 G C -1.571 173.306 174.900 -0.039 0.000 1.297 1011 G CA -1.166 43.921 45.100 -0.022 0.000 0.853 1011 G HN -0.139 nan 8.290 nan 0.000 0.535 1012 M N 0.627 120.178 119.600 -0.082 0.000 2.248 1012 M HA 0.504 4.980 4.480 -0.006 0.000 0.345 1012 M C -0.127 176.003 176.300 -0.283 0.000 1.243 1012 M CA 0.009 55.165 55.300 -0.240 0.000 1.090 1012 M CB 0.771 33.132 32.600 -0.398 0.000 1.683 1012 M HN 0.455 nan 8.290 nan 0.000 0.450 1013 V N 7.231 126.958 119.914 -0.312 0.000 2.435 1013 V HA 0.446 4.562 4.120 -0.006 0.000 0.290 1013 V C -0.772 175.137 176.094 -0.309 0.000 1.030 1013 V CA -0.484 61.719 62.300 -0.161 0.000 0.881 1013 V CB 0.839 32.636 31.823 -0.043 0.000 0.983 1013 V HN 0.825 nan 8.190 nan 0.000 0.445 1014 Y N 1.513 121.826 120.300 0.022 0.000 2.650 1014 Y HA 0.603 5.149 4.550 -0.006 0.000 0.331 1014 Y C 0.303 176.211 175.900 0.015 0.000 1.082 1014 Y CA -0.921 57.188 58.100 0.015 0.000 1.171 1014 Y CB 1.392 39.859 38.460 0.011 0.000 1.326 1014 Y HN 0.551 nan 8.280 nan 0.000 0.513 1015 E N -0.079 120.244 120.200 0.206 0.000 2.221 1015 E HA 0.689 5.035 4.350 -0.006 0.000 0.268 1015 E C -0.615 176.043 176.600 0.097 0.000 0.933 1015 E CA -0.527 55.940 56.400 0.110 0.000 0.809 1015 E CB 1.978 31.721 29.700 0.072 0.000 1.190 1015 E HN 0.869 nan 8.360 nan 0.000 0.406 1016 G N 0.674 109.508 108.800 0.058 0.000 2.435 1016 G HA2 0.393 4.350 3.960 -0.006 0.000 0.296 1016 G HA3 0.393 4.350 3.960 -0.006 0.000 0.296 1016 G C -1.595 173.318 174.900 0.021 0.000 1.240 1016 G CA -0.308 44.812 45.100 0.032 0.000 0.872 1016 G HN 0.449 nan 8.290 nan 0.000 0.480 1017 V N -0.017 119.904 119.914 0.011 0.000 2.841 1017 V HA 0.835 4.951 4.120 -0.006 0.000 0.310 1017 V C -0.107 175.990 176.094 0.006 0.000 1.090 1017 V CA -0.202 62.103 62.300 0.008 0.000 0.930 1017 V CB 1.532 33.358 31.823 0.004 0.000 1.014 1017 V HN 1.713 nan 8.190 nan 0.000 0.425 1018 A N 3.586 126.411 122.820 0.008 0.000 2.371 1018 A HA 0.780 5.097 4.320 -0.006 0.000 0.311 1018 A C -0.613 176.974 177.584 0.004 0.000 1.068 1018 A CA -0.796 51.246 52.037 0.008 0.000 0.744 1018 A CB 1.287 20.297 19.000 0.016 0.000 1.239 1018 A HN 0.744 nan 8.150 nan 0.000 0.435 1019 K N 0.961 121.361 120.400 0.000 0.000 2.172 1019 K HA 0.487 4.803 4.320 -0.006 0.000 0.276 1019 K C 0.772 177.368 176.600 -0.007 0.000 1.013 1019 K CA 0.285 56.570 56.287 -0.004 0.000 0.913 1019 K CB 1.324 33.821 32.500 -0.006 0.000 1.055 1019 K HN 1.584 nan 8.250 nan 0.000 0.461 1020 G N 1.425 110.219 108.800 -0.010 0.000 2.323 1020 G HA2 -0.242 3.714 3.960 -0.006 0.000 0.292 1020 G HA3 -0.242 3.714 3.960 -0.006 0.000 0.292 1020 G C 0.476 175.363 174.900 -0.021 0.000 1.040 1020 G CA 0.558 45.648 45.100 -0.017 0.000 0.942 1020 G HN 0.525 nan 8.290 nan 0.000 0.506 1021 V N -4.043 115.864 119.914 -0.012 0.000 3.660 1021 V HA 0.602 4.719 4.120 -0.006 0.000 0.276 1021 V C 0.876 176.962 176.094 -0.013 0.000 1.317 1021 V CA 0.497 62.792 62.300 -0.009 0.000 1.097 1021 V CB 0.688 32.520 31.823 0.016 0.000 0.863 1021 V HN 0.453 nan 8.190 nan 0.000 0.438 1022 V N 1.115 121.021 119.914 -0.014 0.000 2.735 1022 V HA 0.375 4.491 4.120 -0.006 0.000 0.310 1022 V C 0.019 176.100 176.094 -0.022 0.000 1.061 1022 V CA -1.187 61.105 62.300 -0.013 0.000 0.913 1022 V CB 2.035 33.857 31.823 -0.002 0.000 1.005 1022 V HN 0.432 nan 8.190 nan 0.000 0.428 1023 K N 2.980 123.364 120.400 -0.026 0.000 2.472 1023 K HA 0.003 4.320 4.320 -0.006 0.000 0.280 1023 K C 0.013 176.600 176.600 -0.020 0.000 1.028 1023 K CA 0.420 56.690 56.287 -0.028 0.000 1.045 1023 K CB 0.048 32.530 32.500 -0.030 0.000 0.902 1023 K HN 0.792 nan 8.250 nan 0.000 0.478 1024 D N 2.426 122.813 120.400 -0.021 0.000 2.911 1024 D HA -0.180 4.457 4.640 -0.006 0.000 0.227 1024 D C -0.937 175.355 176.300 -0.013 0.000 1.164 1024 D CA 1.170 55.160 54.000 -0.016 0.000 0.782 1024 D CB -0.812 39.979 40.800 -0.015 0.000 1.094 1024 D HN 0.696 nan 8.370 nan 0.000 0.425 1025 E N -0.773 119.420 120.200 -0.012 0.000 2.331 1025 E HA 0.199 4.545 4.350 -0.006 0.000 0.243 1025 E C -1.845 174.750 176.600 -0.009 0.000 0.925 1025 E CA -1.920 54.475 56.400 -0.008 0.000 0.760 1025 E CB 1.580 31.277 29.700 -0.006 0.000 1.254 1025 E HN -0.149 nan 8.360 nan 0.000 0.419 1026 P HA -0.189 nan 4.420 nan 0.000 0.216 1026 P C -0.527 176.769 177.300 -0.006 0.000 1.157 1026 P CA 1.466 64.561 63.100 -0.008 0.000 0.880 1026 P CB 0.330 32.026 31.700 -0.006 0.000 0.791 1027 E N -2.813 117.385 120.200 -0.004 0.000 2.393 1027 E HA 0.526 4.872 4.350 -0.006 0.000 0.273 1027 E C -0.982 175.619 176.600 0.001 0.000 0.918 1027 E CA -0.663 55.736 56.400 -0.002 0.000 0.773 1027 E CB 2.267 31.966 29.700 -0.001 0.000 1.275 1027 E HN -0.286 nan 8.360 nan 0.000 0.451 1028 T N 1.140 115.696 114.554 0.003 0.000 2.993 1028 T HA 0.351 4.697 4.350 -0.006 0.000 0.312 1028 T C -0.773 173.932 174.700 0.008 0.000 1.115 1028 T CA -0.848 61.255 62.100 0.006 0.000 1.027 1028 T CB 1.213 70.085 68.868 0.008 0.000 1.116 1028 T HN 0.257 nan 8.240 nan 0.000 0.464 1029 R N 1.499 122.003 120.500 0.007 0.000 2.438 1029 R HA 0.668 5.005 4.340 -0.006 0.000 0.287 1029 R C 0.055 176.363 176.300 0.013 0.000 1.077 1029 R CA -0.553 55.553 56.100 0.009 0.000 1.034 1029 R CB 0.688 30.991 30.300 0.005 0.000 0.993 1029 R HN 0.511 nan 8.270 nan 0.000 0.459 1030 V N -1.617 118.309 119.914 0.020 0.000 3.182 1030 V HA 0.876 4.992 4.120 -0.006 0.000 0.308 1030 V C -0.956 175.160 176.094 0.037 0.000 1.240 1030 V CA -1.350 60.965 62.300 0.025 0.000 1.063 1030 V CB 1.978 33.819 31.823 0.030 0.000 1.076 1030 V HN 0.783 nan 8.190 nan 0.000 0.446 1031 A N 1.975 124.819 122.820 0.040 0.000 2.288 1031 A HA 0.847 5.164 4.320 -0.006 0.000 0.320 1031 A C -0.584 177.046 177.584 0.077 0.000 1.217 1031 A CA -0.585 51.485 52.037 0.055 0.000 0.840 1031 A CB 0.534 19.556 19.000 0.037 0.000 1.179 1031 A HN 0.804 nan 8.150 nan 0.000 0.504 1032 I N 3.098 123.742 120.570 0.123 0.000 2.330 1032 I HA 0.250 4.417 4.170 -0.006 0.000 0.286 1032 I C -0.059 176.179 176.117 0.201 0.000 1.025 1032 I CA -0.343 61.048 61.300 0.152 0.000 1.197 1032 I CB 0.744 38.838 38.000 0.157 0.000 1.358 1032 I HN 0.579 nan 8.210 nan 0.000 0.467 1033 K N 5.009 125.524 120.400 0.192 0.000 2.234 1033 K HA 0.504 4.821 4.320 -0.006 0.000 0.282 1033 K C 0.462 177.219 176.600 0.262 0.000 1.039 1033 K CA -0.292 56.143 56.287 0.247 0.000 0.928 1033 K CB 1.960 34.652 32.500 0.320 0.000 1.039 1033 K HN 0.732 nan 8.250 nan 0.000 0.470 1034 T N -2.121 112.486 114.554 0.089 0.000 2.888 1034 T HA 0.580 4.927 4.350 -0.006 0.000 0.288 1034 T C -0.442 174.017 174.700 -0.401 0.000 1.063 1034 T CA -0.812 61.225 62.100 -0.106 0.000 1.010 1034 T CB 1.386 70.303 68.868 0.081 0.000 1.214 1034 T HN 0.155 nan 8.240 nan 0.000 0.533 1035 V N 2.315 121.966 119.914 -0.438 0.000 2.540 1035 V HA 0.481 4.598 4.120 -0.006 0.000 0.302 1035 V C 0.288 176.296 176.094 -0.143 0.000 1.035 1035 V CA -1.220 60.857 62.300 -0.371 0.000 0.873 1035 V CB 1.467 32.997 31.823 -0.488 0.000 0.992 1035 V HN 0.998 nan 8.190 nan 0.000 0.428 1036 N N 2.870 121.528 118.700 -0.070 0.000 2.441 1036 N HA -0.002 4.734 4.740 -0.006 0.000 0.251 1036 N C 1.475 176.967 175.510 -0.030 0.000 1.242 1036 N CA 0.503 53.534 53.050 -0.032 0.000 0.898 1036 N CB 1.213 39.688 38.487 -0.020 0.000 1.100 1036 N HN 0.944 nan 8.380 nan 0.000 0.443 1037 E N 2.325 122.515 120.200 -0.018 0.000 2.114 1037 E HA -0.257 4.090 4.350 -0.006 0.000 0.199 1037 E C 1.388 177.982 176.600 -0.010 0.000 1.008 1037 E CA 1.727 58.118 56.400 -0.014 0.000 0.810 1037 E CB -0.372 29.324 29.700 -0.008 0.000 0.739 1037 E HN 0.593 nan 8.360 nan 0.000 0.456 1038 A N 1.844 124.659 122.820 -0.009 0.000 2.139 1038 A HA 0.034 4.351 4.320 -0.006 0.000 0.221 1038 A C 1.574 179.157 177.584 -0.002 0.000 1.159 1038 A CA 1.028 53.061 52.037 -0.006 0.000 0.662 1038 A CB -0.738 18.257 19.000 -0.008 0.000 0.796 1038 A HN 0.486 nan 8.150 nan 0.000 0.463 1039 A N 0.734 123.553 122.820 -0.002 0.000 2.511 1039 A HA 0.469 4.785 4.320 -0.006 0.000 0.242 1039 A C 1.069 178.663 177.584 0.017 0.000 1.069 1039 A CA 0.290 52.335 52.037 0.014 0.000 0.763 1039 A CB -0.088 18.922 19.000 0.017 0.000 1.001 1039 A HN 0.989 nan 8.150 nan 0.000 0.498 1040 S N 2.280 117.998 115.700 0.031 0.000 2.598 1040 S HA 0.323 4.790 4.470 -0.006 0.000 0.267 1040 S C 1.143 175.764 174.600 0.035 0.000 1.189 1040 S CA 0.369 58.587 58.200 0.030 0.000 1.010 1040 S CB 0.162 63.382 63.200 0.034 0.000 1.084 1040 S HN 0.825 nan 8.310 nan 0.000 0.541 1041 M N 0.703 120.324 119.600 0.035 0.000 2.134 1041 M HA 0.161 4.638 4.480 -0.006 0.000 0.262 1041 M C 2.320 178.651 176.300 0.052 0.000 1.076 1041 M CA 1.504 56.826 55.300 0.037 0.000 1.143 1041 M CB -0.942 31.678 32.600 0.034 0.000 1.346 1041 M HN 0.795 nan 8.290 nan 0.000 0.421 1042 R N 0.047 120.582 120.500 0.058 0.000 2.103 1042 R HA -0.222 4.115 4.340 -0.006 0.000 0.242 1042 R C 1.940 178.305 176.300 0.108 0.000 1.142 1042 R CA 2.376 58.520 56.100 0.073 0.000 0.960 1042 R CB -0.418 29.922 30.300 0.066 0.000 0.858 1042 R HN 0.589 nan 8.270 nan 0.000 0.439 1043 E N -0.197 120.082 120.200 0.132 0.000 2.031 1043 E HA -0.189 4.158 4.350 -0.006 0.000 0.193 1043 E C 2.242 178.959 176.600 0.195 0.000 0.994 1043 E CA 1.300 57.848 56.400 0.246 0.000 0.800 1043 E CB -0.099 29.740 29.700 0.232 0.000 0.752 1043 E HN 0.373 nan 8.360 nan 0.000 0.447 1044 R N 0.405 120.957 120.500 0.087 0.000 2.127 1044 R HA -0.124 4.213 4.340 -0.006 0.000 0.238 1044 R C 2.374 178.685 176.300 0.019 0.000 1.134 1044 R CA 1.023 57.132 56.100 0.015 0.000 0.975 1044 R CB -0.323 29.971 30.300 -0.010 0.000 0.865 1044 R HN 0.266 nan 8.270 nan 0.000 0.447 1045 I N 0.408 120.993 120.570 0.025 0.000 2.233 1045 I HA -0.214 3.952 4.170 -0.006 0.000 0.243 1045 I C 2.615 178.721 176.117 -0.018 0.000 1.093 1045 I CA 1.060 62.364 61.300 0.007 0.000 1.380 1045 I CB -0.292 37.745 38.000 0.063 0.000 1.067 1045 I HN 0.250 nan 8.210 nan 0.000 0.413 1046 E N 1.195 121.415 120.200 0.033 0.000 2.038 1046 E HA -0.311 4.035 4.350 -0.006 0.000 0.195 1046 E C 2.227 178.748 176.600 -0.131 0.000 1.000 1046 E CA 1.781 58.208 56.400 0.045 0.000 0.803 1046 E CB -0.225 29.598 29.700 0.206 0.000 0.750 1046 E HN 0.365 nan 8.360 nan 0.000 0.448 1047 F N 0.990 120.589 119.950 -0.585 0.000 2.087 1047 F HA -0.270 4.253 4.527 -0.006 0.000 0.299 1047 F C 1.880 177.341 175.800 -0.566 0.000 1.100 1047 F CA 1.298 58.637 58.000 -1.101 0.000 1.226 1047 F CB -0.382 37.870 39.000 -1.247 0.000 0.983 1047 F HN 0.101 nan 8.300 nan 0.000 0.479 1048 L N 0.976 121.898 121.223 -0.502 0.000 2.017 1048 L HA -0.220 4.117 4.340 -0.006 0.000 0.208 1048 L C 2.261 178.880 176.870 -0.418 0.000 1.073 1048 L CA 1.636 56.107 54.840 -0.616 0.000 0.745 1048 L CB -1.597 40.020 42.059 -0.738 0.000 0.894 1048 L HN 0.228 nan 8.230 nan 0.000 0.432 1049 N N -0.684 117.895 118.700 -0.202 0.000 2.309 1049 N HA -0.184 4.552 4.740 -0.006 0.000 0.182 1049 N C 1.792 177.212 175.510 -0.150 0.000 1.018 1049 N CA 0.835 53.840 53.050 -0.074 0.000 0.876 1049 N CB 0.091 38.585 38.487 0.011 0.000 0.972 1049 N HN 0.506 nan 8.380 nan 0.000 0.434 1050 E N 0.849 120.923 120.200 -0.209 0.000 2.072 1050 E HA -0.023 4.323 4.350 -0.006 0.000 0.190 1050 E C 1.722 178.147 176.600 -0.291 0.000 0.982 1050 E CA 0.701 56.989 56.400 -0.185 0.000 0.803 1050 E CB 0.047 29.675 29.700 -0.119 0.000 0.755 1050 E HN 0.256 nan 8.360 nan 0.000 0.453 1051 A N 0.410 122.958 122.820 -0.452 0.000 2.070 1051 A HA -0.098 4.218 4.320 -0.006 0.000 0.220 1051 A C 2.231 179.551 177.584 -0.440 0.000 1.159 1051 A CA 1.385 53.127 52.037 -0.490 0.000 0.656 1051 A CB -0.302 18.291 19.000 -0.677 0.000 0.800 1051 A HN 0.222 nan 8.150 nan 0.000 0.453 1052 S N -0.127 115.347 115.700 -0.377 0.000 2.474 1052 S HA -0.096 4.370 4.470 -0.006 0.000 0.235 1052 S C 1.859 176.237 174.600 -0.370 0.000 0.997 1052 S CA 1.194 59.172 58.200 -0.370 0.000 0.949 1052 S CB -0.523 62.551 63.200 -0.210 0.000 0.766 1052 S HN 0.635 nan 8.310 nan 0.000 0.517 1053 V N 0.105 119.836 119.914 -0.305 0.000 2.392 1053 V HA -0.169 3.948 4.120 -0.006 0.000 0.249 1053 V C 2.080 177.968 176.094 -0.344 0.000 1.059 1053 V CA 1.219 63.362 62.300 -0.260 0.000 1.051 1053 V CB -0.901 30.830 31.823 -0.154 0.000 0.658 1053 V HN 0.414 nan 8.190 nan 0.000 0.455 1054 M N 0.163 119.524 119.600 -0.399 0.000 2.460 1054 M HA -0.031 4.446 4.480 -0.006 0.000 0.263 1054 M C 2.001 178.060 176.300 -0.403 0.000 1.071 1054 M CA 1.158 56.264 55.300 -0.324 0.000 1.096 1054 M CB -1.212 31.155 32.600 -0.389 0.000 1.408 1054 M HN 0.453 nan 8.290 nan 0.000 0.463 1055 K N 0.352 120.381 120.400 -0.618 0.000 2.147 1055 K HA -0.181 4.135 4.320 -0.006 0.000 0.205 1055 K C 1.898 178.296 176.600 -0.336 0.000 1.049 1055 K CA 1.141 56.972 56.287 -0.759 0.000 0.936 1055 K CB -0.112 31.851 32.500 -0.896 0.000 0.722 1055 K HN 0.439 nan 8.250 nan 0.000 0.446 1056 E N 0.142 120.020 120.200 -0.535 0.000 2.274 1056 E HA -0.073 4.273 4.350 -0.006 0.000 0.194 1056 E C -0.475 175.782 176.600 -0.572 0.000 0.996 1056 E CA 0.370 56.390 56.400 -0.634 0.000 0.840 1056 E CB 0.254 29.347 29.700 -1.012 0.000 0.772 1056 E HN 0.027 nan 8.360 nan 0.000 0.491 1057 F N 0.328 120.294 119.950 0.027 0.000 2.422 1057 F HA 0.409 4.932 4.527 -0.006 0.000 0.333 1057 F C -0.066 175.815 175.800 0.135 0.000 1.095 1057 F CA -1.167 56.938 58.000 0.175 0.000 1.038 1057 F CB 1.222 40.346 39.000 0.206 0.000 1.156 1057 F HN -0.228 nan 8.300 nan 0.000 0.483 1058 N N 1.474 120.376 118.700 0.337 0.000 2.653 1058 N HA 0.376 5.113 4.740 -0.006 0.000 0.261 1058 N C -1.997 173.379 175.510 -0.223 0.000 1.216 1058 N CA -0.063 53.038 53.050 0.085 0.000 0.784 1058 N CB 0.949 39.510 38.487 0.123 0.000 1.327 1058 N HN 0.781 nan 8.380 nan 0.000 0.539 1059 C N 2.617 121.707 119.300 -0.350 0.000 2.698 1059 C HA 0.438 4.894 4.460 -0.006 0.000 0.309 1059 C C 1.650 176.520 174.990 -0.201 0.000 1.186 1059 C CA -0.496 58.221 59.018 -0.502 0.000 1.474 1059 C CB 0.807 27.960 27.740 -0.977 0.000 2.020 1059 C HN 0.986 nan 8.230 nan 0.000 0.474 1060 H N 1.274 120.188 119.070 -0.259 0.000 2.456 1060 H HA 0.004 4.557 4.556 -0.006 0.000 0.296 1060 H C 1.034 176.157 175.328 -0.342 0.000 1.079 1060 H CA 2.231 58.096 56.048 -0.304 0.000 1.322 1060 H CB -0.060 29.457 29.762 -0.409 0.000 1.388 1060 H HN 0.856 nan 8.280 nan 0.000 0.538 1061 H N -1.024 118.008 119.070 -0.063 0.000 2.568 1061 H HA 0.365 4.918 4.556 -0.006 0.000 0.302 1061 H C -0.739 174.556 175.328 -0.054 0.000 1.065 1061 H CA -0.145 55.865 56.048 -0.063 0.000 1.140 1061 H CB 0.479 30.282 29.762 0.069 0.000 1.474 1061 H HN 0.010 nan 8.280 nan 0.000 0.545 1062 V N 1.213 121.117 119.914 -0.018 0.000 2.623 1062 V HA 0.109 4.226 4.120 -0.006 0.000 0.304 1062 V C -0.006 176.078 176.094 -0.017 0.000 1.054 1062 V CA -1.126 61.187 62.300 0.022 0.000 0.882 1062 V CB 2.397 34.243 31.823 0.038 0.000 1.002 1062 V HN -0.018 nan 8.190 nan 0.000 0.424 1063 V N 5.034 124.949 119.914 0.001 0.000 2.617 1063 V HA 0.097 4.213 4.120 -0.006 0.000 0.304 1063 V C 0.743 176.816 176.094 -0.034 0.000 1.040 1063 V CA 0.348 62.632 62.300 -0.027 0.000 1.149 1063 V CB 0.301 32.114 31.823 -0.016 0.000 0.914 1063 V HN 0.782 nan 8.190 nan 0.000 0.487 1064 R N 3.054 123.537 120.500 -0.028 0.000 2.404 1064 R HA 0.505 4.842 4.340 -0.006 0.000 0.291 1064 R C -0.642 175.653 176.300 -0.010 0.000 1.025 1064 R CA -0.898 55.199 56.100 -0.005 0.000 0.991 1064 R CB 1.233 31.549 30.300 0.026 0.000 1.053 1064 R HN 0.592 nan 8.270 nan 0.000 0.479 1065 L N 4.731 125.939 121.223 -0.025 0.000 2.305 1065 L HA 0.215 4.551 4.340 -0.006 0.000 0.281 1065 L C -0.109 176.854 176.870 0.155 0.000 1.085 1065 L CA 0.490 55.299 54.840 -0.052 0.000 0.813 1065 L CB 1.061 42.948 42.059 -0.286 0.000 1.157 1065 L HN 0.765 nan 8.230 nan 0.000 0.436 1066 L N 4.448 125.763 121.223 0.154 0.000 2.575 1066 L HA 0.554 4.891 4.340 -0.006 0.000 0.228 1066 L C 0.845 177.883 176.870 0.280 0.000 1.075 1066 L CA 0.379 55.349 54.840 0.217 0.000 0.867 1066 L CB 0.201 42.321 42.059 0.101 0.000 1.097 1066 L HN 0.859 nan 8.230 nan 0.000 0.485 1067 G N -0.793 108.161 108.800 0.257 0.000 2.322 1067 G HA2 0.408 4.364 3.960 -0.006 0.000 0.295 1067 G HA3 0.408 4.364 3.960 -0.006 0.000 0.295 1067 G C -2.267 172.713 174.900 0.133 0.000 1.369 1067 G CA -0.199 45.061 45.100 0.267 0.000 0.821 1067 G HN -0.278 nan 8.290 nan 0.000 0.536 1068 V N -1.116 118.872 119.914 0.124 0.000 3.087 1068 V HA 0.751 4.868 4.120 -0.006 0.000 0.306 1068 V C -1.285 174.837 176.094 0.047 0.000 1.187 1068 V CA -0.632 61.690 62.300 0.036 0.000 0.999 1068 V CB 2.240 34.053 31.823 -0.017 0.000 1.049 1068 V HN 1.130 nan 8.190 nan 0.000 0.431 1069 V N 5.341 125.266 119.914 0.018 0.000 2.320 1069 V HA 0.331 4.448 4.120 -0.006 0.000 0.268 1069 V C 0.791 176.884 176.094 -0.001 0.000 1.021 1069 V CA 0.501 62.815 62.300 0.024 0.000 0.813 1069 V CB 0.738 32.577 31.823 0.026 0.000 1.054 1069 V HN 1.044 nan 8.190 nan 0.000 0.444 1070 S N 1.906 117.601 115.700 -0.008 0.000 2.486 1070 S HA 0.127 4.594 4.470 -0.006 0.000 0.220 1070 S C 0.746 175.360 174.600 0.024 0.000 1.011 1070 S CA -0.110 58.061 58.200 -0.047 0.000 0.921 1070 S CB 0.132 63.283 63.200 -0.081 0.000 0.785 1070 S HN 0.576 nan 8.310 nan 0.000 0.517 1071 Q N 2.292 122.120 119.800 0.047 0.000 2.344 1071 Q HA 0.562 4.898 4.340 -0.006 0.000 0.253 1071 Q C 0.479 176.493 176.000 0.024 0.000 1.050 1071 Q CA 0.660 56.489 55.803 0.044 0.000 0.912 1071 Q CB 0.237 29.004 28.738 0.048 0.000 1.258 1071 Q HN 0.665 nan 8.270 nan 0.000 0.443 1072 G N 2.270 111.081 108.800 0.018 0.000 2.629 1072 G HA2 -0.158 3.798 3.960 -0.006 0.000 0.686 1072 G HA3 -0.158 3.798 3.960 -0.006 0.000 0.686 1072 G C -0.851 174.048 174.900 -0.001 0.000 1.232 1072 G CA -0.967 44.138 45.100 0.008 0.000 0.803 1072 G HN 0.433 nan 8.290 nan 0.000 0.638 1073 Q N 0.763 120.560 119.800 -0.006 0.000 2.313 1073 Q HA 0.506 4.842 4.340 -0.006 0.000 0.266 1073 Q C -2.003 173.985 176.000 -0.019 0.000 0.989 1073 Q CA 0.228 56.023 55.803 -0.014 0.000 0.890 1073 Q CB 0.755 29.486 28.738 -0.012 0.000 1.200 1073 Q HN 0.538 nan 8.270 nan 0.000 0.396 1074 P HA -0.082 nan 4.420 nan 0.000 0.014 1074 P C -1.325 175.957 177.300 -0.031 0.000 0.739 1074 P CA 0.179 63.257 63.100 -0.037 0.000 1.035 1074 P CB -0.746 30.932 31.700 -0.038 0.000 1.909 1075 T N 3.242 117.767 114.554 -0.048 0.000 2.792 1075 T HA 0.237 4.583 4.350 -0.006 0.000 0.286 1075 T C 0.992 175.718 174.700 0.044 0.000 0.970 1075 T CA 0.568 62.661 62.100 -0.012 0.000 1.187 1075 T CB 0.083 68.927 68.868 -0.040 0.000 0.915 1075 T HN 0.127 nan 8.240 nan 0.000 0.529 1076 L N 3.022 124.316 121.223 0.118 0.000 2.271 1076 L HA 0.893 5.230 4.340 -0.006 0.000 0.265 1076 L C -0.439 176.546 176.870 0.192 0.000 1.013 1076 L CA -1.297 53.648 54.840 0.175 0.000 0.820 1076 L CB 1.768 43.876 42.059 0.082 0.000 1.352 1076 L HN 0.240 nan 8.230 nan 0.000 0.443 1077 V N 1.618 121.628 119.914 0.159 0.000 2.697 1077 V HA 0.332 4.449 4.120 -0.006 0.000 0.300 1077 V C -1.057 175.057 176.094 0.034 0.000 1.115 1077 V CA -0.278 62.026 62.300 0.007 0.000 0.912 1077 V CB 2.186 33.906 31.823 -0.172 0.000 1.024 1077 V HN 0.388 nan 8.190 nan 0.000 0.431 1078 I N 6.468 127.050 120.570 0.020 0.000 2.315 1078 I HA 0.538 4.704 4.170 -0.006 0.000 0.291 1078 I C 0.143 176.271 176.117 0.018 0.000 1.006 1078 I CA 0.052 61.373 61.300 0.035 0.000 1.265 1078 I CB 1.239 39.269 38.000 0.049 0.000 1.387 1078 I HN 0.383 nan 8.210 nan 0.000 0.475 1079 M N 4.089 123.697 119.600 0.014 0.000 2.664 1079 M HA 0.382 4.858 4.480 -0.006 0.000 0.314 1079 M C 0.111 176.416 176.300 0.008 0.000 1.200 1079 M CA -0.810 54.488 55.300 -0.003 0.000 0.916 1079 M CB 1.425 34.014 32.600 -0.017 0.000 1.717 1079 M HN 0.545 nan 8.290 nan 0.000 0.470 1080 E N 1.672 121.873 120.200 0.001 0.000 2.452 1080 E HA 0.087 4.433 4.350 -0.006 0.000 0.261 1080 E C -1.153 175.443 176.600 -0.007 0.000 0.987 1080 E CA -0.118 56.281 56.400 -0.002 0.000 0.926 1080 E CB 0.730 30.421 29.700 -0.014 0.000 0.934 1080 E HN 0.541 nan 8.360 nan 0.000 0.452 1081 L N 5.601 126.820 121.223 -0.006 0.000 2.319 1081 L HA 0.145 4.482 4.340 -0.006 0.000 0.280 1081 L C -0.475 176.378 176.870 -0.028 0.000 1.099 1081 L CA -0.262 54.572 54.840 -0.009 0.000 0.828 1081 L CB 0.703 42.760 42.059 -0.004 0.000 1.150 1081 L HN 0.718 nan 8.230 nan 0.000 0.442 1082 M N 4.591 124.173 119.600 -0.030 0.000 2.325 1082 M HA 0.136 4.612 4.480 -0.006 0.000 0.305 1082 M C 1.267 177.536 176.300 -0.052 0.000 1.047 1082 M CA -0.398 54.873 55.300 -0.050 0.000 0.981 1082 M CB 0.395 32.972 32.600 -0.038 0.000 1.307 1082 M HN 0.587 nan 8.290 nan 0.000 0.418 1083 T N -0.867 113.647 114.554 -0.067 0.000 2.822 1083 T HA -0.161 4.186 4.350 -0.006 0.000 0.270 1083 T C 1.470 176.132 174.700 -0.064 0.000 1.064 1083 T CA 1.301 63.364 62.100 -0.061 0.000 1.131 1083 T CB -0.133 68.689 68.868 -0.076 0.000 0.858 1083 T HN 0.576 nan 8.240 nan 0.000 0.483 1084 R N 1.329 121.767 120.500 -0.105 0.000 2.310 1084 R HA 0.418 4.755 4.340 -0.006 0.000 0.202 1084 R C 1.590 177.888 176.300 -0.003 0.000 0.933 1084 R CA 0.215 56.266 56.100 -0.082 0.000 1.054 1084 R CB -0.245 29.916 30.300 -0.230 0.000 0.985 1084 R HN 0.612 nan 8.270 nan 0.000 0.489 1085 G N 2.066 110.863 108.800 -0.004 0.000 2.642 1085 G HA2 -0.278 3.679 3.960 -0.006 0.000 0.231 1085 G HA3 -0.278 3.679 3.960 -0.006 0.000 0.231 1085 G C -0.794 174.133 174.900 0.045 0.000 1.338 1085 G CA -0.220 44.898 45.100 0.031 0.000 0.883 1085 G HN 0.447 nan 8.290 nan 0.000 0.570 1086 D N 0.020 120.461 120.400 0.067 0.000 2.339 1086 D HA 0.280 4.917 4.640 -0.006 0.000 0.245 1086 D C 1.726 178.102 176.300 0.126 0.000 1.115 1086 D CA -0.215 53.833 54.000 0.079 0.000 0.917 1086 D CB 1.551 42.393 40.800 0.071 0.000 1.192 1086 D HN 0.568 nan 8.370 nan 0.000 0.428 1087 L N 1.742 123.043 121.223 0.130 0.000 2.042 1087 L HA -0.210 4.127 4.340 -0.006 0.000 0.210 1087 L C 2.463 179.458 176.870 0.208 0.000 1.076 1087 L CA 1.937 56.893 54.840 0.194 0.000 0.749 1087 L CB -0.886 41.269 42.059 0.160 0.000 0.893 1087 L HN 0.637 nan 8.230 nan 0.000 0.432 1088 K N -1.125 119.366 120.400 0.153 0.000 2.009 1088 K HA -0.172 4.145 4.320 -0.006 0.000 0.210 1088 K C 2.061 178.732 176.600 0.119 0.000 1.049 1088 K CA 1.855 58.225 56.287 0.138 0.000 0.929 1088 K CB -0.203 32.372 32.500 0.125 0.000 0.714 1088 K HN 0.373 nan 8.250 nan 0.000 0.440 1089 S N -0.002 115.769 115.700 0.119 0.000 2.382 1089 S HA -0.176 4.290 4.470 -0.006 0.000 0.228 1089 S C 1.610 176.284 174.600 0.124 0.000 1.027 1089 S CA 1.298 59.560 58.200 0.103 0.000 0.991 1089 S CB -0.470 62.787 63.200 0.096 0.000 0.823 1089 S HN 0.460 nan 8.310 nan 0.000 0.469 1090 Y N 2.147 122.481 120.300 0.057 0.000 2.242 1090 Y HA 0.003 4.549 4.550 -0.006 0.000 0.291 1090 Y C 1.748 177.687 175.900 0.066 0.000 1.137 1090 Y CA 1.034 59.174 58.100 0.067 0.000 1.181 1090 Y CB -0.435 38.074 38.460 0.082 0.000 0.989 1090 Y HN 0.146 nan 8.280 nan 0.000 0.527 1091 L N -0.191 120.964 121.223 -0.112 0.000 2.056 1091 L HA -0.172 4.165 4.340 -0.006 0.000 0.207 1091 L C 2.604 179.381 176.870 -0.156 0.000 1.078 1091 L CA 1.160 55.883 54.840 -0.195 0.000 0.749 1091 L CB -0.499 41.547 42.059 -0.021 0.000 0.901 1091 L HN 0.099 nan 8.230 nan 0.000 0.433 1092 R N 0.005 120.467 120.500 -0.063 0.000 2.120 1092 R HA -0.116 4.220 4.340 -0.006 0.000 0.234 1092 R C 2.412 178.674 176.300 -0.063 0.000 1.123 1092 R CA 1.568 57.645 56.100 -0.040 0.000 0.975 1092 R CB -0.632 29.673 30.300 0.008 0.000 0.866 1092 R HN 0.455 nan 8.270 nan 0.000 0.446 1093 S N 0.564 116.212 115.700 -0.086 0.000 2.547 1093 S HA 0.006 4.473 4.470 -0.006 0.000 0.235 1093 S C 1.838 176.369 174.600 -0.114 0.000 0.980 1093 S CA 0.520 58.677 58.200 -0.073 0.000 0.941 1093 S CB -0.174 63.007 63.200 -0.032 0.000 0.763 1093 S HN 0.253 nan 8.310 nan 0.000 0.532 1094 L N -0.085 121.030 121.223 -0.179 0.000 2.513 1094 L HA 0.285 4.622 4.340 -0.006 0.000 0.222 1094 L C 1.124 177.932 176.870 -0.105 0.000 1.096 1094 L CA -0.221 54.519 54.840 -0.167 0.000 0.857 1094 L CB -0.187 41.724 42.059 -0.248 0.000 1.026 1094 L HN 0.096 nan 8.230 nan 0.000 0.469 1095 R N 1.427 121.874 120.500 -0.089 0.000 2.583 1095 R HA -0.000 4.336 4.340 -0.006 0.000 0.274 1095 R C -1.854 174.417 176.300 -0.049 0.000 0.998 1095 R CA -1.338 54.724 56.100 -0.065 0.000 1.081 1095 R CB -0.293 29.977 30.300 -0.050 0.000 0.940 1095 R HN -0.146 nan 8.270 nan 0.000 0.413 1096 P HA -0.119 nan 4.420 nan 0.000 0.207 1096 P C -1.092 176.194 177.300 -0.024 0.000 1.333 1096 P CA 1.101 64.181 63.100 -0.033 0.000 0.881 1096 P CB 0.061 31.741 31.700 -0.034 0.000 1.634 1104 L N 2.607 123.824 121.223 -0.010 0.000 2.400 1104 L HA 0.968 5.304 4.340 -0.006 0.000 0.264 1104 L C 0.983 177.834 176.870 -0.031 0.000 1.061 1104 L CA -0.164 54.666 54.840 -0.015 0.000 0.799 1104 L CB 1.028 43.082 42.059 -0.008 0.000 1.240 1104 L HN 0.767 nan 8.230 nan 0.000 0.461 1105 A N 0.442 123.240 122.820 -0.036 0.000 2.322 1105 A HA 0.671 4.988 4.320 -0.006 0.000 0.269 1105 A C -2.190 175.362 177.584 -0.054 0.000 1.094 1105 A CA -1.070 50.941 52.037 -0.043 0.000 0.807 1105 A CB -0.612 18.363 19.000 -0.042 0.000 1.047 1105 A HN 0.565 nan 8.150 nan 0.000 0.487 1106 P HA 0.332 nan 4.420 nan 0.000 0.274 1106 P C -2.518 174.743 177.300 -0.065 0.000 1.264 1106 P CA -0.713 62.344 63.100 -0.071 0.000 0.795 1106 P CB -0.384 31.273 31.700 -0.071 0.000 1.064 1107 P HA 0.169 nan 4.420 nan 0.000 0.285 1107 P C -0.481 176.791 177.300 -0.047 0.000 1.259 1107 P CA -0.282 62.791 63.100 -0.045 0.000 0.794 1107 P CB 0.556 32.243 31.700 -0.022 0.000 0.940 1108 S N 3.229 118.903 115.700 -0.043 0.000 2.603 1108 S HA 0.133 4.600 4.470 -0.006 0.000 0.268 1108 S C 1.283 175.862 174.600 -0.036 0.000 1.317 1108 S CA -0.722 57.454 58.200 -0.040 0.000 1.012 1108 S CB 0.291 63.468 63.200 -0.038 0.000 0.926 1108 S HN 0.428 nan 8.310 nan 0.000 0.539 1109 L N 1.342 122.544 121.223 -0.035 0.000 2.051 1109 L HA -0.165 4.172 4.340 -0.006 0.000 0.214 1109 L C 2.538 179.390 176.870 -0.030 0.000 1.076 1109 L CA 2.641 57.461 54.840 -0.033 0.000 0.758 1109 L CB -1.320 40.721 42.059 -0.029 0.000 0.890 1109 L HN 1.020 nan 8.230 nan 0.000 0.433 1110 S N -0.526 115.157 115.700 -0.028 0.000 2.359 1110 S HA -0.192 4.274 4.470 -0.006 0.000 0.224 1110 S C 1.940 176.526 174.600 -0.024 0.000 1.035 1110 S CA 1.260 59.444 58.200 -0.026 0.000 1.018 1110 S CB -0.028 63.158 63.200 -0.023 0.000 0.876 1110 S HN 0.421 nan 8.310 nan 0.000 0.448 1111 K N 0.975 121.361 120.400 -0.023 0.000 2.032 1111 K HA -0.051 4.266 4.320 -0.006 0.000 0.209 1111 K C 2.240 178.842 176.600 0.002 0.000 1.048 1111 K CA 1.572 57.851 56.287 -0.013 0.000 0.927 1111 K CB -0.752 31.738 32.500 -0.018 0.000 0.712 1111 K HN 0.516 nan 8.250 nan 0.000 0.441 1112 M N 0.459 120.055 119.600 -0.007 0.000 2.117 1112 M HA -0.133 4.344 4.480 -0.006 0.000 0.262 1112 M C 2.084 178.375 176.300 -0.015 0.000 1.065 1112 M CA 1.196 56.491 55.300 -0.008 0.000 1.114 1112 M CB -0.377 32.206 32.600 -0.028 0.000 1.361 1112 M HN -0.012 nan 8.290 nan 0.000 0.408 1113 I N 0.338 120.892 120.570 -0.027 0.000 2.361 1113 I HA -0.245 3.921 4.170 -0.006 0.000 0.251 1113 I C 2.453 178.536 176.117 -0.057 0.000 1.133 1113 I CA 1.529 62.804 61.300 -0.041 0.000 1.413 1113 I CB -1.254 36.714 38.000 -0.053 0.000 1.073 1113 I HN 0.363 nan 8.210 nan 0.000 0.424 1114 Q N 1.042 120.817 119.800 -0.041 0.000 1.990 1114 Q HA -0.130 4.206 4.340 -0.006 0.000 0.200 1114 Q C 2.320 178.313 176.000 -0.011 0.000 0.980 1114 Q CA 1.748 57.527 55.803 -0.041 0.000 0.832 1114 Q CB -0.238 28.504 28.738 0.008 0.000 0.897 1114 Q HN 0.410 nan 8.270 nan 0.000 0.427 1115 M N -0.467 119.152 119.600 0.031 0.000 2.082 1115 M HA -0.200 4.276 4.480 -0.006 0.000 0.258 1115 M C 2.181 178.522 176.300 0.068 0.000 1.069 1115 M CA 1.770 57.107 55.300 0.061 0.000 1.102 1115 M CB -0.546 32.101 32.600 0.078 0.000 1.336 1115 M HN 0.318 nan 8.290 nan 0.000 0.404 1116 A N 0.551 123.408 122.820 0.062 0.000 1.940 1116 A HA -0.063 4.253 4.320 -0.006 0.000 0.219 1116 A C 2.376 180.076 177.584 0.194 0.000 1.176 1116 A CA 1.964 54.101 52.037 0.166 0.000 0.631 1116 A CB -1.504 17.561 19.000 0.110 0.000 0.814 1116 A HN 0.579 nan 8.150 nan 0.000 0.446 1117 G N -0.497 108.299 108.800 -0.007 0.000 2.408 1117 G HA2 -0.148 3.808 3.960 -0.006 0.000 0.217 1117 G HA3 -0.148 3.808 3.960 -0.006 0.000 0.217 1117 G C 1.416 176.243 174.900 -0.122 0.000 1.150 1117 G CA 0.893 45.896 45.100 -0.162 0.000 0.776 1117 G HN 0.668 nan 8.290 nan 0.000 0.542 1118 E N 0.179 120.306 120.200 -0.121 0.000 2.047 1118 E HA -0.041 4.305 4.350 -0.006 0.000 0.191 1118 E C 2.492 179.012 176.600 -0.133 0.000 0.987 1118 E CA 0.622 56.846 56.400 -0.294 0.000 0.799 1118 E CB -0.140 29.503 29.700 -0.094 0.000 0.752 1118 E HN 0.462 nan 8.360 nan 0.000 0.449 1119 I N 1.460 122.057 120.570 0.045 0.000 2.179 1119 I HA -0.252 3.914 4.170 -0.006 0.000 0.242 1119 I C 2.604 178.724 176.117 0.005 0.000 1.088 1119 I CA 1.012 62.378 61.300 0.109 0.000 1.357 1119 I CB -0.346 37.824 38.000 0.284 0.000 1.051 1119 I HN 0.068 nan 8.210 nan 0.000 0.409 1120 A N 0.249 123.082 122.820 0.023 0.000 1.972 1120 A HA -0.290 4.026 4.320 -0.006 0.000 0.219 1120 A C 1.961 179.484 177.584 -0.101 0.000 1.169 1120 A CA 2.286 54.200 52.037 -0.206 0.000 0.635 1120 A CB -0.692 18.226 19.000 -0.136 0.000 0.810 1120 A HN 0.469 nan 8.150 nan 0.000 0.446 1121 D N -0.779 119.641 120.400 0.033 0.000 2.117 1121 D HA -0.020 4.616 4.640 -0.006 0.000 0.198 1121 D C 1.976 178.383 176.300 0.179 0.000 0.982 1121 D CA 1.546 55.669 54.000 0.205 0.000 0.828 1121 D CB -0.364 40.601 40.800 0.274 0.000 0.967 1121 D HN 0.294 nan 8.370 nan 0.000 0.464 1122 G N -0.255 108.595 108.800 0.085 0.000 2.422 1122 G HA2 -0.175 3.782 3.960 -0.006 0.000 0.218 1122 G HA3 -0.175 3.782 3.960 -0.006 0.000 0.218 1122 G C 1.489 176.357 174.900 -0.054 0.000 1.140 1122 G CA 0.423 45.570 45.100 0.079 0.000 0.775 1122 G HN 0.169 nan 8.290 nan 0.000 0.545 1123 M N 1.016 120.444 119.600 -0.287 0.000 2.236 1123 M HA 0.190 4.666 4.480 -0.006 0.000 0.266 1123 M C 2.946 179.006 176.300 -0.399 0.000 1.070 1123 M CA 0.982 55.926 55.300 -0.593 0.000 1.137 1123 M CB -0.998 30.662 32.600 -1.568 0.000 1.378 1123 M HN 0.299 nan 8.290 nan 0.000 0.426 1124 A N -0.730 121.985 122.820 -0.175 0.000 1.898 1124 A HA -0.215 4.102 4.320 -0.006 0.000 0.216 1124 A C 2.136 179.664 177.584 -0.093 0.000 1.181 1124 A CA 1.359 53.476 52.037 0.133 0.000 0.620 1124 A CB -1.091 18.158 19.000 0.416 0.000 0.819 1124 A HN 0.497 nan 8.150 nan 0.000 0.442 1125 Y N 0.597 120.591 120.300 -0.511 0.000 2.114 1125 Y HA -0.195 4.352 4.550 -0.006 0.000 0.284 1125 Y C 1.970 177.571 175.900 -0.499 0.000 1.143 1125 Y CA 1.937 59.383 58.100 -1.089 0.000 1.135 1125 Y CB -0.430 37.589 38.460 -0.734 0.000 0.980 1125 Y HN 0.208 nan 8.280 nan 0.000 0.499 1126 L N 0.362 121.399 121.223 -0.309 0.000 2.012 1126 L HA -0.300 4.036 4.340 -0.006 0.000 0.210 1126 L C 2.195 178.969 176.870 -0.159 0.000 1.073 1126 L CA 2.143 56.810 54.840 -0.290 0.000 0.748 1126 L CB -0.797 41.183 42.059 -0.132 0.000 0.891 1126 L HN 0.370 nan 8.230 nan 0.000 0.431 1127 N N -0.346 118.313 118.700 -0.069 0.000 2.166 1127 N HA -0.170 4.566 4.740 -0.006 0.000 0.186 1127 N C 1.883 177.397 175.510 0.006 0.000 1.019 1127 N CA 0.945 54.035 53.050 0.068 0.000 0.856 1127 N CB -0.141 38.458 38.487 0.185 0.000 0.993 1127 N HN 0.328 nan 8.380 nan 0.000 0.426 1128 A N 1.237 124.002 122.820 -0.091 0.000 1.972 1128 A HA -0.085 4.231 4.320 -0.006 0.000 0.219 1128 A C 1.415 178.892 177.584 -0.178 0.000 1.169 1128 A CA 1.115 53.107 52.037 -0.075 0.000 0.635 1128 A CB -0.165 18.805 19.000 -0.051 0.000 0.810 1128 A HN 0.298 nan 8.150 nan 0.000 0.446 1129 N N 0.563 119.089 118.700 -0.289 0.000 2.389 1129 N HA 0.037 4.773 4.740 -0.006 0.000 0.237 1129 N C -0.674 174.738 175.510 -0.164 0.000 1.148 1129 N CA -0.016 52.898 53.050 -0.225 0.000 0.854 1129 N CB 0.291 38.625 38.487 -0.255 0.000 1.115 1129 N HN 0.125 nan 8.380 nan 0.000 0.492 1130 K N 0.210 120.408 120.400 -0.338 0.000 3.148 1130 K HA -0.223 4.094 4.320 -0.006 0.000 0.267 1130 K C -0.658 175.785 176.600 -0.261 0.000 0.996 1130 K CA 0.732 56.593 56.287 -0.709 0.000 0.737 1130 K CB -2.267 29.817 32.500 -0.693 0.000 1.308 1130 K HN 0.407 nan 8.250 nan 0.000 0.470 1131 F N -0.646 119.193 119.950 -0.185 0.000 2.547 1131 F HA 0.440 4.964 4.527 -0.005 0.000 0.316 1131 F C -0.356 175.443 175.800 -0.001 0.000 1.121 1131 F CA -1.027 56.927 58.000 -0.077 0.000 0.911 1131 F CB 1.559 40.468 39.000 -0.153 0.000 1.179 1131 F HN -0.166 nan 8.300 nan 0.000 0.443 1132 V N 6.871 126.347 119.914 -0.729 0.000 2.334 1132 V HA 0.125 4.241 4.120 -0.006 0.000 0.281 1132 V C 1.048 176.536 176.094 -1.011 0.000 1.016 1132 V CA -0.384 61.600 62.300 -0.526 0.000 0.832 1132 V CB 0.924 32.625 31.823 -0.202 0.000 0.999 1132 V HN 0.924 nan 8.190 nan 0.000 0.439 1133 H N 5.501 124.105 119.070 -0.777 0.000 2.265 1133 H HA -0.122 4.430 4.556 -0.006 0.000 0.295 1133 H C 1.587 176.710 175.328 -0.341 0.000 1.084 1133 H CA 2.493 58.206 56.048 -0.559 0.000 1.261 1133 H CB 0.324 29.964 29.762 -0.203 0.000 1.360 1133 H HN 0.706 nan 8.280 nan 0.000 0.487 1134 R N -0.751 119.772 120.500 0.038 0.000 3.922 1134 R HA -0.186 4.151 4.340 -0.006 0.000 0.447 1134 R C -0.410 175.988 176.300 0.163 0.000 1.035 1134 R CA 1.190 57.306 56.100 0.026 0.000 1.289 1134 R CB -1.550 28.516 30.300 -0.389 0.000 1.906 1134 R HN 0.386 nan 8.270 nan 0.000 0.540 1135 D N 0.210 120.856 120.400 0.410 0.000 3.007 1135 D HA 0.140 4.777 4.640 -0.006 0.000 0.363 1135 D C -1.095 175.331 176.300 0.210 0.000 1.474 1135 D CA -0.395 53.781 54.000 0.293 0.000 0.767 1135 D CB 0.325 41.230 40.800 0.176 0.000 1.227 1135 D HN 0.041 nan 8.370 nan 0.000 0.471 1136 L N 1.594 122.843 121.223 0.043 0.000 2.360 1136 L HA 0.707 5.043 4.340 -0.006 0.000 0.276 1136 L C -0.535 176.327 176.870 -0.013 0.000 1.121 1136 L CA 0.218 54.944 54.840 -0.191 0.000 0.845 1136 L CB 0.572 42.587 42.059 -0.073 0.000 1.143 1136 L HN 0.216 nan 8.230 nan 0.000 0.452 1137 A N 3.873 126.636 122.820 -0.095 0.000 2.608 1137 A HA 0.684 5.000 4.320 -0.006 0.000 0.292 1137 A C 0.512 178.099 177.584 0.004 0.000 1.066 1137 A CA -0.158 51.779 52.037 -0.167 0.000 0.676 1137 A CB 0.468 18.967 19.000 -0.835 0.000 1.277 1137 A HN 1.083 nan 8.150 nan 0.000 0.413 1138 A N 0.938 123.849 122.820 0.151 0.000 1.948 1138 A HA -0.195 4.121 4.320 -0.006 0.000 0.220 1138 A C 1.972 179.606 177.584 0.084 0.000 1.177 1138 A CA 2.236 54.361 52.037 0.146 0.000 0.636 1138 A CB -0.652 18.475 19.000 0.211 0.000 0.815 1138 A HN 1.209 nan 8.150 nan 0.000 0.449 1139 R N -0.820 119.697 120.500 0.028 0.000 2.193 1139 R HA -0.048 4.288 4.340 -0.006 0.000 0.229 1139 R C 0.490 176.801 176.300 0.019 0.000 1.110 1139 R CA 1.608 57.716 56.100 0.013 0.000 0.988 1139 R CB -0.437 29.836 30.300 -0.044 0.000 0.871 1139 R HN 0.363 nan 8.270 nan 0.000 0.458 1140 N N -0.011 118.696 118.700 0.010 0.000 2.268 1140 N HA 0.108 4.845 4.740 -0.006 0.000 0.204 1140 N C -0.778 174.781 175.510 0.082 0.000 1.124 1140 N CA -0.002 53.085 53.050 0.061 0.000 0.838 1140 N CB 0.473 39.013 38.487 0.088 0.000 0.994 1140 N HN 0.172 nan 8.380 nan 0.000 0.489 1141 C N 0.721 120.062 119.300 0.069 0.000 2.562 1141 C HA 0.600 5.056 4.460 -0.006 0.000 0.332 1141 C C 0.129 175.160 174.990 0.069 0.000 1.201 1141 C CA -0.836 58.227 59.018 0.075 0.000 1.803 1141 C CB 1.558 29.345 27.740 0.078 0.000 2.328 1141 C HN 0.169 nan 8.230 nan 0.000 0.500 1142 M N 1.686 121.318 119.600 0.054 0.000 2.662 1142 M HA 0.595 5.072 4.480 -0.006 0.000 0.310 1142 M C -0.868 175.431 176.300 -0.002 0.000 1.204 1142 M CA -0.585 54.731 55.300 0.028 0.000 0.891 1142 M CB 1.714 34.324 32.600 0.016 0.000 1.732 1142 M HN 0.363 nan 8.290 nan 0.000 0.467 1143 V N 1.301 121.188 119.914 -0.045 0.000 2.409 1143 V HA 0.728 4.844 4.120 -0.006 0.000 0.291 1143 V C 0.240 176.236 176.094 -0.165 0.000 1.020 1143 V CA -1.064 61.157 62.300 -0.131 0.000 0.848 1143 V CB 1.180 32.840 31.823 -0.273 0.000 0.990 1143 V HN 0.999 nan 8.190 nan 0.000 0.430 1144 A N 2.656 125.379 122.820 -0.161 0.000 2.272 1144 A HA 0.555 4.871 4.320 -0.006 0.000 0.275 1144 A C 1.215 178.624 177.584 -0.291 0.000 1.096 1144 A CA -0.120 51.817 52.037 -0.168 0.000 0.822 1144 A CB 0.368 19.303 19.000 -0.108 0.000 1.088 1144 A HN 0.884 nan 8.150 nan 0.000 0.495 1145 E N 0.341 120.396 120.200 -0.241 0.000 2.130 1145 E HA -0.212 4.135 4.350 -0.006 0.000 0.196 1145 E C 0.871 177.201 176.600 -0.450 0.000 0.998 1145 E CA 2.072 58.285 56.400 -0.311 0.000 0.806 1145 E CB -0.092 29.511 29.700 -0.162 0.000 0.738 1145 E HN 0.723 nan 8.360 nan 0.000 0.459 1146 D N -1.439 118.814 120.400 -0.245 0.000 2.336 1146 D HA -0.066 4.571 4.640 -0.006 0.000 0.228 1146 D C -0.097 176.249 176.300 0.076 0.000 1.120 1146 D CA -0.283 53.675 54.000 -0.070 0.000 0.839 1146 D CB -0.698 40.138 40.800 0.061 0.000 0.932 1146 D HN 0.239 nan 8.370 nan 0.000 0.509 1147 F N -1.242 118.671 119.950 -0.061 0.000 2.794 1147 F HA -0.242 4.281 4.527 -0.006 0.000 0.335 1147 F C 0.427 176.190 175.800 -0.061 0.000 0.653 1147 F CA 0.765 58.695 58.000 -0.117 0.000 1.266 1147 F CB -2.637 36.320 39.000 -0.071 0.000 1.666 1147 F HN -0.082 nan 8.300 nan 0.000 0.314 1148 T N 1.844 116.453 114.554 0.090 0.000 2.834 1148 T HA 0.461 4.807 4.350 -0.006 0.000 0.298 1148 T C 0.484 175.222 174.700 0.063 0.000 0.966 1148 T CA -0.220 61.954 62.100 0.123 0.000 1.141 1148 T CB 1.277 70.215 68.868 0.117 0.000 0.905 1148 T HN 0.023 nan 8.240 nan 0.000 0.535 1149 V N 5.408 125.385 119.914 0.106 0.000 2.481 1149 V HA 0.463 4.579 4.120 -0.006 0.000 0.286 1149 V C 0.253 176.413 176.094 0.111 0.000 1.042 1149 V CA -0.411 61.936 62.300 0.078 0.000 0.928 1149 V CB 1.330 33.205 31.823 0.088 0.000 0.986 1149 V HN 0.779 nan 8.190 nan 0.000 0.462 1150 K N 4.021 124.464 120.400 0.072 0.000 2.480 1150 K HA 0.624 4.941 4.320 -0.006 0.000 0.258 1150 K C -1.247 175.398 176.600 0.075 0.000 0.990 1150 K CA -0.924 55.410 56.287 0.078 0.000 0.857 1150 K CB 2.692 35.202 32.500 0.016 0.000 1.384 1150 K HN 0.420 nan 8.250 nan 0.000 0.446 1151 I N 2.132 122.756 120.570 0.090 0.000 2.396 1151 I HA 0.100 4.267 4.170 -0.006 0.000 0.289 1151 I C 0.992 177.202 176.117 0.156 0.000 1.056 1151 I CA -0.114 61.257 61.300 0.118 0.000 1.365 1151 I CB 0.766 38.837 38.000 0.120 0.000 1.407 1151 I HN 0.690 nan 8.210 nan 0.000 0.509 1152 G N 4.495 113.394 108.800 0.165 0.000 2.636 1152 G HA2 0.108 4.064 3.960 -0.006 0.000 0.246 1152 G HA3 0.108 4.064 3.960 -0.006 0.000 0.246 1152 G C -0.297 174.715 174.900 0.186 0.000 1.216 1152 G CA -0.554 44.630 45.100 0.141 0.000 0.854 1152 G HN 0.824 nan 8.290 nan 0.000 0.572 1153 D N -1.225 119.191 120.400 0.027 0.000 2.419 1153 D HA 0.377 5.014 4.640 -0.006 0.000 0.236 1153 D C 0.055 176.315 176.300 -0.067 0.000 1.165 1153 D CA 0.039 53.933 54.000 -0.178 0.000 0.882 1153 D CB 0.340 41.017 40.800 -0.206 0.000 1.201 1153 D HN 0.382 nan 8.370 nan 0.000 0.443 1154 F N -1.667 118.249 119.950 -0.055 0.000 2.726 1154 F HA 0.833 5.356 4.527 -0.005 0.000 0.324 1154 F C 0.271 176.035 175.800 -0.059 0.000 1.140 1154 F CA -1.294 56.671 58.000 -0.058 0.000 0.964 1154 F CB 0.901 39.827 39.000 -0.124 0.000 1.399 1154 F HN 0.479 nan 8.300 nan 0.000 0.491 1155 G N -0.105 108.840 108.800 0.242 0.000 2.820 1155 G HA2 0.758 4.714 3.960 -0.006 0.000 0.291 1155 G HA3 0.758 4.714 3.960 -0.006 0.000 0.291 1155 G C -1.352 173.718 174.900 0.284 0.000 1.323 1155 G CA -1.013 44.182 45.100 0.158 0.000 1.055 1155 G HN 0.664 nan 8.290 nan 0.000 0.520 1156 M N -1.415 118.302 119.600 0.196 0.000 3.053 1156 M HA 0.583 5.059 4.480 -0.006 0.000 0.281 1156 M C -0.736 175.643 176.300 0.130 0.000 1.304 1156 M CA -0.598 54.845 55.300 0.239 0.000 0.767 1156 M CB 2.410 35.164 32.600 0.258 0.000 1.730 1156 M HN 0.655 nan 8.290 nan 0.000 0.437 1166 Y N 3.060 123.322 120.300 -0.063 0.000 2.352 1166 Y HA 0.516 5.063 4.550 -0.005 0.000 0.339 1166 Y C -0.362 175.525 175.900 -0.022 0.000 0.992 1166 Y CA -0.816 57.192 58.100 -0.153 0.000 1.100 1166 Y CB 1.260 39.588 38.460 -0.220 0.000 1.192 1166 Y HN 0.138 nan 8.280 nan 0.000 0.458 1167 R N 3.196 123.748 120.500 0.087 0.000 2.643 1167 R HA 0.231 4.568 4.340 -0.006 0.000 0.270 1167 R C -0.781 175.513 176.300 -0.010 0.000 1.061 1167 R CA -0.257 55.927 56.100 0.139 0.000 1.107 1167 R CB 0.335 30.817 30.300 0.303 0.000 0.999 1167 R HN 0.364 nan 8.270 nan 0.000 0.460 1168 K N 1.138 121.515 120.400 -0.037 0.000 2.323 1168 K HA 0.395 4.711 4.320 -0.006 0.000 0.259 1168 K C 0.141 176.626 176.600 -0.191 0.000 0.947 1168 K CA -0.503 55.635 56.287 -0.249 0.000 0.819 1168 K CB 2.275 34.677 32.500 -0.162 0.000 1.109 1168 K HN 0.784 nan 8.250 nan 0.000 0.429 1169 G N 0.109 108.612 108.800 -0.495 0.000 2.582 1169 G HA2 0.556 4.513 3.960 -0.006 0.000 0.232 1169 G HA3 0.556 4.513 3.960 -0.006 0.000 0.232 1169 G C -0.058 174.750 174.900 -0.154 0.000 1.458 1169 G CA -0.136 44.917 45.100 -0.078 0.000 1.062 1169 G HN 0.742 nan 8.290 nan 0.000 0.566 1170 G N -1.249 107.480 108.800 -0.120 0.000 3.019 1170 G HA2 0.374 4.331 3.960 -0.006 0.000 0.686 1170 G HA3 0.374 4.331 3.960 -0.006 0.000 0.686 1170 G C -0.505 174.375 174.900 -0.034 0.000 1.056 1170 G CA 0.203 45.247 45.100 -0.095 0.000 0.774 1170 G HN 1.396 nan 8.290 nan 0.000 0.583 1171 K N 1.704 122.102 120.400 -0.003 0.000 2.565 1171 K HA 0.889 5.206 4.320 -0.006 0.000 0.251 1171 K C 0.530 177.137 176.600 0.011 0.000 0.956 1171 K CA 0.110 56.406 56.287 0.015 0.000 0.809 1171 K CB 1.862 34.391 32.500 0.048 0.000 1.267 1171 K HN 2.551 nan 8.250 nan 0.000 0.438 1172 G N 1.664 110.466 108.800 0.005 0.000 2.447 1172 G HA2 -0.094 3.863 3.960 -0.006 0.000 0.220 1172 G HA3 -0.094 3.863 3.960 -0.006 0.000 0.220 1172 G C -1.269 173.636 174.900 0.008 0.000 1.261 1172 G CA -0.747 44.356 45.100 0.005 0.000 1.000 1172 G HN 0.574 nan 8.290 nan 0.000 0.515 1173 L N 1.142 122.375 121.223 0.016 0.000 2.342 1173 L HA 0.383 4.719 4.340 -0.006 0.000 0.285 1173 L C 1.078 177.974 176.870 0.044 0.000 1.095 1173 L CA -0.518 54.340 54.840 0.030 0.000 0.843 1173 L CB 0.391 42.470 42.059 0.033 0.000 1.201 1173 L HN 0.381 nan 8.230 nan 0.000 0.445 1174 L N 6.021 127.276 121.223 0.054 0.000 2.540 1174 L HA 0.122 4.459 4.340 -0.006 0.000 0.276 1174 L C -1.555 175.393 176.870 0.131 0.000 1.212 1174 L CA -1.358 53.536 54.840 0.089 0.000 0.893 1174 L CB -0.035 42.095 42.059 0.118 0.000 1.138 1174 L HN 0.439 nan 8.230 nan 0.000 0.491 1175 P HA 0.085 nan 4.420 nan 0.000 0.282 1175 P C 0.858 178.369 177.300 0.351 0.000 1.274 1175 P CA -0.392 62.864 63.100 0.260 0.000 0.770 1175 P CB 1.737 33.590 31.700 0.257 0.000 0.867 1176 V N 5.137 125.201 119.914 0.250 0.000 2.324 1176 V HA -0.266 3.851 4.120 -0.006 0.000 0.250 1176 V C 2.501 178.702 176.094 0.178 0.000 1.060 1176 V CA 1.925 64.325 62.300 0.165 0.000 1.042 1176 V CB -0.920 30.945 31.823 0.070 0.000 0.650 1176 V HN 0.595 nan 8.190 nan 0.000 0.450 1177 R N -1.305 119.336 120.500 0.235 0.000 2.341 1177 R HA -0.152 4.184 4.340 -0.006 0.000 0.213 1177 R C 1.716 178.017 176.300 0.002 0.000 1.082 1177 R CA 1.257 57.400 56.100 0.071 0.000 1.017 1177 R CB -0.164 30.044 30.300 -0.152 0.000 0.860 1177 R HN 0.599 nan 8.270 nan 0.000 0.473 1178 W N -0.527 120.921 121.300 0.247 0.000 2.871 1178 W HA 0.288 4.946 4.660 -0.004 0.000 0.340 1178 W C 0.128 176.857 176.519 0.350 0.000 1.058 1178 W CA -0.583 56.954 57.345 0.319 0.000 1.633 1178 W CB 0.332 29.949 29.460 0.261 0.000 1.067 1178 W HN 0.002 nan 8.180 nan 0.000 0.554 1179 M N 1.429 121.244 119.600 0.359 0.000 2.233 1179 M HA 0.054 4.530 4.480 -0.006 0.000 0.350 1179 M C 1.143 177.228 176.300 -0.358 0.000 1.176 1179 M CA 0.439 55.794 55.300 0.091 0.000 1.150 1179 M CB 1.117 33.740 32.600 0.037 0.000 1.530 1179 M HN -0.250 nan 8.290 nan 0.000 0.459 1180 S N 2.580 117.878 115.700 -0.670 0.000 2.603 1180 S HA 0.285 4.752 4.470 -0.006 0.000 0.268 1180 S C -2.175 171.816 174.600 -1.014 0.000 1.317 1180 S CA -1.209 56.143 58.200 -1.414 0.000 1.012 1180 S CB 0.660 63.344 63.200 -0.860 0.000 0.926 1180 S HN 0.433 nan 8.310 nan 0.000 0.539 1181 P HA -0.189 nan 4.420 nan 0.000 0.215 1181 P C 1.683 178.648 177.300 -0.558 0.000 1.157 1181 P CA 1.539 64.182 63.100 -0.762 0.000 0.874 1181 P CB -0.071 31.043 31.700 -0.977 0.000 0.790 1182 E N -0.583 119.271 120.200 -0.578 0.000 2.204 1182 E HA -0.099 4.248 4.350 -0.006 0.000 0.194 1182 E C 1.659 178.015 176.600 -0.407 0.000 0.989 1182 E CA 1.372 57.527 56.400 -0.408 0.000 0.824 1182 E CB -1.101 28.393 29.700 -0.343 0.000 0.756 1182 E HN 0.159 nan 8.360 nan 0.000 0.477 1183 S N 1.126 116.500 115.700 -0.544 0.000 2.387 1183 S HA 0.041 4.508 4.470 -0.006 0.000 0.226 1183 S C 2.126 176.488 174.600 -0.396 0.000 1.026 1183 S CA 0.724 58.505 58.200 -0.697 0.000 0.972 1183 S CB -0.176 62.423 63.200 -1.003 0.000 0.814 1183 S HN 0.201 nan 8.310 nan 0.000 0.477 1184 L N 1.087 122.116 121.223 -0.324 0.000 2.072 1184 L HA -0.040 4.297 4.340 -0.006 0.000 0.205 1184 L C 2.538 179.316 176.870 -0.153 0.000 1.079 1184 L CA 1.196 55.919 54.840 -0.195 0.000 0.752 1184 L CB -0.359 41.578 42.059 -0.203 0.000 0.906 1184 L HN 0.233 nan 8.230 nan 0.000 0.436 1185 K N -0.184 120.106 120.400 -0.183 0.000 2.007 1185 K HA -0.121 4.195 4.320 -0.006 0.000 0.206 1185 K C 1.015 177.552 176.600 -0.105 0.000 1.047 1185 K CA 1.553 57.763 56.287 -0.128 0.000 0.937 1185 K CB 0.233 32.655 32.500 -0.130 0.000 0.718 1185 K HN 0.237 nan 8.250 nan 0.000 0.438 1186 D N -1.639 118.682 120.400 -0.133 0.000 2.433 1186 D HA 0.117 4.754 4.640 -0.006 0.000 0.211 1186 D C 0.462 176.712 176.300 -0.083 0.000 1.114 1186 D CA 0.662 54.605 54.000 -0.095 0.000 0.837 1186 D CB 1.229 41.974 40.800 -0.092 0.000 0.984 1186 D HN 0.485 nan 8.370 nan 0.000 0.505 1187 G N 1.443 110.169 108.800 -0.123 0.000 2.160 1187 G HA2 -0.276 3.680 3.960 -0.006 0.000 0.251 1187 G HA3 -0.276 3.680 3.960 -0.006 0.000 0.251 1187 G C 0.313 175.182 174.900 -0.051 0.000 1.008 1187 G CA 0.130 45.206 45.100 -0.040 0.000 0.724 1187 G HN 0.272 nan 8.290 nan 0.000 0.514 1188 V N 0.535 120.304 119.914 -0.243 0.000 2.406 1188 V HA 0.656 4.772 4.120 -0.006 0.000 0.272 1188 V C 0.061 175.904 176.094 -0.418 0.000 1.043 1188 V CA -0.206 61.982 62.300 -0.188 0.000 0.915 1188 V CB 0.782 32.512 31.823 -0.154 0.000 0.988 1188 V HN 0.229 nan 8.190 nan 0.000 0.466 1189 F N 3.354 123.272 119.950 -0.053 0.000 2.507 1189 F HA 0.726 5.251 4.527 -0.004 0.000 0.325 1189 F C 0.532 176.271 175.800 -0.101 0.000 1.116 1189 F CA -0.350 57.612 58.000 -0.062 0.000 0.930 1189 F CB 2.303 41.269 39.000 -0.056 0.000 1.146 1189 F HN 0.607 nan 8.300 nan 0.000 0.447 1190 T N -2.753 111.802 114.554 0.003 0.000 2.696 1190 T HA 0.206 4.552 4.350 -0.006 0.000 0.291 1190 T C 0.729 175.303 174.700 -0.210 0.000 1.095 1190 T CA -0.031 61.945 62.100 -0.207 0.000 1.026 1190 T CB 1.295 69.936 68.868 -0.378 0.000 1.390 1190 T HN 0.489 nan 8.240 nan 0.000 0.513 1191 T N -0.904 113.387 114.554 -0.438 0.000 2.788 1191 T HA -0.140 4.206 4.350 -0.006 0.000 0.268 1191 T C 1.341 175.973 174.700 -0.113 0.000 1.044 1191 T CA 1.818 63.782 62.100 -0.226 0.000 1.139 1191 T CB -0.906 67.782 68.868 -0.300 0.000 0.867 1191 T HN 0.579 nan 8.240 nan 0.000 0.454 1192 Y N 2.222 122.509 120.300 -0.022 0.000 2.224 1192 Y HA 0.012 4.558 4.550 -0.006 0.000 0.289 1192 Y C 3.134 179.069 175.900 0.058 0.000 1.146 1192 Y CA 0.886 58.971 58.100 -0.025 0.000 1.182 1192 Y CB -1.232 37.206 38.460 -0.036 0.000 0.983 1192 Y HN 0.414 nan 8.280 nan 0.000 0.524 1193 S N -0.898 114.912 115.700 0.184 0.000 2.453 1193 S HA -0.114 4.352 4.470 -0.006 0.000 0.231 1193 S C 1.402 176.193 174.600 0.318 0.000 1.005 1193 S CA 1.061 59.373 58.200 0.187 0.000 0.949 1193 S CB -0.255 62.942 63.200 -0.005 0.000 0.774 1193 S HN 0.296 nan 8.310 nan 0.000 0.510 1194 D N 1.582 122.158 120.400 0.294 0.000 2.149 1194 D HA 0.043 4.679 4.640 -0.006 0.000 0.201 1194 D C 1.988 178.600 176.300 0.520 0.000 0.972 1194 D CA 0.600 54.847 54.000 0.412 0.000 0.835 1194 D CB -0.270 40.794 40.800 0.440 0.000 0.966 1194 D HN 0.299 nan 8.370 nan 0.000 0.476 1195 V N 0.871 120.925 119.914 0.234 0.000 2.427 1195 V HA -0.171 3.946 4.120 -0.006 0.000 0.248 1195 V C 2.142 178.425 176.094 0.315 0.000 1.051 1195 V CA 1.085 63.378 62.300 -0.012 0.000 1.048 1195 V CB -0.390 31.241 31.823 -0.321 0.000 0.666 1195 V HN 0.403 nan 8.190 nan 0.000 0.456 1196 W N 1.275 122.706 121.300 0.218 0.000 2.333 1196 W HA -0.226 4.430 4.660 -0.007 0.000 0.316 1196 W C 2.475 179.255 176.519 0.435 0.000 1.215 1196 W CA 2.209 59.752 57.345 0.329 0.000 1.278 1196 W CB -0.682 28.919 29.460 0.235 0.000 1.154 1196 W HN 0.329 nan 8.180 nan 0.000 0.486 1197 S N 0.868 117.005 115.700 0.728 0.000 2.400 1197 S HA -0.245 4.221 4.470 -0.006 0.000 0.232 1197 S C 1.525 176.444 174.600 0.531 0.000 1.025 1197 S CA 1.645 60.240 58.200 0.658 0.000 0.993 1197 S CB -1.033 62.519 63.200 0.586 0.000 0.808 1197 S HN 0.356 nan 8.310 nan 0.000 0.478 1198 F N 2.642 122.802 119.950 0.349 0.000 2.134 1198 F HA -0.014 4.509 4.527 -0.006 0.000 0.299 1198 F C 2.287 178.180 175.800 0.156 0.000 1.097 1198 F CA 1.290 59.460 58.000 0.284 0.000 1.264 1198 F CB -1.024 38.209 39.000 0.388 0.000 1.001 1198 F HN 0.210 nan 8.300 nan 0.000 0.479 1199 G N -0.144 108.661 108.800 0.009 0.000 2.432 1199 G HA2 -0.202 3.755 3.960 -0.006 0.000 0.219 1199 G HA3 -0.202 3.755 3.960 -0.006 0.000 0.219 1199 G C 1.687 176.584 174.900 -0.006 0.000 1.135 1199 G CA 1.181 46.059 45.100 -0.370 0.000 0.767 1199 G HN 0.362 nan 8.290 nan 0.000 0.550 1200 V N 1.117 121.209 119.914 0.297 0.000 2.427 1200 V HA -0.154 3.962 4.120 -0.006 0.000 0.248 1200 V C 3.111 179.390 176.094 0.308 0.000 1.051 1200 V CA 1.628 64.106 62.300 0.297 0.000 1.048 1200 V CB -0.129 31.729 31.823 0.059 0.000 0.666 1200 V HN 0.416 nan 8.190 nan 0.000 0.456 1201 V N -1.826 118.243 119.914 0.258 0.000 2.548 1201 V HA -0.111 4.006 4.120 -0.006 0.000 0.249 1201 V C 2.130 178.265 176.094 0.068 0.000 1.055 1201 V CA 1.504 63.943 62.300 0.230 0.000 1.065 1201 V CB -0.681 31.246 31.823 0.173 0.000 0.681 1201 V HN 0.438 nan 8.190 nan 0.000 0.462 1202 L N -1.440 119.714 121.223 -0.116 0.000 2.083 1202 L HA -0.096 4.241 4.340 -0.006 0.000 0.209 1202 L C 2.419 179.300 176.870 0.018 0.000 1.083 1202 L CA 2.388 57.127 54.840 -0.168 0.000 0.752 1202 L CB -0.530 41.325 42.059 -0.340 0.000 0.899 1202 L HN 0.582 nan 8.230 nan 0.000 0.433 1203 W N 1.118 122.388 121.300 -0.049 0.000 2.436 1203 W HA -0.131 4.528 4.660 -0.003 0.000 0.284 1203 W C 2.346 178.874 176.519 0.016 0.000 1.225 1203 W CA 1.125 58.489 57.345 0.032 0.000 1.271 1203 W CB 0.170 29.721 29.460 0.150 0.000 1.114 1203 W HN 0.075 nan 8.180 nan 0.000 0.559 1204 E N 0.260 120.671 120.200 0.351 0.000 2.047 1204 E HA -0.229 4.118 4.350 -0.006 0.000 0.191 1204 E C 2.120 178.734 176.600 0.023 0.000 0.987 1204 E CA 1.743 58.289 56.400 0.243 0.000 0.799 1204 E CB -0.428 29.483 29.700 0.352 0.000 0.752 1204 E HN 0.323 nan 8.360 nan 0.000 0.449 1205 I N 1.261 121.847 120.570 0.027 0.000 2.099 1205 I HA -0.309 3.858 4.170 -0.006 0.000 0.239 1205 I C 2.559 178.613 176.117 -0.104 0.000 1.066 1205 I CA 1.203 62.493 61.300 -0.016 0.000 1.324 1205 I CB -0.413 37.581 38.000 -0.011 0.000 1.037 1205 I HN 0.087 nan 8.210 nan 0.000 0.401 1206 A N 0.252 122.976 122.820 -0.160 0.000 2.076 1206 A HA -0.191 4.125 4.320 -0.006 0.000 0.220 1206 A C 2.050 179.428 177.584 -0.343 0.000 1.160 1206 A CA 2.192 54.089 52.037 -0.233 0.000 0.653 1206 A CB -0.942 17.911 19.000 -0.246 0.000 0.801 1206 A HN 0.592 nan 8.150 nan 0.000 0.455 1207 T N -3.763 110.522 114.554 -0.447 0.000 3.129 1207 T HA 0.479 4.825 4.350 -0.006 0.000 0.267 1207 T C 0.447 174.990 174.700 -0.262 0.000 1.018 1207 T CA 0.061 61.871 62.100 -0.482 0.000 0.903 1207 T CB -0.487 67.840 68.868 -0.902 0.000 1.067 1207 T HN 0.529 nan 8.240 nan 0.000 0.549 1208 L N 0.665 121.781 121.223 -0.177 0.000 3.678 1208 L HA -0.256 4.081 4.340 -0.006 0.000 0.425 1208 L C 0.842 177.676 176.870 -0.060 0.000 1.240 1208 L CA 0.193 54.967 54.840 -0.110 0.000 0.876 1208 L CB -2.381 39.609 42.059 -0.114 0.000 1.766 1208 L HN 0.826 nan 8.230 nan 0.000 0.917 1209 A N -0.711 122.094 122.820 -0.024 0.000 2.648 1209 A HA -0.181 4.135 4.320 -0.006 0.000 0.297 1209 A C 0.681 178.327 177.584 0.102 0.000 1.467 1209 A CA 1.573 53.659 52.037 0.082 0.000 0.731 1209 A CB -1.102 17.962 19.000 0.107 0.000 1.085 1209 A HN 0.673 nan 8.150 nan 0.000 0.437 1210 E N -0.220 120.023 120.200 0.071 0.000 2.312 1210 E HA 0.335 4.681 4.350 -0.006 0.000 0.259 1210 E C 0.501 177.294 176.600 0.323 0.000 1.122 1210 E CA -0.654 55.827 56.400 0.136 0.000 0.922 1210 E CB 0.558 30.294 29.700 0.059 0.000 1.109 1210 E HN 0.657 nan 8.360 nan 0.000 0.442 1211 Q N 1.753 121.704 119.800 0.252 0.000 2.288 1211 Q HA 0.170 4.506 4.340 -0.006 0.000 0.258 1211 Q C -2.355 173.691 176.000 0.077 0.000 0.957 1211 Q CA -1.902 54.019 55.803 0.196 0.000 0.919 1211 Q CB 0.669 29.492 28.738 0.142 0.000 1.185 1211 Q HN 0.061 nan 8.270 nan 0.000 0.408 1212 P HA -0.064 nan 4.420 nan 0.000 0.268 1212 P C -1.355 175.649 177.300 -0.494 0.000 1.204 1212 P CA 0.405 62.986 63.100 -0.865 0.000 0.768 1212 P CB 0.134 31.182 31.700 -1.087 0.000 0.842 1213 Y N -0.581 119.462 120.300 -0.430 0.000 3.825 1213 Y HA -0.263 4.285 4.550 -0.003 0.000 0.221 1213 Y C 0.910 176.713 175.900 -0.162 0.000 1.195 1213 Y CA 0.413 58.346 58.100 -0.278 0.000 1.699 1213 Y CB -2.732 35.572 38.460 -0.260 0.000 1.531 1213 Y HN 0.447 nan 8.280 nan 0.000 0.640 1214 Q N 0.788 120.579 119.800 -0.016 0.000 2.269 1214 Q HA 0.286 4.623 4.340 -0.006 0.000 0.300 1214 Q C 1.462 177.468 176.000 0.010 0.000 1.070 1214 Q CA 1.543 57.364 55.803 0.030 0.000 0.957 1214 Q CB 0.302 29.082 28.738 0.069 0.000 1.131 1214 Q HN 0.800 nan 8.270 nan 0.000 0.377 1215 G N 3.124 111.930 108.800 0.010 0.000 2.284 1215 G HA2 -0.224 3.732 3.960 -0.006 0.000 0.216 1215 G HA3 -0.224 3.732 3.960 -0.006 0.000 0.216 1215 G C -0.122 174.763 174.900 -0.024 0.000 1.009 1215 G CA -0.046 45.050 45.100 -0.008 0.000 0.625 1215 G HN 0.538 nan 8.290 nan 0.000 0.501 1216 L N 2.237 123.440 121.223 -0.034 0.000 2.343 1216 L HA 0.637 4.973 4.340 -0.006 0.000 0.275 1216 L C 1.284 178.136 176.870 -0.029 0.000 1.056 1216 L CA -0.287 54.519 54.840 -0.057 0.000 0.804 1216 L CB 1.723 43.712 42.059 -0.116 0.000 1.203 1216 L HN 0.446 nan 8.230 nan 0.000 0.440 1217 S N 0.566 116.247 115.700 -0.031 0.000 2.603 1217 S HA 0.150 4.616 4.470 -0.006 0.000 0.268 1217 S C 0.812 175.399 174.600 -0.021 0.000 1.317 1217 S CA -0.733 57.460 58.200 -0.012 0.000 1.012 1217 S CB 0.969 64.164 63.200 -0.010 0.000 0.926 1217 S HN 0.617 nan 8.310 nan 0.000 0.539 1218 N N 1.150 119.850 118.700 0.001 0.000 2.149 1218 N HA -0.158 4.579 4.740 -0.006 0.000 0.188 1218 N C 1.626 177.120 175.510 -0.026 0.000 1.019 1218 N CA 1.203 54.250 53.050 -0.004 0.000 0.857 1218 N CB -0.371 38.137 38.487 0.035 0.000 0.997 1218 N HN 0.783 nan 8.380 nan 0.000 0.426 1219 E N 1.675 121.865 120.200 -0.016 0.000 2.077 1219 E HA -0.181 4.165 4.350 -0.006 0.000 0.193 1219 E C 1.517 178.099 176.600 -0.030 0.000 0.989 1219 E CA 1.298 57.687 56.400 -0.019 0.000 0.800 1219 E CB 0.062 29.756 29.700 -0.010 0.000 0.746 1219 E HN 0.500 nan 8.360 nan 0.000 0.452 1220 Q N -0.300 119.477 119.800 -0.039 0.000 2.187 1220 Q HA -0.033 4.304 4.340 -0.006 0.000 0.199 1220 Q C 2.355 178.321 176.000 -0.056 0.000 0.957 1220 Q CA 1.030 56.807 55.803 -0.043 0.000 0.857 1220 Q CB 0.206 28.909 28.738 -0.059 0.000 0.929 1220 Q HN 0.128 nan 8.270 nan 0.000 0.453 1221 V N 1.460 121.308 119.914 -0.111 0.000 2.358 1221 V HA -0.227 3.890 4.120 -0.006 0.000 0.246 1221 V C 2.155 178.150 176.094 -0.165 0.000 1.047 1221 V CA 1.103 63.272 62.300 -0.218 0.000 1.035 1221 V CB -0.545 31.073 31.823 -0.342 0.000 0.658 1221 V HN 0.419 nan 8.190 nan 0.000 0.452 1222 L N 0.587 121.744 121.223 -0.111 0.000 1.997 1222 L HA -0.245 4.091 4.340 -0.006 0.000 0.216 1222 L C 2.611 179.436 176.870 -0.076 0.000 1.074 1222 L CA 2.289 57.073 54.840 -0.093 0.000 0.763 1222 L CB -0.947 41.078 42.059 -0.056 0.000 0.890 1222 L HN 0.280 nan 8.230 nan 0.000 0.434 1223 R N -1.663 118.816 120.500 -0.034 0.000 2.066 1223 R HA -0.187 4.149 4.340 -0.006 0.000 0.232 1223 R C 2.138 178.450 176.300 0.020 0.000 1.131 1223 R CA 1.560 57.654 56.100 -0.010 0.000 0.955 1223 R CB -0.597 29.707 30.300 0.007 0.000 0.851 1223 R HN 0.330 nan 8.270 nan 0.000 0.432 1224 F N 1.074 120.949 119.950 -0.125 0.000 2.043 1224 F HA -0.282 4.236 4.527 -0.015 0.000 0.297 1224 F C 1.990 177.726 175.800 -0.107 0.000 1.121 1224 F CA 1.665 59.595 58.000 -0.117 0.000 1.199 1224 F CB -0.658 38.247 39.000 -0.160 0.000 0.968 1224 F HN -0.252 nan 8.300 nan 0.000 0.478 1225 V N 0.708 120.508 119.914 -0.190 0.000 2.332 1225 V HA -0.370 3.746 4.120 -0.006 0.000 0.248 1225 V C 2.541 178.540 176.094 -0.159 0.000 1.055 1225 V CA 2.337 64.484 62.300 -0.254 0.000 1.038 1225 V CB -0.670 31.006 31.823 -0.244 0.000 0.651 1225 V HN 0.440 nan 8.190 nan 0.000 0.450 1226 M N -0.854 118.673 119.600 -0.122 0.000 2.374 1226 M HA -0.147 4.329 4.480 -0.006 0.000 0.264 1226 M C 1.708 178.032 176.300 0.040 0.000 1.067 1226 M CA 1.421 56.701 55.300 -0.033 0.000 1.103 1226 M CB -0.229 32.335 32.600 -0.059 0.000 1.402 1226 M HN 0.368 nan 8.290 nan 0.000 0.444 1227 E N -0.641 119.512 120.200 -0.078 0.000 2.437 1227 E HA 0.108 4.455 4.350 -0.006 0.000 0.189 1227 E C 0.999 177.462 176.600 -0.227 0.000 1.054 1227 E CA 0.241 56.557 56.400 -0.139 0.000 0.874 1227 E CB 0.223 29.854 29.700 -0.115 0.000 1.011 1227 E HN 0.634 nan 8.360 nan 0.000 0.474 1228 G N 0.828 109.526 108.800 -0.169 0.000 2.175 1228 G HA2 -0.245 3.712 3.960 -0.006 0.000 0.244 1228 G HA3 -0.245 3.712 3.960 -0.006 0.000 0.244 1228 G C 0.537 175.273 174.900 -0.273 0.000 0.982 1228 G CA -0.283 44.717 45.100 -0.167 0.000 0.641 1228 G HN 0.471 nan 8.290 nan 0.000 0.527 1229 G N -0.392 108.011 108.800 -0.660 0.000 2.491 1229 G HA2 0.583 4.540 3.960 -0.006 0.000 0.242 1229 G HA3 0.583 4.540 3.960 -0.006 0.000 0.242 1229 G C 0.011 174.483 174.900 -0.712 0.000 1.266 1229 G CA 0.045 44.301 45.100 -1.406 0.000 0.844 1229 G HN 0.767 nan 8.290 nan 0.000 0.571 1230 L N 0.188 121.248 121.223 -0.272 0.000 2.341 1230 L HA 0.459 4.796 4.340 -0.006 0.000 0.254 1230 L C -0.047 176.867 176.870 0.073 0.000 1.040 1230 L CA -1.056 53.732 54.840 -0.086 0.000 0.837 1230 L CB 1.957 43.984 42.059 -0.054 0.000 1.425 1230 L HN 0.311 nan 8.230 nan 0.000 0.414 1231 L N 0.715 121.692 121.223 -0.410 0.000 2.452 1231 L HA 0.167 4.503 4.340 -0.006 0.000 0.267 1231 L C -0.342 176.579 176.870 0.085 0.000 1.188 1231 L CA -0.286 54.275 54.840 -0.465 0.000 0.821 1231 L CB 0.428 41.756 42.059 -1.219 0.000 1.102 1231 L HN 0.465 nan 8.230 nan 0.000 0.470 1232 D N 1.466 121.960 120.400 0.157 0.000 2.362 1232 D HA 0.064 4.700 4.640 -0.006 0.000 0.242 1232 D C 0.032 176.486 176.300 0.256 0.000 1.132 1232 D CA -0.159 53.974 54.000 0.222 0.000 0.907 1232 D CB 0.722 41.605 40.800 0.138 0.000 1.195 1232 D HN 0.249 nan 8.370 nan 0.000 0.429 1233 K N 2.152 122.443 120.400 -0.182 0.000 2.378 1233 K HA 0.167 4.484 4.320 -0.006 0.000 0.288 1233 K C -2.338 174.080 176.600 -0.304 0.000 1.057 1233 K CA -1.215 54.637 56.287 -0.726 0.000 0.971 1233 K CB 0.262 31.951 32.500 -1.351 0.000 0.975 1233 K HN 0.085 nan 8.250 nan 0.000 0.475 1234 P HA -0.099 nan 4.420 nan 0.000 0.266 1234 P C 0.010 177.181 177.300 -0.216 0.000 1.186 1234 P CA -0.114 62.825 63.100 -0.270 0.000 0.767 1234 P CB 0.535 31.996 31.700 -0.398 0.000 0.820 1235 D N 1.591 121.886 120.400 -0.175 0.000 2.268 1235 D HA -0.223 4.413 4.640 -0.006 0.000 0.189 1235 D C 0.293 176.518 176.300 -0.125 0.000 1.010 1235 D CA 1.931 55.852 54.000 -0.132 0.000 0.862 1235 D CB -0.436 40.297 40.800 -0.113 0.000 0.943 1235 D HN 0.498 nan 8.370 nan 0.000 0.451 1236 N N -1.037 117.586 118.700 -0.129 0.000 2.497 1236 N HA 0.137 4.873 4.740 -0.006 0.000 0.284 1236 N C -0.885 174.560 175.510 -0.108 0.000 1.459 1236 N CA -0.238 52.749 53.050 -0.105 0.000 0.899 1236 N CB 0.877 39.312 38.487 -0.086 0.000 1.316 1236 N HN 0.075 nan 8.380 nan 0.000 0.500 1237 C N 1.935 121.154 119.300 -0.135 0.000 2.648 1237 C HA 0.256 4.713 4.460 -0.006 0.000 0.419 1237 C C -1.882 173.070 174.990 -0.064 0.000 1.352 1237 C CA -1.302 57.648 59.018 -0.114 0.000 1.816 1237 C CB -0.253 27.402 27.740 -0.141 0.000 2.598 1237 C HN 0.346 nan 8.230 nan 0.000 0.598 1238 P HA 0.102 nan 4.420 nan 0.000 0.265 1238 P C 0.340 177.655 177.300 0.026 0.000 1.193 1238 P CA 0.373 63.465 63.100 -0.014 0.000 0.765 1238 P CB 0.538 32.226 31.700 -0.019 0.000 0.823 1239 D N 2.244 122.662 120.400 0.031 0.000 2.116 1239 D HA -0.201 4.435 4.640 -0.006 0.000 0.193 1239 D C 1.644 177.991 176.300 0.078 0.000 0.998 1239 D CA 1.388 55.432 54.000 0.074 0.000 0.836 1239 D CB -0.454 40.375 40.800 0.048 0.000 0.951 1239 D HN 0.361 nan 8.370 nan 0.000 0.449 1240 M N 0.141 119.759 119.600 0.030 0.000 2.108 1240 M HA -0.155 4.321 4.480 -0.006 0.000 0.261 1240 M C 1.950 178.246 176.300 -0.007 0.000 1.066 1240 M CA 1.137 56.440 55.300 0.004 0.000 1.107 1240 M CB -0.396 32.199 32.600 -0.009 0.000 1.356 1240 M HN 0.066 nan 8.290 nan 0.000 0.406 1241 L N 0.437 121.664 121.223 0.006 0.000 2.046 1241 L HA -0.162 4.175 4.340 -0.006 0.000 0.208 1241 L C 2.232 179.104 176.870 0.003 0.000 1.077 1241 L CA 1.765 56.598 54.840 -0.011 0.000 0.747 1241 L CB -1.262 40.791 42.059 -0.010 0.000 0.896 1241 L HN 0.365 nan 8.230 nan 0.000 0.432 1242 F N 0.096 119.989 119.950 -0.095 0.000 2.365 1242 F HA -0.120 4.402 4.527 -0.008 0.000 0.300 1242 F C 2.292 178.019 175.800 -0.122 0.000 1.090 1242 F CA 1.031 58.973 58.000 -0.096 0.000 1.408 1242 F CB -0.143 38.837 39.000 -0.032 0.000 1.060 1242 F HN 0.179 nan 8.300 nan 0.000 0.534 1243 E N 0.524 120.635 120.200 -0.147 0.000 2.051 1243 E HA -0.220 4.127 4.350 -0.006 0.000 0.192 1243 E C 2.548 178.971 176.600 -0.296 0.000 0.991 1243 E CA 1.202 57.472 56.400 -0.217 0.000 0.799 1243 E CB -0.907 28.734 29.700 -0.098 0.000 0.748 1243 E HN 0.425 nan 8.360 nan 0.000 0.449 1244 L N 0.364 121.443 121.223 -0.239 0.000 1.971 1244 L HA -0.252 4.085 4.340 -0.006 0.000 0.215 1244 L C 2.750 179.352 176.870 -0.447 0.000 1.072 1244 L CA 1.363 56.057 54.840 -0.243 0.000 0.758 1244 L CB -0.340 41.630 42.059 -0.148 0.000 0.889 1244 L HN 0.190 nan 8.230 nan 0.000 0.433 1245 M N -1.103 118.115 119.600 -0.637 0.000 2.110 1245 M HA -0.339 4.138 4.480 -0.006 0.000 0.257 1245 M C 2.392 177.882 176.300 -1.351 0.000 1.071 1245 M CA 1.963 56.516 55.300 -1.245 0.000 1.096 1245 M CB -0.599 31.275 32.600 -1.210 0.000 1.300 1245 M HN 0.146 nan 8.290 nan 0.000 0.411 1246 R N -0.366 119.582 120.500 -0.921 0.000 2.127 1246 R HA -0.136 4.200 4.340 -0.006 0.000 0.238 1246 R C 2.104 178.215 176.300 -0.315 0.000 1.134 1246 R CA 1.565 57.356 56.100 -0.514 0.000 0.975 1246 R CB -0.296 29.699 30.300 -0.508 0.000 0.865 1246 R HN 0.443 nan 8.270 nan 0.000 0.447 1247 M N -0.872 118.526 119.600 -0.337 0.000 2.156 1247 M HA -0.164 4.312 4.480 -0.006 0.000 0.264 1247 M C 2.273 178.462 176.300 -0.184 0.000 1.067 1247 M CA 1.266 56.444 55.300 -0.203 0.000 1.131 1247 M CB 0.009 32.504 32.600 -0.176 0.000 1.368 1247 M HN 0.221 nan 8.290 nan 0.000 0.416 1248 C N -0.883 118.225 119.300 -0.319 0.000 2.437 1248 C HA -0.111 4.345 4.460 -0.006 0.000 0.283 1248 C C 1.385 176.298 174.990 -0.130 0.000 1.424 1248 C CA 0.131 59.000 59.018 -0.248 0.000 1.782 1248 C CB -1.192 26.339 27.740 -0.348 0.000 1.833 1248 C HN 0.645 nan 8.230 nan 0.000 0.532 1249 W N 0.666 121.795 121.300 -0.284 0.000 3.194 1249 W HA 0.299 4.958 4.660 -0.001 0.000 0.408 1249 W C 0.416 176.957 176.519 0.037 0.000 1.072 1249 W CA -0.683 56.416 57.345 -0.410 0.000 1.953 1249 W CB -1.016 28.042 29.460 -0.670 0.000 1.091 1249 W HN 0.333 nan 8.180 nan 0.000 0.699 1250 Q N 0.316 120.262 119.800 0.245 0.000 2.300 1250 Q HA -0.113 4.224 4.340 -0.006 0.000 0.280 1250 Q C 1.059 177.246 176.000 0.312 0.000 1.033 1250 Q CA 0.216 56.146 55.803 0.212 0.000 0.903 1250 Q CB 0.675 29.470 28.738 0.093 0.000 1.195 1250 Q HN 0.316 nan 8.270 nan 0.000 0.386 1251 Y N 3.228 123.632 120.300 0.174 0.000 2.165 1251 Y HA -0.264 4.284 4.550 -0.004 0.000 0.286 1251 Y C 0.969 176.892 175.900 0.039 0.000 1.155 1251 Y CA 1.752 59.920 58.100 0.114 0.000 1.164 1251 Y CB 0.223 38.703 38.460 0.033 0.000 0.978 1251 Y HN 0.633 nan 8.280 nan 0.000 0.513 1252 N N 0.907 119.688 118.700 0.134 0.000 2.411 1252 N HA 0.097 4.833 4.740 -0.006 0.000 0.259 1252 N C -2.160 173.311 175.510 -0.064 0.000 1.103 1252 N CA -2.072 50.986 53.050 0.013 0.000 0.954 1252 N CB 1.252 39.757 38.487 0.030 0.000 1.085 1252 N HN -0.044 nan 8.380 nan 0.000 0.485 1253 P HA -0.216 nan 4.420 nan 0.000 0.216 1253 P C 0.732 177.734 177.300 -0.496 0.000 1.154 1253 P CA 1.590 64.568 63.100 -0.204 0.000 0.865 1253 P CB 0.252 31.878 31.700 -0.123 0.000 0.789 1254 K N -1.664 118.439 120.400 -0.496 0.000 2.280 1254 K HA -0.048 4.268 4.320 -0.006 0.000 0.202 1254 K C 1.820 178.249 176.600 -0.284 0.000 1.047 1254 K CA 1.110 57.093 56.287 -0.507 0.000 0.942 1254 K CB -0.733 31.591 32.500 -0.294 0.000 0.739 1254 K HN 0.213 nan 8.250 nan 0.000 0.457 1255 M N 0.655 120.147 119.600 -0.180 0.000 2.254 1255 M HA -0.037 4.439 4.480 -0.006 0.000 0.265 1255 M C 0.359 176.606 176.300 -0.088 0.000 1.066 1255 M CA 0.987 56.230 55.300 -0.095 0.000 1.123 1255 M CB -0.067 32.513 32.600 -0.035 0.000 1.388 1255 M HN -0.075 nan 8.290 nan 0.000 0.425 1256 R N 1.235 121.675 120.500 -0.099 0.000 2.594 1256 R HA 0.201 4.538 4.340 -0.006 0.000 0.272 1256 R C -2.161 174.085 176.300 -0.090 0.000 1.074 1256 R CA -1.358 54.701 56.100 -0.068 0.000 1.105 1256 R CB -0.547 29.747 30.300 -0.009 0.000 1.008 1256 R HN 0.132 nan 8.270 nan 0.000 0.472 1257 P HA 0.037 nan 4.420 nan 0.000 0.276 1257 P C -0.688 176.526 177.300 -0.143 0.000 1.252 1257 P CA -0.462 62.580 63.100 -0.097 0.000 0.802 1257 P CB 1.204 32.844 31.700 -0.099 0.000 1.035 1258 S N 0.057 115.700 115.700 -0.096 0.000 2.669 1258 S HA 0.270 4.736 4.470 -0.006 0.000 0.270 1258 S C 1.053 175.531 174.600 -0.203 0.000 1.225 1258 S CA -0.400 57.727 58.200 -0.122 0.000 0.991 1258 S CB -0.047 63.178 63.200 0.043 0.000 0.987 1258 S HN 0.227 nan 8.310 nan 0.000 0.552 1259 F N 0.141 120.070 119.950 -0.035 0.000 2.216 1259 F HA 0.079 4.603 4.527 -0.006 0.000 0.300 1259 F C 1.989 177.773 175.800 -0.027 0.000 1.085 1259 F CA 0.842 58.767 58.000 -0.125 0.000 1.326 1259 F CB -0.686 38.240 39.000 -0.123 0.000 1.027 1259 F HN 0.428 nan 8.300 nan 0.000 0.497 1260 L N -0.509 120.860 121.223 0.245 0.000 2.109 1260 L HA -0.166 4.171 4.340 -0.006 0.000 0.207 1260 L C 2.233 179.202 176.870 0.166 0.000 1.086 1260 L CA 1.324 56.332 54.840 0.281 0.000 0.760 1260 L CB -0.559 41.679 42.059 0.297 0.000 0.910 1260 L HN 0.148 nan 8.230 nan 0.000 0.437 1261 E N -0.008 120.242 120.200 0.084 0.000 2.107 1261 E HA -0.175 4.171 4.350 -0.006 0.000 0.191 1261 E C 2.259 178.846 176.600 -0.022 0.000 0.982 1261 E CA 0.761 57.181 56.400 0.032 0.000 0.809 1261 E CB 0.139 29.843 29.700 0.007 0.000 0.756 1261 E HN 0.349 nan 8.360 nan 0.000 0.459 1262 I N 1.241 121.779 120.570 -0.053 0.000 2.142 1262 I HA -0.274 3.893 4.170 -0.006 0.000 0.240 1262 I C 2.447 178.512 176.117 -0.088 0.000 1.078 1262 I CA 1.431 62.688 61.300 -0.070 0.000 1.343 1262 I CB -0.861 37.071 38.000 -0.113 0.000 1.046 1262 I HN 0.152 nan 8.210 nan 0.000 0.405 1263 I N 0.304 120.798 120.570 -0.127 0.000 2.127 1263 I HA -0.338 3.829 4.170 -0.006 0.000 0.241 1263 I C 2.851 178.734 176.117 -0.390 0.000 1.075 1263 I CA 1.630 62.754 61.300 -0.294 0.000 1.334 1263 I CB -0.522 37.226 38.000 -0.420 0.000 1.040 1263 I HN 0.216 nan 8.210 nan 0.000 0.405 1264 S N 0.748 116.259 115.700 -0.315 0.000 2.380 1264 S HA -0.271 4.195 4.470 -0.006 0.000 0.229 1264 S C 2.142 176.694 174.600 -0.079 0.000 1.043 1264 S CA 2.322 60.440 58.200 -0.137 0.000 1.038 1264 S CB -0.457 62.788 63.200 0.075 0.000 0.872 1264 S HN 0.623 nan 8.310 nan 0.000 0.456 1265 S N 0.695 116.353 115.700 -0.070 0.000 2.561 1265 S HA 0.105 4.571 4.470 -0.006 0.000 0.225 1265 S C 1.424 175.988 174.600 -0.060 0.000 0.977 1265 S CA 0.595 58.767 58.200 -0.047 0.000 0.926 1265 S CB -0.669 62.508 63.200 -0.039 0.000 0.769 1265 S HN 0.846 nan 8.310 nan 0.000 0.533 1266 I N -2.323 118.186 120.570 -0.102 0.000 4.442 1266 I HA 0.341 4.507 4.170 -0.006 0.000 0.331 1266 I C 1.579 177.611 176.117 -0.142 0.000 1.364 1266 I CA -0.536 60.701 61.300 -0.105 0.000 1.207 1266 I CB 0.048 37.985 38.000 -0.104 0.000 1.298 1266 I HN 0.081 nan 8.210 nan 0.000 0.463 1267 K N 1.425 121.727 120.400 -0.164 0.000 2.127 1267 K HA -0.197 4.119 4.320 -0.006 0.000 0.208 1267 K C 1.405 178.005 176.600 -0.000 0.000 1.047 1267 K CA 2.018 58.229 56.287 -0.127 0.000 0.927 1267 K CB -0.401 32.070 32.500 -0.047 0.000 0.716 1267 K HN 0.204 nan 8.250 nan 0.000 0.450 1268 E N 1.258 121.471 120.200 0.022 0.000 2.204 1268 E HA -0.101 4.246 4.350 -0.006 0.000 0.195 1268 E C 0.998 177.602 176.600 0.008 0.000 0.990 1268 E CA 1.109 57.533 56.400 0.041 0.000 0.821 1268 E CB 0.050 29.772 29.700 0.038 0.000 0.750 1268 E HN 0.479 nan 8.360 nan 0.000 0.477 1269 E N -0.525 119.656 120.200 -0.032 0.000 2.437 1269 E HA 0.036 4.382 4.350 -0.006 0.000 0.189 1269 E C 0.046 176.606 176.600 -0.066 0.000 1.054 1269 E CA -0.144 56.232 56.400 -0.040 0.000 0.874 1269 E CB 0.215 29.887 29.700 -0.046 0.000 1.011 1269 E HN 0.160 nan 8.360 nan 0.000 0.474 1270 M N 0.842 120.390 119.600 -0.086 0.000 2.371 1270 M HA 0.224 4.701 4.480 -0.006 0.000 0.301 1270 M C 0.589 176.889 176.300 -0.000 0.000 1.173 1270 M CA -0.336 54.884 55.300 -0.133 0.000 1.020 1270 M CB 0.610 32.996 32.600 -0.356 0.000 1.490 1270 M HN -0.081 nan 8.290 nan 0.000 0.485 1271 E N 1.062 121.289 120.200 0.046 0.000 2.391 1271 E HA 0.054 4.400 4.350 -0.006 0.000 0.255 1271 E C -1.542 175.146 176.600 0.146 0.000 1.187 1271 E CA -1.360 55.098 56.400 0.097 0.000 0.941 1271 E CB 0.176 29.947 29.700 0.119 0.000 1.010 1271 E HN 0.373 nan 8.360 nan 0.000 0.458 1272 P HA -0.107 nan 4.420 nan 0.000 0.217 1272 P C 1.155 178.519 177.300 0.107 0.000 1.150 1272 P CA 1.154 64.309 63.100 0.091 0.000 0.832 1272 P CB 0.095 31.827 31.700 0.054 0.000 0.787 1273 G N -1.179 107.695 108.800 0.124 0.000 2.471 1273 G HA2 -0.268 3.689 3.960 -0.006 0.000 0.219 1273 G HA3 -0.268 3.689 3.960 -0.006 0.000 0.219 1273 G C 1.318 176.311 174.900 0.155 0.000 1.125 1273 G CA -0.007 45.156 45.100 0.104 0.000 0.775 1273 G HN 0.145 nan 8.290 nan 0.000 0.548 1274 F N 1.691 121.711 119.950 0.117 0.000 2.087 1274 F HA -0.202 4.322 4.527 -0.006 0.000 0.299 1274 F C 2.609 178.556 175.800 0.244 0.000 1.100 1274 F CA 2.062 60.187 58.000 0.209 0.000 1.226 1274 F CB -0.141 38.994 39.000 0.225 0.000 0.983 1274 F HN 0.155 nan 8.300 nan 0.000 0.479 1275 R N 0.123 120.698 120.500 0.123 0.000 2.159 1275 R HA -0.163 4.173 4.340 -0.006 0.000 0.237 1275 R C 1.943 178.175 176.300 -0.112 0.000 1.131 1275 R CA 1.712 57.729 56.100 -0.139 0.000 0.982 1275 R CB -0.218 29.828 30.300 -0.425 0.000 0.868 1275 R HN 0.317 nan 8.270 nan 0.000 0.453 1276 E N -0.097 120.051 120.200 -0.086 0.000 2.112 1276 E HA -0.096 4.250 4.350 -0.006 0.000 0.190 1276 E C 1.944 178.466 176.600 -0.129 0.000 0.979 1276 E CA 1.440 57.782 56.400 -0.095 0.000 0.814 1276 E CB 0.086 29.736 29.700 -0.083 0.000 0.762 1276 E HN 0.432 nan 8.360 nan 0.000 0.460 1277 V N -0.738 119.069 119.914 -0.178 0.000 3.644 1277 V HA 0.168 4.285 4.120 -0.006 0.000 0.267 1277 V C 1.099 177.099 176.094 -0.157 0.000 1.277 1277 V CA 0.135 62.269 62.300 -0.276 0.000 1.096 1277 V CB -0.129 31.318 31.823 -0.627 0.000 0.828 1277 V HN 0.057 nan 8.190 nan 0.000 0.446 1278 S N 0.139 115.721 115.700 -0.197 0.000 2.576 1278 S HA 0.294 4.761 4.470 -0.006 0.000 0.276 1278 S C 0.618 175.242 174.600 0.041 0.000 1.339 1278 S CA 0.064 58.158 58.200 -0.176 0.000 1.039 1278 S CB 0.840 63.431 63.200 -1.015 0.000 0.902 1278 S HN 0.478 nan 8.310 nan 0.000 0.516 1279 F N 2.921 122.917 119.950 0.077 0.000 2.146 1279 F HA -0.024 4.500 4.527 -0.006 0.000 0.298 1279 F C 1.899 177.768 175.800 0.114 0.000 1.096 1279 F CA 1.188 59.261 58.000 0.122 0.000 1.275 1279 F CB -0.842 38.292 39.000 0.225 0.000 1.008 1279 F HN 0.841 nan 8.300 nan 0.000 0.480 1280 Y N 0.014 120.212 120.300 -0.169 0.000 2.069 1280 Y HA -0.355 4.192 4.550 -0.006 0.000 0.278 1280 Y C 1.723 177.387 175.900 -0.394 0.000 1.175 1280 Y CA 2.428 60.332 58.100 -0.326 0.000 1.134 1280 Y CB -0.926 37.440 38.460 -0.158 0.000 0.965 1280 Y HN 0.179 nan 8.280 nan 0.000 0.498 1281 Y N 0.485 120.719 120.300 -0.110 0.000 2.471 1281 Y HA 0.089 4.636 4.550 -0.005 0.000 0.286 1281 Y C 1.319 177.109 175.900 -0.184 0.000 1.188 1281 Y CA -0.290 57.719 58.100 -0.151 0.000 1.286 1281 Y CB -0.121 38.314 38.460 -0.041 0.000 1.072 1281 Y HN 0.054 nan 8.280 nan 0.000 0.517 1282 S N -0.558 115.074 115.700 -0.113 0.000 2.624 1282 S HA 0.066 4.533 4.470 -0.006 0.000 0.263 1282 S C 1.106 175.639 174.600 -0.113 0.000 1.287 1282 S CA -0.760 57.389 58.200 -0.084 0.000 0.990 1282 S CB 1.112 64.290 63.200 -0.036 0.000 0.950 1282 S HN 0.238 nan 8.310 nan 0.000 0.561 1283 E N 0.706 120.879 120.200 -0.045 0.000 2.152 1283 E HA -0.132 4.215 4.350 -0.006 0.000 0.192 1283 E C 1.685 178.267 176.600 -0.030 0.000 0.983 1283 E CA 0.883 57.262 56.400 -0.035 0.000 0.818 1283 E CB -0.354 29.343 29.700 -0.004 0.000 0.758 1283 E HN 0.910 nan 8.360 nan 0.000 0.467 1284 E N 1.288 121.496 120.200 0.013 0.000 2.333 1284 E HA -0.144 4.203 4.350 -0.006 0.000 0.198 1284 E C 0.433 177.047 176.600 0.024 0.000 1.007 1284 E CA 0.055 56.518 56.400 0.105 0.000 0.845 1284 E CB 0.010 29.891 29.700 0.302 0.000 0.766 1284 E HN -0.054 nan 8.360 nan 0.000 0.507 1285 N N 1.620 120.153 118.700 -0.278 0.000 2.549 1285 N HA -0.020 4.716 4.740 -0.006 0.000 0.267 1285 N C -0.755 174.639 175.510 -0.193 0.000 1.182 1285 N CA 0.239 53.006 53.050 -0.471 0.000 1.019 1285 N CB 0.323 38.340 38.487 -0.782 0.000 1.380 1285 N HN 0.113 nan 8.380 nan 0.000 0.505 1286 K N 0.000 120.373 120.400 -0.046 0.000 2.780 1286 K HA 0.000 4.316 4.320 -0.006 0.000 0.191 1286 K CA 0.000 56.280 56.287 -0.012 0.000 0.838 1286 K CB 0.000 32.518 32.500 0.030 0.000 1.064 1286 K HN 0.000 nan 8.250 nan 0.000 0.543