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 1cu1_1_B DATA FIRST_RESID 1003 DATA SEQUENCE ITAYSQQTRG LLGCIITSLT GRDKNQVEGE VQVVSTATQS FLATCVNGVC DATA SEQUENCE WTVYHGAGSK TLAGPKGPIT QMYTNVDQDL VGWQAPPGAR SLTPCTCGSS DATA SEQUENCE DLYLVTRHAD VIPVRRRGDS RGSLLSPRPV SYLKGSSGGP LLCPSGHAVG DATA SEQUENCE IFRAAVCTRG VAKAVDFVPV ESMETTMRSP VFTDNSSPPA VPQSFQVAHL DATA SEQUENCE HAPTGSGKST KVPAAYAAQG YKVLVLNPSV AATLGFGAYM SKAHGIDPNI DATA SEQUENCE RTGVRTITTG APVTYSTYGK FLADGGCSGG AYDIIICDEC HSTDSTTILG DATA SEQUENCE IGTVLDQAET AGARLVVLAT ATPPGSVTVP HPNIEEVALS NTGEIPFYGK DATA SEQUENCE AIPIEAIRGG RHLIFCHSKK KCDELAAKLS GLGINAVAYY RGLDVSVIPT DATA SEQUENCE IGDVVVVATD ALMTGYTGDF DSVIDCNTCV TQTVDFSLDP TFTIETTTVP DATA SEQUENCE QDAVSRSQRR GRTGRGRRGI YRFVTPGERP SGMFDSSVLC ECYDAGCAWY DATA SEQUENCE ELTPAETSVR LRAYLNTPGL PVCQDHLEFW ESVFTGLTHI DAHFLSQTKQ DATA SEQUENCE AGDNFPYLVA YQATVCARAQ APPPSWDQMW KCLIRLKPTL HGPTPLLYRL DATA SEQUENCE GAVQNEVTLT HPITKYIMAC MSADLEVVTX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXGSVVIVGR IILSGSGS VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1003 I HA 0.000 nan 4.170 nan 0.000 0.288 1003 I C 0.000 176.048 176.117 -0.115 0.000 1.063 1003 I CA 0.000 61.185 61.300 -0.192 0.000 1.566 1003 I CB 0.000 37.822 38.000 -0.296 0.000 1.214 1004 T N 2.511 117.033 114.554 -0.054 0.000 2.906 1004 T HA 0.993 5.344 4.350 0.000 0.000 0.295 1004 T C -0.704 174.009 174.700 0.021 0.000 1.075 1004 T CA -0.561 61.538 62.100 -0.002 0.000 1.005 1004 T CB 2.553 71.436 68.868 0.025 0.000 1.136 1004 T HN 0.870 nan 8.240 nan 0.000 0.498 1005 A N 1.150 124.006 122.820 0.059 0.000 2.566 1005 A HA 0.927 5.247 4.320 0.000 0.000 0.292 1005 A C -1.726 175.961 177.584 0.171 0.000 1.112 1005 A CA -1.122 50.944 52.037 0.048 0.000 0.707 1005 A CB 1.366 20.363 19.000 -0.006 0.000 1.302 1005 A HN 1.784 nan 8.150 nan 0.000 0.409 1006 Y N -0.868 119.438 120.300 0.009 0.000 2.558 1006 Y HA 0.715 5.265 4.550 0.000 0.000 0.333 1006 Y C -0.274 175.635 175.900 0.014 0.000 1.125 1006 Y CA -0.552 57.557 58.100 0.015 0.000 1.039 1006 Y CB 0.772 39.238 38.460 0.010 0.000 1.331 1006 Y HN 1.047 nan 8.280 nan 0.000 0.456 1007 S N 2.632 118.459 115.700 0.212 0.000 2.687 1007 S HA 0.627 5.097 4.470 0.000 0.000 0.283 1007 S C -0.757 173.945 174.600 0.170 0.000 1.170 1007 S CA -0.665 57.598 58.200 0.105 0.000 1.008 1007 S CB 1.844 65.093 63.200 0.081 0.000 1.026 1007 S HN 1.000 nan 8.310 nan 0.000 0.541 1008 Q N 1.194 121.046 119.800 0.086 0.000 2.483 1008 Q HA 0.232 4.572 4.340 0.000 0.000 0.245 1008 Q C -1.220 174.805 176.000 0.041 0.000 0.902 1008 Q CA -0.400 55.461 55.803 0.095 0.000 0.767 1008 Q CB 1.210 30.019 28.738 0.119 0.000 1.341 1008 Q HN 0.838 nan 8.270 nan 0.000 0.453 1009 Q N 1.854 121.676 119.800 0.038 0.000 2.337 1009 Q HA 0.109 4.449 4.340 0.000 0.000 0.270 1009 Q C 0.129 176.134 176.000 0.009 0.000 1.002 1009 Q CA 1.318 57.131 55.803 0.016 0.000 0.888 1009 Q CB 1.109 29.858 28.738 0.018 0.000 1.222 1009 Q HN 0.885 nan 8.270 nan 0.000 0.400 1010 T N 0.590 115.140 114.554 -0.006 0.000 2.986 1010 T HA 0.325 4.675 4.350 0.000 0.000 0.264 1010 T C 0.428 175.117 174.700 -0.018 0.000 0.964 1010 T CA -0.332 61.762 62.100 -0.011 0.000 0.895 1010 T CB 0.586 69.443 68.868 -0.018 0.000 1.163 1010 T HN 0.387 nan 8.240 nan 0.000 0.517 1011 R N 0.533 121.019 120.500 -0.023 0.000 2.750 1011 R HA 0.704 5.045 4.340 0.000 0.000 0.281 1011 R C -0.024 176.264 176.300 -0.020 0.000 0.972 1011 R CA -0.461 55.623 56.100 -0.027 0.000 0.912 1011 R CB 2.143 32.418 30.300 -0.042 0.000 1.187 1011 R HN 0.370 nan 8.270 nan 0.000 0.464 1012 G N 0.614 109.404 108.800 -0.017 0.000 2.557 1012 G HA2 0.282 4.243 3.960 0.000 0.000 0.302 1012 G HA3 0.282 4.243 3.960 0.000 0.000 0.302 1012 G C 0.575 175.468 174.900 -0.013 0.000 1.311 1012 G CA -0.551 44.542 45.100 -0.011 0.000 1.030 1012 G HN 0.488 nan 8.290 nan 0.000 0.509 1013 L N -0.204 121.015 121.223 -0.007 0.000 2.056 1013 L HA 0.062 4.402 4.340 0.000 0.000 0.207 1013 L C 2.314 179.180 176.870 -0.007 0.000 1.078 1013 L CA 1.545 56.382 54.840 -0.006 0.000 0.749 1013 L CB -0.425 41.634 42.059 0.001 0.000 0.901 1013 L HN 0.420 nan 8.230 nan 0.000 0.433 1014 L N 0.078 121.297 121.223 -0.005 0.000 2.093 1014 L HA 0.097 4.437 4.340 0.000 0.000 0.208 1014 L C 2.258 179.122 176.870 -0.010 0.000 1.085 1014 L CA 1.973 56.810 54.840 -0.005 0.000 0.755 1014 L CB -1.489 40.568 42.059 -0.003 0.000 0.904 1014 L HN 0.312 nan 8.230 nan 0.000 0.435 1015 G N -1.563 107.229 108.800 -0.014 0.000 2.403 1015 G HA2 -0.281 3.679 3.960 0.000 0.000 0.216 1015 G HA3 -0.281 3.679 3.960 0.000 0.000 0.216 1015 G C 1.783 176.667 174.900 -0.027 0.000 1.154 1015 G CA 0.792 45.880 45.100 -0.020 0.000 0.784 1015 G HN 0.535 nan 8.290 nan 0.000 0.538 1016 C N 0.203 119.486 119.300 -0.028 0.000 2.440 1016 C HA 0.123 4.583 4.460 0.000 0.000 0.278 1016 C C 2.869 177.841 174.990 -0.030 0.000 1.295 1016 C CA 0.762 59.758 59.018 -0.036 0.000 1.738 1016 C CB -0.944 26.774 27.740 -0.036 0.000 1.987 1016 C HN 0.437 nan 8.230 nan 0.000 0.492 1017 I N 0.392 120.951 120.570 -0.017 0.000 2.286 1017 I HA -0.094 4.076 4.170 0.000 0.000 0.245 1017 I C 2.439 178.550 176.117 -0.011 0.000 1.104 1017 I CA 1.424 62.718 61.300 -0.010 0.000 1.397 1017 I CB -0.435 37.564 38.000 -0.002 0.000 1.072 1017 I HN 0.265 nan 8.210 nan 0.000 0.417 1018 I N 0.450 121.013 120.570 -0.012 0.000 2.163 1018 I HA -0.306 3.864 4.170 0.000 0.000 0.243 1018 I C 2.521 178.627 176.117 -0.018 0.000 1.085 1018 I CA 1.727 63.021 61.300 -0.011 0.000 1.347 1018 I CB -0.381 37.612 38.000 -0.011 0.000 1.044 1018 I HN 0.277 nan 8.210 nan 0.000 0.408 1019 T N -0.616 113.921 114.554 -0.028 0.000 2.746 1019 T HA -0.196 4.154 4.350 0.000 0.000 0.267 1019 T C 2.070 176.745 174.700 -0.042 0.000 1.039 1019 T CA 1.747 63.823 62.100 -0.040 0.000 1.142 1019 T CB -0.269 68.567 68.868 -0.053 0.000 0.866 1019 T HN 0.267 nan 8.240 nan 0.000 0.444 1020 S N 0.527 116.204 115.700 -0.038 0.000 2.383 1020 S HA -0.000 4.470 4.470 0.000 0.000 0.229 1020 S C 1.906 176.495 174.600 -0.019 0.000 1.030 1020 S CA 0.882 59.063 58.200 -0.033 0.000 1.002 1020 S CB -0.408 62.779 63.200 -0.022 0.000 0.829 1020 S HN 0.403 nan 8.310 nan 0.000 0.467 1021 L N 0.591 121.807 121.223 -0.012 0.000 2.179 1021 L HA 0.004 4.344 4.340 0.000 0.000 0.208 1021 L C 2.754 179.621 176.870 -0.005 0.000 1.096 1021 L CA 1.525 56.363 54.840 -0.003 0.000 0.779 1021 L CB -0.551 41.510 42.059 0.003 0.000 0.922 1021 L HN 0.502 nan 8.230 nan 0.000 0.443 1022 T N -4.619 109.927 114.554 -0.013 0.000 3.040 1022 T HA 0.146 4.496 4.350 0.000 0.000 0.252 1022 T C 1.599 176.286 174.700 -0.022 0.000 1.064 1022 T CA 0.646 62.737 62.100 -0.014 0.000 1.110 1022 T CB 0.498 69.356 68.868 -0.016 0.000 0.921 1022 T HN 0.377 nan 8.240 nan 0.000 0.480 1023 G N 1.636 110.415 108.800 -0.035 0.000 2.189 1023 G HA2 -0.269 3.691 3.960 0.000 0.000 0.267 1023 G HA3 -0.269 3.691 3.960 0.000 0.000 0.267 1023 G C 0.261 175.127 174.900 -0.056 0.000 0.975 1023 G CA 0.151 45.221 45.100 -0.049 0.000 0.644 1023 G HN 0.657 nan 8.290 nan 0.000 0.537 1024 R N 0.814 121.286 120.500 -0.046 0.000 2.280 1024 R HA 0.353 4.693 4.340 0.000 0.000 0.326 1024 R C -1.389 174.882 176.300 -0.050 0.000 1.080 1024 R CA -0.510 55.564 56.100 -0.044 0.000 1.002 1024 R CB 0.582 30.864 30.300 -0.030 0.000 1.136 1024 R HN 0.191 nan 8.270 nan 0.000 0.509 1025 D N 2.239 122.602 120.400 -0.062 0.000 2.414 1025 D HA 0.147 4.787 4.640 0.000 0.000 0.232 1025 D C 0.402 176.668 176.300 -0.056 0.000 1.070 1025 D CA -0.440 53.522 54.000 -0.064 0.000 0.839 1025 D CB 1.286 42.032 40.800 -0.089 0.000 1.079 1025 D HN 0.054 nan 8.370 nan 0.000 0.521 1026 K N 2.113 122.487 120.400 -0.044 0.000 2.361 1026 K HA 0.110 4.430 4.320 0.000 0.000 0.196 1026 K C 0.299 176.877 176.600 -0.036 0.000 1.039 1026 K CA 0.023 56.289 56.287 -0.036 0.000 1.001 1026 K CB -0.280 32.203 32.500 -0.028 0.000 0.795 1026 K HN 0.542 nan 8.250 nan 0.000 0.495 1027 N N 1.796 120.472 118.700 -0.040 0.000 2.345 1027 N HA -0.083 4.657 4.740 0.000 0.000 0.243 1027 N C -0.384 175.102 175.510 -0.040 0.000 1.246 1027 N CA 0.348 53.375 53.050 -0.038 0.000 0.863 1027 N CB 0.367 38.828 38.487 -0.043 0.000 1.096 1027 N HN 0.064 nan 8.380 nan 0.000 0.446 1028 Q N 1.462 121.242 119.800 -0.032 0.000 2.331 1028 Q HA 0.235 4.575 4.340 0.000 0.000 0.257 1028 Q C -0.294 175.687 176.000 -0.033 0.000 0.957 1028 Q CA -0.545 55.239 55.803 -0.030 0.000 0.923 1028 Q CB 1.594 30.320 28.738 -0.021 0.000 1.212 1028 Q HN 0.421 nan 8.270 nan 0.000 0.443 1029 V N 1.866 121.756 119.914 -0.040 0.000 2.843 1029 V HA 0.239 4.359 4.120 0.000 0.000 0.305 1029 V C -0.405 175.672 176.094 -0.028 0.000 1.065 1029 V CA 0.247 62.523 62.300 -0.041 0.000 1.116 1029 V CB 0.898 32.693 31.823 -0.048 0.000 0.968 1029 V HN 0.791 nan 8.190 nan 0.000 0.487 1030 E N 3.111 123.295 120.200 -0.027 0.000 2.392 1030 E HA 0.619 4.969 4.350 0.000 0.000 0.279 1030 E C -0.094 176.489 176.600 -0.029 0.000 0.964 1030 E CA -0.366 56.021 56.400 -0.022 0.000 0.777 1030 E CB 1.970 31.658 29.700 -0.019 0.000 1.249 1030 E HN 1.596 nan 8.360 nan 0.000 0.449 1031 G N 1.406 110.190 108.800 -0.027 0.000 2.795 1031 G HA2 -0.253 3.707 3.960 0.000 0.000 0.664 1031 G HA3 -0.253 3.707 3.960 0.000 0.000 0.664 1031 G C 0.024 174.915 174.900 -0.014 0.000 1.381 1031 G CA 0.159 45.237 45.100 -0.036 0.000 0.853 1031 G HN 0.581 nan 8.290 nan 0.000 0.545 1032 E N -1.392 118.803 120.200 -0.008 0.000 2.201 1032 E HA 0.246 4.596 4.350 0.000 0.000 0.193 1032 E C 1.197 177.816 176.600 0.032 0.000 0.957 1032 E CA 0.842 57.256 56.400 0.023 0.000 0.858 1032 E CB 0.356 30.076 29.700 0.034 0.000 0.816 1032 E HN 0.561 nan 8.360 nan 0.000 0.475 1033 V N 3.318 123.236 119.914 0.007 0.000 2.353 1033 V HA 0.168 4.288 4.120 0.000 0.000 0.264 1033 V C -0.224 175.866 176.094 -0.006 0.000 1.049 1033 V CA -0.605 61.703 62.300 0.014 0.000 0.896 1033 V CB 0.651 32.472 31.823 -0.002 0.000 1.025 1033 V HN 0.104 nan 8.190 nan 0.000 0.475 1034 Q N 3.221 123.026 119.800 0.008 0.000 2.230 1034 Q HA 0.541 4.881 4.340 0.000 0.000 0.253 1034 Q C -0.480 175.499 176.000 -0.036 0.000 0.919 1034 Q CA -0.580 55.209 55.803 -0.024 0.000 0.908 1034 Q CB 2.428 31.145 28.738 -0.034 0.000 1.245 1034 Q HN 0.524 nan 8.270 nan 0.000 0.437 1035 V N 2.759 122.634 119.914 -0.064 0.000 2.383 1035 V HA 0.443 4.564 4.120 0.000 0.000 0.275 1035 V C 0.232 176.232 176.094 -0.156 0.000 1.036 1035 V CA -0.642 61.607 62.300 -0.086 0.000 0.889 1035 V CB 1.214 33.001 31.823 -0.060 0.000 0.985 1035 V HN 0.585 nan 8.190 nan 0.000 0.459 1036 V N 2.375 122.124 119.914 -0.275 0.000 2.960 1036 V HA 1.038 5.158 4.120 0.000 0.000 0.315 1036 V C -0.217 175.518 176.094 -0.597 0.000 1.087 1036 V CA -0.512 61.534 62.300 -0.423 0.000 0.982 1036 V CB 2.065 33.591 31.823 -0.496 0.000 1.039 1036 V HN 0.909 nan 8.190 nan 0.000 0.437 1037 S N 0.494 115.930 115.700 -0.441 0.000 2.627 1037 S HA 0.733 5.203 4.470 0.000 0.000 0.283 1037 S C 0.058 174.555 174.600 -0.172 0.000 1.127 1037 S CA 0.036 58.046 58.200 -0.316 0.000 0.863 1037 S CB 1.765 64.879 63.200 -0.144 0.000 1.121 1037 S HN 1.707 nan 8.310 nan 0.000 0.479 1038 T N -3.088 111.461 114.554 -0.008 0.000 3.288 1038 T HA 0.640 4.990 4.350 0.000 0.000 0.293 1038 T C 1.108 175.840 174.700 0.054 0.000 1.008 1038 T CA 0.453 62.593 62.100 0.067 0.000 0.929 1038 T CB -0.189 68.793 68.868 0.190 0.000 1.152 1038 T HN 2.179 nan 8.240 nan 0.000 0.517 1039 A N 0.970 123.807 122.820 0.028 0.000 4.152 1039 A HA -0.283 4.037 4.320 0.000 0.000 0.256 1039 A C 1.787 179.398 177.584 0.045 0.000 0.844 1039 A CA 2.383 54.438 52.037 0.028 0.000 1.324 1039 A CB -2.641 16.374 19.000 0.025 0.000 1.032 1039 A HN 1.179 nan 8.150 nan 0.000 0.773 1040 T N -4.178 110.418 114.554 0.069 0.000 3.058 1040 T HA 0.490 4.840 4.350 0.000 0.000 0.247 1040 T C 0.727 175.488 174.700 0.102 0.000 0.987 1040 T CA 0.939 63.084 62.100 0.075 0.000 1.062 1040 T CB 0.239 69.151 68.868 0.072 0.000 1.048 1040 T HN 0.761 nan 8.240 nan 0.000 0.468 1041 Q N 0.369 120.264 119.800 0.159 0.000 2.451 1041 Q HA 0.657 4.997 4.340 0.000 0.000 0.281 1041 Q C -1.728 174.437 176.000 0.275 0.000 1.099 1041 Q CA -0.643 55.297 55.803 0.230 0.000 0.806 1041 Q CB 2.591 31.488 28.738 0.266 0.000 1.419 1041 Q HN 0.319 nan 8.270 nan 0.000 0.427 1042 S N 1.290 117.157 115.700 0.279 0.000 2.536 1042 S HA 0.879 5.349 4.470 0.000 0.000 0.287 1042 S C -1.434 173.329 174.600 0.271 0.000 1.101 1042 S CA -0.411 57.840 58.200 0.085 0.000 0.950 1042 S CB 0.615 63.818 63.200 0.004 0.000 1.056 1042 S HN 0.489 nan 8.310 nan 0.000 0.481 1043 F N 1.169 121.141 119.950 0.038 0.000 3.215 1043 F HA 0.674 5.201 4.527 0.000 0.000 0.326 1043 F C -1.690 174.136 175.800 0.043 0.000 1.189 1043 F CA -1.393 56.633 58.000 0.043 0.000 0.905 1043 F CB 0.355 39.383 39.000 0.047 0.000 1.485 1043 F HN 0.427 nan 8.300 nan 0.000 0.508 1044 L N 1.204 122.595 121.223 0.279 0.000 2.358 1044 L HA 0.916 5.256 4.340 0.000 0.000 0.268 1044 L C -0.462 176.549 176.870 0.235 0.000 1.032 1044 L CA -1.130 53.805 54.840 0.159 0.000 0.805 1044 L CB 1.710 43.853 42.059 0.140 0.000 1.253 1044 L HN 0.921 nan 8.230 nan 0.000 0.452 1045 A N 0.336 123.256 122.820 0.167 0.000 2.429 1045 A HA 0.611 4.932 4.320 0.000 0.000 0.289 1045 A C -0.731 176.964 177.584 0.186 0.000 1.043 1045 A CA -0.404 51.770 52.037 0.228 0.000 0.722 1045 A CB 1.748 20.869 19.000 0.203 0.000 1.243 1045 A HN 0.554 nan 8.150 nan 0.000 0.415 1046 T N 0.987 115.682 114.554 0.235 0.000 2.824 1046 T HA 0.499 4.849 4.350 0.000 0.000 0.282 1046 T C -0.425 174.437 174.700 0.270 0.000 0.993 1046 T CA -0.335 61.885 62.100 0.201 0.000 0.967 1046 T CB 0.258 69.223 68.868 0.160 0.000 0.960 1046 T HN 0.784 nan 8.240 nan 0.000 0.441 1047 C N 4.974 124.392 119.300 0.197 0.000 2.499 1047 C HA 0.716 5.176 4.460 0.000 0.000 0.386 1047 C C -0.063 175.067 174.990 0.233 0.000 1.293 1047 C CA -0.503 58.637 59.018 0.204 0.000 1.884 1047 C CB -0.771 27.039 27.740 0.115 0.000 2.509 1047 C HN 0.750 nan 8.230 nan 0.000 0.566 1048 V N 4.525 124.642 119.914 0.338 0.000 2.733 1048 V HA 0.405 4.525 4.120 0.000 0.000 0.306 1048 V C -0.303 175.976 176.094 0.309 0.000 1.084 1048 V CA -0.746 61.730 62.300 0.293 0.000 0.905 1048 V CB 1.855 33.838 31.823 0.267 0.000 1.010 1048 V HN 0.875 nan 8.190 nan 0.000 0.424 1049 N N 3.441 122.253 118.700 0.186 0.000 2.699 1049 N HA -0.211 4.529 4.740 0.000 0.000 0.256 1049 N C 1.195 176.792 175.510 0.145 0.000 0.993 1049 N CA 1.919 55.059 53.050 0.151 0.000 0.759 1049 N CB -0.933 37.644 38.487 0.150 0.000 0.906 1049 N HN 1.654 nan 8.380 nan 0.000 0.541 1050 G N -3.322 105.544 108.800 0.110 0.000 2.205 1050 G HA2 -0.309 3.652 3.960 0.000 0.000 0.261 1050 G HA3 -0.309 3.652 3.960 0.000 0.000 0.261 1050 G C 0.007 174.930 174.900 0.038 0.000 0.980 1050 G CA 0.410 45.553 45.100 0.072 0.000 0.632 1050 G HN 0.569 nan 8.290 nan 0.000 0.533 1051 V N 0.542 120.475 119.914 0.032 0.000 2.495 1051 V HA 0.569 4.689 4.120 0.000 0.000 0.298 1051 V C 0.527 176.459 176.094 -0.271 0.000 1.031 1051 V CA -0.453 61.707 62.300 -0.233 0.000 0.871 1051 V CB 1.752 33.218 31.823 -0.595 0.000 0.988 1051 V HN 0.614 nan 8.190 nan 0.000 0.432 1052 C N 6.793 125.978 119.300 -0.192 0.000 2.225 1052 C HA 0.623 5.083 4.460 0.000 0.000 0.328 1052 C C -0.513 174.513 174.990 0.060 0.000 1.187 1052 C CA -0.873 58.175 59.018 0.049 0.000 1.665 1052 C CB -1.329 26.502 27.740 0.152 0.000 2.253 1052 C HN 0.822 nan 8.230 nan 0.000 0.497 1053 W N 4.033 125.456 121.300 0.205 0.000 2.578 1053 W HA 0.706 5.366 4.660 0.000 0.000 0.346 1053 W C 0.571 177.187 176.519 0.161 0.000 1.075 1053 W CA -0.317 57.106 57.345 0.131 0.000 1.233 1053 W CB 1.448 30.948 29.460 0.067 0.000 1.358 1053 W HN 0.647 nan 8.180 nan 0.000 0.574 1054 T N -0.353 114.414 114.554 0.355 0.000 2.693 1054 T HA 0.425 4.775 4.350 0.000 0.000 0.304 1054 T C -1.317 173.438 174.700 0.092 0.000 1.471 1054 T CA -0.739 61.519 62.100 0.263 0.000 0.993 1054 T CB 0.458 69.585 68.868 0.431 0.000 1.554 1054 T HN 0.488 nan 8.240 nan 0.000 0.496 1055 V N 2.010 121.886 119.914 -0.064 0.000 2.607 1055 V HA 0.477 4.597 4.120 0.000 0.000 0.289 1055 V C 1.092 177.021 176.094 -0.275 0.000 1.053 1055 V CA -0.345 61.803 62.300 -0.252 0.000 0.996 1055 V CB 0.659 32.083 31.823 -0.667 0.000 0.995 1055 V HN 0.928 nan 8.190 nan 0.000 0.476 1056 Y N 4.011 124.168 120.300 -0.237 0.000 2.224 1056 Y HA -0.213 4.338 4.550 0.000 0.000 0.289 1056 Y C 2.597 178.404 175.900 -0.155 0.000 1.146 1056 Y CA 2.482 60.489 58.100 -0.155 0.000 1.182 1056 Y CB -0.367 38.047 38.460 -0.076 0.000 0.983 1056 Y HN 0.931 nan 8.280 nan 0.000 0.524 1057 H N -2.708 116.293 119.070 -0.115 0.000 2.489 1057 H HA 0.009 4.565 4.556 0.000 0.000 0.293 1057 H C 2.016 177.134 175.328 -0.350 0.000 1.066 1057 H CA 1.095 57.022 56.048 -0.202 0.000 1.305 1057 H CB -0.477 29.216 29.762 -0.115 0.000 1.386 1057 H HN 0.446 nan 8.280 nan 0.000 0.551 1058 G N 0.356 108.758 108.800 -0.663 0.000 2.486 1058 G HA2 0.129 4.089 3.960 0.000 0.000 0.210 1058 G HA3 0.129 4.089 3.960 0.000 0.000 0.210 1058 G C 1.812 176.309 174.900 -0.672 0.000 1.168 1058 G CA 0.484 45.013 45.100 -0.952 0.000 0.820 1058 G HN 0.542 nan 8.290 nan 0.000 0.544 1059 A N -0.114 122.465 122.820 -0.402 0.000 2.132 1059 A HA 0.504 4.824 4.320 0.000 0.000 0.213 1059 A C 1.920 179.426 177.584 -0.129 0.000 1.154 1059 A CA 1.453 53.506 52.037 0.027 0.000 0.753 1059 A CB -0.674 18.473 19.000 0.245 0.000 0.826 1059 A HN 1.635 nan 8.150 nan 0.000 0.469 1060 G N -0.661 107.837 108.800 -0.502 0.000 2.596 1060 G HA2 -0.273 3.688 3.960 0.000 0.000 0.295 1060 G HA3 -0.273 3.688 3.960 0.000 0.000 0.295 1060 G C 0.650 175.357 174.900 -0.321 0.000 1.240 1060 G CA 0.400 45.084 45.100 -0.693 0.000 0.985 1060 G HN 0.783 nan 8.290 nan 0.000 0.555 1061 S N 1.123 116.788 115.700 -0.058 0.000 2.601 1061 S HA 0.253 4.723 4.470 0.000 0.000 0.244 1061 S C 0.732 175.394 174.600 0.104 0.000 1.001 1061 S CA 0.171 58.421 58.200 0.084 0.000 0.984 1061 S CB 0.073 63.348 63.200 0.125 0.000 0.842 1061 S HN 0.576 nan 8.310 nan 0.000 0.474 1062 K N 2.540 123.022 120.400 0.137 0.000 2.319 1062 K HA 0.174 4.494 4.320 0.000 0.000 0.265 1062 K C 0.760 177.575 176.600 0.358 0.000 1.000 1062 K CA -0.017 56.390 56.287 0.199 0.000 0.943 1062 K CB 0.200 32.811 32.500 0.185 0.000 0.950 1062 K HN 0.256 nan 8.250 nan 0.000 0.485 1063 T N -0.619 114.081 114.554 0.243 0.000 2.882 1063 T HA 0.307 4.657 4.350 0.000 0.000 0.287 1063 T C -0.192 174.537 174.700 0.048 0.000 1.014 1063 T CA -1.018 61.227 62.100 0.241 0.000 1.049 1063 T CB 0.704 69.630 68.868 0.097 0.000 1.001 1063 T HN 0.332 nan 8.240 nan 0.000 0.525 1064 L N 1.790 122.839 121.223 -0.289 0.000 2.322 1064 L HA 0.717 5.058 4.340 0.000 0.000 0.279 1064 L C 0.200 176.848 176.870 -0.370 0.000 1.036 1064 L CA -0.846 53.569 54.840 -0.708 0.000 0.807 1064 L CB 0.665 41.767 42.059 -1.594 0.000 1.226 1064 L HN 0.995 nan 8.230 nan 0.000 0.433 1065 A N 3.461 126.101 122.820 -0.299 0.000 2.492 1065 A HA 0.600 4.920 4.320 0.000 0.000 0.254 1065 A C 0.333 177.806 177.584 -0.184 0.000 1.091 1065 A CA 0.463 52.388 52.037 -0.187 0.000 0.768 1065 A CB -0.772 18.138 19.000 -0.151 0.000 1.028 1065 A HN 1.029 nan 8.150 nan 0.000 0.498 1066 G N 2.119 110.840 108.800 -0.132 0.000 2.605 1066 G HA2 0.618 4.578 3.960 0.000 0.000 0.296 1066 G HA3 0.618 4.578 3.960 0.000 0.000 0.296 1066 G C -1.808 173.047 174.900 -0.074 0.000 1.304 1066 G CA -1.321 43.713 45.100 -0.110 0.000 0.941 1066 G HN 0.334 nan 8.290 nan 0.000 0.475 1067 P HA -0.190 nan 4.420 nan 0.000 0.217 1067 P C 0.962 178.240 177.300 -0.037 0.000 1.158 1067 P CA 1.485 64.558 63.100 -0.046 0.000 0.887 1067 P CB 0.307 31.983 31.700 -0.040 0.000 0.792 1068 K N -0.769 119.610 120.400 -0.035 0.000 2.372 1068 K HA 0.408 4.728 4.320 0.000 0.000 0.200 1068 K C 1.232 177.816 176.600 -0.027 0.000 1.022 1068 K CA 0.439 56.710 56.287 -0.027 0.000 1.125 1068 K CB 0.868 33.355 32.500 -0.022 0.000 0.855 1068 K HN 0.310 nan 8.250 nan 0.000 0.524 1069 G N 1.869 110.648 108.800 -0.035 0.000 2.347 1069 G HA2 -0.075 3.885 3.960 0.000 0.000 0.341 1069 G HA3 -0.075 3.885 3.960 0.000 0.000 0.341 1069 G C -3.270 171.604 174.900 -0.044 0.000 1.287 1069 G CA -1.212 43.868 45.100 -0.033 0.000 0.984 1069 G HN -0.202 nan 8.290 nan 0.000 0.526 1070 P HA 0.449 nan 4.420 nan 0.000 0.271 1070 P C -0.142 177.142 177.300 -0.027 0.000 1.220 1070 P CA -0.013 63.061 63.100 -0.042 0.000 0.768 1070 P CB 0.488 32.178 31.700 -0.017 0.000 0.848 1071 I N 2.694 123.235 120.570 -0.049 0.000 2.312 1071 I HA 0.156 4.326 4.170 0.000 0.000 0.291 1071 I C 1.359 177.553 176.117 0.128 0.000 1.031 1071 I CA -0.282 61.021 61.300 0.005 0.000 1.293 1071 I CB 0.836 38.810 38.000 -0.044 0.000 1.403 1071 I HN 0.316 nan 8.210 nan 0.000 0.484 1072 T N 3.618 118.244 114.554 0.121 0.000 2.868 1072 T HA 0.232 4.582 4.350 0.000 0.000 0.292 1072 T C 0.131 174.954 174.700 0.205 0.000 1.028 1072 T CA -0.696 61.498 62.100 0.156 0.000 1.059 1072 T CB 0.749 69.657 68.868 0.067 0.000 0.991 1072 T HN 0.555 nan 8.240 nan 0.000 0.531 1073 Q N 2.058 121.937 119.800 0.133 0.000 2.337 1073 Q HA 0.140 4.480 4.340 0.000 0.000 0.270 1073 Q C 1.037 176.936 176.000 -0.169 0.000 1.002 1073 Q CA -0.211 55.521 55.803 -0.118 0.000 0.888 1073 Q CB 0.871 29.431 28.738 -0.298 0.000 1.222 1073 Q HN 0.823 nan 8.270 nan 0.000 0.400 1074 M N 2.584 122.012 119.600 -0.286 0.000 2.193 1074 M HA -0.042 4.438 4.480 0.000 0.000 0.265 1074 M C -0.673 175.208 176.300 -0.700 0.000 1.071 1074 M CA 1.472 56.448 55.300 -0.540 0.000 1.140 1074 M CB 0.566 32.721 32.600 -0.742 0.000 1.369 1074 M HN 0.550 nan 8.290 nan 0.000 0.423 1075 Y N -0.810 119.384 120.300 -0.176 0.000 2.462 1075 Y HA 0.509 5.059 4.550 0.000 0.000 0.346 1075 Y C -0.812 175.036 175.900 -0.087 0.000 0.976 1075 Y CA -1.229 56.819 58.100 -0.087 0.000 1.044 1075 Y CB 1.968 40.427 38.460 -0.002 0.000 1.230 1075 Y HN -0.187 nan 8.280 nan 0.000 0.455 1076 T N 2.395 117.024 114.554 0.125 0.000 3.186 1076 T HA 0.197 4.547 4.350 0.000 0.000 0.320 1076 T C -1.211 173.489 174.700 0.001 0.000 0.955 1076 T CA -0.869 61.256 62.100 0.041 0.000 1.030 1076 T CB 0.422 69.292 68.868 0.003 0.000 1.013 1076 T HN 0.499 nan 8.240 nan 0.000 0.454 1077 N N 3.225 121.915 118.700 -0.017 0.000 2.851 1077 N HA 0.205 4.945 4.740 0.000 0.000 0.248 1077 N C 1.082 176.492 175.510 -0.167 0.000 1.221 1077 N CA -0.427 52.579 53.050 -0.073 0.000 0.847 1077 N CB 0.875 39.347 38.487 -0.024 0.000 1.150 1077 N HN 0.302 nan 8.380 nan 0.000 0.507 1078 V N 1.104 120.818 119.914 -0.333 0.000 2.568 1078 V HA -0.184 3.936 4.120 0.000 0.000 0.253 1078 V C 1.499 177.457 176.094 -0.226 0.000 1.072 1078 V CA 1.421 63.429 62.300 -0.485 0.000 1.084 1078 V CB -0.204 31.218 31.823 -0.668 0.000 0.676 1078 V HN 0.471 nan 8.190 nan 0.000 0.469 1079 D N -0.143 120.162 120.400 -0.158 0.000 2.144 1079 D HA -0.141 4.499 4.640 0.000 0.000 0.200 1079 D C 2.206 178.459 176.300 -0.078 0.000 0.978 1079 D CA 1.142 55.083 54.000 -0.099 0.000 0.833 1079 D CB -0.079 40.671 40.800 -0.083 0.000 0.961 1079 D HN 0.509 nan 8.370 nan 0.000 0.470 1080 Q N -0.058 119.695 119.800 -0.078 0.000 2.360 1080 Q HA 0.010 4.350 4.340 0.000 0.000 0.202 1080 Q C -0.345 175.633 176.000 -0.037 0.000 0.915 1080 Q CA -0.045 55.720 55.803 -0.063 0.000 0.943 1080 Q CB 0.637 29.330 28.738 -0.074 0.000 1.064 1080 Q HN 0.010 nan 8.270 nan 0.000 0.511 1081 D N 0.455 120.843 120.400 -0.020 0.000 2.723 1081 D HA -0.197 4.443 4.640 0.000 0.000 0.236 1081 D C -1.348 174.977 176.300 0.042 0.000 1.138 1081 D CA 0.618 54.650 54.000 0.053 0.000 0.676 1081 D CB -0.868 39.977 40.800 0.075 0.000 1.069 1081 D HN 0.241 nan 8.370 nan 0.000 0.430 1082 L N 0.157 121.405 121.223 0.041 0.000 2.408 1082 L HA 0.745 5.085 4.340 0.000 0.000 0.268 1082 L C -0.787 176.157 176.870 0.124 0.000 0.986 1082 L CA -0.853 54.026 54.840 0.065 0.000 0.820 1082 L CB 2.161 44.225 42.059 0.008 0.000 1.303 1082 L HN -0.114 nan 8.230 nan 0.000 0.411 1083 V N 2.500 122.511 119.914 0.161 0.000 3.048 1083 V HA 0.867 4.987 4.120 0.000 0.000 0.303 1083 V C -0.263 175.804 176.094 -0.044 0.000 1.214 1083 V CA -0.311 61.995 62.300 0.011 0.000 0.984 1083 V CB 2.380 34.106 31.823 -0.162 0.000 1.054 1083 V HN 0.897 nan 8.190 nan 0.000 0.430 1084 G N 2.531 111.127 108.800 -0.339 0.000 2.660 1084 G HA2 0.749 4.709 3.960 0.000 0.000 0.294 1084 G HA3 0.749 4.709 3.960 0.000 0.000 0.294 1084 G C -2.049 172.462 174.900 -0.648 0.000 1.369 1084 G CA -0.461 44.283 45.100 -0.593 0.000 0.912 1084 G HN 0.531 nan 8.290 nan 0.000 0.479 1085 W N 0.101 121.247 121.300 -0.256 0.000 3.032 1085 W HA 0.375 5.035 4.660 0.000 0.000 0.335 1085 W C -0.519 175.872 176.519 -0.212 0.000 1.154 1085 W CA -0.907 56.324 57.345 -0.189 0.000 1.204 1085 W CB 2.089 31.482 29.460 -0.113 0.000 1.416 1085 W HN 0.298 nan 8.180 nan 0.000 0.521 1086 Q N 1.574 121.409 119.800 0.059 0.000 2.255 1086 Q HA 0.234 4.574 4.340 0.000 0.000 0.280 1086 Q C 0.220 176.229 176.000 0.016 0.000 1.068 1086 Q CA 0.241 56.042 55.803 -0.003 0.000 0.911 1086 Q CB 0.925 29.652 28.738 -0.018 0.000 1.157 1086 Q HN 0.434 nan 8.270 nan 0.000 0.380 1087 A N 6.864 129.685 122.820 0.002 0.000 2.540 1087 A HA 0.285 4.606 4.320 0.000 0.000 0.239 1087 A C -1.951 175.628 177.584 -0.008 0.000 1.061 1087 A CA -0.828 51.212 52.037 0.004 0.000 0.758 1087 A CB -0.434 18.574 19.000 0.014 0.000 0.991 1087 A HN 0.493 nan 8.150 nan 0.000 0.502 1088 P HA 0.208 nan 4.420 nan 0.000 0.275 1088 P C -1.833 175.456 177.300 -0.020 0.000 1.228 1088 P CA -1.414 61.666 63.100 -0.032 0.000 0.786 1088 P CB 0.056 31.723 31.700 -0.055 0.000 0.927 1089 P HA -0.248 nan 4.420 nan 0.000 0.222 1089 P C 1.272 178.566 177.300 -0.009 0.000 1.157 1089 P CA 2.237 65.330 63.100 -0.012 0.000 0.905 1089 P CB -0.636 31.056 31.700 -0.014 0.000 0.792 1090 G N -1.235 107.556 108.800 -0.014 0.000 3.210 1090 G HA2 0.276 4.236 3.960 0.000 0.000 0.220 1090 G HA3 0.276 4.236 3.960 0.000 0.000 0.220 1090 G C 0.425 175.320 174.900 -0.008 0.000 1.200 1090 G CA 0.278 45.371 45.100 -0.011 0.000 0.834 1090 G HN 0.533 nan 8.290 nan 0.000 0.524 1091 A N 0.159 122.977 122.820 -0.004 0.000 2.328 1091 A HA 0.598 4.918 4.320 0.000 0.000 0.284 1091 A C 1.304 178.897 177.584 0.015 0.000 1.160 1091 A CA -0.616 51.424 52.037 0.005 0.000 0.818 1091 A CB 0.688 19.694 19.000 0.010 0.000 1.087 1091 A HN 0.369 nan 8.150 nan 0.000 0.504 1092 R N 1.561 122.072 120.500 0.019 0.000 2.128 1092 R HA 0.256 4.596 4.340 0.000 0.000 0.211 1092 R C 0.637 176.962 176.300 0.041 0.000 1.067 1092 R CA 0.847 56.962 56.100 0.024 0.000 1.010 1092 R CB -0.221 30.090 30.300 0.017 0.000 0.922 1092 R HN 0.929 nan 8.270 nan 0.000 0.457 1093 S N -0.821 114.910 115.700 0.052 0.000 3.976 1093 S HA -0.131 4.339 4.470 0.000 0.000 0.652 1093 S C -0.658 173.991 174.600 0.081 0.000 1.522 1093 S CA -0.062 58.185 58.200 0.079 0.000 1.667 1093 S CB -0.626 62.623 63.200 0.081 0.000 0.332 1093 S HN 0.209 nan 8.310 nan 0.000 1.594 1094 L N 0.979 122.263 121.223 0.103 0.000 2.257 1094 L HA 0.817 5.157 4.340 0.000 0.000 0.257 1094 L C 0.219 177.153 176.870 0.107 0.000 1.033 1094 L CA -0.227 54.677 54.840 0.107 0.000 0.835 1094 L CB 2.298 44.421 42.059 0.107 0.000 1.398 1094 L HN 0.952 nan 8.230 nan 0.000 0.429 1095 T N -1.899 112.728 114.554 0.121 0.000 2.863 1095 T HA 0.605 4.955 4.350 0.000 0.000 0.285 1095 T C -2.830 171.871 174.700 0.002 0.000 1.009 1095 T CA -2.223 59.897 62.100 0.034 0.000 0.989 1095 T CB 1.816 70.654 68.868 -0.050 0.000 1.004 1095 T HN 0.113 nan 8.240 nan 0.000 0.455 1096 P HA 0.187 nan 4.420 nan 0.000 0.268 1096 P C 0.485 177.744 177.300 -0.068 0.000 1.205 1096 P CA -0.660 62.422 63.100 -0.030 0.000 0.771 1096 P CB 0.119 31.797 31.700 -0.036 0.000 0.858 1097 C N 3.291 122.598 119.300 0.011 0.000 2.703 1097 C HA 0.250 4.710 4.460 0.000 0.000 0.411 1097 C C 1.333 176.315 174.990 -0.014 0.000 1.290 1097 C CA 1.020 60.063 59.018 0.043 0.000 2.054 1097 C CB -0.964 26.823 27.740 0.077 0.000 2.732 1097 C HN 0.786 nan 8.230 nan 0.000 0.650 1098 T N 0.114 114.664 114.554 -0.008 0.000 3.403 1098 T HA 0.110 4.460 4.350 0.000 0.000 0.308 1098 T C 0.524 175.231 174.700 0.012 0.000 0.952 1098 T CA 0.351 62.442 62.100 -0.015 0.000 0.970 1098 T CB -0.974 67.865 68.868 -0.049 0.000 1.189 1098 T HN 1.032 nan 8.240 nan 0.000 0.528 1099 C N 0.104 119.426 119.300 0.036 0.000 3.019 1099 C HA 0.703 5.164 4.460 0.000 0.000 0.295 1099 C C 2.089 177.099 174.990 0.034 0.000 1.256 1099 C CA 0.224 59.266 59.018 0.040 0.000 1.706 1099 C CB -0.932 26.844 27.740 0.060 0.000 2.153 1099 C HN 0.972 nan 8.230 nan 0.000 0.618 1100 G N 1.983 110.803 108.800 0.033 0.000 2.273 1100 G HA2 -0.195 3.765 3.960 0.000 0.000 0.280 1100 G HA3 -0.195 3.765 3.960 0.000 0.000 0.280 1100 G C 0.033 174.952 174.900 0.031 0.000 1.047 1100 G CA 0.729 45.847 45.100 0.030 0.000 0.869 1100 G HN 1.164 nan 8.290 nan 0.000 0.502 1101 S N -0.280 115.442 115.700 0.036 0.000 2.499 1101 S HA 0.546 5.016 4.470 0.000 0.000 0.275 1101 S C 1.685 176.297 174.600 0.021 0.000 1.257 1101 S CA 0.635 58.855 58.200 0.033 0.000 1.050 1101 S CB 0.863 64.091 63.200 0.048 0.000 0.937 1101 S HN 1.388 nan 8.310 nan 0.000 0.490 1102 S N 2.800 118.508 115.700 0.013 0.000 2.593 1102 S HA 0.138 4.608 4.470 0.000 0.000 0.217 1102 S C -0.195 174.384 174.600 -0.036 0.000 0.966 1102 S CA -0.248 57.953 58.200 0.002 0.000 0.914 1102 S CB -0.182 63.023 63.200 0.009 0.000 0.776 1102 S HN 0.679 nan 8.310 nan 0.000 0.523 1103 D N 2.062 122.437 120.400 -0.042 0.000 2.347 1103 D HA 0.567 5.207 4.640 0.000 0.000 0.235 1103 D C -0.666 175.508 176.300 -0.210 0.000 1.149 1103 D CA -0.171 53.758 54.000 -0.117 0.000 0.850 1103 D CB 1.099 41.880 40.800 -0.032 0.000 1.061 1103 D HN 0.118 nan 8.370 nan 0.000 0.487 1104 L N 2.422 123.400 121.223 -0.408 0.000 2.301 1104 L HA 0.528 4.868 4.340 0.000 0.000 0.264 1104 L C -0.771 175.577 176.870 -0.870 0.000 1.016 1104 L CA -1.137 53.441 54.840 -0.436 0.000 0.821 1104 L CB 0.678 42.577 42.059 -0.266 0.000 1.346 1104 L HN 0.261 nan 8.230 nan 0.000 0.429 1105 Y N 1.041 121.285 120.300 -0.093 0.000 2.406 1105 Y HA 0.618 5.168 4.550 0.000 0.000 0.340 1105 Y C -0.432 175.398 175.900 -0.117 0.000 0.975 1105 Y CA -0.876 57.173 58.100 -0.085 0.000 1.056 1105 Y CB 1.932 40.354 38.460 -0.063 0.000 1.210 1105 Y HN 0.333 nan 8.280 nan 0.000 0.448 1106 L N 4.087 125.281 121.223 -0.048 0.000 2.272 1106 L HA 0.697 5.037 4.340 0.000 0.000 0.289 1106 L C -1.159 175.663 176.870 -0.079 0.000 1.032 1106 L CA -0.641 54.124 54.840 -0.126 0.000 0.810 1106 L CB 1.062 42.963 42.059 -0.264 0.000 1.205 1106 L HN 0.449 nan 8.230 nan 0.000 0.422 1107 V N 4.789 124.662 119.914 -0.068 0.000 2.368 1107 V HA 0.387 4.507 4.120 0.000 0.000 0.266 1107 V C 0.776 176.814 176.094 -0.094 0.000 1.045 1107 V CA -0.077 62.193 62.300 -0.051 0.000 0.899 1107 V CB 0.758 32.565 31.823 -0.027 0.000 1.006 1107 V HN 0.952 nan 8.190 nan 0.000 0.470 1108 T N 2.548 117.023 114.554 -0.131 0.000 2.881 1108 T HA 0.319 4.669 4.350 0.000 0.000 0.278 1108 T C 1.277 175.846 174.700 -0.217 0.000 0.982 1108 T CA -0.445 61.519 62.100 -0.226 0.000 0.989 1108 T CB 0.938 69.578 68.868 -0.379 0.000 1.058 1108 T HN 0.728 nan 8.240 nan 0.000 0.529 1109 R N 0.020 120.329 120.500 -0.318 0.000 2.241 1109 R HA -0.087 4.253 4.340 0.000 0.000 0.224 1109 R C 0.762 176.939 176.300 -0.206 0.000 1.101 1109 R CA 1.214 57.166 56.100 -0.246 0.000 0.995 1109 R CB -0.667 29.502 30.300 -0.219 0.000 0.870 1109 R HN 0.722 nan 8.270 nan 0.000 0.463 1110 H N 0.592 119.641 119.070 -0.035 0.000 2.610 1110 H HA 0.358 4.914 4.556 0.000 0.000 0.302 1110 H C 0.692 176.036 175.328 0.026 0.000 1.063 1110 H CA 0.009 56.059 56.048 0.003 0.000 1.159 1110 H CB 0.346 30.117 29.762 0.015 0.000 1.427 1110 H HN 0.406 nan 8.280 nan 0.000 0.553 1111 A N 0.950 123.803 122.820 0.056 0.000 2.822 1111 A HA -0.213 4.107 4.320 0.000 0.000 0.287 1111 A C -0.435 177.195 177.584 0.078 0.000 1.479 1111 A CA 0.788 52.858 52.037 0.053 0.000 0.779 1111 A CB -1.791 17.262 19.000 0.088 0.000 1.022 1111 A HN 0.365 nan 8.150 nan 0.000 0.532 1112 D N -0.519 119.924 120.400 0.072 0.000 2.177 1112 D HA 0.515 5.155 4.640 0.000 0.000 0.247 1112 D C -0.015 176.327 176.300 0.070 0.000 1.063 1112 D CA -0.015 54.054 54.000 0.114 0.000 0.867 1112 D CB 1.707 42.632 40.800 0.207 0.000 1.168 1112 D HN 0.263 nan 8.370 nan 0.000 0.445 1113 V N 4.174 124.140 119.914 0.087 0.000 2.293 1113 V HA 0.299 4.419 4.120 0.000 0.000 0.275 1113 V C 0.385 176.554 176.094 0.125 0.000 1.021 1113 V CA -0.809 61.543 62.300 0.087 0.000 0.815 1113 V CB 0.653 32.520 31.823 0.073 0.000 1.025 1113 V HN 0.389 nan 8.190 nan 0.000 0.448 1114 I N 3.556 124.183 120.570 0.095 0.000 2.412 1114 I HA 0.705 4.875 4.170 0.000 0.000 0.296 1114 I C -2.500 173.628 176.117 0.017 0.000 0.987 1114 I CA -2.612 58.737 61.300 0.081 0.000 1.180 1114 I CB 2.615 40.670 38.000 0.092 0.000 1.340 1114 I HN 0.318 nan 8.210 nan 0.000 0.455 1115 P HA 0.213 nan 4.420 nan 0.000 0.271 1115 P C -0.831 176.344 177.300 -0.209 0.000 1.216 1115 P CA -0.082 62.886 63.100 -0.221 0.000 0.776 1115 P CB 1.724 33.349 31.700 -0.125 0.000 0.881 1116 V N 3.946 123.679 119.914 -0.302 0.000 2.808 1116 V HA 0.412 4.532 4.120 0.000 0.000 0.308 1116 V C 0.326 176.319 176.094 -0.169 0.000 1.099 1116 V CA -0.884 61.308 62.300 -0.180 0.000 0.920 1116 V CB 2.166 33.900 31.823 -0.148 0.000 1.014 1116 V HN 0.529 nan 8.190 nan 0.000 0.425 1117 R N 3.183 123.631 120.500 -0.087 0.000 2.229 1117 R HA 0.594 4.935 4.340 0.000 0.000 0.332 1117 R C -0.118 176.179 176.300 -0.005 0.000 0.989 1117 R CA -0.778 55.286 56.100 -0.059 0.000 0.842 1117 R CB 1.397 31.673 30.300 -0.039 0.000 1.119 1117 R HN 0.611 nan 8.270 nan 0.000 0.456 1118 R N 2.084 122.590 120.500 0.011 0.000 2.537 1118 R HA -0.046 4.294 4.340 0.000 0.000 0.281 1118 R C 0.266 176.600 176.300 0.056 0.000 0.988 1118 R CA 0.332 56.477 56.100 0.076 0.000 1.077 1118 R CB 0.567 30.918 30.300 0.084 0.000 0.932 1118 R HN 0.639 nan 8.270 nan 0.000 0.409 1119 R N 1.873 122.412 120.500 0.065 0.000 2.419 1119 R HA 0.226 4.566 4.340 0.000 0.000 0.235 1119 R C 0.515 176.827 176.300 0.021 0.000 0.899 1119 R CA 0.338 56.458 56.100 0.033 0.000 1.048 1119 R CB 1.534 31.850 30.300 0.026 0.000 1.182 1119 R HN 0.773 nan 8.270 nan 0.000 0.544 1120 G N -0.184 108.632 108.800 0.027 0.000 2.782 1120 G HA2 0.085 4.045 3.960 0.000 0.000 0.304 1120 G HA3 0.085 4.045 3.960 0.000 0.000 0.304 1120 G C -0.616 174.279 174.900 -0.008 0.000 1.315 1120 G CA -0.194 44.900 45.100 -0.011 0.000 0.791 1120 G HN -0.069 nan 8.290 nan 0.000 0.519 1121 D N -1.130 119.236 120.400 -0.058 0.000 2.234 1121 D HA -0.010 4.630 4.640 0.000 0.000 0.205 1121 D C 1.653 177.838 176.300 -0.193 0.000 0.962 1121 D CA 1.716 55.684 54.000 -0.055 0.000 0.855 1121 D CB 0.209 40.973 40.800 -0.060 0.000 0.951 1121 D HN 0.452 nan 8.370 nan 0.000 0.500 1122 S N -0.999 114.458 115.700 -0.406 0.000 2.941 1122 S HA 0.428 4.898 4.470 0.000 0.000 0.248 1122 S C -0.046 173.994 174.600 -0.933 0.000 0.962 1122 S CA -0.909 56.705 58.200 -0.976 0.000 1.092 1122 S CB 0.357 63.214 63.200 -0.571 0.000 1.113 1122 S HN -0.026 nan 8.310 nan 0.000 0.512 1123 R N 0.159 120.354 120.500 -0.509 0.000 2.643 1123 R HA 0.736 5.077 4.340 0.000 0.000 0.269 1123 R C -0.764 175.645 176.300 0.181 0.000 1.037 1123 R CA -0.192 55.842 56.100 -0.109 0.000 0.894 1123 R CB 1.831 32.089 30.300 -0.070 0.000 1.238 1123 R HN 0.446 nan 8.270 nan 0.000 0.459 1124 G N 0.227 109.169 108.800 0.237 0.000 2.719 1124 G HA2 0.404 4.364 3.960 0.000 0.000 0.298 1124 G HA3 0.404 4.364 3.960 0.000 0.000 0.298 1124 G C -1.070 173.891 174.900 0.101 0.000 1.411 1124 G CA -0.447 44.763 45.100 0.184 0.000 0.991 1124 G HN 0.471 nan 8.290 nan 0.000 0.509 1125 S N 1.169 116.899 115.700 0.049 0.000 2.508 1125 S HA 0.666 5.136 4.470 0.000 0.000 0.284 1125 S C 0.058 174.659 174.600 0.002 0.000 1.192 1125 S CA -0.747 57.469 58.200 0.027 0.000 1.070 1125 S CB 1.327 64.535 63.200 0.014 0.000 1.004 1125 S HN 0.552 nan 8.310 nan 0.000 0.493 1126 L N 3.443 124.669 121.223 0.006 0.000 2.367 1126 L HA 0.154 4.494 4.340 0.000 0.000 0.275 1126 L C 1.121 177.982 176.870 -0.016 0.000 1.129 1126 L CA -0.854 53.980 54.840 -0.010 0.000 0.839 1126 L CB 0.381 42.445 42.059 0.008 0.000 1.133 1126 L HN 0.663 nan 8.230 nan 0.000 0.453 1127 L N 1.378 122.584 121.223 -0.029 0.000 2.362 1127 L HA -0.018 4.322 4.340 0.000 0.000 0.219 1127 L C 0.672 177.532 176.870 -0.017 0.000 1.134 1127 L CA 1.236 56.061 54.840 -0.025 0.000 0.807 1127 L CB -0.666 41.374 42.059 -0.030 0.000 0.927 1127 L HN 0.561 nan 8.230 nan 0.000 0.447 1128 S N -0.672 115.018 115.700 -0.015 0.000 2.789 1128 S HA 0.396 4.866 4.470 0.000 0.000 0.286 1128 S C -2.325 172.265 174.600 -0.016 0.000 1.153 1128 S CA -0.941 57.248 58.200 -0.019 0.000 1.084 1128 S CB 1.958 65.142 63.200 -0.028 0.000 1.036 1128 S HN -0.100 nan 8.310 nan 0.000 0.484 1129 P HA 0.169 nan 4.420 nan 0.000 0.266 1129 P C -0.363 176.932 177.300 -0.009 0.000 1.186 1129 P CA 0.188 63.287 63.100 -0.001 0.000 0.767 1129 P CB 0.456 32.153 31.700 -0.005 0.000 0.820 1130 R N 2.718 123.229 120.500 0.019 0.000 2.707 1130 R HA 0.444 4.784 4.340 0.000 0.000 0.272 1130 R C -2.726 173.615 176.300 0.067 0.000 1.011 1130 R CA -2.242 53.865 56.100 0.013 0.000 0.893 1130 R CB 1.794 32.095 30.300 0.002 0.000 1.233 1130 R HN 0.233 nan 8.270 nan 0.000 0.464 1131 P HA -0.058 nan 4.420 nan 0.000 0.266 1131 P C 0.766 178.159 177.300 0.155 0.000 1.195 1131 P CA -0.065 63.089 63.100 0.091 0.000 0.768 1131 P CB 0.576 32.324 31.700 0.081 0.000 0.838 1132 V N 2.139 122.130 119.914 0.129 0.000 2.324 1132 V HA -0.311 3.809 4.120 0.000 0.000 0.250 1132 V C 2.492 178.692 176.094 0.177 0.000 1.060 1132 V CA 2.499 64.890 62.300 0.151 0.000 1.042 1132 V CB -1.991 29.899 31.823 0.113 0.000 0.650 1132 V HN 0.739 nan 8.190 nan 0.000 0.450 1133 S N 0.567 116.362 115.700 0.159 0.000 2.393 1133 S HA -0.425 4.045 4.470 0.000 0.000 0.234 1133 S C 2.009 176.745 174.600 0.226 0.000 1.064 1133 S CA 2.401 60.701 58.200 0.166 0.000 1.088 1133 S CB -1.048 62.238 63.200 0.143 0.000 0.939 1133 S HN 0.701 nan 8.310 nan 0.000 0.448 1134 Y N 1.569 121.945 120.300 0.126 0.000 2.151 1134 Y HA -0.048 4.502 4.550 0.000 0.000 0.284 1134 Y C 2.009 178.018 175.900 0.181 0.000 1.166 1134 Y CA 1.640 59.840 58.100 0.165 0.000 1.163 1134 Y CB -0.532 37.998 38.460 0.116 0.000 0.974 1134 Y HN 0.311 nan 8.280 nan 0.000 0.511 1135 L N 0.695 121.980 121.223 0.103 0.000 2.492 1135 L HA 0.028 4.368 4.340 0.000 0.000 0.223 1135 L C 0.764 177.732 176.870 0.164 0.000 1.132 1135 L CA 0.840 55.723 54.840 0.072 0.000 0.850 1135 L CB -0.982 41.239 42.059 0.270 0.000 0.966 1135 L HN 0.034 nan 8.230 nan 0.000 0.454 1136 K N -0.608 119.876 120.400 0.140 0.000 2.382 1136 K HA 0.346 4.666 4.320 0.000 0.000 0.275 1136 K C 1.149 177.815 176.600 0.109 0.000 1.009 1136 K CA 0.667 57.034 56.287 0.134 0.000 0.970 1136 K CB 0.207 32.778 32.500 0.118 0.000 0.934 1136 K HN 0.216 nan 8.250 nan 0.000 0.479 1137 G N 1.064 109.945 108.800 0.135 0.000 2.175 1137 G HA2 -0.258 3.702 3.960 0.000 0.000 0.244 1137 G HA3 -0.258 3.702 3.960 0.000 0.000 0.244 1137 G C 0.527 175.508 174.900 0.134 0.000 0.982 1137 G CA 0.424 45.610 45.100 0.144 0.000 0.641 1137 G HN 0.547 nan 8.290 nan 0.000 0.527 1138 S N 0.090 115.886 115.700 0.159 0.000 2.539 1138 S HA 0.417 4.887 4.470 0.000 0.000 0.221 1138 S C 1.126 175.951 174.600 0.375 0.000 0.987 1138 S CA 0.607 58.922 58.200 0.190 0.000 0.929 1138 S CB 0.679 63.934 63.200 0.091 0.000 0.832 1138 S HN 1.593 nan 8.310 nan 0.000 0.492 1139 S N 1.326 117.193 115.700 0.279 0.000 2.560 1139 S HA 0.463 4.933 4.470 0.000 0.000 0.284 1139 S C 1.353 176.070 174.600 0.195 0.000 1.327 1139 S CA 0.514 58.791 58.200 0.129 0.000 1.055 1139 S CB 0.601 63.789 63.200 -0.019 0.000 0.868 1139 S HN 0.920 nan 8.310 nan 0.000 0.506 1140 G N 2.091 110.995 108.800 0.173 0.000 2.194 1140 G HA2 -0.093 3.867 3.960 0.000 0.000 0.236 1140 G HA3 -0.093 3.867 3.960 0.000 0.000 0.236 1140 G C 0.529 175.557 174.900 0.213 0.000 0.987 1140 G CA -0.040 45.181 45.100 0.201 0.000 0.635 1140 G HN 1.449 nan 8.290 nan 0.000 0.520 1141 G N 0.768 109.708 108.800 0.233 0.000 2.539 1141 G HA2 0.626 4.586 3.960 0.000 0.000 0.258 1141 G HA3 0.626 4.586 3.960 0.000 0.000 0.258 1141 G C -1.843 173.135 174.900 0.129 0.000 1.202 1141 G CA -0.349 44.847 45.100 0.160 0.000 0.851 1141 G HN 0.308 nan 8.290 nan 0.000 0.556 1142 P HA 0.307 nan 4.420 nan 0.000 0.279 1142 P C -0.859 176.413 177.300 -0.046 0.000 1.252 1142 P CA -0.580 62.532 63.100 0.021 0.000 0.811 1142 P CB 1.618 33.331 31.700 0.022 0.000 1.035 1143 L N 2.615 123.768 121.223 -0.117 0.000 2.325 1143 L HA 0.470 4.810 4.340 0.000 0.000 0.281 1143 L C 0.053 176.840 176.870 -0.138 0.000 1.004 1143 L CA -0.524 54.181 54.840 -0.226 0.000 0.823 1143 L CB 0.833 42.561 42.059 -0.553 0.000 1.236 1143 L HN 0.358 nan 8.230 nan 0.000 0.415 1144 L N 3.160 124.353 121.223 -0.050 0.000 2.330 1144 L HA 0.606 4.946 4.340 0.000 0.000 0.271 1144 L C 0.302 177.225 176.870 0.088 0.000 1.013 1144 L CA -0.776 54.079 54.840 0.024 0.000 0.816 1144 L CB 2.187 44.275 42.059 0.048 0.000 1.287 1144 L HN 0.658 nan 8.230 nan 0.000 0.435 1145 C N -0.291 119.057 119.300 0.079 0.000 2.362 1145 C HA 0.488 4.948 4.460 0.000 0.000 0.363 1145 C C -1.208 173.860 174.990 0.131 0.000 1.220 1145 C CA -1.442 57.640 59.018 0.107 0.000 2.379 1145 C CB 1.252 29.041 27.740 0.082 0.000 2.351 1145 C HN 0.667 nan 8.230 nan 0.000 0.582 1146 P HA -0.112 nan 4.420 nan 0.000 0.218 1146 P C 1.304 178.569 177.300 -0.058 0.000 1.146 1146 P CA 2.011 65.151 63.100 0.067 0.000 0.820 1146 P CB -0.153 31.605 31.700 0.096 0.000 0.778 1147 S N -1.806 113.859 115.700 -0.060 0.000 2.650 1147 S HA 0.295 4.765 4.470 0.000 0.000 0.219 1147 S C 1.567 175.921 174.600 -0.409 0.000 0.960 1147 S CA 0.423 58.514 58.200 -0.181 0.000 0.925 1147 S CB -0.999 62.151 63.200 -0.082 0.000 0.775 1147 S HN 0.337 nan 8.310 nan 0.000 0.525 1148 G N 1.297 109.944 108.800 -0.255 0.000 2.179 1148 G HA2 -0.269 3.691 3.960 0.000 0.000 0.257 1148 G HA3 -0.269 3.691 3.960 0.000 0.000 0.257 1148 G C -0.181 174.572 174.900 -0.246 0.000 1.010 1148 G CA 0.147 45.105 45.100 -0.238 0.000 0.736 1148 G HN 0.682 nan 8.290 nan 0.000 0.513 1149 H N -0.153 118.920 119.070 0.005 0.000 2.483 1149 H HA 0.644 5.200 4.556 0.000 0.000 0.338 1149 H C 0.728 176.055 175.328 -0.002 0.000 1.152 1149 H CA -0.343 55.707 56.048 0.004 0.000 1.264 1149 H CB 1.474 31.240 29.762 0.006 0.000 1.510 1149 H HN 0.477 nan 8.280 nan 0.000 0.530 1150 A N 2.005 124.910 122.820 0.140 0.000 2.451 1150 A HA 0.201 4.521 4.320 0.000 0.000 0.266 1150 A C 0.691 178.285 177.584 0.016 0.000 1.119 1150 A CA -0.364 51.704 52.037 0.051 0.000 0.786 1150 A CB 0.014 19.041 19.000 0.044 0.000 1.061 1150 A HN 0.612 nan 8.150 nan 0.000 0.503 1151 V N 2.467 122.359 119.914 -0.036 0.000 3.263 1151 V HA 0.448 4.568 4.120 0.000 0.000 0.248 1151 V C 1.239 177.298 176.094 -0.058 0.000 1.145 1151 V CA 1.159 63.426 62.300 -0.056 0.000 1.107 1151 V CB -0.428 31.321 31.823 -0.124 0.000 0.797 1151 V HN 1.332 nan 8.190 nan 0.000 0.467 1152 G N 0.309 109.043 108.800 -0.111 0.000 2.322 1152 G HA2 0.458 4.419 3.960 0.000 0.000 0.295 1152 G HA3 0.458 4.419 3.960 0.000 0.000 0.295 1152 G C -1.769 173.128 174.900 -0.006 0.000 1.369 1152 G CA -0.341 44.757 45.100 -0.003 0.000 0.821 1152 G HN 0.323 nan 8.290 nan 0.000 0.536 1153 I N -2.147 118.485 120.570 0.103 0.000 2.441 1153 I HA 0.802 4.972 4.170 0.000 0.000 0.295 1153 I C -0.350 175.924 176.117 0.262 0.000 0.994 1153 I CA -1.168 60.213 61.300 0.135 0.000 1.144 1153 I CB 1.841 39.907 38.000 0.110 0.000 1.314 1153 I HN 0.391 nan 8.210 nan 0.000 0.445 1154 F N 5.979 125.980 119.950 0.085 0.000 2.608 1154 F HA 0.224 4.751 4.527 0.000 0.000 0.380 1154 F C 0.946 176.825 175.800 0.132 0.000 1.083 1154 F CA 0.274 58.345 58.000 0.119 0.000 1.266 1154 F CB 0.495 39.536 39.000 0.068 0.000 1.076 1154 F HN 0.677 nan 8.300 nan 0.000 0.574 1155 R N 2.856 123.222 120.500 -0.224 0.000 2.306 1155 R HA 0.554 4.894 4.340 0.000 0.000 0.183 1155 R C -0.648 175.428 176.300 -0.373 0.000 0.937 1155 R CA 0.590 56.566 56.100 -0.207 0.000 1.118 1155 R CB 0.591 30.874 30.300 -0.028 0.000 1.224 1155 R HN 0.674 nan 8.270 nan 0.000 0.597 1156 A N 0.100 122.664 122.820 -0.427 0.000 2.593 1156 A HA 0.778 5.098 4.320 0.000 0.000 0.290 1156 A C -1.750 175.778 177.584 -0.093 0.000 1.126 1156 A CA -0.384 51.479 52.037 -0.290 0.000 0.695 1156 A CB 1.560 20.482 19.000 -0.129 0.000 1.290 1156 A HN 0.239 nan 8.150 nan 0.000 0.414 1157 A N -0.139 122.694 122.820 0.022 0.000 2.350 1157 A HA 0.688 5.008 4.320 0.000 0.000 0.324 1157 A C -0.941 176.691 177.584 0.080 0.000 1.118 1157 A CA -0.479 51.655 52.037 0.161 0.000 0.783 1157 A CB 1.204 20.323 19.000 0.198 0.000 1.236 1157 A HN 1.342 nan 8.150 nan 0.000 0.457 1158 V N 1.826 121.787 119.914 0.078 0.000 2.333 1158 V HA 0.306 4.426 4.120 0.000 0.000 0.274 1158 V C -0.208 175.886 176.094 -0.000 0.000 1.028 1158 V CA -0.416 61.897 62.300 0.022 0.000 0.851 1158 V CB 0.246 32.082 31.823 0.022 0.000 1.000 1158 V HN 0.991 nan 8.190 nan 0.000 0.456 1159 C N 3.207 122.478 119.300 -0.048 0.000 2.399 1159 C HA 0.780 5.240 4.460 0.000 0.000 0.348 1159 C C 0.615 175.536 174.990 -0.114 0.000 1.183 1159 C CA -0.468 58.511 59.018 -0.065 0.000 2.023 1159 C CB 1.740 29.444 27.740 -0.061 0.000 2.361 1159 C HN 0.806 nan 8.230 nan 0.000 0.521 1160 T N 1.711 116.213 114.554 -0.088 0.000 2.930 1160 T HA 0.393 4.743 4.350 0.000 0.000 0.313 1160 T C -0.034 174.615 174.700 -0.085 0.000 1.019 1160 T CA -0.434 61.607 62.100 -0.099 0.000 1.004 1160 T CB 0.454 69.283 68.868 -0.065 0.000 0.987 1160 T HN 0.737 nan 8.240 nan 0.000 0.456 1161 R N 2.023 122.454 120.500 -0.116 0.000 3.405 1161 R HA -0.250 4.090 4.340 0.000 0.000 0.258 1161 R C 1.265 177.538 176.300 -0.046 0.000 1.030 1161 R CA 0.854 56.907 56.100 -0.079 0.000 0.691 1161 R CB -1.838 28.432 30.300 -0.050 0.000 1.093 1161 R HN 1.246 nan 8.270 nan 0.000 0.448 1162 G N -1.749 107.019 108.800 -0.054 0.000 2.205 1162 G HA2 -0.334 3.626 3.960 0.000 0.000 0.261 1162 G HA3 -0.334 3.626 3.960 0.000 0.000 0.261 1162 G C 0.186 175.091 174.900 0.008 0.000 0.980 1162 G CA 0.119 45.212 45.100 -0.010 0.000 0.632 1162 G HN 0.295 nan 8.290 nan 0.000 0.533 1163 V N 1.530 121.442 119.914 -0.003 0.000 2.407 1163 V HA 0.709 4.829 4.120 0.000 0.000 0.278 1163 V C 0.898 177.003 176.094 0.019 0.000 1.037 1163 V CA -0.271 62.038 62.300 0.013 0.000 0.900 1163 V CB 1.426 33.251 31.823 0.002 0.000 0.983 1163 V HN 1.071 nan 8.190 nan 0.000 0.459 1164 A N 5.389 128.240 122.820 0.051 0.000 2.451 1164 A HA 0.337 4.657 4.320 0.000 0.000 0.266 1164 A C 1.116 178.730 177.584 0.050 0.000 1.119 1164 A CA -0.096 51.982 52.037 0.068 0.000 0.786 1164 A CB 0.087 19.161 19.000 0.122 0.000 1.061 1164 A HN 0.962 nan 8.150 nan 0.000 0.503 1165 K N 2.084 122.506 120.400 0.037 0.000 2.350 1165 K HA 0.478 4.798 4.320 0.000 0.000 0.196 1165 K C 0.353 176.974 176.600 0.036 0.000 1.084 1165 K CA 1.042 57.344 56.287 0.025 0.000 0.967 1165 K CB 0.453 32.956 32.500 0.006 0.000 0.950 1165 K HN 0.772 nan 8.250 nan 0.000 0.512 1166 A N 1.376 124.230 122.820 0.056 0.000 2.556 1166 A HA 0.576 4.896 4.320 0.000 0.000 0.294 1166 A C -0.893 176.772 177.584 0.135 0.000 1.091 1166 A CA -0.555 51.528 52.037 0.076 0.000 0.704 1166 A CB 1.800 20.834 19.000 0.057 0.000 1.300 1166 A HN 0.156 nan 8.150 nan 0.000 0.406 1167 V N -1.238 118.788 119.914 0.188 0.000 2.815 1167 V HA 0.785 4.905 4.120 0.000 0.000 0.314 1167 V C -0.765 175.524 176.094 0.326 0.000 1.064 1167 V CA -0.672 61.832 62.300 0.340 0.000 0.952 1167 V CB 1.638 33.697 31.823 0.392 0.000 1.020 1167 V HN 0.878 nan 8.190 nan 0.000 0.439 1168 D N 2.034 122.619 120.400 0.308 0.000 2.278 1168 D HA 0.734 5.374 4.640 0.000 0.000 0.245 1168 D C -0.842 175.597 176.300 0.231 0.000 1.052 1168 D CA -0.323 53.755 54.000 0.130 0.000 0.834 1168 D CB 1.486 42.291 40.800 0.009 0.000 1.194 1168 D HN 0.685 nan 8.370 nan 0.000 0.481 1169 F N 0.859 120.852 119.950 0.072 0.000 2.643 1169 F HA 0.605 5.132 4.527 0.000 0.000 0.314 1169 F C -1.437 174.366 175.800 0.004 0.000 1.096 1169 F CA -1.337 56.701 58.000 0.063 0.000 0.953 1169 F CB 0.794 39.861 39.000 0.112 0.000 1.345 1169 F HN 0.008 nan 8.300 nan 0.000 0.468 1170 V N 3.627 123.659 119.914 0.197 0.000 2.356 1170 V HA 0.290 4.410 4.120 0.000 0.000 0.258 1170 V C -2.019 174.165 176.094 0.150 0.000 1.065 1170 V CA -1.626 60.705 62.300 0.050 0.000 0.935 1170 V CB 0.071 31.885 31.823 -0.015 0.000 1.061 1170 V HN 0.553 nan 8.190 nan 0.000 0.484 1171 P HA 0.005 nan 4.420 nan 0.000 0.268 1171 P C 1.101 178.402 177.300 0.002 0.000 1.205 1171 P CA 0.306 63.508 63.100 0.171 0.000 0.771 1171 P CB 1.479 33.221 31.700 0.069 0.000 0.858 1172 V N 3.204 123.110 119.914 -0.013 0.000 2.546 1172 V HA -0.273 3.847 4.120 0.000 0.000 0.254 1172 V C 2.208 178.216 176.094 -0.143 0.000 1.076 1172 V CA 2.383 64.612 62.300 -0.117 0.000 1.087 1172 V CB -0.981 30.799 31.823 -0.073 0.000 0.674 1172 V HN 0.615 nan 8.190 nan 0.000 0.470 1173 E N -0.203 119.945 120.200 -0.086 0.000 2.110 1173 E HA -0.181 4.170 4.350 0.000 0.000 0.193 1173 E C 2.176 178.703 176.600 -0.123 0.000 0.988 1173 E CA 1.636 57.984 56.400 -0.086 0.000 0.804 1173 E CB -0.868 28.800 29.700 -0.052 0.000 0.745 1173 E HN 0.636 nan 8.360 nan 0.000 0.458 1174 S N 0.738 116.355 115.700 -0.139 0.000 2.474 1174 S HA 0.015 4.485 4.470 0.000 0.000 0.235 1174 S C 1.912 176.363 174.600 -0.249 0.000 0.997 1174 S CA 0.990 59.094 58.200 -0.160 0.000 0.949 1174 S CB -0.202 62.911 63.200 -0.145 0.000 0.766 1174 S HN 0.262 nan 8.310 nan 0.000 0.517 1175 M N 0.591 119.978 119.600 -0.355 0.000 2.287 1175 M HA 0.024 4.504 4.480 0.000 0.000 0.266 1175 M C 2.053 178.149 176.300 -0.340 0.000 1.079 1175 M CA 0.959 55.901 55.300 -0.596 0.000 1.146 1175 M CB -0.301 31.731 32.600 -0.948 0.000 1.374 1175 M HN 0.216 nan 8.290 nan 0.000 0.435 1176 E N 0.276 120.350 120.200 -0.210 0.000 2.007 1176 E HA -0.154 4.196 4.350 0.000 0.000 0.194 1176 E C 1.935 178.470 176.600 -0.107 0.000 0.999 1176 E CA 1.955 58.285 56.400 -0.116 0.000 0.811 1176 E CB -0.229 29.423 29.700 -0.080 0.000 0.762 1176 E HN 0.370 nan 8.360 nan 0.000 0.450 1177 T N 0.343 114.836 114.554 -0.102 0.000 2.620 1177 T HA -0.242 4.108 4.350 0.000 0.000 0.267 1177 T C 2.057 176.707 174.700 -0.083 0.000 1.044 1177 T CA 1.944 63.996 62.100 -0.078 0.000 1.161 1177 T CB -0.617 68.207 68.868 -0.075 0.000 0.862 1177 T HN 0.184 nan 8.240 nan 0.000 0.438 1178 T N 1.560 116.041 114.554 -0.121 0.000 2.759 1178 T HA 0.004 4.354 4.350 0.000 0.000 0.269 1178 T C 1.968 176.574 174.700 -0.158 0.000 1.042 1178 T CA 1.062 63.100 62.100 -0.102 0.000 1.140 1178 T CB -0.317 68.487 68.868 -0.106 0.000 0.864 1178 T HN 0.348 nan 8.240 nan 0.000 0.455 1179 M N 0.023 119.469 119.600 -0.256 0.000 2.319 1179 M HA 0.031 4.511 4.480 0.000 0.000 0.265 1179 M C 2.251 178.538 176.300 -0.022 0.000 1.068 1179 M CA 1.273 56.339 55.300 -0.390 0.000 1.118 1179 M CB -0.141 32.317 32.600 -0.237 0.000 1.395 1179 M HN 0.040 nan 8.290 nan 0.000 0.435 1180 R N -0.551 119.937 120.500 -0.020 0.000 2.275 1180 R HA 0.138 4.478 4.340 0.000 0.000 0.199 1180 R C 0.730 177.043 176.300 0.021 0.000 0.989 1180 R CA -0.063 56.044 56.100 0.012 0.000 1.016 1180 R CB 0.038 30.331 30.300 -0.011 0.000 0.918 1180 R HN 0.127 nan 8.270 nan 0.000 0.473 1181 S N 2.183 117.901 115.700 0.030 0.000 2.552 1181 S HA 0.063 4.533 4.470 0.000 0.000 0.289 1181 S C -2.157 172.462 174.600 0.031 0.000 1.304 1181 S CA -1.199 57.018 58.200 0.029 0.000 1.063 1181 S CB 0.553 63.780 63.200 0.044 0.000 0.848 1181 S HN 0.026 nan 8.310 nan 0.000 0.499 1182 P HA 0.174 nan 4.420 nan 0.000 0.268 1182 P C -1.176 176.119 177.300 -0.007 0.000 1.204 1182 P CA -0.081 63.000 63.100 -0.031 0.000 0.768 1182 P CB 0.418 32.100 31.700 -0.029 0.000 0.842 1183 V N 5.706 125.589 119.914 -0.051 0.000 2.675 1183 V HA 0.177 4.297 4.120 0.000 0.000 0.266 1183 V C -0.349 175.797 176.094 0.086 0.000 0.974 1183 V CA -0.243 62.078 62.300 0.035 0.000 0.890 1183 V CB 0.718 32.573 31.823 0.053 0.000 1.055 1183 V HN 0.599 nan 8.190 nan 0.000 0.477 1184 F N 1.765 121.713 119.950 -0.003 0.000 3.087 1184 F HA 0.287 4.814 4.527 0.000 0.000 0.371 1184 F C 0.606 176.402 175.800 -0.007 0.000 1.144 1184 F CA -0.100 57.895 58.000 -0.009 0.000 1.030 1184 F CB -0.931 38.063 39.000 -0.011 0.000 1.366 1184 F HN 0.310 nan 8.300 nan 0.000 0.522 1185 T N 3.710 118.586 114.554 0.537 0.000 2.190 1185 T HA -0.164 4.187 4.350 0.000 0.000 0.175 1185 T C -0.348 174.411 174.700 0.100 0.000 1.091 1185 T CA 1.379 63.652 62.100 0.289 0.000 1.860 1185 T CB -1.012 67.939 68.868 0.139 0.000 0.973 1185 T HN 0.549 nan 8.240 nan 0.000 0.415 1186 D N 4.378 124.792 120.400 0.023 0.000 2.427 1186 D HA 0.229 4.869 4.640 0.000 0.000 0.226 1186 D C 0.497 176.765 176.300 -0.053 0.000 1.076 1186 D CA -0.775 53.176 54.000 -0.081 0.000 0.849 1186 D CB 0.276 40.943 40.800 -0.221 0.000 1.052 1186 D HN 0.742 nan 8.370 nan 0.000 0.515 1187 N N 1.880 120.538 118.700 -0.070 0.000 2.553 1187 N HA 0.037 4.777 4.740 0.000 0.000 0.298 1187 N C -0.449 175.009 175.510 -0.086 0.000 1.596 1187 N CA -0.531 52.461 53.050 -0.097 0.000 0.910 1187 N CB 0.654 39.040 38.487 -0.169 0.000 1.336 1187 N HN 0.035 nan 8.380 nan 0.000 0.497 1188 S N 0.058 115.725 115.700 -0.055 0.000 2.710 1188 S HA 0.128 4.598 4.470 0.000 0.000 0.224 1188 S C 0.163 174.738 174.600 -0.041 0.000 0.948 1188 S CA -0.359 57.822 58.200 -0.032 0.000 0.949 1188 S CB 0.036 63.218 63.200 -0.032 0.000 0.778 1188 S HN 0.289 nan 8.310 nan 0.000 0.498 1189 S N 3.044 118.714 115.700 -0.051 0.000 2.526 1189 S HA 0.457 4.927 4.470 0.000 0.000 0.293 1189 S C -2.942 171.620 174.600 -0.064 0.000 1.092 1189 S CA -1.487 56.677 58.200 -0.059 0.000 0.980 1189 S CB 1.371 64.537 63.200 -0.057 0.000 1.048 1189 S HN 0.066 nan 8.310 nan 0.000 0.483 1190 P HA 0.104 nan 4.420 nan 0.000 0.256 1190 P C -2.372 174.906 177.300 -0.037 0.000 1.189 1190 P CA -0.685 62.349 63.100 -0.109 0.000 0.808 1190 P CB -1.189 30.319 31.700 -0.319 0.000 0.793 1191 P HA -0.035 nan 4.420 nan 0.000 0.266 1191 P C -0.001 177.335 177.300 0.061 0.000 1.186 1191 P CA 0.226 63.332 63.100 0.009 0.000 0.767 1191 P CB 0.517 32.198 31.700 -0.032 0.000 0.820 1192 A N 2.856 125.685 122.820 0.015 0.000 2.388 1192 A HA 0.343 4.663 4.320 0.000 0.000 0.257 1192 A C 0.352 177.918 177.584 -0.030 0.000 1.095 1192 A CA -0.646 51.410 52.037 0.032 0.000 0.791 1192 A CB 0.262 19.269 19.000 0.012 0.000 1.029 1192 A HN 0.522 nan 8.150 nan 0.000 0.489 1193 V N 3.315 123.180 119.914 -0.081 0.000 2.572 1193 V HA 0.439 4.559 4.120 0.000 0.000 0.291 1193 V C -1.873 174.148 176.094 -0.123 0.000 1.039 1193 V CA -1.308 60.849 62.300 -0.237 0.000 1.055 1193 V CB 0.370 31.860 31.823 -0.556 0.000 0.969 1193 V HN 0.854 nan 8.190 nan 0.000 0.482 1194 P HA 0.201 nan 4.420 nan 0.000 0.277 1194 P C 0.391 177.670 177.300 -0.036 0.000 1.271 1194 P CA -0.293 62.762 63.100 -0.076 0.000 0.795 1194 P CB 0.816 32.453 31.700 -0.106 0.000 1.101 1195 Q N -0.329 119.464 119.800 -0.012 0.000 2.172 1195 Q HA 0.017 4.357 4.340 0.000 0.000 0.200 1195 Q C 0.197 176.208 176.000 0.017 0.000 0.964 1195 Q CA 1.291 57.101 55.803 0.011 0.000 0.855 1195 Q CB -0.424 28.320 28.738 0.012 0.000 0.918 1195 Q HN 0.316 nan 8.270 nan 0.000 0.444 1196 S N -0.425 115.280 115.700 0.008 0.000 2.570 1196 S HA 0.480 4.950 4.470 0.000 0.000 0.286 1196 S C -1.280 173.344 174.600 0.039 0.000 1.099 1196 S CA -0.843 57.382 58.200 0.041 0.000 0.913 1196 S CB 0.675 63.900 63.200 0.041 0.000 1.085 1196 S HN 0.326 nan 8.310 nan 0.000 0.480 1197 F N 3.845 123.774 119.950 -0.035 0.000 2.623 1197 F HA 0.167 4.694 4.527 0.000 0.000 0.386 1197 F C 0.356 176.125 175.800 -0.051 0.000 1.068 1197 F CA 1.016 58.987 58.000 -0.048 0.000 1.265 1197 F CB 0.249 39.225 39.000 -0.040 0.000 1.026 1197 F HN 0.569 nan 8.300 nan 0.000 0.568 1198 Q N 4.383 123.564 119.800 -1.033 0.000 2.418 1198 Q HA 0.637 4.977 4.340 0.000 0.000 0.282 1198 Q C -2.282 173.174 176.000 -0.908 0.000 1.044 1198 Q CA -1.162 54.221 55.803 -0.700 0.000 0.813 1198 Q CB 1.980 30.512 28.738 -0.343 0.000 1.428 1198 Q HN 0.408 nan 8.270 nan 0.000 0.402 1199 V N 1.450 121.059 119.914 -0.507 0.000 2.427 1199 V HA 0.842 4.962 4.120 0.000 0.000 0.286 1199 V C -0.334 175.568 176.094 -0.320 0.000 1.034 1199 V CA -0.091 61.978 62.300 -0.385 0.000 0.893 1199 V CB 0.950 32.644 31.823 -0.214 0.000 0.982 1199 V HN 0.876 nan 8.190 nan 0.000 0.452 1200 A N 4.152 126.772 122.820 -0.332 0.000 2.423 1200 A HA 0.824 5.144 4.320 0.000 0.000 0.304 1200 A C -0.770 176.601 177.584 -0.354 0.000 1.104 1200 A CA -0.651 51.230 52.037 -0.260 0.000 0.757 1200 A CB 1.296 20.188 19.000 -0.181 0.000 1.313 1200 A HN 0.857 nan 8.150 nan 0.000 0.423 1201 H N -0.020 118.965 119.070 -0.143 0.000 2.533 1201 H HA 0.627 5.183 4.556 0.000 0.000 0.343 1201 H C -1.507 173.687 175.328 -0.224 0.000 1.160 1201 H CA -0.440 55.504 56.048 -0.173 0.000 1.218 1201 H CB 1.982 31.576 29.762 -0.280 0.000 1.566 1201 H HN 0.467 nan 8.280 nan 0.000 0.522 1202 L N 3.408 124.606 121.223 -0.042 0.000 2.529 1202 L HA 0.213 4.553 4.340 0.000 0.000 0.260 1202 L C -1.537 175.413 176.870 0.134 0.000 0.997 1202 L CA -0.437 54.386 54.840 -0.028 0.000 0.885 1202 L CB 0.489 42.555 42.059 0.011 0.000 1.185 1202 L HN 0.532 nan 8.230 nan 0.000 0.442 1203 H N 4.281 123.369 119.070 0.031 0.000 2.597 1203 H HA 0.872 5.428 4.556 0.000 0.000 0.303 1203 H C -0.330 174.995 175.328 -0.005 0.000 1.057 1203 H CA -0.207 55.850 56.048 0.015 0.000 1.261 1203 H CB 1.361 31.123 29.762 0.000 0.000 1.397 1203 H HN 0.721 nan 8.280 nan 0.000 0.461 1204 A N 4.958 127.846 122.820 0.114 0.000 2.486 1204 A HA 0.593 4.913 4.320 0.000 0.000 0.300 1204 A C -2.858 174.743 177.584 0.028 0.000 1.048 1204 A CA -1.843 50.223 52.037 0.048 0.000 0.696 1204 A CB 1.379 20.396 19.000 0.029 0.000 1.278 1204 A HN 0.338 nan 8.150 nan 0.000 0.405 1205 P HA 0.107 nan 4.420 nan 0.000 0.269 1205 P C 0.103 177.409 177.300 0.011 0.000 1.211 1205 P CA 0.407 63.503 63.100 -0.007 0.000 0.781 1205 P CB 0.272 31.956 31.700 -0.026 0.000 0.877 1206 T N 1.899 116.462 114.554 0.016 0.000 2.902 1206 T HA 0.325 4.675 4.350 0.000 0.000 0.301 1206 T C 1.295 176.015 174.700 0.033 0.000 1.012 1206 T CA 1.562 63.681 62.100 0.032 0.000 1.151 1206 T CB -0.540 68.353 68.868 0.041 0.000 0.946 1206 T HN 0.822 nan 8.240 nan 0.000 0.542 1207 G N 2.648 111.466 108.800 0.030 0.000 2.132 1207 G HA2 -0.274 3.687 3.960 0.000 0.000 0.234 1207 G HA3 -0.274 3.687 3.960 0.000 0.000 0.234 1207 G C 0.955 175.873 174.900 0.031 0.000 0.989 1207 G CA 0.239 45.355 45.100 0.026 0.000 0.676 1207 G HN 0.684 nan 8.290 nan 0.000 0.522 1208 S N -0.357 115.360 115.700 0.027 0.000 2.593 1208 S HA 0.405 4.875 4.470 0.000 0.000 0.217 1208 S C 1.941 176.559 174.600 0.030 0.000 0.966 1208 S CA 1.206 59.420 58.200 0.022 0.000 0.914 1208 S CB 0.158 63.365 63.200 0.011 0.000 0.776 1208 S HN 2.206 nan 8.310 nan 0.000 0.523 1209 G N 1.930 110.755 108.800 0.042 0.000 2.165 1209 G HA2 -0.246 3.714 3.960 0.000 0.000 0.226 1209 G HA3 -0.246 3.714 3.960 0.000 0.000 0.226 1209 G C 0.589 175.503 174.900 0.023 0.000 1.035 1209 G CA 0.299 45.432 45.100 0.056 0.000 0.744 1209 G HN 0.453 nan 8.290 nan 0.000 0.501 1210 K N 0.304 120.716 120.400 0.020 0.000 2.211 1210 K HA 0.007 4.327 4.320 0.000 0.000 0.203 1210 K C 2.443 179.038 176.600 -0.008 0.000 1.050 1210 K CA 1.619 57.911 56.287 0.007 0.000 0.945 1210 K CB -0.055 32.463 32.500 0.030 0.000 0.732 1210 K HN 0.658 nan 8.250 nan 0.000 0.451 1211 S N -1.312 114.384 115.700 -0.007 0.000 2.559 1211 S HA 0.068 4.538 4.470 0.000 0.000 0.226 1211 S C 1.283 175.843 174.600 -0.067 0.000 1.000 1211 S CA 0.226 58.382 58.200 -0.074 0.000 0.948 1211 S CB 0.449 63.583 63.200 -0.109 0.000 0.870 1211 S HN 0.272 nan 8.310 nan 0.000 0.497 1212 T N -0.492 114.076 114.554 0.023 0.000 3.388 1212 T HA 0.353 4.703 4.350 0.000 0.000 0.254 1212 T C 1.511 176.201 174.700 -0.015 0.000 1.002 1212 T CA -0.068 62.105 62.100 0.122 0.000 1.164 1212 T CB -0.341 68.717 68.868 0.316 0.000 1.184 1212 T HN 0.094 nan 8.240 nan 0.000 0.399 1213 K N 0.912 121.328 120.400 0.025 0.000 2.026 1213 K HA 0.000 4.321 4.320 0.000 0.000 0.208 1213 K C 2.282 178.774 176.600 -0.181 0.000 1.048 1213 K CA 1.442 57.668 56.287 -0.102 0.000 0.929 1213 K CB -0.527 32.005 32.500 0.054 0.000 0.713 1213 K HN 0.171 nan 8.250 nan 0.000 0.439 1214 V N 1.803 121.638 119.914 -0.132 0.000 2.237 1214 V HA -0.202 3.918 4.120 0.000 0.000 0.245 1214 V C -1.095 174.885 176.094 -0.191 0.000 1.046 1214 V CA 1.987 64.161 62.300 -0.210 0.000 1.007 1214 V CB -1.175 30.564 31.823 -0.139 0.000 0.638 1214 V HN 0.332 nan 8.190 nan 0.000 0.445 1215 P HA -0.163 nan 4.420 nan 0.000 0.218 1215 P C 1.572 178.864 177.300 -0.013 0.000 1.148 1215 P CA 2.194 65.310 63.100 0.026 0.000 0.822 1215 P CB -0.092 31.552 31.700 -0.092 0.000 0.784 1216 A N 0.823 123.560 122.820 -0.139 0.000 1.877 1216 A HA -0.074 4.246 4.320 0.000 0.000 0.216 1216 A C 2.537 180.062 177.584 -0.098 0.000 1.186 1216 A CA 2.326 54.255 52.037 -0.179 0.000 0.620 1216 A CB -1.592 17.072 19.000 -0.561 0.000 0.822 1216 A HN 0.229 nan 8.150 nan 0.000 0.443 1217 A N -1.557 121.176 122.820 -0.146 0.000 1.933 1217 A HA -0.087 4.233 4.320 0.000 0.000 0.218 1217 A C 2.098 179.671 177.584 -0.017 0.000 1.175 1217 A CA 1.664 53.631 52.037 -0.116 0.000 0.628 1217 A CB -0.777 18.094 19.000 -0.216 0.000 0.814 1217 A HN 0.555 nan 8.150 nan 0.000 0.444 1218 Y N -0.184 120.116 120.300 -0.001 0.000 2.181 1218 Y HA -0.068 4.482 4.550 0.000 0.000 0.288 1218 Y C 2.929 178.918 175.900 0.150 0.000 1.146 1218 Y CA 0.538 58.685 58.100 0.079 0.000 1.164 1218 Y CB -0.850 37.608 38.460 -0.004 0.000 0.982 1218 Y HN 0.324 nan 8.280 nan 0.000 0.515 1219 A N -0.290 122.666 122.820 0.227 0.000 1.969 1219 A HA -0.046 4.274 4.320 0.000 0.000 0.218 1219 A C 2.426 180.058 177.584 0.079 0.000 1.169 1219 A CA 1.493 53.611 52.037 0.134 0.000 0.635 1219 A CB -1.076 17.968 19.000 0.074 0.000 0.810 1219 A HN 0.370 nan 8.150 nan 0.000 0.445 1220 A N -0.755 122.104 122.820 0.065 0.000 2.015 1220 A HA -0.154 4.166 4.320 0.000 0.000 0.219 1220 A C 1.901 179.497 177.584 0.020 0.000 1.163 1220 A CA 1.485 53.541 52.037 0.032 0.000 0.646 1220 A CB -0.383 18.630 19.000 0.021 0.000 0.806 1220 A HN 0.610 nan 8.150 nan 0.000 0.448 1221 Q N -1.471 118.365 119.800 0.060 0.000 2.373 1221 Q HA 0.300 4.640 4.340 0.000 0.000 0.206 1221 Q C 1.094 176.962 176.000 -0.220 0.000 0.942 1221 Q CA 0.446 56.248 55.803 -0.002 0.000 0.953 1221 Q CB 0.044 28.886 28.738 0.173 0.000 1.022 1221 Q HN 0.842 nan 8.270 nan 0.000 0.502 1222 G N -0.643 108.067 108.800 -0.151 0.000 2.175 1222 G HA2 -0.294 3.666 3.960 0.000 0.000 0.244 1222 G HA3 -0.294 3.666 3.960 0.000 0.000 0.244 1222 G C -0.277 174.470 174.900 -0.254 0.000 0.982 1222 G CA -0.213 44.746 45.100 -0.235 0.000 0.641 1222 G HN 0.328 nan 8.290 nan 0.000 0.527 1223 Y N 0.242 120.549 120.300 0.010 0.000 2.326 1223 Y HA 0.650 5.201 4.550 0.000 0.000 0.324 1223 Y C 0.879 176.773 175.900 -0.010 0.000 1.291 1223 Y CA -0.488 57.603 58.100 -0.014 0.000 1.348 1223 Y CB 0.749 39.178 38.460 -0.051 0.000 1.294 1223 Y HN -0.017 nan 8.280 nan 0.000 0.525 1224 K N 1.140 121.642 120.400 0.169 0.000 2.240 1224 K HA 0.545 4.865 4.320 0.000 0.000 0.271 1224 K C -1.477 175.238 176.600 0.191 0.000 1.018 1224 K CA -0.351 56.009 56.287 0.122 0.000 0.874 1224 K CB 1.117 33.626 32.500 0.016 0.000 1.098 1224 K HN 0.354 nan 8.250 nan 0.000 0.458 1225 V N 4.326 124.329 119.914 0.149 0.000 2.459 1225 V HA 0.397 4.518 4.120 0.000 0.000 0.295 1225 V C -0.938 175.062 176.094 -0.156 0.000 1.029 1225 V CA -1.056 61.243 62.300 -0.002 0.000 0.874 1225 V CB 1.471 33.238 31.823 -0.093 0.000 0.985 1225 V HN 0.511 nan 8.190 nan 0.000 0.438 1226 L N 6.298 127.254 121.223 -0.446 0.000 2.287 1226 L HA 0.692 5.032 4.340 0.000 0.000 0.287 1226 L C -0.482 176.044 176.870 -0.575 0.000 1.022 1226 L CA 0.041 54.407 54.840 -0.788 0.000 0.814 1226 L CB 1.652 42.938 42.059 -1.287 0.000 1.217 1226 L HN 0.490 nan 8.230 nan 0.000 0.420 1227 V N 6.147 125.706 119.914 -0.593 0.000 2.409 1227 V HA 0.467 4.587 4.120 0.000 0.000 0.291 1227 V C -0.416 175.416 176.094 -0.436 0.000 1.020 1227 V CA -0.719 61.277 62.300 -0.507 0.000 0.848 1227 V CB 1.365 32.807 31.823 -0.635 0.000 0.990 1227 V HN 0.459 nan 8.190 nan 0.000 0.430 1228 L N 4.456 125.386 121.223 -0.488 0.000 2.309 1228 L HA 0.604 4.945 4.340 0.000 0.000 0.282 1228 L C -0.154 176.325 176.870 -0.652 0.000 1.036 1228 L CA 0.002 54.403 54.840 -0.732 0.000 0.806 1228 L CB 1.317 42.676 42.059 -1.166 0.000 1.220 1228 L HN 0.841 nan 8.230 nan 0.000 0.429 1229 N N 2.699 121.079 118.700 -0.534 0.000 2.284 1229 N HA 0.592 5.333 4.740 0.000 0.000 0.289 1229 N C -2.324 173.164 175.510 -0.037 0.000 1.179 1229 N CA -1.147 51.818 53.050 -0.142 0.000 0.774 1229 N CB 2.767 41.332 38.487 0.129 0.000 1.548 1229 N HN 0.229 nan 8.380 nan 0.000 0.473 1230 P HA 0.091 nan 4.420 nan 0.000 0.251 1230 P C -0.480 176.877 177.300 0.094 0.000 1.223 1230 P CA 0.326 63.546 63.100 0.200 0.000 0.796 1230 P CB 0.421 32.221 31.700 0.168 0.000 1.068 1231 S N -0.258 115.482 115.700 0.067 0.000 2.429 1231 S HA 0.262 4.732 4.470 0.000 0.000 0.302 1231 S C 1.220 175.826 174.600 0.010 0.000 1.115 1231 S CA -0.621 57.599 58.200 0.035 0.000 1.095 1231 S CB 0.584 63.792 63.200 0.012 0.000 0.987 1231 S HN -0.254 nan 8.310 nan 0.000 0.474 1232 V N 5.728 125.650 119.914 0.013 0.000 2.343 1232 V HA -0.135 3.986 4.120 0.000 0.000 0.247 1232 V C 2.732 178.805 176.094 -0.035 0.000 1.051 1232 V CA 2.272 64.574 62.300 0.002 0.000 1.036 1232 V CB -1.389 30.442 31.823 0.014 0.000 0.654 1232 V HN 0.944 nan 8.190 nan 0.000 0.451 1233 A N 0.218 123.009 122.820 -0.049 0.000 1.877 1233 A HA -0.133 4.187 4.320 0.000 0.000 0.216 1233 A C 2.454 179.912 177.584 -0.212 0.000 1.186 1233 A CA 2.267 54.239 52.037 -0.109 0.000 0.620 1233 A CB -0.898 18.041 19.000 -0.101 0.000 0.822 1233 A HN 0.562 nan 8.150 nan 0.000 0.443 1234 A N -0.973 121.705 122.820 -0.236 0.000 1.858 1234 A HA -0.100 4.220 4.320 0.000 0.000 0.216 1234 A C 2.320 179.533 177.584 -0.619 0.000 1.190 1234 A CA 2.423 54.181 52.037 -0.465 0.000 0.617 1234 A CB -1.499 17.308 19.000 -0.321 0.000 0.827 1234 A HN 0.443 nan 8.150 nan 0.000 0.443 1235 T N 0.811 115.240 114.554 -0.208 0.000 2.653 1235 T HA -0.194 4.156 4.350 0.000 0.000 0.268 1235 T C 1.811 176.477 174.700 -0.057 0.000 1.035 1235 T CA 1.718 63.835 62.100 0.029 0.000 1.154 1235 T CB -0.536 68.395 68.868 0.105 0.000 0.862 1235 T HN 0.369 nan 8.240 nan 0.000 0.441 1236 L N 0.608 121.770 121.223 -0.102 0.000 2.042 1236 L HA -0.051 4.289 4.340 0.000 0.000 0.210 1236 L C 3.057 179.836 176.870 -0.151 0.000 1.076 1236 L CA 1.429 56.220 54.840 -0.081 0.000 0.749 1236 L CB -1.056 40.960 42.059 -0.073 0.000 0.893 1236 L HN 0.385 nan 8.230 nan 0.000 0.432 1237 G N -0.511 108.111 108.800 -0.297 0.000 2.462 1237 G HA2 -0.264 3.696 3.960 0.000 0.000 0.220 1237 G HA3 -0.264 3.696 3.960 0.000 0.000 0.220 1237 G C 1.282 175.986 174.900 -0.327 0.000 1.121 1237 G CA 0.326 45.220 45.100 -0.343 0.000 0.758 1237 G HN 0.207 nan 8.290 nan 0.000 0.559 1238 F N 1.807 121.599 119.950 -0.263 0.000 2.333 1238 F HA 0.061 4.589 4.527 0.000 0.000 0.300 1238 F C 2.696 178.384 175.800 -0.188 0.000 1.083 1238 F CA 0.276 58.035 58.000 -0.400 0.000 1.395 1238 F CB -0.724 37.575 39.000 -1.169 0.000 1.056 1238 F HN 0.166 nan 8.300 nan 0.000 0.529 1239 G N -0.138 108.689 108.800 0.046 0.000 2.511 1239 G HA2 -0.218 3.742 3.960 0.000 0.000 0.216 1239 G HA3 -0.218 3.742 3.960 0.000 0.000 0.216 1239 G C 1.964 176.909 174.900 0.076 0.000 1.218 1239 G CA 1.124 46.273 45.100 0.082 0.000 0.788 1239 G HN 0.440 nan 8.290 nan 0.000 0.560 1240 A N -0.093 122.753 122.820 0.043 0.000 1.845 1240 A HA -0.068 4.252 4.320 0.000 0.000 0.215 1240 A C 2.253 179.861 177.584 0.041 0.000 1.195 1240 A CA 1.871 53.923 52.037 0.026 0.000 0.616 1240 A CB -0.986 18.015 19.000 0.003 0.000 0.832 1240 A HN 0.494 nan 8.150 nan 0.000 0.443 1241 Y N -0.332 119.952 120.300 -0.027 0.000 2.102 1241 Y HA -0.310 4.240 4.550 0.000 0.000 0.280 1241 Y C 2.430 178.359 175.900 0.048 0.000 1.178 1241 Y CA 2.489 60.587 58.100 -0.003 0.000 1.146 1241 Y CB -0.204 38.256 38.460 0.001 0.000 0.968 1241 Y HN 0.231 nan 8.280 nan 0.000 0.504 1242 M N -0.756 118.984 119.600 0.234 0.000 2.117 1242 M HA -0.213 4.267 4.480 0.000 0.000 0.262 1242 M C 2.443 178.788 176.300 0.074 0.000 1.065 1242 M CA 1.581 57.019 55.300 0.231 0.000 1.114 1242 M CB -1.401 31.385 32.600 0.309 0.000 1.361 1242 M HN 0.222 nan 8.290 nan 0.000 0.408 1243 S N 0.216 115.941 115.700 0.042 0.000 2.359 1243 S HA -0.198 4.272 4.470 0.000 0.000 0.223 1243 S C 1.993 176.553 174.600 -0.068 0.000 1.039 1243 S CA 1.633 59.836 58.200 0.005 0.000 1.042 1243 S CB -0.173 63.030 63.200 0.004 0.000 0.915 1243 S HN 0.420 nan 8.310 nan 0.000 0.439 1244 K N 0.520 120.834 120.400 -0.143 0.000 2.062 1244 K HA 0.056 4.377 4.320 0.000 0.000 0.205 1244 K C 1.957 178.373 176.600 -0.307 0.000 1.051 1244 K CA 1.108 57.273 56.287 -0.202 0.000 0.941 1244 K CB -0.234 32.137 32.500 -0.215 0.000 0.719 1244 K HN 0.315 nan 8.250 nan 0.000 0.440 1245 A N -0.254 122.261 122.820 -0.508 0.000 2.132 1245 A HA -0.015 4.305 4.320 0.000 0.000 0.213 1245 A C 0.724 177.797 177.584 -0.852 0.000 1.154 1245 A CA 0.636 52.244 52.037 -0.714 0.000 0.753 1245 A CB -0.012 18.353 19.000 -1.058 0.000 0.826 1245 A HN 0.383 nan 8.150 nan 0.000 0.469 1246 H N -2.003 117.011 119.070 -0.094 0.000 3.394 1246 H HA 0.197 4.753 4.556 0.000 0.000 0.256 1246 H C 1.218 176.542 175.328 -0.008 0.000 1.180 1246 H CA 0.018 56.053 56.048 -0.023 0.000 1.064 1246 H CB -0.128 29.649 29.762 0.026 0.000 1.854 1246 H HN 0.506 nan 8.280 nan 0.000 0.731 1247 G N 2.186 111.008 108.800 0.036 0.000 2.416 1247 G HA2 -0.288 3.672 3.960 0.000 0.000 0.301 1247 G HA3 -0.288 3.672 3.960 0.000 0.000 0.301 1247 G C 0.126 175.067 174.900 0.068 0.000 0.985 1247 G CA 0.638 45.759 45.100 0.035 0.000 0.934 1247 G HN 0.393 nan 8.290 nan 0.000 0.513 1248 I N -0.258 120.375 120.570 0.103 0.000 2.433 1248 I HA 0.288 4.458 4.170 0.000 0.000 0.292 1248 I C -0.772 175.412 176.117 0.112 0.000 1.001 1248 I CA -0.725 60.640 61.300 0.109 0.000 1.119 1248 I CB 1.900 39.982 38.000 0.137 0.000 1.289 1248 I HN -0.120 nan 8.210 nan 0.000 0.438 1249 D N 8.104 128.560 120.400 0.093 0.000 2.479 1249 D HA 0.272 4.912 4.640 0.000 0.000 0.247 1249 D C -2.285 174.083 176.300 0.113 0.000 1.119 1249 D CA -1.171 52.885 54.000 0.094 0.000 0.922 1249 D CB 1.322 42.160 40.800 0.064 0.000 1.014 1249 D HN 0.202 nan 8.370 nan 0.000 0.510 1250 P HA 0.024 nan 4.420 nan 0.000 0.272 1250 P C -0.063 177.338 177.300 0.169 0.000 1.240 1250 P CA -0.403 62.813 63.100 0.192 0.000 0.791 1250 P CB 1.329 33.247 31.700 0.364 0.000 0.978 1251 N N 0.948 119.737 118.700 0.149 0.000 2.529 1251 N HA 0.277 5.017 4.740 0.000 0.000 0.278 1251 N C -0.244 175.367 175.510 0.168 0.000 1.146 1251 N CA -0.114 53.014 53.050 0.131 0.000 0.980 1251 N CB 0.667 39.223 38.487 0.115 0.000 1.124 1251 N HN 0.308 nan 8.380 nan 0.000 0.458 1252 I N 1.859 122.514 120.570 0.141 0.000 2.466 1252 I HA 0.346 4.516 4.170 0.000 0.000 0.289 1252 I C 0.019 176.200 176.117 0.107 0.000 1.026 1252 I CA -0.416 60.974 61.300 0.149 0.000 1.078 1252 I CB 1.598 39.672 38.000 0.122 0.000 1.249 1252 I HN 0.298 nan 8.210 nan 0.000 0.429 1253 R N 3.876 124.438 120.500 0.103 0.000 2.473 1253 R HA 0.602 4.942 4.340 0.000 0.000 0.303 1253 R C -0.474 175.865 176.300 0.065 0.000 1.002 1253 R CA -0.511 55.637 56.100 0.079 0.000 0.884 1253 R CB 2.432 32.780 30.300 0.081 0.000 1.173 1253 R HN 0.799 nan 8.270 nan 0.000 0.464 1254 T N -2.293 112.294 114.554 0.054 0.000 2.883 1254 T HA 0.364 4.714 4.350 0.000 0.000 0.296 1254 T C 1.072 175.794 174.700 0.036 0.000 1.117 1254 T CA -0.623 61.501 62.100 0.040 0.000 1.006 1254 T CB 1.915 70.803 68.868 0.032 0.000 1.191 1254 T HN 0.454 nan 8.240 nan 0.000 0.508 1255 G N -0.203 108.611 108.800 0.024 0.000 2.509 1255 G HA2 0.007 3.967 3.960 0.000 0.000 0.218 1255 G HA3 0.007 3.967 3.960 0.000 0.000 0.218 1255 G C 1.225 176.142 174.900 0.027 0.000 1.124 1255 G CA 1.027 46.140 45.100 0.021 0.000 0.776 1255 G HN 1.217 nan 8.290 nan 0.000 0.547 1256 V N -3.476 116.453 119.914 0.026 0.000 3.565 1256 V HA 0.498 4.619 4.120 0.000 0.000 0.260 1256 V C 0.635 176.748 176.094 0.032 0.000 1.231 1256 V CA 0.239 62.557 62.300 0.029 0.000 1.100 1256 V CB -0.112 31.726 31.823 0.026 0.000 0.807 1256 V HN 0.224 nan 8.190 nan 0.000 0.454 1257 R N 0.721 121.241 120.500 0.033 0.000 2.579 1257 R HA 0.513 4.853 4.340 0.000 0.000 0.260 1257 R C -1.467 174.859 176.300 0.043 0.000 1.103 1257 R CA 0.457 56.578 56.100 0.036 0.000 0.942 1257 R CB 2.017 32.335 30.300 0.029 0.000 1.251 1257 R HN 0.453 nan 8.270 nan 0.000 0.450 1258 T N 1.518 116.099 114.554 0.046 0.000 2.912 1258 T HA 0.632 4.982 4.350 0.000 0.000 0.299 1258 T C -0.413 174.319 174.700 0.053 0.000 1.052 1258 T CA -0.712 61.421 62.100 0.055 0.000 0.996 1258 T CB 1.360 70.262 68.868 0.057 0.000 1.070 1258 T HN 0.424 nan 8.240 nan 0.000 0.465 1259 I N 2.390 122.997 120.570 0.063 0.000 2.447 1259 I HA 0.366 4.536 4.170 0.000 0.000 0.287 1259 I C -0.287 175.869 176.117 0.065 0.000 1.023 1259 I CA -0.705 60.631 61.300 0.059 0.000 1.083 1259 I CB 2.426 40.463 38.000 0.062 0.000 1.245 1259 I HN 0.723 nan 8.210 nan 0.000 0.434 1260 T N 3.228 117.815 114.554 0.054 0.000 2.821 1260 T HA 0.177 4.527 4.350 0.000 0.000 0.307 1260 T C 1.051 175.779 174.700 0.046 0.000 1.034 1260 T CA -0.508 61.625 62.100 0.054 0.000 0.953 1260 T CB 0.890 69.785 68.868 0.045 0.000 0.968 1260 T HN 0.783 nan 8.240 nan 0.000 0.462 1261 T N -0.369 114.216 114.554 0.052 0.000 3.044 1261 T HA 0.334 4.684 4.350 0.000 0.000 0.255 1261 T C 1.831 176.552 174.700 0.034 0.000 1.073 1261 T CA 0.603 62.729 62.100 0.044 0.000 1.125 1261 T CB -0.015 68.885 68.868 0.053 0.000 0.908 1261 T HN 0.898 nan 8.240 nan 0.000 0.480 1262 G N 1.329 110.150 108.800 0.035 0.000 2.159 1262 G HA2 0.045 4.005 3.960 0.000 0.000 0.227 1262 G HA3 0.045 4.005 3.960 0.000 0.000 0.227 1262 G C 0.312 175.223 174.900 0.020 0.000 0.986 1262 G CA -0.061 45.050 45.100 0.019 0.000 0.651 1262 G HN 1.089 nan 8.290 nan 0.000 0.523 1263 A N 0.674 123.516 122.820 0.037 0.000 2.386 1263 A HA 0.671 4.991 4.320 0.000 0.000 0.246 1263 A C -0.039 177.568 177.584 0.037 0.000 1.089 1263 A CA -0.092 51.970 52.037 0.042 0.000 0.790 1263 A CB 0.444 19.482 19.000 0.063 0.000 1.042 1263 A HN 0.209 nan 8.150 nan 0.000 0.497 1264 P HA 0.137 nan 4.420 nan 0.000 0.249 1264 P C -0.440 176.897 177.300 0.062 0.000 1.229 1264 P CA 0.460 63.580 63.100 0.033 0.000 0.788 1264 P CB 0.120 31.835 31.700 0.025 0.000 1.072 1265 V N 0.090 120.031 119.914 0.046 0.000 2.531 1265 V HA 0.341 4.462 4.120 0.000 0.000 0.301 1265 V C -0.091 175.978 176.094 -0.042 0.000 1.034 1265 V CA -0.199 62.084 62.300 -0.028 0.000 0.865 1265 V CB 2.120 33.896 31.823 -0.079 0.000 0.995 1265 V HN -0.101 nan 8.190 nan 0.000 0.424 1266 T N 4.500 118.982 114.554 -0.119 0.000 2.829 1266 T HA 0.622 4.973 4.350 0.000 0.000 0.280 1266 T C -1.141 173.354 174.700 -0.342 0.000 0.999 1266 T CA -0.283 61.761 62.100 -0.094 0.000 0.983 1266 T CB 0.987 69.885 68.868 0.049 0.000 0.968 1266 T HN 0.439 nan 8.240 nan 0.000 0.446 1267 Y N 1.355 121.630 120.300 -0.041 0.000 2.328 1267 Y HA 0.585 5.135 4.550 0.000 0.000 0.336 1267 Y C 0.544 176.420 175.900 -0.040 0.000 0.960 1267 Y CA -0.396 57.663 58.100 -0.068 0.000 1.134 1267 Y CB 1.903 40.385 38.460 0.037 0.000 1.166 1267 Y HN 0.596 nan 8.280 nan 0.000 0.464 1268 S N 1.623 117.336 115.700 0.021 0.000 2.564 1268 S HA 0.564 5.034 4.470 0.000 0.000 0.274 1268 S C -0.627 173.909 174.600 -0.107 0.000 1.124 1268 S CA -0.767 57.421 58.200 -0.019 0.000 0.869 1268 S CB 0.998 64.171 63.200 -0.046 0.000 1.105 1268 S HN 0.665 nan 8.310 nan 0.000 0.472 1269 T N 1.559 116.082 114.554 -0.051 0.000 2.882 1269 T HA 0.399 4.749 4.350 0.000 0.000 0.287 1269 T C 0.741 175.382 174.700 -0.100 0.000 1.014 1269 T CA -0.210 61.841 62.100 -0.081 0.000 1.049 1269 T CB 0.270 69.144 68.868 0.011 0.000 1.001 1269 T HN 0.609 nan 8.240 nan 0.000 0.525 1270 Y N 1.259 121.555 120.300 -0.007 0.000 2.224 1270 Y HA 0.073 4.623 4.550 0.000 0.000 0.289 1270 Y C 2.779 178.702 175.900 0.038 0.000 1.146 1270 Y CA 1.631 59.738 58.100 0.012 0.000 1.182 1270 Y CB -0.978 37.456 38.460 -0.044 0.000 0.983 1270 Y HN 0.892 nan 8.280 nan 0.000 0.524 1271 G N -0.130 108.755 108.800 0.143 0.000 2.421 1271 G HA2 -0.311 3.649 3.960 0.000 0.000 0.216 1271 G HA3 -0.311 3.649 3.960 0.000 0.000 0.216 1271 G C 1.673 176.602 174.900 0.048 0.000 1.171 1271 G CA 1.232 46.372 45.100 0.066 0.000 0.775 1271 G HN 0.222 nan 8.290 nan 0.000 0.543 1272 K N 0.512 120.950 120.400 0.064 0.000 2.211 1272 K HA -0.007 4.313 4.320 0.000 0.000 0.203 1272 K C 1.945 178.590 176.600 0.075 0.000 1.050 1272 K CA 0.770 57.095 56.287 0.063 0.000 0.945 1272 K CB -0.693 31.842 32.500 0.058 0.000 0.732 1272 K HN 0.296 nan 8.250 nan 0.000 0.451 1273 F N 0.043 119.945 119.950 -0.080 0.000 2.206 1273 F HA -0.023 4.504 4.527 0.000 0.000 0.298 1273 F C 1.429 177.156 175.800 -0.122 0.000 1.090 1273 F CA 0.794 58.737 58.000 -0.095 0.000 1.323 1273 F CB -0.161 38.768 39.000 -0.119 0.000 1.028 1273 F HN -0.021 nan 8.300 nan 0.000 0.492 1274 L N 0.628 121.696 121.223 -0.258 0.000 2.093 1274 L HA 0.004 4.345 4.340 0.000 0.000 0.208 1274 L C 2.651 179.255 176.870 -0.443 0.000 1.085 1274 L CA 1.774 56.258 54.840 -0.593 0.000 0.755 1274 L CB -1.944 39.510 42.059 -1.008 0.000 0.904 1274 L HN 0.304 nan 8.230 nan 0.000 0.435 1275 A N -1.107 121.616 122.820 -0.162 0.000 1.968 1275 A HA -0.146 4.175 4.320 0.000 0.000 0.217 1275 A C 1.834 179.412 177.584 -0.011 0.000 1.169 1275 A CA 1.298 53.374 52.037 0.065 0.000 0.638 1275 A CB -0.405 18.687 19.000 0.154 0.000 0.812 1275 A HN 0.367 nan 8.150 nan 0.000 0.446 1276 D N -0.917 119.435 120.400 -0.080 0.000 2.378 1276 D HA 0.132 4.772 4.640 0.000 0.000 0.222 1276 D C 1.346 177.571 176.300 -0.126 0.000 0.980 1276 D CA 1.326 55.285 54.000 -0.069 0.000 0.907 1276 D CB 0.001 40.775 40.800 -0.043 0.000 0.899 1276 D HN 0.644 nan 8.370 nan 0.000 0.527 1277 G N -0.589 108.084 108.800 -0.212 0.000 2.148 1277 G HA2 -0.006 3.954 3.960 0.000 0.000 0.203 1277 G HA3 -0.006 3.954 3.960 0.000 0.000 0.203 1277 G C 0.773 175.459 174.900 -0.358 0.000 0.993 1277 G CA 0.070 45.043 45.100 -0.212 0.000 0.661 1277 G HN 0.786 nan 8.290 nan 0.000 0.518 1278 G N -1.438 106.935 108.800 -0.711 0.000 2.584 1278 G HA2 0.008 3.968 3.960 0.000 0.000 0.229 1278 G HA3 0.008 3.968 3.960 0.000 0.000 0.229 1278 G C 0.575 175.131 174.900 -0.573 0.000 1.320 1278 G CA 0.176 44.648 45.100 -1.047 0.000 0.891 1278 G HN 1.580 nan 8.290 nan 0.000 0.573 1279 C N 0.705 119.909 119.300 -0.160 0.000 2.634 1279 C HA 0.523 4.983 4.460 0.000 0.000 0.418 1279 C C 1.318 176.340 174.990 0.053 0.000 1.373 1279 C CA 0.670 59.760 59.018 0.120 0.000 1.756 1279 C CB -0.152 27.679 27.740 0.151 0.000 2.589 1279 C HN 0.762 nan 8.230 nan 0.000 0.602 1280 S N 2.086 117.856 115.700 0.116 0.000 2.480 1280 S HA 0.520 4.990 4.470 0.000 0.000 0.286 1280 S C 0.555 175.186 174.600 0.051 0.000 1.180 1280 S CA -0.340 57.898 58.200 0.062 0.000 1.075 1280 S CB 1.074 64.316 63.200 0.071 0.000 0.996 1280 S HN 1.028 nan 8.310 nan 0.000 0.487 1281 G N 1.397 110.206 108.800 0.014 0.000 2.305 1281 G HA2 0.392 4.352 3.960 0.000 0.000 0.243 1281 G HA3 0.392 4.352 3.960 0.000 0.000 0.243 1281 G C 1.186 176.077 174.900 -0.014 0.000 1.288 1281 G CA 0.150 45.251 45.100 0.001 0.000 0.901 1281 G HN 1.409 nan 8.290 nan 0.000 0.516 1282 G N 1.196 109.989 108.800 -0.012 0.000 2.196 1282 G HA2 -0.096 3.864 3.960 0.000 0.000 0.268 1282 G HA3 -0.096 3.864 3.960 0.000 0.000 0.268 1282 G C 1.455 176.301 174.900 -0.090 0.000 0.975 1282 G CA 1.313 46.393 45.100 -0.034 0.000 0.648 1282 G HN 1.729 nan 8.290 nan 0.000 0.538 1283 A N -1.250 121.500 122.820 -0.118 0.000 1.930 1283 A HA 0.454 4.774 4.320 0.000 0.000 0.217 1283 A C 0.841 178.015 177.584 -0.683 0.000 1.175 1283 A CA 1.630 53.428 52.037 -0.397 0.000 0.627 1283 A CB -0.021 18.759 19.000 -0.366 0.000 0.815 1283 A HN 0.903 nan 8.150 nan 0.000 0.443 1284 Y N -1.467 118.832 120.300 -0.003 0.000 2.524 1284 Y HA 0.363 4.913 4.550 0.000 0.000 0.347 1284 Y C 0.246 176.137 175.900 -0.015 0.000 1.005 1284 Y CA -1.136 56.953 58.100 -0.018 0.000 1.025 1284 Y CB 1.577 40.012 38.460 -0.042 0.000 1.275 1284 Y HN 0.106 nan 8.280 nan 0.000 0.460 1285 D N 1.457 121.936 120.400 0.132 0.000 2.262 1285 D HA 0.143 4.783 4.640 0.000 0.000 0.212 1285 D C 0.070 176.332 176.300 -0.063 0.000 0.964 1285 D CA 1.280 55.316 54.000 0.059 0.000 0.875 1285 D CB 1.094 41.975 40.800 0.135 0.000 0.996 1285 D HN 0.340 nan 8.370 nan 0.000 0.497 1286 I N 1.462 121.962 120.570 -0.116 0.000 2.498 1286 I HA 0.309 4.479 4.170 0.000 0.000 0.290 1286 I C -0.621 175.366 176.117 -0.216 0.000 1.032 1286 I CA -0.651 60.489 61.300 -0.267 0.000 1.073 1286 I CB 2.846 40.504 38.000 -0.571 0.000 1.251 1286 I HN -0.299 nan 8.210 nan 0.000 0.426 1287 I N 6.826 127.266 120.570 -0.215 0.000 2.410 1287 I HA 0.447 4.617 4.170 0.000 0.000 0.286 1287 I C -0.606 175.364 176.117 -0.246 0.000 1.009 1287 I CA -0.488 60.656 61.300 -0.260 0.000 1.111 1287 I CB 1.747 39.619 38.000 -0.215 0.000 1.262 1287 I HN 0.388 nan 8.210 nan 0.000 0.443 1288 I N 5.486 125.895 120.570 -0.268 0.000 2.328 1288 I HA 0.237 4.407 4.170 0.000 0.000 0.287 1288 I C -0.168 175.833 176.117 -0.194 0.000 1.012 1288 I CA -0.366 60.816 61.300 -0.195 0.000 1.195 1288 I CB 1.386 39.291 38.000 -0.158 0.000 1.350 1288 I HN 0.586 nan 8.210 nan 0.000 0.464 1289 C N 5.025 124.257 119.300 -0.113 0.000 2.218 1289 C HA 0.143 4.603 4.460 0.000 0.000 0.353 1289 C C 0.673 175.697 174.990 0.058 0.000 1.070 1289 C CA -0.455 58.561 59.018 -0.004 0.000 1.497 1289 C CB -1.465 26.314 27.740 0.066 0.000 1.951 1289 C HN 0.597 nan 8.230 nan 0.000 0.493 1290 D N 2.260 122.669 120.400 0.016 0.000 2.362 1290 D HA 0.064 4.704 4.640 0.000 0.000 0.242 1290 D C 0.668 177.050 176.300 0.136 0.000 1.132 1290 D CA 0.728 54.766 54.000 0.064 0.000 0.907 1290 D CB 0.640 41.461 40.800 0.035 0.000 1.195 1290 D HN 0.580 nan 8.370 nan 0.000 0.429 1291 E N 1.387 121.653 120.200 0.110 0.000 2.297 1291 E HA -0.219 4.131 4.350 0.000 0.000 0.228 1291 E C 1.028 177.518 176.600 -0.184 0.000 1.213 1291 E CA 0.681 57.070 56.400 -0.018 0.000 0.712 1291 E CB -2.443 27.218 29.700 -0.065 0.000 1.202 1291 E HN 0.576 nan 8.360 nan 0.000 0.376 1292 C N -0.990 118.307 119.300 -0.005 0.000 2.525 1292 C HA 0.058 4.518 4.460 0.000 0.000 0.279 1292 C C 1.922 176.894 174.990 -0.030 0.000 1.437 1292 C CA 0.313 59.315 59.018 -0.027 0.000 1.704 1292 C CB -1.345 26.421 27.740 0.043 0.000 1.672 1292 C HN 0.606 nan 8.230 nan 0.000 0.582 1293 H N -0.167 118.917 119.070 0.022 0.000 2.575 1293 H HA 0.144 4.700 4.556 0.000 0.000 0.267 1293 H C 0.941 176.269 175.328 0.001 0.000 0.966 1293 H CA 0.692 56.751 56.048 0.017 0.000 1.165 1293 H CB -0.539 29.222 29.762 -0.001 0.000 1.433 1293 H HN 0.478 nan 8.280 nan 0.000 0.544 1294 S N 2.211 117.578 115.700 -0.555 0.000 2.537 1294 S HA 0.023 4.493 4.470 0.000 0.000 0.286 1294 S C 1.120 175.571 174.600 -0.248 0.000 1.299 1294 S CA 0.154 58.137 58.200 -0.360 0.000 1.067 1294 S CB 0.557 63.531 63.200 -0.377 0.000 0.864 1294 S HN 0.547 nan 8.310 nan 0.000 0.494 1295 T N 0.993 115.424 114.554 -0.205 0.000 3.186 1295 T HA 0.168 4.519 4.350 0.000 0.000 0.257 1295 T C 0.219 174.679 174.700 -0.400 0.000 1.029 1295 T CA -0.591 61.296 62.100 -0.355 0.000 0.916 1295 T CB -0.527 68.196 68.868 -0.241 0.000 1.041 1295 T HN 0.781 nan 8.240 nan 0.000 0.562 1296 D N 1.719 121.940 120.400 -0.298 0.000 2.362 1296 D HA 0.045 4.686 4.640 0.000 0.000 0.242 1296 D C 1.389 177.485 176.300 -0.340 0.000 1.132 1296 D CA 0.069 53.913 54.000 -0.261 0.000 0.907 1296 D CB 1.479 42.173 40.800 -0.177 0.000 1.195 1296 D HN 0.251 nan 8.370 nan 0.000 0.429 1297 S N 1.391 116.915 115.700 -0.292 0.000 2.383 1297 S HA -0.212 4.258 4.470 0.000 0.000 0.229 1297 S C 1.706 176.153 174.600 -0.255 0.000 1.030 1297 S CA 1.536 59.558 58.200 -0.296 0.000 1.002 1297 S CB -0.894 62.168 63.200 -0.230 0.000 0.829 1297 S HN 0.625 nan 8.310 nan 0.000 0.467 1298 T N 1.811 116.253 114.554 -0.187 0.000 2.777 1298 T HA -0.057 4.293 4.350 0.000 0.000 0.266 1298 T C 1.986 176.554 174.700 -0.220 0.000 1.040 1298 T CA 1.847 63.873 62.100 -0.124 0.000 1.141 1298 T CB -0.940 67.897 68.868 -0.052 0.000 0.868 1298 T HN 0.544 nan 8.240 nan 0.000 0.444 1299 T N 1.827 116.171 114.554 -0.351 0.000 2.777 1299 T HA 0.062 4.412 4.350 0.000 0.000 0.266 1299 T C 1.974 176.309 174.700 -0.608 0.000 1.040 1299 T CA 0.826 62.502 62.100 -0.707 0.000 1.141 1299 T CB -0.354 68.145 68.868 -0.614 0.000 0.868 1299 T HN 0.272 nan 8.240 nan 0.000 0.444 1300 I N 0.559 120.829 120.570 -0.500 0.000 2.202 1300 I HA -0.098 4.072 4.170 0.000 0.000 0.242 1300 I C 2.188 178.066 176.117 -0.399 0.000 1.091 1300 I CA 0.706 61.654 61.300 -0.586 0.000 1.368 1300 I CB -0.280 37.167 38.000 -0.922 0.000 1.058 1300 I HN 0.155 nan 8.210 nan 0.000 0.410 1301 L N 0.949 121.979 121.223 -0.320 0.000 2.017 1301 L HA -0.082 4.258 4.340 0.000 0.000 0.208 1301 L C 2.357 179.167 176.870 -0.100 0.000 1.073 1301 L CA 2.263 56.978 54.840 -0.209 0.000 0.745 1301 L CB -1.412 40.534 42.059 -0.189 0.000 0.894 1301 L HN 0.228 nan 8.230 nan 0.000 0.432 1302 G N -0.363 108.388 108.800 -0.083 0.000 2.440 1302 G HA2 -0.268 3.692 3.960 0.000 0.000 0.218 1302 G HA3 -0.268 3.692 3.960 0.000 0.000 0.218 1302 G C 1.674 176.676 174.900 0.171 0.000 1.154 1302 G CA 1.225 46.416 45.100 0.152 0.000 0.767 1302 G HN 0.476 nan 8.290 nan 0.000 0.552 1303 I N 1.161 121.722 120.570 -0.016 0.000 2.315 1303 I HA -0.041 4.129 4.170 0.000 0.000 0.248 1303 I C 3.046 179.253 176.117 0.150 0.000 1.117 1303 I CA 0.790 62.133 61.300 0.072 0.000 1.404 1303 I CB -0.318 37.718 38.000 0.059 0.000 1.071 1303 I HN 0.251 nan 8.210 nan 0.000 0.419 1304 G N 0.347 109.254 108.800 0.178 0.000 2.440 1304 G HA2 -0.242 3.719 3.960 0.000 0.000 0.218 1304 G HA3 -0.242 3.719 3.960 0.000 0.000 0.218 1304 G C 1.635 176.598 174.900 0.105 0.000 1.154 1304 G CA 1.500 46.699 45.100 0.165 0.000 0.767 1304 G HN 0.298 nan 8.290 nan 0.000 0.552 1305 T N 0.866 115.487 114.554 0.111 0.000 2.708 1305 T HA -0.102 4.248 4.350 0.000 0.000 0.266 1305 T C 2.529 177.340 174.700 0.185 0.000 1.037 1305 T CA 1.200 63.375 62.100 0.124 0.000 1.146 1305 T CB -0.329 68.628 68.868 0.149 0.000 0.865 1305 T HN 0.063 nan 8.240 nan 0.000 0.435 1306 V N 1.593 121.651 119.914 0.240 0.000 2.407 1306 V HA -0.106 4.014 4.120 0.000 0.000 0.248 1306 V C 2.437 178.586 176.094 0.093 0.000 1.055 1306 V CA 1.455 63.850 62.300 0.158 0.000 1.049 1306 V CB -0.676 31.161 31.823 0.023 0.000 0.662 1306 V HN 0.445 nan 8.190 nan 0.000 0.455 1307 L N -0.147 121.126 121.223 0.083 0.000 2.217 1307 L HA -0.110 4.230 4.340 0.000 0.000 0.211 1307 L C 2.178 179.066 176.870 0.030 0.000 1.107 1307 L CA 1.649 56.529 54.840 0.066 0.000 0.783 1307 L CB -0.423 41.669 42.059 0.055 0.000 0.919 1307 L HN 0.418 nan 8.230 nan 0.000 0.442 1308 D N -0.366 120.052 120.400 0.029 0.000 2.216 1308 D HA -0.174 4.466 4.640 0.000 0.000 0.208 1308 D C 2.052 178.328 176.300 -0.040 0.000 0.960 1308 D CA 0.837 54.836 54.000 -0.002 0.000 0.861 1308 D CB 0.343 41.148 40.800 0.009 0.000 0.985 1308 D HN 0.404 nan 8.370 nan 0.000 0.493 1309 Q N -1.006 118.780 119.800 -0.024 0.000 2.214 1309 Q HA 0.368 4.708 4.340 0.000 0.000 0.229 1309 Q C 1.849 177.802 176.000 -0.077 0.000 0.835 1309 Q CA 0.310 56.084 55.803 -0.049 0.000 0.953 1309 Q CB 0.302 29.029 28.738 -0.018 0.000 1.131 1309 Q HN 0.122 nan 8.270 nan 0.000 0.501 1310 A N 2.322 125.099 122.820 -0.071 0.000 1.892 1310 A HA -0.291 4.029 4.320 0.000 0.000 0.218 1310 A C 2.037 179.463 177.584 -0.263 0.000 1.188 1310 A CA 1.921 53.913 52.037 -0.075 0.000 0.631 1310 A CB -0.638 18.383 19.000 0.035 0.000 0.822 1310 A HN 0.572 nan 8.150 nan 0.000 0.447 1311 E N -1.246 118.557 120.200 -0.661 0.000 2.072 1311 E HA -0.147 4.203 4.350 0.000 0.000 0.191 1311 E C 1.891 178.297 176.600 -0.323 0.000 0.985 1311 E CA 1.495 57.421 56.400 -0.791 0.000 0.801 1311 E CB -0.134 28.866 29.700 -1.165 0.000 0.750 1311 E HN 0.527 nan 8.360 nan 0.000 0.452 1312 T N -0.014 114.399 114.554 -0.235 0.000 2.962 1312 T HA -0.023 4.327 4.350 0.000 0.000 0.270 1312 T C 1.295 175.946 174.700 -0.081 0.000 1.088 1312 T CA 0.955 62.977 62.100 -0.129 0.000 1.127 1312 T CB -0.032 68.777 68.868 -0.099 0.000 0.883 1312 T HN 0.234 nan 8.240 nan 0.000 0.493 1313 A N 0.013 122.791 122.820 -0.070 0.000 2.307 1313 A HA 0.574 4.894 4.320 0.000 0.000 0.218 1313 A C 1.739 179.320 177.584 -0.006 0.000 1.228 1313 A CA 0.574 52.599 52.037 -0.021 0.000 0.857 1313 A CB -0.472 18.537 19.000 0.016 0.000 0.897 1313 A HN 0.590 nan 8.150 nan 0.000 0.495 1314 G N -1.942 106.843 108.800 -0.025 0.000 2.159 1314 G HA2 0.109 4.069 3.960 0.000 0.000 0.227 1314 G HA3 0.109 4.069 3.960 0.000 0.000 0.227 1314 G C 0.455 175.386 174.900 0.052 0.000 0.986 1314 G CA 0.165 45.270 45.100 0.007 0.000 0.651 1314 G HN 1.534 nan 8.290 nan 0.000 0.523 1315 A N -0.589 122.276 122.820 0.075 0.000 2.351 1315 A HA 0.814 5.134 4.320 0.000 0.000 0.257 1315 A C 1.128 178.884 177.584 0.287 0.000 1.087 1315 A CA 1.025 53.156 52.037 0.157 0.000 0.798 1315 A CB 0.590 19.709 19.000 0.199 0.000 1.033 1315 A HN 0.433 nan 8.150 nan 0.000 0.488 1316 R N -0.795 119.804 120.500 0.164 0.000 2.250 1316 R HA 0.346 4.686 4.340 0.000 0.000 0.194 1316 R C -0.577 175.622 176.300 -0.169 0.000 0.927 1316 R CA 0.356 56.515 56.100 0.099 0.000 1.052 1316 R CB 0.205 30.487 30.300 -0.030 0.000 1.055 1316 R HN 0.577 nan 8.270 nan 0.000 0.537 1317 L N 0.444 121.531 121.223 -0.227 0.000 2.438 1317 L HA 0.510 4.850 4.340 0.000 0.000 0.270 1317 L C -1.670 175.021 176.870 -0.297 0.000 0.972 1317 L CA -0.806 53.788 54.840 -0.409 0.000 0.831 1317 L CB 2.362 44.169 42.059 -0.421 0.000 1.273 1317 L HN -0.272 nan 8.230 nan 0.000 0.405 1318 V N 5.575 125.278 119.914 -0.351 0.000 2.409 1318 V HA 0.585 4.705 4.120 0.000 0.000 0.291 1318 V C -0.544 175.406 176.094 -0.240 0.000 1.020 1318 V CA -0.644 61.544 62.300 -0.187 0.000 0.848 1318 V CB 1.963 33.774 31.823 -0.020 0.000 0.990 1318 V HN 0.519 nan 8.190 nan 0.000 0.430 1319 V N 6.605 126.401 119.914 -0.197 0.000 2.435 1319 V HA 0.480 4.600 4.120 0.000 0.000 0.290 1319 V C -0.212 175.799 176.094 -0.139 0.000 1.030 1319 V CA -0.547 61.650 62.300 -0.172 0.000 0.881 1319 V CB 1.753 33.514 31.823 -0.104 0.000 0.983 1319 V HN 0.636 nan 8.190 nan 0.000 0.445 1320 L N 4.961 126.084 121.223 -0.167 0.000 2.277 1320 L HA 0.767 5.107 4.340 0.000 0.000 0.284 1320 L C 0.285 177.187 176.870 0.055 0.000 1.028 1320 L CA -0.220 54.573 54.840 -0.079 0.000 0.835 1320 L CB 1.204 43.166 42.059 -0.163 0.000 1.215 1320 L HN 0.739 nan 8.230 nan 0.000 0.425 1321 A N 2.508 125.377 122.820 0.082 0.000 2.337 1321 A HA 0.892 5.212 4.320 0.000 0.000 0.329 1321 A C -0.289 177.401 177.584 0.177 0.000 1.146 1321 A CA -0.461 51.659 52.037 0.139 0.000 0.800 1321 A CB 1.953 21.000 19.000 0.078 0.000 1.220 1321 A HN 0.534 nan 8.150 nan 0.000 0.472 1322 T N -0.482 114.197 114.554 0.209 0.000 2.831 1322 T HA 0.500 4.850 4.350 0.000 0.000 0.333 1322 T C 0.197 174.946 174.700 0.082 0.000 1.684 1322 T CA 0.464 62.681 62.100 0.195 0.000 1.049 1322 T CB 0.999 70.022 68.868 0.259 0.000 1.518 1322 T HN 1.609 nan 8.240 nan 0.000 0.491 1323 A N 1.401 124.226 122.820 0.008 0.000 2.220 1323 A HA 0.396 4.716 4.320 0.000 0.000 0.211 1323 A C 1.061 178.558 177.584 -0.145 0.000 1.176 1323 A CA 1.064 53.073 52.037 -0.046 0.000 0.834 1323 A CB -0.077 18.905 19.000 -0.030 0.000 0.868 1323 A HN 1.236 nan 8.150 nan 0.000 0.488 1324 T N -0.803 113.603 114.554 -0.246 0.000 3.410 1324 T HA 0.456 4.807 4.350 0.000 0.000 0.328 1324 T C -2.998 171.546 174.700 -0.261 0.000 1.567 1324 T CA -1.874 60.055 62.100 -0.284 0.000 1.626 1324 T CB 1.163 69.805 68.868 -0.375 0.000 0.939 1324 T HN 0.073 nan 8.240 nan 0.000 0.656 1325 P HA 0.296 nan 4.420 nan 0.000 0.273 1325 P C -2.783 174.426 177.300 -0.152 0.000 1.250 1325 P CA -1.661 61.263 63.100 -0.292 0.000 0.793 1325 P CB -0.487 30.819 31.700 -0.657 0.000 1.011 1326 P HA 0.067 nan 4.420 nan 0.000 0.257 1326 P C 0.885 178.110 177.300 -0.125 0.000 1.189 1326 P CA 1.494 64.548 63.100 -0.077 0.000 0.780 1326 P CB -0.654 30.988 31.700 -0.097 0.000 0.772 1327 G N 1.680 110.460 108.800 -0.034 0.000 2.205 1327 G HA2 -0.168 3.792 3.960 0.000 0.000 0.180 1327 G HA3 -0.168 3.792 3.960 0.000 0.000 0.180 1327 G C 0.290 175.208 174.900 0.031 0.000 1.004 1327 G CA -0.429 44.677 45.100 0.011 0.000 0.670 1327 G HN 0.493 nan 8.290 nan 0.000 0.496 1328 S N -0.145 115.550 115.700 -0.009 0.000 2.576 1328 S HA 0.606 5.076 4.470 0.000 0.000 0.276 1328 S C 0.400 174.996 174.600 -0.007 0.000 1.339 1328 S CA 0.310 58.490 58.200 -0.033 0.000 1.039 1328 S CB 2.057 65.205 63.200 -0.086 0.000 0.902 1328 S HN 1.646 nan 8.310 nan 0.000 0.516 1329 V N 0.901 120.804 119.914 -0.018 0.000 2.789 1329 V HA 0.651 4.771 4.120 0.000 0.000 0.311 1329 V C -0.204 175.868 176.094 -0.037 0.000 1.073 1329 V CA -0.717 61.574 62.300 -0.015 0.000 0.921 1329 V CB 1.713 33.537 31.823 0.001 0.000 1.009 1329 V HN 0.729 nan 8.190 nan 0.000 0.426 1330 T N 5.181 119.707 114.554 -0.048 0.000 2.870 1330 T HA 0.548 4.898 4.350 0.000 0.000 0.300 1330 T C 0.142 174.814 174.700 -0.048 0.000 0.989 1330 T CA 0.288 62.351 62.100 -0.062 0.000 1.139 1330 T CB 0.912 69.726 68.868 -0.090 0.000 0.920 1330 T HN 1.432 nan 8.240 nan 0.000 0.537 1331 V N 1.413 121.302 119.914 -0.041 0.000 3.113 1331 V HA 0.763 4.883 4.120 0.000 0.000 0.316 1331 V C -2.694 173.392 176.094 -0.014 0.000 1.125 1331 V CA -2.949 59.334 62.300 -0.027 0.000 1.026 1331 V CB 0.586 32.392 31.823 -0.028 0.000 1.080 1331 V HN 0.546 nan 8.190 nan 0.000 0.444 1332 P HA 0.165 nan 4.420 nan 0.000 0.266 1332 P C -0.861 176.467 177.300 0.046 0.000 1.193 1332 P CA 0.386 63.507 63.100 0.034 0.000 0.770 1332 P CB -0.002 31.717 31.700 0.031 0.000 0.836 1333 H N 3.635 122.700 119.070 -0.010 0.000 2.481 1333 H HA 0.205 4.761 4.556 0.000 0.000 0.333 1333 H C -1.675 173.659 175.328 0.010 0.000 1.066 1333 H CA -2.108 53.935 56.048 -0.008 0.000 1.209 1333 H CB 1.452 31.204 29.762 -0.016 0.000 1.445 1333 H HN 0.231 nan 8.280 nan 0.000 0.488 1334 P HA -0.198 nan 4.420 nan 0.000 0.215 1334 P C 0.652 178.050 177.300 0.164 0.000 1.163 1334 P CA 1.535 64.680 63.100 0.075 0.000 0.894 1334 P CB 0.298 31.995 31.700 -0.004 0.000 0.791 1335 N N -0.953 117.926 118.700 0.298 0.000 2.320 1335 N HA 0.088 4.828 4.740 0.000 0.000 0.237 1335 N C -0.384 175.198 175.510 0.121 0.000 1.129 1335 N CA -0.081 53.083 53.050 0.190 0.000 0.854 1335 N CB -0.775 37.801 38.487 0.149 0.000 1.083 1335 N HN 0.152 nan 8.380 nan 0.000 0.504 1336 I N 0.309 120.954 120.570 0.126 0.000 2.411 1336 I HA 0.173 4.343 4.170 0.000 0.000 0.284 1336 I C -0.263 175.921 176.117 0.111 0.000 1.012 1336 I CA -0.807 60.519 61.300 0.043 0.000 1.119 1336 I CB 1.850 39.791 38.000 -0.097 0.000 1.261 1336 I HN 0.155 nan 8.210 nan 0.000 0.448 1337 E N 7.646 127.915 120.200 0.116 0.000 2.223 1337 E HA 0.151 4.501 4.350 0.000 0.000 0.282 1337 E C -0.721 175.994 176.600 0.191 0.000 1.046 1337 E CA -0.360 56.118 56.400 0.130 0.000 0.857 1337 E CB 0.786 30.543 29.700 0.095 0.000 1.055 1337 E HN 0.489 nan 8.360 nan 0.000 0.409 1338 E N 3.653 123.998 120.200 0.242 0.000 2.109 1338 E HA 0.301 4.651 4.350 0.000 0.000 0.278 1338 E C -0.862 175.921 176.600 0.305 0.000 0.954 1338 E CA -0.724 55.919 56.400 0.405 0.000 0.779 1338 E CB 1.889 31.894 29.700 0.508 0.000 1.093 1338 E HN 0.179 nan 8.360 nan 0.000 0.401 1339 V N 1.967 121.946 119.914 0.109 0.000 2.483 1339 V HA 0.390 4.510 4.120 0.000 0.000 0.297 1339 V C 0.222 175.902 176.094 -0.689 0.000 1.027 1339 V CA -0.994 61.212 62.300 -0.157 0.000 0.855 1339 V CB 1.493 33.248 31.823 -0.114 0.000 0.995 1339 V HN 0.820 nan 8.190 nan 0.000 0.424 1340 A N 4.996 127.257 122.820 -0.933 0.000 2.477 1340 A HA 0.532 4.852 4.320 0.000 0.000 0.246 1340 A C -0.357 176.872 177.584 -0.592 0.000 1.078 1340 A CA -0.106 51.159 52.037 -1.286 0.000 0.770 1340 A CB 0.103 18.748 19.000 -0.591 0.000 1.011 1340 A HN 0.681 nan 8.150 nan 0.000 0.494 1341 L N 2.580 123.517 121.223 -0.477 0.000 2.380 1341 L HA 0.342 4.682 4.340 0.000 0.000 0.273 1341 L C 1.167 177.964 176.870 -0.122 0.000 1.138 1341 L CA 0.831 55.537 54.840 -0.224 0.000 0.832 1341 L CB 0.954 42.940 42.059 -0.122 0.000 1.124 1341 L HN 0.957 nan 8.230 nan 0.000 0.454 1342 S N 2.642 118.292 115.700 -0.083 0.000 2.677 1342 S HA 0.357 4.827 4.470 0.000 0.000 0.290 1342 S C 0.749 175.342 174.600 -0.012 0.000 1.124 1342 S CA -0.300 57.875 58.200 -0.042 0.000 1.017 1342 S CB 0.525 63.700 63.200 -0.042 0.000 1.215 1342 S HN 0.609 nan 8.310 nan 0.000 0.524 1343 N N 0.296 118.994 118.700 -0.004 0.000 2.422 1343 N HA 0.123 4.863 4.740 0.000 0.000 0.181 1343 N C 0.132 175.644 175.510 0.002 0.000 1.080 1343 N CA 0.646 53.700 53.050 0.007 0.000 0.893 1343 N CB 0.242 38.734 38.487 0.008 0.000 0.973 1343 N HN 0.774 nan 8.380 nan 0.000 0.456 1344 T N -1.165 113.384 114.554 -0.008 0.000 2.882 1344 T HA 0.703 5.054 4.350 0.000 0.000 0.287 1344 T C 0.239 174.930 174.700 -0.015 0.000 0.992 1344 T CA -0.261 61.833 62.100 -0.010 0.000 1.076 1344 T CB 1.419 70.279 68.868 -0.013 0.000 0.961 1344 T HN 0.165 nan 8.240 nan 0.000 0.490 1345 G N 2.765 111.558 108.800 -0.012 0.000 2.312 1345 G HA2 0.184 4.144 3.960 0.000 0.000 0.347 1345 G HA3 0.184 4.144 3.960 0.000 0.000 0.347 1345 G C 0.007 174.902 174.900 -0.008 0.000 1.564 1345 G CA -0.086 45.003 45.100 -0.018 0.000 0.981 1345 G HN 0.686 nan 8.290 nan 0.000 0.678 1346 E N -0.131 120.062 120.200 -0.012 0.000 2.481 1346 E HA 0.075 4.425 4.350 0.000 0.000 0.195 1346 E C 0.868 177.470 176.600 0.004 0.000 1.047 1346 E CA 0.471 56.868 56.400 -0.005 0.000 0.867 1346 E CB 0.606 30.300 29.700 -0.009 0.000 0.858 1346 E HN 0.550 nan 8.360 nan 0.000 0.513 1347 I N 3.024 123.599 120.570 0.007 0.000 2.354 1347 I HA 0.260 4.430 4.170 0.000 0.000 0.286 1347 I C -2.519 173.642 176.117 0.073 0.000 1.007 1347 I CA -2.691 58.627 61.300 0.029 0.000 1.167 1347 I CB 1.674 39.682 38.000 0.012 0.000 1.320 1347 I HN -0.301 nan 8.210 nan 0.000 0.458 1348 P HA 0.134 nan 4.420 nan 0.000 0.271 1348 P C -0.946 176.475 177.300 0.202 0.000 1.216 1348 P CA 0.089 63.246 63.100 0.095 0.000 0.771 1348 P CB 0.307 32.028 31.700 0.035 0.000 0.864 1349 F N 4.671 124.643 119.950 0.037 0.000 2.915 1349 F HA 0.274 4.801 4.527 0.000 0.000 0.350 1349 F C -0.718 175.216 175.800 0.224 0.000 1.248 1349 F CA -0.630 57.451 58.000 0.135 0.000 1.084 1349 F CB 0.462 39.556 39.000 0.157 0.000 1.391 1349 F HN 0.264 nan 8.300 nan 0.000 0.548 1350 Y N 3.909 123.966 120.300 -0.405 0.000 3.225 1350 Y HA -0.139 4.411 4.550 0.000 0.000 0.211 1350 Y C 1.426 177.250 175.900 -0.127 0.000 1.223 1350 Y CA 1.390 59.296 58.100 -0.324 0.000 1.284 1350 Y CB -1.287 36.869 38.460 -0.507 0.000 1.367 1350 Y HN 1.166 nan 8.280 nan 0.000 0.566 1351 G N -1.811 106.986 108.800 -0.004 0.000 2.175 1351 G HA2 -0.262 3.698 3.960 0.000 0.000 0.244 1351 G HA3 -0.262 3.698 3.960 0.000 0.000 0.244 1351 G C 0.484 175.416 174.900 0.054 0.000 0.982 1351 G CA 0.338 45.451 45.100 0.021 0.000 0.641 1351 G HN 0.412 nan 8.290 nan 0.000 0.527 1352 K N -0.647 119.812 120.400 0.097 0.000 2.047 1352 K HA 0.913 5.233 4.320 0.000 0.000 0.244 1352 K C -0.275 176.396 176.600 0.118 0.000 1.048 1352 K CA -0.167 56.180 56.287 0.100 0.000 0.871 1352 K CB 1.541 34.112 32.500 0.119 0.000 1.445 1352 K HN 0.940 nan 8.250 nan 0.000 0.514 1353 A N 0.581 123.456 122.820 0.091 0.000 2.556 1353 A HA 0.745 5.065 4.320 0.000 0.000 0.294 1353 A C -1.317 176.282 177.584 0.025 0.000 1.091 1353 A CA -0.703 51.377 52.037 0.072 0.000 0.704 1353 A CB 1.027 20.045 19.000 0.031 0.000 1.300 1353 A HN 0.534 nan 8.150 nan 0.000 0.406 1354 I N 1.907 122.476 120.570 -0.001 0.000 2.382 1354 I HA 0.365 4.535 4.170 0.000 0.000 0.286 1354 I C -2.486 173.589 176.117 -0.070 0.000 1.002 1354 I CA -2.156 59.097 61.300 -0.077 0.000 1.135 1354 I CB 2.449 40.367 38.000 -0.137 0.000 1.288 1354 I HN 0.332 nan 8.210 nan 0.000 0.448 1355 P HA 0.163 nan 4.420 nan 0.000 0.276 1355 P C 0.912 178.162 177.300 -0.084 0.000 1.230 1355 P CA -0.194 62.866 63.100 -0.067 0.000 0.776 1355 P CB 1.168 32.829 31.700 -0.066 0.000 0.888 1356 I N 2.015 122.548 120.570 -0.063 0.000 2.567 1356 I HA -0.242 3.928 4.170 0.000 0.000 0.257 1356 I C 1.094 177.168 176.117 -0.072 0.000 1.184 1356 I CA 1.581 62.841 61.300 -0.065 0.000 1.451 1356 I CB 0.113 38.089 38.000 -0.039 0.000 1.089 1356 I HN 0.319 nan 8.210 nan 0.000 0.441 1357 E N 1.110 121.273 120.200 -0.062 0.000 2.204 1357 E HA -0.142 4.209 4.350 0.000 0.000 0.195 1357 E C 2.054 178.608 176.600 -0.078 0.000 0.990 1357 E CA 1.245 57.614 56.400 -0.052 0.000 0.821 1357 E CB -0.257 29.420 29.700 -0.039 0.000 0.750 1357 E HN 0.582 nan 8.360 nan 0.000 0.477 1358 A N 0.474 123.217 122.820 -0.128 0.000 2.119 1358 A HA 0.019 4.339 4.320 0.000 0.000 0.216 1358 A C 1.877 179.211 177.584 -0.416 0.000 1.152 1358 A CA 0.914 52.831 52.037 -0.200 0.000 0.708 1358 A CB -0.430 18.449 19.000 -0.202 0.000 0.805 1358 A HN 0.397 nan 8.150 nan 0.000 0.460 1359 I N -5.314 115.043 120.570 -0.356 0.000 4.338 1359 I HA 0.364 4.534 4.170 0.000 0.000 0.329 1359 I C 0.596 176.678 176.117 -0.059 0.000 1.378 1359 I CA -0.446 60.565 61.300 -0.482 0.000 1.170 1359 I CB 0.289 38.056 38.000 -0.388 0.000 1.206 1359 I HN -0.023 nan 8.210 nan 0.000 0.432 1360 R N 3.080 123.568 120.500 -0.021 0.000 2.248 1360 R HA 0.498 4.838 4.340 0.000 0.000 0.337 1360 R C -0.035 176.312 176.300 0.079 0.000 1.085 1360 R CA 0.822 56.940 56.100 0.030 0.000 0.934 1360 R CB 0.097 30.399 30.300 0.004 0.000 1.034 1360 R HN 0.576 nan 8.270 nan 0.000 0.465 1361 G N 1.999 110.860 108.800 0.102 0.000 2.907 1361 G HA2 0.237 4.197 3.960 0.000 0.000 0.686 1361 G HA3 0.237 4.197 3.960 0.000 0.000 0.686 1361 G C -0.075 174.907 174.900 0.137 0.000 1.115 1361 G CA -0.493 44.659 45.100 0.088 0.000 0.760 1361 G HN 1.126 nan 8.290 nan 0.000 0.620 1362 G N 0.798 109.613 108.800 0.026 0.000 2.655 1362 G HA2 0.303 4.263 3.960 0.000 0.000 0.680 1362 G HA3 0.303 4.263 3.960 0.000 0.000 0.680 1362 G C -0.410 174.337 174.900 -0.255 0.000 1.302 1362 G CA 0.005 45.032 45.100 -0.123 0.000 0.872 1362 G HN 1.302 nan 8.290 nan 0.000 0.540 1363 R N 0.585 120.829 120.500 -0.427 0.000 2.310 1363 R HA 0.566 4.906 4.340 0.000 0.000 0.324 1363 R C -0.821 175.305 176.300 -0.291 0.000 0.955 1363 R CA -0.602 55.375 56.100 -0.205 0.000 0.830 1363 R CB 1.160 31.416 30.300 -0.073 0.000 1.154 1363 R HN 0.678 nan 8.270 nan 0.000 0.458 1364 H N 1.080 120.260 119.070 0.185 0.000 2.768 1364 H HA 0.397 4.953 4.556 0.000 0.000 0.371 1364 H C -1.190 173.953 175.328 -0.308 0.000 1.151 1364 H CA -0.942 55.111 56.048 0.009 0.000 1.165 1364 H CB 2.121 31.850 29.762 -0.054 0.000 1.722 1364 H HN 0.172 nan 8.280 nan 0.000 0.543 1365 L N 3.393 124.361 121.223 -0.425 0.000 2.333 1365 L HA 0.537 4.878 4.340 0.000 0.000 0.280 1365 L C -1.468 175.105 176.870 -0.495 0.000 1.004 1365 L CA -0.392 53.949 54.840 -0.832 0.000 0.820 1365 L CB 0.821 42.091 42.059 -1.316 0.000 1.247 1365 L HN 0.641 nan 8.230 nan 0.000 0.416 1366 I N 5.628 125.917 120.570 -0.469 0.000 2.411 1366 I HA 0.298 4.468 4.170 0.000 0.000 0.284 1366 I C -0.967 175.016 176.117 -0.224 0.000 1.012 1366 I CA -0.398 60.724 61.300 -0.297 0.000 1.119 1366 I CB 1.144 39.005 38.000 -0.232 0.000 1.261 1366 I HN 0.423 nan 8.210 nan 0.000 0.448 1367 F N 4.905 124.890 119.950 0.058 0.000 2.410 1367 F HA 0.350 4.877 4.527 0.000 0.000 0.348 1367 F C 0.496 176.432 175.800 0.226 0.000 1.106 1367 F CA -0.117 57.958 58.000 0.126 0.000 1.163 1367 F CB 0.942 40.008 39.000 0.110 0.000 1.129 1367 F HN 0.370 nan 8.300 nan 0.000 0.516 1368 C N 3.269 122.813 119.300 0.406 0.000 2.614 1368 C HA 0.259 4.719 4.460 0.000 0.000 0.320 1368 C C 1.551 176.716 174.990 0.291 0.000 1.200 1368 C CA -0.601 58.644 59.018 0.377 0.000 1.700 1368 C CB 1.429 29.390 27.740 0.369 0.000 2.275 1368 C HN 0.939 nan 8.230 nan 0.000 0.492 1369 H N 0.455 119.626 119.070 0.168 0.000 2.529 1369 H HA 0.068 4.625 4.556 0.000 0.000 0.277 1369 H C 0.498 175.882 175.328 0.093 0.000 0.999 1369 H CA 1.226 57.342 56.048 0.113 0.000 1.256 1369 H CB 0.123 29.942 29.762 0.094 0.000 1.402 1369 H HN 0.601 nan 8.280 nan 0.000 0.566 1370 S N -0.435 114.941 115.700 -0.541 0.000 2.618 1370 S HA 0.342 4.812 4.470 0.000 0.000 0.277 1370 S C 0.604 175.019 174.600 -0.308 0.000 1.138 1370 S CA -0.965 56.953 58.200 -0.470 0.000 0.844 1370 S CB 2.823 65.614 63.200 -0.682 0.000 1.127 1370 S HN 0.189 nan 8.310 nan 0.000 0.474 1371 K N 1.126 121.289 120.400 -0.396 0.000 2.097 1371 K HA -0.107 4.213 4.320 0.000 0.000 0.205 1371 K C 1.697 178.058 176.600 -0.399 0.000 1.050 1371 K CA 1.544 57.428 56.287 -0.670 0.000 0.938 1371 K CB -0.370 31.523 32.500 -1.012 0.000 0.718 1371 K HN 0.665 nan 8.250 nan 0.000 0.442 1372 K N 1.585 121.823 120.400 -0.271 0.000 1.991 1372 K HA -0.166 4.154 4.320 0.000 0.000 0.212 1372 K C 2.137 178.682 176.600 -0.091 0.000 1.049 1372 K CA 1.270 57.467 56.287 -0.150 0.000 0.932 1372 K CB -0.234 32.197 32.500 -0.115 0.000 0.717 1372 K HN -0.139 nan 8.250 nan 0.000 0.441 1373 K N 1.225 121.569 120.400 -0.093 0.000 2.044 1373 K HA -0.131 4.189 4.320 0.000 0.000 0.210 1373 K C 2.057 178.690 176.600 0.055 0.000 1.049 1373 K CA 1.665 57.947 56.287 -0.007 0.000 0.927 1373 K CB -0.761 31.776 32.500 0.063 0.000 0.713 1373 K HN 0.293 nan 8.250 nan 0.000 0.443 1374 C N 0.865 120.197 119.300 0.053 0.000 2.413 1374 C HA -0.131 4.329 4.460 0.000 0.000 0.276 1374 C C 2.198 177.265 174.990 0.128 0.000 1.248 1374 C CA 1.043 60.137 59.018 0.127 0.000 1.742 1374 C CB -0.829 27.027 27.740 0.193 0.000 2.017 1374 C HN 0.548 nan 8.230 nan 0.000 0.481 1375 D N 0.122 120.581 120.400 0.099 0.000 2.123 1375 D HA -0.084 4.557 4.640 0.000 0.000 0.200 1375 D C 2.139 178.475 176.300 0.061 0.000 0.976 1375 D CA 1.028 55.088 54.000 0.099 0.000 0.831 1375 D CB -0.407 40.444 40.800 0.084 0.000 0.974 1375 D HN 0.604 nan 8.370 nan 0.000 0.469 1376 E N 0.291 120.514 120.200 0.039 0.000 2.023 1376 E HA -0.187 4.163 4.350 0.000 0.000 0.196 1376 E C 2.096 178.724 176.600 0.047 0.000 1.003 1376 E CA 0.564 56.981 56.400 0.029 0.000 0.809 1376 E CB -0.146 29.559 29.700 0.008 0.000 0.755 1376 E HN 0.052 nan 8.360 nan 0.000 0.449 1377 L N 0.993 122.260 121.223 0.073 0.000 2.042 1377 L HA -0.183 4.157 4.340 0.000 0.000 0.210 1377 L C 2.198 179.108 176.870 0.068 0.000 1.076 1377 L CA 2.135 57.033 54.840 0.096 0.000 0.749 1377 L CB -0.746 41.415 42.059 0.169 0.000 0.893 1377 L HN 0.096 nan 8.230 nan 0.000 0.432 1378 A N -1.058 121.802 122.820 0.067 0.000 1.972 1378 A HA -0.062 4.258 4.320 0.000 0.000 0.219 1378 A C 2.379 179.985 177.584 0.036 0.000 1.169 1378 A CA 1.711 53.776 52.037 0.048 0.000 0.635 1378 A CB -0.904 18.130 19.000 0.056 0.000 0.810 1378 A HN 0.556 nan 8.150 nan 0.000 0.446 1379 A N -0.171 122.673 122.820 0.039 0.000 1.935 1379 A HA 0.029 4.349 4.320 0.000 0.000 0.214 1379 A C 2.015 179.613 177.584 0.024 0.000 1.178 1379 A CA 1.931 53.985 52.037 0.029 0.000 0.640 1379 A CB -0.338 18.679 19.000 0.028 0.000 0.825 1379 A HN 0.439 nan 8.150 nan 0.000 0.447 1380 K N 0.605 121.021 120.400 0.027 0.000 2.009 1380 K HA -0.103 4.217 4.320 0.000 0.000 0.210 1380 K C 1.685 178.296 176.600 0.018 0.000 1.049 1380 K CA 1.913 58.214 56.287 0.023 0.000 0.929 1380 K CB -0.762 31.756 32.500 0.030 0.000 0.714 1380 K HN 0.440 nan 8.250 nan 0.000 0.440 1381 L N 0.190 121.424 121.223 0.018 0.000 2.017 1381 L HA -0.174 4.166 4.340 0.000 0.000 0.208 1381 L C 2.450 179.325 176.870 0.009 0.000 1.073 1381 L CA 1.567 56.413 54.840 0.010 0.000 0.745 1381 L CB -0.694 41.368 42.059 0.006 0.000 0.894 1381 L HN 0.157 nan 8.230 nan 0.000 0.432 1382 S N 0.223 115.931 115.700 0.013 0.000 2.370 1382 S HA -0.160 4.310 4.470 0.000 0.000 0.226 1382 S C 2.036 176.642 174.600 0.010 0.000 1.033 1382 S CA 1.365 59.572 58.200 0.011 0.000 1.011 1382 S CB -0.653 62.556 63.200 0.013 0.000 0.852 1382 S HN 0.638 nan 8.310 nan 0.000 0.457 1383 G N 1.138 109.945 108.800 0.010 0.000 2.432 1383 G HA2 -0.081 3.879 3.960 0.000 0.000 0.219 1383 G HA3 -0.081 3.879 3.960 0.000 0.000 0.219 1383 G C 1.108 176.011 174.900 0.006 0.000 1.135 1383 G CA 0.330 45.435 45.100 0.008 0.000 0.767 1383 G HN 0.466 nan 8.290 nan 0.000 0.550 1384 L N 0.383 121.610 121.223 0.006 0.000 2.610 1384 L HA 0.183 4.523 4.340 0.000 0.000 0.232 1384 L C 2.169 179.041 176.870 0.003 0.000 1.149 1384 L CA 0.572 55.414 54.840 0.003 0.000 0.872 1384 L CB -0.219 41.841 42.059 0.000 0.000 0.992 1384 L HN 0.424 nan 8.230 nan 0.000 0.447 1385 G N 0.289 109.092 108.800 0.005 0.000 2.199 1385 G HA2 -0.256 3.704 3.960 0.000 0.000 0.254 1385 G HA3 -0.256 3.704 3.960 0.000 0.000 0.254 1385 G C 0.405 175.309 174.900 0.007 0.000 0.982 1385 G CA -0.345 44.758 45.100 0.005 0.000 0.632 1385 G HN 0.225 nan 8.290 nan 0.000 0.529 1386 I N 1.460 122.034 120.570 0.007 0.000 2.471 1386 I HA 0.097 4.267 4.170 0.000 0.000 0.286 1386 I C 0.750 176.874 176.117 0.012 0.000 1.079 1386 I CA -0.483 60.823 61.300 0.010 0.000 1.398 1386 I CB 0.877 38.880 38.000 0.005 0.000 1.403 1386 I HN 0.150 nan 8.210 nan 0.000 0.530 1387 N N 5.754 124.464 118.700 0.016 0.000 2.394 1387 N HA 0.195 4.935 4.740 0.000 0.000 0.288 1387 N C -0.500 175.018 175.510 0.013 0.000 1.272 1387 N CA 0.061 53.119 53.050 0.014 0.000 1.004 1387 N CB 0.249 38.745 38.487 0.015 0.000 1.393 1387 N HN 0.703 nan 8.380 nan 0.000 0.488 1388 A N 2.400 125.225 122.820 0.009 0.000 2.337 1388 A HA 0.792 5.112 4.320 0.000 0.000 0.331 1388 A C -0.901 176.684 177.584 0.002 0.000 1.137 1388 A CA -0.641 51.398 52.037 0.004 0.000 0.807 1388 A CB 1.680 20.684 19.000 0.007 0.000 1.250 1388 A HN 0.400 nan 8.150 nan 0.000 0.468 1389 V N 0.320 120.231 119.914 -0.005 0.000 2.891 1389 V HA 0.676 4.796 4.120 0.000 0.000 0.304 1389 V C -0.092 176.003 176.094 0.001 0.000 1.171 1389 V CA 0.068 62.364 62.300 -0.006 0.000 0.943 1389 V CB 1.955 33.765 31.823 -0.021 0.000 1.037 1389 V HN 1.624 nan 8.190 nan 0.000 0.427 1390 A N 4.680 127.511 122.820 0.018 0.000 2.294 1390 A HA 0.943 5.264 4.320 0.000 0.000 0.330 1390 A C -1.541 176.044 177.584 0.002 0.000 1.133 1390 A CA -0.434 51.636 52.037 0.055 0.000 0.836 1390 A CB 1.307 20.389 19.000 0.137 0.000 1.190 1390 A HN 1.409 nan 8.150 nan 0.000 0.492 1391 Y N 0.818 121.050 120.300 -0.113 0.000 2.436 1391 Y HA 0.554 5.104 4.550 0.000 0.000 0.327 1391 Y C -1.527 174.335 175.900 -0.063 0.000 1.138 1391 Y CA -0.845 57.110 58.100 -0.243 0.000 1.042 1391 Y CB 1.317 39.677 38.460 -0.166 0.000 1.302 1391 Y HN 1.001 nan 8.280 nan 0.000 0.439 1392 Y N 1.835 121.532 120.300 -1.006 0.000 2.779 1392 Y HA 0.493 5.043 4.550 0.000 0.000 0.340 1392 Y C -0.905 174.589 175.900 -0.677 0.000 1.252 1392 Y CA -1.915 55.781 58.100 -0.674 0.000 1.072 1392 Y CB 0.619 38.925 38.460 -0.257 0.000 1.343 1392 Y HN 0.676 nan 8.280 nan 0.000 0.450 1393 R N 0.975 121.431 120.500 -0.073 0.000 2.486 1393 R HA 0.253 4.593 4.340 0.000 0.000 0.304 1393 R C 0.997 177.292 176.300 -0.009 0.000 0.913 1393 R CA 2.486 58.561 56.100 -0.041 0.000 1.124 1393 R CB -0.583 29.733 30.300 0.027 0.000 0.891 1393 R HN 1.348 nan 8.270 nan 0.000 0.410 1394 G N 2.683 111.446 108.800 -0.061 0.000 2.313 1394 G HA2 -0.239 3.721 3.960 0.000 0.000 0.215 1394 G HA3 -0.239 3.721 3.960 0.000 0.000 0.215 1394 G C -0.447 174.400 174.900 -0.089 0.000 1.023 1394 G CA -0.452 44.629 45.100 -0.031 0.000 0.626 1394 G HN 0.418 nan 8.290 nan 0.000 0.503 1395 L N 1.852 122.924 121.223 -0.252 0.000 2.395 1395 L HA 0.620 4.960 4.340 0.000 0.000 0.269 1395 L C 0.366 177.230 176.870 -0.011 0.000 1.133 1395 L CA -0.827 53.886 54.840 -0.211 0.000 0.812 1395 L CB 1.070 42.874 42.059 -0.424 0.000 1.125 1395 L HN 0.338 nan 8.230 nan 0.000 0.452 1396 D N -0.175 120.252 120.400 0.044 0.000 2.350 1396 D HA 0.179 4.819 4.640 0.000 0.000 0.249 1396 D C 1.195 177.596 176.300 0.167 0.000 1.119 1396 D CA -0.329 53.733 54.000 0.104 0.000 0.886 1396 D CB 1.213 42.046 40.800 0.056 0.000 1.195 1396 D HN 0.336 nan 8.370 nan 0.000 0.437 1397 V N 1.674 121.695 119.914 0.178 0.000 2.794 1397 V HA -0.224 3.896 4.120 0.000 0.000 0.260 1397 V C 2.224 178.325 176.094 0.012 0.000 1.103 1397 V CA 1.558 63.881 62.300 0.038 0.000 1.125 1397 V CB -1.047 30.785 31.823 0.014 0.000 0.702 1397 V HN 0.557 nan 8.190 nan 0.000 0.494 1398 S N 0.949 116.672 115.700 0.039 0.000 2.423 1398 S HA -0.194 4.276 4.470 0.000 0.000 0.238 1398 S C 1.944 176.547 174.600 0.006 0.000 1.028 1398 S CA 1.846 60.059 58.200 0.022 0.000 1.000 1398 S CB -0.594 62.620 63.200 0.024 0.000 0.797 1398 S HN 0.893 nan 8.310 nan 0.000 0.487 1399 V N -0.220 119.701 119.914 0.011 0.000 2.626 1399 V HA 0.117 4.237 4.120 0.000 0.000 0.252 1399 V C 0.971 177.040 176.094 -0.043 0.000 1.067 1399 V CA 0.878 63.175 62.300 -0.005 0.000 1.081 1399 V CB -0.938 30.890 31.823 0.010 0.000 0.686 1399 V HN 0.392 nan 8.190 nan 0.000 0.468 1400 I N 3.992 124.501 120.570 -0.102 0.000 2.379 1400 I HA 0.293 4.463 4.170 0.000 0.000 0.290 1400 I C -2.024 174.041 176.117 -0.087 0.000 1.063 1400 I CA -1.761 59.431 61.300 -0.179 0.000 1.351 1400 I CB 0.938 38.639 38.000 -0.498 0.000 1.410 1400 I HN 0.182 nan 8.210 nan 0.000 0.505 1401 P HA 0.111 nan 4.420 nan 0.000 0.280 1401 P C 0.543 177.846 177.300 0.005 0.000 1.244 1401 P CA -0.313 62.779 63.100 -0.013 0.000 0.784 1401 P CB 1.037 32.730 31.700 -0.011 0.000 0.913 1402 T N 0.434 115.002 114.554 0.024 0.000 3.043 1402 T HA 0.128 4.478 4.350 0.000 0.000 0.263 1402 T C 1.104 175.794 174.700 -0.018 0.000 1.094 1402 T CA 0.540 62.660 62.100 0.032 0.000 1.127 1402 T CB -0.194 68.690 68.868 0.026 0.000 0.905 1402 T HN 0.342 nan 8.240 nan 0.000 0.490 1403 I N 0.247 120.805 120.570 -0.020 0.000 2.892 1403 I HA 0.673 4.843 4.170 0.000 0.000 0.306 1403 I C 0.677 176.779 176.117 -0.025 0.000 1.078 1403 I CA -0.951 60.331 61.300 -0.031 0.000 1.032 1403 I CB 1.258 39.242 38.000 -0.028 0.000 1.229 1403 I HN 0.412 nan 8.210 nan 0.000 0.435 1404 G N 2.744 111.526 108.800 -0.029 0.000 2.733 1404 G HA2 -0.144 3.816 3.960 0.000 0.000 0.686 1404 G HA3 -0.144 3.816 3.960 0.000 0.000 0.686 1404 G C -0.823 174.068 174.900 -0.016 0.000 1.373 1404 G CA -0.894 44.194 45.100 -0.020 0.000 0.838 1404 G HN 0.738 nan 8.290 nan 0.000 0.588 1405 D N -0.580 119.814 120.400 -0.009 0.000 2.586 1405 D HA 0.352 4.992 4.640 0.000 0.000 0.234 1405 D C 0.633 176.944 176.300 0.017 0.000 1.132 1405 D CA 1.404 55.405 54.000 0.002 0.000 0.860 1405 D CB 1.496 42.305 40.800 0.016 0.000 1.159 1405 D HN 1.158 nan 8.370 nan 0.000 0.490 1406 V N 2.362 122.296 119.914 0.034 0.000 3.225 1406 V HA 0.368 4.488 4.120 0.000 0.000 0.293 1406 V C -1.584 174.556 176.094 0.077 0.000 1.405 1406 V CA -0.675 61.653 62.300 0.047 0.000 1.038 1406 V CB 2.497 34.342 31.823 0.037 0.000 1.123 1406 V HN 0.220 nan 8.190 nan 0.000 0.447 1407 V N 5.064 125.006 119.914 0.047 0.000 2.444 1407 V HA 0.572 4.692 4.120 0.000 0.000 0.294 1407 V C -0.427 175.634 176.094 -0.055 0.000 1.022 1407 V CA -0.521 61.792 62.300 0.021 0.000 0.850 1407 V CB 1.849 33.681 31.823 0.014 0.000 0.992 1407 V HN 0.685 nan 8.190 nan 0.000 0.426 1408 V N 5.919 125.736 119.914 -0.162 0.000 2.398 1408 V HA 0.444 4.564 4.120 0.000 0.000 0.286 1408 V C -0.182 175.773 176.094 -0.231 0.000 1.026 1408 V CA -0.522 61.652 62.300 -0.210 0.000 0.868 1408 V CB 2.017 33.633 31.823 -0.344 0.000 0.982 1408 V HN 0.611 nan 8.190 nan 0.000 0.443 1409 V N 4.802 124.654 119.914 -0.104 0.000 2.311 1409 V HA 0.847 4.967 4.120 0.000 0.000 0.275 1409 V C 0.305 176.414 176.094 0.026 0.000 1.022 1409 V CA -0.197 62.081 62.300 -0.036 0.000 0.830 1409 V CB 0.873 32.724 31.823 0.047 0.000 1.012 1409 V HN 0.999 nan 8.190 nan 0.000 0.452 1410 A N 3.425 126.232 122.820 -0.021 0.000 2.527 1410 A HA 0.890 5.210 4.320 0.000 0.000 0.293 1410 A C -0.318 177.405 177.584 0.232 0.000 1.117 1410 A CA -0.542 51.560 52.037 0.109 0.000 0.723 1410 A CB 2.152 21.195 19.000 0.071 0.000 1.313 1410 A HN 0.539 nan 8.150 nan 0.000 0.411 1411 T N -1.149 113.585 114.554 0.301 0.000 2.897 1411 T HA 0.313 4.663 4.350 0.000 0.000 0.278 1411 T C 0.380 175.319 174.700 0.399 0.000 0.981 1411 T CA -0.212 62.071 62.100 0.305 0.000 0.973 1411 T CB 0.534 69.510 68.868 0.180 0.000 1.092 1411 T HN 0.520 nan 8.240 nan 0.000 0.543 1412 D N 1.086 121.655 120.400 0.282 0.000 2.351 1412 D HA 0.006 4.646 4.640 0.000 0.000 0.216 1412 D C 1.922 178.366 176.300 0.240 0.000 0.968 1412 D CA 0.723 54.860 54.000 0.229 0.000 0.899 1412 D CB -0.290 40.564 40.800 0.090 0.000 0.907 1412 D HN 0.564 nan 8.370 nan 0.000 0.514 1413 A N 0.759 123.724 122.820 0.241 0.000 2.024 1413 A HA -0.180 4.140 4.320 0.000 0.000 0.220 1413 A C 2.135 179.960 177.584 0.402 0.000 1.164 1413 A CA 0.767 52.950 52.037 0.245 0.000 0.643 1413 A CB -0.631 18.461 19.000 0.154 0.000 0.806 1413 A HN 0.297 nan 8.150 nan 0.000 0.451 1414 L N -1.502 120.019 121.223 0.496 0.000 2.137 1414 L HA -0.228 4.112 4.340 0.000 0.000 0.213 1414 L C 2.278 179.333 176.870 0.308 0.000 1.085 1414 L CA 2.268 57.367 54.840 0.432 0.000 0.760 1414 L CB -0.334 41.951 42.059 0.377 0.000 0.893 1414 L HN 0.350 nan 8.230 nan 0.000 0.434 1415 M N -1.427 118.338 119.600 0.274 0.000 2.159 1415 M HA -0.163 4.318 4.480 0.000 0.000 0.263 1415 M C 2.300 178.679 176.300 0.130 0.000 1.063 1415 M CA 2.137 57.550 55.300 0.189 0.000 1.110 1415 M CB -0.875 31.814 32.600 0.149 0.000 1.374 1415 M HN 0.336 nan 8.290 nan 0.000 0.411 1416 T N -1.716 112.921 114.554 0.138 0.000 3.051 1416 T HA 0.153 4.503 4.350 0.000 0.000 0.255 1416 T C 1.619 176.380 174.700 0.102 0.000 1.085 1416 T CA 1.076 63.233 62.100 0.096 0.000 1.109 1416 T CB -0.167 68.753 68.868 0.086 0.000 0.921 1416 T HN 0.471 nan 8.240 nan 0.000 0.488 1417 G N -0.941 107.960 108.800 0.168 0.000 2.595 1417 G HA2 0.164 4.124 3.960 0.000 0.000 0.213 1417 G HA3 0.164 4.124 3.960 0.000 0.000 0.213 1417 G C -0.084 174.860 174.900 0.073 0.000 1.141 1417 G CA 0.025 45.217 45.100 0.153 0.000 0.806 1417 G HN 0.514 nan 8.290 nan 0.000 0.530 1418 Y N 2.000 122.238 120.300 -0.104 0.000 2.421 1418 Y HA 0.510 5.061 4.550 0.000 0.000 0.339 1418 Y C -0.589 175.267 175.900 -0.072 0.000 0.996 1418 Y CA -1.233 56.785 58.100 -0.137 0.000 1.046 1418 Y CB 1.768 40.093 38.460 -0.225 0.000 1.226 1418 Y HN 0.037 nan 8.280 nan 0.000 0.445 1419 T N 2.068 116.187 114.554 -0.724 0.000 2.824 1419 T HA 0.922 5.272 4.350 0.000 0.000 0.280 1419 T C -0.079 173.994 174.700 -1.045 0.000 0.995 1419 T CA -0.349 61.395 62.100 -0.594 0.000 1.009 1419 T CB 1.532 70.153 68.868 -0.411 0.000 0.955 1419 T HN 1.268 nan 8.240 nan 0.000 0.452 1420 G N 1.430 109.878 108.800 -0.587 0.000 2.368 1420 G HA2 0.428 4.389 3.960 0.000 0.000 0.303 1420 G HA3 0.428 4.389 3.960 0.000 0.000 0.303 1420 G C -2.056 172.715 174.900 -0.214 0.000 1.590 1420 G CA -0.845 43.970 45.100 -0.476 0.000 0.938 1420 G HN 0.679 nan 8.290 nan 0.000 0.675 1421 D N -0.800 119.409 120.400 -0.319 0.000 2.449 1421 D HA 0.864 5.504 4.640 0.000 0.000 0.250 1421 D C -0.710 175.279 176.300 -0.519 0.000 1.050 1421 D CA -0.089 53.790 54.000 -0.201 0.000 1.024 1421 D CB 1.610 42.339 40.800 -0.118 0.000 1.218 1421 D HN 0.178 nan 8.370 nan 0.000 0.566 1422 F N -0.186 119.776 119.950 0.019 0.000 2.613 1422 F HA 0.213 4.740 4.527 0.000 0.000 0.314 1422 F C 1.230 177.011 175.800 -0.031 0.000 1.075 1422 F CA -0.766 57.225 58.000 -0.016 0.000 0.945 1422 F CB 1.615 40.613 39.000 -0.004 0.000 1.310 1422 F HN 0.089 nan 8.300 nan 0.000 0.467 1423 D N 0.122 120.564 120.400 0.071 0.000 2.178 1423 D HA -0.044 4.596 4.640 0.000 0.000 0.201 1423 D C 0.637 177.016 176.300 0.132 0.000 0.980 1423 D CA 1.403 55.417 54.000 0.022 0.000 0.842 1423 D CB 0.129 40.864 40.800 -0.107 0.000 0.948 1423 D HN 0.361 nan 8.370 nan 0.000 0.472 1424 S N -1.091 114.743 115.700 0.223 0.000 2.596 1424 S HA 0.520 4.990 4.470 0.000 0.000 0.270 1424 S C -1.213 173.507 174.600 0.199 0.000 1.155 1424 S CA -0.903 57.443 58.200 0.243 0.000 0.827 1424 S CB 2.305 65.671 63.200 0.277 0.000 1.130 1424 S HN -0.008 nan 8.310 nan 0.000 0.467 1425 V N 1.470 121.485 119.914 0.169 0.000 2.760 1425 V HA 0.780 4.900 4.120 0.000 0.000 0.309 1425 V C -1.655 174.459 176.094 0.033 0.000 1.077 1425 V CA -0.908 61.466 62.300 0.123 0.000 0.910 1425 V CB 1.362 33.358 31.823 0.288 0.000 1.008 1425 V HN 0.988 nan 8.190 nan 0.000 0.424 1426 I N 5.166 125.692 120.570 -0.074 0.000 2.389 1426 I HA 0.538 4.708 4.170 0.000 0.000 0.288 1426 I C -1.072 175.033 176.117 -0.019 0.000 0.999 1426 I CA -0.258 60.924 61.300 -0.197 0.000 1.129 1426 I CB 1.793 39.549 38.000 -0.406 0.000 1.288 1426 I HN 0.655 nan 8.210 nan 0.000 0.444 1427 D N 5.005 125.423 120.400 0.030 0.000 2.408 1427 D HA 0.228 4.868 4.640 0.000 0.000 0.243 1427 D C 0.784 177.225 176.300 0.235 0.000 1.075 1427 D CA -0.718 53.423 54.000 0.235 0.000 0.832 1427 D CB 1.706 42.677 40.800 0.285 0.000 1.162 1427 D HN 0.702 nan 8.370 nan 0.000 0.515 1428 C N 2.564 121.983 119.300 0.199 0.000 2.437 1428 C HA 0.142 4.602 4.460 0.000 0.000 0.283 1428 C C 1.063 175.935 174.990 -0.197 0.000 1.424 1428 C CA 0.157 59.019 59.018 -0.260 0.000 1.782 1428 C CB -1.674 25.348 27.740 -1.195 0.000 1.833 1428 C HN 0.871 nan 8.230 nan 0.000 0.532 1429 N N 0.355 119.037 118.700 -0.030 0.000 2.878 1429 N HA -0.155 4.585 4.740 0.000 0.000 0.247 1429 N C -0.081 175.403 175.510 -0.044 0.000 1.021 1429 N CA 1.094 54.143 53.050 -0.002 0.000 0.873 1429 N CB -1.713 36.794 38.487 0.034 0.000 1.128 1429 N HN 0.906 nan 8.380 nan 0.000 0.571 1430 T N -3.202 111.301 114.554 -0.084 0.000 2.906 1430 T HA 0.841 5.191 4.350 0.000 0.000 0.295 1430 T C -0.249 174.464 174.700 0.023 0.000 1.075 1430 T CA -0.673 61.395 62.100 -0.054 0.000 1.005 1430 T CB 2.451 71.245 68.868 -0.123 0.000 1.136 1430 T HN 0.164 nan 8.240 nan 0.000 0.498 1431 C N 0.673 120.004 119.300 0.052 0.000 3.080 1431 C HA 0.827 5.287 4.460 0.000 0.000 0.307 1431 C C -0.255 174.805 174.990 0.117 0.000 1.311 1431 C CA -0.829 58.245 59.018 0.094 0.000 1.533 1431 C CB 1.673 29.444 27.740 0.051 0.000 1.970 1431 C HN 0.888 nan 8.230 nan 0.000 0.467 1432 V N 1.271 121.258 119.914 0.122 0.000 2.435 1432 V HA 0.741 4.861 4.120 0.000 0.000 0.290 1432 V C 0.249 176.390 176.094 0.078 0.000 1.030 1432 V CA 0.293 62.662 62.300 0.115 0.000 0.881 1432 V CB 1.717 33.604 31.823 0.108 0.000 0.983 1432 V HN 1.024 nan 8.190 nan 0.000 0.445 1433 T N 4.135 118.736 114.554 0.077 0.000 2.887 1433 T HA 0.583 4.933 4.350 0.000 0.000 0.292 1433 T C -1.167 173.584 174.700 0.084 0.000 1.087 1433 T CA -0.496 61.647 62.100 0.072 0.000 1.009 1433 T CB 2.005 70.914 68.868 0.068 0.000 1.203 1433 T HN 0.713 nan 8.240 nan 0.000 0.518 1434 Q N 1.122 120.980 119.800 0.097 0.000 2.365 1434 Q HA 0.656 4.996 4.340 0.000 0.000 0.269 1434 Q C -1.070 175.003 176.000 0.122 0.000 1.061 1434 Q CA -0.937 54.943 55.803 0.127 0.000 0.816 1434 Q CB 2.297 31.148 28.738 0.189 0.000 1.325 1434 Q HN 0.813 nan 8.270 nan 0.000 0.446 1435 T N -2.136 112.482 114.554 0.107 0.000 2.933 1435 T HA 0.484 4.834 4.350 0.000 0.000 0.305 1435 T C -0.972 173.763 174.700 0.058 0.000 1.092 1435 T CA -0.720 61.429 62.100 0.082 0.000 1.008 1435 T CB 1.429 70.328 68.868 0.051 0.000 1.102 1435 T HN 0.360 nan 8.240 nan 0.000 0.469 1436 V N 2.128 122.057 119.914 0.026 0.000 2.546 1436 V HA 0.520 4.640 4.120 0.000 0.000 0.284 1436 V C -0.737 175.191 176.094 -0.276 0.000 1.050 1436 V CA -0.127 62.137 62.300 -0.060 0.000 0.981 1436 V CB 1.197 33.002 31.823 -0.029 0.000 0.990 1436 V HN 1.056 nan 8.190 nan 0.000 0.474 1437 D N 5.221 125.490 120.400 -0.219 0.000 2.492 1437 D HA 0.309 4.949 4.640 0.000 0.000 0.248 1437 D C -0.677 175.495 176.300 -0.213 0.000 1.101 1437 D CA -0.423 53.450 54.000 -0.211 0.000 0.840 1437 D CB 1.194 41.971 40.800 -0.038 0.000 1.209 1437 D HN 0.366 nan 8.370 nan 0.000 0.524 1438 F N 2.479 122.459 119.950 0.050 0.000 2.669 1438 F HA 0.101 4.628 4.527 0.000 0.000 0.353 1438 F C 2.067 177.878 175.800 0.019 0.000 1.192 1438 F CA -0.390 57.612 58.000 0.003 0.000 1.317 1438 F CB -0.359 38.536 39.000 -0.176 0.000 1.652 1438 F HN 0.254 nan 8.300 nan 0.000 0.608 1439 S N -0.244 115.549 115.700 0.155 0.000 2.447 1439 S HA -0.126 4.344 4.470 0.000 0.000 0.233 1439 S C 1.097 175.748 174.600 0.084 0.000 1.006 1439 S CA 0.194 58.453 58.200 0.098 0.000 0.957 1439 S CB -0.525 62.715 63.200 0.067 0.000 0.773 1439 S HN 0.582 nan 8.310 nan 0.000 0.507 1440 L N 1.461 122.745 121.223 0.102 0.000 3.608 1440 L HA -0.164 4.176 4.340 0.000 0.000 0.422 1440 L C -1.088 175.803 176.870 0.035 0.000 1.260 1440 L CA 0.620 55.500 54.840 0.066 0.000 0.889 1440 L CB -2.203 39.884 42.059 0.046 0.000 1.821 1440 L HN 0.558 nan 8.230 nan 0.000 0.884 1441 D N -1.956 118.459 120.400 0.026 0.000 2.879 1441 D HA 0.288 4.928 4.640 0.000 0.000 0.351 1441 D C -1.565 174.721 176.300 -0.023 0.000 1.239 1441 D CA -1.228 52.773 54.000 0.002 0.000 0.771 1441 D CB 0.560 41.364 40.800 0.007 0.000 1.176 1441 D HN 0.131 nan 8.370 nan 0.000 0.496 1442 P HA 0.012 nan 4.420 nan 0.000 0.238 1442 P C 0.847 178.157 177.300 0.017 0.000 1.183 1442 P CA 0.748 63.839 63.100 -0.015 0.000 0.813 1442 P CB 0.934 32.614 31.700 -0.034 0.000 0.944 1443 T N -2.390 112.173 114.554 0.015 0.000 3.409 1443 T HA 0.382 4.732 4.350 0.000 0.000 0.188 1443 T C 0.356 175.204 174.700 0.245 0.000 0.929 1443 T CA -0.050 62.120 62.100 0.117 0.000 1.184 1443 T CB -0.374 68.555 68.868 0.100 0.000 1.570 1443 T HN 0.066 nan 8.240 nan 0.000 0.367 1444 F N 0.603 120.675 119.950 0.203 0.000 2.664 1444 F HA 0.864 5.391 4.527 0.000 0.000 0.317 1444 F C -1.482 174.399 175.800 0.135 0.000 1.108 1444 F CA -1.109 57.002 58.000 0.185 0.000 0.957 1444 F CB 1.577 40.752 39.000 0.292 0.000 1.365 1444 F HN 0.231 nan 8.300 nan 0.000 0.475 1445 T N 3.102 117.832 114.554 0.293 0.000 2.886 1445 T HA 0.575 4.925 4.350 0.000 0.000 0.292 1445 T C -1.073 173.754 174.700 0.211 0.000 1.012 1445 T CA -0.447 61.746 62.100 0.156 0.000 0.982 1445 T CB 1.702 70.612 68.868 0.071 0.000 1.018 1445 T HN 0.495 nan 8.240 nan 0.000 0.451 1446 I N 3.183 123.837 120.570 0.141 0.000 2.330 1446 I HA 0.392 4.562 4.170 0.000 0.000 0.289 1446 I C 0.408 176.570 176.117 0.076 0.000 1.001 1446 I CA -0.700 60.653 61.300 0.088 0.000 1.193 1446 I CB 1.075 39.031 38.000 -0.074 0.000 1.345 1446 I HN 0.694 nan 8.210 nan 0.000 0.461 1447 E N 3.694 123.943 120.200 0.081 0.000 2.227 1447 E HA 0.557 4.907 4.350 0.000 0.000 0.268 1447 E C -0.583 176.071 176.600 0.090 0.000 0.990 1447 E CA -0.596 55.849 56.400 0.075 0.000 0.856 1447 E CB 1.640 31.375 29.700 0.058 0.000 1.159 1447 E HN 0.379 nan 8.360 nan 0.000 0.401 1448 T N 1.776 116.379 114.554 0.082 0.000 2.864 1448 T HA 0.421 4.771 4.350 0.000 0.000 0.299 1448 T C -0.785 173.960 174.700 0.075 0.000 1.011 1448 T CA -0.732 61.419 62.100 0.086 0.000 0.975 1448 T CB 0.823 69.742 68.868 0.085 0.000 0.962 1448 T HN 0.595 nan 8.240 nan 0.000 0.448 1449 T N -0.402 114.197 114.554 0.075 0.000 2.916 1449 T HA 0.743 5.093 4.350 0.000 0.000 0.292 1449 T C -0.103 174.644 174.700 0.078 0.000 1.055 1449 T CA -0.905 61.236 62.100 0.068 0.000 1.009 1449 T CB 1.910 70.811 68.868 0.055 0.000 1.118 1449 T HN 0.435 nan 8.240 nan 0.000 0.497 1450 T N 0.516 115.113 114.554 0.072 0.000 2.749 1450 T HA 0.638 4.988 4.350 0.000 0.000 0.287 1450 T C 0.038 174.753 174.700 0.026 0.000 0.970 1450 T CA -0.368 61.774 62.100 0.070 0.000 0.980 1450 T CB 0.049 68.959 68.868 0.071 0.000 0.924 1450 T HN 1.235 nan 8.240 nan 0.000 0.456 1451 V N 1.720 121.651 119.914 0.030 0.000 3.155 1451 V HA 0.864 4.984 4.120 0.000 0.000 0.313 1451 V C -3.002 173.097 176.094 0.008 0.000 1.162 1451 V CA -3.283 59.028 62.300 0.018 0.000 1.048 1451 V CB 1.267 33.108 31.823 0.030 0.000 1.092 1451 V HN 0.627 nan 8.190 nan 0.000 0.447 1452 P HA 0.189 nan 4.420 nan 0.000 0.267 1452 P C -0.482 176.823 177.300 0.007 0.000 1.205 1452 P CA 0.062 63.164 63.100 0.003 0.000 0.765 1452 P CB 0.223 31.928 31.700 0.008 0.000 0.828 1453 Q N 3.341 123.142 119.800 0.001 0.000 2.474 1453 Q HA 0.082 4.422 4.340 0.000 0.000 0.256 1453 Q C -0.193 175.807 176.000 0.001 0.000 1.048 1453 Q CA -0.142 55.660 55.803 -0.001 0.000 0.922 1453 Q CB 0.462 29.194 28.738 -0.011 0.000 1.288 1453 Q HN 0.447 nan 8.270 nan 0.000 0.484 1454 D N 1.032 121.434 120.400 0.004 0.000 2.487 1454 D HA 0.284 4.924 4.640 0.000 0.000 0.262 1454 D C 0.506 176.800 176.300 -0.010 0.000 1.130 1454 D CA -0.081 53.924 54.000 0.008 0.000 1.038 1454 D CB 0.822 41.640 40.800 0.030 0.000 1.142 1454 D HN 0.618 nan 8.370 nan 0.000 0.575 1455 A N 0.154 122.968 122.820 -0.009 0.000 1.883 1455 A HA -0.140 4.180 4.320 0.000 0.000 0.217 1455 A C 2.367 179.918 177.584 -0.055 0.000 1.186 1455 A CA 3.028 55.045 52.037 -0.033 0.000 0.624 1455 A CB -1.324 17.662 19.000 -0.025 0.000 0.822 1455 A HN 0.736 nan 8.150 nan 0.000 0.444 1456 V N -1.801 118.087 119.914 -0.044 0.000 2.427 1456 V HA -0.160 3.960 4.120 0.000 0.000 0.248 1456 V C 2.352 178.413 176.094 -0.054 0.000 1.051 1456 V CA 2.797 65.052 62.300 -0.076 0.000 1.048 1456 V CB -1.062 30.721 31.823 -0.067 0.000 0.666 1456 V HN 0.563 nan 8.190 nan 0.000 0.456 1457 S N 0.561 116.241 115.700 -0.034 0.000 2.359 1457 S HA -0.307 4.163 4.470 0.000 0.000 0.224 1457 S C 2.366 176.906 174.600 -0.099 0.000 1.035 1457 S CA 2.079 60.243 58.200 -0.061 0.000 1.018 1457 S CB -0.708 62.463 63.200 -0.048 0.000 0.876 1457 S HN 0.744 nan 8.310 nan 0.000 0.448 1458 R N 0.011 120.463 120.500 -0.080 0.000 2.115 1458 R HA 0.025 4.365 4.340 0.000 0.000 0.230 1458 R C 2.214 178.418 176.300 -0.159 0.000 1.111 1458 R CA 1.521 57.566 56.100 -0.091 0.000 0.976 1458 R CB -0.370 29.888 30.300 -0.070 0.000 0.870 1458 R HN 0.448 nan 8.270 nan 0.000 0.445 1459 S N 0.441 116.060 115.700 -0.135 0.000 2.414 1459 S HA -0.033 4.437 4.470 0.000 0.000 0.227 1459 S C 1.673 176.212 174.600 -0.101 0.000 1.022 1459 S CA 0.594 58.713 58.200 -0.135 0.000 0.958 1459 S CB 0.135 63.268 63.200 -0.113 0.000 0.797 1459 S HN 0.404 nan 8.310 nan 0.000 0.493 1460 Q N 0.951 120.700 119.800 -0.085 0.000 2.137 1460 Q HA 0.063 4.403 4.340 0.000 0.000 0.198 1460 Q C 2.247 178.217 176.000 -0.051 0.000 0.960 1460 Q CA 0.706 56.484 55.803 -0.042 0.000 0.847 1460 Q CB -0.163 28.562 28.738 -0.021 0.000 0.915 1460 Q HN 0.474 nan 8.270 nan 0.000 0.448 1461 R N 0.777 121.182 120.500 -0.157 0.000 2.062 1461 R HA -0.078 4.262 4.340 0.000 0.000 0.231 1461 R C 2.409 178.786 176.300 0.127 0.000 1.136 1461 R CA 1.164 57.147 56.100 -0.195 0.000 0.948 1461 R CB -0.319 29.742 30.300 -0.399 0.000 0.845 1461 R HN 0.134 nan 8.270 nan 0.000 0.430 1462 R N 0.681 121.151 120.500 -0.050 0.000 2.152 1462 R HA -0.090 4.250 4.340 0.000 0.000 0.232 1462 R C 1.923 178.196 176.300 -0.045 0.000 1.117 1462 R CA 1.513 57.507 56.100 -0.175 0.000 0.981 1462 R CB -0.381 29.471 30.300 -0.747 0.000 0.870 1462 R HN 0.288 nan 8.270 nan 0.000 0.451 1463 G N 0.512 109.298 108.800 -0.023 0.000 2.708 1463 G HA2 -0.162 3.798 3.960 0.000 0.000 0.210 1463 G HA3 -0.162 3.798 3.960 0.000 0.000 0.210 1463 G C 0.943 175.892 174.900 0.082 0.000 1.141 1463 G CA -0.126 44.978 45.100 0.008 0.000 0.788 1463 G HN 0.232 nan 8.290 nan 0.000 0.531 1464 R N 0.006 120.617 120.500 0.184 0.000 2.320 1464 R HA 0.118 4.458 4.340 0.000 0.000 0.211 1464 R C 0.432 176.877 176.300 0.240 0.000 0.931 1464 R CA 0.175 56.435 56.100 0.265 0.000 1.071 1464 R CB -0.283 30.279 30.300 0.437 0.000 1.025 1464 R HN 0.260 nan 8.270 nan 0.000 0.495 1465 T N -2.184 112.454 114.554 0.140 0.000 2.865 1465 T HA 0.469 4.819 4.350 0.000 0.000 0.294 1465 T C 0.519 175.201 174.700 -0.029 0.000 1.119 1465 T CA 0.391 62.548 62.100 0.095 0.000 1.007 1465 T CB 1.690 70.642 68.868 0.139 0.000 1.225 1465 T HN 0.311 nan 8.240 nan 0.000 0.515 1466 G N 2.038 110.812 108.800 -0.043 0.000 2.179 1466 G HA2 -0.172 3.788 3.960 0.000 0.000 0.260 1466 G HA3 -0.172 3.788 3.960 0.000 0.000 0.260 1466 G C 0.223 175.092 174.900 -0.053 0.000 0.977 1466 G CA -0.015 45.012 45.100 -0.122 0.000 0.641 1466 G HN 0.680 nan 8.290 nan 0.000 0.533 1467 R N 0.625 121.118 120.500 -0.013 0.000 2.296 1467 R HA 0.488 4.828 4.340 0.000 0.000 0.327 1467 R C 1.397 177.709 176.300 0.021 0.000 1.137 1467 R CA 0.634 56.748 56.100 0.024 0.000 1.020 1467 R CB 0.031 30.338 30.300 0.013 0.000 1.110 1467 R HN 1.320 nan 8.270 nan 0.000 0.499 1468 G N 3.243 112.067 108.800 0.040 0.000 2.162 1468 G HA2 -0.342 3.618 3.960 0.000 0.000 0.260 1468 G HA3 -0.342 3.618 3.960 0.000 0.000 0.260 1468 G C 0.059 174.970 174.900 0.018 0.000 0.976 1468 G CA 0.857 45.974 45.100 0.028 0.000 0.655 1468 G HN 0.620 nan 8.290 nan 0.000 0.533 1469 R N -1.528 118.983 120.500 0.018 0.000 2.740 1469 R HA 0.770 5.110 4.340 0.000 0.000 0.273 1469 R C -0.300 176.013 176.300 0.022 0.000 0.998 1469 R CA -1.230 54.877 56.100 0.013 0.000 0.900 1469 R CB 1.243 31.542 30.300 -0.001 0.000 1.223 1469 R HN 0.106 nan 8.270 nan 0.000 0.466 1470 R N 0.361 120.877 120.500 0.027 0.000 2.491 1470 R HA 0.410 4.750 4.340 0.000 0.000 0.283 1470 R C -0.126 176.196 176.300 0.037 0.000 1.072 1470 R CA 0.640 56.762 56.100 0.036 0.000 1.048 1470 R CB 1.395 31.717 30.300 0.038 0.000 0.983 1470 R HN 0.824 nan 8.270 nan 0.000 0.450 1471 G N 2.113 110.936 108.800 0.039 0.000 2.605 1471 G HA2 0.626 4.586 3.960 0.000 0.000 0.296 1471 G HA3 0.626 4.586 3.960 0.000 0.000 0.296 1471 G C -1.049 173.902 174.900 0.085 0.000 1.304 1471 G CA -0.597 44.537 45.100 0.057 0.000 0.941 1471 G HN 0.377 nan 8.290 nan 0.000 0.475 1472 I N 0.555 121.196 120.570 0.119 0.000 2.465 1472 I HA 0.314 4.484 4.170 0.000 0.000 0.291 1472 I C -1.580 174.656 176.117 0.198 0.000 1.014 1472 I CA -0.799 60.582 61.300 0.134 0.000 1.093 1472 I CB 2.346 40.402 38.000 0.093 0.000 1.267 1472 I HN 0.549 nan 8.210 nan 0.000 0.431 1473 Y N 6.845 127.196 120.300 0.086 0.000 2.326 1473 Y HA 0.509 5.059 4.550 0.000 0.000 0.331 1473 Y C -0.799 175.191 175.900 0.151 0.000 0.962 1473 Y CA -0.782 57.394 58.100 0.126 0.000 1.167 1473 Y CB 0.920 39.468 38.460 0.146 0.000 1.148 1473 Y HN 0.469 nan 8.280 nan 0.000 0.463 1474 R N 6.535 126.809 120.500 -0.376 0.000 2.514 1474 R HA 0.613 4.954 4.340 0.000 0.000 0.301 1474 R C -1.498 174.505 176.300 -0.494 0.000 0.962 1474 R CA -0.766 55.082 56.100 -0.421 0.000 0.882 1474 R CB 1.510 31.624 30.300 -0.309 0.000 1.143 1474 R HN 0.605 nan 8.270 nan 0.000 0.452 1475 F N -1.590 118.144 119.950 -0.360 0.000 2.603 1475 F HA 0.517 5.044 4.527 0.000 0.000 0.317 1475 F C 0.372 176.144 175.800 -0.047 0.000 1.066 1475 F CA -1.322 56.530 58.000 -0.247 0.000 0.941 1475 F CB 0.499 39.370 39.000 -0.216 0.000 1.291 1475 F HN 0.089 nan 8.300 nan 0.000 0.472 1476 V N -0.103 119.972 119.914 0.269 0.000 2.426 1476 V HA 0.083 4.203 4.120 0.000 0.000 0.242 1476 V C 0.843 177.102 176.094 0.274 0.000 1.036 1476 V CA 1.760 64.185 62.300 0.208 0.000 1.044 1476 V CB -0.124 31.788 31.823 0.149 0.000 0.688 1476 V HN 1.009 nan 8.190 nan 0.000 0.462 1477 T N -2.837 111.902 114.554 0.309 0.000 2.906 1477 T HA 0.457 4.807 4.350 0.000 0.000 0.295 1477 T C -2.356 172.413 174.700 0.116 0.000 1.061 1477 T CA -1.716 60.528 62.100 0.239 0.000 1.000 1477 T CB 2.321 71.254 68.868 0.108 0.000 1.103 1477 T HN 0.035 nan 8.240 nan 0.000 0.486 1478 P HA 0.200 nan 4.420 nan 0.000 0.235 1478 P C 1.170 178.389 177.300 -0.135 0.000 1.177 1478 P CA 0.203 63.161 63.100 -0.237 0.000 0.785 1478 P CB -0.428 31.209 31.700 -0.106 0.000 0.885 1479 G N 0.651 109.423 108.800 -0.045 0.000 2.846 1479 G HA2 0.091 4.051 3.960 0.000 0.000 0.257 1479 G HA3 0.091 4.051 3.960 0.000 0.000 0.257 1479 G C -0.615 174.262 174.900 -0.037 0.000 1.253 1479 G CA 0.033 45.117 45.100 -0.027 0.000 0.918 1479 G HN 0.324 nan 8.290 nan 0.000 0.597 1480 E N -1.183 119.004 120.200 -0.020 0.000 3.287 1480 E HA 0.186 4.537 4.350 0.000 0.000 0.355 1480 E C -0.527 176.068 176.600 -0.008 0.000 1.027 1480 E CA -0.606 55.782 56.400 -0.019 0.000 0.840 1480 E CB 0.899 30.578 29.700 -0.035 0.000 1.273 1480 E HN 0.531 nan 8.360 nan 0.000 0.458 1481 R N 3.272 123.771 120.500 -0.002 0.000 2.543 1481 R HA 0.429 4.769 4.340 0.000 0.000 0.268 1481 R C -2.109 174.191 176.300 -0.001 0.000 1.067 1481 R CA -1.643 54.456 56.100 -0.001 0.000 1.142 1481 R CB 0.557 30.861 30.300 0.007 0.000 1.110 1481 R HN 0.359 nan 8.270 nan 0.000 0.549 1482 P HA -0.033 nan 4.420 nan 0.000 0.267 1482 P C -0.683 176.662 177.300 0.075 0.000 1.205 1482 P CA 0.070 63.160 63.100 -0.017 0.000 0.765 1482 P CB 1.036 32.611 31.700 -0.209 0.000 0.828 1483 S N 1.434 117.214 115.700 0.134 0.000 2.707 1483 S HA 0.631 5.101 4.470 0.000 0.000 0.276 1483 S C 1.068 175.801 174.600 0.221 0.000 1.179 1483 S CA 0.150 58.435 58.200 0.142 0.000 0.992 1483 S CB 0.638 63.886 63.200 0.080 0.000 1.030 1483 S HN 0.840 nan 8.310 nan 0.000 0.554 1484 G N -0.157 108.750 108.800 0.178 0.000 2.157 1484 G HA2 -0.179 3.781 3.960 0.000 0.000 0.239 1484 G HA3 -0.179 3.781 3.960 0.000 0.000 0.239 1484 G C -0.275 174.747 174.900 0.203 0.000 0.982 1484 G CA 0.323 45.521 45.100 0.164 0.000 0.650 1484 G HN 0.739 nan 8.290 nan 0.000 0.527 1485 M N -0.553 119.187 119.600 0.234 0.000 2.572 1485 M HA 0.779 5.259 4.480 0.000 0.000 0.299 1485 M C -0.460 176.005 176.300 0.275 0.000 1.205 1485 M CA -1.117 54.296 55.300 0.188 0.000 0.876 1485 M CB 2.332 35.020 32.600 0.146 0.000 1.728 1485 M HN 0.441 nan 8.290 nan 0.000 0.458 1486 F N -1.307 118.676 119.950 0.054 0.000 2.631 1486 F HA 0.709 5.236 4.527 0.000 0.000 0.308 1486 F C -1.124 174.693 175.800 0.027 0.000 1.097 1486 F CA -1.200 56.819 58.000 0.032 0.000 0.952 1486 F CB 0.942 39.949 39.000 0.012 0.000 1.307 1486 F HN 0.513 nan 8.300 nan 0.000 0.450 1487 D N 0.755 121.308 120.400 0.254 0.000 2.313 1487 D HA 0.204 4.844 4.640 0.000 0.000 0.247 1487 D C 1.134 177.564 176.300 0.217 0.000 1.094 1487 D CA 0.071 54.162 54.000 0.152 0.000 0.925 1487 D CB 1.980 42.864 40.800 0.139 0.000 1.188 1487 D HN 0.695 nan 8.370 nan 0.000 0.430 1488 S N 0.868 116.690 115.700 0.203 0.000 2.440 1488 S HA -0.194 4.276 4.470 0.000 0.000 0.238 1488 S C 1.875 176.658 174.600 0.304 0.000 1.010 1488 S CA 1.691 60.119 58.200 0.379 0.000 0.972 1488 S CB -0.465 63.154 63.200 0.699 0.000 0.774 1488 S HN 0.553 nan 8.310 nan 0.000 0.501 1489 S N 0.272 116.100 115.700 0.212 0.000 2.423 1489 S HA -0.020 4.450 4.470 0.000 0.000 0.231 1489 S C 1.710 176.345 174.600 0.059 0.000 1.014 1489 S CA 1.058 59.323 58.200 0.107 0.000 0.965 1489 S CB -0.588 62.725 63.200 0.189 0.000 0.785 1489 S HN 0.355 nan 8.310 nan 0.000 0.495 1490 V N 1.271 121.249 119.914 0.107 0.000 2.515 1490 V HA -0.059 4.061 4.120 0.000 0.000 0.250 1490 V C 2.448 178.516 176.094 -0.043 0.000 1.058 1490 V CA 1.212 63.523 62.300 0.018 0.000 1.064 1490 V CB -0.817 31.031 31.823 0.040 0.000 0.675 1490 V HN 0.362 nan 8.190 nan 0.000 0.461 1491 L N -0.466 120.769 121.223 0.020 0.000 2.027 1491 L HA -0.142 4.198 4.340 0.000 0.000 0.206 1491 L C 2.577 179.313 176.870 -0.222 0.000 1.074 1491 L CA 2.035 56.862 54.840 -0.022 0.000 0.745 1491 L CB -1.199 40.954 42.059 0.157 0.000 0.898 1491 L HN 0.503 nan 8.230 nan 0.000 0.433 1492 C N -0.057 118.830 119.300 -0.688 0.000 2.413 1492 C HA -0.186 4.274 4.460 0.000 0.000 0.276 1492 C C 2.646 177.564 174.990 -0.120 0.000 1.248 1492 C CA 1.023 59.568 59.018 -0.789 0.000 1.742 1492 C CB -0.725 26.242 27.740 -1.287 0.000 2.017 1492 C HN 0.579 nan 8.230 nan 0.000 0.481 1493 E N -0.600 119.575 120.200 -0.043 0.000 2.204 1493 E HA -0.204 4.146 4.350 0.000 0.000 0.195 1493 E C 2.214 178.730 176.600 -0.140 0.000 0.990 1493 E CA 1.610 57.951 56.400 -0.098 0.000 0.821 1493 E CB -0.238 29.305 29.700 -0.262 0.000 0.750 1493 E HN 0.767 nan 8.360 nan 0.000 0.477 1494 C N 0.109 119.295 119.300 -0.191 0.000 2.446 1494 C HA -0.110 4.350 4.460 0.000 0.000 0.277 1494 C C 2.350 177.136 174.990 -0.340 0.000 1.275 1494 C CA 0.378 59.240 59.018 -0.260 0.000 1.727 1494 C CB -0.992 26.538 27.740 -0.350 0.000 2.010 1494 C HN 0.453 nan 8.230 nan 0.000 0.486 1495 Y N 0.628 120.666 120.300 -0.436 0.000 2.293 1495 Y HA -0.146 4.404 4.550 0.000 0.000 0.291 1495 Y C 2.451 177.853 175.900 -0.831 0.000 1.137 1495 Y CA 1.725 59.377 58.100 -0.747 0.000 1.202 1495 Y CB -0.427 37.291 38.460 -1.237 0.000 0.990 1495 Y HN 0.385 nan 8.280 nan 0.000 0.537 1496 D N -0.019 120.143 120.400 -0.397 0.000 2.097 1496 D HA -0.160 4.480 4.640 0.000 0.000 0.197 1496 D C 2.236 178.527 176.300 -0.014 0.000 0.984 1496 D CA 1.247 55.256 54.000 0.016 0.000 0.826 1496 D CB 0.069 41.077 40.800 0.347 0.000 0.973 1496 D HN 0.328 nan 8.370 nan 0.000 0.460 1497 A N 0.630 123.442 122.820 -0.014 0.000 1.898 1497 A HA -0.014 4.306 4.320 0.000 0.000 0.216 1497 A C 2.396 179.966 177.584 -0.024 0.000 1.181 1497 A CA 2.027 54.099 52.037 0.059 0.000 0.620 1497 A CB -1.107 17.950 19.000 0.096 0.000 0.819 1497 A HN 0.356 nan 8.150 nan 0.000 0.442 1498 G N -1.216 107.574 108.800 -0.017 0.000 2.422 1498 G HA2 -0.244 3.717 3.960 0.000 0.000 0.218 1498 G HA3 -0.244 3.717 3.960 0.000 0.000 0.218 1498 G C 1.518 176.360 174.900 -0.098 0.000 1.146 1498 G CA 1.369 46.479 45.100 0.017 0.000 0.769 1498 G HN 0.519 nan 8.290 nan 0.000 0.547 1499 C N 0.137 119.289 119.300 -0.246 0.000 2.492 1499 C HA 0.450 4.910 4.460 0.000 0.000 0.279 1499 C C 3.353 178.159 174.990 -0.306 0.000 1.335 1499 C CA 0.681 59.455 59.018 -0.407 0.000 1.734 1499 C CB -0.373 26.794 27.740 -0.954 0.000 2.027 1499 C HN 0.535 nan 8.230 nan 0.000 0.496 1500 A N -1.928 120.762 122.820 -0.218 0.000 2.081 1500 A HA 0.084 4.404 4.320 0.000 0.000 0.214 1500 A C 1.531 178.810 177.584 -0.508 0.000 1.158 1500 A CA 0.642 52.528 52.037 -0.252 0.000 0.724 1500 A CB -0.330 18.525 19.000 -0.242 0.000 0.826 1500 A HN 0.768 nan 8.150 nan 0.000 0.463 1501 W N -3.481 117.602 121.300 -0.362 0.000 3.231 1501 W HA 0.266 4.926 4.660 0.000 0.000 0.234 1501 W C 0.934 177.178 176.519 -0.459 0.000 1.099 1501 W CA -0.017 57.011 57.345 -0.529 0.000 1.467 1501 W CB 0.404 29.273 29.460 -0.985 0.000 0.800 1501 W HN 0.260 nan 8.180 nan 0.000 0.739 1502 Y N 0.685 121.095 120.300 0.183 0.000 2.467 1502 Y HA 0.248 4.798 4.550 0.000 0.000 0.250 1502 Y C 0.441 176.352 175.900 0.018 0.000 1.155 1502 Y CA -0.841 57.303 58.100 0.073 0.000 1.249 1502 Y CB -0.710 37.761 38.460 0.020 0.000 1.146 1502 Y HN -0.075 nan 8.280 nan 0.000 0.524 1503 E N 0.280 120.533 120.200 0.088 0.000 2.328 1503 E HA -0.216 4.134 4.350 0.000 0.000 0.233 1503 E C -1.117 175.507 176.600 0.039 0.000 1.219 1503 E CA 0.103 56.530 56.400 0.044 0.000 0.717 1503 E CB -1.163 28.567 29.700 0.052 0.000 1.210 1503 E HN 0.127 nan 8.360 nan 0.000 0.381 1504 L N 0.794 122.038 121.223 0.034 0.000 2.295 1504 L HA 0.312 4.652 4.340 0.000 0.000 0.285 1504 L C 0.919 177.777 176.870 -0.019 0.000 1.035 1504 L CA 0.077 54.922 54.840 0.009 0.000 0.806 1504 L CB 1.342 43.408 42.059 0.011 0.000 1.214 1504 L HN 0.169 nan 8.230 nan 0.000 0.426 1505 T N 1.312 115.863 114.554 -0.005 0.000 2.868 1505 T HA 0.295 4.645 4.350 0.000 0.000 0.292 1505 T C -1.907 172.814 174.700 0.035 0.000 1.028 1505 T CA -1.463 60.642 62.100 0.009 0.000 1.059 1505 T CB 0.736 69.617 68.868 0.022 0.000 0.991 1505 T HN 0.434 nan 8.240 nan 0.000 0.531 1506 P HA -0.041 nan 4.420 nan 0.000 0.218 1506 P C 1.538 178.967 177.300 0.216 0.000 1.148 1506 P CA 1.342 64.572 63.100 0.217 0.000 0.822 1506 P CB -0.274 31.541 31.700 0.191 0.000 0.784 1507 A N 0.247 123.139 122.820 0.120 0.000 1.929 1507 A HA -0.199 4.121 4.320 0.000 0.000 0.216 1507 A C 2.056 179.678 177.584 0.065 0.000 1.176 1507 A CA 1.512 53.608 52.037 0.098 0.000 0.628 1507 A CB -0.967 18.073 19.000 0.066 0.000 0.816 1507 A HN 0.296 nan 8.150 nan 0.000 0.444 1508 E N -0.840 119.379 120.200 0.032 0.000 2.112 1508 E HA -0.080 4.270 4.350 0.000 0.000 0.190 1508 E C 1.785 178.366 176.600 -0.032 0.000 0.979 1508 E CA 1.265 57.665 56.400 0.000 0.000 0.814 1508 E CB -0.692 29.000 29.700 -0.013 0.000 0.762 1508 E HN 0.396 nan 8.360 nan 0.000 0.460 1509 T N 1.111 115.624 114.554 -0.070 0.000 2.720 1509 T HA -0.164 4.186 4.350 0.000 0.000 0.268 1509 T C 2.111 176.693 174.700 -0.196 0.000 1.037 1509 T CA 1.606 63.573 62.100 -0.222 0.000 1.144 1509 T CB -0.275 68.300 68.868 -0.488 0.000 0.864 1509 T HN 0.131 nan 8.240 nan 0.000 0.444 1510 S N 0.805 116.500 115.700 -0.009 0.000 2.368 1510 S HA -0.083 4.387 4.470 0.000 0.000 0.225 1510 S C 2.321 176.953 174.600 0.052 0.000 1.030 1510 S CA 0.788 59.045 58.200 0.096 0.000 0.999 1510 S CB -0.552 62.771 63.200 0.205 0.000 0.844 1510 S HN 0.289 nan 8.310 nan 0.000 0.459 1511 V N 2.661 122.596 119.914 0.034 0.000 2.282 1511 V HA -0.262 3.858 4.120 0.000 0.000 0.249 1511 V C 2.500 178.606 176.094 0.021 0.000 1.057 1511 V CA 1.866 64.182 62.300 0.027 0.000 1.032 1511 V CB -0.691 31.140 31.823 0.013 0.000 0.645 1511 V HN 0.449 nan 8.190 nan 0.000 0.447 1512 R N -0.269 120.227 120.500 -0.005 0.000 2.066 1512 R HA -0.059 4.281 4.340 0.000 0.000 0.232 1512 R C 2.315 178.634 176.300 0.031 0.000 1.131 1512 R CA 1.346 57.446 56.100 0.001 0.000 0.955 1512 R CB -0.564 29.712 30.300 -0.041 0.000 0.851 1512 R HN 0.386 nan 8.270 nan 0.000 0.432 1513 L N 0.594 121.809 121.223 -0.014 0.000 2.131 1513 L HA -0.152 4.188 4.340 0.000 0.000 0.210 1513 L C 2.794 179.742 176.870 0.129 0.000 1.092 1513 L CA 1.211 56.063 54.840 0.020 0.000 0.759 1513 L CB -0.328 41.705 42.059 -0.043 0.000 0.903 1513 L HN 0.147 nan 8.230 nan 0.000 0.435 1514 R N 0.500 121.061 120.500 0.103 0.000 2.075 1514 R HA -0.124 4.216 4.340 0.000 0.000 0.232 1514 R C 2.293 178.658 176.300 0.107 0.000 1.126 1514 R CA 1.453 57.618 56.100 0.108 0.000 0.963 1514 R CB -0.331 30.018 30.300 0.082 0.000 0.858 1514 R HN 0.280 nan 8.270 nan 0.000 0.435 1515 A N -0.339 122.538 122.820 0.096 0.000 1.933 1515 A HA -0.199 4.121 4.320 0.000 0.000 0.218 1515 A C 2.076 179.725 177.584 0.108 0.000 1.175 1515 A CA 1.428 53.513 52.037 0.080 0.000 0.628 1515 A CB -0.933 18.105 19.000 0.064 0.000 0.814 1515 A HN 0.610 nan 8.150 nan 0.000 0.444 1516 Y N 0.631 120.945 120.300 0.025 0.000 2.145 1516 Y HA -0.149 4.401 4.550 0.000 0.000 0.286 1516 Y C 1.991 177.922 175.900 0.052 0.000 1.145 1516 Y CA 1.793 59.913 58.100 0.034 0.000 1.148 1516 Y CB -0.225 38.252 38.460 0.029 0.000 0.981 1516 Y HN 0.198 nan 8.280 nan 0.000 0.507 1517 L N 0.084 121.500 121.223 0.321 0.000 2.141 1517 L HA -0.222 4.118 4.340 0.000 0.000 0.209 1517 L C 1.598 178.510 176.870 0.070 0.000 1.094 1517 L CA 1.334 56.299 54.840 0.208 0.000 0.763 1517 L CB -0.711 41.451 42.059 0.172 0.000 0.908 1517 L HN 0.275 nan 8.230 nan 0.000 0.437 1518 N N -0.618 118.114 118.700 0.053 0.000 2.494 1518 N HA -0.043 4.697 4.740 0.000 0.000 0.182 1518 N C 0.358 175.866 175.510 -0.004 0.000 1.076 1518 N CA 0.455 53.518 53.050 0.021 0.000 0.908 1518 N CB -0.004 38.499 38.487 0.028 0.000 0.967 1518 N HN 0.175 nan 8.380 nan 0.000 0.449 1519 T N 2.833 117.366 114.554 -0.035 0.000 2.771 1519 T HA 0.355 4.705 4.350 0.000 0.000 0.291 1519 T C -2.439 172.229 174.700 -0.053 0.000 0.954 1519 T CA -1.220 60.849 62.100 -0.051 0.000 1.045 1519 T CB 1.919 70.725 68.868 -0.104 0.000 0.917 1519 T HN -0.006 nan 8.240 nan 0.000 0.484 1520 P HA 0.448 nan 4.420 nan 0.000 0.277 1520 P C 0.971 178.307 177.300 0.062 0.000 1.240 1520 P CA 0.046 63.149 63.100 0.005 0.000 0.798 1520 P CB 0.654 32.357 31.700 0.005 0.000 0.979 1521 G N 0.017 108.798 108.800 -0.031 0.000 2.195 1521 G HA2 -0.201 3.759 3.960 0.000 0.000 0.246 1521 G HA3 -0.201 3.759 3.960 0.000 0.000 0.246 1521 G C -0.204 174.728 174.900 0.053 0.000 0.984 1521 G CA -0.246 44.812 45.100 -0.070 0.000 0.633 1521 G HN 0.449 nan 8.290 nan 0.000 0.525 1522 L N 0.930 122.151 121.223 -0.003 0.000 2.332 1522 L HA 0.589 4.929 4.340 0.000 0.000 0.269 1522 L C -1.806 175.096 176.870 0.053 0.000 1.016 1522 L CA -2.585 52.232 54.840 -0.038 0.000 0.809 1522 L CB 1.415 43.270 42.059 -0.339 0.000 1.280 1522 L HN -0.161 nan 8.230 nan 0.000 0.447 1523 P HA -0.009 nan 4.420 nan 0.000 0.267 1523 P C -1.152 176.347 177.300 0.333 0.000 1.201 1523 P CA -0.063 63.219 63.100 0.305 0.000 0.775 1523 P CB 0.415 32.392 31.700 0.461 0.000 0.854 1524 V N -0.328 119.672 119.914 0.143 0.000 2.919 1524 V HA 0.892 5.012 4.120 0.000 0.000 0.316 1524 V C -0.276 175.561 176.094 -0.429 0.000 1.077 1524 V CA -0.898 61.367 62.300 -0.059 0.000 0.977 1524 V CB 1.444 33.232 31.823 -0.058 0.000 1.039 1524 V HN 0.966 nan 8.190 nan 0.000 0.441 1525 C N 1.506 120.484 119.300 -0.536 0.000 3.311 1525 C HA 0.607 5.067 4.460 0.000 0.000 0.325 1525 C C -0.636 174.124 174.990 -0.384 0.000 1.352 1525 C CA -0.588 58.023 59.018 -0.677 0.000 1.308 1525 C CB 1.452 28.355 27.740 -1.396 0.000 1.619 1525 C HN 1.029 nan 8.230 nan 0.000 0.469 1526 Q N 1.648 121.230 119.800 -0.364 0.000 2.395 1526 Q HA 0.174 4.514 4.340 0.000 0.000 0.271 1526 Q C -0.327 175.450 176.000 -0.372 0.000 1.026 1526 Q CA 0.767 56.339 55.803 -0.385 0.000 0.900 1526 Q CB 0.611 29.001 28.738 -0.579 0.000 1.266 1526 Q HN 0.864 nan 8.270 nan 0.000 0.430 1527 D N 1.584 121.858 120.400 -0.209 0.000 2.422 1527 D HA 0.029 4.669 4.640 0.000 0.000 0.227 1527 D C -0.384 175.983 176.300 0.112 0.000 1.190 1527 D CA 0.107 54.089 54.000 -0.030 0.000 0.905 1527 D CB -0.191 40.623 40.800 0.022 0.000 1.034 1527 D HN 0.440 nan 8.370 nan 0.000 0.507 1528 H N 3.402 122.589 119.070 0.194 0.000 2.467 1528 H HA 0.116 4.673 4.556 0.000 0.000 0.275 1528 H C 1.009 176.524 175.328 0.313 0.000 1.131 1528 H CA -0.627 55.538 56.048 0.197 0.000 0.989 1528 H CB 0.837 30.742 29.762 0.239 0.000 1.696 1528 H HN 0.246 nan 8.280 nan 0.000 0.574 1529 L N 0.783 122.238 121.223 0.387 0.000 1.994 1529 L HA -0.175 4.165 4.340 0.000 0.000 0.208 1529 L C 2.301 179.319 176.870 0.247 0.000 1.071 1529 L CA 1.651 56.726 54.840 0.391 0.000 0.745 1529 L CB -0.493 41.750 42.059 0.307 0.000 0.892 1529 L HN 0.390 nan 8.230 nan 0.000 0.431 1530 E N -0.955 119.343 120.200 0.163 0.000 2.070 1530 E HA -0.282 4.068 4.350 0.000 0.000 0.197 1530 E C 2.181 178.782 176.600 0.002 0.000 1.004 1530 E CA 1.398 57.845 56.400 0.078 0.000 0.805 1530 E CB -0.631 29.105 29.700 0.060 0.000 0.744 1530 E HN 0.404 nan 8.360 nan 0.000 0.451 1531 F N 0.161 120.017 119.950 -0.157 0.000 2.046 1531 F HA -0.226 4.301 4.527 0.000 0.000 0.297 1531 F C 2.200 177.817 175.800 -0.306 0.000 1.123 1531 F CA 1.770 59.566 58.000 -0.340 0.000 1.199 1531 F CB -0.830 37.790 39.000 -0.632 0.000 0.972 1531 F HN 0.032 nan 8.300 nan 0.000 0.474 1532 W N 0.844 121.994 121.300 -0.250 0.000 2.338 1532 W HA -0.195 4.466 4.660 0.000 0.000 0.304 1532 W C 2.685 178.799 176.519 -0.676 0.000 1.212 1532 W CA 1.374 58.431 57.345 -0.480 0.000 1.264 1532 W CB -0.587 28.678 29.460 -0.324 0.000 1.142 1532 W HN 0.174 nan 8.180 nan 0.000 0.512 1533 E N 0.659 120.608 120.200 -0.419 0.000 2.077 1533 E HA -0.253 4.097 4.350 0.000 0.000 0.193 1533 E C 2.332 178.886 176.600 -0.076 0.000 0.989 1533 E CA 1.984 58.227 56.400 -0.263 0.000 0.800 1533 E CB -0.283 29.415 29.700 -0.003 0.000 0.746 1533 E HN 0.203 nan 8.360 nan 0.000 0.452 1534 S N -0.142 115.485 115.700 -0.122 0.000 2.370 1534 S HA -0.153 4.317 4.470 0.000 0.000 0.226 1534 S C 2.102 176.682 174.600 -0.032 0.000 1.033 1534 S CA 1.425 59.581 58.200 -0.074 0.000 1.011 1534 S CB -0.644 62.453 63.200 -0.172 0.000 0.852 1534 S HN 0.169 nan 8.310 nan 0.000 0.457 1535 V N 0.798 120.580 119.914 -0.221 0.000 2.237 1535 V HA -0.073 4.047 4.120 0.000 0.000 0.245 1535 V C 2.315 178.457 176.094 0.080 0.000 1.046 1535 V CA 2.028 64.258 62.300 -0.116 0.000 1.007 1535 V CB -1.007 30.626 31.823 -0.317 0.000 0.638 1535 V HN 0.493 nan 8.190 nan 0.000 0.445 1536 F N 0.553 120.500 119.950 -0.005 0.000 2.293 1536 F HA -0.134 4.393 4.527 0.000 0.000 0.300 1536 F C 2.531 178.342 175.800 0.017 0.000 1.086 1536 F CA 1.617 59.638 58.000 0.035 0.000 1.375 1536 F CB -1.022 37.981 39.000 0.006 0.000 1.045 1536 F HN 0.094 nan 8.300 nan 0.000 0.516 1537 T N -0.911 113.762 114.554 0.199 0.000 2.803 1537 T HA -0.161 4.189 4.350 0.000 0.000 0.269 1537 T C 2.247 176.950 174.700 0.005 0.000 1.052 1537 T CA 1.431 63.596 62.100 0.109 0.000 1.136 1537 T CB -0.761 68.176 68.868 0.115 0.000 0.864 1537 T HN 0.446 nan 8.240 nan 0.000 0.467 1538 G N 0.461 109.250 108.800 -0.018 0.000 2.813 1538 G HA2 0.140 4.100 3.960 0.000 0.000 0.209 1538 G HA3 0.140 4.100 3.960 0.000 0.000 0.209 1538 G C 0.325 175.084 174.900 -0.235 0.000 1.150 1538 G CA -0.136 44.747 45.100 -0.361 0.000 0.785 1538 G HN 0.322 nan 8.290 nan 0.000 0.535 1539 L N 3.119 124.210 121.223 -0.221 0.000 2.399 1539 L HA 0.280 4.621 4.340 0.000 0.000 0.257 1539 L C 1.041 177.712 176.870 -0.332 0.000 1.236 1539 L CA -0.555 53.894 54.840 -0.652 0.000 1.144 1539 L CB -0.601 41.003 42.059 -0.758 0.000 1.379 1539 L HN 0.114 nan 8.230 nan 0.000 0.414 1540 T N -2.017 112.488 114.554 -0.082 0.000 2.907 1540 T HA 0.450 4.800 4.350 0.000 0.000 0.284 1540 T C 0.276 175.105 174.700 0.214 0.000 1.004 1540 T CA -0.422 61.660 62.100 -0.030 0.000 1.063 1540 T CB 0.394 69.151 68.868 -0.186 0.000 0.992 1540 T HN 0.669 nan 8.240 nan 0.000 0.483 1541 H N -0.469 118.752 119.070 0.250 0.000 2.750 1541 H HA -0.125 4.431 4.556 0.000 0.000 0.327 1541 H C 0.322 175.808 175.328 0.263 0.000 1.199 1541 H CA 0.437 56.614 56.048 0.214 0.000 1.149 1541 H CB -1.747 28.101 29.762 0.142 0.000 1.543 1541 H HN 0.764 nan 8.280 nan 0.000 0.427 1542 I N 0.249 121.057 120.570 0.396 0.000 3.327 1542 I HA 0.007 4.177 4.170 0.000 0.000 0.280 1542 I C 0.874 177.097 176.117 0.178 0.000 1.207 1542 I CA 0.185 61.672 61.300 0.313 0.000 1.280 1542 I CB 0.672 38.824 38.000 0.254 0.000 1.417 1542 I HN 0.465 nan 8.210 nan 0.000 0.639 1543 D N 2.735 123.209 120.400 0.123 0.000 2.329 1543 D HA 0.403 5.043 4.640 0.000 0.000 0.232 1543 D C 0.714 177.030 176.300 0.027 0.000 1.088 1543 D CA -0.013 54.009 54.000 0.037 0.000 0.835 1543 D CB 1.720 42.491 40.800 -0.049 0.000 1.078 1543 D HN 0.577 nan 8.370 nan 0.000 0.495 1544 A N 3.799 126.629 122.820 0.017 0.000 1.917 1544 A HA -0.283 4.037 4.320 0.000 0.000 0.219 1544 A C 1.942 179.554 177.584 0.045 0.000 1.182 1544 A CA 1.613 53.668 52.037 0.030 0.000 0.633 1544 A CB -0.831 18.177 19.000 0.013 0.000 0.819 1544 A HN 0.834 nan 8.150 nan 0.000 0.448 1545 H N -1.117 117.845 119.070 -0.180 0.000 2.353 1545 H HA -0.105 4.451 4.556 0.000 0.000 0.300 1545 H C 1.643 176.916 175.328 -0.093 0.000 1.090 1545 H CA 1.648 57.579 56.048 -0.196 0.000 1.327 1545 H CB -0.416 29.144 29.762 -0.337 0.000 1.383 1545 H HN 0.444 nan 8.280 nan 0.000 0.508 1546 F N -0.300 119.664 119.950 0.024 0.000 2.113 1546 F HA -0.101 4.427 4.527 0.000 0.000 0.297 1546 F C 2.506 178.281 175.800 -0.041 0.000 1.103 1546 F CA 0.594 58.556 58.000 -0.064 0.000 1.248 1546 F CB -1.253 37.723 39.000 -0.040 0.000 0.999 1546 F HN 0.168 nan 8.300 nan 0.000 0.475 1547 L N -0.034 121.288 121.223 0.164 0.000 1.990 1547 L HA -0.269 4.072 4.340 0.000 0.000 0.213 1547 L C 2.737 179.606 176.870 -0.002 0.000 1.072 1547 L CA 2.145 57.022 54.840 0.062 0.000 0.755 1547 L CB -1.480 40.610 42.059 0.051 0.000 0.889 1547 L HN 0.235 nan 8.230 nan 0.000 0.432 1548 S N -1.133 114.581 115.700 0.023 0.000 2.368 1548 S HA -0.328 4.142 4.470 0.000 0.000 0.226 1548 S C 1.913 176.527 174.600 0.023 0.000 1.044 1548 S CA 2.051 60.260 58.200 0.014 0.000 1.062 1548 S CB -0.303 62.960 63.200 0.104 0.000 0.931 1548 S HN 0.711 nan 8.310 nan 0.000 0.440 1549 Q N -0.130 119.700 119.800 0.050 0.000 2.119 1549 Q HA -0.080 4.260 4.340 0.000 0.000 0.201 1549 Q C 2.493 178.510 176.000 0.027 0.000 0.972 1549 Q CA 1.793 57.618 55.803 0.037 0.000 0.847 1549 Q CB -0.608 28.137 28.738 0.012 0.000 0.903 1549 Q HN 0.896 nan 8.270 nan 0.000 0.433 1550 T N -1.222 113.343 114.554 0.018 0.000 2.951 1550 T HA -0.028 4.322 4.350 0.000 0.000 0.268 1550 T C 1.623 176.331 174.700 0.013 0.000 1.073 1550 T CA 0.748 62.851 62.100 0.004 0.000 1.134 1550 T CB 0.046 68.914 68.868 -0.000 0.000 0.884 1550 T HN 0.130 nan 8.240 nan 0.000 0.479 1551 K N 0.517 120.891 120.400 -0.045 0.000 2.044 1551 K HA 0.048 4.368 4.320 0.000 0.000 0.204 1551 K C 2.885 179.569 176.600 0.140 0.000 1.049 1551 K CA 0.898 57.145 56.287 -0.067 0.000 0.945 1551 K CB -0.083 32.115 32.500 -0.504 0.000 0.724 1551 K HN 0.238 nan 8.250 nan 0.000 0.440 1552 Q N 0.359 120.212 119.800 0.088 0.000 2.096 1552 Q HA -0.145 4.195 4.340 0.000 0.000 0.204 1552 Q C 2.184 178.252 176.000 0.114 0.000 0.982 1552 Q CA 1.644 57.520 55.803 0.121 0.000 0.850 1552 Q CB -0.282 28.508 28.738 0.088 0.000 0.901 1552 Q HN 0.325 nan 8.270 nan 0.000 0.422 1553 A N 0.085 122.956 122.820 0.084 0.000 2.019 1553 A HA 0.065 4.385 4.320 0.000 0.000 0.219 1553 A C 1.561 179.191 177.584 0.077 0.000 1.164 1553 A CA 1.460 53.535 52.037 0.065 0.000 0.644 1553 A CB -0.600 18.420 19.000 0.032 0.000 0.805 1553 A HN 0.505 nan 8.150 nan 0.000 0.449 1554 G N 0.383 109.254 108.800 0.118 0.000 2.212 1554 G HA2 -0.221 3.739 3.960 0.000 0.000 0.255 1554 G HA3 -0.221 3.739 3.960 0.000 0.000 0.255 1554 G C -0.240 174.702 174.900 0.070 0.000 1.062 1554 G CA 0.627 45.799 45.100 0.120 0.000 0.815 1554 G HN 1.087 nan 8.290 nan 0.000 0.497 1555 D N -1.205 119.232 120.400 0.061 0.000 2.348 1555 D HA 0.438 5.078 4.640 0.000 0.000 0.249 1555 D C 1.298 177.606 176.300 0.014 0.000 1.110 1555 D CA -0.516 53.496 54.000 0.021 0.000 0.967 1555 D CB 0.497 41.292 40.800 -0.008 0.000 1.139 1555 D HN -0.108 nan 8.370 nan 0.000 0.466 1556 N N -0.194 118.493 118.700 -0.022 0.000 2.166 1556 N HA -0.047 4.693 4.740 0.000 0.000 0.186 1556 N C -0.435 174.836 175.510 -0.398 0.000 1.019 1556 N CA 0.887 53.822 53.050 -0.192 0.000 0.856 1556 N CB -0.165 38.215 38.487 -0.178 0.000 0.993 1556 N HN 0.453 nan 8.380 nan 0.000 0.426 1557 F N -0.273 119.700 119.950 0.037 0.000 2.584 1557 F HA 0.337 4.864 4.527 0.000 0.000 0.328 1557 F C -1.628 174.223 175.800 0.085 0.000 1.407 1557 F CA -1.709 56.338 58.000 0.079 0.000 1.145 1557 F CB 1.780 40.817 39.000 0.061 0.000 1.440 1557 F HN -0.093 nan 8.300 nan 0.000 0.580 1558 P HA -0.289 nan 4.420 nan 0.000 0.217 1558 P C 1.537 178.950 177.300 0.188 0.000 1.151 1558 P CA 1.755 64.937 63.100 0.137 0.000 0.849 1558 P CB 0.234 31.982 31.700 0.079 0.000 0.787 1559 Y N 0.673 121.069 120.300 0.159 0.000 2.109 1559 Y HA -0.112 4.438 4.550 0.000 0.000 0.285 1559 Y C 2.633 178.695 175.900 0.270 0.000 1.131 1559 Y CA 1.440 59.667 58.100 0.213 0.000 1.121 1559 Y CB -1.124 37.505 38.460 0.282 0.000 0.987 1559 Y HN -0.280 nan 8.280 nan 0.000 0.495 1560 L N -1.203 120.232 121.223 0.353 0.000 2.079 1560 L HA -0.254 4.086 4.340 0.000 0.000 0.210 1560 L C 2.269 179.313 176.870 0.290 0.000 1.081 1560 L CA 1.151 56.107 54.840 0.193 0.000 0.752 1560 L CB -0.797 41.169 42.059 -0.155 0.000 0.896 1560 L HN 0.155 nan 8.230 nan 0.000 0.433 1561 V N -0.013 120.007 119.914 0.176 0.000 2.244 1561 V HA -0.262 3.858 4.120 0.000 0.000 0.244 1561 V C 2.754 178.930 176.094 0.137 0.000 1.042 1561 V CA 1.820 64.159 62.300 0.066 0.000 1.006 1561 V CB -0.820 30.869 31.823 -0.224 0.000 0.641 1561 V HN 0.474 nan 8.190 nan 0.000 0.446 1562 A N -1.279 121.579 122.820 0.063 0.000 1.940 1562 A HA -0.300 4.020 4.320 0.000 0.000 0.219 1562 A C 2.151 179.764 177.584 0.049 0.000 1.176 1562 A CA 2.253 54.321 52.037 0.052 0.000 0.631 1562 A CB -0.799 18.236 19.000 0.059 0.000 0.814 1562 A HN 0.645 nan 8.150 nan 0.000 0.446 1563 Y N -0.075 120.172 120.300 -0.088 0.000 2.263 1563 Y HA -0.151 4.399 4.550 0.000 0.000 0.292 1563 Y C 2.606 178.492 175.900 -0.023 0.000 1.130 1563 Y CA 2.032 60.073 58.100 -0.098 0.000 1.179 1563 Y CB -0.234 38.114 38.460 -0.187 0.000 0.998 1563 Y HN 0.473 nan 8.280 nan 0.000 0.532 1564 Q N 0.383 120.267 119.800 0.141 0.000 2.046 1564 Q HA -0.127 4.213 4.340 0.000 0.000 0.200 1564 Q C 2.297 178.178 176.000 -0.197 0.000 0.975 1564 Q CA 2.011 57.783 55.803 -0.051 0.000 0.836 1564 Q CB -0.646 28.170 28.738 0.131 0.000 0.896 1564 Q HN 0.428 nan 8.270 nan 0.000 0.428 1565 A N -0.080 122.698 122.820 -0.070 0.000 1.892 1565 A HA -0.249 4.071 4.320 0.000 0.000 0.218 1565 A C 2.403 179.738 177.584 -0.414 0.000 1.188 1565 A CA 2.583 54.433 52.037 -0.312 0.000 0.631 1565 A CB -1.694 17.046 19.000 -0.433 0.000 0.822 1565 A HN 0.659 nan 8.150 nan 0.000 0.447 1566 T N -1.863 112.534 114.554 -0.260 0.000 2.746 1566 T HA -0.123 4.227 4.350 0.000 0.000 0.267 1566 T C 1.730 176.328 174.700 -0.169 0.000 1.039 1566 T CA 1.897 63.971 62.100 -0.044 0.000 1.142 1566 T CB -0.647 68.211 68.868 -0.017 0.000 0.866 1566 T HN 0.085 nan 8.240 nan 0.000 0.444 1567 V N 0.904 120.610 119.914 -0.348 0.000 2.287 1567 V HA -0.193 3.927 4.120 0.000 0.000 0.248 1567 V C 3.156 179.145 176.094 -0.176 0.000 1.053 1567 V CA 2.004 64.129 62.300 -0.292 0.000 1.027 1567 V CB -0.939 30.598 31.823 -0.477 0.000 0.646 1567 V HN 0.726 nan 8.190 nan 0.000 0.447 1568 C N -0.155 119.002 119.300 -0.239 0.000 2.413 1568 C HA -0.168 4.292 4.460 0.000 0.000 0.276 1568 C C 3.030 177.951 174.990 -0.115 0.000 1.248 1568 C CA 0.979 59.869 59.018 -0.214 0.000 1.742 1568 C CB -1.369 26.176 27.740 -0.325 0.000 2.017 1568 C HN 0.661 nan 8.230 nan 0.000 0.481 1569 A N 0.427 123.201 122.820 -0.077 0.000 1.898 1569 A HA -0.100 4.220 4.320 0.000 0.000 0.216 1569 A C 1.797 179.408 177.584 0.043 0.000 1.181 1569 A CA 0.898 52.956 52.037 0.037 0.000 0.620 1569 A CB -0.398 18.730 19.000 0.212 0.000 0.819 1569 A HN 0.679 nan 8.150 nan 0.000 0.442 1570 R N -0.257 120.262 120.500 0.032 0.000 4.624 1570 R HA 0.343 4.683 4.340 0.000 0.000 0.214 1570 R C 0.200 176.517 176.300 0.028 0.000 2.026 1570 R CA 0.644 56.763 56.100 0.032 0.000 1.676 1570 R CB -0.628 29.692 30.300 0.034 0.000 1.291 1570 R HN 0.505 nan 8.270 nan 0.000 0.739 1571 A N 0.104 122.935 122.820 0.018 0.000 2.378 1571 A HA -0.049 4.272 4.320 0.000 0.000 0.220 1571 A C 0.711 178.301 177.584 0.010 0.000 2.858 1571 A CA -0.285 51.760 52.037 0.013 0.000 1.613 1571 A CB -0.208 18.807 19.000 0.024 0.000 0.255 1571 A HN 0.419 nan 8.150 nan 0.000 0.587 1572 Q N -1.165 118.643 119.800 0.013 0.000 2.357 1572 Q HA -0.290 4.050 4.340 0.000 0.000 0.233 1572 Q C 0.500 176.498 176.000 -0.002 0.000 0.868 1572 Q CA 0.930 56.742 55.803 0.015 0.000 1.272 1572 Q CB -1.285 27.479 28.738 0.043 0.000 1.757 1572 Q HN 1.911 nan 8.270 nan 0.000 0.567 1573 A N 1.621 124.424 122.820 -0.028 0.000 2.401 1573 A HA 0.512 4.832 4.320 0.000 0.000 0.259 1573 A C -2.061 175.454 177.584 -0.115 0.000 1.103 1573 A CA -0.894 51.108 52.037 -0.058 0.000 0.789 1573 A CB 0.447 19.399 19.000 -0.080 0.000 1.035 1573 A HN 0.249 nan 8.150 nan 0.000 0.491 1574 P HA 0.271 nan 4.420 nan 0.000 0.274 1574 P C -2.697 174.343 177.300 -0.433 0.000 1.246 1574 P CA -1.447 61.548 63.100 -0.176 0.000 0.795 1574 P CB -0.068 31.618 31.700 -0.024 0.000 1.006 1575 P HA 0.146 nan 4.420 nan 0.000 0.273 1575 P C -1.942 174.759 177.300 -0.998 0.000 1.250 1575 P CA -1.489 60.986 63.100 -1.041 0.000 0.793 1575 P CB -0.897 30.013 31.700 -1.317 0.000 1.011 1576 P HA -0.168 nan 4.420 nan 0.000 0.218 1576 P C 0.747 177.722 177.300 -0.543 0.000 1.146 1576 P CA 1.889 64.553 63.100 -0.727 0.000 0.820 1576 P CB 0.027 31.319 31.700 -0.680 0.000 0.778 1577 S N -4.164 111.112 115.700 -0.707 0.000 2.714 1577 S HA 0.340 4.810 4.470 0.000 0.000 0.280 1577 S C -1.597 172.652 174.600 -0.585 0.000 1.200 1577 S CA -0.849 57.108 58.200 -0.406 0.000 0.900 1577 S CB -0.262 62.882 63.200 -0.094 0.000 1.235 1577 S HN -0.009 nan 8.310 nan 0.000 0.512 1578 W N 1.842 123.179 121.300 0.062 0.000 2.128 1578 W HA 0.384 5.044 4.660 0.000 0.000 0.356 1578 W C 0.163 176.757 176.519 0.126 0.000 0.891 1578 W CA -0.389 57.010 57.345 0.090 0.000 2.408 1578 W CB 0.601 30.080 29.460 0.032 0.000 1.234 1578 W HN 0.767 nan 8.180 nan 0.000 0.597 1579 D N 0.208 120.790 120.400 0.302 0.000 2.423 1579 D HA -0.014 4.626 4.640 0.000 0.000 0.255 1579 D C 1.428 177.829 176.300 0.168 0.000 1.174 1579 D CA 0.080 54.210 54.000 0.216 0.000 1.008 1579 D CB 1.570 42.464 40.800 0.158 0.000 1.101 1579 D HN -0.149 nan 8.370 nan 0.000 0.516 1580 Q N 0.838 120.694 119.800 0.092 0.000 2.124 1580 Q HA -0.274 4.066 4.340 0.000 0.000 0.215 1580 Q C 2.071 178.042 176.000 -0.048 0.000 1.015 1580 Q CA 2.213 58.040 55.803 0.039 0.000 0.890 1580 Q CB -0.869 27.875 28.738 0.010 0.000 0.966 1580 Q HN 0.765 nan 8.270 nan 0.000 0.412 1581 M N -1.562 117.940 119.600 -0.162 0.000 2.153 1581 M HA -0.228 4.252 4.480 0.000 0.000 0.253 1581 M C 0.487 176.380 176.300 -0.679 0.000 1.081 1581 M CA 1.924 56.944 55.300 -0.468 0.000 1.076 1581 M CB -0.227 31.968 32.600 -0.675 0.000 1.350 1581 M HN 0.259 nan 8.290 nan 0.000 0.401 1582 W N 1.059 122.323 121.300 -0.060 0.000 3.151 1582 W HA 0.251 4.911 4.660 0.000 0.000 0.424 1582 W C 1.422 177.922 176.519 -0.032 0.000 1.012 1582 W CA -0.486 56.777 57.345 -0.136 0.000 2.018 1582 W CB -0.262 28.993 29.460 -0.341 0.000 1.087 1582 W HN 0.250 nan 8.180 nan 0.000 0.740 1583 K N 0.025 120.500 120.400 0.125 0.000 2.113 1583 K HA -0.260 4.060 4.320 0.000 0.000 0.208 1583 K C 1.911 178.603 176.600 0.153 0.000 1.047 1583 K CA 1.760 58.151 56.287 0.173 0.000 0.928 1583 K CB -1.300 31.259 32.500 0.098 0.000 0.716 1583 K HN 0.317 nan 8.250 nan 0.000 0.446 1584 C N 0.501 119.846 119.300 0.074 0.000 2.409 1584 C HA 0.059 4.519 4.460 0.000 0.000 0.305 1584 C C 1.777 176.806 174.990 0.066 0.000 1.488 1584 C CA 0.182 59.236 59.018 0.059 0.000 1.765 1584 C CB -1.437 26.314 27.740 0.018 0.000 1.649 1584 C HN 0.554 nan 8.230 nan 0.000 0.581 1585 L N -1.407 119.889 121.223 0.123 0.000 2.803 1585 L HA 0.293 4.633 4.340 0.000 0.000 0.246 1585 L C 2.272 179.374 176.870 0.387 0.000 1.100 1585 L CA 0.028 54.968 54.840 0.167 0.000 0.919 1585 L CB -0.324 41.747 42.059 0.020 0.000 1.285 1585 L HN 0.223 nan 8.230 nan 0.000 0.522 1586 I N 1.129 121.979 120.570 0.467 0.000 2.130 1586 I HA -0.505 3.665 4.170 0.000 0.000 0.241 1586 I C 2.624 178.763 176.117 0.037 0.000 1.023 1586 I CA 2.180 63.631 61.300 0.252 0.000 1.293 1586 I CB -0.041 38.061 38.000 0.171 0.000 1.001 1586 I HN 0.296 nan 8.210 nan 0.000 0.407 1587 R N 0.657 121.207 120.500 0.082 0.000 2.134 1587 R HA -0.226 4.114 4.340 0.000 0.000 0.248 1587 R C 1.854 178.169 176.300 0.025 0.000 1.143 1587 R CA 2.116 58.244 56.100 0.046 0.000 0.957 1587 R CB -1.199 29.151 30.300 0.083 0.000 0.867 1587 R HN 0.438 nan 8.270 nan 0.000 0.441 1588 L N 0.968 122.239 121.223 0.079 0.000 2.645 1588 L HA 0.190 4.531 4.340 0.000 0.000 0.235 1588 L C 2.207 179.083 176.870 0.009 0.000 1.150 1588 L CA 0.118 54.993 54.840 0.059 0.000 0.911 1588 L CB -0.398 41.726 42.059 0.109 0.000 1.077 1588 L HN 0.155 nan 8.230 nan 0.000 0.438 1589 K N 1.899 122.236 120.400 -0.105 0.000 2.077 1589 K HA -0.171 4.149 4.320 0.000 0.000 0.213 1589 K C -0.369 176.096 176.600 -0.224 0.000 1.051 1589 K CA 1.853 57.947 56.287 -0.322 0.000 0.929 1589 K CB -0.689 31.315 32.500 -0.827 0.000 0.715 1589 K HN 0.298 nan 8.250 nan 0.000 0.451 1590 P HA -0.102 nan 4.420 nan 0.000 0.226 1590 P C 0.891 178.115 177.300 -0.126 0.000 1.153 1590 P CA 1.320 64.349 63.100 -0.118 0.000 0.777 1590 P CB 0.053 31.712 31.700 -0.068 0.000 0.794 1591 T N -1.920 112.549 114.554 -0.143 0.000 3.069 1591 T HA 0.216 4.566 4.350 0.000 0.000 0.252 1591 T C 0.422 174.948 174.700 -0.290 0.000 1.053 1591 T CA -0.226 61.800 62.100 -0.123 0.000 0.964 1591 T CB -0.498 68.359 68.868 -0.018 0.000 1.005 1591 T HN -0.097 nan 8.240 nan 0.000 0.532 1592 L N 3.114 124.086 121.223 -0.418 0.000 2.287 1592 L HA 0.640 4.980 4.340 0.000 0.000 0.287 1592 L C -0.611 175.939 176.870 -0.532 0.000 1.022 1592 L CA -1.008 53.638 54.840 -0.323 0.000 0.814 1592 L CB 1.037 43.088 42.059 -0.013 0.000 1.217 1592 L HN 0.395 nan 8.230 nan 0.000 0.420 1593 H N 0.924 120.023 119.070 0.049 0.000 2.932 1593 H HA 0.865 5.421 4.556 0.000 0.000 0.307 1593 H C -0.063 175.267 175.328 0.004 0.000 1.391 1593 H CA -0.784 55.284 56.048 0.033 0.000 1.130 1593 H CB 1.195 30.974 29.762 0.028 0.000 1.836 1593 H HN 0.774 nan 8.280 nan 0.000 0.522 1594 G N -0.170 108.716 108.800 0.144 0.000 2.498 1594 G HA2 0.049 4.009 3.960 0.000 0.000 0.651 1594 G HA3 0.049 4.009 3.960 0.000 0.000 0.651 1594 G C -3.021 171.884 174.900 0.008 0.000 1.284 1594 G CA -0.794 44.339 45.100 0.054 0.000 0.950 1594 G HN 0.727 nan 8.290 nan 0.000 0.511 1595 P HA 0.364 nan 4.420 nan 0.000 0.286 1595 P C 0.531 177.783 177.300 -0.080 0.000 1.321 1595 P CA 0.398 63.471 63.100 -0.046 0.000 0.790 1595 P CB 0.767 32.444 31.700 -0.039 0.000 0.897 1596 T N 4.634 119.111 114.554 -0.129 0.000 2.849 1596 T HA 0.042 4.392 4.350 0.000 0.000 0.289 1596 T C -1.981 172.609 174.700 -0.184 0.000 1.010 1596 T CA -0.953 61.028 62.100 -0.197 0.000 1.161 1596 T CB -0.636 68.047 68.868 -0.308 0.000 0.989 1596 T HN 0.271 nan 8.240 nan 0.000 0.523 1597 P HA 0.200 nan 4.420 nan 0.000 0.268 1597 P C 0.205 177.346 177.300 -0.265 0.000 1.541 1597 P CA -0.500 62.507 63.100 -0.156 0.000 1.093 1597 P CB 0.070 31.725 31.700 -0.074 0.000 1.551 1598 L N 4.626 125.700 121.223 -0.247 0.000 2.513 1598 L HA 0.024 4.365 4.340 0.000 0.000 0.272 1598 L C 1.524 178.174 176.870 -0.366 0.000 1.187 1598 L CA 0.246 54.903 54.840 -0.304 0.000 0.895 1598 L CB 0.601 42.525 42.059 -0.226 0.000 1.147 1598 L HN 0.378 nan 8.230 nan 0.000 0.483 1599 L N 5.683 126.560 121.223 -0.578 0.000 2.221 1599 L HA 0.041 4.381 4.340 0.000 0.000 0.202 1599 L C -0.384 175.993 176.870 -0.821 0.000 1.074 1599 L CA 0.466 54.802 54.840 -0.841 0.000 0.795 1599 L CB 0.013 41.221 42.059 -1.419 0.000 0.960 1599 L HN 0.596 nan 8.230 nan 0.000 0.458 1600 Y N -2.869 117.261 120.300 -0.284 0.000 2.779 1600 Y HA 0.475 5.025 4.550 0.000 0.000 0.340 1600 Y C -0.697 175.008 175.900 -0.326 0.000 1.252 1600 Y CA -2.071 55.719 58.100 -0.517 0.000 1.072 1600 Y CB 0.557 38.411 38.460 -1.010 0.000 1.343 1600 Y HN -0.243 nan 8.280 nan 0.000 0.450 1601 R N 0.901 121.346 120.500 -0.093 0.000 2.239 1601 R HA 0.504 4.844 4.340 0.000 0.000 0.332 1601 R C -0.684 175.640 176.300 0.038 0.000 0.988 1601 R CA -0.500 55.598 56.100 -0.004 0.000 0.859 1601 R CB 0.824 31.113 30.300 -0.019 0.000 1.148 1601 R HN 0.566 nan 8.270 nan 0.000 0.482 1602 L N 1.727 123.024 121.223 0.124 0.000 2.693 1602 L HA 0.423 4.763 4.340 0.000 0.000 0.235 1602 L C 0.667 177.603 176.870 0.111 0.000 1.127 1602 L CA 0.362 55.260 54.840 0.096 0.000 0.914 1602 L CB 0.789 42.939 42.059 0.152 0.000 1.193 1602 L HN 0.854 nan 8.230 nan 0.000 0.502 1603 G N -1.751 107.122 108.800 0.122 0.000 2.333 1603 G HA2 0.417 4.377 3.960 0.000 0.000 0.288 1603 G HA3 0.417 4.377 3.960 0.000 0.000 0.288 1603 G C -1.302 173.655 174.900 0.095 0.000 1.286 1603 G CA -0.334 44.831 45.100 0.110 0.000 0.865 1603 G HN 0.095 nan 8.290 nan 0.000 0.506 1604 A N -0.724 122.146 122.820 0.083 0.000 2.546 1604 A HA 0.495 4.815 4.320 0.000 0.000 0.243 1604 A C 0.301 177.909 177.584 0.040 0.000 1.063 1604 A CA 0.241 52.310 52.037 0.055 0.000 0.757 1604 A CB 0.210 19.241 19.000 0.053 0.000 0.991 1604 A HN 1.512 nan 8.150 nan 0.000 0.503 1605 V N 4.473 124.387 119.914 -0.001 0.000 2.277 1605 V HA 0.134 4.254 4.120 0.000 0.000 0.269 1605 V C 0.953 177.018 176.094 -0.050 0.000 1.036 1605 V CA 0.017 62.284 62.300 -0.055 0.000 0.821 1605 V CB 0.488 32.265 31.823 -0.076 0.000 1.052 1605 V HN 1.119 nan 8.190 nan 0.000 0.462 1606 Q N 2.526 122.296 119.800 -0.051 0.000 2.331 1606 Q HA 0.077 4.417 4.340 0.000 0.000 0.203 1606 Q C 1.211 177.186 176.000 -0.041 0.000 0.944 1606 Q CA 0.541 56.329 55.803 -0.025 0.000 0.892 1606 Q CB 0.301 29.043 28.738 0.007 0.000 0.983 1606 Q HN 0.766 nan 8.270 nan 0.000 0.482 1607 N N 0.626 119.272 118.700 -0.090 0.000 2.463 1607 N HA 0.027 4.767 4.740 0.000 0.000 0.270 1607 N C -0.612 174.849 175.510 -0.081 0.000 1.205 1607 N CA -0.153 52.846 53.050 -0.086 0.000 0.974 1607 N CB 0.861 39.261 38.487 -0.145 0.000 1.197 1607 N HN 0.057 nan 8.380 nan 0.000 0.504 1608 E N 0.264 120.428 120.200 -0.061 0.000 2.392 1608 E HA 0.198 4.548 4.350 0.000 0.000 0.256 1608 E C -0.202 176.350 176.600 -0.080 0.000 1.145 1608 E CA -0.364 56.003 56.400 -0.055 0.000 0.929 1608 E CB 1.427 31.106 29.700 -0.035 0.000 0.998 1608 E HN 0.398 nan 8.360 nan 0.000 0.442 1609 V N -1.712 118.158 119.914 -0.074 0.000 3.078 1609 V HA 0.718 4.838 4.120 0.000 0.000 0.311 1609 V C -0.638 175.416 176.094 -0.067 0.000 1.138 1609 V CA -0.620 61.626 62.300 -0.090 0.000 1.007 1609 V CB 2.137 33.894 31.823 -0.110 0.000 1.045 1609 V HN 0.681 nan 8.190 nan 0.000 0.432 1610 T N 2.445 116.957 114.554 -0.070 0.000 2.876 1610 T HA 0.619 4.969 4.350 0.000 0.000 0.289 1610 T C -0.334 174.340 174.700 -0.043 0.000 1.014 1610 T CA -0.441 61.631 62.100 -0.045 0.000 0.986 1610 T CB 1.438 70.287 68.868 -0.031 0.000 1.021 1610 T HN 0.680 nan 8.240 nan 0.000 0.458 1611 L N 4.423 125.629 121.223 -0.028 0.000 2.628 1611 L HA 0.245 4.585 4.340 0.000 0.000 0.229 1611 L C 2.463 179.337 176.870 0.008 0.000 1.137 1611 L CA 0.812 55.641 54.840 -0.019 0.000 0.909 1611 L CB -0.486 41.562 42.059 -0.018 0.000 1.137 1611 L HN 0.935 nan 8.230 nan 0.000 0.470 1612 T N -4.789 109.773 114.554 0.014 0.000 3.088 1612 T HA -0.060 4.290 4.350 0.000 0.000 0.259 1612 T C 0.952 175.684 174.700 0.052 0.000 1.122 1612 T CA 0.015 62.129 62.100 0.023 0.000 1.095 1612 T CB -0.615 68.254 68.868 0.002 0.000 0.930 1612 T HN 0.325 nan 8.240 nan 0.000 0.508 1613 H N 3.196 122.247 119.070 -0.032 0.000 2.897 1613 H HA 0.125 4.681 4.556 0.000 0.000 0.347 1613 H C -1.162 174.168 175.328 0.002 0.000 1.068 1613 H CA -1.422 54.612 56.048 -0.024 0.000 1.426 1613 H CB 1.063 30.796 29.762 -0.048 0.000 1.410 1613 H HN -0.098 nan 8.280 nan 0.000 0.597 1614 P HA -0.220 nan 4.420 nan 0.000 0.216 1614 P C 1.362 178.834 177.300 0.286 0.000 1.150 1614 P CA 1.386 64.579 63.100 0.156 0.000 0.837 1614 P CB 0.312 32.030 31.700 0.031 0.000 0.786 1615 I N -0.492 120.368 120.570 0.483 0.000 2.353 1615 I HA -0.130 4.040 4.170 0.000 0.000 0.248 1615 I C 2.080 178.315 176.117 0.197 0.000 1.119 1615 I CA 1.532 62.998 61.300 0.277 0.000 1.417 1615 I CB -1.480 36.627 38.000 0.179 0.000 1.078 1615 I HN 0.010 nan 8.210 nan 0.000 0.421 1616 T N 0.990 115.604 114.554 0.099 0.000 2.833 1616 T HA -0.134 4.216 4.350 0.000 0.000 0.269 1616 T C 1.929 176.672 174.700 0.071 0.000 1.054 1616 T CA 1.123 63.236 62.100 0.021 0.000 1.135 1616 T CB -0.073 68.776 68.868 -0.032 0.000 0.869 1616 T HN 0.324 nan 8.240 nan 0.000 0.466 1617 K N -0.063 120.407 120.400 0.117 0.000 2.103 1617 K HA -0.027 4.293 4.320 0.000 0.000 0.204 1617 K C 2.085 178.750 176.600 0.109 0.000 1.052 1617 K CA 0.855 57.199 56.287 0.094 0.000 0.945 1617 K CB -0.253 32.303 32.500 0.093 0.000 0.722 1617 K HN 0.386 nan 8.250 nan 0.000 0.443 1618 Y N 2.049 122.378 120.300 0.048 0.000 2.114 1618 Y HA -0.204 4.346 4.550 0.000 0.000 0.284 1618 Y C 1.868 177.791 175.900 0.038 0.000 1.143 1618 Y CA 1.457 59.582 58.100 0.041 0.000 1.135 1618 Y CB -0.297 38.193 38.460 0.049 0.000 0.980 1618 Y HN -0.095 nan 8.280 nan 0.000 0.499 1619 I N -0.274 120.292 120.570 -0.006 0.000 2.361 1619 I HA -0.338 3.832 4.170 0.000 0.000 0.251 1619 I C 2.518 178.614 176.117 -0.034 0.000 1.133 1619 I CA 1.455 62.713 61.300 -0.069 0.000 1.413 1619 I CB -0.394 37.687 38.000 0.134 0.000 1.073 1619 I HN 0.333 nan 8.210 nan 0.000 0.424 1620 M N 0.302 119.900 119.600 -0.002 0.000 2.108 1620 M HA -0.219 4.261 4.480 0.000 0.000 0.261 1620 M C 2.460 178.744 176.300 -0.027 0.000 1.066 1620 M CA 2.131 57.436 55.300 0.010 0.000 1.107 1620 M CB -0.325 32.283 32.600 0.013 0.000 1.356 1620 M HN 0.338 nan 8.290 nan 0.000 0.406 1621 A N -1.113 121.659 122.820 -0.080 0.000 2.014 1621 A HA -0.146 4.174 4.320 0.000 0.000 0.218 1621 A C 2.119 179.619 177.584 -0.139 0.000 1.163 1621 A CA 1.238 53.216 52.037 -0.098 0.000 0.652 1621 A CB -1.105 17.840 19.000 -0.093 0.000 0.808 1621 A HN 0.632 nan 8.150 nan 0.000 0.449 1622 C N -0.393 118.770 119.300 -0.227 0.000 2.432 1622 C HA -0.058 4.402 4.460 0.000 0.000 0.282 1622 C C 2.513 177.560 174.990 0.095 0.000 1.388 1622 C CA 0.847 59.755 59.018 -0.184 0.000 1.777 1622 C CB -1.069 26.447 27.740 -0.373 0.000 1.882 1622 C HN 0.565 nan 8.230 nan 0.000 0.520 1623 M N 0.630 120.286 119.600 0.094 0.000 2.557 1623 M HA -0.018 4.462 4.480 0.000 0.000 0.259 1623 M C 1.806 178.039 176.300 -0.110 0.000 1.086 1623 M CA 0.987 56.304 55.300 0.027 0.000 1.096 1623 M CB -1.359 31.257 32.600 0.027 0.000 1.424 1623 M HN 0.241 nan 8.290 nan 0.000 0.488 1624 S N 0.446 116.101 115.700 -0.075 0.000 2.593 1624 S HA 0.320 4.790 4.470 0.000 0.000 0.217 1624 S C 1.055 175.591 174.600 -0.106 0.000 0.966 1624 S CA -0.103 58.043 58.200 -0.091 0.000 0.914 1624 S CB -0.282 62.882 63.200 -0.060 0.000 0.776 1624 S HN 0.484 nan 8.310 nan 0.000 0.523 1625 A N 1.644 124.396 122.820 -0.113 0.000 2.409 1625 A HA 0.258 4.578 4.320 0.000 0.000 0.246 1625 A C -0.133 177.344 177.584 -0.179 0.000 1.099 1625 A CA -0.260 51.712 52.037 -0.109 0.000 0.789 1625 A CB 0.052 19.025 19.000 -0.044 0.000 1.053 1625 A HN 0.186 nan 8.150 nan 0.000 0.503 1626 D N -0.121 120.196 120.400 -0.139 0.000 2.317 1626 D HA 0.482 5.122 4.640 0.000 0.000 0.252 1626 D C -0.923 175.246 176.300 -0.218 0.000 1.174 1626 D CA 0.432 54.346 54.000 -0.144 0.000 0.866 1626 D CB 0.726 41.480 40.800 -0.077 0.000 1.127 1626 D HN 0.162 nan 8.370 nan 0.000 0.467 1627 L N 2.541 123.588 121.223 -0.292 0.000 2.356 1627 L HA 0.304 4.644 4.340 0.000 0.000 0.277 1627 L C -0.041 176.730 176.870 -0.165 0.000 0.996 1627 L CA -0.587 54.008 54.840 -0.408 0.000 0.822 1627 L CB 1.759 43.318 42.059 -0.834 0.000 1.256 1627 L HN 0.328 nan 8.230 nan 0.000 0.413 1628 E N 2.838 123.049 120.200 0.019 0.000 2.200 1628 E HA 0.566 4.916 4.350 0.000 0.000 0.283 1628 E C -1.182 175.497 176.600 0.132 0.000 1.015 1628 E CA -0.422 56.013 56.400 0.059 0.000 0.819 1628 E CB 1.513 31.239 29.700 0.043 0.000 1.081 1628 E HN 0.450 nan 8.360 nan 0.000 0.397 1629 V N 1.422 121.368 119.914 0.053 0.000 2.789 1629 V HA 0.478 4.598 4.120 0.000 0.000 0.311 1629 V C -0.277 175.788 176.094 -0.049 0.000 1.073 1629 V CA -0.992 61.337 62.300 0.049 0.000 0.921 1629 V CB 1.594 33.468 31.823 0.085 0.000 1.009 1629 V HN 0.378 nan 8.190 nan 0.000 0.426 1630 V N 4.495 124.327 119.914 -0.136 0.000 2.811 1630 V HA 0.470 4.590 4.120 0.000 0.000 0.302 1630 V C 0.967 176.947 176.094 -0.189 0.000 1.063 1630 V CA 0.997 63.121 62.300 -0.293 0.000 1.088 1630 V CB 1.418 32.864 31.823 -0.629 0.000 0.982 1630 V HN 1.277 nan 8.190 nan 0.000 0.485 1706 S N -0.337 115.364 115.700 0.002 0.000 2.672 1706 S HA 0.720 5.190 4.470 0.000 0.000 0.276 1706 S C 0.685 175.269 174.600 -0.028 0.000 1.207 1706 S CA -0.434 57.760 58.200 -0.011 0.000 1.002 1706 S CB 1.927 65.091 63.200 -0.060 0.000 0.998 1706 S HN 1.633 nan 8.310 nan 0.000 0.542 1707 V N 1.551 121.433 119.914 -0.054 0.000 2.686 1707 V HA 0.810 4.931 4.120 0.000 0.000 0.295 1707 V C -0.252 175.720 176.094 -0.202 0.000 1.057 1707 V CA -0.437 61.809 62.300 -0.091 0.000 1.012 1707 V CB 1.146 32.950 31.823 -0.031 0.000 1.006 1707 V HN 0.745 nan 8.190 nan 0.000 0.477 1708 V N 4.600 124.398 119.914 -0.193 0.000 2.735 1708 V HA 0.626 4.746 4.120 0.000 0.000 0.310 1708 V C -0.276 175.698 176.094 -0.201 0.000 1.061 1708 V CA -0.868 61.318 62.300 -0.190 0.000 0.913 1708 V CB 1.668 33.415 31.823 -0.127 0.000 1.005 1708 V HN 0.931 nan 8.190 nan 0.000 0.428 1709 I N 4.892 125.350 120.570 -0.187 0.000 2.452 1709 I HA 0.208 4.378 4.170 0.000 0.000 0.287 1709 I C 1.101 177.147 176.117 -0.119 0.000 1.079 1709 I CA 0.223 61.429 61.300 -0.158 0.000 1.387 1709 I CB 1.677 39.596 38.000 -0.136 0.000 1.404 1709 I HN 0.780 nan 8.210 nan 0.000 0.522 1710 V N 2.816 122.663 119.914 -0.112 0.000 3.528 1710 V HA 0.707 4.827 4.120 0.000 0.000 0.294 1710 V C 0.577 176.638 176.094 -0.056 0.000 1.404 1710 V CA 0.470 62.723 62.300 -0.079 0.000 1.065 1710 V CB -0.388 31.387 31.823 -0.079 0.000 0.904 1710 V HN 0.903 nan 8.190 nan 0.000 0.435 1711 G N 0.677 109.442 108.800 -0.058 0.000 2.336 1711 G HA2 0.586 4.546 3.960 0.000 0.000 0.286 1711 G HA3 0.586 4.546 3.960 0.000 0.000 0.286 1711 G C -1.296 173.578 174.900 -0.044 0.000 1.269 1711 G CA -0.455 44.622 45.100 -0.038 0.000 0.873 1711 G HN 0.820 nan 8.290 nan 0.000 0.494 1712 R N -1.576 118.901 120.500 -0.037 0.000 2.709 1712 R HA 0.617 4.957 4.340 0.000 0.000 0.270 1712 R C -1.828 174.431 176.300 -0.068 0.000 1.038 1712 R CA -1.007 55.062 56.100 -0.052 0.000 0.872 1712 R CB 1.000 31.266 30.300 -0.058 0.000 1.259 1712 R HN 0.488 nan 8.270 nan 0.000 0.473 1713 I N 2.697 123.217 120.570 -0.085 0.000 2.328 1713 I HA 0.318 4.489 4.170 0.000 0.000 0.287 1713 I C -0.353 175.643 176.117 -0.202 0.000 1.012 1713 I CA -1.119 60.110 61.300 -0.117 0.000 1.195 1713 I CB 0.967 38.926 38.000 -0.069 0.000 1.350 1713 I HN 0.540 nan 8.210 nan 0.000 0.464 1714 I N 7.388 127.715 120.570 -0.405 0.000 2.325 1714 I HA 0.263 4.433 4.170 0.000 0.000 0.291 1714 I C 0.394 176.254 176.117 -0.428 0.000 1.019 1714 I CA -0.143 60.838 61.300 -0.531 0.000 1.302 1714 I CB 0.736 38.125 38.000 -1.018 0.000 1.401 1714 I HN 0.310 nan 8.210 nan 0.000 0.485 1715 L N 2.851 123.943 121.223 -0.219 0.000 2.332 1715 L HA 0.815 5.155 4.340 0.000 0.000 0.269 1715 L C -0.210 176.616 176.870 -0.073 0.000 1.016 1715 L CA -0.538 54.230 54.840 -0.120 0.000 0.809 1715 L CB 1.678 43.687 42.059 -0.084 0.000 1.280 1715 L HN 0.546 nan 8.230 nan 0.000 0.447 1716 S N -0.381 115.293 115.700 -0.044 0.000 2.561 1716 S HA 0.643 5.114 4.470 0.000 0.000 0.303 1716 S C 0.495 175.060 174.600 -0.057 0.000 1.110 1716 S CA 0.037 58.221 58.200 -0.028 0.000 1.034 1716 S CB 1.469 64.673 63.200 0.007 0.000 1.010 1716 S HN 0.992 nan 8.310 nan 0.000 0.482 1717 G N 2.341 111.106 108.800 -0.059 0.000 2.986 1717 G HA2 0.172 4.132 3.960 0.000 0.000 0.213 1717 G HA3 0.172 4.132 3.960 0.000 0.000 0.213 1717 G C 0.221 175.078 174.900 -0.071 0.000 1.156 1717 G CA -0.109 44.940 45.100 -0.084 0.000 0.763 1717 G HN 0.799 nan 8.290 nan 0.000 0.547 1718 S N 0.508 116.179 115.700 -0.047 0.000 2.548 1718 S HA 0.571 5.042 4.470 0.000 0.000 0.277 1718 S C 1.201 175.775 174.600 -0.044 0.000 1.315 1718 S CA -0.068 58.109 58.200 -0.037 0.000 1.050 1718 S CB 1.474 64.662 63.200 -0.020 0.000 0.918 1718 S HN 1.208 nan 8.310 nan 0.000 0.497 1719 G N 3.353 112.127 108.800 -0.044 0.000 2.611 1719 G HA2 -0.275 3.685 3.960 0.000 0.000 0.301 1719 G HA3 -0.275 3.685 3.960 0.000 0.000 0.301 1719 G C 0.161 175.017 174.900 -0.074 0.000 1.233 1719 G CA 0.198 45.270 45.100 -0.047 0.000 0.993 1719 G HN 1.155 nan 8.290 nan 0.000 0.553 1720 S N 0.000 115.653 115.700 -0.078 0.000 2.498 1720 S HA 0.000 4.470 4.470 0.000 0.000 0.327 1720 S CA 0.000 58.126 58.200 -0.123 0.000 1.107 1720 S CB 0.000 63.140 63.200 -0.099 0.000 0.593 1720 S HN 0.000 nan 8.310 nan 0.000 0.517