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 1vef_1_B DATA FIRST_RESID 1009 DATA SEQUENCE WRALLEAEKT LDSGVYNKHD LLIVRGQGAR VWDAEGNEYI DCVGGYGVAN DATA SEQUENCE LGHGNPEVVE AVKRQAETLM AMPQTLPTPM RGEFYRTLTA ILPPELNRVF DATA SEQUENCE PVNSGTEANE AALKFARAHT GRKKFVAAMR GFSGRTMGSL SVTWEPKYRE DATA SEQUENCE PFLPLVEPVE FIPYNDVEAL KRAVDEETAA VILEPVQGEG GVRPATPEFL DATA SEQUENCE RAAREITQEK GALLILDEIQ TGMGRTGKRF AFEHFGIVPD ILTLAKALGG DATA SEQUENCE GVPLGVAVMR EEVARSMPKG GHGTTFGGNP LAMAAGVAAI RYLERTRLWE DATA SEQUENCE RAAELGPWFM EKLRAIPSPK IREVRGMGLM VGLELKEKAA PYIARLEKEH DATA SEQUENCE RVLALQAGPT VIRFLPPLVI EKEDLERVVE AVRAVLA 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 1009 W HA 0.000 nan 4.660 nan 0.000 0.303 1009 W C 0.000 176.525 176.519 0.010 0.000 1.175 1009 W CA 0.000 57.350 57.345 0.008 0.000 1.226 1009 W CB 0.000 29.468 29.460 0.013 0.000 1.126 1010 R N 2.100 122.143 120.500 -0.761 0.000 2.127 1010 R HA 0.184 4.531 4.340 0.011 0.000 0.238 1010 R C 2.275 178.422 176.300 -0.255 0.000 1.134 1010 R CA 3.173 58.856 56.100 -0.696 0.000 0.975 1010 R CB -1.435 28.394 30.300 -0.785 0.000 0.865 1010 R HN 0.486 nan 8.270 nan 0.000 0.447 1011 A N 0.723 123.442 122.820 -0.168 0.000 1.902 1011 A HA 0.061 4.388 4.320 0.011 0.000 0.217 1011 A C 2.477 180.046 177.584 -0.024 0.000 1.181 1011 A CA 1.390 53.380 52.037 -0.079 0.000 0.623 1011 A CB -0.258 18.709 19.000 -0.054 0.000 0.818 1011 A HN 0.462 nan 8.150 nan 0.000 0.443 1012 L N -1.057 120.176 121.223 0.016 0.000 2.093 1012 L HA -0.128 4.219 4.340 0.011 0.000 0.208 1012 L C 2.510 179.414 176.870 0.057 0.000 1.085 1012 L CA 0.889 55.757 54.840 0.048 0.000 0.755 1012 L CB -0.389 41.719 42.059 0.082 0.000 0.904 1012 L HN 0.476 nan 8.230 nan 0.000 0.435 1013 L N 0.278 121.547 121.223 0.076 0.000 2.056 1013 L HA -0.205 4.141 4.340 0.011 0.000 0.207 1013 L C 2.423 179.316 176.870 0.039 0.000 1.078 1013 L CA 1.875 56.768 54.840 0.088 0.000 0.749 1013 L CB -0.486 41.655 42.059 0.137 0.000 0.901 1013 L HN 0.207 nan 8.230 nan 0.000 0.433 1014 E N -0.069 120.130 120.200 -0.001 0.000 2.110 1014 E HA -0.161 4.196 4.350 0.011 0.000 0.193 1014 E C 2.075 178.679 176.600 0.008 0.000 0.988 1014 E CA 1.491 57.886 56.400 -0.007 0.000 0.804 1014 E CB -0.357 29.322 29.700 -0.035 0.000 0.745 1014 E HN 0.538 nan 8.360 nan 0.000 0.458 1015 A N 0.735 123.561 122.820 0.010 0.000 1.902 1015 A HA -0.241 4.086 4.320 0.011 0.000 0.217 1015 A C 2.248 179.847 177.584 0.025 0.000 1.181 1015 A CA 1.835 53.881 52.037 0.015 0.000 0.623 1015 A CB -0.761 18.248 19.000 0.015 0.000 0.818 1015 A HN 0.476 nan 8.150 nan 0.000 0.443 1016 E N -0.058 120.161 120.200 0.032 0.000 2.051 1016 E HA -0.218 4.139 4.350 0.011 0.000 0.192 1016 E C 1.962 178.591 176.600 0.048 0.000 0.991 1016 E CA 1.491 57.913 56.400 0.038 0.000 0.799 1016 E CB -0.107 29.614 29.700 0.036 0.000 0.748 1016 E HN 0.628 nan 8.360 nan 0.000 0.449 1017 K N -0.352 120.076 120.400 0.047 0.000 2.026 1017 K HA -0.086 4.241 4.320 0.011 0.000 0.208 1017 K C 2.257 178.885 176.600 0.047 0.000 1.048 1017 K CA 1.820 58.139 56.287 0.053 0.000 0.929 1017 K CB -0.144 32.384 32.500 0.047 0.000 0.713 1017 K HN 0.084 nan 8.250 nan 0.000 0.439 1018 T N 1.435 116.009 114.554 0.034 0.000 2.812 1018 T HA 0.002 4.359 4.350 0.011 0.000 0.264 1018 T C 1.609 176.328 174.700 0.032 0.000 1.042 1018 T CA 0.911 63.027 62.100 0.028 0.000 1.140 1018 T CB 0.013 68.891 68.868 0.017 0.000 0.870 1018 T HN 0.091 nan 8.240 nan 0.000 0.445 1019 L N 0.572 121.816 121.223 0.034 0.000 2.592 1019 L HA 0.257 4.604 4.340 0.011 0.000 0.227 1019 L C 0.743 177.642 176.870 0.049 0.000 1.127 1019 L CA -0.183 54.679 54.840 0.036 0.000 0.884 1019 L CB -0.233 41.844 42.059 0.030 0.000 1.065 1019 L HN 0.176 nan 8.230 nan 0.000 0.457 1020 D N -0.318 120.120 120.400 0.063 0.000 2.368 1020 D HA -0.050 4.597 4.640 0.011 0.000 0.240 1020 D C 1.497 177.846 176.300 0.081 0.000 1.169 1020 D CA 0.438 54.493 54.000 0.092 0.000 0.906 1020 D CB 1.116 41.992 40.800 0.126 0.000 1.187 1020 D HN 0.059 nan 8.370 nan 0.000 0.435 1021 S N 1.960 117.713 115.700 0.090 0.000 2.419 1021 S HA -0.030 4.446 4.470 0.011 0.000 0.235 1021 S C 1.838 176.455 174.600 0.027 0.000 1.019 1021 S CA 0.810 59.038 58.200 0.046 0.000 0.982 1021 S CB -0.471 62.744 63.200 0.025 0.000 0.789 1021 S HN 1.075 nan 8.310 nan 0.000 0.490 1022 G N 0.066 108.897 108.800 0.051 0.000 2.175 1022 G HA2 -0.315 3.651 3.960 0.011 0.000 0.244 1022 G HA3 -0.315 3.651 3.960 0.011 0.000 0.244 1022 G C 0.781 175.673 174.900 -0.013 0.000 0.982 1022 G CA 0.540 45.663 45.100 0.038 0.000 0.641 1022 G HN 1.483 nan 8.290 nan 0.000 0.527 1023 V N -2.761 117.074 119.914 -0.132 0.000 3.217 1023 V HA 0.416 4.542 4.120 0.011 0.000 0.264 1023 V C 1.105 177.024 176.094 -0.292 0.000 1.135 1023 V CA 0.616 62.758 62.300 -0.264 0.000 1.142 1023 V CB -0.774 30.784 31.823 -0.442 0.000 0.754 1023 V HN 0.401 nan 8.190 nan 0.000 0.484 1024 Y N 0.656 120.987 120.300 0.051 0.000 2.361 1024 Y HA 0.480 5.035 4.550 0.008 0.000 0.332 1024 Y C 0.461 176.406 175.900 0.075 0.000 1.101 1024 Y CA -0.789 57.349 58.100 0.064 0.000 1.137 1024 Y CB 0.876 39.377 38.460 0.068 0.000 1.207 1024 Y HN 0.025 nan 8.280 nan 0.000 0.463 1025 N N 3.224 122.081 118.700 0.262 0.000 2.469 1025 N HA 0.172 4.919 4.740 0.011 0.000 0.239 1025 N C -1.131 174.537 175.510 0.262 0.000 1.053 1025 N CA -0.581 52.587 53.050 0.198 0.000 0.937 1025 N CB 0.500 39.078 38.487 0.152 0.000 1.163 1025 N HN 0.391 nan 8.380 nan 0.000 0.509 1026 K N 1.920 122.451 120.400 0.218 0.000 2.276 1026 K HA 0.177 4.503 4.320 0.011 0.000 0.283 1026 K C -0.137 176.622 176.600 0.266 0.000 1.044 1026 K CA -0.342 56.077 56.287 0.219 0.000 0.944 1026 K CB 0.895 33.477 32.500 0.136 0.000 1.012 1026 K HN 0.477 nan 8.250 nan 0.000 0.472 1027 H N 0.753 119.845 119.070 0.035 0.000 2.607 1027 H HA -0.037 4.525 4.556 0.011 0.000 0.367 1027 H C -0.340 175.012 175.328 0.040 0.000 1.181 1027 H CA -0.432 55.635 56.048 0.032 0.000 1.402 1027 H CB 0.972 30.740 29.762 0.010 0.000 1.474 1027 H HN 0.553 nan 8.280 nan 0.000 0.596 1028 D N 2.603 123.096 120.400 0.155 0.000 2.558 1028 D HA 0.208 4.854 4.640 0.011 0.000 0.221 1028 D C -1.227 175.167 176.300 0.157 0.000 1.143 1028 D CA -0.287 53.794 54.000 0.136 0.000 1.010 1028 D CB -0.841 40.020 40.800 0.101 0.000 1.068 1028 D HN 0.312 nan 8.370 nan 0.000 0.511 1029 L N 0.348 121.661 121.223 0.151 0.000 3.079 1029 L HA 0.577 4.924 4.340 0.011 0.000 0.278 1029 L C -2.053 174.867 176.870 0.083 0.000 1.026 1029 L CA -1.248 53.661 54.840 0.115 0.000 0.963 1029 L CB 0.625 42.699 42.059 0.025 0.000 1.526 1029 L HN -0.050 nan 8.230 nan 0.000 0.397 1030 L N 1.742 122.971 121.223 0.009 0.000 2.457 1030 L HA 0.696 5.043 4.340 0.011 0.000 0.266 1030 L C -1.343 175.470 176.870 -0.095 0.000 0.979 1030 L CA -0.259 54.585 54.840 0.007 0.000 0.857 1030 L CB 1.328 43.474 42.059 0.146 0.000 1.213 1030 L HN 0.528 nan 8.230 nan 0.000 0.418 1031 I N 6.235 126.734 120.570 -0.118 0.000 2.337 1031 I HA 0.165 4.342 4.170 0.011 0.000 0.291 1031 I C 1.224 177.290 176.117 -0.086 0.000 1.046 1031 I CA 0.002 61.218 61.300 -0.141 0.000 1.324 1031 I CB 1.309 39.181 38.000 -0.214 0.000 1.409 1031 I HN 0.576 nan 8.210 nan 0.000 0.494 1032 V N 4.139 124.026 119.914 -0.046 0.000 3.523 1032 V HA 0.391 4.518 4.120 0.011 0.000 0.255 1032 V C 0.776 176.865 176.094 -0.009 0.000 1.226 1032 V CA 0.162 62.446 62.300 -0.027 0.000 1.092 1032 V CB 0.167 31.974 31.823 -0.028 0.000 0.817 1032 V HN 0.818 nan 8.190 nan 0.000 0.458 1033 R N -0.659 119.868 120.500 0.046 0.000 2.710 1033 R HA 0.641 4.987 4.340 0.011 0.000 0.270 1033 R C -0.949 175.453 176.300 0.170 0.000 1.021 1033 R CA 0.031 56.183 56.100 0.086 0.000 0.889 1033 R CB 2.034 32.376 30.300 0.071 0.000 1.243 1033 R HN 0.430 nan 8.270 nan 0.000 0.464 1034 G N 1.180 110.040 108.800 0.100 0.000 2.696 1034 G HA2 0.447 4.414 3.960 0.011 0.000 0.295 1034 G HA3 0.447 4.414 3.960 0.011 0.000 0.295 1034 G C -1.917 173.122 174.900 0.232 0.000 1.398 1034 G CA -0.342 44.757 45.100 -0.002 0.000 0.920 1034 G HN 0.442 nan 8.290 nan 0.000 0.492 1035 Q N 0.787 120.765 119.800 0.297 0.000 2.296 1035 Q HA 0.489 4.836 4.340 0.011 0.000 0.254 1035 Q C 0.587 176.702 176.000 0.193 0.000 0.936 1035 Q CA 0.365 56.335 55.803 0.279 0.000 0.834 1035 Q CB 1.426 30.387 28.738 0.372 0.000 1.340 1035 Q HN 1.971 nan 8.270 nan 0.000 0.428 1036 G N 2.562 111.447 108.800 0.142 0.000 2.565 1036 G HA2 -0.387 3.580 3.960 0.011 0.000 0.295 1036 G HA3 -0.387 3.580 3.960 0.011 0.000 0.295 1036 G C 0.399 175.343 174.900 0.073 0.000 1.165 1036 G CA 0.344 45.486 45.100 0.070 0.000 0.977 1036 G HN 1.198 nan 8.290 nan 0.000 0.546 1037 A N 0.328 123.168 122.820 0.034 0.000 2.460 1037 A HA 0.629 4.955 4.320 0.011 0.000 0.258 1037 A C 1.080 178.664 177.584 -0.001 0.000 1.300 1037 A CA 0.739 52.790 52.037 0.023 0.000 0.913 1037 A CB 0.077 19.062 19.000 -0.023 0.000 1.031 1037 A HN 0.556 nan 8.150 nan 0.000 0.512 1038 R N -0.636 119.826 120.500 -0.064 0.000 2.740 1038 R HA 0.622 4.968 4.340 0.011 0.000 0.282 1038 R C -0.946 175.036 176.300 -0.529 0.000 0.969 1038 R CA -0.507 55.395 56.100 -0.329 0.000 0.918 1038 R CB 2.405 32.407 30.300 -0.496 0.000 1.175 1038 R HN 0.221 nan 8.270 nan 0.000 0.464 1039 V N -2.105 117.418 119.914 -0.652 0.000 3.078 1039 V HA 0.691 4.818 4.120 0.011 0.000 0.311 1039 V C -1.291 174.488 176.094 -0.526 0.000 1.138 1039 V CA -1.004 60.986 62.300 -0.517 0.000 1.007 1039 V CB 2.578 34.195 31.823 -0.343 0.000 1.045 1039 V HN 0.689 nan 8.190 nan 0.000 0.432 1040 W N 1.120 122.417 121.300 -0.005 0.000 2.844 1040 W HA 0.549 5.215 4.660 0.010 0.000 0.340 1040 W C -0.823 175.691 176.519 -0.007 0.000 1.093 1040 W CA -0.295 57.081 57.345 0.053 0.000 1.212 1040 W CB 2.363 31.813 29.460 -0.017 0.000 1.422 1040 W HN 0.965 nan 8.180 nan 0.000 0.515 1041 D N -0.251 120.299 120.400 0.250 0.000 2.466 1041 D HA 0.405 5.052 4.640 0.011 0.000 0.262 1041 D C 1.020 177.248 176.300 -0.119 0.000 1.177 1041 D CA -0.544 53.467 54.000 0.019 0.000 1.035 1041 D CB 0.285 41.102 40.800 0.027 0.000 1.105 1041 D HN 0.263 nan 8.370 nan 0.000 0.551 1042 A N -0.709 121.889 122.820 -0.370 0.000 2.125 1042 A HA -0.141 4.185 4.320 0.011 0.000 0.219 1042 A C 1.487 178.679 177.584 -0.653 0.000 1.156 1042 A CA 1.027 52.725 52.037 -0.565 0.000 0.671 1042 A CB -0.703 17.775 19.000 -0.870 0.000 0.794 1042 A HN 0.635 nan 8.150 nan 0.000 0.459 1043 E N -1.664 118.202 120.200 -0.557 0.000 2.474 1043 E HA 0.297 4.654 4.350 0.011 0.000 0.195 1043 E C 1.054 177.582 176.600 -0.120 0.000 1.039 1043 E CA 0.232 56.439 56.400 -0.320 0.000 0.881 1043 E CB 0.101 29.656 29.700 -0.241 0.000 0.970 1043 E HN 0.681 nan 8.360 nan 0.000 0.486 1044 G N 1.899 110.659 108.800 -0.066 0.000 2.175 1044 G HA2 -0.222 3.745 3.960 0.011 0.000 0.244 1044 G HA3 -0.222 3.745 3.960 0.011 0.000 0.244 1044 G C 0.022 175.001 174.900 0.132 0.000 0.982 1044 G CA -0.357 44.764 45.100 0.036 0.000 0.641 1044 G HN 0.172 nan 8.290 nan 0.000 0.527 1045 N N 1.102 119.848 118.700 0.077 0.000 2.513 1045 N HA 0.338 5.085 4.740 0.011 0.000 0.268 1045 N C -0.039 175.461 175.510 -0.018 0.000 1.180 1045 N CA 0.204 53.239 53.050 -0.025 0.000 0.948 1045 N CB 1.297 39.688 38.487 -0.159 0.000 1.083 1045 N HN 0.649 nan 8.380 nan 0.000 0.455 1046 E N 1.803 121.893 120.200 -0.184 0.000 2.191 1046 E HA 0.274 4.630 4.350 0.011 0.000 0.278 1046 E C -1.177 175.137 176.600 -0.476 0.000 0.972 1046 E CA -0.465 55.697 56.400 -0.397 0.000 0.804 1046 E CB 0.635 30.150 29.700 -0.308 0.000 1.110 1046 E HN 0.364 nan 8.360 nan 0.000 0.394 1047 Y N 2.292 122.363 120.300 -0.382 0.000 2.524 1047 Y HA 0.419 4.976 4.550 0.012 0.000 0.344 1047 Y C 0.026 175.789 175.900 -0.227 0.000 1.012 1047 Y CA -0.929 57.038 58.100 -0.221 0.000 1.068 1047 Y CB 1.317 39.681 38.460 -0.160 0.000 1.249 1047 Y HN 0.408 nan 8.280 nan 0.000 0.468 1048 I N 2.363 122.959 120.570 0.043 0.000 2.325 1048 I HA 0.110 4.286 4.170 0.011 0.000 0.291 1048 I C -0.479 175.672 176.117 0.058 0.000 1.019 1048 I CA -0.309 60.996 61.300 0.007 0.000 1.302 1048 I CB 0.708 38.719 38.000 0.019 0.000 1.401 1048 I HN 0.546 nan 8.210 nan 0.000 0.485 1049 D N 6.247 126.666 120.400 0.032 0.000 2.441 1049 D HA 0.172 4.818 4.640 0.011 0.000 0.221 1049 D C 0.073 176.418 176.300 0.075 0.000 1.156 1049 D CA -0.244 53.792 54.000 0.059 0.000 0.896 1049 D CB 0.719 41.577 40.800 0.097 0.000 1.028 1049 D HN 0.485 nan 8.370 nan 0.000 0.509 1050 C N 3.323 122.690 119.300 0.112 0.000 2.688 1050 C HA 0.193 4.660 4.460 0.011 0.000 0.297 1050 C C 1.978 177.046 174.990 0.130 0.000 1.308 1050 C CA -0.343 58.771 59.018 0.161 0.000 1.726 1050 C CB -0.851 27.093 27.740 0.340 0.000 1.982 1050 C HN 0.549 nan 8.230 nan 0.000 0.604 1051 V N 0.401 120.365 119.914 0.083 0.000 2.690 1051 V HA 0.273 4.399 4.120 0.011 0.000 0.240 1051 V C 1.943 178.069 176.094 0.053 0.000 1.078 1051 V CA 1.569 63.915 62.300 0.076 0.000 1.102 1051 V CB -0.969 30.866 31.823 0.021 0.000 0.800 1051 V HN 0.462 nan 8.190 nan 0.000 0.479 1052 G N 0.916 109.731 108.800 0.026 0.000 2.395 1052 G HA2 -0.068 3.898 3.960 0.011 0.000 0.300 1052 G HA3 -0.068 3.898 3.960 0.011 0.000 0.300 1052 G C 1.056 175.919 174.900 -0.061 0.000 0.998 1052 G CA 0.569 45.650 45.100 -0.032 0.000 1.046 1052 G HN 1.667 nan 8.290 nan 0.000 0.513 1053 G N -0.387 108.341 108.800 -0.119 0.000 2.225 1053 G HA2 -0.090 3.876 3.960 0.011 0.000 0.267 1053 G HA3 -0.090 3.876 3.960 0.011 0.000 0.267 1053 G C 0.689 175.489 174.900 -0.167 0.000 1.024 1053 G CA 0.782 45.736 45.100 -0.243 0.000 0.784 1053 G HN 2.143 nan 8.290 nan 0.000 0.507 1054 Y N -2.625 117.667 120.300 -0.013 0.000 4.032 1054 Y HA -0.134 4.423 4.550 0.011 0.000 0.230 1054 Y C 1.938 177.847 175.900 0.015 0.000 1.202 1054 Y CA 1.644 59.741 58.100 -0.004 0.000 1.878 1054 Y CB -1.854 36.602 38.460 -0.007 0.000 1.586 1054 Y HN 2.051 nan 8.280 nan 0.000 0.673 1055 G N -2.318 106.564 108.800 0.136 0.000 2.148 1055 G HA2 -0.199 3.767 3.960 0.011 0.000 0.203 1055 G HA3 -0.199 3.767 3.960 0.011 0.000 0.203 1055 G C 0.668 175.607 174.900 0.065 0.000 0.993 1055 G CA 0.091 45.250 45.100 0.097 0.000 0.661 1055 G HN 0.554 nan 8.290 nan 0.000 0.518 1056 V N 0.405 120.338 119.914 0.033 0.000 2.599 1056 V HA 0.313 4.440 4.120 0.011 0.000 0.245 1056 V C 2.627 178.696 176.094 -0.042 0.000 1.046 1056 V CA 2.227 64.532 62.300 0.009 0.000 1.065 1056 V CB 0.101 31.921 31.823 -0.006 0.000 0.703 1056 V HN 0.996 nan 8.190 nan 0.000 0.464 1057 A N 0.463 123.217 122.820 -0.110 0.000 2.281 1057 A HA 0.036 4.363 4.320 0.011 0.000 0.231 1057 A C 1.558 179.051 177.584 -0.152 0.000 1.317 1057 A CA 0.221 52.127 52.037 -0.219 0.000 0.959 1057 A CB -0.880 17.801 19.000 -0.531 0.000 0.900 1057 A HN 0.550 nan 8.150 nan 0.000 0.497 1058 N N 0.707 119.373 118.700 -0.057 0.000 2.069 1058 N HA -0.198 4.548 4.740 0.011 0.000 0.196 1058 N C 1.150 176.660 175.510 -0.000 0.000 1.024 1058 N CA 1.709 54.754 53.050 -0.009 0.000 0.869 1058 N CB -0.428 38.080 38.487 0.036 0.000 1.035 1058 N HN 0.620 nan 8.380 nan 0.000 0.434 1059 L N -0.617 120.596 121.223 -0.016 0.000 2.627 1059 L HA 0.270 4.616 4.340 0.011 0.000 0.233 1059 L C 0.681 177.473 176.870 -0.130 0.000 1.144 1059 L CA -0.110 54.714 54.840 -0.026 0.000 0.892 1059 L CB -1.016 40.987 42.059 -0.093 0.000 1.039 1059 L HN 0.188 nan 8.230 nan 0.000 0.442 1060 G N -0.198 108.523 108.800 -0.132 0.000 2.785 1060 G HA2 -0.173 3.793 3.960 0.011 0.000 0.686 1060 G HA3 -0.173 3.793 3.960 0.011 0.000 0.686 1060 G C -0.491 174.322 174.900 -0.146 0.000 1.155 1060 G CA -0.986 44.030 45.100 -0.139 0.000 0.760 1060 G HN 0.180 nan 8.290 nan 0.000 0.624 1061 H N 0.481 119.528 119.070 -0.038 0.000 2.964 1061 H HA 0.362 4.925 4.556 0.011 0.000 0.328 1061 H C 1.642 176.955 175.328 -0.025 0.000 1.030 1061 H CA 1.822 57.853 56.048 -0.028 0.000 1.445 1061 H CB 0.905 30.664 29.762 -0.005 0.000 1.449 1061 H HN 2.138 nan 8.280 nan 0.000 0.581 1062 G N 3.616 112.470 108.800 0.090 0.000 2.273 1062 G HA2 -0.334 3.632 3.960 0.011 0.000 0.280 1062 G HA3 -0.334 3.632 3.960 0.011 0.000 0.280 1062 G C 0.381 175.262 174.900 -0.032 0.000 1.047 1062 G CA 0.508 45.626 45.100 0.030 0.000 0.869 1062 G HN 0.838 nan 8.290 nan 0.000 0.502 1063 N N 0.478 119.121 118.700 -0.096 0.000 2.365 1063 N HA 0.254 5.001 4.740 0.011 0.000 0.265 1063 N C -0.167 175.255 175.510 -0.146 0.000 1.288 1063 N CA -0.443 52.485 53.050 -0.204 0.000 0.869 1063 N CB 0.728 39.009 38.487 -0.343 0.000 1.071 1063 N HN 0.114 nan 8.380 nan 0.000 0.480 1064 P HA -0.169 nan 4.420 nan 0.000 0.215 1064 P C 0.460 177.730 177.300 -0.050 0.000 1.157 1064 P CA 1.421 64.486 63.100 -0.059 0.000 0.874 1064 P CB 0.200 31.882 31.700 -0.029 0.000 0.790 1065 E N -0.933 119.229 120.200 -0.063 0.000 2.072 1065 E HA -0.110 4.247 4.350 0.011 0.000 0.191 1065 E C 1.982 178.569 176.600 -0.022 0.000 0.985 1065 E CA 0.939 57.331 56.400 -0.013 0.000 0.801 1065 E CB -0.978 28.752 29.700 0.050 0.000 0.750 1065 E HN 0.019 nan 8.360 nan 0.000 0.452 1066 V N 0.159 120.034 119.914 -0.064 0.000 2.358 1066 V HA -0.203 3.924 4.120 0.011 0.000 0.246 1066 V C 2.180 178.253 176.094 -0.035 0.000 1.047 1066 V CA 1.172 63.446 62.300 -0.043 0.000 1.035 1066 V CB -0.343 31.441 31.823 -0.066 0.000 0.658 1066 V HN 0.141 nan 8.190 nan 0.000 0.452 1067 V N 0.234 120.123 119.914 -0.042 0.000 2.343 1067 V HA -0.265 3.861 4.120 0.011 0.000 0.247 1067 V C 2.585 178.666 176.094 -0.022 0.000 1.051 1067 V CA 2.309 64.591 62.300 -0.030 0.000 1.036 1067 V CB -0.582 31.224 31.823 -0.029 0.000 0.654 1067 V HN 0.629 nan 8.190 nan 0.000 0.451 1068 E N 0.923 121.113 120.200 -0.017 0.000 2.077 1068 E HA -0.190 4.167 4.350 0.011 0.000 0.193 1068 E C 2.108 178.705 176.600 -0.006 0.000 0.989 1068 E CA 1.795 58.190 56.400 -0.009 0.000 0.800 1068 E CB -0.528 29.171 29.700 -0.002 0.000 0.746 1068 E HN 0.500 nan 8.360 nan 0.000 0.452 1069 A N 0.072 122.890 122.820 -0.003 0.000 1.902 1069 A HA -0.132 4.194 4.320 0.011 0.000 0.217 1069 A C 2.533 180.111 177.584 -0.010 0.000 1.181 1069 A CA 1.659 53.696 52.037 0.001 0.000 0.623 1069 A CB -0.797 18.209 19.000 0.010 0.000 0.818 1069 A HN 0.209 nan 8.150 nan 0.000 0.443 1070 V N 0.125 120.028 119.914 -0.018 0.000 2.343 1070 V HA -0.277 3.850 4.120 0.011 0.000 0.247 1070 V C 2.475 178.555 176.094 -0.024 0.000 1.051 1070 V CA 2.377 64.661 62.300 -0.027 0.000 1.036 1070 V CB -0.655 31.148 31.823 -0.033 0.000 0.654 1070 V HN 0.552 nan 8.190 nan 0.000 0.451 1071 K N -0.389 119.999 120.400 -0.020 0.000 2.002 1071 K HA -0.147 4.180 4.320 0.011 0.000 0.209 1071 K C 2.429 179.020 176.600 -0.014 0.000 1.048 1071 K CA 1.222 57.498 56.287 -0.018 0.000 0.930 1071 K CB -0.256 32.235 32.500 -0.015 0.000 0.714 1071 K HN 0.266 nan 8.250 nan 0.000 0.438 1072 R N 0.894 121.387 120.500 -0.011 0.000 2.096 1072 R HA -0.128 4.219 4.340 0.011 0.000 0.235 1072 R C 2.304 178.598 176.300 -0.010 0.000 1.127 1072 R CA 1.330 57.426 56.100 -0.008 0.000 0.968 1072 R CB -0.435 29.863 30.300 -0.003 0.000 0.861 1072 R HN 0.256 nan 8.270 nan 0.000 0.440 1073 Q N 0.668 120.461 119.800 -0.013 0.000 2.123 1073 Q HA 0.059 4.406 4.340 0.011 0.000 0.199 1073 Q C 1.867 177.856 176.000 -0.019 0.000 0.966 1073 Q CA 1.690 57.483 55.803 -0.016 0.000 0.845 1073 Q CB -0.264 28.461 28.738 -0.022 0.000 0.907 1073 Q HN 0.293 nan 8.270 nan 0.000 0.439 1074 A N 0.460 123.267 122.820 -0.022 0.000 1.978 1074 A HA -0.216 4.110 4.320 0.011 0.000 0.220 1074 A C 1.792 179.366 177.584 -0.016 0.000 1.170 1074 A CA 1.738 53.761 52.037 -0.023 0.000 0.636 1074 A CB -0.501 18.484 19.000 -0.025 0.000 0.810 1074 A HN 0.566 nan 8.150 nan 0.000 0.448 1075 E N -1.114 119.078 120.200 -0.013 0.000 2.285 1075 E HA -0.053 4.303 4.350 0.011 0.000 0.194 1075 E C 1.724 178.319 176.600 -0.008 0.000 0.997 1075 E CA 1.257 57.651 56.400 -0.010 0.000 0.845 1075 E CB -0.093 29.601 29.700 -0.009 0.000 0.782 1075 E HN 0.607 nan 8.360 nan 0.000 0.491 1076 T N 0.599 115.147 114.554 -0.009 0.000 2.925 1076 T HA 0.158 4.515 4.350 0.011 0.000 0.245 1076 T C 0.150 174.845 174.700 -0.008 0.000 1.025 1076 T CA 0.394 62.490 62.100 -0.008 0.000 1.149 1076 T CB 0.271 69.135 68.868 -0.007 0.000 0.866 1076 T HN -0.062 nan 8.240 nan 0.000 0.437 1077 L N -0.339 120.878 121.223 -0.010 0.000 2.735 1077 L HA 0.449 4.796 4.340 0.011 0.000 0.258 1077 L C -0.541 176.322 176.870 -0.012 0.000 0.920 1077 L CA -0.128 54.707 54.840 -0.009 0.000 0.958 1077 L CB 1.308 43.361 42.059 -0.009 0.000 1.499 1077 L HN 0.049 nan 8.230 nan 0.000 0.441 1078 M N 2.583 122.179 119.600 -0.006 0.000 2.564 1078 M HA 0.539 5.025 4.480 0.011 0.000 0.254 1078 M C 0.424 176.732 176.300 0.013 0.000 1.299 1078 M CA 0.611 55.907 55.300 -0.008 0.000 1.143 1078 M CB 0.921 33.514 32.600 -0.012 0.000 1.427 1078 M HN 0.618 nan 8.290 nan 0.000 0.538 1079 A N 1.493 124.328 122.820 0.025 0.000 2.267 1079 A HA 0.787 5.114 4.320 0.011 0.000 0.315 1079 A C -0.875 176.724 177.584 0.023 0.000 1.297 1079 A CA -0.260 51.805 52.037 0.045 0.000 0.865 1079 A CB 0.444 19.479 19.000 0.059 0.000 1.165 1079 A HN 0.302 nan 8.150 nan 0.000 0.513 1080 M N 5.033 124.644 119.600 0.019 0.000 2.265 1080 M HA 0.428 4.914 4.480 0.011 0.000 0.262 1080 M C -2.816 173.483 176.300 -0.001 0.000 1.026 1080 M CA -1.904 53.398 55.300 0.003 0.000 0.987 1080 M CB 2.228 34.823 32.600 -0.008 0.000 1.937 1080 M HN 0.465 nan 8.290 nan 0.000 0.481 1081 P HA 0.152 nan 4.420 nan 0.000 0.274 1081 P C -0.286 177.006 177.300 -0.013 0.000 1.246 1081 P CA -0.047 63.045 63.100 -0.012 0.000 0.795 1081 P CB 0.706 32.397 31.700 -0.015 0.000 1.006 1082 Q N 0.093 119.886 119.800 -0.012 0.000 2.364 1082 Q HA -0.077 4.270 4.340 0.011 0.000 0.209 1082 Q C 1.747 177.756 176.000 0.016 0.000 0.977 1082 Q CA 1.973 57.776 55.803 -0.001 0.000 0.885 1082 Q CB -0.803 27.938 28.738 0.005 0.000 0.941 1082 Q HN 0.666 nan 8.270 nan 0.000 0.464 1083 T N -2.552 112.010 114.554 0.013 0.000 3.055 1083 T HA 0.092 4.449 4.350 0.011 0.000 0.265 1083 T C 0.970 175.678 174.700 0.012 0.000 1.111 1083 T CA 0.203 62.315 62.100 0.019 0.000 1.118 1083 T CB 0.067 68.945 68.868 0.016 0.000 0.909 1083 T HN 0.026 nan 8.240 nan 0.000 0.501 1084 L N 2.127 123.351 121.223 0.002 0.000 2.324 1084 L HA 0.462 4.808 4.340 0.011 0.000 0.274 1084 L C -2.711 174.151 176.870 -0.013 0.000 1.012 1084 L CA -2.480 52.358 54.840 -0.003 0.000 0.859 1084 L CB 1.424 43.480 42.059 -0.004 0.000 1.224 1084 L HN -0.136 nan 8.230 nan 0.000 0.429 1085 P HA 0.019 nan 4.420 nan 0.000 0.265 1085 P C -0.367 176.911 177.300 -0.036 0.000 1.187 1085 P CA 0.322 63.404 63.100 -0.031 0.000 0.766 1085 P CB 0.719 32.409 31.700 -0.018 0.000 0.820 1086 T N 2.732 117.252 114.554 -0.057 0.000 2.971 1086 T HA 0.347 4.704 4.350 0.011 0.000 0.304 1086 T C -1.805 172.859 174.700 -0.059 0.000 1.038 1086 T CA -2.029 60.042 62.100 -0.048 0.000 1.007 1086 T CB 1.030 69.871 68.868 -0.045 0.000 1.055 1086 T HN 0.172 nan 8.240 nan 0.000 0.451 1087 P HA -0.190 nan 4.420 nan 0.000 0.218 1087 P C 1.662 178.945 177.300 -0.029 0.000 1.154 1087 P CA 1.441 64.523 63.100 -0.030 0.000 0.872 1087 P CB 0.074 31.767 31.700 -0.013 0.000 0.790 1088 M N -1.148 118.436 119.600 -0.026 0.000 2.279 1088 M HA -0.100 4.387 4.480 0.011 0.000 0.264 1088 M C 2.454 178.748 176.300 -0.010 0.000 1.062 1088 M CA 1.225 56.522 55.300 -0.005 0.000 1.099 1088 M CB -1.136 31.456 32.600 -0.012 0.000 1.394 1088 M HN 0.011 nan 8.290 nan 0.000 0.426 1089 R N -0.017 120.426 120.500 -0.094 0.000 2.062 1089 R HA -0.070 4.276 4.340 0.011 0.000 0.229 1089 R C 2.249 178.340 176.300 -0.349 0.000 1.128 1089 R CA 1.548 57.514 56.100 -0.223 0.000 0.960 1089 R CB -0.427 29.681 30.300 -0.320 0.000 0.855 1089 R HN 0.397 nan 8.270 nan 0.000 0.432 1090 G N 0.345 108.998 108.800 -0.246 0.000 2.422 1090 G HA2 -0.304 3.662 3.960 0.011 0.000 0.218 1090 G HA3 -0.304 3.662 3.960 0.011 0.000 0.218 1090 G C 1.292 176.190 174.900 -0.004 0.000 1.146 1090 G CA 0.890 45.900 45.100 -0.150 0.000 0.769 1090 G HN 0.359 nan 8.290 nan 0.000 0.547 1091 E N 0.063 120.277 120.200 0.024 0.000 2.072 1091 E HA -0.096 4.261 4.350 0.011 0.000 0.191 1091 E C 1.968 178.650 176.600 0.137 0.000 0.985 1091 E CA 0.608 57.053 56.400 0.075 0.000 0.801 1091 E CB -0.517 29.227 29.700 0.073 0.000 0.750 1091 E HN 0.322 nan 8.360 nan 0.000 0.452 1092 F N -0.130 119.839 119.950 0.032 0.000 2.134 1092 F HA -0.202 4.333 4.527 0.013 0.000 0.299 1092 F C 1.686 177.622 175.800 0.226 0.000 1.097 1092 F CA 1.354 59.418 58.000 0.106 0.000 1.264 1092 F CB -0.485 38.571 39.000 0.094 0.000 1.001 1092 F HN 0.078 nan 8.300 nan 0.000 0.479 1093 Y N 1.534 121.816 120.300 -0.031 0.000 2.097 1093 Y HA -0.236 4.321 4.550 0.011 0.000 0.282 1093 Y C 2.743 178.554 175.900 -0.149 0.000 1.152 1093 Y CA 1.930 59.959 58.100 -0.118 0.000 1.136 1093 Y CB -1.374 37.085 38.460 -0.001 0.000 0.975 1093 Y HN 0.211 nan 8.280 nan 0.000 0.498 1094 R N -1.290 119.268 120.500 0.097 0.000 2.115 1094 R HA -0.057 4.290 4.340 0.011 0.000 0.226 1094 R C 1.834 178.123 176.300 -0.018 0.000 1.100 1094 R CA 1.675 57.793 56.100 0.030 0.000 0.980 1094 R CB -1.089 29.239 30.300 0.046 0.000 0.875 1094 R HN 0.066 nan 8.270 nan 0.000 0.445 1095 T N 1.737 116.269 114.554 -0.037 0.000 2.821 1095 T HA -0.057 4.300 4.350 0.011 0.000 0.267 1095 T C 1.646 176.285 174.700 -0.103 0.000 1.046 1095 T CA 1.139 63.216 62.100 -0.039 0.000 1.139 1095 T CB -0.115 68.758 68.868 0.009 0.000 0.871 1095 T HN 0.128 nan 8.240 nan 0.000 0.454 1096 L N 1.809 122.866 121.223 -0.277 0.000 2.044 1096 L HA -0.010 4.336 4.340 0.011 0.000 0.205 1096 L C 2.680 179.465 176.870 -0.142 0.000 1.075 1096 L CA 2.138 56.807 54.840 -0.284 0.000 0.747 1096 L CB -1.347 40.342 42.059 -0.617 0.000 0.903 1096 L HN 0.369 nan 8.230 nan 0.000 0.435 1097 T N -2.880 111.588 114.554 -0.143 0.000 2.915 1097 T HA -0.059 4.298 4.350 0.011 0.000 0.269 1097 T C 1.853 176.528 174.700 -0.043 0.000 1.071 1097 T CA 0.854 62.897 62.100 -0.096 0.000 1.132 1097 T CB -0.812 68.000 68.868 -0.094 0.000 0.878 1097 T HN 0.349 nan 8.240 nan 0.000 0.479 1098 A N 2.103 124.908 122.820 -0.025 0.000 2.067 1098 A HA 0.235 4.561 4.320 0.011 0.000 0.219 1098 A C 2.203 179.805 177.584 0.030 0.000 1.158 1098 A CA 1.109 53.149 52.037 0.005 0.000 0.661 1098 A CB -0.827 18.181 19.000 0.013 0.000 0.801 1098 A HN 0.881 nan 8.150 nan 0.000 0.452 1099 I N -3.432 117.167 120.570 0.049 0.000 3.904 1099 I HA 0.436 4.612 4.170 0.011 0.000 0.333 1099 I C -0.274 175.940 176.117 0.161 0.000 1.361 1099 I CA -0.199 61.164 61.300 0.105 0.000 1.116 1099 I CB -0.061 38.028 38.000 0.149 0.000 1.028 1099 I HN -0.012 nan 8.210 nan 0.000 0.398 1100 L N 0.464 121.734 121.223 0.078 0.000 2.279 1100 L HA 0.675 5.021 4.340 0.011 0.000 0.262 1100 L C -2.344 174.549 176.870 0.037 0.000 1.019 1100 L CA -2.123 52.755 54.840 0.063 0.000 0.823 1100 L CB 1.537 43.559 42.059 -0.061 0.000 1.358 1100 L HN -0.162 nan 8.230 nan 0.000 0.432 1101 P HA 0.085 nan 4.420 nan 0.000 0.268 1101 P C -2.139 175.132 177.300 -0.048 0.000 1.208 1101 P CA -0.825 62.270 63.100 -0.007 0.000 0.777 1101 P CB 0.116 31.778 31.700 -0.063 0.000 0.875 1102 P HA -0.202 nan 4.420 nan 0.000 0.217 1102 P C 0.967 178.228 177.300 -0.066 0.000 1.148 1102 P CA 1.480 64.555 63.100 -0.042 0.000 0.828 1102 P CB 0.040 31.723 31.700 -0.029 0.000 0.783 1103 E N -0.762 119.387 120.200 -0.085 0.000 2.150 1103 E HA -0.063 4.294 4.350 0.011 0.000 0.193 1103 E C 0.568 177.089 176.600 -0.132 0.000 0.985 1103 E CA 0.586 56.924 56.400 -0.104 0.000 0.814 1103 E CB -0.580 29.049 29.700 -0.119 0.000 0.752 1103 E HN 0.260 nan 8.360 nan 0.000 0.466 1104 L N 2.699 123.829 121.223 -0.155 0.000 2.375 1104 L HA 0.168 4.514 4.340 0.011 0.000 0.276 1104 L C 0.238 177.017 176.870 -0.151 0.000 1.162 1104 L CA -0.392 54.340 54.840 -0.180 0.000 0.991 1104 L CB -0.111 41.812 42.059 -0.227 0.000 1.315 1104 L HN 0.180 nan 8.230 nan 0.000 0.431 1105 N N 0.822 119.439 118.700 -0.139 0.000 2.197 1105 N HA 0.084 4.831 4.740 0.011 0.000 0.228 1105 N C -0.005 175.420 175.510 -0.141 0.000 1.212 1105 N CA -0.410 52.567 53.050 -0.122 0.000 0.883 1105 N CB 0.629 39.066 38.487 -0.083 0.000 1.107 1105 N HN 0.187 nan 8.380 nan 0.000 0.519 1106 R N 0.503 120.896 120.500 -0.179 0.000 2.513 1106 R HA 0.500 4.847 4.340 0.011 0.000 0.301 1106 R C -1.212 174.925 176.300 -0.271 0.000 0.968 1106 R CA -0.670 55.307 56.100 -0.204 0.000 0.872 1106 R CB 2.320 32.528 30.300 -0.153 0.000 1.177 1106 R HN -0.075 nan 8.270 nan 0.000 0.444 1107 V N 3.693 123.371 119.914 -0.393 0.000 2.513 1107 V HA 0.481 4.608 4.120 0.011 0.000 0.299 1107 V C -0.714 175.234 176.094 -0.243 0.000 1.035 1107 V CA -0.799 61.256 62.300 -0.407 0.000 0.889 1107 V CB 1.803 33.207 31.823 -0.699 0.000 0.988 1107 V HN 0.615 nan 8.190 nan 0.000 0.440 1108 F N 7.796 127.632 119.950 -0.189 0.000 2.532 1108 F HA 0.599 5.132 4.527 0.011 0.000 0.365 1108 F C -2.401 173.445 175.800 0.077 0.000 1.112 1108 F CA -2.484 55.501 58.000 -0.025 0.000 1.082 1108 F CB 1.829 40.810 39.000 -0.031 0.000 1.319 1108 F HN 0.328 nan 8.300 nan 0.000 0.457 1109 P HA 0.303 nan 4.420 nan 0.000 0.279 1109 P C -0.908 176.281 177.300 -0.185 0.000 1.239 1109 P CA 0.054 63.121 63.100 -0.054 0.000 0.789 1109 P CB 2.188 33.936 31.700 0.081 0.000 0.933 1110 V N 0.221 120.137 119.914 0.002 0.000 3.087 1110 V HA 0.550 4.677 4.120 0.011 0.000 0.311 1110 V C 0.543 176.672 176.094 0.058 0.000 1.333 1110 V CA -0.692 61.642 62.300 0.056 0.000 1.054 1110 V CB 1.672 33.609 31.823 0.190 0.000 1.123 1110 V HN 0.401 nan 8.190 nan 0.000 0.473 1111 N N 0.584 119.339 118.700 0.092 0.000 2.171 1111 N HA 0.275 5.021 4.740 0.011 0.000 0.212 1111 N C 0.118 175.672 175.510 0.073 0.000 1.184 1111 N CA 0.820 53.913 53.050 0.072 0.000 0.888 1111 N CB 1.017 39.569 38.487 0.109 0.000 1.038 1111 N HN 0.965 nan 8.380 nan 0.000 0.517 1112 S N -2.489 113.269 115.700 0.096 0.000 2.615 1112 S HA 0.468 4.945 4.470 0.011 0.000 0.268 1112 S C 0.851 175.520 174.600 0.114 0.000 1.146 1112 S CA -0.396 57.864 58.200 0.100 0.000 0.818 1112 S CB 0.990 64.249 63.200 0.099 0.000 1.111 1112 S HN -0.047 nan 8.310 nan 0.000 0.465 1113 G N 0.537 109.409 108.800 0.119 0.000 2.402 1113 G HA2 -0.081 3.886 3.960 0.011 0.000 0.216 1113 G HA3 -0.081 3.886 3.960 0.011 0.000 0.216 1113 G C 1.259 176.213 174.900 0.090 0.000 1.162 1113 G CA 1.497 46.668 45.100 0.119 0.000 0.777 1113 G HN 0.901 nan 8.290 nan 0.000 0.539 1114 T N 0.154 114.754 114.554 0.075 0.000 2.788 1114 T HA -0.086 4.271 4.350 0.011 0.000 0.268 1114 T C 2.203 176.938 174.700 0.058 0.000 1.044 1114 T CA 1.853 63.971 62.100 0.030 0.000 1.139 1114 T CB -0.234 68.642 68.868 0.013 0.000 0.867 1114 T HN 0.477 nan 8.240 nan 0.000 0.454 1115 E N 0.205 120.467 120.200 0.102 0.000 2.106 1115 E HA -0.041 4.316 4.350 0.011 0.000 0.192 1115 E C 2.500 179.214 176.600 0.190 0.000 0.984 1115 E CA 0.898 57.391 56.400 0.155 0.000 0.806 1115 E CB -0.204 29.601 29.700 0.176 0.000 0.750 1115 E HN 0.583 nan 8.360 nan 0.000 0.458 1116 A N 1.777 124.693 122.820 0.160 0.000 1.902 1116 A HA -0.201 4.126 4.320 0.011 0.000 0.217 1116 A C 1.883 179.527 177.584 0.099 0.000 1.181 1116 A CA 1.401 53.536 52.037 0.162 0.000 0.623 1116 A CB -0.390 18.689 19.000 0.133 0.000 0.818 1116 A HN 0.138 nan 8.150 nan 0.000 0.443 1117 N N -0.074 118.655 118.700 0.048 0.000 2.244 1117 N HA -0.098 4.648 4.740 0.011 0.000 0.183 1117 N C 1.605 177.087 175.510 -0.048 0.000 1.016 1117 N CA 1.122 54.160 53.050 -0.020 0.000 0.866 1117 N CB -0.307 38.146 38.487 -0.057 0.000 0.980 1117 N HN 0.508 nan 8.380 nan 0.000 0.430 1118 E N 1.056 121.252 120.200 -0.005 0.000 2.077 1118 E HA -0.097 4.260 4.350 0.011 0.000 0.193 1118 E C 1.872 178.442 176.600 -0.049 0.000 0.989 1118 E CA 0.871 57.256 56.400 -0.025 0.000 0.800 1118 E CB -0.173 29.554 29.700 0.044 0.000 0.746 1118 E HN 0.313 nan 8.360 nan 0.000 0.452 1119 A N 1.660 124.517 122.820 0.062 0.000 1.902 1119 A HA -0.107 4.220 4.320 0.011 0.000 0.217 1119 A C 2.455 180.093 177.584 0.091 0.000 1.181 1119 A CA 2.051 54.118 52.037 0.051 0.000 0.623 1119 A CB -0.607 18.545 19.000 0.254 0.000 0.818 1119 A HN 0.277 nan 8.150 nan 0.000 0.443 1120 A N -0.175 122.663 122.820 0.030 0.000 1.883 1120 A HA -0.082 4.245 4.320 0.011 0.000 0.217 1120 A C 2.181 179.753 177.584 -0.020 0.000 1.186 1120 A CA 1.589 53.622 52.037 -0.007 0.000 0.624 1120 A CB -0.675 18.291 19.000 -0.057 0.000 0.822 1120 A HN 0.483 nan 8.150 nan 0.000 0.444 1121 L N -0.890 120.258 121.223 -0.124 0.000 2.083 1121 L HA -0.211 4.136 4.340 0.011 0.000 0.209 1121 L C 2.609 179.498 176.870 0.031 0.000 1.083 1121 L CA 1.769 56.488 54.840 -0.203 0.000 0.752 1121 L CB -0.438 41.342 42.059 -0.465 0.000 0.899 1121 L HN 0.367 nan 8.230 nan 0.000 0.433 1122 K N -0.516 119.846 120.400 -0.063 0.000 2.062 1122 K HA -0.107 4.219 4.320 0.011 0.000 0.205 1122 K C 2.060 178.577 176.600 -0.139 0.000 1.051 1122 K CA 1.272 57.469 56.287 -0.150 0.000 0.941 1122 K CB -0.207 32.034 32.500 -0.431 0.000 0.719 1122 K HN 0.056 nan 8.250 nan 0.000 0.440 1123 F N 1.197 121.048 119.950 -0.165 0.000 2.216 1123 F HA -0.184 4.350 4.527 0.011 0.000 0.300 1123 F C 2.422 178.213 175.800 -0.016 0.000 1.085 1123 F CA 1.174 59.109 58.000 -0.107 0.000 1.326 1123 F CB -0.312 38.605 39.000 -0.137 0.000 1.027 1123 F HN 0.054 nan 8.300 nan 0.000 0.497 1124 A N 0.022 122.952 122.820 0.183 0.000 1.898 1124 A HA -0.158 4.168 4.320 0.011 0.000 0.216 1124 A C 2.310 179.996 177.584 0.169 0.000 1.181 1124 A CA 1.361 53.508 52.037 0.183 0.000 0.620 1124 A CB -0.547 18.574 19.000 0.202 0.000 0.819 1124 A HN 0.267 nan 8.150 nan 0.000 0.442 1125 R N -0.674 119.911 120.500 0.143 0.000 2.075 1125 R HA -0.056 4.291 4.340 0.011 0.000 0.232 1125 R C 2.476 178.780 176.300 0.006 0.000 1.126 1125 R CA 1.152 57.282 56.100 0.050 0.000 0.963 1125 R CB -0.405 29.911 30.300 0.027 0.000 0.858 1125 R HN 0.514 nan 8.270 nan 0.000 0.435 1126 A N 0.474 123.288 122.820 -0.009 0.000 1.930 1126 A HA -0.202 4.125 4.320 0.011 0.000 0.217 1126 A C 2.012 179.612 177.584 0.026 0.000 1.175 1126 A CA 1.317 53.333 52.037 -0.034 0.000 0.627 1126 A CB -0.728 18.203 19.000 -0.114 0.000 0.815 1126 A HN 0.395 nan 8.150 nan 0.000 0.443 1127 H N 0.185 119.252 119.070 -0.004 0.000 2.333 1127 H HA -0.107 4.456 4.556 0.011 0.000 0.302 1127 H C 2.251 177.578 175.328 -0.001 0.000 1.075 1127 H CA 2.200 58.256 56.048 0.013 0.000 1.348 1127 H CB 0.061 29.849 29.762 0.045 0.000 1.393 1127 H HN 0.579 nan 8.280 nan 0.000 0.509 1128 T N -3.049 111.497 114.554 -0.014 0.000 3.054 1128 T HA 0.155 4.512 4.350 0.011 0.000 0.259 1128 T C 1.665 176.310 174.700 -0.091 0.000 1.092 1128 T CA 0.987 63.040 62.100 -0.080 0.000 1.121 1128 T CB -0.139 68.738 68.868 0.015 0.000 0.912 1128 T HN 0.539 nan 8.240 nan 0.000 0.489 1129 G N 1.745 110.503 108.800 -0.071 0.000 2.155 1129 G HA2 -0.261 3.706 3.960 0.011 0.000 0.257 1129 G HA3 -0.261 3.706 3.960 0.011 0.000 0.257 1129 G C 0.137 174.991 174.900 -0.077 0.000 0.983 1129 G CA 0.245 45.301 45.100 -0.074 0.000 0.676 1129 G HN 0.735 nan 8.290 nan 0.000 0.528 1130 R N -1.098 119.353 120.500 -0.081 0.000 2.782 1130 R HA 0.737 5.084 4.340 0.011 0.000 0.258 1130 R C 0.731 176.926 176.300 -0.174 0.000 1.055 1130 R CA -0.928 55.107 56.100 -0.109 0.000 1.065 1130 R CB 0.781 31.025 30.300 -0.093 0.000 1.172 1130 R HN -0.013 nan 8.270 nan 0.000 0.510 1131 K N 0.636 120.896 120.400 -0.233 0.000 2.403 1131 K HA 0.096 4.422 4.320 0.011 0.000 0.199 1131 K C 0.282 176.504 176.600 -0.630 0.000 1.199 1131 K CA 0.207 56.271 56.287 -0.371 0.000 0.924 1131 K CB 0.187 32.539 32.500 -0.246 0.000 1.137 1131 K HN 0.326 nan 8.250 nan 0.000 0.510 1132 K N 1.050 121.202 120.400 -0.414 0.000 2.448 1132 K HA 0.109 4.436 4.320 0.011 0.000 0.278 1132 K C -1.009 175.362 176.600 -0.382 0.000 1.009 1132 K CA 0.177 56.243 56.287 -0.368 0.000 0.995 1132 K CB 0.224 32.624 32.500 -0.166 0.000 0.917 1132 K HN -0.187 nan 8.250 nan 0.000 0.481 1133 F N 3.034 122.942 119.950 -0.070 0.000 2.508 1133 F HA 0.385 4.919 4.527 0.011 0.000 0.325 1133 F C -0.317 175.408 175.800 -0.126 0.000 1.090 1133 F CA -1.347 56.599 58.000 -0.088 0.000 0.945 1133 F CB 2.035 40.977 39.000 -0.098 0.000 1.156 1133 F HN 0.069 nan 8.300 nan 0.000 0.463 1134 V N 2.722 122.696 119.914 0.101 0.000 2.448 1134 V HA 0.822 4.948 4.120 0.011 0.000 0.295 1134 V C -0.311 175.770 176.094 -0.022 0.000 1.025 1134 V CA -0.498 61.800 62.300 -0.003 0.000 0.859 1134 V CB 1.284 33.119 31.823 0.020 0.000 0.988 1134 V HN 0.907 nan 8.190 nan 0.000 0.431 1135 A N 3.775 126.534 122.820 -0.102 0.000 2.486 1135 A HA 1.030 5.356 4.320 0.011 0.000 0.289 1135 A C -0.340 177.369 177.584 0.209 0.000 1.176 1135 A CA -0.365 51.680 52.037 0.013 0.000 0.757 1135 A CB 1.769 20.727 19.000 -0.070 0.000 1.337 1135 A HN 1.270 nan 8.150 nan 0.000 0.423 1136 A N 0.357 123.376 122.820 0.332 0.000 2.312 1136 A HA 0.673 5.000 4.320 0.011 0.000 0.328 1136 A C 0.143 177.887 177.584 0.266 0.000 1.158 1136 A CA -0.515 51.723 52.037 0.335 0.000 0.821 1136 A CB 0.204 19.465 19.000 0.435 0.000 1.170 1136 A HN 0.837 nan 8.150 nan 0.000 0.490 1137 M N 1.474 121.033 119.600 -0.067 0.000 2.249 1137 M HA 0.131 4.618 4.480 0.011 0.000 0.340 1137 M C 0.914 176.923 176.300 -0.484 0.000 1.166 1137 M CA 0.892 55.740 55.300 -0.754 0.000 1.115 1137 M CB 0.187 32.102 32.600 -1.142 0.000 1.606 1137 M HN 0.901 nan 8.290 nan 0.000 0.448 1138 R N -0.512 119.688 120.500 -0.499 0.000 3.922 1138 R HA -0.135 4.212 4.340 0.011 0.000 0.447 1138 R C 0.346 176.691 176.300 0.075 0.000 1.035 1138 R CA 0.502 56.569 56.100 -0.056 0.000 1.289 1138 R CB -2.538 27.659 30.300 -0.172 0.000 1.906 1138 R HN 0.962 nan 8.270 nan 0.000 0.540 1139 G N 0.819 109.712 108.800 0.155 0.000 2.483 1139 G HA2 0.380 4.347 3.960 0.011 0.000 0.248 1139 G HA3 0.380 4.347 3.960 0.011 0.000 0.248 1139 G C -0.857 174.243 174.900 0.334 0.000 1.248 1139 G CA -0.174 45.048 45.100 0.205 0.000 0.838 1139 G HN 0.112 nan 8.290 nan 0.000 0.566 1140 F N 1.307 121.340 119.950 0.138 0.000 2.536 1140 F HA 0.515 5.048 4.527 0.010 0.000 0.322 1140 F C 0.683 176.561 175.800 0.131 0.000 1.144 1140 F CA -0.766 57.330 58.000 0.160 0.000 0.924 1140 F CB 2.409 41.496 39.000 0.146 0.000 1.181 1140 F HN 0.349 nan 8.300 nan 0.000 0.438 1141 S N 2.657 118.026 115.700 -0.552 0.000 2.589 1141 S HA 0.623 5.100 4.470 0.011 0.000 0.235 1141 S C 0.232 174.527 174.600 -0.507 0.000 1.051 1141 S CA 0.132 58.114 58.200 -0.364 0.000 0.978 1141 S CB 0.757 63.851 63.200 -0.177 0.000 0.929 1141 S HN 1.173 nan 8.310 nan 0.000 0.523 1142 G N 0.777 108.996 108.800 -0.969 0.000 2.353 1142 G HA2 0.185 4.152 3.960 0.011 0.000 0.308 1142 G HA3 0.185 4.152 3.960 0.011 0.000 0.308 1142 G C -0.770 173.923 174.900 -0.345 0.000 1.418 1142 G CA -0.834 43.956 45.100 -0.518 0.000 0.966 1142 G HN -0.078 nan 8.290 nan 0.000 0.638 1143 R N -0.508 119.918 120.500 -0.124 0.000 2.265 1143 R HA 0.153 4.500 4.340 0.011 0.000 0.194 1143 R C 1.541 177.771 176.300 -0.117 0.000 0.931 1143 R CA 1.034 57.074 56.100 -0.099 0.000 1.032 1143 R CB -0.134 30.132 30.300 -0.058 0.000 0.980 1143 R HN 0.847 nan 8.270 nan 0.000 0.497 1144 T N -1.252 113.254 114.554 -0.079 0.000 2.898 1144 T HA 0.155 4.512 4.350 0.011 0.000 0.301 1144 T C 1.660 176.320 174.700 -0.066 0.000 1.049 1144 T CA -0.352 61.709 62.100 -0.065 0.000 1.095 1144 T CB 1.049 69.906 68.868 -0.019 0.000 0.976 1144 T HN -0.088 nan 8.240 nan 0.000 0.539 1145 M N 1.571 121.139 119.600 -0.054 0.000 2.195 1145 M HA -0.075 4.412 4.480 0.011 0.000 0.260 1145 M C 2.573 178.873 176.300 0.000 0.000 1.066 1145 M CA 2.057 57.343 55.300 -0.023 0.000 1.089 1145 M CB -1.008 31.590 32.600 -0.004 0.000 1.377 1145 M HN 0.965 nan 8.290 nan 0.000 0.411 1146 G N -0.539 108.256 108.800 -0.008 0.000 2.434 1146 G HA2 -0.154 3.813 3.960 0.011 0.000 0.214 1146 G HA3 -0.154 3.813 3.960 0.011 0.000 0.214 1146 G C 1.571 176.438 174.900 -0.055 0.000 1.202 1146 G CA 0.918 46.010 45.100 -0.012 0.000 0.788 1146 G HN 0.432 nan 8.290 nan 0.000 0.539 1147 S N 0.387 116.039 115.700 -0.079 0.000 2.399 1147 S HA -0.103 4.374 4.470 0.011 0.000 0.231 1147 S C 2.131 176.671 174.600 -0.100 0.000 1.022 1147 S CA 1.030 59.158 58.200 -0.120 0.000 0.983 1147 S CB -0.244 62.873 63.200 -0.138 0.000 0.803 1147 S HN 0.221 nan 8.310 nan 0.000 0.480 1148 L N 1.766 122.953 121.223 -0.060 0.000 2.201 1148 L HA 0.028 4.375 4.340 0.011 0.000 0.212 1148 L C 2.067 178.991 176.870 0.091 0.000 1.105 1148 L CA 1.362 56.202 54.840 0.000 0.000 0.775 1148 L CB -0.812 41.247 42.059 -0.000 0.000 0.913 1148 L HN 0.118 nan 8.230 nan 0.000 0.440 1149 S N -0.872 114.877 115.700 0.081 0.000 2.399 1149 S HA -0.111 4.366 4.470 0.011 0.000 0.231 1149 S C 1.571 176.282 174.600 0.185 0.000 1.022 1149 S CA 1.405 59.688 58.200 0.138 0.000 0.983 1149 S CB -0.372 62.900 63.200 0.120 0.000 0.803 1149 S HN 0.497 nan 8.310 nan 0.000 0.480 1150 V N -1.193 118.784 119.914 0.105 0.000 3.444 1150 V HA 0.308 4.435 4.120 0.011 0.000 0.308 1150 V C 0.227 176.525 176.094 0.341 0.000 1.371 1150 V CA -0.251 62.099 62.300 0.083 0.000 1.141 1150 V CB -0.413 31.352 31.823 -0.096 0.000 1.037 1150 V HN 0.095 nan 8.190 nan 0.000 0.433 1151 T N 1.495 116.253 114.554 0.341 0.000 2.767 1151 T HA 0.179 4.536 4.350 0.011 0.000 0.288 1151 T C 0.349 175.272 174.700 0.371 0.000 0.963 1151 T CA -0.241 62.045 62.100 0.311 0.000 1.019 1151 T CB 1.227 70.158 68.868 0.104 0.000 0.923 1151 T HN 0.632 nan 8.240 nan 0.000 0.468 1152 W N 3.088 124.448 121.300 0.100 0.000 2.380 1152 W HA -0.031 4.637 4.660 0.012 0.000 0.317 1152 W C 0.739 177.119 176.519 -0.231 0.000 1.196 1152 W CA 0.591 57.743 57.345 -0.322 0.000 1.307 1152 W CB -0.071 29.209 29.460 -0.300 0.000 1.157 1152 W HN 0.598 nan 8.180 nan 0.000 0.483 1153 E N 1.705 121.760 120.200 -0.242 0.000 3.306 1153 E HA -0.163 4.193 4.350 0.011 0.000 0.230 1153 E C -1.858 174.436 176.600 -0.510 0.000 0.992 1153 E CA 0.055 56.170 56.400 -0.475 0.000 0.938 1153 E CB 0.476 29.721 29.700 -0.758 0.000 0.904 1153 E HN 0.001 nan 8.360 nan 0.000 0.568 1154 P HA -0.244 nan 4.420 nan 0.000 0.216 1154 P C 0.554 177.728 177.300 -0.211 0.000 1.157 1154 P CA 1.732 64.558 63.100 -0.456 0.000 0.880 1154 P CB 0.171 31.609 31.700 -0.436 0.000 0.791 1155 K N -1.772 118.526 120.400 -0.170 0.000 2.280 1155 K HA -0.144 4.183 4.320 0.011 0.000 0.202 1155 K C 2.147 178.878 176.600 0.217 0.000 1.047 1155 K CA 1.165 57.444 56.287 -0.013 0.000 0.942 1155 K CB -0.381 32.118 32.500 -0.003 0.000 0.739 1155 K HN 0.376 nan 8.250 nan 0.000 0.457 1156 Y N -0.353 119.970 120.300 0.039 0.000 2.420 1156 Y HA -0.040 4.518 4.550 0.013 0.000 0.292 1156 Y C 2.305 178.349 175.900 0.241 0.000 1.119 1156 Y CA 0.102 58.296 58.100 0.158 0.000 1.229 1156 Y CB 0.277 38.833 38.460 0.158 0.000 1.026 1156 Y HN 0.041 nan 8.280 nan 0.000 0.554 1157 R N -0.288 120.368 120.500 0.260 0.000 2.087 1157 R HA -0.078 4.269 4.340 0.011 0.000 0.213 1157 R C 2.132 178.507 176.300 0.125 0.000 1.137 1157 R CA 0.277 56.511 56.100 0.224 0.000 1.022 1157 R CB -0.256 30.093 30.300 0.082 0.000 0.920 1157 R HN 0.090 nan 8.270 nan 0.000 0.451 1158 E N 1.464 121.651 120.200 -0.021 0.000 2.149 1158 E HA -0.212 4.145 4.350 0.011 0.000 0.215 1158 E C -0.919 175.555 176.600 -0.209 0.000 1.055 1158 E CA 2.034 58.373 56.400 -0.102 0.000 0.870 1158 E CB -1.006 28.622 29.700 -0.120 0.000 0.764 1158 E HN 0.177 nan 8.360 nan 0.000 0.463 1159 P HA -0.077 nan 4.420 nan 0.000 0.225 1159 P C 0.384 177.156 177.300 -0.880 0.000 1.148 1159 P CA 1.012 63.654 63.100 -0.762 0.000 0.779 1159 P CB -0.194 30.828 31.700 -1.130 0.000 0.780 1160 F N -2.186 117.770 119.950 0.009 0.000 2.683 1160 F HA 0.245 4.778 4.527 0.011 0.000 0.306 1160 F C 0.862 176.671 175.800 0.015 0.000 1.102 1160 F CA -0.708 57.299 58.000 0.012 0.000 1.244 1160 F CB -0.639 38.371 39.000 0.017 0.000 1.029 1160 F HN -0.267 nan 8.300 nan 0.000 0.545 1161 L N 3.395 124.668 121.223 0.083 0.000 2.467 1161 L HA 0.197 4.544 4.340 0.011 0.000 0.270 1161 L C -1.550 175.354 176.870 0.057 0.000 1.205 1161 L CA -1.628 53.254 54.840 0.069 0.000 0.828 1161 L CB -0.034 42.040 42.059 0.026 0.000 1.101 1161 L HN -0.029 nan 8.230 nan 0.000 0.479 1162 P HA 0.434 nan 4.420 nan 0.000 0.284 1162 P C -0.690 176.658 177.300 0.080 0.000 1.258 1162 P CA -0.540 62.597 63.100 0.062 0.000 0.824 1162 P CB 1.819 33.546 31.700 0.045 0.000 1.038 1163 L N 0.365 121.641 121.223 0.088 0.000 2.755 1163 L HA 0.457 4.803 4.340 0.011 0.000 0.243 1163 L C 0.243 177.162 176.870 0.080 0.000 1.579 1163 L CA -1.437 53.458 54.840 0.092 0.000 1.669 1163 L CB 0.158 42.285 42.059 0.113 0.000 2.294 1163 L HN 0.032 nan 8.230 nan 0.000 0.588 1164 V N 0.590 120.559 119.914 0.091 0.000 2.508 1164 V HA 0.125 4.252 4.120 0.011 0.000 0.281 1164 V C -0.228 175.923 176.094 0.095 0.000 1.041 1164 V CA -0.105 62.251 62.300 0.094 0.000 1.016 1164 V CB 0.727 32.630 31.823 0.133 0.000 0.984 1164 V HN 0.544 nan 8.190 nan 0.000 0.478 1165 E N 6.051 126.280 120.200 0.048 0.000 2.263 1165 E HA 0.586 4.942 4.350 0.011 0.000 0.264 1165 E C -2.527 174.040 176.600 -0.056 0.000 0.923 1165 E CA -1.740 54.671 56.400 0.018 0.000 0.802 1165 E CB 2.132 31.841 29.700 0.015 0.000 1.228 1165 E HN 0.543 nan 8.360 nan 0.000 0.417 1166 P HA 0.352 nan 4.420 nan 0.000 0.296 1166 P C -1.169 176.105 177.300 -0.043 0.000 1.310 1166 P CA -0.563 62.508 63.100 -0.048 0.000 0.900 1166 P CB 1.454 33.119 31.700 -0.058 0.000 1.111 1167 V N 1.755 121.671 119.914 0.004 0.000 2.709 1167 V HA 0.426 4.553 4.120 0.011 0.000 0.308 1167 V C -0.113 175.938 176.094 -0.071 0.000 1.062 1167 V CA -0.551 61.726 62.300 -0.040 0.000 0.901 1167 V CB 2.043 33.824 31.823 -0.071 0.000 1.003 1167 V HN 0.666 nan 8.190 nan 0.000 0.425 1168 E N 2.869 122.990 120.200 -0.131 0.000 2.210 1168 E HA 0.617 4.973 4.350 0.011 0.000 0.266 1168 E C -1.859 174.670 176.600 -0.118 0.000 0.883 1168 E CA -0.539 55.843 56.400 -0.031 0.000 0.761 1168 E CB 1.577 31.290 29.700 0.022 0.000 1.156 1168 E HN 0.493 nan 8.360 nan 0.000 0.412 1169 F N 4.336 124.388 119.950 0.170 0.000 2.450 1169 F HA 0.468 5.001 4.527 0.011 0.000 0.332 1169 F C 0.295 176.136 175.800 0.069 0.000 1.093 1169 F CA -0.770 57.323 58.000 0.156 0.000 1.003 1169 F CB 1.164 40.324 39.000 0.266 0.000 1.151 1169 F HN 0.377 nan 8.300 nan 0.000 0.474 1170 I N 0.190 120.893 120.570 0.222 0.000 2.846 1170 I HA 0.703 4.880 4.170 0.011 0.000 0.307 1170 I C -2.983 173.162 176.117 0.048 0.000 1.053 1170 I CA -3.036 58.336 61.300 0.120 0.000 1.050 1170 I CB 2.041 40.123 38.000 0.137 0.000 1.239 1170 I HN 0.217 nan 8.210 nan 0.000 0.439 1171 P HA 0.068 nan 4.420 nan 0.000 0.271 1171 P C -1.203 176.039 177.300 -0.096 0.000 1.216 1171 P CA 0.219 63.261 63.100 -0.097 0.000 0.771 1171 P CB 0.159 31.798 31.700 -0.103 0.000 0.864 1172 Y N 3.890 124.029 120.300 -0.268 0.000 2.597 1172 Y HA -0.083 4.474 4.550 0.012 0.000 0.336 1172 Y C 1.416 176.864 175.900 -0.754 0.000 1.216 1172 Y CA 1.058 58.904 58.100 -0.424 0.000 1.463 1172 Y CB -0.137 38.167 38.460 -0.260 0.000 1.303 1172 Y HN 0.508 nan 8.280 nan 0.000 0.576 1173 N N 1.333 118.705 118.700 -2.214 0.000 2.900 1173 N HA -0.279 4.467 4.740 0.011 0.000 0.240 1173 N C -0.951 174.036 175.510 -0.871 0.000 0.953 1173 N CA 1.372 53.311 53.050 -1.851 0.000 0.950 1173 N CB -1.203 36.787 38.487 -0.827 0.000 1.102 1173 N HN 0.698 nan 8.380 nan 0.000 0.593 1174 D N 1.361 121.403 120.400 -0.596 0.000 2.453 1174 D HA 0.261 4.908 4.640 0.011 0.000 0.223 1174 D C 1.398 177.755 176.300 0.095 0.000 1.183 1174 D CA -0.164 53.748 54.000 -0.146 0.000 0.933 1174 D CB 0.659 41.409 40.800 -0.084 0.000 1.038 1174 D HN -0.081 nan 8.370 nan 0.000 0.513 1175 V N 4.044 124.043 119.914 0.141 0.000 2.287 1175 V HA -0.276 3.850 4.120 0.011 0.000 0.248 1175 V C 2.751 178.906 176.094 0.102 0.000 1.053 1175 V CA 2.688 65.100 62.300 0.188 0.000 1.027 1175 V CB -0.819 31.076 31.823 0.122 0.000 0.646 1175 V HN 0.707 nan 8.190 nan 0.000 0.447 1176 E N -0.052 120.185 120.200 0.061 0.000 2.106 1176 E HA -0.165 4.192 4.350 0.011 0.000 0.192 1176 E C 2.209 178.836 176.600 0.045 0.000 0.984 1176 E CA 1.674 58.098 56.400 0.040 0.000 0.806 1176 E CB -0.833 28.882 29.700 0.025 0.000 0.750 1176 E HN 0.712 nan 8.360 nan 0.000 0.458 1177 A N 0.168 123.021 122.820 0.054 0.000 1.902 1177 A HA 0.104 4.430 4.320 0.011 0.000 0.217 1177 A C 2.433 180.062 177.584 0.075 0.000 1.181 1177 A CA 1.686 53.758 52.037 0.057 0.000 0.623 1177 A CB -0.416 18.615 19.000 0.052 0.000 0.818 1177 A HN 0.558 nan 8.150 nan 0.000 0.443 1178 L N -0.009 121.281 121.223 0.112 0.000 2.093 1178 L HA -0.065 4.282 4.340 0.011 0.000 0.208 1178 L C 2.742 179.633 176.870 0.035 0.000 1.085 1178 L CA 2.870 57.766 54.840 0.093 0.000 0.755 1178 L CB -0.804 41.324 42.059 0.114 0.000 0.904 1178 L HN 0.406 nan 8.230 nan 0.000 0.435 1179 K N -0.105 120.314 120.400 0.031 0.000 2.057 1179 K HA -0.085 4.242 4.320 0.011 0.000 0.207 1179 K C 2.342 178.949 176.600 0.012 0.000 1.049 1179 K CA 1.937 58.231 56.287 0.011 0.000 0.931 1179 K CB -1.534 30.974 32.500 0.013 0.000 0.714 1179 K HN 0.543 nan 8.250 nan 0.000 0.440 1180 R N 0.201 120.713 120.500 0.021 0.000 2.193 1180 R HA 0.509 4.855 4.340 0.011 0.000 0.213 1180 R C 2.631 178.942 176.300 0.018 0.000 1.055 1180 R CA 1.517 57.627 56.100 0.018 0.000 0.995 1180 R CB -1.013 29.300 30.300 0.021 0.000 0.893 1180 R HN 0.737 nan 8.270 nan 0.000 0.459 1181 A N 0.195 123.030 122.820 0.024 0.000 1.975 1181 A HA 0.310 4.636 4.320 0.011 0.000 0.215 1181 A C 1.033 178.624 177.584 0.010 0.000 1.170 1181 A CA 0.739 52.790 52.037 0.024 0.000 0.656 1181 A CB 0.062 19.085 19.000 0.039 0.000 0.821 1181 A HN 0.279 nan 8.150 nan 0.000 0.449 1182 V N 2.750 122.666 119.914 0.004 0.000 2.455 1182 V HA 0.383 4.509 4.120 0.011 0.000 0.273 1182 V C -0.453 175.636 176.094 -0.009 0.000 1.045 1182 V CA -0.113 62.184 62.300 -0.006 0.000 0.976 1182 V CB 0.387 32.201 31.823 -0.016 0.000 0.993 1182 V HN 0.719 nan 8.190 nan 0.000 0.475 1183 D N 2.856 123.249 120.400 -0.013 0.000 2.781 1183 D HA 0.326 4.973 4.640 0.011 0.000 0.295 1183 D C 0.421 176.709 176.300 -0.020 0.000 1.143 1183 D CA -0.822 53.169 54.000 -0.015 0.000 1.076 1183 D CB 0.834 41.625 40.800 -0.015 0.000 1.444 1183 D HN 0.096 nan 8.370 nan 0.000 0.567 1184 E N -0.769 119.417 120.200 -0.022 0.000 2.515 1184 E HA -0.019 4.338 4.350 0.011 0.000 0.201 1184 E C 0.409 176.988 176.600 -0.035 0.000 1.071 1184 E CA 0.743 57.128 56.400 -0.026 0.000 0.880 1184 E CB -0.048 29.637 29.700 -0.025 0.000 0.828 1184 E HN 0.494 nan 8.360 nan 0.000 0.540 1185 E N -0.914 119.262 120.200 -0.039 0.000 2.501 1185 E HA 0.091 4.447 4.350 0.011 0.000 0.201 1185 E C -0.373 176.185 176.600 -0.070 0.000 1.016 1185 E CA 0.025 56.392 56.400 -0.055 0.000 0.920 1185 E CB 0.796 30.464 29.700 -0.054 0.000 1.023 1185 E HN -0.044 nan 8.360 nan 0.000 0.474 1186 T N 0.872 115.396 114.554 -0.050 0.000 2.749 1186 T HA 0.280 4.637 4.350 0.011 0.000 0.295 1186 T C 0.973 175.655 174.700 -0.030 0.000 0.936 1186 T CA -0.170 61.903 62.100 -0.045 0.000 1.060 1186 T CB 1.535 70.393 68.868 -0.016 0.000 0.904 1186 T HN 0.105 nan 8.240 nan 0.000 0.500 1187 A N 3.231 126.021 122.820 -0.051 0.000 1.898 1187 A HA 0.611 4.937 4.320 0.011 0.000 0.214 1187 A C 1.172 178.829 177.584 0.123 0.000 1.183 1187 A CA 0.842 52.887 52.037 0.013 0.000 0.622 1187 A CB -0.081 18.883 19.000 -0.061 0.000 0.824 1187 A HN 1.006 nan 8.150 nan 0.000 0.444 1188 A N -2.263 120.678 122.820 0.202 0.000 2.608 1188 A HA 0.566 4.892 4.320 0.011 0.000 0.292 1188 A C -1.415 176.249 177.584 0.134 0.000 1.066 1188 A CA -0.332 51.806 52.037 0.168 0.000 0.676 1188 A CB 0.774 19.878 19.000 0.174 0.000 1.277 1188 A HN 0.494 nan 8.150 nan 0.000 0.413 1189 V N 1.788 121.727 119.914 0.043 0.000 2.417 1189 V HA 0.559 4.685 4.120 0.011 0.000 0.291 1189 V C -0.435 175.650 176.094 -0.015 0.000 1.024 1189 V CA -0.315 61.991 62.300 0.009 0.000 0.861 1189 V CB 1.423 33.225 31.823 -0.035 0.000 0.985 1189 V HN 0.752 nan 8.190 nan 0.000 0.436 1190 I N 6.514 127.077 120.570 -0.012 0.000 2.406 1190 I HA 0.666 4.842 4.170 0.011 0.000 0.290 1190 I C -1.356 174.789 176.117 0.047 0.000 0.999 1190 I CA -0.394 60.895 61.300 -0.019 0.000 1.124 1190 I CB 1.068 39.022 38.000 -0.077 0.000 1.289 1190 I HN 0.533 nan 8.210 nan 0.000 0.441 1191 L N 6.333 127.594 121.223 0.064 0.000 2.424 1191 L HA 0.505 4.852 4.340 0.011 0.000 0.258 1191 L C -0.959 176.005 176.870 0.157 0.000 0.995 1191 L CA -0.777 54.157 54.840 0.156 0.000 0.821 1191 L CB 2.430 44.585 42.059 0.160 0.000 1.383 1191 L HN 0.514 nan 8.230 nan 0.000 0.410 1192 E N 1.950 122.279 120.200 0.216 0.000 2.216 1192 E HA 0.245 4.602 4.350 0.011 0.000 0.279 1192 E C -1.898 174.852 176.600 0.249 0.000 0.997 1192 E CA -1.595 54.919 56.400 0.190 0.000 0.817 1192 E CB 1.676 31.461 29.700 0.142 0.000 1.096 1192 E HN 0.305 nan 8.360 nan 0.000 0.393 1193 P HA -0.058 nan 4.420 nan 0.000 0.223 1193 P C -0.538 176.921 177.300 0.266 0.000 1.151 1193 P CA 0.708 63.901 63.100 0.155 0.000 0.787 1193 P CB 0.433 32.273 31.700 0.234 0.000 0.788 1194 V N -0.121 119.947 119.914 0.257 0.000 2.610 1194 V HA 0.146 4.272 4.120 0.011 0.000 0.298 1194 V C -0.408 175.745 176.094 0.099 0.000 1.067 1194 V CA -0.837 61.594 62.300 0.219 0.000 0.894 1194 V CB 1.893 33.835 31.823 0.198 0.000 1.015 1194 V HN -0.129 nan 8.190 nan 0.000 0.432 1195 Q N 2.350 122.118 119.800 -0.052 0.000 2.286 1195 Q HA 0.310 4.657 4.340 0.011 0.000 0.267 1195 Q C 1.143 177.126 176.000 -0.028 0.000 1.028 1195 Q CA 0.533 56.258 55.803 -0.131 0.000 0.901 1195 Q CB 1.756 30.263 28.738 -0.385 0.000 1.183 1195 Q HN 0.952 nan 8.270 nan 0.000 0.392 1196 G N 2.608 111.421 108.800 0.023 0.000 2.610 1196 G HA2 -0.170 3.797 3.960 0.011 0.000 0.215 1196 G HA3 -0.170 3.797 3.960 0.011 0.000 0.215 1196 G C 0.914 175.798 174.900 -0.026 0.000 1.243 1196 G CA 0.005 45.117 45.100 0.021 0.000 0.847 1196 G HN 0.526 nan 8.290 nan 0.000 0.560 1197 E N 1.151 121.320 120.200 -0.052 0.000 2.209 1197 E HA -0.080 4.277 4.350 0.011 0.000 0.196 1197 E C 2.499 179.064 176.600 -0.059 0.000 0.993 1197 E CA 0.923 57.252 56.400 -0.119 0.000 0.819 1197 E CB -0.769 28.767 29.700 -0.273 0.000 0.745 1197 E HN 0.378 nan 8.360 nan 0.000 0.477 1198 G N 0.118 108.899 108.800 -0.032 0.000 2.776 1198 G HA2 0.084 4.051 3.960 0.011 0.000 0.209 1198 G HA3 0.084 4.051 3.960 0.011 0.000 0.209 1198 G C 1.024 175.888 174.900 -0.061 0.000 1.145 1198 G CA 0.574 45.643 45.100 -0.051 0.000 0.791 1198 G HN 0.436 nan 8.290 nan 0.000 0.530 1199 G N -1.453 107.319 108.800 -0.048 0.000 2.151 1199 G HA2 0.013 3.979 3.960 0.011 0.000 0.140 1199 G HA3 0.013 3.979 3.960 0.011 0.000 0.140 1199 G C 0.397 175.289 174.900 -0.013 0.000 1.020 1199 G CA -0.102 44.978 45.100 -0.032 0.000 0.688 1199 G HN 1.310 nan 8.290 nan 0.000 0.500 1200 V N -0.808 119.103 119.914 -0.006 0.000 5.999 1200 V HA -0.222 3.905 4.120 0.011 0.000 0.275 1200 V C 0.536 176.651 176.094 0.035 0.000 0.606 1200 V CA 1.834 64.150 62.300 0.028 0.000 0.836 1200 V CB -1.562 30.290 31.823 0.048 0.000 0.869 1200 V HN 0.867 nan 8.190 nan 0.000 0.497 1201 R N 2.263 122.777 120.500 0.023 0.000 2.371 1201 R HA 0.505 4.852 4.340 0.011 0.000 0.312 1201 R C -2.774 173.636 176.300 0.183 0.000 0.980 1201 R CA -1.838 54.302 56.100 0.067 0.000 0.867 1201 R CB 2.003 32.307 30.300 0.007 0.000 1.163 1201 R HN 0.273 nan 8.270 nan 0.000 0.492 1202 P HA 0.015 nan 4.420 nan 0.000 0.271 1202 P C -0.510 177.016 177.300 0.376 0.000 1.218 1202 P CA -0.027 63.259 63.100 0.310 0.000 0.780 1202 P CB 0.880 32.733 31.700 0.255 0.000 0.901 1203 A N 2.354 125.383 122.820 0.348 0.000 2.332 1203 A HA 0.520 4.847 4.320 0.011 0.000 0.258 1203 A C 0.455 178.135 177.584 0.159 0.000 1.087 1203 A CA -0.041 52.021 52.037 0.042 0.000 0.802 1203 A CB -0.335 18.567 19.000 -0.165 0.000 1.042 1203 A HN 0.600 nan 8.150 nan 0.000 0.489 1204 T N -1.072 113.526 114.554 0.074 0.000 2.922 1204 T HA 0.477 4.833 4.350 0.011 0.000 0.285 1204 T C -2.178 172.688 174.700 0.276 0.000 1.005 1204 T CA -1.537 60.684 62.100 0.203 0.000 1.061 1204 T CB 1.162 70.086 68.868 0.093 0.000 1.007 1204 T HN 0.287 nan 8.240 nan 0.000 0.502 1205 P HA -0.056 nan 4.420 nan 0.000 0.217 1205 P C 1.101 178.513 177.300 0.186 0.000 1.150 1205 P CA 0.956 64.287 63.100 0.386 0.000 0.832 1205 P CB 0.065 31.922 31.700 0.261 0.000 0.787 1206 E N -1.490 118.794 120.200 0.140 0.000 2.106 1206 E HA -0.167 4.190 4.350 0.011 0.000 0.192 1206 E C 1.704 178.361 176.600 0.096 0.000 0.984 1206 E CA 0.864 57.321 56.400 0.094 0.000 0.806 1206 E CB -1.180 28.569 29.700 0.082 0.000 0.750 1206 E HN 0.230 nan 8.360 nan 0.000 0.458 1207 F N 0.938 120.840 119.950 -0.080 0.000 2.084 1207 F HA -0.059 4.474 4.527 0.011 0.000 0.296 1207 F C 1.740 177.450 175.800 -0.149 0.000 1.111 1207 F CA 1.281 59.194 58.000 -0.145 0.000 1.224 1207 F CB -0.242 38.603 39.000 -0.258 0.000 0.991 1207 F HN -0.057 nan 8.300 nan 0.000 0.471 1208 L N 0.030 121.114 121.223 -0.231 0.000 2.093 1208 L HA -0.184 4.163 4.340 0.011 0.000 0.208 1208 L C 2.980 179.728 176.870 -0.204 0.000 1.085 1208 L CA 1.411 56.050 54.840 -0.334 0.000 0.755 1208 L CB -1.136 40.724 42.059 -0.331 0.000 0.904 1208 L HN 0.173 nan 8.230 nan 0.000 0.435 1209 R N 0.430 120.877 120.500 -0.088 0.000 2.081 1209 R HA -0.066 4.281 4.340 0.011 0.000 0.235 1209 R C 2.311 178.558 176.300 -0.088 0.000 1.131 1209 R CA 1.599 57.670 56.100 -0.049 0.000 0.960 1209 R CB -1.580 28.723 30.300 0.005 0.000 0.856 1209 R HN 0.480 nan 8.270 nan 0.000 0.436 1210 A N 0.712 123.466 122.820 -0.110 0.000 1.933 1210 A HA 0.263 4.590 4.320 0.011 0.000 0.218 1210 A C 2.816 180.293 177.584 -0.178 0.000 1.175 1210 A CA 1.829 53.799 52.037 -0.113 0.000 0.628 1210 A CB -0.792 18.163 19.000 -0.077 0.000 0.814 1210 A HN 0.946 nan 8.150 nan 0.000 0.444 1211 A N -0.114 122.520 122.820 -0.310 0.000 1.902 1211 A HA -0.144 4.182 4.320 0.011 0.000 0.217 1211 A C 2.182 179.652 177.584 -0.190 0.000 1.181 1211 A CA 2.106 53.953 52.037 -0.317 0.000 0.623 1211 A CB -0.418 18.292 19.000 -0.483 0.000 0.818 1211 A HN 0.475 nan 8.150 nan 0.000 0.443 1212 R N -0.154 120.249 120.500 -0.161 0.000 2.075 1212 R HA -0.053 4.294 4.340 0.011 0.000 0.232 1212 R C 2.198 178.447 176.300 -0.084 0.000 1.126 1212 R CA 2.382 58.414 56.100 -0.112 0.000 0.963 1212 R CB -0.958 29.287 30.300 -0.091 0.000 0.858 1212 R HN 0.487 nan 8.270 nan 0.000 0.435 1213 E N 0.642 120.796 120.200 -0.077 0.000 2.028 1213 E HA -0.123 4.234 4.350 0.011 0.000 0.191 1213 E C 1.884 178.453 176.600 -0.052 0.000 0.988 1213 E CA 1.467 57.834 56.400 -0.055 0.000 0.799 1213 E CB -0.909 28.764 29.700 -0.045 0.000 0.755 1213 E HN 0.387 nan 8.360 nan 0.000 0.447 1214 I N 1.758 122.291 120.570 -0.062 0.000 2.286 1214 I HA -0.201 3.976 4.170 0.011 0.000 0.248 1214 I C 2.775 178.865 176.117 -0.045 0.000 1.115 1214 I CA 2.558 63.828 61.300 -0.050 0.000 1.392 1214 I CB -0.384 37.583 38.000 -0.054 0.000 1.065 1214 I HN 0.492 nan 8.210 nan 0.000 0.418 1215 T N -2.029 112.491 114.554 -0.057 0.000 2.708 1215 T HA -0.248 4.109 4.350 0.011 0.000 0.266 1215 T C 1.888 176.570 174.700 -0.030 0.000 1.037 1215 T CA 1.537 63.611 62.100 -0.043 0.000 1.146 1215 T CB -0.731 68.105 68.868 -0.054 0.000 0.865 1215 T HN 0.458 nan 8.240 nan 0.000 0.435 1216 Q N 0.925 120.703 119.800 -0.036 0.000 2.124 1216 Q HA -0.109 4.238 4.340 0.011 0.000 0.202 1216 Q C 2.465 178.453 176.000 -0.019 0.000 0.977 1216 Q CA 1.660 57.447 55.803 -0.026 0.000 0.850 1216 Q CB -0.170 28.548 28.738 -0.033 0.000 0.901 1216 Q HN 0.718 nan 8.270 nan 0.000 0.429 1217 E N -0.022 120.165 120.200 -0.023 0.000 2.208 1217 E HA -0.108 4.249 4.350 0.011 0.000 0.193 1217 E C 1.285 177.876 176.600 -0.016 0.000 0.988 1217 E CA 0.630 57.019 56.400 -0.018 0.000 0.828 1217 E CB 0.272 29.960 29.700 -0.020 0.000 0.763 1217 E HN 0.074 nan 8.360 nan 0.000 0.478 1218 K N -0.648 119.742 120.400 -0.016 0.000 2.358 1218 K HA 0.139 4.466 4.320 0.011 0.000 0.197 1218 K C 0.916 177.509 176.600 -0.011 0.000 1.025 1218 K CA 0.604 56.882 56.287 -0.015 0.000 1.104 1218 K CB 1.265 33.755 32.500 -0.016 0.000 0.855 1218 K HN 0.226 nan 8.250 nan 0.000 0.531 1219 G N 1.346 110.143 108.800 -0.005 0.000 2.136 1219 G HA2 -0.269 3.698 3.960 0.011 0.000 0.242 1219 G HA3 -0.269 3.698 3.960 0.011 0.000 0.242 1219 G C 0.209 175.121 174.900 0.020 0.000 0.989 1219 G CA 0.330 45.433 45.100 0.005 0.000 0.682 1219 G HN 0.523 nan 8.290 nan 0.000 0.522 1220 A N -0.512 122.316 122.820 0.014 0.000 2.294 1220 A HA 0.884 5.210 4.320 0.011 0.000 0.330 1220 A C 0.365 177.964 177.584 0.026 0.000 1.133 1220 A CA -0.611 51.441 52.037 0.024 0.000 0.836 1220 A CB 0.943 19.949 19.000 0.010 0.000 1.190 1220 A HN 0.715 nan 8.150 nan 0.000 0.492 1221 L N 0.784 122.031 121.223 0.039 0.000 2.343 1221 L HA 0.429 4.776 4.340 0.011 0.000 0.275 1221 L C -0.621 176.237 176.870 -0.020 0.000 1.056 1221 L CA -0.785 54.058 54.840 0.006 0.000 0.804 1221 L CB 1.440 43.507 42.059 0.015 0.000 1.203 1221 L HN 0.656 nan 8.230 nan 0.000 0.440 1222 L N 4.123 125.311 121.223 -0.058 0.000 2.280 1222 L HA 0.498 4.844 4.340 0.011 0.000 0.287 1222 L C -0.594 176.225 176.870 -0.085 0.000 1.023 1222 L CA 0.179 54.973 54.840 -0.076 0.000 0.819 1222 L CB 0.841 42.839 42.059 -0.102 0.000 1.212 1222 L HN 0.331 nan 8.230 nan 0.000 0.420 1223 I N 6.478 127.007 120.570 -0.068 0.000 2.330 1223 I HA 0.308 4.484 4.170 0.011 0.000 0.289 1223 I C -0.642 175.447 176.117 -0.047 0.000 1.001 1223 I CA -0.413 60.845 61.300 -0.069 0.000 1.193 1223 I CB 1.218 39.175 38.000 -0.070 0.000 1.345 1223 I HN 0.458 nan 8.210 nan 0.000 0.461 1224 L N 5.820 127.017 121.223 -0.044 0.000 2.287 1224 L HA 0.337 4.683 4.340 0.011 0.000 0.287 1224 L C -0.238 176.661 176.870 0.049 0.000 1.022 1224 L CA -0.509 54.338 54.840 0.012 0.000 0.814 1224 L CB 1.354 43.428 42.059 0.025 0.000 1.217 1224 L HN 0.533 nan 8.230 nan 0.000 0.420 1225 D N 4.275 124.722 120.400 0.079 0.000 2.380 1225 D HA 0.078 4.724 4.640 0.011 0.000 0.230 1225 D C 0.064 176.454 176.300 0.151 0.000 1.154 1225 D CA 0.028 54.088 54.000 0.099 0.000 0.859 1225 D CB 0.891 41.745 40.800 0.090 0.000 1.045 1225 D HN 0.493 nan 8.370 nan 0.000 0.495 1226 E N 3.864 124.169 120.200 0.174 0.000 2.609 1226 E HA 0.123 4.480 4.350 0.011 0.000 0.208 1226 E C 1.449 178.181 176.600 0.220 0.000 1.013 1226 E CA -0.211 56.326 56.400 0.229 0.000 1.093 1226 E CB 0.600 30.492 29.700 0.319 0.000 1.129 1226 E HN 0.607 nan 8.360 nan 0.000 0.450 1227 I N 0.582 121.263 120.570 0.184 0.000 2.361 1227 I HA -0.300 3.876 4.170 0.011 0.000 0.251 1227 I C 2.470 178.691 176.117 0.174 0.000 1.133 1227 I CA 1.380 62.787 61.300 0.178 0.000 1.413 1227 I CB 0.165 38.265 38.000 0.167 0.000 1.073 1227 I HN 0.119 nan 8.210 nan 0.000 0.424 1228 Q N 0.130 120.033 119.800 0.172 0.000 2.390 1228 Q HA -0.068 4.278 4.340 0.011 0.000 0.216 1228 Q C 2.095 178.181 176.000 0.143 0.000 0.916 1228 Q CA 1.605 57.499 55.803 0.151 0.000 0.911 1228 Q CB -0.007 28.817 28.738 0.143 0.000 1.035 1228 Q HN 0.487 nan 8.270 nan 0.000 0.541 1229 T N -2.548 112.102 114.554 0.161 0.000 3.088 1229 T HA 0.247 4.603 4.350 0.011 0.000 0.259 1229 T C 1.037 175.818 174.700 0.135 0.000 1.122 1229 T CA 0.222 62.413 62.100 0.152 0.000 1.095 1229 T CB -0.237 68.742 68.868 0.185 0.000 0.930 1229 T HN 0.237 nan 8.240 nan 0.000 0.508 1230 G N 1.044 109.955 108.800 0.184 0.000 2.588 1230 G HA2 0.430 4.397 3.960 0.011 0.000 0.278 1230 G HA3 0.430 4.397 3.960 0.011 0.000 0.278 1230 G C 0.359 175.243 174.900 -0.026 0.000 1.307 1230 G CA -0.685 44.518 45.100 0.172 0.000 1.016 1230 G HN 0.291 nan 8.290 nan 0.000 0.503 1231 M N -0.826 118.624 119.600 -0.250 0.000 2.360 1231 M HA -0.217 4.270 4.480 0.011 0.000 0.202 1231 M C 1.496 177.732 176.300 -0.106 0.000 0.390 1231 M CA 1.235 56.426 55.300 -0.181 0.000 0.470 1231 M CB -2.257 30.354 32.600 0.017 0.000 1.637 1231 M HN 2.232 nan 8.290 nan 0.000 0.885 1232 G N -0.547 108.134 108.800 -0.197 0.000 2.184 1232 G HA2 -0.418 3.549 3.960 0.011 0.000 0.264 1232 G HA3 -0.418 3.549 3.960 0.011 0.000 0.264 1232 G C 0.740 175.667 174.900 0.046 0.000 0.975 1232 G CA 1.255 46.356 45.100 0.001 0.000 0.642 1232 G HN 0.594 nan 8.290 nan 0.000 0.536 1233 R N 1.293 121.807 120.500 0.023 0.000 2.103 1233 R HA -0.095 4.252 4.340 0.011 0.000 0.242 1233 R C 2.673 179.010 176.300 0.062 0.000 1.142 1233 R CA 3.045 59.178 56.100 0.055 0.000 0.960 1233 R CB -0.930 29.410 30.300 0.068 0.000 0.858 1233 R HN 0.802 nan 8.270 nan 0.000 0.439 1234 T N -4.233 110.346 114.554 0.042 0.000 3.122 1234 T HA 0.342 4.699 4.350 0.011 0.000 0.250 1234 T C 1.170 175.880 174.700 0.015 0.000 1.067 1234 T CA 0.315 62.434 62.100 0.033 0.000 0.966 1234 T CB 0.540 69.424 68.868 0.027 0.000 1.002 1234 T HN 0.433 nan 8.240 nan 0.000 0.542 1235 G N 0.660 109.494 108.800 0.058 0.000 2.231 1235 G HA2 -0.118 3.849 3.960 0.011 0.000 0.206 1235 G HA3 -0.118 3.849 3.960 0.011 0.000 0.206 1235 G C -0.100 174.898 174.900 0.163 0.000 0.996 1235 G CA -0.298 44.864 45.100 0.104 0.000 0.645 1235 G HN 0.569 nan 8.290 nan 0.000 0.498 1236 K N -0.509 119.890 120.400 -0.001 0.000 2.444 1236 K HA 0.562 4.889 4.320 0.011 0.000 0.252 1236 K C 1.084 177.390 176.600 -0.491 0.000 0.993 1236 K CA -0.945 55.178 56.287 -0.273 0.000 0.847 1236 K CB 1.334 33.698 32.500 -0.226 0.000 1.340 1236 K HN 0.073 nan 8.250 nan 0.000 0.446 1237 R N 0.097 119.997 120.500 -1.000 0.000 2.091 1237 R HA -0.022 4.324 4.340 0.011 0.000 0.238 1237 R C 0.104 175.699 176.300 -1.174 0.000 1.136 1237 R CA 1.668 57.129 56.100 -1.066 0.000 0.959 1237 R CB 0.011 29.566 30.300 -1.242 0.000 0.856 1237 R HN 0.306 nan 8.270 nan 0.000 0.437 1238 F N -2.582 117.073 119.950 -0.491 0.000 2.578 1238 F HA 0.355 4.888 4.527 0.011 0.000 0.311 1238 F C 0.739 176.268 175.800 -0.452 0.000 1.094 1238 F CA -0.826 56.871 58.000 -0.506 0.000 0.923 1238 F CB 1.659 40.099 39.000 -0.933 0.000 1.230 1238 F HN -0.193 nan 8.300 nan 0.000 0.450 1239 A N 2.449 125.283 122.820 0.024 0.000 1.978 1239 A HA -0.198 4.129 4.320 0.011 0.000 0.220 1239 A C 1.884 179.668 177.584 0.332 0.000 1.170 1239 A CA 1.968 54.117 52.037 0.186 0.000 0.636 1239 A CB -1.110 18.097 19.000 0.345 0.000 0.810 1239 A HN 0.805 nan 8.150 nan 0.000 0.448 1240 F N 0.542 120.705 119.950 0.355 0.000 2.333 1240 F HA -0.054 4.480 4.527 0.011 0.000 0.300 1240 F C 1.575 177.515 175.800 0.233 0.000 1.083 1240 F CA 1.235 59.420 58.000 0.309 0.000 1.395 1240 F CB -0.917 38.171 39.000 0.146 0.000 1.056 1240 F HN 0.320 nan 8.300 nan 0.000 0.529 1241 E N -0.378 119.759 120.200 -0.105 0.000 2.150 1241 E HA -0.230 4.127 4.350 0.011 0.000 0.193 1241 E C 2.056 178.675 176.600 0.032 0.000 0.985 1241 E CA 1.090 57.481 56.400 -0.015 0.000 0.814 1241 E CB -0.556 29.012 29.700 -0.220 0.000 0.752 1241 E HN 0.629 nan 8.360 nan 0.000 0.466 1242 H N -0.453 118.570 119.070 -0.079 0.000 2.436 1242 H HA -0.035 4.528 4.556 0.011 0.000 0.294 1242 H C 1.191 176.350 175.328 -0.282 0.000 1.048 1242 H CA 0.938 56.852 56.048 -0.224 0.000 1.353 1242 H CB 0.138 29.666 29.762 -0.391 0.000 1.414 1242 H HN 0.159 nan 8.280 nan 0.000 0.536 1243 F N -0.011 119.976 119.950 0.061 0.000 2.776 1243 F HA 0.216 4.749 4.527 0.011 0.000 0.300 1243 F C 1.900 177.707 175.800 0.012 0.000 1.116 1243 F CA 0.624 58.640 58.000 0.027 0.000 1.375 1243 F CB 0.473 39.557 39.000 0.141 0.000 1.109 1243 F HN 0.295 nan 8.300 nan 0.000 0.585 1244 G N 2.007 110.913 108.800 0.177 0.000 2.176 1244 G HA2 -0.298 3.669 3.960 0.011 0.000 0.252 1244 G HA3 -0.298 3.669 3.960 0.011 0.000 0.252 1244 G C 0.102 175.076 174.900 0.123 0.000 1.024 1244 G CA 0.451 45.624 45.100 0.121 0.000 0.755 1244 G HN 0.509 nan 8.290 nan 0.000 0.507 1245 I N -3.458 117.213 120.570 0.170 0.000 2.892 1245 I HA 0.893 5.070 4.170 0.011 0.000 0.306 1245 I C -0.385 175.716 176.117 -0.027 0.000 1.078 1245 I CA -1.751 59.585 61.300 0.060 0.000 1.032 1245 I CB 2.502 40.520 38.000 0.030 0.000 1.229 1245 I HN -0.087 nan 8.210 nan 0.000 0.435 1246 V N 4.027 123.850 119.914 -0.151 0.000 2.483 1246 V HA 0.488 4.615 4.120 0.011 0.000 0.297 1246 V C -2.052 173.864 176.094 -0.298 0.000 1.027 1246 V CA -1.204 60.890 62.300 -0.344 0.000 0.855 1246 V CB 1.550 33.217 31.823 -0.260 0.000 0.995 1246 V HN 0.741 nan 8.190 nan 0.000 0.424 1247 P HA 0.334 nan 4.420 nan 0.000 0.279 1247 P C -0.301 176.859 177.300 -0.233 0.000 1.282 1247 P CA -0.184 62.763 63.100 -0.255 0.000 0.788 1247 P CB 1.573 33.125 31.700 -0.246 0.000 1.139 1248 D N -0.864 119.427 120.400 -0.182 0.000 2.277 1248 D HA 0.179 4.825 4.640 0.011 0.000 0.209 1248 D C 0.604 176.787 176.300 -0.194 0.000 0.970 1248 D CA 1.163 55.057 54.000 -0.177 0.000 0.874 1248 D CB 0.390 41.104 40.800 -0.143 0.000 0.982 1248 D HN 0.322 nan 8.370 nan 0.000 0.504 1249 I N 1.126 121.590 120.570 -0.178 0.000 2.534 1249 I HA 0.222 4.399 4.170 0.011 0.000 0.288 1249 I C -1.315 174.708 176.117 -0.157 0.000 1.077 1249 I CA -0.980 60.215 61.300 -0.175 0.000 1.051 1249 I CB 2.937 40.850 38.000 -0.145 0.000 1.234 1249 I HN -0.232 nan 8.210 nan 0.000 0.425 1250 L N 6.606 127.731 121.223 -0.164 0.000 2.313 1250 L HA 0.651 4.998 4.340 0.011 0.000 0.283 1250 L C -0.010 176.823 176.870 -0.062 0.000 1.013 1250 L CA 0.190 54.954 54.840 -0.126 0.000 0.816 1250 L CB 1.765 43.705 42.059 -0.199 0.000 1.236 1250 L HN 0.712 nan 8.230 nan 0.000 0.419 1251 T N 3.640 118.193 114.554 -0.002 0.000 2.824 1251 T HA 0.781 5.138 4.350 0.011 0.000 0.280 1251 T C -0.368 174.389 174.700 0.094 0.000 0.995 1251 T CA -0.673 61.453 62.100 0.042 0.000 1.009 1251 T CB 1.032 69.925 68.868 0.042 0.000 0.955 1251 T HN 0.528 nan 8.240 nan 0.000 0.452 1252 L N 1.649 122.944 121.223 0.121 0.000 2.376 1252 L HA 0.937 5.283 4.340 0.011 0.000 0.258 1252 L C 0.127 177.098 176.870 0.168 0.000 1.013 1252 L CA -1.148 53.796 54.840 0.172 0.000 0.822 1252 L CB 1.916 44.101 42.059 0.210 0.000 1.388 1252 L HN 1.054 nan 8.230 nan 0.000 0.413 1253 A N 0.355 123.278 122.820 0.172 0.000 5.767 1253 A HA 0.430 4.757 4.320 0.011 0.000 0.190 1253 A C 0.040 177.706 177.584 0.138 0.000 0.899 1253 A CA 0.052 52.177 52.037 0.147 0.000 0.816 1253 A CB 0.204 19.285 19.000 0.135 0.000 2.140 1253 A HN 0.619 nan 8.150 nan 0.000 1.042 1254 K N -1.888 118.584 120.400 0.121 0.000 4.822 1254 K HA -0.389 3.938 4.320 0.011 0.000 0.252 1254 K C 1.602 178.252 176.600 0.083 0.000 0.687 1254 K CA 2.350 58.700 56.287 0.105 0.000 0.808 1254 K CB -1.560 31.013 32.500 0.123 0.000 0.777 1254 K HN 1.544 nan 8.250 nan 0.000 0.840 1255 A N 0.863 123.736 122.820 0.089 0.000 2.206 1255 A HA 0.013 4.340 4.320 0.011 0.000 0.211 1255 A C 1.846 179.488 177.584 0.097 0.000 1.158 1255 A CA 1.124 53.204 52.037 0.072 0.000 0.761 1255 A CB -0.202 18.837 19.000 0.065 0.000 0.801 1255 A HN 0.397 nan 8.150 nan 0.000 0.473 1256 L N -0.145 121.157 121.223 0.132 0.000 2.081 1256 L HA -0.127 4.220 4.340 0.011 0.000 0.212 1256 L C 1.924 178.885 176.870 0.152 0.000 1.080 1256 L CA 2.222 57.171 54.840 0.181 0.000 0.754 1256 L CB -0.467 41.725 42.059 0.220 0.000 0.893 1256 L HN 0.298 nan 8.230 nan 0.000 0.433 1257 G N -2.462 106.384 108.800 0.076 0.000 3.502 1257 G HA2 0.357 4.324 3.960 0.011 0.000 0.267 1257 G HA3 0.357 4.324 3.960 0.011 0.000 0.267 1257 G C 1.005 175.912 174.900 0.013 0.000 1.090 1257 G CA 0.149 45.263 45.100 0.024 0.000 0.795 1257 G HN 0.750 nan 8.290 nan 0.000 0.535 1258 G N -0.588 108.228 108.800 0.027 0.000 2.258 1258 G HA2 0.148 4.115 3.960 0.011 0.000 0.274 1258 G HA3 0.148 4.115 3.960 0.011 0.000 0.274 1258 G C 1.223 176.107 174.900 -0.026 0.000 1.021 1258 G CA 1.255 46.352 45.100 -0.007 0.000 0.798 1258 G HN 1.842 nan 8.290 nan 0.000 0.507 1259 G N -3.193 105.596 108.800 -0.018 0.000 2.352 1259 G HA2 -0.001 3.966 3.960 0.011 0.000 0.204 1259 G HA3 -0.001 3.966 3.960 0.011 0.000 0.204 1259 G C 0.422 175.304 174.900 -0.031 0.000 1.004 1259 G CA 0.179 45.264 45.100 -0.024 0.000 0.648 1259 G HN 1.495 nan 8.290 nan 0.000 0.491 1260 V N 3.116 123.007 119.914 -0.038 0.000 2.614 1260 V HA 0.410 4.537 4.120 0.011 0.000 0.291 1260 V C -1.614 174.446 176.094 -0.056 0.000 1.049 1260 V CA -0.999 61.266 62.300 -0.058 0.000 1.038 1260 V CB 1.177 32.957 31.823 -0.073 0.000 0.980 1260 V HN 0.160 nan 8.190 nan 0.000 0.481 1261 P HA 0.239 nan 4.420 nan 0.000 0.261 1261 P C -0.907 176.360 177.300 -0.054 0.000 1.203 1261 P CA 0.272 63.342 63.100 -0.051 0.000 0.767 1261 P CB 0.239 31.894 31.700 -0.076 0.000 0.785 1262 L N 3.742 124.953 121.223 -0.020 0.000 2.592 1262 L HA 0.804 5.151 4.340 0.011 0.000 0.258 1262 L C -0.716 176.179 176.870 0.041 0.000 0.926 1262 L CA -0.082 54.742 54.840 -0.028 0.000 0.885 1262 L CB 1.893 43.896 42.059 -0.092 0.000 1.380 1262 L HN 0.487 nan 8.230 nan 0.000 0.415 1263 G N 2.267 111.106 108.800 0.065 0.000 2.708 1263 G HA2 0.961 4.927 3.960 0.011 0.000 0.289 1263 G HA3 0.961 4.927 3.960 0.011 0.000 0.289 1263 G C -1.775 173.217 174.900 0.153 0.000 1.416 1263 G CA 0.004 45.177 45.100 0.122 0.000 0.829 1263 G HN 1.540 nan 8.290 nan 0.000 0.480 1264 V N -1.804 118.215 119.914 0.175 0.000 3.098 1264 V HA 0.843 4.970 4.120 0.011 0.000 0.294 1264 V C -0.676 175.498 176.094 0.133 0.000 1.351 1264 V CA -0.562 61.847 62.300 0.182 0.000 0.999 1264 V CB 1.703 33.671 31.823 0.241 0.000 1.104 1264 V HN 2.011 nan 8.190 nan 0.000 0.438 1265 A N 3.034 125.930 122.820 0.126 0.000 2.273 1265 A HA 0.842 5.169 4.320 0.011 0.000 0.315 1265 A C -0.710 176.830 177.584 -0.073 0.000 1.256 1265 A CA -0.625 51.426 52.037 0.024 0.000 0.851 1265 A CB 1.136 20.151 19.000 0.024 0.000 1.172 1265 A HN 1.803 nan 8.150 nan 0.000 0.508 1266 V N 4.729 124.570 119.914 -0.122 0.000 2.435 1266 V HA 0.683 4.810 4.120 0.011 0.000 0.290 1266 V C 0.255 176.215 176.094 -0.223 0.000 1.030 1266 V CA -0.260 61.931 62.300 -0.181 0.000 0.881 1266 V CB 1.105 32.821 31.823 -0.178 0.000 0.983 1266 V HN 1.040 nan 8.190 nan 0.000 0.445 1267 M N 3.385 122.833 119.600 -0.253 0.000 2.667 1267 M HA 0.722 5.209 4.480 0.011 0.000 0.286 1267 M C -0.759 175.410 176.300 -0.218 0.000 1.270 1267 M CA -1.073 54.073 55.300 -0.257 0.000 0.826 1267 M CB 2.239 34.641 32.600 -0.331 0.000 1.743 1267 M HN 0.317 nan 8.290 nan 0.000 0.460 1268 R N 0.401 120.778 120.500 -0.206 0.000 2.641 1268 R HA 0.319 4.666 4.340 0.011 0.000 0.269 1268 R C 1.458 177.672 176.300 -0.143 0.000 1.074 1268 R CA 0.606 56.606 56.100 -0.166 0.000 1.133 1268 R CB 0.540 30.743 30.300 -0.162 0.000 1.029 1268 R HN 0.972 nan 8.270 nan 0.000 0.488 1269 E N 2.726 122.867 120.200 -0.099 0.000 2.097 1269 E HA -0.253 4.104 4.350 0.011 0.000 0.196 1269 E C 1.606 178.185 176.600 -0.035 0.000 1.000 1269 E CA 1.944 58.308 56.400 -0.060 0.000 0.804 1269 E CB -0.633 29.045 29.700 -0.037 0.000 0.740 1269 E HN 0.814 nan 8.360 nan 0.000 0.454 1270 E N 0.510 120.686 120.200 -0.039 0.000 2.150 1270 E HA -0.104 4.252 4.350 0.011 0.000 0.193 1270 E C 2.273 178.867 176.600 -0.011 0.000 0.985 1270 E CA 1.530 57.942 56.400 0.020 0.000 0.814 1270 E CB -0.540 29.197 29.700 0.062 0.000 0.752 1270 E HN 0.429 nan 8.360 nan 0.000 0.466 1271 V N 2.130 121.906 119.914 -0.230 0.000 2.307 1271 V HA -0.186 3.941 4.120 0.011 0.000 0.245 1271 V C 2.761 178.873 176.094 0.030 0.000 1.045 1271 V CA 1.880 63.969 62.300 -0.352 0.000 1.024 1271 V CB -0.887 30.708 31.823 -0.379 0.000 0.651 1271 V HN 0.434 nan 8.190 nan 0.000 0.449 1272 A N -0.023 122.804 122.820 0.012 0.000 1.902 1272 A HA -0.260 4.066 4.320 0.011 0.000 0.217 1272 A C 2.358 180.058 177.584 0.194 0.000 1.181 1272 A CA 2.063 54.180 52.037 0.134 0.000 0.623 1272 A CB -0.577 18.429 19.000 0.011 0.000 0.818 1272 A HN 0.464 nan 8.150 nan 0.000 0.443 1273 R N -0.109 120.464 120.500 0.122 0.000 2.127 1273 R HA -0.083 4.264 4.340 0.011 0.000 0.238 1273 R C 2.062 178.436 176.300 0.123 0.000 1.134 1273 R CA 1.558 57.725 56.100 0.111 0.000 0.975 1273 R CB -0.228 30.122 30.300 0.084 0.000 0.865 1273 R HN 0.493 nan 8.270 nan 0.000 0.447 1274 S N 0.004 115.808 115.700 0.173 0.000 2.481 1274 S HA -0.065 4.412 4.470 0.011 0.000 0.231 1274 S C 0.567 175.209 174.600 0.071 0.000 0.996 1274 S CA 0.241 58.525 58.200 0.141 0.000 0.942 1274 S CB -0.040 63.305 63.200 0.241 0.000 0.768 1274 S HN 0.230 nan 8.310 nan 0.000 0.520 1275 M N 3.223 122.867 119.600 0.074 0.000 2.227 1275 M HA 0.269 4.755 4.480 0.011 0.000 0.349 1275 M C -2.787 173.496 176.300 -0.028 0.000 1.443 1275 M CA -2.454 52.808 55.300 -0.064 0.000 1.110 1275 M CB -0.077 32.414 32.600 -0.182 0.000 1.773 1275 M HN -0.204 nan 8.290 nan 0.000 0.463 1276 P HA 0.069 nan 4.420 nan 0.000 0.269 1276 P C -0.909 176.388 177.300 -0.005 0.000 1.209 1276 P CA -0.107 62.980 63.100 -0.022 0.000 0.776 1276 P CB 0.385 32.064 31.700 -0.035 0.000 0.876 1277 K N 1.652 122.062 120.400 0.018 0.000 2.489 1277 K HA 0.154 4.481 4.320 0.011 0.000 0.278 1277 K C 1.476 178.093 176.600 0.027 0.000 1.000 1277 K CA 1.242 57.551 56.287 0.036 0.000 1.012 1277 K CB -0.401 32.121 32.500 0.036 0.000 0.903 1277 K HN 0.854 nan 8.250 nan 0.000 0.485 1278 G N 2.340 111.167 108.800 0.045 0.000 2.168 1278 G HA2 -0.302 3.665 3.960 0.011 0.000 0.263 1278 G HA3 -0.302 3.665 3.960 0.011 0.000 0.263 1278 G C 1.049 175.965 174.900 0.026 0.000 0.977 1278 G CA 0.712 45.837 45.100 0.041 0.000 0.659 1278 G HN 0.733 nan 8.290 nan 0.000 0.533 1279 G N -1.011 107.787 108.800 -0.003 0.000 2.471 1279 G HA2 0.279 4.246 3.960 0.011 0.000 0.219 1279 G HA3 0.279 4.246 3.960 0.011 0.000 0.219 1279 G C 0.581 175.470 174.900 -0.018 0.000 1.125 1279 G CA 1.549 46.618 45.100 -0.051 0.000 0.775 1279 G HN 1.017 nan 8.290 nan 0.000 0.548 1280 H N -2.071 116.928 119.070 -0.118 0.000 3.037 1280 H HA 0.593 5.155 4.556 0.011 0.000 0.355 1280 H C -0.101 175.309 175.328 0.138 0.000 1.263 1280 H CA -0.111 55.881 56.048 -0.093 0.000 1.129 1280 H CB 1.533 31.066 29.762 -0.382 0.000 1.861 1280 H HN 0.298 nan 8.280 nan 0.000 0.546 1281 G N -0.172 108.506 108.800 -0.204 0.000 2.495 1281 G HA2 0.489 4.456 3.960 0.011 0.000 0.294 1281 G HA3 0.489 4.456 3.960 0.011 0.000 0.294 1281 G C -1.524 173.331 174.900 -0.075 0.000 1.397 1281 G CA -0.087 45.018 45.100 0.008 0.000 0.790 1281 G HN 0.752 nan 8.290 nan 0.000 0.486 1282 T N -1.642 112.889 114.554 -0.038 0.000 3.486 1282 T HA 0.454 4.811 4.350 0.011 0.000 0.375 1282 T C 1.043 175.695 174.700 -0.081 0.000 1.459 1282 T CA 0.666 62.735 62.100 -0.052 0.000 1.151 1282 T CB 1.055 69.908 68.868 -0.024 0.000 1.336 1282 T HN 0.604 nan 8.240 nan 0.000 0.477 1283 T N 3.634 118.101 114.554 -0.145 0.000 2.643 1283 T HA 0.034 4.390 4.350 0.011 0.000 0.264 1283 T C 1.462 176.068 174.700 -0.157 0.000 1.045 1283 T CA 1.652 63.614 62.100 -0.230 0.000 1.155 1283 T CB -0.417 68.176 68.868 -0.458 0.000 0.863 1283 T HN 0.665 nan 8.240 nan 0.000 0.420 1284 F N 1.365 121.294 119.950 -0.034 0.000 2.456 1284 F HA 0.223 4.754 4.527 0.006 0.000 0.298 1284 F C 1.910 177.668 175.800 -0.069 0.000 1.104 1284 F CA -0.526 57.448 58.000 -0.044 0.000 1.435 1284 F CB -0.324 38.657 39.000 -0.032 0.000 1.078 1284 F HN 0.153 nan 8.300 nan 0.000 0.546 1285 G N 0.223 109.072 108.800 0.082 0.000 2.202 1285 G HA2 0.304 4.271 3.960 0.011 0.000 0.251 1285 G HA3 0.304 4.271 3.960 0.011 0.000 0.251 1285 G C 1.043 175.901 174.900 -0.071 0.000 1.219 1285 G CA 0.318 45.394 45.100 -0.040 0.000 0.943 1285 G HN 0.605 nan 8.290 nan 0.000 0.465 1286 G N 1.864 110.622 108.800 -0.069 0.000 2.157 1286 G HA2 -0.293 3.674 3.960 0.011 0.000 0.248 1286 G HA3 -0.293 3.674 3.960 0.011 0.000 0.248 1286 G C 0.449 175.310 174.900 -0.065 0.000 0.979 1286 G CA 0.291 45.353 45.100 -0.063 0.000 0.650 1286 G HN 1.509 nan 8.290 nan 0.000 0.529 1287 N N 0.726 119.405 118.700 -0.036 0.000 2.454 1287 N HA 0.396 5.143 4.740 0.011 0.000 0.254 1287 N C -0.461 175.010 175.510 -0.065 0.000 1.228 1287 N CA -0.660 52.378 53.050 -0.019 0.000 0.900 1287 N CB 0.945 39.452 38.487 0.033 0.000 1.089 1287 N HN 0.146 nan 8.380 nan 0.000 0.449 1288 P HA -0.224 nan 4.420 nan 0.000 0.217 1288 P C 1.304 178.563 177.300 -0.067 0.000 1.148 1288 P CA 0.799 63.864 63.100 -0.059 0.000 0.828 1288 P CB 0.166 31.843 31.700 -0.038 0.000 0.783 1289 L N 0.297 121.480 121.223 -0.068 0.000 2.005 1289 L HA -0.038 4.309 4.340 0.011 0.000 0.207 1289 L C 2.619 179.428 176.870 -0.101 0.000 1.072 1289 L CA 2.188 56.984 54.840 -0.074 0.000 0.744 1289 L CB -1.548 40.465 42.059 -0.077 0.000 0.895 1289 L HN -0.086 nan 8.230 nan 0.000 0.433 1290 A N -1.005 121.736 122.820 -0.133 0.000 1.930 1290 A HA -0.176 4.150 4.320 0.011 0.000 0.217 1290 A C 2.181 179.598 177.584 -0.278 0.000 1.175 1290 A CA 1.856 53.783 52.037 -0.183 0.000 0.627 1290 A CB -0.490 18.397 19.000 -0.188 0.000 0.815 1290 A HN 0.473 nan 8.150 nan 0.000 0.443 1291 M N -0.337 119.101 119.600 -0.271 0.000 2.086 1291 M HA -0.104 4.382 4.480 0.011 0.000 0.261 1291 M C 2.534 178.759 176.300 -0.125 0.000 1.067 1291 M CA 1.633 56.741 55.300 -0.319 0.000 1.116 1291 M CB -1.566 30.941 32.600 -0.156 0.000 1.348 1291 M HN 0.476 nan 8.290 nan 0.000 0.407 1292 A N 0.294 123.074 122.820 -0.067 0.000 1.902 1292 A HA -0.009 4.318 4.320 0.011 0.000 0.217 1292 A C 2.444 180.029 177.584 0.002 0.000 1.181 1292 A CA 2.177 54.208 52.037 -0.009 0.000 0.623 1292 A CB -0.901 18.089 19.000 -0.017 0.000 0.818 1292 A HN 0.484 nan 8.150 nan 0.000 0.443 1293 A N -0.523 122.273 122.820 -0.040 0.000 1.898 1293 A HA 0.150 4.477 4.320 0.011 0.000 0.216 1293 A C 2.414 180.011 177.584 0.021 0.000 1.181 1293 A CA 1.871 53.895 52.037 -0.022 0.000 0.620 1293 A CB -1.366 17.602 19.000 -0.053 0.000 0.819 1293 A HN 0.718 nan 8.150 nan 0.000 0.442 1294 G N -0.483 108.304 108.800 -0.021 0.000 2.418 1294 G HA2 -0.121 3.846 3.960 0.011 0.000 0.217 1294 G HA3 -0.121 3.846 3.960 0.011 0.000 0.217 1294 G C 1.517 176.636 174.900 0.364 0.000 1.158 1294 G CA 1.257 46.445 45.100 0.148 0.000 0.771 1294 G HN 0.308 nan 8.290 nan 0.000 0.545 1295 V N 1.595 121.713 119.914 0.340 0.000 2.295 1295 V HA -0.159 3.967 4.120 0.011 0.000 0.246 1295 V C 3.343 179.548 176.094 0.185 0.000 1.049 1295 V CA 2.128 64.595 62.300 0.279 0.000 1.024 1295 V CB -0.924 31.023 31.823 0.207 0.000 0.648 1295 V HN 0.481 nan 8.190 nan 0.000 0.447 1296 A N -0.125 122.778 122.820 0.138 0.000 1.902 1296 A HA -0.119 4.208 4.320 0.011 0.000 0.217 1296 A C 2.425 180.099 177.584 0.149 0.000 1.181 1296 A CA 2.146 54.253 52.037 0.117 0.000 0.623 1296 A CB -0.801 18.241 19.000 0.069 0.000 0.818 1296 A HN 0.578 nan 8.150 nan 0.000 0.443 1297 A N -0.037 122.870 122.820 0.145 0.000 1.877 1297 A HA -0.092 4.235 4.320 0.011 0.000 0.216 1297 A C 2.137 179.851 177.584 0.216 0.000 1.186 1297 A CA 1.584 53.719 52.037 0.163 0.000 0.620 1297 A CB -0.609 18.473 19.000 0.137 0.000 0.822 1297 A HN 0.498 nan 8.150 nan 0.000 0.443 1298 I N -1.091 119.605 120.570 0.210 0.000 2.252 1298 I HA -0.245 3.932 4.170 0.011 0.000 0.245 1298 I C 2.773 178.990 176.117 0.167 0.000 1.102 1298 I CA 1.293 62.705 61.300 0.186 0.000 1.385 1298 I CB -0.340 37.764 38.000 0.173 0.000 1.064 1298 I HN 0.277 nan 8.210 nan 0.000 0.414 1299 R N -0.300 120.297 120.500 0.161 0.000 2.096 1299 R HA -0.229 4.118 4.340 0.011 0.000 0.235 1299 R C 2.370 178.750 176.300 0.133 0.000 1.127 1299 R CA 1.779 57.958 56.100 0.131 0.000 0.968 1299 R CB -0.508 29.864 30.300 0.120 0.000 0.861 1299 R HN 0.364 nan 8.270 nan 0.000 0.440 1300 Y N 1.080 121.416 120.300 0.060 0.000 2.200 1300 Y HA -0.191 4.366 4.550 0.012 0.000 0.290 1300 Y C 2.046 177.973 175.900 0.045 0.000 1.137 1300 Y CA 1.258 59.382 58.100 0.040 0.000 1.163 1300 Y CB -0.232 38.247 38.460 0.032 0.000 0.988 1300 Y HN -0.013 nan 8.280 nan 0.000 0.518 1301 L N 0.562 121.868 121.223 0.138 0.000 2.012 1301 L HA -0.191 4.156 4.340 0.011 0.000 0.210 1301 L C 2.231 179.163 176.870 0.103 0.000 1.073 1301 L CA 2.021 56.927 54.840 0.109 0.000 0.748 1301 L CB -0.747 41.434 42.059 0.203 0.000 0.891 1301 L HN 0.192 nan 8.230 nan 0.000 0.431 1302 E N -0.274 120.010 120.200 0.141 0.000 2.047 1302 E HA -0.262 4.095 4.350 0.011 0.000 0.191 1302 E C 2.360 178.963 176.600 0.005 0.000 0.987 1302 E CA 1.332 57.840 56.400 0.180 0.000 0.799 1302 E CB -0.300 29.485 29.700 0.142 0.000 0.752 1302 E HN 0.504 nan 8.360 nan 0.000 0.449 1303 R N 0.611 121.064 120.500 -0.078 0.000 2.091 1303 R HA -0.119 4.228 4.340 0.011 0.000 0.238 1303 R C 2.275 178.426 176.300 -0.249 0.000 1.136 1303 R CA 2.105 58.123 56.100 -0.137 0.000 0.959 1303 R CB -0.249 29.977 30.300 -0.123 0.000 0.856 1303 R HN 0.223 nan 8.270 nan 0.000 0.437 1304 T N -2.363 111.951 114.554 -0.401 0.000 3.081 1304 T HA 0.117 4.474 4.350 0.011 0.000 0.255 1304 T C 0.524 174.917 174.700 -0.512 0.000 1.113 1304 T CA 0.134 61.960 62.100 -0.458 0.000 1.082 1304 T CB -0.142 68.336 68.868 -0.649 0.000 0.939 1304 T HN 0.365 nan 8.240 nan 0.000 0.506 1305 R N -0.133 119.983 120.500 -0.641 0.000 3.405 1305 R HA -0.143 4.204 4.340 0.011 0.000 0.258 1305 R C 0.701 176.266 176.300 -1.226 0.000 1.030 1305 R CA 0.333 55.578 56.100 -1.425 0.000 0.691 1305 R CB -2.144 27.490 30.300 -1.110 0.000 1.093 1305 R HN 0.287 nan 8.270 nan 0.000 0.448 1306 L N 0.237 121.094 121.223 -0.610 0.000 2.189 1306 L HA -0.176 4.171 4.340 0.011 0.000 0.214 1306 L C 2.154 178.914 176.870 -0.183 0.000 1.097 1306 L CA 2.327 56.990 54.840 -0.294 0.000 0.764 1306 L CB -0.350 41.664 42.059 -0.075 0.000 0.900 1306 L HN 0.592 nan 8.230 nan 0.000 0.436 1307 W N -0.859 120.389 121.300 -0.087 0.000 2.392 1307 W HA -0.111 4.556 4.660 0.011 0.000 0.279 1307 W C 1.803 178.285 176.519 -0.061 0.000 1.225 1307 W CA 0.892 58.188 57.345 -0.082 0.000 1.233 1307 W CB -1.022 28.370 29.460 -0.113 0.000 1.122 1307 W HN 0.163 nan 8.180 nan 0.000 0.561 1308 E N 0.829 120.741 120.200 -0.480 0.000 2.153 1308 E HA -0.210 4.146 4.350 0.011 0.000 0.194 1308 E C 2.177 178.691 176.600 -0.143 0.000 0.988 1308 E CA 1.324 57.562 56.400 -0.269 0.000 0.811 1308 E CB -0.326 29.132 29.700 -0.403 0.000 0.746 1308 E HN 0.381 nan 8.360 nan 0.000 0.466 1309 R N 0.844 121.246 120.500 -0.164 0.000 2.075 1309 R HA -0.097 4.250 4.340 0.011 0.000 0.232 1309 R C 2.218 178.497 176.300 -0.036 0.000 1.126 1309 R CA 1.330 57.368 56.100 -0.102 0.000 0.963 1309 R CB -0.146 30.089 30.300 -0.108 0.000 0.858 1309 R HN 0.134 nan 8.270 nan 0.000 0.435 1310 A N 0.262 123.084 122.820 0.003 0.000 1.968 1310 A HA 0.009 4.335 4.320 0.011 0.000 0.217 1310 A C 2.245 179.865 177.584 0.060 0.000 1.169 1310 A CA 1.350 53.414 52.037 0.045 0.000 0.638 1310 A CB -0.578 18.464 19.000 0.070 0.000 0.812 1310 A HN 0.499 nan 8.150 nan 0.000 0.446 1311 A N -0.327 122.528 122.820 0.057 0.000 2.015 1311 A HA -0.111 4.215 4.320 0.011 0.000 0.219 1311 A C 1.992 179.608 177.584 0.053 0.000 1.163 1311 A CA 1.679 53.753 52.037 0.061 0.000 0.646 1311 A CB -0.306 18.740 19.000 0.078 0.000 0.806 1311 A HN 0.708 nan 8.150 nan 0.000 0.448 1312 E N -0.233 119.986 120.200 0.032 0.000 2.045 1312 E HA 0.004 4.361 4.350 0.011 0.000 0.190 1312 E C 1.859 178.511 176.600 0.086 0.000 0.968 1312 E CA 0.380 56.800 56.400 0.033 0.000 0.813 1312 E CB -0.184 29.500 29.700 -0.026 0.000 0.780 1312 E HN 0.521 nan 8.360 nan 0.000 0.455 1313 L N 0.800 122.061 121.223 0.064 0.000 2.141 1313 L HA -0.008 4.339 4.340 0.011 0.000 0.209 1313 L C 2.575 179.609 176.870 0.274 0.000 1.094 1313 L CA 0.916 55.841 54.840 0.142 0.000 0.763 1313 L CB -0.582 41.497 42.059 0.033 0.000 0.908 1313 L HN 0.323 nan 8.230 nan 0.000 0.437 1314 G N 1.055 109.969 108.800 0.189 0.000 2.511 1314 G HA2 -0.211 3.756 3.960 0.011 0.000 0.216 1314 G HA3 -0.211 3.756 3.960 0.011 0.000 0.216 1314 G C -0.692 174.331 174.900 0.205 0.000 1.218 1314 G CA 0.813 46.038 45.100 0.208 0.000 0.788 1314 G HN 0.300 nan 8.290 nan 0.000 0.560 1315 P HA -0.138 nan 4.420 nan 0.000 0.215 1315 P C 1.343 178.719 177.300 0.128 0.000 1.153 1315 P CA 1.189 64.353 63.100 0.108 0.000 0.853 1315 P CB -0.112 31.646 31.700 0.096 0.000 0.788 1316 W N -0.204 121.121 121.300 0.042 0.000 2.333 1316 W HA -0.234 4.432 4.660 0.011 0.000 0.316 1316 W C 2.092 178.658 176.519 0.078 0.000 1.215 1316 W CA 1.286 58.658 57.345 0.044 0.000 1.278 1316 W CB -1.183 28.302 29.460 0.041 0.000 1.154 1316 W HN -0.146 nan 8.180 nan 0.000 0.486 1317 F N 0.945 120.917 119.950 0.036 0.000 2.102 1317 F HA -0.222 4.311 4.527 0.011 0.000 0.298 1317 F C 2.273 177.890 175.800 -0.304 0.000 1.105 1317 F CA 2.387 60.255 58.000 -0.220 0.000 1.239 1317 F CB -0.899 38.114 39.000 0.021 0.000 0.991 1317 F HN -0.129 nan 8.300 nan 0.000 0.474 1318 M N -0.135 119.296 119.600 -0.283 0.000 2.159 1318 M HA -0.199 4.288 4.480 0.011 0.000 0.263 1318 M C 2.024 178.119 176.300 -0.341 0.000 1.063 1318 M CA 1.822 56.897 55.300 -0.376 0.000 1.110 1318 M CB -0.597 31.905 32.600 -0.163 0.000 1.374 1318 M HN 0.189 nan 8.290 nan 0.000 0.411 1319 E N 0.739 120.766 120.200 -0.287 0.000 2.077 1319 E HA -0.178 4.178 4.350 0.011 0.000 0.193 1319 E C 2.433 178.821 176.600 -0.354 0.000 0.989 1319 E CA 1.686 57.925 56.400 -0.267 0.000 0.800 1319 E CB -0.231 29.338 29.700 -0.218 0.000 0.746 1319 E HN 0.555 nan 8.360 nan 0.000 0.452 1320 K N 1.296 121.378 120.400 -0.531 0.000 2.057 1320 K HA -0.100 4.226 4.320 0.011 0.000 0.207 1320 K C 1.954 178.315 176.600 -0.399 0.000 1.049 1320 K CA 1.317 57.292 56.287 -0.520 0.000 0.931 1320 K CB -1.116 30.933 32.500 -0.750 0.000 0.714 1320 K HN 0.055 nan 8.250 nan 0.000 0.440 1321 L N -0.032 120.902 121.223 -0.482 0.000 2.083 1321 L HA -0.141 4.206 4.340 0.011 0.000 0.209 1321 L C 2.958 179.665 176.870 -0.271 0.000 1.083 1321 L CA 1.277 55.870 54.840 -0.412 0.000 0.752 1321 L CB -0.254 41.463 42.059 -0.570 0.000 0.899 1321 L HN 0.354 nan 8.230 nan 0.000 0.433 1322 R N 0.007 120.356 120.500 -0.251 0.000 2.120 1322 R HA -0.085 4.261 4.340 0.011 0.000 0.234 1322 R C 2.155 178.367 176.300 -0.147 0.000 1.123 1322 R CA 1.221 57.217 56.100 -0.173 0.000 0.975 1322 R CB -0.375 29.835 30.300 -0.150 0.000 0.866 1322 R HN 0.315 nan 8.270 nan 0.000 0.446 1323 A N 1.036 123.756 122.820 -0.165 0.000 2.235 1323 A HA 0.080 4.407 4.320 0.011 0.000 0.208 1323 A C 0.935 178.448 177.584 -0.118 0.000 1.172 1323 A CA 0.029 51.987 52.037 -0.132 0.000 0.786 1323 A CB -0.205 18.711 19.000 -0.140 0.000 0.804 1323 A HN 0.111 nan 8.150 nan 0.000 0.479 1324 I N 2.178 122.669 120.570 -0.132 0.000 2.587 1324 I HA 0.054 4.231 4.170 0.011 0.000 0.284 1324 I C -1.607 174.458 176.117 -0.087 0.000 1.134 1324 I CA -1.314 59.920 61.300 -0.110 0.000 1.410 1324 I CB 0.933 38.860 38.000 -0.122 0.000 1.392 1324 I HN 0.149 nan 8.210 nan 0.000 0.545 1325 P HA 0.023 nan 4.420 nan 0.000 0.235 1325 P C -0.452 176.817 177.300 -0.053 0.000 1.765 1325 P CA 0.040 63.108 63.100 -0.055 0.000 1.034 1325 P CB 0.154 31.829 31.700 -0.042 0.000 1.984 1326 S N 2.770 118.432 115.700 -0.065 0.000 2.605 1326 S HA 0.458 4.935 4.470 0.011 0.000 0.308 1326 S C -1.721 172.841 174.600 -0.064 0.000 1.113 1326 S CA -1.703 56.457 58.200 -0.067 0.000 1.049 1326 S CB 1.374 64.518 63.200 -0.093 0.000 1.001 1326 S HN 0.078 nan 8.310 nan 0.000 0.480 1327 P HA 0.103 nan 4.420 nan 0.000 0.247 1327 P C 0.269 177.542 177.300 -0.046 0.000 1.225 1327 P CA 0.296 63.372 63.100 -0.040 0.000 0.768 1327 P CB 0.049 31.733 31.700 -0.026 0.000 1.020 1328 K N -0.433 119.926 120.400 -0.069 0.000 2.379 1328 K HA 0.199 4.525 4.320 0.011 0.000 0.194 1328 K C 0.914 177.458 176.600 -0.094 0.000 1.031 1328 K CA 0.030 56.266 56.287 -0.084 0.000 1.037 1328 K CB 0.228 32.642 32.500 -0.143 0.000 0.824 1328 K HN 0.235 nan 8.250 nan 0.000 0.516 1329 I N 1.627 122.143 120.570 -0.090 0.000 2.371 1329 I HA 0.090 4.267 4.170 0.011 0.000 0.290 1329 I C 1.462 177.544 176.117 -0.060 0.000 1.028 1329 I CA -0.113 61.137 61.300 -0.083 0.000 1.345 1329 I CB 1.155 39.099 38.000 -0.093 0.000 1.407 1329 I HN 0.061 nan 8.210 nan 0.000 0.501 1330 R N 4.958 125.429 120.500 -0.049 0.000 2.087 1330 R HA 0.200 4.546 4.340 0.011 0.000 0.216 1330 R C 0.338 176.617 176.300 -0.036 0.000 1.114 1330 R CA 0.665 56.744 56.100 -0.036 0.000 1.002 1330 R CB 0.585 30.870 30.300 -0.025 0.000 0.903 1330 R HN 0.773 nan 8.270 nan 0.000 0.445 1331 E N -0.672 119.505 120.200 -0.038 0.000 2.388 1331 E HA 0.221 4.578 4.350 0.011 0.000 0.281 1331 E C -1.950 174.625 176.600 -0.041 0.000 1.046 1331 E CA -0.758 55.620 56.400 -0.037 0.000 0.825 1331 E CB 2.147 31.833 29.700 -0.023 0.000 1.243 1331 E HN -0.039 nan 8.360 nan 0.000 0.438 1332 V N 3.358 123.240 119.914 -0.053 0.000 2.487 1332 V HA 0.664 4.790 4.120 0.011 0.000 0.298 1332 V C -0.223 175.848 176.094 -0.037 0.000 1.028 1332 V CA -0.493 61.770 62.300 -0.062 0.000 0.860 1332 V CB 1.343 33.087 31.823 -0.131 0.000 0.991 1332 V HN 0.729 nan 8.190 nan 0.000 0.427 1333 R N 3.051 123.547 120.500 -0.007 0.000 2.810 1333 R HA 0.987 5.334 4.340 0.011 0.000 0.266 1333 R C -0.009 176.314 176.300 0.040 0.000 1.061 1333 R CA -0.339 55.769 56.100 0.014 0.000 0.943 1333 R CB 2.013 32.327 30.300 0.024 0.000 1.237 1333 R HN 1.243 nan 8.270 nan 0.000 0.459 1334 G N -0.163 108.667 108.800 0.051 0.000 2.316 1334 G HA2 0.164 4.131 3.960 0.011 0.000 0.349 1334 G HA3 0.164 4.131 3.960 0.011 0.000 0.349 1334 G C -1.429 173.505 174.900 0.057 0.000 1.274 1334 G CA -0.654 44.489 45.100 0.071 0.000 1.018 1334 G HN 0.509 nan 8.290 nan 0.000 0.486 1335 M N 0.563 120.200 119.600 0.062 0.000 2.378 1335 M HA 0.532 5.019 4.480 0.011 0.000 0.289 1335 M C 0.860 177.188 176.300 0.047 0.000 1.136 1335 M CA 0.446 55.759 55.300 0.022 0.000 0.917 1335 M CB 1.862 34.455 32.600 -0.012 0.000 1.669 1335 M HN 2.573 nan 8.290 nan 0.000 0.461 1336 G N 2.183 111.008 108.800 0.041 0.000 2.611 1336 G HA2 -0.284 3.683 3.960 0.011 0.000 0.301 1336 G HA3 -0.284 3.683 3.960 0.011 0.000 0.301 1336 G C 0.027 174.993 174.900 0.110 0.000 1.233 1336 G CA 0.036 45.178 45.100 0.070 0.000 0.993 1336 G HN 0.690 nan 8.290 nan 0.000 0.553 1337 L N 0.520 121.810 121.223 0.110 0.000 2.851 1337 L HA 0.455 4.802 4.340 0.011 0.000 0.237 1337 L C 1.101 178.066 176.870 0.159 0.000 1.257 1337 L CA -0.014 54.909 54.840 0.139 0.000 1.061 1337 L CB 0.076 42.189 42.059 0.089 0.000 1.372 1337 L HN 0.499 nan 8.230 nan 0.000 0.493 1338 M N 1.440 121.129 119.600 0.149 0.000 2.208 1338 M HA 0.394 4.881 4.480 0.011 0.000 0.352 1338 M C -1.448 174.955 176.300 0.172 0.000 1.137 1338 M CA -0.297 55.093 55.300 0.151 0.000 1.091 1338 M CB 0.767 33.438 32.600 0.119 0.000 1.309 1338 M HN -0.150 nan 8.290 nan 0.000 0.408 1339 V N 3.166 123.228 119.914 0.247 0.000 2.628 1339 V HA 0.871 4.997 4.120 0.011 0.000 0.306 1339 V C 0.303 176.565 176.094 0.279 0.000 1.045 1339 V CA -0.744 61.717 62.300 0.268 0.000 0.905 1339 V CB 1.941 33.978 31.823 0.356 0.000 0.997 1339 V HN 0.858 nan 8.190 nan 0.000 0.436 1340 G N 3.022 111.929 108.800 0.178 0.000 2.609 1340 G HA2 0.610 4.577 3.960 0.011 0.000 0.308 1340 G HA3 0.610 4.577 3.960 0.011 0.000 0.308 1340 G C -1.680 173.283 174.900 0.104 0.000 1.369 1340 G CA -0.507 44.667 45.100 0.123 0.000 0.958 1340 G HN 0.587 nan 8.290 nan 0.000 0.499 1341 L N 1.602 122.896 121.223 0.118 0.000 2.295 1341 L HA 0.591 4.938 4.340 0.011 0.000 0.281 1341 L C 0.007 176.889 176.870 0.020 0.000 1.018 1341 L CA -0.848 54.040 54.840 0.080 0.000 0.841 1341 L CB 1.325 43.496 42.059 0.187 0.000 1.218 1341 L HN 0.584 nan 8.230 nan 0.000 0.424 1342 E N 4.700 124.898 120.200 -0.002 0.000 2.227 1342 E HA 0.489 4.846 4.350 0.011 0.000 0.282 1342 E C -1.170 175.415 176.600 -0.025 0.000 1.015 1342 E CA -0.540 55.854 56.400 -0.011 0.000 0.823 1342 E CB 0.913 30.607 29.700 -0.010 0.000 1.081 1342 E HN 0.718 nan 8.360 nan 0.000 0.396 1343 L N 3.687 124.896 121.223 -0.023 0.000 2.331 1343 L HA 0.388 4.735 4.340 0.011 0.000 0.268 1343 L C 0.878 177.738 176.870 -0.017 0.000 1.015 1343 L CA -0.828 53.988 54.840 -0.039 0.000 0.807 1343 L CB 1.088 43.115 42.059 -0.053 0.000 1.293 1343 L HN 0.559 nan 8.230 nan 0.000 0.451 1344 K N 0.348 120.736 120.400 -0.019 0.000 2.476 1344 K HA 0.062 4.389 4.320 0.011 0.000 0.196 1344 K C -0.246 176.365 176.600 0.019 0.000 1.025 1344 K CA 0.111 56.396 56.287 -0.003 0.000 1.138 1344 K CB 0.144 32.639 32.500 -0.009 0.000 0.860 1344 K HN 0.579 nan 8.250 nan 0.000 0.515 1345 E N -1.452 118.771 120.200 0.039 0.000 2.456 1345 E HA 0.373 4.729 4.350 0.011 0.000 0.278 1345 E C -1.107 175.552 176.600 0.099 0.000 1.034 1345 E CA -1.166 55.278 56.400 0.073 0.000 0.846 1345 E CB 0.433 30.200 29.700 0.111 0.000 1.460 1345 E HN -0.143 nan 8.360 nan 0.000 0.463 1346 K N 0.091 120.550 120.400 0.098 0.000 2.484 1346 K HA 0.380 4.706 4.320 0.011 0.000 0.280 1346 K C 0.707 177.404 176.600 0.163 0.000 1.013 1346 K CA 0.695 57.034 56.287 0.087 0.000 1.029 1346 K CB 0.062 32.587 32.500 0.042 0.000 0.902 1346 K HN 0.601 nan 8.250 nan 0.000 0.481 1347 A N 2.029 124.930 122.820 0.134 0.000 2.081 1347 A HA 0.370 4.697 4.320 0.011 0.000 0.214 1347 A C 2.605 180.273 177.584 0.140 0.000 1.158 1347 A CA 1.445 53.600 52.037 0.197 0.000 0.724 1347 A CB -0.449 18.609 19.000 0.097 0.000 0.826 1347 A HN 1.473 nan 8.150 nan 0.000 0.463 1348 A N 1.226 124.077 122.820 0.051 0.000 1.896 1348 A HA -0.163 4.164 4.320 0.011 0.000 0.220 1348 A C 0.246 177.806 177.584 -0.041 0.000 1.206 1348 A CA 2.276 54.317 52.037 0.006 0.000 0.647 1348 A CB -1.855 17.137 19.000 -0.013 0.000 0.828 1348 A HN 0.444 nan 8.150 nan 0.000 0.455 1349 P HA -0.152 nan 4.420 nan 0.000 0.216 1349 P C 0.897 178.035 177.300 -0.270 0.000 1.150 1349 P CA 1.327 64.268 63.100 -0.265 0.000 0.837 1349 P CB -0.203 31.227 31.700 -0.450 0.000 0.786 1350 Y N -1.357 118.957 120.300 0.024 0.000 2.314 1350 Y HA -0.050 4.507 4.550 0.011 0.000 0.293 1350 Y C 2.308 178.238 175.900 0.050 0.000 1.129 1350 Y CA 0.533 58.657 58.100 0.039 0.000 1.201 1350 Y CB -0.845 37.634 38.460 0.032 0.000 0.999 1350 Y HN -0.114 nan 8.280 nan 0.000 0.541 1351 I N -0.384 120.279 120.570 0.157 0.000 2.315 1351 I HA -0.289 3.888 4.170 0.011 0.000 0.248 1351 I C 2.576 178.754 176.117 0.103 0.000 1.117 1351 I CA 1.048 62.417 61.300 0.116 0.000 1.404 1351 I CB -0.519 37.528 38.000 0.077 0.000 1.071 1351 I HN 0.212 nan 8.210 nan 0.000 0.419 1352 A N 1.015 123.861 122.820 0.043 0.000 1.902 1352 A HA -0.190 4.137 4.320 0.011 0.000 0.217 1352 A C 2.389 180.011 177.584 0.064 0.000 1.181 1352 A CA 1.410 53.455 52.037 0.013 0.000 0.623 1352 A CB -0.535 18.435 19.000 -0.050 0.000 0.818 1352 A HN 0.305 nan 8.150 nan 0.000 0.443 1353 R N -0.634 119.912 120.500 0.077 0.000 2.115 1353 R HA 0.019 4.366 4.340 0.011 0.000 0.230 1353 R C 2.009 178.442 176.300 0.221 0.000 1.111 1353 R CA 1.148 57.324 56.100 0.126 0.000 0.976 1353 R CB -0.467 29.913 30.300 0.134 0.000 0.870 1353 R HN 0.496 nan 8.270 nan 0.000 0.445 1354 L N 0.539 121.902 121.223 0.233 0.000 2.046 1354 L HA -0.209 4.138 4.340 0.011 0.000 0.208 1354 L C 2.660 179.685 176.870 0.258 0.000 1.077 1354 L CA 1.486 56.489 54.840 0.272 0.000 0.747 1354 L CB -0.376 41.814 42.059 0.217 0.000 0.896 1354 L HN 0.320 nan 8.230 nan 0.000 0.432 1355 E N 0.505 120.835 120.200 0.217 0.000 2.028 1355 E HA -0.213 4.144 4.350 0.011 0.000 0.190 1355 E C 2.153 178.886 176.600 0.221 0.000 0.984 1355 E CA 1.046 57.595 56.400 0.248 0.000 0.800 1355 E CB 0.133 29.973 29.700 0.232 0.000 0.758 1355 E HN 0.373 nan 8.360 nan 0.000 0.448 1356 K N 0.151 120.640 120.400 0.148 0.000 2.057 1356 K HA -0.128 4.198 4.320 0.011 0.000 0.206 1356 K C 2.126 178.741 176.600 0.024 0.000 1.050 1356 K CA 1.707 58.050 56.287 0.093 0.000 0.935 1356 K CB 0.010 32.547 32.500 0.062 0.000 0.715 1356 K HN 0.188 nan 8.250 nan 0.000 0.439 1357 E N -0.892 119.305 120.200 -0.004 0.000 2.307 1357 E HA 0.009 4.366 4.350 0.011 0.000 0.195 1357 E C 1.377 177.728 176.600 -0.414 0.000 0.975 1357 E CA 0.460 56.745 56.400 -0.192 0.000 0.878 1357 E CB 0.398 29.970 29.700 -0.213 0.000 0.845 1357 E HN 0.362 nan 8.360 nan 0.000 0.488 1358 H N -0.387 118.706 119.070 0.039 0.000 2.986 1358 H HA 0.288 4.851 4.556 0.011 0.000 0.267 1358 H C -0.059 175.264 175.328 -0.009 0.000 1.072 1358 H CA 0.021 56.083 56.048 0.023 0.000 1.202 1358 H CB 0.869 30.666 29.762 0.059 0.000 1.535 1358 H HN -0.108 nan 8.280 nan 0.000 0.522 1359 R N 0.487 121.025 120.500 0.064 0.000 3.336 1359 R HA -0.117 4.230 4.340 0.011 0.000 0.260 1359 R C -1.174 175.230 176.300 0.173 0.000 1.032 1359 R CA 0.142 56.230 56.100 -0.021 0.000 0.693 1359 R CB -2.458 27.534 30.300 -0.514 0.000 1.134 1359 R HN 0.013 nan 8.270 nan 0.000 0.433 1360 V N 1.480 121.544 119.914 0.251 0.000 2.444 1360 V HA 0.417 4.543 4.120 0.011 0.000 0.294 1360 V C 0.396 176.630 176.094 0.234 0.000 1.022 1360 V CA -0.746 61.690 62.300 0.227 0.000 0.850 1360 V CB 1.867 33.818 31.823 0.215 0.000 0.992 1360 V HN 0.194 nan 8.190 nan 0.000 0.426 1361 L N 4.952 126.289 121.223 0.190 0.000 2.264 1361 L HA 0.867 5.214 4.340 0.011 0.000 0.289 1361 L C 0.319 177.260 176.870 0.119 0.000 1.044 1361 L CA -0.054 54.861 54.840 0.126 0.000 0.807 1361 L CB 1.313 43.390 42.059 0.029 0.000 1.192 1361 L HN 0.756 nan 8.230 nan 0.000 0.425 1362 A N 4.240 127.112 122.820 0.086 0.000 2.532 1362 A HA 0.926 5.253 4.320 0.011 0.000 0.290 1362 A C -0.921 176.651 177.584 -0.021 0.000 1.143 1362 A CA -0.594 51.434 52.037 -0.014 0.000 0.728 1362 A CB 1.591 20.498 19.000 -0.155 0.000 1.317 1362 A HN 0.589 nan 8.150 nan 0.000 0.414 1363 L N -0.448 120.718 121.223 -0.095 0.000 2.267 1363 L HA 0.619 4.966 4.340 0.011 0.000 0.264 1363 L C 0.225 177.038 176.870 -0.095 0.000 1.021 1363 L CA -0.653 54.163 54.840 -0.041 0.000 0.861 1363 L CB 1.405 43.457 42.059 -0.012 0.000 1.443 1363 L HN 0.807 nan 8.230 nan 0.000 0.475 1364 Q N -0.447 119.317 119.800 -0.061 0.000 2.378 1364 Q HA 0.776 5.122 4.340 0.011 0.000 0.276 1364 Q C -1.186 174.771 176.000 -0.071 0.000 1.083 1364 Q CA -0.740 55.026 55.803 -0.060 0.000 0.856 1364 Q CB 2.413 31.138 28.738 -0.022 0.000 1.383 1364 Q HN 0.670 nan 8.270 nan 0.000 0.458 1365 A N 0.827 123.612 122.820 -0.059 0.000 3.464 1365 A HA 0.612 4.938 4.320 0.011 0.000 0.243 1365 A C -0.347 177.211 177.584 -0.043 0.000 1.100 1365 A CA 0.256 52.257 52.037 -0.059 0.000 0.957 1365 A CB 0.067 19.037 19.000 -0.050 0.000 1.340 1365 A HN 0.870 nan 8.150 nan 0.000 0.645 1366 G N 1.150 109.927 108.800 -0.038 0.000 2.539 1366 G HA2 0.133 4.100 3.960 0.011 0.000 0.686 1366 G HA3 0.133 4.100 3.960 0.011 0.000 0.686 1366 G C -1.807 173.084 174.900 -0.015 0.000 1.258 1366 G CA -0.100 44.984 45.100 -0.028 0.000 0.846 1366 G HN 0.270 nan 8.290 nan 0.000 0.647 1367 P HA -0.086 nan 4.420 nan 0.000 0.223 1367 P C 1.411 178.721 177.300 0.016 0.000 1.144 1367 P CA 2.322 65.424 63.100 0.005 0.000 0.783 1367 P CB -0.009 31.694 31.700 0.004 0.000 0.771 1368 T N -4.320 110.240 114.554 0.011 0.000 3.085 1368 T HA 0.276 4.633 4.350 0.011 0.000 0.264 1368 T C 0.373 175.079 174.700 0.009 0.000 1.019 1368 T CA -0.290 61.821 62.100 0.019 0.000 0.910 1368 T CB -0.288 68.587 68.868 0.013 0.000 1.059 1368 T HN -0.203 nan 8.240 nan 0.000 0.542 1369 V N 2.042 121.954 119.914 -0.004 0.000 2.495 1369 V HA 0.527 4.654 4.120 0.011 0.000 0.298 1369 V C -0.283 175.782 176.094 -0.047 0.000 1.031 1369 V CA -1.184 61.105 62.300 -0.019 0.000 0.871 1369 V CB 1.856 33.666 31.823 -0.021 0.000 0.988 1369 V HN 0.408 nan 8.190 nan 0.000 0.432 1370 I N 4.801 125.324 120.570 -0.078 0.000 2.321 1370 I HA 0.516 4.692 4.170 0.011 0.000 0.291 1370 I C 0.231 176.153 176.117 -0.326 0.000 0.998 1370 I CA -0.349 60.823 61.300 -0.214 0.000 1.227 1370 I CB 1.234 39.091 38.000 -0.239 0.000 1.368 1370 I HN 0.598 nan 8.210 nan 0.000 0.466 1371 R N 6.387 126.676 120.500 -0.351 0.000 2.460 1371 R HA 0.574 4.920 4.340 0.011 0.000 0.303 1371 R C -1.782 174.301 176.300 -0.363 0.000 0.968 1371 R CA -0.409 55.553 56.100 -0.231 0.000 0.889 1371 R CB 1.058 31.308 30.300 -0.084 0.000 1.123 1371 R HN 0.346 nan 8.270 nan 0.000 0.455 1372 F N 5.197 125.224 119.950 0.128 0.000 2.449 1372 F HA 0.402 4.936 4.527 0.012 0.000 0.342 1372 F C -0.041 175.834 175.800 0.125 0.000 1.127 1372 F CA -0.730 57.365 58.000 0.157 0.000 0.975 1372 F CB 1.725 40.898 39.000 0.289 0.000 1.146 1372 F HN 0.283 nan 8.300 nan 0.000 0.444 1373 L N 5.512 126.879 121.223 0.240 0.000 2.783 1373 L HA 0.287 4.633 4.340 0.011 0.000 0.265 1373 L C -2.442 174.493 176.870 0.110 0.000 1.398 1373 L CA -1.614 53.322 54.840 0.159 0.000 0.802 1373 L CB 0.647 42.783 42.059 0.127 0.000 1.126 1373 L HN 0.293 nan 8.230 nan 0.000 0.529 1374 P HA 0.210 nan 4.420 nan 0.000 0.272 1374 P C -2.595 174.701 177.300 -0.006 0.000 1.223 1374 P CA -1.317 61.801 63.100 0.030 0.000 0.784 1374 P CB 0.143 31.830 31.700 -0.022 0.000 0.923 1375 P HA 0.088 nan 4.420 nan 0.000 0.267 1375 P C 1.031 178.314 177.300 -0.030 0.000 1.200 1375 P CA 0.268 63.331 63.100 -0.062 0.000 0.772 1375 P CB 0.213 31.849 31.700 -0.106 0.000 0.855 1376 L N 2.275 123.495 121.223 -0.006 0.000 2.551 1376 L HA -0.070 4.277 4.340 0.011 0.000 0.228 1376 L C 1.643 178.509 176.870 -0.006 0.000 1.153 1376 L CA 0.699 55.542 54.840 0.005 0.000 0.851 1376 L CB -0.655 41.423 42.059 0.032 0.000 0.959 1376 L HN 0.295 nan 8.230 nan 0.000 0.451 1377 V N -3.070 116.843 119.914 -0.002 0.000 3.649 1377 V HA 0.153 4.280 4.120 0.011 0.000 0.275 1377 V C 1.114 177.191 176.094 -0.028 0.000 1.281 1377 V CA -0.441 61.859 62.300 0.001 0.000 1.143 1377 V CB -0.533 31.309 31.823 0.032 0.000 0.892 1377 V HN 0.220 nan 8.190 nan 0.000 0.441 1378 I N 1.990 122.533 120.570 -0.046 0.000 2.845 1378 I HA 0.076 4.252 4.170 0.011 0.000 0.296 1378 I C 0.678 176.747 176.117 -0.081 0.000 1.216 1378 I CA 0.346 61.607 61.300 -0.065 0.000 1.438 1378 I CB 0.481 38.426 38.000 -0.091 0.000 1.342 1378 I HN 0.299 nan 8.210 nan 0.000 0.577 1379 E N 6.779 126.934 120.200 -0.075 0.000 2.366 1379 E HA 0.003 4.360 4.350 0.011 0.000 0.266 1379 E C 0.509 177.037 176.600 -0.121 0.000 1.051 1379 E CA -0.143 56.203 56.400 -0.090 0.000 0.884 1379 E CB 1.252 30.912 29.700 -0.066 0.000 1.006 1379 E HN 0.544 nan 8.360 nan 0.000 0.417 1380 K N 2.345 122.639 120.400 -0.176 0.000 2.103 1380 K HA -0.230 4.097 4.320 0.011 0.000 0.207 1380 K C 1.938 178.452 176.600 -0.143 0.000 1.048 1380 K CA 1.854 57.978 56.287 -0.272 0.000 0.930 1380 K CB 0.140 32.365 32.500 -0.458 0.000 0.716 1380 K HN 0.556 nan 8.250 nan 0.000 0.444 1381 E N 1.134 121.278 120.200 -0.094 0.000 2.153 1381 E HA -0.214 4.143 4.350 0.011 0.000 0.194 1381 E C 1.566 178.168 176.600 0.004 0.000 0.988 1381 E CA 1.767 58.152 56.400 -0.025 0.000 0.811 1381 E CB -0.577 29.106 29.700 -0.027 0.000 0.746 1381 E HN 0.398 nan 8.360 nan 0.000 0.466 1382 D N -0.132 120.253 120.400 -0.026 0.000 2.149 1382 D HA 0.016 4.663 4.640 0.011 0.000 0.201 1382 D C 2.038 178.322 176.300 -0.027 0.000 0.972 1382 D CA 0.506 54.491 54.000 -0.026 0.000 0.835 1382 D CB -0.090 40.680 40.800 -0.050 0.000 0.966 1382 D HN 0.412 nan 8.370 nan 0.000 0.476 1383 L N 0.578 121.774 121.223 -0.045 0.000 2.131 1383 L HA -0.162 4.185 4.340 0.011 0.000 0.210 1383 L C 2.334 179.296 176.870 0.153 0.000 1.092 1383 L CA 0.904 55.694 54.840 -0.084 0.000 0.759 1383 L CB -0.202 41.821 42.059 -0.060 0.000 0.903 1383 L HN -0.026 nan 8.230 nan 0.000 0.435 1384 E N 0.692 121.041 120.200 0.248 0.000 2.077 1384 E HA -0.215 4.141 4.350 0.011 0.000 0.193 1384 E C 2.258 178.931 176.600 0.122 0.000 0.989 1384 E CA 1.421 57.975 56.400 0.257 0.000 0.800 1384 E CB -0.026 29.824 29.700 0.250 0.000 0.746 1384 E HN 0.198 nan 8.360 nan 0.000 0.452 1385 R N -0.227 120.322 120.500 0.081 0.000 2.096 1385 R HA -0.081 4.266 4.340 0.011 0.000 0.235 1385 R C 2.386 178.717 176.300 0.052 0.000 1.127 1385 R CA 1.383 57.517 56.100 0.057 0.000 0.968 1385 R CB -0.406 29.921 30.300 0.044 0.000 0.861 1385 R HN 0.165 nan 8.270 nan 0.000 0.440 1386 V N 0.474 120.424 119.914 0.060 0.000 2.343 1386 V HA -0.227 3.900 4.120 0.011 0.000 0.247 1386 V C 2.399 178.541 176.094 0.081 0.000 1.051 1386 V CA 1.609 63.960 62.300 0.085 0.000 1.036 1386 V CB -0.360 31.501 31.823 0.063 0.000 0.654 1386 V HN 0.118 nan 8.190 nan 0.000 0.451 1387 V N -0.141 119.829 119.914 0.094 0.000 2.287 1387 V HA -0.296 3.831 4.120 0.011 0.000 0.248 1387 V C 2.422 178.495 176.094 -0.034 0.000 1.053 1387 V CA 2.234 64.536 62.300 0.004 0.000 1.027 1387 V CB -0.681 31.119 31.823 -0.038 0.000 0.646 1387 V HN 0.612 nan 8.190 nan 0.000 0.447 1388 E N 0.064 120.255 120.200 -0.015 0.000 2.110 1388 E HA -0.195 4.162 4.350 0.011 0.000 0.193 1388 E C 2.296 178.835 176.600 -0.102 0.000 0.988 1388 E CA 1.284 57.664 56.400 -0.033 0.000 0.804 1388 E CB -0.313 29.390 29.700 0.005 0.000 0.745 1388 E HN 0.617 nan 8.360 nan 0.000 0.458 1389 A N 0.750 123.483 122.820 -0.144 0.000 1.898 1389 A HA -0.115 4.211 4.320 0.011 0.000 0.216 1389 A C 2.465 179.858 177.584 -0.320 0.000 1.181 1389 A CA 0.941 52.723 52.037 -0.426 0.000 0.620 1389 A CB -0.503 18.341 19.000 -0.260 0.000 0.819 1389 A HN 0.107 nan 8.150 nan 0.000 0.442 1390 V N 0.097 119.949 119.914 -0.103 0.000 2.295 1390 V HA -0.254 3.872 4.120 0.011 0.000 0.246 1390 V C 2.647 178.692 176.094 -0.082 0.000 1.049 1390 V CA 2.276 64.553 62.300 -0.038 0.000 1.024 1390 V CB -0.790 31.043 31.823 0.017 0.000 0.648 1390 V HN 0.666 nan 8.190 nan 0.000 0.447 1391 R N 0.141 120.587 120.500 -0.089 0.000 2.083 1391 R HA -0.193 4.154 4.340 0.011 0.000 0.237 1391 R C 2.313 178.581 176.300 -0.054 0.000 1.137 1391 R CA 1.781 57.836 56.100 -0.075 0.000 0.951 1391 R CB -0.468 29.794 30.300 -0.064 0.000 0.851 1391 R HN 0.490 nan 8.270 nan 0.000 0.434 1392 A N 0.609 123.385 122.820 -0.074 0.000 1.883 1392 A HA -0.157 4.170 4.320 0.011 0.000 0.217 1392 A C 2.267 179.888 177.584 0.063 0.000 1.186 1392 A CA 1.970 54.002 52.037 -0.009 0.000 0.624 1392 A CB -0.887 18.095 19.000 -0.031 0.000 0.822 1392 A HN 0.372 nan 8.150 nan 0.000 0.444 1393 V N -2.243 117.698 119.914 0.044 0.000 2.626 1393 V HA -0.080 4.047 4.120 0.011 0.000 0.252 1393 V C 2.074 178.303 176.094 0.226 0.000 1.067 1393 V CA 1.817 64.234 62.300 0.196 0.000 1.081 1393 V CB -0.826 31.150 31.823 0.254 0.000 0.686 1393 V HN 0.430 nan 8.190 nan 0.000 0.468 1394 L N 0.733 121.972 121.223 0.026 0.000 2.418 1394 L HA 0.374 4.721 4.340 0.011 0.000 0.218 1394 L C 1.984 178.858 176.870 0.006 0.000 1.125 1394 L CA 0.381 55.159 54.840 -0.103 0.000 0.835 1394 L CB -0.662 41.254 42.059 -0.238 0.000 0.953 1394 L HN 0.425 nan 8.230 nan 0.000 0.454 1395 A N 0.000 122.843 122.820 0.038 0.000 2.254 1395 A HA 0.000 4.327 4.320 0.011 0.000 0.244 1395 A CA 0.000 52.060 52.037 0.039 0.000 0.836 1395 A CB 0.000 19.024 19.000 0.041 0.000 0.831 1395 A HN 0.000 nan 8.150 nan 0.000 0.486