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 1eg7_1_A DATA FIRST_RESID 1007 DATA SEQUENCE DIEIAQAAKM KPVMELARGL GIQEDEVELY GKYKAKISLD VYRRLKDKPD DATA SEQUENCE GKLILVTAIT PTPAGEGKTT TSVGLTDALA RLGKRVMVCL REPSLGPSFG DATA SEQUENCE IKGGAAGGGY AQVVPMEDIN LHFTGDIHAV TYAHNLLAAM VDNHLQQGNV DATA SEQUENCE LNIDPRTITW RRVIDLNERA LRNIVIGLGG KANGVPRETG FDISVASEVM DATA SEQUENCE ACLCLASDLM DLKERFSRKV VGYTYDGKPV TAGDLEAQGS MALLMKDAIK DATA SEQUENCE PNLVQTLENT PAFIHGGPFA NIAHGCNSII ATKTALKLAD YVVTEAGFGA DATA SEQUENCE DLGAEKFYDV KCRYAGFKPD ATVIVATVRA LKMHGGVPKS DLATENLEAL DATA SEQUENCE REGFANLEKH IENIGKFGVP AVVAINAFPT DTEAELNLLY ELCAKAGAEV DATA SEQUENCE ALSXXWAKGG EGGLELARKV LQTLESRPSN FHVLYNLDLS IKDKIAKIAT DATA SEQUENCE EIYGADGVNY TAEADKAIQR YESLGYGNLP VVMAKTQYSF SDDMTKLGRP DATA SEQUENCE RNFTITVREV RLSAGGRLIV PITGAIMTMP GLPKRPAACN IDIDADGVIT DATA SEQUENCE G 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 1007 D HA 0.000 nan 4.640 nan 0.000 0.175 1007 D C 0.000 176.250 176.300 -0.083 0.000 2.045 1007 D CA 0.000 53.898 54.000 -0.171 0.000 0.868 1007 D CB 0.000 40.732 40.800 -0.114 0.000 0.688 1008 I N -0.503 120.025 120.570 -0.070 0.000 2.793 1008 I HA 0.465 4.635 4.170 0.000 0.000 0.313 1008 I C 1.297 177.359 176.117 -0.092 0.000 0.998 1008 I CA -0.808 60.476 61.300 -0.027 0.000 1.140 1008 I CB 1.232 39.222 38.000 -0.016 0.000 1.327 1008 I HN -0.261 nan 8.210 nan 0.000 0.491 1009 E N 1.351 121.512 120.200 -0.064 0.000 2.150 1009 E HA -0.133 4.218 4.350 0.000 0.000 0.193 1009 E C 1.880 178.420 176.600 -0.101 0.000 0.985 1009 E CA 1.013 57.348 56.400 -0.108 0.000 0.814 1009 E CB 0.166 29.845 29.700 -0.035 0.000 0.752 1009 E HN 0.707 nan 8.360 nan 0.000 0.466 1010 I N 0.823 121.352 120.570 -0.067 0.000 2.353 1010 I HA -0.156 4.014 4.170 0.000 0.000 0.248 1010 I C 2.040 178.119 176.117 -0.064 0.000 1.119 1010 I CA 0.724 61.988 61.300 -0.060 0.000 1.417 1010 I CB -0.006 37.965 38.000 -0.047 0.000 1.078 1010 I HN 0.013 nan 8.210 nan 0.000 0.421 1011 A N 0.046 122.826 122.820 -0.066 0.000 2.259 1011 A HA -0.139 4.181 4.320 0.000 0.000 0.212 1011 A C 1.347 178.887 177.584 -0.074 0.000 1.178 1011 A CA 0.713 52.714 52.037 -0.061 0.000 0.734 1011 A CB -0.607 18.359 19.000 -0.057 0.000 0.774 1011 A HN 0.664 nan 8.150 nan 0.000 0.481 1012 Q N 0.216 119.957 119.800 -0.097 0.000 2.819 1012 Q HA 0.455 4.795 4.340 0.000 0.000 0.392 1012 Q C -0.396 175.561 176.000 -0.072 0.000 1.088 1012 Q CA -0.305 55.437 55.803 -0.102 0.000 1.062 1012 Q CB 0.695 29.319 28.738 -0.189 0.000 1.369 1012 Q HN 0.471 nan 8.270 nan 0.000 0.434 1013 A N 1.213 123.999 122.820 -0.057 0.000 2.260 1013 A HA 0.784 5.104 4.320 0.000 0.000 0.312 1013 A C -0.447 177.106 177.584 -0.052 0.000 1.321 1013 A CA -0.288 51.714 52.037 -0.058 0.000 0.928 1013 A CB 0.555 19.523 19.000 -0.053 0.000 1.158 1013 A HN 0.437 nan 8.150 nan 0.000 0.542 1014 A N 2.698 125.484 122.820 -0.057 0.000 2.565 1014 A HA 0.639 4.959 4.320 0.000 0.000 0.298 1014 A C -0.298 177.257 177.584 -0.049 0.000 1.062 1014 A CA -0.821 51.189 52.037 -0.044 0.000 0.723 1014 A CB 0.495 19.486 19.000 -0.015 0.000 1.282 1014 A HN 1.294 nan 8.150 nan 0.000 0.400 1015 K N 0.911 121.283 120.400 -0.047 0.000 4.669 1015 K HA -0.167 4.153 4.320 0.000 0.000 0.450 1015 K C -0.634 175.949 176.600 -0.029 0.000 0.993 1015 K CA 1.445 57.715 56.287 -0.029 0.000 1.007 1015 K CB -1.058 31.441 32.500 -0.002 0.000 1.936 1015 K HN 0.685 nan 8.250 nan 0.000 0.293 1016 M N 3.578 123.152 119.600 -0.044 0.000 2.602 1016 M HA 0.362 4.842 4.480 0.000 0.000 0.312 1016 M C 0.042 176.494 176.300 0.252 0.000 1.181 1016 M CA -0.876 54.436 55.300 0.020 0.000 0.910 1016 M CB 2.358 34.827 32.600 -0.218 0.000 1.723 1016 M HN 0.254 nan 8.290 nan 0.000 0.459 1017 K N 1.783 122.326 120.400 0.238 0.000 2.138 1017 K HA 0.490 4.810 4.320 0.000 0.000 0.263 1017 K C -2.539 174.172 176.600 0.184 0.000 0.965 1017 K CA -1.728 54.677 56.287 0.197 0.000 0.868 1017 K CB 1.055 33.612 32.500 0.095 0.000 1.083 1017 K HN 0.220 nan 8.250 nan 0.000 0.443 1018 P HA -0.146 nan 4.420 nan 0.000 0.261 1018 P C 0.951 178.230 177.300 -0.034 0.000 1.173 1018 P CA 0.069 63.084 63.100 -0.141 0.000 0.760 1018 P CB 0.426 32.040 31.700 -0.144 0.000 0.783 1019 V N 1.309 121.207 119.914 -0.027 0.000 2.594 1019 V HA -0.241 3.879 4.120 0.000 0.000 0.253 1019 V C 1.850 177.949 176.094 0.009 0.000 1.069 1019 V CA 1.568 63.883 62.300 0.024 0.000 1.082 1019 V CB -1.240 30.616 31.823 0.055 0.000 0.680 1019 V HN 0.419 nan 8.190 nan 0.000 0.469 1020 M N 0.636 120.227 119.600 -0.014 0.000 2.086 1020 M HA -0.154 4.326 4.480 0.000 0.000 0.261 1020 M C 2.284 178.582 176.300 -0.003 0.000 1.067 1020 M CA 2.455 57.751 55.300 -0.007 0.000 1.116 1020 M CB -0.976 31.610 32.600 -0.022 0.000 1.348 1020 M HN 0.711 nan 8.290 nan 0.000 0.407 1021 E N 0.105 120.299 120.200 -0.009 0.000 2.070 1021 E HA -0.232 4.119 4.350 0.000 0.000 0.197 1021 E C 2.094 178.697 176.600 0.004 0.000 1.004 1021 E CA 1.493 57.892 56.400 -0.002 0.000 0.805 1021 E CB -0.163 29.537 29.700 0.001 0.000 0.744 1021 E HN 0.500 nan 8.360 nan 0.000 0.451 1022 L N 0.213 121.440 121.223 0.007 0.000 2.083 1022 L HA -0.171 4.170 4.340 0.000 0.000 0.209 1022 L C 2.702 179.569 176.870 -0.004 0.000 1.083 1022 L CA 1.057 55.898 54.840 0.001 0.000 0.752 1022 L CB -0.507 41.554 42.059 0.003 0.000 0.899 1022 L HN 0.250 nan 8.230 nan 0.000 0.433 1023 A N 0.071 122.894 122.820 0.006 0.000 1.930 1023 A HA -0.172 4.148 4.320 0.000 0.000 0.217 1023 A C 2.375 179.968 177.584 0.016 0.000 1.175 1023 A CA 1.240 53.287 52.037 0.016 0.000 0.627 1023 A CB -0.368 18.654 19.000 0.037 0.000 0.815 1023 A HN 0.321 nan 8.150 nan 0.000 0.443 1024 R N -0.883 119.624 120.500 0.012 0.000 2.066 1024 R HA -0.063 4.277 4.340 0.000 0.000 0.232 1024 R C 2.090 178.394 176.300 0.008 0.000 1.131 1024 R CA 1.048 57.155 56.100 0.010 0.000 0.955 1024 R CB -0.572 29.732 30.300 0.006 0.000 0.851 1024 R HN 0.479 nan 8.270 nan 0.000 0.432 1025 G N 0.251 109.054 108.800 0.005 0.000 2.990 1025 G HA2 -0.056 3.904 3.960 0.000 0.000 0.206 1025 G HA3 -0.056 3.904 3.960 0.000 0.000 0.206 1025 G C 0.878 175.779 174.900 0.002 0.000 1.169 1025 G CA 0.058 45.160 45.100 0.003 0.000 0.819 1025 G HN 0.105 nan 8.290 nan 0.000 0.517 1026 L N -1.204 120.021 121.223 0.003 0.000 2.920 1026 L HA 0.442 4.782 4.340 0.000 0.000 0.257 1026 L C 1.658 178.537 176.870 0.016 0.000 1.150 1026 L CA 1.103 55.944 54.840 0.002 0.000 0.959 1026 L CB 0.508 42.558 42.059 -0.015 0.000 1.321 1026 L HN 0.270 nan 8.230 nan 0.000 0.555 1027 G N 0.285 109.096 108.800 0.018 0.000 2.176 1027 G HA2 -0.220 3.740 3.960 0.000 0.000 0.232 1027 G HA3 -0.220 3.740 3.960 0.000 0.000 0.232 1027 G C 0.327 175.246 174.900 0.031 0.000 0.986 1027 G CA 0.107 45.220 45.100 0.022 0.000 0.643 1027 G HN 0.235 nan 8.290 nan 0.000 0.522 1028 I N 1.796 122.389 120.570 0.038 0.000 2.441 1028 I HA 0.230 4.400 4.170 0.000 0.000 0.287 1028 I C 1.024 177.163 176.117 0.036 0.000 1.049 1028 I CA -0.389 60.941 61.300 0.049 0.000 1.381 1028 I CB 0.909 38.950 38.000 0.068 0.000 1.409 1028 I HN 0.182 nan 8.210 nan 0.000 0.523 1029 Q N 4.432 124.252 119.800 0.034 0.000 2.373 1029 Q HA 0.019 4.359 4.340 0.000 0.000 0.255 1029 Q C 0.986 177.001 176.000 0.025 0.000 0.980 1029 Q CA -0.176 55.642 55.803 0.025 0.000 0.882 1029 Q CB 1.117 29.868 28.738 0.022 0.000 1.249 1029 Q HN 0.581 nan 8.270 nan 0.000 0.438 1030 E N 1.647 121.857 120.200 0.017 0.000 2.118 1030 E HA -0.251 4.099 4.350 0.000 0.000 0.195 1030 E C 0.811 177.420 176.600 0.015 0.000 0.992 1030 E CA 1.625 58.033 56.400 0.014 0.000 0.804 1030 E CB 0.141 29.845 29.700 0.006 0.000 0.741 1030 E HN 0.716 nan 8.360 nan 0.000 0.458 1031 D N -0.204 120.205 120.400 0.015 0.000 2.338 1031 D HA -0.109 4.531 4.640 0.000 0.000 0.239 1031 D C 0.358 176.671 176.300 0.022 0.000 1.095 1031 D CA 0.457 54.466 54.000 0.014 0.000 0.888 1031 D CB -0.082 40.724 40.800 0.011 0.000 0.899 1031 D HN 0.393 nan 8.370 nan 0.000 0.525 1032 E N -0.514 119.704 120.200 0.031 0.000 2.630 1032 E HA 0.190 4.540 4.350 0.000 0.000 0.218 1032 E C -0.469 176.162 176.600 0.050 0.000 0.977 1032 E CA -0.178 56.247 56.400 0.041 0.000 1.038 1032 E CB 1.690 31.419 29.700 0.049 0.000 1.051 1032 E HN 0.037 nan 8.360 nan 0.000 0.487 1033 V N 1.904 121.844 119.914 0.044 0.000 2.409 1033 V HA 0.230 4.350 4.120 0.000 0.000 0.291 1033 V C -0.444 175.677 176.094 0.045 0.000 1.020 1033 V CA -0.660 61.672 62.300 0.052 0.000 0.848 1033 V CB 1.734 33.584 31.823 0.045 0.000 0.990 1033 V HN 0.106 nan 8.190 nan 0.000 0.430 1034 E N 4.908 125.150 120.200 0.070 0.000 2.114 1034 E HA 0.490 4.840 4.350 0.000 0.000 0.266 1034 E C -0.846 175.821 176.600 0.111 0.000 0.896 1034 E CA -0.537 55.901 56.400 0.063 0.000 0.750 1034 E CB 1.189 30.944 29.700 0.092 0.000 1.121 1034 E HN 0.618 nan 8.360 nan 0.000 0.413 1035 L N 3.792 125.029 121.223 0.024 0.000 2.464 1035 L HA 0.126 4.466 4.340 0.000 0.000 0.264 1035 L C -0.620 176.229 176.870 -0.035 0.000 1.199 1035 L CA 0.030 54.894 54.840 0.040 0.000 0.818 1035 L CB 0.369 42.414 42.059 -0.024 0.000 1.102 1035 L HN 0.690 nan 8.230 nan 0.000 0.473 1036 Y N 1.168 121.443 120.300 -0.043 0.000 2.516 1036 Y HA 0.448 4.998 4.550 0.000 0.000 0.329 1036 Y C 0.527 176.416 175.900 -0.017 0.000 1.095 1036 Y CA 0.089 58.164 58.100 -0.042 0.000 1.213 1036 Y CB 1.097 39.507 38.460 -0.084 0.000 1.109 1036 Y HN 0.767 nan 8.280 nan 0.000 0.630 1037 G N 1.338 110.171 108.800 0.055 0.000 2.685 1037 G HA2 -0.205 3.755 3.960 0.000 0.000 0.387 1037 G HA3 -0.205 3.755 3.960 0.000 0.000 0.387 1037 G C 0.456 175.346 174.900 -0.017 0.000 1.324 1037 G CA -0.619 44.512 45.100 0.052 0.000 0.878 1037 G HN 0.189 nan 8.290 nan 0.000 0.527 1038 K N -0.649 119.680 120.400 -0.118 0.000 2.305 1038 K HA 0.116 4.436 4.320 0.000 0.000 0.199 1038 K C 1.299 177.585 176.600 -0.522 0.000 1.047 1038 K CA 1.338 57.390 56.287 -0.392 0.000 0.976 1038 K CB 0.100 32.198 32.500 -0.670 0.000 0.765 1038 K HN 0.584 nan 8.250 nan 0.000 0.474 1039 Y N 0.594 120.930 120.300 0.061 0.000 2.681 1039 Y HA 0.314 4.864 4.550 0.000 0.000 0.267 1039 Y C -0.079 175.871 175.900 0.083 0.000 1.166 1039 Y CA -0.383 57.758 58.100 0.068 0.000 1.209 1039 Y CB 0.581 39.082 38.460 0.068 0.000 1.161 1039 Y HN -0.278 nan 8.280 nan 0.000 0.534 1040 K N 0.722 121.216 120.400 0.156 0.000 2.542 1040 K HA 0.830 5.150 4.320 0.000 0.000 0.259 1040 K C -1.407 175.254 176.600 0.101 0.000 0.932 1040 K CA -0.804 55.548 56.287 0.109 0.000 0.820 1040 K CB 2.545 35.069 32.500 0.040 0.000 1.345 1040 K HN 0.015 nan 8.250 nan 0.000 0.432 1041 A N 2.241 125.098 122.820 0.062 0.000 2.604 1041 A HA 0.558 4.878 4.320 0.000 0.000 0.295 1041 A C -1.672 175.934 177.584 0.037 0.000 1.067 1041 A CA -0.908 51.195 52.037 0.110 0.000 0.683 1041 A CB 1.418 20.483 19.000 0.108 0.000 1.281 1041 A HN 0.552 nan 8.150 nan 0.000 0.407 1042 K N 0.929 121.366 120.400 0.062 0.000 2.164 1042 K HA 0.721 5.041 4.320 0.000 0.000 0.258 1042 K C -1.177 175.446 176.600 0.039 0.000 0.951 1042 K CA -0.364 55.908 56.287 -0.024 0.000 0.844 1042 K CB 1.981 34.459 32.500 -0.037 0.000 1.099 1042 K HN 0.577 nan 8.250 nan 0.000 0.435 1043 I N 0.846 121.418 120.570 0.004 0.000 2.530 1043 I HA 0.104 4.274 4.170 0.000 0.000 0.297 1043 I C 0.424 176.543 176.117 0.004 0.000 1.011 1043 I CA -0.662 60.665 61.300 0.045 0.000 1.107 1043 I CB 2.067 40.148 38.000 0.135 0.000 1.285 1043 I HN 0.556 nan 8.210 nan 0.000 0.436 1044 S N 3.974 119.694 115.700 0.034 0.000 2.568 1044 S HA 0.146 4.616 4.470 0.000 0.000 0.282 1044 S C 0.747 175.371 174.600 0.039 0.000 1.338 1044 S CA -0.289 57.929 58.200 0.030 0.000 1.045 1044 S CB 0.516 63.740 63.200 0.040 0.000 0.873 1044 S HN 0.490 nan 8.310 nan 0.000 0.516 1045 L N 3.481 124.727 121.223 0.038 0.000 2.650 1045 L HA 0.132 4.473 4.340 0.000 0.000 0.235 1045 L C 1.654 178.591 176.870 0.112 0.000 1.149 1045 L CA 0.820 55.701 54.840 0.070 0.000 0.887 1045 L CB -0.297 41.793 42.059 0.052 0.000 1.021 1045 L HN 0.659 nan 8.230 nan 0.000 0.441 1046 D N -1.233 119.215 120.400 0.080 0.000 2.234 1046 D HA -0.060 4.580 4.640 0.000 0.000 0.205 1046 D C 2.266 178.610 176.300 0.073 0.000 0.962 1046 D CA 0.796 54.836 54.000 0.068 0.000 0.855 1046 D CB 0.371 41.198 40.800 0.045 0.000 0.951 1046 D HN 0.152 nan 8.370 nan 0.000 0.500 1047 V N 0.859 120.831 119.914 0.096 0.000 2.392 1047 V HA -0.267 3.853 4.120 0.000 0.000 0.249 1047 V C 2.200 178.367 176.094 0.120 0.000 1.059 1047 V CA 1.446 63.808 62.300 0.104 0.000 1.051 1047 V CB -0.599 31.305 31.823 0.136 0.000 0.658 1047 V HN 0.225 nan 8.190 nan 0.000 0.455 1048 Y N 0.793 121.122 120.300 0.049 0.000 2.314 1048 Y HA -0.032 4.518 4.550 0.000 0.000 0.294 1048 Y C 2.690 178.614 175.900 0.040 0.000 1.119 1048 Y CA 1.548 59.680 58.100 0.053 0.000 1.179 1048 Y CB -0.201 38.292 38.460 0.056 0.000 1.025 1048 Y HN 0.028 nan 8.280 nan 0.000 0.541 1049 R N 0.852 121.360 120.500 0.013 0.000 2.105 1049 R HA -0.192 4.148 4.340 0.000 0.000 0.239 1049 R C 2.311 178.534 176.300 -0.127 0.000 1.135 1049 R CA 2.074 58.139 56.100 -0.059 0.000 0.967 1049 R CB -0.145 30.181 30.300 0.044 0.000 0.861 1049 R HN 0.550 nan 8.270 nan 0.000 0.442 1050 R N -0.707 119.742 120.500 -0.086 0.000 2.223 1050 R HA 0.067 4.407 4.340 0.000 0.000 0.198 1050 R C 1.374 177.615 176.300 -0.099 0.000 0.984 1050 R CA 0.550 56.606 56.100 -0.073 0.000 1.018 1050 R CB -0.024 30.258 30.300 -0.029 0.000 0.945 1050 R HN 0.208 nan 8.270 nan 0.000 0.479 1051 L N 1.428 122.573 121.223 -0.131 0.000 2.653 1051 L HA 0.243 4.583 4.340 0.000 0.000 0.231 1051 L C 1.995 178.739 176.870 -0.209 0.000 1.153 1051 L CA -0.010 54.760 54.840 -0.118 0.000 0.933 1051 L CB 0.136 42.168 42.059 -0.046 0.000 1.175 1051 L HN 0.219 nan 8.230 nan 0.000 0.473 1052 K N 0.410 120.597 120.400 -0.355 0.000 2.211 1052 K HA -0.158 4.162 4.320 0.000 0.000 0.203 1052 K C 0.885 177.381 176.600 -0.173 0.000 1.050 1052 K CA 1.251 57.281 56.287 -0.427 0.000 0.945 1052 K CB 0.276 32.465 32.500 -0.518 0.000 0.732 1052 K HN 0.226 nan 8.250 nan 0.000 0.451 1053 D N 0.700 121.032 120.400 -0.114 0.000 2.347 1053 D HA -0.019 4.621 4.640 0.000 0.000 0.213 1053 D C 0.088 176.366 176.300 -0.036 0.000 0.985 1053 D CA 0.574 54.539 54.000 -0.057 0.000 0.879 1053 D CB 0.260 41.033 40.800 -0.045 0.000 0.919 1053 D HN 0.038 nan 8.370 nan 0.000 0.526 1054 K N 1.658 122.032 120.400 -0.043 0.000 2.138 1054 K HA 0.248 4.568 4.320 0.000 0.000 0.251 1054 K C -2.055 174.541 176.600 -0.007 0.000 1.015 1054 K CA -1.561 54.713 56.287 -0.022 0.000 0.917 1054 K CB -0.184 32.303 32.500 -0.021 0.000 1.021 1054 K HN 0.043 nan 8.250 nan 0.000 0.485 1055 P HA 0.162 nan 4.420 nan 0.000 0.276 1055 P C -0.724 176.578 177.300 0.003 0.000 1.244 1055 P CA -0.312 62.789 63.100 0.002 0.000 0.801 1055 P CB 0.667 32.361 31.700 -0.009 0.000 1.006 1056 D N -0.036 120.369 120.400 0.009 0.000 2.283 1056 D HA 0.317 4.957 4.640 0.000 0.000 0.248 1056 D C 1.071 177.337 176.300 -0.056 0.000 1.072 1056 D CA 0.038 54.037 54.000 -0.001 0.000 0.929 1056 D CB 1.193 42.004 40.800 0.018 0.000 1.182 1056 D HN 0.401 nan 8.370 nan 0.000 0.433 1057 G N 0.871 109.620 108.800 -0.085 0.000 2.486 1057 G HA2 0.127 4.087 3.960 0.000 0.000 0.272 1057 G HA3 0.127 4.087 3.960 0.000 0.000 0.272 1057 G C 0.151 174.948 174.900 -0.172 0.000 1.426 1057 G CA -0.347 44.652 45.100 -0.169 0.000 1.058 1057 G HN 0.198 nan 8.290 nan 0.000 0.531 1058 K N -0.463 119.793 120.400 -0.240 0.000 2.143 1058 K HA 0.384 4.705 4.320 0.000 0.000 0.272 1058 K C -0.985 175.577 176.600 -0.064 0.000 1.001 1058 K CA -0.683 55.524 56.287 -0.133 0.000 0.915 1058 K CB 1.956 34.388 32.500 -0.113 0.000 1.047 1058 K HN 0.183 nan 8.250 nan 0.000 0.458 1059 L N 4.101 125.297 121.223 -0.045 0.000 2.287 1059 L HA 0.442 4.782 4.340 0.000 0.000 0.287 1059 L C -0.845 176.035 176.870 0.016 0.000 1.022 1059 L CA -0.264 54.552 54.840 -0.041 0.000 0.814 1059 L CB 0.640 42.643 42.059 -0.093 0.000 1.217 1059 L HN 0.491 nan 8.230 nan 0.000 0.420 1060 I N 6.161 126.738 120.570 0.013 0.000 2.382 1060 I HA 0.292 4.462 4.170 0.000 0.000 0.285 1060 I C -0.778 175.294 176.117 -0.076 0.000 1.007 1060 I CA -0.692 60.611 61.300 0.004 0.000 1.142 1060 I CB 1.644 39.657 38.000 0.022 0.000 1.289 1060 I HN 0.455 nan 8.210 nan 0.000 0.453 1061 L N 8.668 129.818 121.223 -0.121 0.000 2.276 1061 L HA 0.571 4.911 4.340 0.000 0.000 0.286 1061 L C -0.542 176.180 176.870 -0.247 0.000 1.061 1061 L CA -0.170 54.457 54.840 -0.355 0.000 0.807 1061 L CB 1.545 43.241 42.059 -0.605 0.000 1.177 1061 L HN 0.434 nan 8.230 nan 0.000 0.429 1062 V N 5.576 125.330 119.914 -0.266 0.000 2.459 1062 V HA 0.741 4.861 4.120 0.000 0.000 0.295 1062 V C -0.242 175.722 176.094 -0.217 0.000 1.029 1062 V CA 0.443 62.636 62.300 -0.178 0.000 0.874 1062 V CB 1.550 33.298 31.823 -0.124 0.000 0.985 1062 V HN 1.039 nan 8.190 nan 0.000 0.438 1063 T N 4.332 118.783 114.554 -0.173 0.000 2.604 1063 T HA 0.950 5.300 4.350 0.000 0.000 0.267 1063 T C -0.462 174.145 174.700 -0.154 0.000 0.923 1063 T CA 0.123 62.113 62.100 -0.183 0.000 1.077 1063 T CB 1.764 70.516 68.868 -0.193 0.000 1.392 1063 T HN 1.692 nan 8.240 nan 0.000 0.531 1064 A N 0.124 122.827 122.820 -0.195 0.000 2.568 1064 A HA 0.766 5.087 4.320 0.000 0.000 0.291 1064 A C -0.479 176.885 177.584 -0.367 0.000 1.159 1064 A CA -0.708 51.209 52.037 -0.201 0.000 0.679 1064 A CB 0.265 19.181 19.000 -0.141 0.000 1.285 1064 A HN 1.081 nan 8.150 nan 0.000 0.428 1065 I N -1.741 118.659 120.570 -0.282 0.000 3.322 1065 I HA 0.459 4.629 4.170 0.000 0.000 0.296 1065 I C 0.283 176.257 176.117 -0.238 0.000 1.101 1065 I CA -0.337 60.766 61.300 -0.330 0.000 1.166 1065 I CB 0.126 38.094 38.000 -0.054 0.000 1.475 1065 I HN 0.484 nan 8.210 nan 0.000 0.665 1066 T N 4.394 118.896 114.554 -0.087 0.000 2.792 1066 T HA 0.106 4.457 4.350 0.000 0.000 0.286 1066 T C -2.170 172.560 174.700 0.050 0.000 0.970 1066 T CA -0.362 61.681 62.100 -0.095 0.000 1.187 1066 T CB -0.633 68.119 68.868 -0.193 0.000 0.915 1066 T HN 0.503 nan 8.240 nan 0.000 0.529 1067 P HA 0.094 nan 4.420 nan 0.000 0.266 1067 P C -0.062 177.286 177.300 0.081 0.000 1.195 1067 P CA -0.097 62.985 63.100 -0.031 0.000 0.768 1067 P CB 0.478 32.100 31.700 -0.129 0.000 0.838 1068 T N -1.213 113.360 114.554 0.031 0.000 2.901 1068 T HA 0.487 4.837 4.350 0.000 0.000 0.293 1068 T C -1.996 172.673 174.700 -0.052 0.000 1.084 1068 T CA -2.055 60.021 62.100 -0.040 0.000 1.008 1068 T CB 1.477 70.213 68.868 -0.219 0.000 1.170 1068 T HN 0.143 nan 8.240 nan 0.000 0.509 1069 P HA 0.055 nan 4.420 nan 0.000 0.228 1069 P C 1.197 178.420 177.300 -0.129 0.000 1.151 1069 P CA 0.630 63.658 63.100 -0.120 0.000 0.770 1069 P CB -0.303 31.299 31.700 -0.162 0.000 0.786 1070 A N -0.248 122.480 122.820 -0.155 0.000 2.169 1070 A HA 0.425 4.745 4.320 0.000 0.000 0.212 1070 A C 1.218 178.679 177.584 -0.206 0.000 1.153 1070 A CA 0.709 52.627 52.037 -0.199 0.000 0.756 1070 A CB -1.102 17.762 19.000 -0.225 0.000 0.813 1070 A HN 0.370 nan 8.150 nan 0.000 0.471 1071 G N -1.093 107.622 108.800 -0.142 0.000 2.856 1071 G HA2 -0.107 3.853 3.960 0.000 0.000 0.674 1071 G HA3 -0.107 3.853 3.960 0.000 0.000 0.674 1071 G C -0.124 174.697 174.900 -0.131 0.000 1.519 1071 G CA 0.215 45.242 45.100 -0.122 0.000 0.940 1071 G HN 0.343 nan 8.290 nan 0.000 0.564 1072 E N -0.396 119.746 120.200 -0.096 0.000 2.505 1072 E HA 0.437 4.788 4.350 0.000 0.000 0.212 1072 E C 1.296 177.858 176.600 -0.063 0.000 0.825 1072 E CA 1.142 57.495 56.400 -0.078 0.000 1.333 1072 E CB 0.634 30.300 29.700 -0.057 0.000 1.319 1072 E HN 2.317 nan 8.360 nan 0.000 0.658 1073 G N 2.457 111.220 108.800 -0.062 0.000 2.643 1073 G HA2 -0.320 3.640 3.960 0.000 0.000 0.280 1073 G HA3 -0.320 3.640 3.960 0.000 0.000 0.280 1073 G C 0.578 175.462 174.900 -0.026 0.000 1.120 1073 G CA 0.627 45.702 45.100 -0.041 0.000 1.165 1073 G HN 0.152 nan 8.290 nan 0.000 0.540 1074 K N -0.684 119.691 120.400 -0.043 0.000 2.031 1074 K HA -0.030 4.290 4.320 0.000 0.000 0.205 1074 K C 2.460 179.032 176.600 -0.047 0.000 1.049 1074 K CA 1.751 58.006 56.287 -0.053 0.000 0.939 1074 K CB -0.125 32.328 32.500 -0.078 0.000 0.717 1074 K HN 0.348 nan 8.250 nan 0.000 0.438 1075 T N 0.567 115.095 114.554 -0.043 0.000 2.904 1075 T HA -0.065 4.285 4.350 0.000 0.000 0.267 1075 T C 1.686 176.383 174.700 -0.006 0.000 1.059 1075 T CA 1.546 63.623 62.100 -0.037 0.000 1.137 1075 T CB -0.241 68.601 68.868 -0.044 0.000 0.879 1075 T HN 0.341 nan 8.240 nan 0.000 0.467 1076 T N 1.889 116.456 114.554 0.021 0.000 2.684 1076 T HA -0.129 4.221 4.350 0.000 0.000 0.267 1076 T C 2.263 176.997 174.700 0.058 0.000 1.036 1076 T CA 1.673 63.814 62.100 0.069 0.000 1.148 1076 T CB -0.646 68.298 68.868 0.126 0.000 0.863 1076 T HN 0.378 nan 8.240 nan 0.000 0.436 1077 T N 1.696 116.271 114.554 0.035 0.000 2.821 1077 T HA -0.069 4.282 4.350 0.000 0.000 0.267 1077 T C 2.431 177.133 174.700 0.003 0.000 1.046 1077 T CA 1.280 63.395 62.100 0.025 0.000 1.139 1077 T CB -0.350 68.524 68.868 0.010 0.000 0.871 1077 T HN 0.305 nan 8.240 nan 0.000 0.454 1078 S N 0.931 116.622 115.700 -0.016 0.000 2.368 1078 S HA -0.090 4.380 4.470 0.000 0.000 0.225 1078 S C 2.313 176.904 174.600 -0.016 0.000 1.030 1078 S CA 0.982 59.165 58.200 -0.029 0.000 0.999 1078 S CB -0.440 62.731 63.200 -0.048 0.000 0.844 1078 S HN 0.311 nan 8.310 nan 0.000 0.459 1079 V N 1.519 121.431 119.914 -0.004 0.000 2.379 1079 V HA -0.068 4.052 4.120 0.000 0.000 0.245 1079 V C 2.633 178.732 176.094 0.008 0.000 1.044 1079 V CA 1.804 64.105 62.300 0.002 0.000 1.036 1079 V CB -1.508 30.320 31.823 0.008 0.000 0.664 1079 V HN 0.570 nan 8.190 nan 0.000 0.453 1080 G N 0.112 108.925 108.800 0.021 0.000 2.408 1080 G HA2 -0.232 3.728 3.960 0.000 0.000 0.217 1080 G HA3 -0.232 3.728 3.960 0.000 0.000 0.217 1080 G C 1.588 176.491 174.900 0.004 0.000 1.150 1080 G CA 1.098 46.213 45.100 0.024 0.000 0.776 1080 G HN 0.442 nan 8.290 nan 0.000 0.542 1081 L N 0.979 122.201 121.223 -0.003 0.000 2.017 1081 L HA 0.003 4.343 4.340 0.000 0.000 0.208 1081 L C 2.830 179.682 176.870 -0.030 0.000 1.073 1081 L CA 2.641 57.470 54.840 -0.018 0.000 0.745 1081 L CB -1.043 41.004 42.059 -0.020 0.000 0.894 1081 L HN 0.159 nan 8.230 nan 0.000 0.432 1082 T N -0.403 114.137 114.554 -0.024 0.000 2.684 1082 T HA -0.174 4.177 4.350 0.000 0.000 0.267 1082 T C 1.537 176.218 174.700 -0.031 0.000 1.036 1082 T CA 1.608 63.692 62.100 -0.026 0.000 1.148 1082 T CB -0.386 68.472 68.868 -0.017 0.000 0.863 1082 T HN 0.394 nan 8.240 nan 0.000 0.436 1083 D N 1.030 121.417 120.400 -0.022 0.000 2.144 1083 D HA 0.003 4.643 4.640 0.000 0.000 0.199 1083 D C 2.317 178.597 176.300 -0.034 0.000 0.984 1083 D CA 1.152 55.139 54.000 -0.022 0.000 0.834 1083 D CB -0.388 40.406 40.800 -0.010 0.000 0.955 1083 D HN 0.398 nan 8.370 nan 0.000 0.465 1084 A N 0.513 123.312 122.820 -0.036 0.000 1.898 1084 A HA -0.101 4.219 4.320 0.000 0.000 0.216 1084 A C 2.392 179.934 177.584 -0.071 0.000 1.181 1084 A CA 0.814 52.823 52.037 -0.047 0.000 0.620 1084 A CB -0.728 18.247 19.000 -0.040 0.000 0.819 1084 A HN 0.216 nan 8.150 nan 0.000 0.442 1085 L N -0.785 120.383 121.223 -0.090 0.000 2.083 1085 L HA -0.191 4.149 4.340 0.000 0.000 0.209 1085 L C 3.075 179.876 176.870 -0.114 0.000 1.083 1085 L CA 0.948 55.700 54.840 -0.147 0.000 0.752 1085 L CB -0.565 41.384 42.059 -0.184 0.000 0.899 1085 L HN 0.452 nan 8.230 nan 0.000 0.433 1086 A N 0.376 123.154 122.820 -0.070 0.000 1.858 1086 A HA -0.210 4.111 4.320 0.000 0.000 0.216 1086 A C 2.376 179.932 177.584 -0.046 0.000 1.190 1086 A CA 1.526 53.535 52.037 -0.047 0.000 0.617 1086 A CB -0.475 18.505 19.000 -0.032 0.000 0.827 1086 A HN 0.291 nan 8.150 nan 0.000 0.443 1087 R N -0.549 119.923 120.500 -0.046 0.000 2.105 1087 R HA -0.010 4.330 4.340 0.000 0.000 0.239 1087 R C 1.579 177.851 176.300 -0.047 0.000 1.135 1087 R CA 1.253 57.327 56.100 -0.043 0.000 0.967 1087 R CB -0.460 29.814 30.300 -0.043 0.000 0.861 1087 R HN 0.482 nan 8.270 nan 0.000 0.442 1088 L N -0.123 121.062 121.223 -0.062 0.000 2.675 1088 L HA 0.068 4.408 4.340 0.000 0.000 0.238 1088 L C 1.097 177.930 176.870 -0.062 0.000 1.155 1088 L CA 0.541 55.341 54.840 -0.067 0.000 0.881 1088 L CB -0.069 41.935 42.059 -0.093 0.000 1.008 1088 L HN 0.553 nan 8.230 nan 0.000 0.443 1089 G N -0.757 108.012 108.800 -0.050 0.000 2.176 1089 G HA2 -0.230 3.731 3.960 0.000 0.000 0.253 1089 G HA3 -0.230 3.731 3.960 0.000 0.000 0.253 1089 G C 0.263 175.150 174.900 -0.021 0.000 0.979 1089 G CA -0.220 44.862 45.100 -0.030 0.000 0.641 1089 G HN 0.177 nan 8.290 nan 0.000 0.530 1090 K N 0.397 120.760 120.400 -0.062 0.000 2.237 1090 K HA 0.365 4.685 4.320 0.000 0.000 0.270 1090 K C 0.630 177.259 176.600 0.048 0.000 1.015 1090 K CA -0.728 55.539 56.287 -0.032 0.000 0.949 1090 K CB 0.928 33.234 32.500 -0.324 0.000 0.976 1090 K HN 0.378 nan 8.250 nan 0.000 0.472 1091 R N 1.666 122.257 120.500 0.152 0.000 2.248 1091 R HA 0.268 4.608 4.340 0.000 0.000 0.328 1091 R C -0.784 175.610 176.300 0.157 0.000 1.067 1091 R CA -0.199 55.969 56.100 0.113 0.000 0.924 1091 R CB 0.380 30.736 30.300 0.094 0.000 1.013 1091 R HN 0.369 nan 8.270 nan 0.000 0.454 1092 V N 5.456 125.418 119.914 0.079 0.000 3.120 1092 V HA 0.538 4.658 4.120 0.000 0.000 0.303 1092 V C -1.342 174.758 176.094 0.010 0.000 1.238 1092 V CA -0.791 61.556 62.300 0.077 0.000 1.008 1092 V CB 2.587 34.451 31.823 0.068 0.000 1.064 1092 V HN 0.839 nan 8.190 nan 0.000 0.434 1093 M N 3.755 123.354 119.600 -0.000 0.000 2.658 1093 M HA 0.724 5.204 4.480 0.000 0.000 0.295 1093 M C -1.524 174.763 176.300 -0.021 0.000 1.248 1093 M CA -0.912 54.356 55.300 -0.053 0.000 0.843 1093 M CB 2.468 34.998 32.600 -0.117 0.000 1.749 1093 M HN 0.492 nan 8.290 nan 0.000 0.464 1094 V N 0.081 119.980 119.914 -0.025 0.000 2.555 1094 V HA 0.512 4.633 4.120 0.000 0.000 0.302 1094 V C -1.022 175.102 176.094 0.051 0.000 1.038 1094 V CA -0.815 61.488 62.300 0.006 0.000 0.887 1094 V CB 1.679 33.501 31.823 -0.002 0.000 0.991 1094 V HN 0.916 nan 8.190 nan 0.000 0.434 1095 C N 5.572 124.915 119.300 0.071 0.000 2.322 1095 C HA 0.773 5.233 4.460 0.000 0.000 0.324 1095 C C -0.016 175.019 174.990 0.074 0.000 1.249 1095 C CA -0.485 58.617 59.018 0.139 0.000 1.453 1095 C CB -0.071 27.771 27.740 0.170 0.000 2.145 1095 C HN 0.790 nan 8.230 nan 0.000 0.466 1096 L N 2.569 123.837 121.223 0.076 0.000 2.279 1096 L HA 0.663 5.004 4.340 0.000 0.000 0.262 1096 L C 0.064 176.941 176.870 0.012 0.000 1.019 1096 L CA -0.863 53.986 54.840 0.015 0.000 0.823 1096 L CB 1.376 43.427 42.059 -0.013 0.000 1.358 1096 L HN 0.580 nan 8.230 nan 0.000 0.432 1097 R N 0.338 120.816 120.500 -0.037 0.000 2.500 1097 R HA 0.275 4.615 4.340 0.000 0.000 0.275 1097 R C -0.537 175.717 176.300 -0.076 0.000 1.051 1097 R CA -0.641 55.429 56.100 -0.049 0.000 1.088 1097 R CB 1.027 31.277 30.300 -0.085 0.000 1.063 1097 R HN 0.469 nan 8.270 nan 0.000 0.511 1098 E N 4.061 124.221 120.200 -0.066 0.000 2.229 1098 E HA 0.172 4.522 4.350 0.000 0.000 0.283 1098 E C -1.959 174.582 176.600 -0.099 0.000 1.030 1098 E CA -2.075 54.251 56.400 -0.124 0.000 0.836 1098 E CB 0.860 30.527 29.700 -0.055 0.000 1.068 1098 E HN 0.299 nan 8.360 nan 0.000 0.401 1099 P HA -0.034 nan 4.420 nan 0.000 0.272 1099 P C -0.480 176.790 177.300 -0.050 0.000 1.230 1099 P CA -0.347 62.703 63.100 -0.083 0.000 0.788 1099 P CB 1.221 32.862 31.700 -0.097 0.000 0.949 1100 S N 0.659 116.348 115.700 -0.017 0.000 2.580 1100 S HA 0.068 4.539 4.470 0.000 0.000 0.274 1100 S C 1.220 175.829 174.600 0.014 0.000 1.329 1100 S CA -0.712 57.494 58.200 0.010 0.000 1.036 1100 S CB -0.099 63.133 63.200 0.053 0.000 0.919 1100 S HN 0.443 nan 8.310 nan 0.000 0.515 1101 L N 6.249 127.488 121.223 0.026 0.000 2.056 1101 L HA 0.215 4.555 4.340 0.000 0.000 0.207 1101 L C 2.272 179.239 176.870 0.162 0.000 1.078 1101 L CA 2.540 57.423 54.840 0.072 0.000 0.749 1101 L CB -1.454 40.638 42.059 0.056 0.000 0.901 1101 L HN 0.905 nan 8.230 nan 0.000 0.433 1102 G N 0.120 108.999 108.800 0.132 0.000 2.599 1102 G HA2 -0.304 3.657 3.960 0.000 0.000 0.219 1102 G HA3 -0.304 3.657 3.960 0.000 0.000 0.219 1102 G C -0.450 174.549 174.900 0.165 0.000 1.193 1102 G CA 1.206 46.401 45.100 0.158 0.000 0.778 1102 G HN 0.403 nan 8.290 nan 0.000 0.589 1103 P HA -0.054 nan 4.420 nan 0.000 0.218 1103 P C 2.106 179.397 177.300 -0.015 0.000 1.146 1103 P CA 1.586 64.707 63.100 0.035 0.000 0.813 1103 P CB -0.127 31.576 31.700 0.006 0.000 0.778 1104 S N -1.901 113.765 115.700 -0.057 0.000 2.440 1104 S HA -0.102 4.368 4.470 0.000 0.000 0.238 1104 S C 1.141 175.420 174.600 -0.536 0.000 1.010 1104 S CA 1.188 59.207 58.200 -0.303 0.000 0.972 1104 S CB -0.836 62.118 63.200 -0.410 0.000 0.774 1104 S HN 0.204 nan 8.310 nan 0.000 0.501 1105 F N 0.073 120.015 119.950 -0.014 0.000 2.720 1105 F HA 0.358 4.885 4.527 0.000 0.000 0.301 1105 F C 2.125 177.920 175.800 -0.009 0.000 1.103 1105 F CA -0.010 57.984 58.000 -0.010 0.000 1.291 1105 F CB -0.350 38.644 39.000 -0.009 0.000 1.086 1105 F HN 0.193 nan 8.300 nan 0.000 0.592 1106 G N 1.029 109.897 108.800 0.112 0.000 2.564 1106 G HA2 0.044 4.004 3.960 0.000 0.000 0.212 1106 G HA3 0.044 4.004 3.960 0.000 0.000 0.212 1106 G C 1.225 176.138 174.900 0.020 0.000 1.199 1106 G CA 0.620 45.760 45.100 0.067 0.000 0.832 1106 G HN 0.349 nan 8.290 nan 0.000 0.565 1107 I N -2.882 117.687 120.570 -0.002 0.000 3.877 1107 I HA 0.508 4.679 4.170 0.000 0.000 0.332 1107 I C -0.489 175.602 176.117 -0.044 0.000 1.525 1107 I CA -0.632 60.656 61.300 -0.020 0.000 1.146 1107 I CB -0.052 37.939 38.000 -0.016 0.000 1.137 1107 I HN -0.109 nan 8.210 nan 0.000 0.424 1108 K N 1.316 121.673 120.400 -0.073 0.000 7.055 1108 K HA -0.073 4.247 4.320 0.000 0.000 0.623 1108 K C 0.179 176.713 176.600 -0.110 0.000 2.571 1108 K CA 0.497 56.719 56.287 -0.108 0.000 1.982 1108 K CB -0.573 31.881 32.500 -0.076 0.000 2.344 1108 K HN 0.620 nan 8.250 nan 0.000 0.202 1109 G N 1.652 110.363 108.800 -0.150 0.000 2.432 1109 G HA2 0.541 4.501 3.960 0.000 0.000 0.257 1109 G HA3 0.541 4.501 3.960 0.000 0.000 0.257 1109 G C 0.414 175.261 174.900 -0.090 0.000 1.238 1109 G CA 0.127 45.152 45.100 -0.125 0.000 0.838 1109 G HN 0.662 nan 8.290 nan 0.000 0.547 1110 G N -0.495 108.261 108.800 -0.073 0.000 2.613 1110 G HA2 0.736 4.696 3.960 0.000 0.000 0.303 1110 G HA3 0.736 4.696 3.960 0.000 0.000 0.303 1110 G C -0.110 174.757 174.900 -0.055 0.000 1.312 1110 G CA 0.006 45.073 45.100 -0.054 0.000 1.036 1110 G HN 1.038 nan 8.290 nan 0.000 0.513 1111 A N -1.053 121.745 122.820 -0.038 0.000 2.279 1111 A HA 0.665 4.986 4.320 0.000 0.000 0.303 1111 A C 0.743 178.301 177.584 -0.043 0.000 1.108 1111 A CA 0.125 52.138 52.037 -0.040 0.000 0.830 1111 A CB 0.845 19.831 19.000 -0.024 0.000 1.106 1111 A HN 1.728 nan 8.150 nan 0.000 0.493 1112 A N 0.952 123.739 122.820 -0.054 0.000 3.048 1112 A HA 0.538 4.858 4.320 0.000 0.000 0.264 1112 A C 1.133 178.698 177.584 -0.032 0.000 1.796 1112 A CA 0.889 52.890 52.037 -0.060 0.000 1.445 1112 A CB -1.556 17.396 19.000 -0.079 0.000 1.074 1112 A HN 2.609 nan 8.150 nan 0.000 0.621 1113 G N -0.558 108.233 108.800 -0.014 0.000 2.130 1113 G HA2 0.499 4.459 3.960 0.000 0.000 0.151 1113 G HA3 0.499 4.459 3.960 0.000 0.000 0.151 1113 G C 0.232 175.170 174.900 0.062 0.000 1.173 1113 G CA 0.000 45.112 45.100 0.019 0.000 1.278 1113 G HN 2.333 nan 8.290 nan 0.000 0.479 1114 G N -1.812 107.049 108.800 0.102 0.000 2.377 1114 G HA2 0.687 4.647 3.960 0.000 0.000 0.297 1114 G HA3 0.687 4.647 3.960 0.000 0.000 0.297 1114 G C 1.040 176.023 174.900 0.139 0.000 1.547 1114 G CA 1.283 46.510 45.100 0.211 0.000 0.833 1114 G HN 2.562 nan 8.290 nan 0.000 0.583 1115 G N 0.039 108.793 108.800 -0.076 0.000 2.672 1115 G HA2 -0.305 3.655 3.960 0.000 0.000 0.324 1115 G HA3 -0.305 3.655 3.960 0.000 0.000 0.324 1115 G C 0.836 175.357 174.900 -0.632 0.000 1.286 1115 G CA 1.407 45.991 45.100 -0.859 0.000 1.004 1115 G HN 1.408 nan 8.290 nan 0.000 0.548 1116 Y N 2.020 122.110 120.300 -0.351 0.000 2.495 1116 Y HA 0.509 5.059 4.550 0.000 0.000 0.293 1116 Y C 1.651 177.492 175.900 -0.098 0.000 1.186 1116 Y CA 0.544 58.529 58.100 -0.192 0.000 1.266 1116 Y CB 0.261 38.607 38.460 -0.191 0.000 1.101 1116 Y HN 0.728 nan 8.280 nan 0.000 0.517 1117 A N 1.703 124.541 122.820 0.030 0.000 2.802 1117 A HA 0.545 4.865 4.320 0.000 0.000 0.344 1117 A C -0.425 177.176 177.584 0.028 0.000 1.215 1117 A CA -0.475 51.593 52.037 0.051 0.000 0.821 1117 A CB -0.132 18.918 19.000 0.084 0.000 1.099 1117 A HN 0.424 nan 8.150 nan 0.000 0.479 1118 Q N -0.263 119.542 119.800 0.008 0.000 2.482 1118 Q HA 0.693 5.033 4.340 0.000 0.000 0.286 1118 Q C -1.790 174.205 176.000 -0.009 0.000 1.007 1118 Q CA -0.981 54.818 55.803 -0.006 0.000 0.801 1118 Q CB 1.773 30.498 28.738 -0.023 0.000 1.455 1118 Q HN 0.116 nan 8.270 nan 0.000 0.398 1119 V N 1.972 121.877 119.914 -0.016 0.000 2.407 1119 V HA 0.513 4.633 4.120 0.000 0.000 0.278 1119 V C 0.180 176.266 176.094 -0.014 0.000 1.037 1119 V CA -0.382 61.912 62.300 -0.010 0.000 0.900 1119 V CB 1.147 32.963 31.823 -0.012 0.000 0.983 1119 V HN 0.631 nan 8.190 nan 0.000 0.459 1120 V N 3.798 123.715 119.914 0.004 0.000 3.103 1120 V HA 0.753 4.873 4.120 0.000 0.000 0.318 1120 V C -2.585 173.545 176.094 0.059 0.000 1.114 1120 V CA -2.774 59.529 62.300 0.005 0.000 1.020 1120 V CB 1.986 33.794 31.823 -0.025 0.000 1.085 1120 V HN 0.676 nan 8.190 nan 0.000 0.446 1121 P HA 0.152 nan 4.420 nan 0.000 0.276 1121 P C 0.671 177.993 177.300 0.037 0.000 1.264 1121 P CA 0.037 63.162 63.100 0.042 0.000 0.769 1121 P CB 1.175 32.919 31.700 0.074 0.000 0.840 1122 M N 3.664 123.259 119.600 -0.008 0.000 2.163 1122 M HA -0.259 4.221 4.480 0.000 0.000 0.258 1122 M C 1.871 178.160 176.300 -0.018 0.000 1.071 1122 M CA 2.172 57.454 55.300 -0.030 0.000 1.093 1122 M CB -0.453 32.123 32.600 -0.041 0.000 1.285 1122 M HN 0.331 nan 8.290 nan 0.000 0.420 1123 E N 0.108 120.308 120.200 -0.001 0.000 2.065 1123 E HA -0.273 4.077 4.350 0.000 0.000 0.201 1123 E C 1.549 178.183 176.600 0.056 0.000 1.016 1123 E CA 2.075 58.483 56.400 0.014 0.000 0.818 1123 E CB -0.275 29.440 29.700 0.025 0.000 0.749 1123 E HN 0.607 nan 8.360 nan 0.000 0.453 1124 D N 0.263 120.732 120.400 0.115 0.000 2.123 1124 D HA -0.154 4.486 4.640 0.000 0.000 0.196 1124 D C 1.888 178.328 176.300 0.233 0.000 0.992 1124 D CA 0.931 55.063 54.000 0.220 0.000 0.833 1124 D CB -0.224 40.756 40.800 0.300 0.000 0.954 1124 D HN 0.220 nan 8.370 nan 0.000 0.455 1125 I N 0.437 121.046 120.570 0.065 0.000 2.454 1125 I HA -0.222 3.948 4.170 0.000 0.000 0.254 1125 I C 1.311 177.320 176.117 -0.181 0.000 1.156 1125 I CA 0.895 62.024 61.300 -0.286 0.000 1.433 1125 I CB -0.189 37.562 38.000 -0.416 0.000 1.082 1125 I HN -0.062 nan 8.210 nan 0.000 0.432 1126 N N -0.182 118.469 118.700 -0.082 0.000 2.422 1126 N HA 0.134 4.875 4.740 0.000 0.000 0.181 1126 N C 0.970 176.457 175.510 -0.039 0.000 1.080 1126 N CA 0.578 53.583 53.050 -0.076 0.000 0.893 1126 N CB 0.307 38.743 38.487 -0.086 0.000 0.973 1126 N HN 0.235 nan 8.380 nan 0.000 0.456 1127 L N -1.107 120.122 121.223 0.010 0.000 2.638 1127 L HA 0.212 4.552 4.340 0.000 0.000 0.205 1127 L C 1.446 178.316 176.870 0.000 0.000 1.696 1127 L CA -0.579 54.259 54.840 -0.003 0.000 3.037 1127 L CB -0.321 41.769 42.059 0.051 0.000 2.844 1127 L HN 0.153 nan 8.230 nan 0.000 0.836 1128 H N -0.616 118.586 119.070 0.219 0.000 2.502 1128 H HA -0.038 4.519 4.556 0.000 0.000 0.283 1128 H C 0.925 176.408 175.328 0.258 0.000 1.015 1128 H CA 0.766 56.961 56.048 0.244 0.000 1.298 1128 H CB 0.233 30.177 29.762 0.303 0.000 1.411 1128 H HN 0.312 nan 8.280 nan 0.000 0.556 1129 F N 0.720 120.766 119.950 0.160 0.000 2.636 1129 F HA -0.457 4.070 4.527 0.000 0.000 0.222 1129 F C 1.801 177.647 175.800 0.077 0.000 1.471 1129 F CA 2.843 60.896 58.000 0.088 0.000 1.965 1129 F CB -1.186 37.833 39.000 0.032 0.000 0.463 1129 F HN 0.212 nan 8.300 nan 0.000 0.244 1130 T N -1.204 113.164 114.554 -0.311 0.000 3.182 1130 T HA 0.523 4.873 4.350 0.000 0.000 0.277 1130 T C 1.095 175.726 174.700 -0.114 0.000 1.013 1130 T CA 0.721 62.542 62.100 -0.465 0.000 0.900 1130 T CB -0.122 68.110 68.868 -1.060 0.000 1.098 1130 T HN 2.083 nan 8.240 nan 0.000 0.543 1131 G N 1.621 110.490 108.800 0.114 0.000 2.148 1131 G HA2 -0.272 3.689 3.960 0.000 0.000 0.254 1131 G HA3 -0.272 3.689 3.960 0.000 0.000 0.254 1131 G C 0.513 175.506 174.900 0.155 0.000 0.981 1131 G CA 0.307 45.547 45.100 0.233 0.000 0.670 1131 G HN 0.515 nan 8.290 nan 0.000 0.528 1132 D N 0.361 120.824 120.400 0.104 0.000 2.097 1132 D HA -0.054 4.587 4.640 0.000 0.000 0.195 1132 D C 2.677 179.043 176.300 0.111 0.000 0.989 1132 D CA 1.222 55.299 54.000 0.130 0.000 0.827 1132 D CB -0.190 40.715 40.800 0.176 0.000 0.966 1132 D HN 0.560 nan 8.370 nan 0.000 0.456 1133 I N 0.857 121.445 120.570 0.031 0.000 2.361 1133 I HA -0.251 3.919 4.170 0.000 0.000 0.251 1133 I C 2.222 178.371 176.117 0.053 0.000 1.133 1133 I CA 0.981 62.277 61.300 -0.007 0.000 1.413 1133 I CB -0.336 37.609 38.000 -0.092 0.000 1.073 1133 I HN 0.100 nan 8.210 nan 0.000 0.424 1134 H N 0.839 120.029 119.070 0.200 0.000 2.421 1134 H HA -0.027 4.529 4.556 0.000 0.000 0.298 1134 H C 2.379 177.877 175.328 0.283 0.000 1.087 1134 H CA 1.422 57.624 56.048 0.256 0.000 1.330 1134 H CB -0.305 29.591 29.762 0.222 0.000 1.388 1134 H HN 0.367 nan 8.280 nan 0.000 0.526 1135 A N 0.672 123.680 122.820 0.313 0.000 1.873 1135 A HA -0.098 4.222 4.320 0.000 0.000 0.215 1135 A C 2.851 180.590 177.584 0.258 0.000 1.186 1135 A CA 1.511 53.705 52.037 0.261 0.000 0.616 1135 A CB -0.874 18.249 19.000 0.205 0.000 0.823 1135 A HN 0.210 nan 8.150 nan 0.000 0.442 1136 V N -0.002 120.039 119.914 0.213 0.000 2.287 1136 V HA -0.259 3.861 4.120 0.000 0.000 0.248 1136 V C 2.786 178.983 176.094 0.172 0.000 1.053 1136 V CA 2.566 64.975 62.300 0.182 0.000 1.027 1136 V CB -1.269 30.631 31.823 0.128 0.000 0.646 1136 V HN 0.638 nan 8.190 nan 0.000 0.447 1137 T N -1.010 113.640 114.554 0.160 0.000 2.684 1137 T HA -0.242 4.109 4.350 0.000 0.000 0.267 1137 T C 1.764 176.481 174.700 0.028 0.000 1.036 1137 T CA 2.170 64.311 62.100 0.069 0.000 1.148 1137 T CB -0.388 68.546 68.868 0.110 0.000 0.863 1137 T HN 0.495 nan 8.240 nan 0.000 0.436 1138 Y N 1.021 121.401 120.300 0.135 0.000 2.337 1138 Y HA 0.226 4.777 4.550 0.000 0.000 0.293 1138 Y C 2.637 178.601 175.900 0.107 0.000 1.123 1138 Y CA 0.325 58.495 58.100 0.118 0.000 1.201 1138 Y CB -0.651 37.871 38.460 0.103 0.000 1.011 1138 Y HN 0.187 nan 8.280 nan 0.000 0.545 1139 A N -0.382 122.575 122.820 0.228 0.000 1.858 1139 A HA -0.264 4.056 4.320 0.000 0.000 0.216 1139 A C 2.174 179.804 177.584 0.076 0.000 1.190 1139 A CA 2.017 54.117 52.037 0.105 0.000 0.617 1139 A CB -1.087 17.949 19.000 0.061 0.000 0.827 1139 A HN 0.548 nan 8.150 nan 0.000 0.443 1140 H N 0.341 119.441 119.070 0.050 0.000 2.353 1140 H HA -0.091 4.465 4.556 0.001 0.000 0.300 1140 H C 1.568 176.997 175.328 0.168 0.000 1.090 1140 H CA 1.905 58.050 56.048 0.161 0.000 1.327 1140 H CB -0.131 29.649 29.762 0.031 0.000 1.383 1140 H HN 0.387 nan 8.280 nan 0.000 0.508 1141 N N 0.646 119.497 118.700 0.252 0.000 2.354 1141 N HA -0.096 4.644 4.740 0.000 0.000 0.179 1141 N C 2.152 177.716 175.510 0.090 0.000 1.021 1141 N CA 0.459 53.583 53.050 0.124 0.000 0.887 1141 N CB -0.295 38.147 38.487 -0.074 0.000 0.974 1141 N HN 0.298 nan 8.380 nan 0.000 0.437 1142 L N 0.733 122.009 121.223 0.088 0.000 2.046 1142 L HA -0.022 4.318 4.340 0.000 0.000 0.208 1142 L C 1.913 178.794 176.870 0.018 0.000 1.077 1142 L CA 1.245 56.123 54.840 0.063 0.000 0.747 1142 L CB -0.797 41.303 42.059 0.069 0.000 0.896 1142 L HN 0.054 nan 8.230 nan 0.000 0.432 1143 L N -0.035 121.177 121.223 -0.018 0.000 2.083 1143 L HA -0.054 4.286 4.340 0.000 0.000 0.209 1143 L C 2.505 179.343 176.870 -0.054 0.000 1.083 1143 L CA 2.022 56.774 54.840 -0.146 0.000 0.752 1143 L CB -1.211 40.596 42.059 -0.421 0.000 0.899 1143 L HN 0.308 nan 8.230 nan 0.000 0.433 1144 A N -0.469 122.443 122.820 0.153 0.000 1.877 1144 A HA -0.115 4.205 4.320 0.000 0.000 0.216 1144 A C 2.447 180.072 177.584 0.069 0.000 1.186 1144 A CA 1.862 54.015 52.037 0.193 0.000 0.620 1144 A CB -1.205 17.886 19.000 0.152 0.000 0.822 1144 A HN 0.546 nan 8.150 nan 0.000 0.443 1145 A N -0.828 122.022 122.820 0.050 0.000 1.972 1145 A HA -0.085 4.235 4.320 0.000 0.000 0.219 1145 A C 2.202 179.806 177.584 0.033 0.000 1.169 1145 A CA 1.751 53.812 52.037 0.040 0.000 0.635 1145 A CB -0.518 18.509 19.000 0.045 0.000 0.810 1145 A HN 0.546 nan 8.150 nan 0.000 0.446 1146 M N -0.951 118.656 119.600 0.012 0.000 2.349 1146 M HA -0.066 4.414 4.480 0.000 0.000 0.266 1146 M C 1.917 178.223 176.300 0.011 0.000 1.076 1146 M CA 0.783 56.086 55.300 0.005 0.000 1.126 1146 M CB -0.132 32.447 32.600 -0.037 0.000 1.392 1146 M HN 0.252 nan 8.290 nan 0.000 0.440 1147 V N 0.180 120.086 119.914 -0.012 0.000 2.323 1147 V HA -0.243 3.878 4.120 0.000 0.000 0.244 1147 V C 1.746 177.871 176.094 0.053 0.000 1.041 1147 V CA 1.738 64.032 62.300 -0.011 0.000 1.025 1147 V CB -0.556 31.256 31.823 -0.018 0.000 0.656 1147 V HN 0.402 nan 8.190 nan 0.000 0.451 1148 D N -0.168 120.263 120.400 0.051 0.000 2.183 1148 D HA -0.136 4.504 4.640 0.000 0.000 0.203 1148 D C 2.064 178.402 176.300 0.062 0.000 0.969 1148 D CA 0.921 54.954 54.000 0.056 0.000 0.842 1148 D CB -0.268 40.559 40.800 0.045 0.000 0.957 1148 D HN 0.460 nan 8.370 nan 0.000 0.484 1149 N N 0.652 119.391 118.700 0.065 0.000 2.216 1149 N HA -0.182 4.559 4.740 0.000 0.000 0.183 1149 N C 1.761 177.313 175.510 0.070 0.000 1.017 1149 N CA 0.697 53.781 53.050 0.057 0.000 0.861 1149 N CB -0.150 38.367 38.487 0.051 0.000 0.986 1149 N HN 0.270 nan 8.380 nan 0.000 0.428 1150 H N 0.971 120.041 119.070 -0.000 0.000 2.457 1150 H HA 0.015 4.571 4.556 -0.000 0.000 0.294 1150 H C 2.073 177.407 175.328 0.010 0.000 1.064 1150 H CA 0.687 56.734 56.048 -0.001 0.000 1.330 1150 H CB 0.266 30.019 29.762 -0.015 0.000 1.395 1150 H HN 0.260 nan 8.280 nan 0.000 0.541 1151 L N 0.155 121.447 121.223 0.116 0.000 2.068 1151 L HA -0.146 4.194 4.340 0.000 0.000 0.204 1151 L C 2.819 179.699 176.870 0.018 0.000 1.076 1151 L CA 1.177 56.063 54.840 0.077 0.000 0.753 1151 L CB -0.449 41.660 42.059 0.084 0.000 0.910 1151 L HN 0.221 nan 8.230 nan 0.000 0.439 1152 Q N 0.183 119.995 119.800 0.020 0.000 2.152 1152 Q HA -0.236 4.104 4.340 0.000 0.000 0.206 1152 Q C 2.000 177.987 176.000 -0.021 0.000 0.985 1152 Q CA 1.588 57.395 55.803 0.007 0.000 0.863 1152 Q CB -0.093 28.654 28.738 0.016 0.000 0.904 1152 Q HN 0.318 nan 8.270 nan 0.000 0.422 1153 Q N -1.255 118.512 119.800 -0.055 0.000 2.466 1153 Q HA 0.156 4.496 4.340 0.000 0.000 0.210 1153 Q C 0.725 176.655 176.000 -0.115 0.000 0.961 1153 Q CA 0.900 56.651 55.803 -0.087 0.000 0.953 1153 Q CB 0.519 29.191 28.738 -0.110 0.000 1.011 1153 Q HN 0.589 nan 8.270 nan 0.000 0.516 1154 G N 1.181 109.920 108.800 -0.102 0.000 2.205 1154 G HA2 -0.239 3.721 3.960 0.000 0.000 0.180 1154 G HA3 -0.239 3.721 3.960 0.000 0.000 0.180 1154 G C 0.214 175.060 174.900 -0.089 0.000 1.004 1154 G CA -0.230 44.821 45.100 -0.083 0.000 0.670 1154 G HN 0.265 nan 8.290 nan 0.000 0.496 1155 N N -0.381 118.223 118.700 -0.158 0.000 2.669 1155 N HA -0.179 4.562 4.740 0.000 0.000 0.266 1155 N C 1.453 176.968 175.510 0.008 0.000 1.024 1155 N CA 1.091 54.107 53.050 -0.057 0.000 0.766 1155 N CB -1.053 37.495 38.487 0.102 0.000 0.898 1155 N HN 0.782 nan 8.380 nan 0.000 0.548 1156 V N 1.330 121.180 119.914 -0.107 0.000 2.343 1156 V HA -0.213 3.908 4.120 0.000 0.000 0.247 1156 V C 2.374 178.571 176.094 0.172 0.000 1.051 1156 V CA 1.843 64.168 62.300 0.041 0.000 1.036 1156 V CB -0.248 31.589 31.823 0.023 0.000 0.654 1156 V HN 0.556 nan 8.190 nan 0.000 0.451 1157 L N 0.040 121.485 121.223 0.369 0.000 2.551 1157 L HA 0.021 4.361 4.340 0.000 0.000 0.228 1157 L C 1.086 178.050 176.870 0.156 0.000 1.153 1157 L CA 0.658 55.618 54.840 0.200 0.000 0.851 1157 L CB -0.769 41.327 42.059 0.062 0.000 0.959 1157 L HN 0.580 nan 8.230 nan 0.000 0.451 1158 N N 0.626 119.447 118.700 0.201 0.000 2.727 1158 N HA -0.213 4.527 4.740 0.000 0.000 0.251 1158 N C -0.414 175.200 175.510 0.173 0.000 1.040 1158 N CA 0.238 53.431 53.050 0.238 0.000 0.712 1158 N CB -1.034 37.593 38.487 0.233 0.000 0.912 1158 N HN 0.270 nan 8.380 nan 0.000 0.545 1159 I N -0.233 120.383 120.570 0.078 0.000 2.519 1159 I HA 0.107 4.277 4.170 0.000 0.000 0.287 1159 I C 0.722 176.627 176.117 -0.354 0.000 1.047 1159 I CA -0.481 60.764 61.300 -0.092 0.000 1.381 1159 I CB 0.760 38.734 38.000 -0.043 0.000 1.417 1159 I HN 0.221 nan 8.210 nan 0.000 0.540 1160 D N 8.298 128.356 120.400 -0.570 0.000 2.393 1160 D HA 0.168 4.808 4.640 0.000 0.000 0.232 1160 D C -1.696 174.457 176.300 -0.243 0.000 1.192 1160 D CA -2.085 51.460 54.000 -0.758 0.000 0.882 1160 D CB 1.471 41.871 40.800 -0.666 0.000 1.038 1160 D HN 0.186 nan 8.370 nan 0.000 0.499 1161 P HA -0.163 nan 4.420 nan 0.000 0.217 1161 P C 0.926 178.221 177.300 -0.008 0.000 1.151 1161 P CA 1.193 64.280 63.100 -0.022 0.000 0.849 1161 P CB 0.205 31.919 31.700 0.025 0.000 0.787 1162 R N -1.154 119.337 120.500 -0.015 0.000 2.328 1162 R HA -0.005 4.336 4.340 0.000 0.000 0.207 1162 R C 1.615 177.920 176.300 0.008 0.000 1.056 1162 R CA 1.571 57.675 56.100 0.006 0.000 1.016 1162 R CB -0.798 29.511 30.300 0.015 0.000 0.872 1162 R HN 0.357 nan 8.270 nan 0.000 0.471 1163 T N -2.773 111.784 114.554 0.004 0.000 3.054 1163 T HA 0.273 4.623 4.350 0.000 0.000 0.255 1163 T C 0.660 175.431 174.700 0.118 0.000 1.035 1163 T CA -0.368 61.768 62.100 0.059 0.000 0.941 1163 T CB 0.110 69.025 68.868 0.079 0.000 1.026 1163 T HN -0.050 nan 8.240 nan 0.000 0.533 1164 I N 3.804 124.415 120.570 0.068 0.000 2.662 1164 I HA 0.079 4.250 4.170 0.000 0.000 0.285 1164 I C 1.757 177.933 176.117 0.099 0.000 1.161 1164 I CA 0.137 61.482 61.300 0.074 0.000 1.415 1164 I CB 1.058 39.088 38.000 0.049 0.000 1.385 1164 I HN 0.368 nan 8.210 nan 0.000 0.552 1165 T N 2.018 116.652 114.554 0.133 0.000 3.022 1165 T HA -0.012 4.338 4.350 0.000 0.000 0.250 1165 T C 0.444 175.238 174.700 0.157 0.000 1.060 1165 T CA -0.272 61.911 62.100 0.137 0.000 1.013 1165 T CB 0.085 69.053 68.868 0.167 0.000 0.982 1165 T HN 0.563 nan 8.240 nan 0.000 0.508 1166 W N 4.229 125.490 121.300 -0.064 0.000 2.605 1166 W HA 0.284 4.944 4.660 0.001 0.000 0.327 1166 W C -0.040 176.435 176.519 -0.073 0.000 1.332 1166 W CA -0.907 56.378 57.345 -0.101 0.000 1.403 1166 W CB 0.397 29.752 29.460 -0.174 0.000 1.452 1166 W HN 0.214 nan 8.180 nan 0.000 0.503 1167 R N 3.219 123.512 120.500 -0.346 0.000 2.527 1167 R HA 0.509 4.850 4.340 0.000 0.000 0.236 1167 R C 0.051 176.088 176.300 -0.438 0.000 1.257 1167 R CA -0.768 55.144 56.100 -0.314 0.000 1.088 1167 R CB 0.704 30.845 30.300 -0.266 0.000 1.396 1167 R HN 0.387 nan 8.270 nan 0.000 0.571 1168 R N -0.583 119.574 120.500 -0.573 0.000 2.797 1168 R HA 0.591 4.931 4.340 0.000 0.000 0.251 1168 R C -1.264 174.529 176.300 -0.845 0.000 1.107 1168 R CA -0.665 54.951 56.100 -0.807 0.000 1.084 1168 R CB 1.626 30.995 30.300 -1.551 0.000 1.205 1168 R HN 0.287 nan 8.270 nan 0.000 0.515 1169 V N 1.605 121.095 119.914 -0.706 0.000 3.114 1169 V HA 0.701 4.821 4.120 0.000 0.000 0.308 1169 V C -1.512 174.600 176.094 0.030 0.000 1.168 1169 V CA -0.692 61.363 62.300 -0.409 0.000 1.015 1169 V CB 2.152 33.468 31.823 -0.846 0.000 1.050 1169 V HN 0.725 nan 8.190 nan 0.000 0.433 1170 I N 2.037 122.634 120.570 0.045 0.000 2.771 1170 I HA 0.445 4.615 4.170 0.000 0.000 0.291 1170 I C -1.056 175.064 176.117 0.005 0.000 1.527 1170 I CA -0.057 61.275 61.300 0.054 0.000 1.024 1170 I CB 2.277 40.312 38.000 0.058 0.000 1.388 1170 I HN 0.599 nan 8.210 nan 0.000 0.447 1171 D N 6.138 126.550 120.400 0.021 0.000 2.690 1171 D HA 0.386 5.026 4.640 0.000 0.000 0.236 1171 D C -0.831 175.486 176.300 0.028 0.000 1.218 1171 D CA 0.506 54.519 54.000 0.021 0.000 0.829 1171 D CB -0.332 40.488 40.800 0.034 0.000 1.009 1171 D HN 0.400 nan 8.370 nan 0.000 0.482 1172 L N -0.121 121.107 121.223 0.008 0.000 2.350 1172 L HA 0.415 4.755 4.340 0.000 0.000 0.260 1172 L C 0.018 176.894 176.870 0.011 0.000 1.015 1172 L CA -1.146 53.697 54.840 0.005 0.000 0.821 1172 L CB 1.763 43.792 42.059 -0.049 0.000 1.370 1172 L HN -0.277 nan 8.230 nan 0.000 0.416 1173 N N 2.234 120.952 118.700 0.029 0.000 2.439 1173 N HA 0.148 4.889 4.740 0.000 0.000 0.243 1173 N C -0.879 174.632 175.510 0.002 0.000 1.088 1173 N CA 0.070 53.139 53.050 0.031 0.000 0.940 1173 N CB 0.861 39.378 38.487 0.049 0.000 1.180 1173 N HN 0.516 nan 8.380 nan 0.000 0.505 1174 E N 2.108 122.299 120.200 -0.014 0.000 2.460 1174 E HA 0.185 4.535 4.350 0.000 0.000 0.249 1174 E C 0.539 177.123 176.600 -0.028 0.000 0.962 1174 E CA -0.436 55.941 56.400 -0.038 0.000 0.787 1174 E CB 0.715 30.361 29.700 -0.090 0.000 1.341 1174 E HN 0.298 nan 8.360 nan 0.000 0.407 1175 R N 2.070 122.564 120.500 -0.011 0.000 2.112 1175 R HA -0.244 4.096 4.340 0.000 0.000 0.242 1175 R C 2.012 178.307 176.300 -0.009 0.000 1.137 1175 R CA 1.928 58.028 56.100 -0.001 0.000 0.944 1175 R CB -0.311 29.989 30.300 0.001 0.000 0.857 1175 R HN 0.575 nan 8.270 nan 0.000 0.435 1176 A N 0.906 123.711 122.820 -0.026 0.000 2.054 1176 A HA -0.180 4.140 4.320 0.000 0.000 0.223 1176 A C 1.936 179.500 177.584 -0.034 0.000 1.169 1176 A CA 1.472 53.490 52.037 -0.032 0.000 0.655 1176 A CB -0.508 18.462 19.000 -0.049 0.000 0.812 1176 A HN 0.272 nan 8.150 nan 0.000 0.462 1177 L N -1.633 119.559 121.223 -0.051 0.000 2.592 1177 L HA 0.081 4.421 4.340 0.000 0.000 0.227 1177 L C 2.344 179.267 176.870 0.090 0.000 1.127 1177 L CA -0.129 54.696 54.840 -0.025 0.000 0.884 1177 L CB -0.241 41.684 42.059 -0.224 0.000 1.065 1177 L HN 0.340 nan 8.230 nan 0.000 0.457 1178 R N 0.678 121.209 120.500 0.052 0.000 2.080 1178 R HA -0.037 4.303 4.340 0.000 0.000 0.236 1178 R C 0.133 176.468 176.300 0.059 0.000 1.137 1178 R CA 0.955 57.089 56.100 0.057 0.000 0.943 1178 R CB -0.085 30.236 30.300 0.036 0.000 0.846 1178 R HN 0.375 nan 8.270 nan 0.000 0.431 1179 N N 0.643 119.372 118.700 0.049 0.000 2.399 1179 N HA 0.350 5.090 4.740 0.000 0.000 0.284 1179 N C -0.549 174.991 175.510 0.050 0.000 1.025 1179 N CA -0.342 52.735 53.050 0.045 0.000 0.885 1179 N CB 2.358 40.864 38.487 0.031 0.000 1.339 1179 N HN 0.150 nan 8.380 nan 0.000 0.487 1180 I N -2.499 118.106 120.570 0.060 0.000 3.181 1180 I HA 0.664 4.835 4.170 0.000 0.000 0.311 1180 I C -1.436 174.714 176.117 0.054 0.000 1.287 1180 I CA -1.035 60.302 61.300 0.062 0.000 0.958 1180 I CB 2.196 40.255 38.000 0.099 0.000 1.294 1180 I HN -0.015 nan 8.210 nan 0.000 0.467 1181 V N 3.974 123.918 119.914 0.050 0.000 2.487 1181 V HA 0.515 4.635 4.120 0.000 0.000 0.298 1181 V C -0.117 176.007 176.094 0.048 0.000 1.028 1181 V CA -0.454 61.872 62.300 0.043 0.000 0.860 1181 V CB 1.502 33.346 31.823 0.034 0.000 0.991 1181 V HN 0.435 nan 8.190 nan 0.000 0.427 1182 I N 2.411 123.009 120.570 0.048 0.000 3.062 1182 I HA 0.631 4.801 4.170 0.000 0.000 0.316 1182 I C 1.346 177.488 176.117 0.042 0.000 1.041 1182 I CA -0.098 61.232 61.300 0.050 0.000 1.069 1182 I CB 1.173 39.202 38.000 0.047 0.000 1.300 1182 I HN 0.867 nan 8.210 nan 0.000 0.518 1183 G N 2.626 111.451 108.800 0.041 0.000 2.305 1183 G HA2 -0.215 3.745 3.960 0.000 0.000 0.287 1183 G HA3 -0.215 3.745 3.960 0.000 0.000 0.287 1183 G C -0.052 174.868 174.900 0.033 0.000 1.036 1183 G CA 0.173 45.295 45.100 0.037 0.000 0.887 1183 G HN 0.393 nan 8.290 nan 0.000 0.505 1184 L N -1.466 119.776 121.223 0.031 0.000 2.431 1184 L HA 0.721 5.062 4.340 0.000 0.000 0.260 1184 L C 1.721 178.605 176.870 0.024 0.000 1.098 1184 L CA 0.219 55.075 54.840 0.027 0.000 0.800 1184 L CB 1.418 43.492 42.059 0.026 0.000 1.210 1184 L HN 0.845 nan 8.230 nan 0.000 0.465 1185 G N -0.232 108.580 108.800 0.021 0.000 2.231 1185 G HA2 0.141 4.101 3.960 0.000 0.000 0.206 1185 G HA3 0.141 4.101 3.960 0.000 0.000 0.206 1185 G C 0.339 175.249 174.900 0.017 0.000 0.996 1185 G CA -0.146 44.965 45.100 0.018 0.000 0.645 1185 G HN 1.441 nan 8.290 nan 0.000 0.498 1186 G N -0.371 108.439 108.800 0.018 0.000 2.381 1186 G HA2 0.431 4.392 3.960 0.000 0.000 0.672 1186 G HA3 0.431 4.392 3.960 0.000 0.000 0.672 1186 G C 0.516 175.426 174.900 0.017 0.000 1.324 1186 G CA 0.464 45.574 45.100 0.016 0.000 0.975 1186 G HN 1.343 nan 8.290 nan 0.000 0.593 1187 K N -0.775 119.634 120.400 0.014 0.000 2.360 1187 K HA 0.168 4.488 4.320 0.000 0.000 0.201 1187 K C 1.977 178.585 176.600 0.014 0.000 1.046 1187 K CA 2.185 58.481 56.287 0.014 0.000 0.940 1187 K CB -0.000 32.506 32.500 0.011 0.000 0.748 1187 K HN 1.179 nan 8.250 nan 0.000 0.465 1188 A N 1.184 124.013 122.820 0.014 0.000 2.238 1188 A HA 0.086 4.406 4.320 0.000 0.000 0.210 1188 A C 0.724 178.318 177.584 0.017 0.000 1.179 1188 A CA 0.044 52.090 52.037 0.013 0.000 0.827 1188 A CB 0.051 19.058 19.000 0.012 0.000 0.856 1188 A HN 0.276 nan 8.150 nan 0.000 0.488 1189 N N 0.338 119.049 118.700 0.019 0.000 2.328 1189 N HA 0.384 5.124 4.740 0.000 0.000 0.247 1189 N C 0.552 176.078 175.510 0.026 0.000 1.165 1189 N CA 0.950 54.014 53.050 0.023 0.000 0.873 1189 N CB 0.749 39.250 38.487 0.023 0.000 1.125 1189 N HN 0.571 nan 8.380 nan 0.000 0.513 1190 G N -0.721 108.094 108.800 0.026 0.000 2.610 1190 G HA2 -0.178 3.782 3.960 0.000 0.000 0.304 1190 G HA3 -0.178 3.782 3.960 0.000 0.000 0.304 1190 G C -1.217 173.702 174.900 0.032 0.000 1.309 1190 G CA -0.785 44.333 45.100 0.030 0.000 0.906 1190 G HN 0.006 nan 8.290 nan 0.000 0.521 1191 V N 1.950 121.886 119.914 0.037 0.000 2.347 1191 V HA 0.494 4.615 4.120 0.000 0.000 0.280 1191 V C -1.813 174.306 176.094 0.041 0.000 1.021 1191 V CA -1.203 61.122 62.300 0.041 0.000 0.847 1191 V CB 1.593 33.446 31.823 0.050 0.000 0.990 1191 V HN 0.638 nan 8.190 nan 0.000 0.444 1192 P HA 0.207 nan 4.420 nan 0.000 0.261 1192 P C -0.422 176.902 177.300 0.040 0.000 1.183 1192 P CA 0.251 63.374 63.100 0.038 0.000 0.761 1192 P CB 0.255 31.976 31.700 0.035 0.000 0.785 1193 R N 0.931 121.454 120.500 0.037 0.000 2.712 1193 R HA 0.522 4.862 4.340 0.000 0.000 0.272 1193 R C -1.319 175.001 176.300 0.033 0.000 1.032 1193 R CA -1.077 55.044 56.100 0.035 0.000 0.874 1193 R CB 1.392 31.712 30.300 0.035 0.000 1.256 1193 R HN 0.227 nan 8.270 nan 0.000 0.468 1194 E N 0.914 121.132 120.200 0.030 0.000 2.175 1194 E HA 0.493 4.843 4.350 0.000 0.000 0.278 1194 E C -0.653 175.961 176.600 0.024 0.000 0.969 1194 E CA -0.646 55.772 56.400 0.029 0.000 0.796 1194 E CB 2.251 31.968 29.700 0.028 0.000 1.104 1194 E HN 0.671 nan 8.360 nan 0.000 0.395 1195 T N 0.151 114.719 114.554 0.023 0.000 2.618 1195 T HA 0.774 5.124 4.350 0.000 0.000 0.255 1195 T C -0.044 174.667 174.700 0.019 0.000 0.988 1195 T CA -0.465 61.636 62.100 0.003 0.000 1.221 1195 T CB 1.236 70.087 68.868 -0.028 0.000 1.674 1195 T HN 0.699 nan 8.240 nan 0.000 0.448 1196 G N -0.254 108.545 108.800 -0.001 0.000 2.324 1196 G HA2 0.459 4.420 3.960 0.000 0.000 0.293 1196 G HA3 0.459 4.420 3.960 0.000 0.000 0.293 1196 G C -2.407 172.507 174.900 0.022 0.000 1.297 1196 G CA -0.885 44.272 45.100 0.095 0.000 0.853 1196 G HN 0.446 nan 8.290 nan 0.000 0.535 1197 F N 0.584 120.483 119.950 -0.085 0.000 2.522 1197 F HA 0.659 5.187 4.527 0.001 0.000 0.324 1197 F C -0.133 175.581 175.800 -0.144 0.000 1.077 1197 F CA -0.606 57.316 58.000 -0.130 0.000 0.944 1197 F CB 2.469 41.400 39.000 -0.115 0.000 1.175 1197 F HN 0.246 nan 8.300 nan 0.000 0.468 1198 D N 1.277 121.639 120.400 -0.063 0.000 2.350 1198 D HA 0.294 4.935 4.640 0.000 0.000 0.238 1198 D C -0.634 175.585 176.300 -0.136 0.000 0.989 1198 D CA -0.445 53.479 54.000 -0.126 0.000 0.921 1198 D CB 2.778 43.432 40.800 -0.243 0.000 1.297 1198 D HN 0.281 nan 8.370 nan 0.000 0.490 1199 I N 1.095 121.584 120.570 -0.135 0.000 2.710 1199 I HA -0.116 4.055 4.170 0.000 0.000 0.286 1199 I C 1.512 177.501 176.117 -0.213 0.000 1.181 1199 I CA 0.813 62.047 61.300 -0.109 0.000 1.430 1199 I CB 0.582 38.568 38.000 -0.023 0.000 1.367 1199 I HN 0.250 nan 8.210 nan 0.000 0.577 1200 S N 4.738 120.347 115.700 -0.151 0.000 2.365 1200 S HA -0.196 4.275 4.470 0.000 0.000 0.225 1200 S C 1.762 176.252 174.600 -0.183 0.000 1.039 1200 S CA 1.748 59.840 58.200 -0.180 0.000 1.033 1200 S CB -0.551 62.597 63.200 -0.085 0.000 0.887 1200 S HN 0.771 nan 8.310 nan 0.000 0.447 1201 V N -0.306 119.525 119.914 -0.139 0.000 3.330 1201 V HA 0.179 4.300 4.120 0.000 0.000 0.273 1201 V C 1.669 177.602 176.094 -0.268 0.000 1.179 1201 V CA 1.215 63.445 62.300 -0.116 0.000 1.174 1201 V CB -1.240 30.583 31.823 0.000 0.000 0.794 1201 V HN 0.411 nan 8.190 nan 0.000 0.527 1202 A N -0.052 122.468 122.820 -0.500 0.000 2.220 1202 A HA 0.258 4.578 4.320 0.000 0.000 0.211 1202 A C 1.497 178.862 177.584 -0.365 0.000 1.176 1202 A CA 0.716 52.320 52.037 -0.722 0.000 0.834 1202 A CB -0.276 18.082 19.000 -1.069 0.000 0.868 1202 A HN 0.568 nan 8.150 nan 0.000 0.488 1203 S N 0.316 115.846 115.700 -0.284 0.000 2.558 1203 S HA -0.069 4.401 4.470 0.000 0.000 0.293 1203 S C 1.108 175.712 174.600 0.007 0.000 1.292 1203 S CA 0.464 58.564 58.200 -0.167 0.000 1.063 1203 S CB 0.484 63.611 63.200 -0.122 0.000 0.831 1203 S HN 0.581 nan 8.310 nan 0.000 0.499 1204 E N 3.328 123.584 120.200 0.094 0.000 2.204 1204 E HA -0.106 4.244 4.350 0.000 0.000 0.195 1204 E C 1.561 178.328 176.600 0.278 0.000 0.990 1204 E CA 1.112 57.633 56.400 0.202 0.000 0.821 1204 E CB -0.009 29.880 29.700 0.316 0.000 0.750 1204 E HN 0.659 nan 8.360 nan 0.000 0.477 1205 V N 1.116 121.230 119.914 0.333 0.000 2.343 1205 V HA -0.276 3.844 4.120 0.000 0.000 0.247 1205 V C 2.422 178.685 176.094 0.281 0.000 1.051 1205 V CA 1.847 64.350 62.300 0.339 0.000 1.036 1205 V CB -0.463 31.510 31.823 0.250 0.000 0.654 1205 V HN 0.415 nan 8.190 nan 0.000 0.451 1206 M N 0.966 120.669 119.600 0.171 0.000 2.279 1206 M HA -0.045 4.435 4.480 0.000 0.000 0.264 1206 M C 1.879 178.248 176.300 0.116 0.000 1.062 1206 M CA 2.030 57.395 55.300 0.108 0.000 1.099 1206 M CB -0.681 31.938 32.600 0.031 0.000 1.394 1206 M HN 0.250 nan 8.290 nan 0.000 0.426 1207 A N -1.474 121.439 122.820 0.155 0.000 1.970 1207 A HA -0.071 4.249 4.320 0.000 0.000 0.216 1207 A C 2.294 179.997 177.584 0.199 0.000 1.170 1207 A CA 1.293 53.456 52.037 0.210 0.000 0.645 1207 A CB -1.289 17.840 19.000 0.215 0.000 0.816 1207 A HN 0.636 nan 8.150 nan 0.000 0.447 1208 C N -1.120 118.305 119.300 0.209 0.000 2.440 1208 C HA -0.053 4.407 4.460 0.000 0.000 0.278 1208 C C 2.528 177.563 174.990 0.075 0.000 1.295 1208 C CA 1.161 60.279 59.018 0.166 0.000 1.738 1208 C CB -1.269 26.653 27.740 0.304 0.000 1.987 1208 C HN 0.686 nan 8.230 nan 0.000 0.492 1209 L N 0.893 122.177 121.223 0.102 0.000 2.017 1209 L HA -0.125 4.215 4.340 0.000 0.000 0.208 1209 L C 2.377 179.222 176.870 -0.042 0.000 1.073 1209 L CA 2.102 56.952 54.840 0.016 0.000 0.745 1209 L CB -1.017 41.058 42.059 0.028 0.000 0.894 1209 L HN 0.389 nan 8.230 nan 0.000 0.432 1210 C N -0.633 118.671 119.300 0.007 0.000 2.422 1210 C HA -0.038 4.422 4.460 0.000 0.000 0.286 1210 C C 2.302 177.346 174.990 0.091 0.000 1.412 1210 C CA 0.648 59.690 59.018 0.040 0.000 1.786 1210 C CB -1.217 26.612 27.740 0.148 0.000 1.835 1210 C HN 0.545 nan 8.230 nan 0.000 0.533 1211 L N -0.451 120.811 121.223 0.065 0.000 2.906 1211 L HA 0.322 4.662 4.340 0.000 0.000 0.255 1211 L C 1.044 177.934 176.870 0.033 0.000 1.166 1211 L CA -0.178 54.695 54.840 0.054 0.000 0.977 1211 L CB -0.271 41.834 42.059 0.078 0.000 1.313 1211 L HN 0.106 nan 8.230 nan 0.000 0.549 1212 A N -0.385 122.419 122.820 -0.028 0.000 2.302 1212 A HA 0.464 4.784 4.320 0.000 0.000 0.285 1212 A C 1.179 178.710 177.584 -0.087 0.000 1.105 1212 A CA -0.142 51.848 52.037 -0.079 0.000 0.816 1212 A CB 0.816 19.744 19.000 -0.121 0.000 1.067 1212 A HN 0.156 nan 8.150 nan 0.000 0.489 1213 S N 0.510 116.148 115.700 -0.103 0.000 2.357 1213 S HA 0.023 4.493 4.470 0.000 0.000 0.221 1213 S C 0.364 174.910 174.600 -0.089 0.000 1.031 1213 S CA 1.498 59.634 58.200 -0.107 0.000 0.982 1213 S CB -0.404 62.744 63.200 -0.086 0.000 0.853 1213 S HN 0.967 nan 8.310 nan 0.000 0.458 1214 D N -1.794 118.562 120.400 -0.074 0.000 2.970 1214 D HA 0.267 4.907 4.640 0.000 0.000 0.344 1214 D C 0.534 176.792 176.300 -0.069 0.000 1.365 1214 D CA -0.773 53.197 54.000 -0.049 0.000 0.910 1214 D CB -0.256 40.532 40.800 -0.019 0.000 1.445 1214 D HN -0.066 nan 8.370 nan 0.000 0.532 1215 L N -0.613 120.581 121.223 -0.047 0.000 1.989 1215 L HA -0.151 4.190 4.340 0.000 0.000 0.211 1215 L C 2.073 178.886 176.870 -0.094 0.000 1.071 1215 L CA 1.328 56.131 54.840 -0.062 0.000 0.749 1215 L CB -0.358 41.689 42.059 -0.019 0.000 0.890 1215 L HN 0.428 nan 8.230 nan 0.000 0.431 1216 M N -0.897 118.663 119.600 -0.066 0.000 2.117 1216 M HA -0.242 4.238 4.480 0.000 0.000 0.262 1216 M C 1.912 178.148 176.300 -0.107 0.000 1.065 1216 M CA 1.613 56.871 55.300 -0.070 0.000 1.114 1216 M CB -1.405 31.169 32.600 -0.044 0.000 1.361 1216 M HN 0.231 nan 8.290 nan 0.000 0.408 1217 D N 0.364 120.696 120.400 -0.114 0.000 2.117 1217 D HA -0.151 4.490 4.640 0.000 0.000 0.197 1217 D C 1.988 178.158 176.300 -0.218 0.000 0.987 1217 D CA 0.858 54.774 54.000 -0.140 0.000 0.829 1217 D CB -0.084 40.641 40.800 -0.126 0.000 0.961 1217 D HN 0.193 nan 8.370 nan 0.000 0.460 1218 L N 0.793 121.850 121.223 -0.275 0.000 2.079 1218 L HA -0.116 4.224 4.340 0.000 0.000 0.210 1218 L C 2.176 178.583 176.870 -0.772 0.000 1.081 1218 L CA 1.813 56.336 54.840 -0.527 0.000 0.752 1218 L CB -0.535 41.241 42.059 -0.472 0.000 0.896 1218 L HN -0.032 nan 8.230 nan 0.000 0.433 1219 K N -0.748 119.410 120.400 -0.402 0.000 2.057 1219 K HA -0.223 4.098 4.320 0.000 0.000 0.206 1219 K C 2.151 178.685 176.600 -0.111 0.000 1.050 1219 K CA 1.558 57.721 56.287 -0.208 0.000 0.935 1219 K CB -0.115 32.346 32.500 -0.065 0.000 0.715 1219 K HN 0.492 nan 8.250 nan 0.000 0.439 1220 E N 0.480 120.604 120.200 -0.126 0.000 2.047 1220 E HA -0.187 4.163 4.350 0.000 0.000 0.191 1220 E C 1.926 178.488 176.600 -0.064 0.000 0.987 1220 E CA 1.038 57.392 56.400 -0.077 0.000 0.799 1220 E CB 0.136 29.785 29.700 -0.084 0.000 0.752 1220 E HN 0.250 nan 8.360 nan 0.000 0.449 1221 R N -0.413 120.017 120.500 -0.118 0.000 2.127 1221 R HA -0.127 4.213 4.340 0.000 0.000 0.238 1221 R C 2.323 178.677 176.300 0.090 0.000 1.134 1221 R CA 1.351 57.418 56.100 -0.055 0.000 0.975 1221 R CB -0.337 29.901 30.300 -0.104 0.000 0.865 1221 R HN 0.323 nan 8.270 nan 0.000 0.447 1222 F N 0.837 120.751 119.950 -0.060 0.000 2.146 1222 F HA -0.200 4.327 4.527 -0.000 0.000 0.298 1222 F C 2.839 178.556 175.800 -0.138 0.000 1.096 1222 F CA 0.843 58.785 58.000 -0.096 0.000 1.275 1222 F CB -0.198 38.755 39.000 -0.078 0.000 1.008 1222 F HN 0.152 nan 8.300 nan 0.000 0.480 1223 S N 0.461 116.220 115.700 0.099 0.000 2.442 1223 S HA -0.140 4.330 4.470 0.000 0.000 0.236 1223 S C 1.645 176.222 174.600 -0.039 0.000 1.007 1223 S CA 0.598 58.795 58.200 -0.004 0.000 0.965 1223 S CB -0.448 62.747 63.200 -0.008 0.000 0.773 1223 S HN 0.339 nan 8.310 nan 0.000 0.504 1224 R N 1.319 121.811 120.500 -0.013 0.000 2.297 1224 R HA 0.202 4.543 4.340 0.000 0.000 0.197 1224 R C -0.084 176.198 176.300 -0.029 0.000 0.943 1224 R CA 0.232 56.328 56.100 -0.007 0.000 1.038 1224 R CB -0.155 30.157 30.300 0.020 0.000 0.957 1224 R HN 0.488 nan 8.270 nan 0.000 0.484 1225 K N 1.731 122.077 120.400 -0.090 0.000 2.412 1225 K HA 0.125 4.446 4.320 0.000 0.000 0.284 1225 K C -0.232 176.216 176.600 -0.254 0.000 1.046 1225 K CA -0.049 56.129 56.287 -0.181 0.000 0.999 1225 K CB 1.230 33.527 32.500 -0.339 0.000 0.941 1225 K HN -0.210 nan 8.250 nan 0.000 0.474 1226 V N 4.247 124.041 119.914 -0.200 0.000 2.530 1226 V HA -0.005 4.115 4.120 0.000 0.000 0.282 1226 V C 1.162 177.125 176.094 -0.217 0.000 1.048 1226 V CA -0.181 61.977 62.300 -0.236 0.000 0.997 1226 V CB 1.184 32.855 31.823 -0.253 0.000 0.987 1226 V HN 0.761 nan 8.190 nan 0.000 0.477 1227 V N 1.625 121.386 119.914 -0.256 0.000 3.635 1227 V HA 0.796 4.917 4.120 0.000 0.000 0.266 1227 V C 0.663 176.705 176.094 -0.086 0.000 1.316 1227 V CA 0.984 63.191 62.300 -0.154 0.000 1.060 1227 V CB 0.074 31.736 31.823 -0.268 0.000 0.820 1227 V HN 1.083 nan 8.190 nan 0.000 0.447 1228 G N -0.978 107.689 108.800 -0.221 0.000 2.325 1228 G HA2 0.493 4.453 3.960 0.000 0.000 0.295 1228 G HA3 0.493 4.453 3.960 0.000 0.000 0.295 1228 G C -2.221 172.416 174.900 -0.438 0.000 1.274 1228 G CA -0.563 44.444 45.100 -0.154 0.000 0.857 1228 G HN 0.135 nan 8.290 nan 0.000 0.499 1229 Y N -0.200 120.066 120.300 -0.056 0.000 2.576 1229 Y HA 0.668 5.217 4.550 -0.000 0.000 0.346 1229 Y C 1.078 176.916 175.900 -0.103 0.000 1.018 1229 Y CA -0.190 57.878 58.100 -0.055 0.000 1.050 1229 Y CB 2.037 40.477 38.460 -0.033 0.000 1.280 1229 Y HN 0.830 nan 8.280 nan 0.000 0.474 1230 T N -2.979 111.622 114.554 0.079 0.000 2.754 1230 T HA 0.089 4.439 4.350 0.000 0.000 0.286 1230 T C 0.476 175.177 174.700 0.002 0.000 0.997 1230 T CA -0.165 61.948 62.100 0.022 0.000 0.982 1230 T CB 0.274 69.196 68.868 0.090 0.000 1.027 1230 T HN 0.580 nan 8.240 nan 0.000 0.529 1231 Y N -0.248 120.097 120.300 0.075 0.000 2.680 1231 Y HA 0.034 4.584 4.550 0.000 0.000 0.303 1231 Y C 1.711 177.643 175.900 0.052 0.000 1.166 1231 Y CA 0.459 58.594 58.100 0.058 0.000 1.344 1231 Y CB -0.133 38.354 38.460 0.044 0.000 1.002 1231 Y HN 0.601 nan 8.280 nan 0.000 0.537 1232 D N -1.908 118.594 120.400 0.170 0.000 2.407 1232 D HA 0.173 4.813 4.640 0.000 0.000 0.208 1232 D C 1.834 178.194 176.300 0.099 0.000 1.083 1232 D CA 0.963 55.035 54.000 0.121 0.000 0.844 1232 D CB 0.642 41.507 40.800 0.107 0.000 0.967 1232 D HN 0.266 nan 8.370 nan 0.000 0.506 1233 G N 1.475 110.345 108.800 0.117 0.000 2.176 1233 G HA2 -0.277 3.683 3.960 0.000 0.000 0.232 1233 G HA3 -0.277 3.683 3.960 0.000 0.000 0.232 1233 G C 0.468 175.534 174.900 0.277 0.000 0.986 1233 G CA 0.130 45.305 45.100 0.124 0.000 0.643 1233 G HN 0.361 nan 8.290 nan 0.000 0.522 1234 K N 1.384 121.912 120.400 0.214 0.000 2.326 1234 K HA 0.439 4.760 4.320 0.000 0.000 0.275 1234 K C -2.311 174.382 176.600 0.154 0.000 1.018 1234 K CA -1.444 54.953 56.287 0.184 0.000 0.962 1234 K CB 0.763 33.323 32.500 0.100 0.000 0.953 1234 K HN 0.055 nan 8.250 nan 0.000 0.475 1235 P HA 0.029 nan 4.420 nan 0.000 0.271 1235 P C -1.308 175.867 177.300 -0.209 0.000 1.218 1235 P CA -0.402 62.552 63.100 -0.243 0.000 0.780 1235 P CB 0.921 32.578 31.700 -0.071 0.000 0.901 1236 V N 2.500 122.220 119.914 -0.324 0.000 2.483 1236 V HA 0.464 4.584 4.120 0.000 0.000 0.297 1236 V C 0.366 176.309 176.094 -0.253 0.000 1.027 1236 V CA -0.386 61.776 62.300 -0.230 0.000 0.855 1236 V CB 1.773 33.469 31.823 -0.212 0.000 0.995 1236 V HN 0.674 nan 8.190 nan 0.000 0.424 1237 T N 1.688 116.118 114.554 -0.206 0.000 2.949 1237 T HA 0.712 5.062 4.350 0.000 0.000 0.287 1237 T C 1.197 175.749 174.700 -0.248 0.000 1.034 1237 T CA 0.066 62.036 62.100 -0.217 0.000 1.018 1237 T CB 2.073 70.855 68.868 -0.144 0.000 1.135 1237 T HN 0.689 nan 8.240 nan 0.000 0.532 1238 A N 0.662 123.307 122.820 -0.292 0.000 1.930 1238 A HA 0.204 4.524 4.320 0.000 0.000 0.217 1238 A C 2.406 179.874 177.584 -0.193 0.000 1.175 1238 A CA 1.801 53.655 52.037 -0.305 0.000 0.627 1238 A CB -1.713 17.058 19.000 -0.381 0.000 0.815 1238 A HN 1.148 nan 8.150 nan 0.000 0.443 1239 G N -0.023 108.691 108.800 -0.144 0.000 2.469 1239 G HA2 -0.305 3.655 3.960 0.000 0.000 0.219 1239 G HA3 -0.305 3.655 3.960 0.000 0.000 0.219 1239 G C 1.153 175.995 174.900 -0.097 0.000 1.150 1239 G CA 1.227 46.272 45.100 -0.093 0.000 0.763 1239 G HN 0.475 nan 8.290 nan 0.000 0.561 1240 D N 0.193 120.520 120.400 -0.121 0.000 2.263 1240 D HA -0.025 4.615 4.640 0.000 0.000 0.208 1240 D C 2.180 178.394 176.300 -0.145 0.000 0.971 1240 D CA 0.545 54.472 54.000 -0.120 0.000 0.867 1240 D CB 0.038 40.755 40.800 -0.139 0.000 0.929 1240 D HN 0.318 nan 8.370 nan 0.000 0.492 1241 L N 0.660 121.777 121.223 -0.177 0.000 2.628 1241 L HA 0.070 4.410 4.340 0.000 0.000 0.229 1241 L C 0.038 176.847 176.870 -0.101 0.000 1.137 1241 L CA -0.041 54.691 54.840 -0.179 0.000 0.909 1241 L CB 0.126 42.043 42.059 -0.236 0.000 1.137 1241 L HN -0.175 nan 8.230 nan 0.000 0.470 1242 E N 0.017 120.168 120.200 -0.082 0.000 2.269 1242 E HA -0.275 4.075 4.350 0.000 0.000 0.223 1242 E C 0.806 177.378 176.600 -0.047 0.000 1.244 1242 E CA 0.745 57.115 56.400 -0.049 0.000 0.713 1242 E CB -1.155 28.530 29.700 -0.024 0.000 1.178 1242 E HN 0.569 nan 8.360 nan 0.000 0.370 1243 A N 0.338 123.114 122.820 -0.074 0.000 2.431 1243 A HA -0.012 4.308 4.320 0.000 0.000 0.239 1243 A C 2.090 179.647 177.584 -0.045 0.000 1.230 1243 A CA 0.357 52.351 52.037 -0.072 0.000 0.928 1243 A CB 0.253 19.177 19.000 -0.126 0.000 1.006 1243 A HN 0.267 nan 8.150 nan 0.000 0.520 1244 Q N 0.074 119.868 119.800 -0.010 0.000 2.119 1244 Q HA -0.098 4.242 4.340 0.000 0.000 0.201 1244 Q C 1.745 177.817 176.000 0.119 0.000 0.972 1244 Q CA 2.008 57.864 55.803 0.088 0.000 0.847 1244 Q CB -1.275 27.523 28.738 0.100 0.000 0.903 1244 Q HN 0.363 nan 8.270 nan 0.000 0.433 1245 G N 1.191 110.027 108.800 0.061 0.000 2.446 1245 G HA2 -0.265 3.695 3.960 0.000 0.000 0.217 1245 G HA3 -0.265 3.695 3.960 0.000 0.000 0.217 1245 G C 1.580 176.521 174.900 0.070 0.000 1.168 1245 G CA 1.220 46.355 45.100 0.058 0.000 0.771 1245 G HN 0.463 nan 8.290 nan 0.000 0.551 1246 S N 0.395 116.126 115.700 0.051 0.000 2.368 1246 S HA -0.067 4.403 4.470 0.000 0.000 0.225 1246 S C 2.427 177.072 174.600 0.074 0.000 1.030 1246 S CA 1.445 59.676 58.200 0.051 0.000 0.999 1246 S CB -0.261 62.956 63.200 0.028 0.000 0.844 1246 S HN 0.365 nan 8.310 nan 0.000 0.459 1247 M N 1.275 120.916 119.600 0.069 0.000 2.086 1247 M HA -0.113 4.367 4.480 0.000 0.000 0.261 1247 M C 2.562 179.018 176.300 0.261 0.000 1.067 1247 M CA 1.543 56.885 55.300 0.070 0.000 1.116 1247 M CB -0.659 31.841 32.600 -0.167 0.000 1.348 1247 M HN 0.392 nan 8.290 nan 0.000 0.407 1248 A N 0.469 123.482 122.820 0.322 0.000 1.908 1248 A HA -0.196 4.124 4.320 0.000 0.000 0.218 1248 A C 2.117 179.799 177.584 0.162 0.000 1.181 1248 A CA 1.612 53.801 52.037 0.253 0.000 0.627 1248 A CB -0.929 18.154 19.000 0.138 0.000 0.818 1248 A HN 0.454 nan 8.150 nan 0.000 0.445 1249 L N -0.588 120.708 121.223 0.123 0.000 2.079 1249 L HA -0.121 4.219 4.340 0.000 0.000 0.210 1249 L C 1.993 178.924 176.870 0.102 0.000 1.081 1249 L CA 1.590 56.484 54.840 0.091 0.000 0.752 1249 L CB -0.517 41.583 42.059 0.068 0.000 0.896 1249 L HN 0.269 nan 8.230 nan 0.000 0.433 1250 L N -0.875 120.423 121.223 0.125 0.000 2.201 1250 L HA -0.084 4.256 4.340 0.000 0.000 0.212 1250 L C 2.009 178.971 176.870 0.155 0.000 1.105 1250 L CA 1.148 56.068 54.840 0.132 0.000 0.775 1250 L CB -1.042 41.109 42.059 0.154 0.000 0.913 1250 L HN 0.389 nan 8.230 nan 0.000 0.440 1251 M N -1.264 118.446 119.600 0.183 0.000 2.431 1251 M HA 0.006 4.486 4.480 0.000 0.000 0.237 1251 M C 1.786 178.166 176.300 0.133 0.000 1.130 1251 M CA 0.173 55.585 55.300 0.187 0.000 1.002 1251 M CB -0.463 32.289 32.600 0.254 0.000 1.524 1251 M HN 0.174 nan 8.290 nan 0.000 0.482 1252 K N 1.346 121.811 120.400 0.108 0.000 2.052 1252 K HA -0.245 4.075 4.320 0.000 0.000 0.215 1252 K C 0.800 177.444 176.600 0.073 0.000 1.053 1252 K CA 2.193 58.527 56.287 0.078 0.000 0.934 1252 K CB 0.217 32.757 32.500 0.067 0.000 0.717 1252 K HN 0.250 nan 8.250 nan 0.000 0.450 1253 D N -0.815 119.636 120.400 0.085 0.000 2.262 1253 D HA 0.028 4.668 4.640 0.000 0.000 0.212 1253 D C 1.596 177.935 176.300 0.064 0.000 0.964 1253 D CA 0.948 54.995 54.000 0.079 0.000 0.875 1253 D CB -0.143 40.725 40.800 0.113 0.000 0.996 1253 D HN 0.298 nan 8.370 nan 0.000 0.497 1254 A N 0.732 123.614 122.820 0.103 0.000 2.178 1254 A HA -0.122 4.199 4.320 0.000 0.000 0.218 1254 A C 1.991 179.712 177.584 0.228 0.000 1.157 1254 A CA 0.566 52.691 52.037 0.146 0.000 0.689 1254 A CB -0.540 18.566 19.000 0.176 0.000 0.787 1254 A HN 0.187 nan 8.150 nan 0.000 0.465 1255 I N -0.677 119.982 120.570 0.148 0.000 2.928 1255 I HA 0.000 4.170 4.170 0.000 0.000 0.266 1255 I C 0.409 176.568 176.117 0.070 0.000 1.234 1255 I CA 0.463 61.857 61.300 0.157 0.000 1.483 1255 I CB -0.198 37.847 38.000 0.075 0.000 1.097 1255 I HN 0.099 nan 8.210 nan 0.000 0.455 1256 K N 3.638 123.977 120.400 -0.102 0.000 2.227 1256 K HA 0.296 4.616 4.320 0.000 0.000 0.280 1256 K C -2.294 173.889 176.600 -0.694 0.000 1.041 1256 K CA -1.927 54.198 56.287 -0.270 0.000 0.905 1256 K CB 0.485 32.903 32.500 -0.137 0.000 1.068 1256 K HN 0.008 nan 8.250 nan 0.000 0.470 1257 P HA -0.071 nan 4.420 nan 0.000 0.270 1257 P C -1.041 175.988 177.300 -0.451 0.000 1.223 1257 P CA -0.118 62.406 63.100 -0.959 0.000 0.785 1257 P CB 0.600 31.698 31.700 -1.003 0.000 0.923 1258 N N 1.531 120.141 118.700 -0.151 0.000 2.408 1258 N HA 0.276 5.016 4.740 0.000 0.000 0.280 1258 N C -0.558 175.167 175.510 0.357 0.000 1.002 1258 N CA -0.536 52.543 53.050 0.048 0.000 0.907 1258 N CB 1.266 39.765 38.487 0.020 0.000 1.161 1258 N HN 0.323 nan 8.380 nan 0.000 0.488 1259 L N 3.810 125.218 121.223 0.308 0.000 2.265 1259 L HA 0.457 4.797 4.340 0.000 0.000 0.288 1259 L C -0.156 176.828 176.870 0.190 0.000 1.058 1259 L CA -0.307 54.699 54.840 0.276 0.000 0.809 1259 L CB 0.673 42.848 42.059 0.193 0.000 1.179 1259 L HN 0.406 nan 8.230 nan 0.000 0.429 1260 V N 2.319 122.338 119.914 0.174 0.000 3.087 1260 V HA 0.764 4.884 4.120 0.000 0.000 0.311 1260 V C -0.938 175.212 176.094 0.092 0.000 1.333 1260 V CA -0.534 61.869 62.300 0.173 0.000 1.054 1260 V CB 1.395 33.369 31.823 0.251 0.000 1.123 1260 V HN 0.958 nan 8.190 nan 0.000 0.473 1261 Q N -0.901 118.950 119.800 0.085 0.000 2.648 1261 Q HA 0.563 4.904 4.340 0.000 0.000 0.300 1261 Q C -1.204 174.814 176.000 0.030 0.000 0.954 1261 Q CA -0.665 55.164 55.803 0.043 0.000 0.757 1261 Q CB 1.752 30.520 28.738 0.049 0.000 1.482 1261 Q HN 0.686 nan 8.270 nan 0.000 0.437 1262 T N 0.813 115.376 114.554 0.014 0.000 2.824 1262 T HA 0.310 4.660 4.350 0.000 0.000 0.277 1262 T C 1.440 176.146 174.700 0.010 0.000 0.975 1262 T CA -0.607 61.498 62.100 0.008 0.000 0.966 1262 T CB 0.333 69.203 68.868 0.003 0.000 1.054 1262 T HN 0.524 nan 8.240 nan 0.000 0.533 1263 L N 0.383 121.612 121.223 0.011 0.000 2.187 1263 L HA -0.072 4.268 4.340 0.000 0.000 0.213 1263 L C 1.940 178.818 176.870 0.013 0.000 1.100 1263 L CA 1.539 56.388 54.840 0.015 0.000 0.765 1263 L CB -0.425 41.658 42.059 0.040 0.000 0.904 1263 L HN 0.724 nan 8.230 nan 0.000 0.437 1264 E N -0.080 120.125 120.200 0.009 0.000 2.419 1264 E HA 0.031 4.381 4.350 0.000 0.000 0.190 1264 E C -0.128 176.472 176.600 0.001 0.000 1.040 1264 E CA -0.187 56.212 56.400 -0.001 0.000 0.900 1264 E CB 0.145 29.840 29.700 -0.010 0.000 1.054 1264 E HN 0.371 nan 8.360 nan 0.000 0.462 1265 N N 0.488 119.194 118.700 0.009 0.000 2.850 1265 N HA -0.122 4.618 4.740 0.000 0.000 0.249 1265 N C -0.649 174.863 175.510 0.004 0.000 1.060 1265 N CA 1.131 54.191 53.050 0.015 0.000 0.825 1265 N CB -1.803 36.695 38.487 0.019 0.000 1.132 1265 N HN 0.126 nan 8.380 nan 0.000 0.564 1266 T N 2.368 116.919 114.554 -0.005 0.000 2.834 1266 T HA 0.295 4.645 4.350 0.000 0.000 0.298 1266 T C -2.131 172.551 174.700 -0.030 0.000 0.966 1266 T CA -0.654 61.435 62.100 -0.017 0.000 1.141 1266 T CB 1.344 70.201 68.868 -0.019 0.000 0.905 1266 T HN -0.014 nan 8.240 nan 0.000 0.535 1267 P HA 0.332 nan 4.420 nan 0.000 0.267 1267 P C -1.076 176.144 177.300 -0.133 0.000 1.201 1267 P CA -0.078 62.961 63.100 -0.103 0.000 0.775 1267 P CB 0.437 32.051 31.700 -0.143 0.000 0.854 1268 A N 1.937 124.659 122.820 -0.164 0.000 2.589 1268 A HA 0.676 4.996 4.320 0.000 0.000 0.296 1268 A C -1.712 175.829 177.584 -0.072 0.000 1.062 1268 A CA -0.344 51.624 52.037 -0.114 0.000 0.686 1268 A CB 0.853 19.847 19.000 -0.009 0.000 1.282 1268 A HN 0.243 nan 8.150 nan 0.000 0.404 1269 F N 1.058 121.048 119.950 0.067 0.000 2.458 1269 F HA 0.673 5.201 4.527 0.001 0.000 0.336 1269 F C 0.062 175.921 175.800 0.099 0.000 1.114 1269 F CA -1.239 56.814 58.000 0.088 0.000 0.987 1269 F CB 1.929 40.981 39.000 0.087 0.000 1.130 1269 F HN 0.509 nan 8.300 nan 0.000 0.458 1270 I N 4.549 125.343 120.570 0.374 0.000 2.468 1270 I HA 0.406 4.576 4.170 0.000 0.000 0.284 1270 I C -1.686 174.627 176.117 0.327 0.000 1.038 1270 I CA -0.185 61.258 61.300 0.238 0.000 1.083 1270 I CB 0.936 38.995 38.000 0.098 0.000 1.223 1270 I HN 0.716 nan 8.210 nan 0.000 0.443 1271 H N 5.972 125.104 119.070 0.103 0.000 3.128 1271 H HA 0.487 5.043 4.556 0.000 0.000 0.336 1271 H C -0.256 175.099 175.328 0.045 0.000 1.026 1271 H CA 0.101 56.193 56.048 0.073 0.000 1.376 1271 H CB 1.714 31.476 29.762 -0.001 0.000 1.882 1271 H HN 1.025 nan 8.280 nan 0.000 0.479 1272 G N 1.774 110.560 108.800 -0.022 0.000 2.787 1272 G HA2 0.241 4.201 3.960 0.000 0.000 0.685 1272 G HA3 0.241 4.201 3.960 0.000 0.000 0.685 1272 G C -0.160 174.713 174.900 -0.046 0.000 1.437 1272 G CA -0.384 44.653 45.100 -0.105 0.000 0.872 1272 G HN 1.288 nan 8.290 nan 0.000 0.566 1273 G N 0.968 109.735 108.800 -0.055 0.000 2.902 1273 G HA2 0.712 4.672 3.960 0.000 0.000 0.293 1273 G HA3 0.712 4.672 3.960 0.000 0.000 0.293 1273 G C -2.523 172.349 174.900 -0.046 0.000 3.296 1273 G CA 0.594 45.656 45.100 -0.063 0.000 0.614 1273 G HN 0.812 nan 8.290 nan 0.000 0.354 1274 P HA 0.708 nan 4.420 nan 0.000 0.288 1274 P C -0.476 176.860 177.300 0.060 0.000 1.297 1274 P CA -0.899 62.185 63.100 -0.026 0.000 0.864 1274 P CB 1.766 33.420 31.700 -0.077 0.000 1.237 1275 F N -0.194 119.670 119.950 -0.145 0.000 2.480 1275 F HA 0.289 4.816 4.527 0.001 0.000 0.319 1275 F C 1.714 177.369 175.800 -0.242 0.000 1.230 1275 F CA -0.179 57.714 58.000 -0.178 0.000 1.285 1275 F CB -0.403 38.555 39.000 -0.070 0.000 1.208 1275 F HN 0.403 nan 8.300 nan 0.000 0.579 1276 A N 0.867 123.524 122.820 -0.272 0.000 2.508 1276 A HA 0.162 4.482 4.320 0.000 0.000 0.257 1276 A C 0.936 178.567 177.584 0.079 0.000 1.226 1276 A CA 0.245 52.101 52.037 -0.302 0.000 0.947 1276 A CB -0.693 17.808 19.000 -0.833 0.000 1.079 1276 A HN 0.837 nan 8.150 nan 0.000 0.531 1277 N N -1.253 117.593 118.700 0.243 0.000 2.564 1277 N HA 0.097 4.838 4.740 0.000 0.000 0.202 1277 N C 0.931 176.586 175.510 0.242 0.000 1.052 1277 N CA 0.095 53.336 53.050 0.319 0.000 0.872 1277 N CB 0.054 38.750 38.487 0.348 0.000 1.303 1277 N HN 0.153 nan 8.380 nan 0.000 0.440 1278 I N 0.921 121.649 120.570 0.263 0.000 3.728 1278 I HA 0.288 4.458 4.170 0.000 0.000 0.307 1278 I C 0.478 176.700 176.117 0.176 0.000 1.276 1278 I CA -0.069 61.353 61.300 0.204 0.000 1.285 1278 I CB 0.061 38.176 38.000 0.191 0.000 1.038 1278 I HN 0.345 nan 8.210 nan 0.000 0.445 1279 A N -1.192 121.743 122.820 0.192 0.000 2.535 1279 A HA 0.422 4.742 4.320 0.000 0.000 0.296 1279 A C 0.482 178.189 177.584 0.205 0.000 1.248 1279 A CA -0.207 51.957 52.037 0.211 0.000 0.686 1279 A CB 0.131 19.242 19.000 0.184 0.000 1.315 1279 A HN 0.307 nan 8.150 nan 0.000 0.460 1280 H N -0.295 118.796 119.070 0.036 0.000 2.547 1280 H HA 0.247 4.803 4.556 0.000 0.000 0.266 1280 H C 1.079 176.399 175.328 -0.012 0.000 0.988 1280 H CA 0.765 56.823 56.048 0.017 0.000 1.147 1280 H CB -0.771 28.981 29.762 -0.016 0.000 1.365 1280 H HN 1.867 nan 8.280 nan 0.000 0.589 1281 G N 1.003 109.596 108.800 -0.345 0.000 2.366 1281 G HA2 -0.283 3.677 3.960 0.000 0.000 0.299 1281 G HA3 -0.283 3.677 3.960 0.000 0.000 0.299 1281 G C -0.263 174.450 174.900 -0.312 0.000 1.020 1281 G CA 0.525 45.419 45.100 -0.343 0.000 1.026 1281 G HN 0.627 nan 8.290 nan 0.000 0.512 1282 C N -0.384 118.655 119.300 -0.435 0.000 2.779 1282 C HA 0.736 5.196 4.460 0.000 0.000 0.314 1282 C C 0.629 175.539 174.990 -0.133 0.000 1.231 1282 C CA -0.679 58.243 59.018 -0.160 0.000 1.652 1282 C CB 1.598 29.405 27.740 0.112 0.000 2.198 1282 C HN 0.918 nan 8.230 nan 0.000 0.483 1283 N N 0.514 119.206 118.700 -0.013 0.000 2.379 1283 N HA 0.381 5.121 4.740 0.000 0.000 0.260 1283 N C 0.031 175.568 175.510 0.045 0.000 1.254 1283 N CA -0.261 52.789 53.050 0.001 0.000 0.958 1283 N CB 0.310 38.823 38.487 0.044 0.000 1.208 1283 N HN 0.800 nan 8.380 nan 0.000 0.532 1284 S N -0.777 114.914 115.700 -0.014 0.000 2.572 1284 S HA 0.009 4.479 4.470 0.000 0.000 0.267 1284 S C 1.003 175.652 174.600 0.082 0.000 1.361 1284 S CA -0.555 57.629 58.200 -0.026 0.000 1.009 1284 S CB -0.084 62.969 63.200 -0.244 0.000 0.888 1284 S HN 0.584 nan 8.310 nan 0.000 0.553 1285 I N 0.966 121.574 120.570 0.062 0.000 2.584 1285 I HA -0.030 4.140 4.170 0.000 0.000 0.255 1285 I C 2.051 178.213 176.117 0.075 0.000 1.145 1285 I CA 0.684 62.041 61.300 0.095 0.000 1.462 1285 I CB -0.340 37.630 38.000 -0.049 0.000 1.102 1285 I HN 0.816 nan 8.210 nan 0.000 0.433 1286 I N -0.156 120.417 120.570 0.005 0.000 2.567 1286 I HA -0.105 4.065 4.170 0.000 0.000 0.257 1286 I C 2.253 178.338 176.117 -0.054 0.000 1.184 1286 I CA 1.478 62.749 61.300 -0.049 0.000 1.451 1286 I CB -0.945 37.049 38.000 -0.011 0.000 1.089 1286 I HN 0.006 nan 8.210 nan 0.000 0.441 1287 A N 0.691 123.514 122.820 0.005 0.000 1.861 1287 A HA -0.007 4.314 4.320 0.000 0.000 0.212 1287 A C 2.286 179.941 177.584 0.118 0.000 1.199 1287 A CA 1.682 53.644 52.037 -0.125 0.000 0.613 1287 A CB -1.269 17.717 19.000 -0.023 0.000 0.846 1287 A HN 0.441 nan 8.150 nan 0.000 0.446 1288 T N 1.110 115.766 114.554 0.171 0.000 2.684 1288 T HA -0.189 4.161 4.350 0.000 0.000 0.267 1288 T C 1.934 176.679 174.700 0.075 0.000 1.036 1288 T CA 1.988 64.170 62.100 0.137 0.000 1.148 1288 T CB -0.348 68.611 68.868 0.151 0.000 0.863 1288 T HN 0.793 nan 8.240 nan 0.000 0.436 1289 K N 0.740 121.282 120.400 0.236 0.000 2.211 1289 K HA -0.012 4.309 4.320 0.000 0.000 0.203 1289 K C 2.113 178.845 176.600 0.219 0.000 1.050 1289 K CA 1.344 57.775 56.287 0.240 0.000 0.945 1289 K CB -0.451 32.159 32.500 0.184 0.000 0.732 1289 K HN 0.125 nan 8.250 nan 0.000 0.451 1290 T N 1.051 115.713 114.554 0.180 0.000 2.812 1290 T HA 0.014 4.365 4.350 0.000 0.000 0.264 1290 T C 2.081 176.980 174.700 0.332 0.000 1.042 1290 T CA 1.185 63.458 62.100 0.289 0.000 1.140 1290 T CB -0.215 68.765 68.868 0.187 0.000 0.870 1290 T HN 0.462 nan 8.240 nan 0.000 0.445 1291 A N 1.178 124.208 122.820 0.350 0.000 1.972 1291 A HA 0.068 4.388 4.320 0.000 0.000 0.219 1291 A C 2.198 179.849 177.584 0.112 0.000 1.169 1291 A CA 1.037 53.228 52.037 0.256 0.000 0.635 1291 A CB -0.790 18.364 19.000 0.256 0.000 0.810 1291 A HN 0.476 nan 8.150 nan 0.000 0.446 1292 L N -1.521 119.746 121.223 0.073 0.000 2.275 1292 L HA -0.133 4.207 4.340 0.000 0.000 0.215 1292 L C 2.313 179.213 176.870 0.049 0.000 1.119 1292 L CA 1.112 55.957 54.840 0.008 0.000 0.790 1292 L CB -0.152 41.868 42.059 -0.065 0.000 0.919 1292 L HN 0.209 nan 8.230 nan 0.000 0.443 1293 K N -0.177 120.290 120.400 0.112 0.000 2.168 1293 K HA 0.099 4.419 4.320 0.000 0.000 0.201 1293 K C 1.781 178.420 176.600 0.065 0.000 1.049 1293 K CA 0.759 57.100 56.287 0.091 0.000 0.974 1293 K CB -0.089 32.488 32.500 0.129 0.000 0.792 1293 K HN 0.105 nan 8.250 nan 0.000 0.463 1294 L N 0.053 121.329 121.223 0.088 0.000 2.478 1294 L HA 0.148 4.489 4.340 0.000 0.000 0.223 1294 L C 0.567 177.453 176.870 0.027 0.000 1.140 1294 L CA -0.045 54.831 54.840 0.060 0.000 0.842 1294 L CB -0.166 41.938 42.059 0.074 0.000 0.953 1294 L HN 0.004 nan 8.230 nan 0.000 0.452 1295 A N -1.219 121.615 122.820 0.022 0.000 2.515 1295 A HA 0.456 4.776 4.320 0.000 0.000 0.296 1295 A C -0.435 177.132 177.584 -0.028 0.000 1.094 1295 A CA -0.587 51.457 52.037 0.011 0.000 0.718 1295 A CB 1.163 20.174 19.000 0.020 0.000 1.307 1295 A HN -0.047 nan 8.150 nan 0.000 0.408 1296 D N -0.644 119.733 120.400 -0.039 0.000 2.305 1296 D HA 0.148 4.789 4.640 0.000 0.000 0.206 1296 D C -0.820 175.170 176.300 -0.517 0.000 0.974 1296 D CA 1.811 55.664 54.000 -0.245 0.000 0.871 1296 D CB 0.070 40.739 40.800 -0.219 0.000 0.947 1296 D HN 0.476 nan 8.370 nan 0.000 0.516 1297 Y N -0.471 119.820 120.300 -0.015 0.000 2.386 1297 Y HA 0.462 5.012 4.550 0.000 0.000 0.334 1297 Y C -0.516 175.367 175.900 -0.029 0.000 1.002 1297 Y CA -0.975 57.112 58.100 -0.021 0.000 1.068 1297 Y CB 2.248 40.698 38.460 -0.018 0.000 1.203 1297 Y HN -0.427 nan 8.280 nan 0.000 0.443 1298 V N 4.503 124.467 119.914 0.083 0.000 2.483 1298 V HA 0.491 4.611 4.120 0.000 0.000 0.297 1298 V C -0.742 175.364 176.094 0.020 0.000 1.027 1298 V CA -0.856 61.463 62.300 0.032 0.000 0.855 1298 V CB 1.901 33.713 31.823 -0.018 0.000 0.995 1298 V HN 0.545 nan 8.190 nan 0.000 0.424 1299 V N 4.230 124.150 119.914 0.011 0.000 2.435 1299 V HA 0.731 4.851 4.120 0.000 0.000 0.290 1299 V C 0.186 176.258 176.094 -0.036 0.000 1.030 1299 V CA 0.057 62.345 62.300 -0.020 0.000 0.881 1299 V CB 1.970 33.781 31.823 -0.020 0.000 0.983 1299 V HN 0.976 nan 8.190 nan 0.000 0.445 1300 T N 3.884 118.384 114.554 -0.090 0.000 2.841 1300 T HA 0.662 5.013 4.350 0.000 0.000 0.296 1300 T C -1.205 173.356 174.700 -0.233 0.000 1.166 1300 T CA -0.512 61.524 62.100 -0.106 0.000 1.007 1300 T CB 1.990 70.837 68.868 -0.036 0.000 1.253 1300 T HN 0.937 nan 8.240 nan 0.000 0.511 1301 E N 0.594 120.660 120.200 -0.224 0.000 2.445 1301 E HA 0.802 5.152 4.350 0.000 0.000 0.273 1301 E C -1.550 174.878 176.600 -0.287 0.000 0.961 1301 E CA -1.407 54.821 56.400 -0.286 0.000 0.807 1301 E CB 1.864 31.452 29.700 -0.186 0.000 1.362 1301 E HN 0.725 nan 8.360 nan 0.000 0.453 1302 A N 0.588 123.238 122.820 -0.283 0.000 2.422 1302 A HA 0.700 5.020 4.320 0.000 0.000 0.302 1302 A C 0.068 177.527 177.584 -0.209 0.000 1.041 1302 A CA -0.296 51.606 52.037 -0.226 0.000 0.708 1302 A CB 1.403 20.269 19.000 -0.223 0.000 1.257 1302 A HN 0.760 nan 8.150 nan 0.000 0.414 1303 G N 0.767 109.416 108.800 -0.252 0.000 2.647 1303 G HA2 0.468 4.428 3.960 0.000 0.000 0.234 1303 G HA3 0.468 4.428 3.960 0.000 0.000 0.234 1303 G C 0.066 174.819 174.900 -0.244 0.000 1.252 1303 G CA 0.536 45.423 45.100 -0.355 0.000 0.846 1303 G HN 1.054 nan 8.290 nan 0.000 0.589 1304 F N -1.410 118.431 119.950 -0.182 0.000 2.174 1304 F HA -0.149 4.378 4.527 0.000 0.000 0.316 1304 F C 1.540 177.218 175.800 -0.202 0.000 0.129 1304 F CA 0.407 58.280 58.000 -0.211 0.000 0.907 1304 F CB -1.387 37.488 39.000 -0.209 0.000 4.109 1304 F HN 0.965 nan 8.300 nan 0.000 0.156 1305 G N -0.454 108.349 108.800 0.006 0.000 2.611 1305 G HA2 0.528 4.488 3.960 0.000 0.000 0.273 1305 G HA3 0.528 4.488 3.960 0.000 0.000 0.273 1305 G C 0.776 175.612 174.900 -0.107 0.000 1.305 1305 G CA -0.049 44.961 45.100 -0.150 0.000 1.010 1305 G HN 1.315 nan 8.290 nan 0.000 0.509 1306 A N -0.380 122.300 122.820 -0.233 0.000 2.067 1306 A HA -0.040 4.281 4.320 0.000 0.000 0.219 1306 A C 1.939 179.675 177.584 0.254 0.000 1.158 1306 A CA 1.993 54.016 52.037 -0.023 0.000 0.661 1306 A CB -0.363 18.618 19.000 -0.031 0.000 0.801 1306 A HN 0.690 nan 8.150 nan 0.000 0.452 1307 D N -0.330 120.296 120.400 0.376 0.000 2.312 1307 D HA -0.064 4.577 4.640 0.000 0.000 0.211 1307 D C 1.495 178.060 176.300 0.443 0.000 0.964 1307 D CA 0.882 55.199 54.000 0.529 0.000 0.877 1307 D CB -0.141 40.989 40.800 0.550 0.000 0.924 1307 D HN 0.524 nan 8.370 nan 0.000 0.515 1308 L N -0.392 120.991 121.223 0.266 0.000 2.862 1308 L HA 0.292 4.633 4.340 0.000 0.000 0.169 1308 L C 2.690 179.663 176.870 0.172 0.000 1.164 1308 L CA 0.517 55.510 54.840 0.256 0.000 0.858 1308 L CB -0.900 41.310 42.059 0.253 0.000 1.329 1308 L HN 0.041 nan 8.230 nan 0.000 0.514 1309 G N 0.379 109.237 108.800 0.096 0.000 2.514 1309 G HA2 -0.290 3.670 3.960 0.000 0.000 0.217 1309 G HA3 -0.290 3.670 3.960 0.000 0.000 0.217 1309 G C 1.691 176.559 174.900 -0.054 0.000 1.198 1309 G CA 1.212 46.310 45.100 -0.003 0.000 0.780 1309 G HN 0.417 nan 8.290 nan 0.000 0.565 1310 A N 1.453 124.198 122.820 -0.125 0.000 1.883 1310 A HA -0.097 4.223 4.320 0.000 0.000 0.217 1310 A C 2.219 179.552 177.584 -0.420 0.000 1.186 1310 A CA 2.488 54.312 52.037 -0.354 0.000 0.624 1310 A CB -0.586 18.267 19.000 -0.245 0.000 0.822 1310 A HN 0.562 nan 8.150 nan 0.000 0.444 1311 E N 0.637 120.813 120.200 -0.041 0.000 2.077 1311 E HA -0.209 4.141 4.350 0.000 0.000 0.193 1311 E C 1.722 178.404 176.600 0.136 0.000 0.989 1311 E CA 2.060 58.538 56.400 0.131 0.000 0.800 1311 E CB -0.398 29.527 29.700 0.375 0.000 0.746 1311 E HN 0.624 nan 8.360 nan 0.000 0.452 1312 K N -0.774 119.704 120.400 0.129 0.000 2.228 1312 K HA -0.001 4.319 4.320 0.000 0.000 0.202 1312 K C 1.915 178.562 176.600 0.080 0.000 1.051 1312 K CA 0.885 57.255 56.287 0.138 0.000 0.960 1312 K CB -0.278 32.329 32.500 0.178 0.000 0.743 1312 K HN 0.156 nan 8.250 nan 0.000 0.458 1313 F N 0.945 120.810 119.950 -0.142 0.000 2.146 1313 F HA -0.190 4.337 4.527 0.000 0.000 0.298 1313 F C 1.683 177.422 175.800 -0.101 0.000 1.096 1313 F CA 1.376 59.270 58.000 -0.176 0.000 1.275 1313 F CB -0.193 38.589 39.000 -0.364 0.000 1.008 1313 F HN -0.027 nan 8.300 nan 0.000 0.480 1314 Y N 0.128 120.410 120.300 -0.030 0.000 2.130 1314 Y HA -0.178 4.372 4.550 0.000 0.000 0.287 1314 Y C 2.238 178.198 175.900 0.100 0.000 1.124 1314 Y CA 0.653 58.766 58.100 0.022 0.000 1.118 1314 Y CB -0.446 37.896 38.460 -0.196 0.000 0.994 1314 Y HN -0.084 nan 8.280 nan 0.000 0.497 1315 D N -0.731 119.806 120.400 0.229 0.000 2.348 1315 D HA -0.057 4.583 4.640 0.000 0.000 0.216 1315 D C 1.456 177.722 176.300 -0.056 0.000 0.970 1315 D CA 0.720 54.765 54.000 0.076 0.000 0.889 1315 D CB 0.417 41.294 40.800 0.128 0.000 0.912 1315 D HN 0.178 nan 8.370 nan 0.000 0.524 1316 V N -0.343 119.486 119.914 -0.143 0.000 3.134 1316 V HA 0.018 4.138 4.120 0.000 0.000 0.222 1316 V C 2.133 177.833 176.094 -0.656 0.000 1.247 1316 V CA 0.011 62.047 62.300 -0.440 0.000 1.281 1316 V CB 0.054 31.638 31.823 -0.399 0.000 1.169 1316 V HN -0.108 nan 8.190 nan 0.000 0.512 1317 K N -0.010 120.113 120.400 -0.463 0.000 2.009 1317 K HA -0.212 4.108 4.320 0.000 0.000 0.210 1317 K C 2.168 178.510 176.600 -0.431 0.000 1.049 1317 K CA 2.339 58.367 56.287 -0.431 0.000 0.929 1317 K CB -0.361 31.966 32.500 -0.287 0.000 0.714 1317 K HN 0.538 nan 8.250 nan 0.000 0.440 1318 C N 0.530 119.579 119.300 -0.418 0.000 2.435 1318 C HA -0.000 4.460 4.460 0.000 0.000 0.279 1318 C C 2.746 177.672 174.990 -0.107 0.000 1.321 1318 C CA 0.636 59.477 59.018 -0.295 0.000 1.752 1318 C CB -0.935 26.625 27.740 -0.301 0.000 1.959 1318 C HN 0.574 nan 8.230 nan 0.000 0.500 1319 R N -0.101 120.378 120.500 -0.035 0.000 2.073 1319 R HA -0.125 4.215 4.340 0.000 0.000 0.234 1319 R C 2.079 178.441 176.300 0.103 0.000 1.134 1319 R CA 1.722 57.858 56.100 0.060 0.000 0.952 1319 R CB -0.536 29.790 30.300 0.044 0.000 0.850 1319 R HN 0.645 nan 8.270 nan 0.000 0.433 1320 Y N -0.199 120.006 120.300 -0.158 0.000 2.133 1320 Y HA -0.132 4.419 4.550 0.001 0.000 0.287 1320 Y C 2.568 178.314 175.900 -0.257 0.000 1.134 1320 Y CA 0.341 58.332 58.100 -0.182 0.000 1.133 1320 Y CB -0.104 38.236 38.460 -0.200 0.000 0.987 1320 Y HN 0.306 nan 8.280 nan 0.000 0.502 1321 A N -0.198 122.469 122.820 -0.256 0.000 2.066 1321 A HA 0.145 4.465 4.320 0.000 0.000 0.218 1321 A C 1.981 179.267 177.584 -0.496 0.000 1.157 1321 A CA 1.265 52.943 52.037 -0.599 0.000 0.670 1321 A CB -1.053 17.099 19.000 -1.413 0.000 0.804 1321 A HN 0.679 nan 8.150 nan 0.000 0.453 1322 G N -2.097 106.542 108.800 -0.268 0.000 2.141 1322 G HA2 -0.259 3.701 3.960 0.000 0.000 0.242 1322 G HA3 -0.259 3.701 3.960 0.000 0.000 0.242 1322 G C 0.150 175.088 174.900 0.064 0.000 0.982 1322 G CA 0.064 45.129 45.100 -0.057 0.000 0.662 1322 G HN 0.428 nan 8.290 nan 0.000 0.527 1323 F N 0.420 120.335 119.950 -0.057 0.000 2.490 1323 F HA 0.438 4.965 4.527 0.001 0.000 0.336 1323 F C 1.317 176.999 175.800 -0.197 0.000 1.178 1323 F CA -0.072 57.855 58.000 -0.123 0.000 1.301 1323 F CB 0.636 39.510 39.000 -0.210 0.000 1.175 1323 F HN -0.145 nan 8.300 nan 0.000 0.593 1324 K N 2.705 123.108 120.400 0.005 0.000 2.752 1324 K HA 0.273 4.593 4.320 0.000 0.000 0.199 1324 K C -2.668 173.831 176.600 -0.170 0.000 1.069 1324 K CA -1.760 54.448 56.287 -0.132 0.000 1.033 1324 K CB 1.286 33.850 32.500 0.107 0.000 1.229 1324 K HN 0.154 nan 8.250 nan 0.000 0.572 1325 P HA -0.136 nan 4.420 nan 0.000 0.263 1325 P C -0.131 177.174 177.300 0.009 0.000 1.168 1325 P CA 0.547 63.599 63.100 -0.080 0.000 0.759 1325 P CB 0.609 32.319 31.700 0.016 0.000 0.782 1326 D N 1.157 121.580 120.400 0.039 0.000 2.355 1326 D HA 0.226 4.866 4.640 0.000 0.000 0.206 1326 D C 0.586 176.930 176.300 0.074 0.000 1.010 1326 D CA 0.686 54.718 54.000 0.054 0.000 0.875 1326 D CB 0.610 41.435 40.800 0.042 0.000 0.966 1326 D HN 0.421 nan 8.370 nan 0.000 0.512 1327 A N -0.382 122.488 122.820 0.083 0.000 2.586 1327 A HA 0.590 4.910 4.320 0.000 0.000 0.291 1327 A C -1.197 176.443 177.584 0.093 0.000 1.062 1327 A CA -0.476 51.614 52.037 0.088 0.000 0.666 1327 A CB 1.719 20.762 19.000 0.073 0.000 1.281 1327 A HN -0.106 nan 8.150 nan 0.000 0.421 1328 T N 0.440 115.050 114.554 0.093 0.000 2.952 1328 T HA 0.575 4.925 4.350 0.000 0.000 0.305 1328 T C -1.273 173.453 174.700 0.044 0.000 1.064 1328 T CA -0.333 61.810 62.100 0.072 0.000 1.008 1328 T CB 1.574 70.536 68.868 0.157 0.000 1.078 1328 T HN 0.849 nan 8.240 nan 0.000 0.459 1329 V N 4.102 124.015 119.914 -0.001 0.000 2.459 1329 V HA 0.584 4.704 4.120 0.000 0.000 0.295 1329 V C -0.247 175.834 176.094 -0.021 0.000 1.029 1329 V CA -0.845 61.453 62.300 -0.002 0.000 0.874 1329 V CB 1.638 33.452 31.823 -0.014 0.000 0.985 1329 V HN 0.815 nan 8.190 nan 0.000 0.438 1330 I N 5.441 126.011 120.570 -0.001 0.000 2.389 1330 I HA 0.536 4.706 4.170 0.000 0.000 0.288 1330 I C -0.682 175.426 176.117 -0.014 0.000 0.999 1330 I CA -0.512 60.773 61.300 -0.024 0.000 1.129 1330 I CB 1.573 39.570 38.000 -0.006 0.000 1.288 1330 I HN 0.361 nan 8.210 nan 0.000 0.444 1331 V N 7.634 127.525 119.914 -0.039 0.000 2.498 1331 V HA 0.773 4.893 4.120 0.000 0.000 0.279 1331 V C 0.398 176.481 176.094 -0.018 0.000 1.048 1331 V CA -0.148 62.141 62.300 -0.018 0.000 0.967 1331 V CB 0.919 32.724 31.823 -0.030 0.000 0.988 1331 V HN 0.854 nan 8.190 nan 0.000 0.473 1332 A N 3.667 126.498 122.820 0.018 0.000 2.556 1332 A HA 0.951 5.271 4.320 0.000 0.000 0.294 1332 A C -0.268 177.340 177.584 0.040 0.000 1.091 1332 A CA -0.343 51.711 52.037 0.028 0.000 0.704 1332 A CB 2.249 21.281 19.000 0.054 0.000 1.300 1332 A HN 0.875 nan 8.150 nan 0.000 0.406 1333 T N -1.802 112.766 114.554 0.022 0.000 2.916 1333 T HA 0.544 4.895 4.350 0.000 0.000 0.292 1333 T C 0.687 175.395 174.700 0.014 0.000 1.064 1333 T CA -0.166 61.937 62.100 0.005 0.000 1.011 1333 T CB 1.091 69.912 68.868 -0.079 0.000 1.152 1333 T HN 0.640 nan 8.240 nan 0.000 0.510 1334 V N 1.251 121.171 119.914 0.010 0.000 2.427 1334 V HA -0.106 4.014 4.120 0.000 0.000 0.248 1334 V C 2.874 178.954 176.094 -0.024 0.000 1.051 1334 V CA 1.514 63.822 62.300 0.013 0.000 1.048 1334 V CB -0.866 30.966 31.823 0.015 0.000 0.666 1334 V HN 0.797 nan 8.190 nan 0.000 0.456 1335 R N 0.485 120.927 120.500 -0.097 0.000 2.075 1335 R HA -0.110 4.230 4.340 0.000 0.000 0.230 1335 R C 2.532 178.758 176.300 -0.123 0.000 1.140 1335 R CA 1.550 57.562 56.100 -0.148 0.000 0.928 1335 R CB -0.896 29.220 30.300 -0.307 0.000 0.834 1335 R HN 0.477 nan 8.270 nan 0.000 0.429 1336 A N 1.365 124.105 122.820 -0.132 0.000 1.927 1336 A HA -0.200 4.120 4.320 0.000 0.000 0.220 1336 A C 2.113 179.682 177.584 -0.025 0.000 1.185 1336 A CA 1.426 53.398 52.037 -0.109 0.000 0.639 1336 A CB -0.524 18.437 19.000 -0.066 0.000 0.820 1336 A HN 0.147 nan 8.150 nan 0.000 0.451 1337 L N -0.345 120.913 121.223 0.058 0.000 2.093 1337 L HA -0.093 4.247 4.340 0.000 0.000 0.208 1337 L C 2.269 179.200 176.870 0.101 0.000 1.085 1337 L CA 1.914 56.844 54.840 0.149 0.000 0.755 1337 L CB -0.604 41.537 42.059 0.136 0.000 0.904 1337 L HN 0.367 nan 8.230 nan 0.000 0.435 1338 K N -1.458 118.959 120.400 0.027 0.000 2.362 1338 K HA -0.078 4.242 4.320 0.000 0.000 0.200 1338 K C 1.966 178.551 176.600 -0.025 0.000 1.046 1338 K CA 0.849 57.142 56.287 0.010 0.000 0.952 1338 K CB -0.063 32.429 32.500 -0.013 0.000 0.753 1338 K HN 0.341 nan 8.250 nan 0.000 0.466 1339 M N -0.214 119.333 119.600 -0.088 0.000 2.349 1339 M HA -0.081 4.399 4.480 0.000 0.000 0.266 1339 M C 1.400 177.599 176.300 -0.167 0.000 1.076 1339 M CA 1.104 56.308 55.300 -0.161 0.000 1.126 1339 M CB -0.064 32.384 32.600 -0.254 0.000 1.392 1339 M HN 0.181 nan 8.290 nan 0.000 0.440 1340 H N -1.014 118.046 119.070 -0.017 0.000 2.555 1340 H HA 0.098 4.654 4.556 0.000 0.000 0.269 1340 H C 1.860 177.195 175.328 0.011 0.000 0.988 1340 H CA 1.098 57.143 56.048 -0.004 0.000 1.178 1340 H CB -0.127 29.639 29.762 0.008 0.000 1.373 1340 H HN 0.394 nan 8.280 nan 0.000 0.588 1341 G N -1.122 107.738 108.800 0.100 0.000 3.126 1341 G HA2 0.289 4.249 3.960 0.000 0.000 0.224 1341 G HA3 0.289 4.249 3.960 0.000 0.000 0.224 1341 G C 1.227 176.147 174.900 0.034 0.000 1.142 1341 G CA 0.489 45.634 45.100 0.074 0.000 0.759 1341 G HN 0.533 nan 8.290 nan 0.000 0.550 1342 G N -0.800 108.005 108.800 0.008 0.000 2.352 1342 G HA2 -0.234 3.726 3.960 0.000 0.000 0.204 1342 G HA3 -0.234 3.726 3.960 0.000 0.000 0.204 1342 G C 0.379 175.262 174.900 -0.029 0.000 1.004 1342 G CA -0.062 45.032 45.100 -0.010 0.000 0.648 1342 G HN 0.652 nan 8.290 nan 0.000 0.491 1343 V N 3.626 123.522 119.914 -0.030 0.000 2.617 1343 V HA 0.313 4.433 4.120 0.000 0.000 0.304 1343 V C -1.192 174.866 176.094 -0.060 0.000 1.040 1343 V CA -0.194 62.083 62.300 -0.040 0.000 1.149 1343 V CB 0.843 32.644 31.823 -0.036 0.000 0.914 1343 V HN 0.252 nan 8.190 nan 0.000 0.487 1344 P HA 0.142 nan 4.420 nan 0.000 0.274 1344 P C 0.708 177.962 177.300 -0.076 0.000 1.237 1344 P CA -0.506 62.554 63.100 -0.067 0.000 0.793 1344 P CB 0.603 32.271 31.700 -0.053 0.000 0.977 1345 K N 0.852 121.199 120.400 -0.088 0.000 2.209 1345 K HA -0.112 4.209 4.320 0.000 0.000 0.204 1345 K C 1.402 177.957 176.600 -0.075 0.000 1.048 1345 K CA 1.590 57.820 56.287 -0.096 0.000 0.940 1345 K CB -0.234 32.203 32.500 -0.104 0.000 0.729 1345 K HN 0.308 nan 8.250 nan 0.000 0.451 1346 S N 1.263 116.927 115.700 -0.060 0.000 2.428 1346 S HA -0.073 4.397 4.470 0.000 0.000 0.230 1346 S C 0.303 174.883 174.600 -0.034 0.000 1.014 1346 S CA 1.243 59.416 58.200 -0.044 0.000 0.957 1346 S CB 0.041 63.217 63.200 -0.039 0.000 0.784 1346 S HN 0.405 nan 8.310 nan 0.000 0.499 1347 D N 0.538 120.916 120.400 -0.037 0.000 2.593 1347 D HA 0.285 4.925 4.640 0.000 0.000 0.241 1347 D C 0.909 177.192 176.300 -0.028 0.000 1.257 1347 D CA -0.086 53.898 54.000 -0.026 0.000 0.828 1347 D CB -0.157 40.629 40.800 -0.023 0.000 1.049 1347 D HN 0.255 nan 8.370 nan 0.000 0.490 1348 L N 0.386 121.584 121.223 -0.042 0.000 2.362 1348 L HA -0.024 4.316 4.340 0.000 0.000 0.219 1348 L C 2.203 179.059 176.870 -0.024 0.000 1.134 1348 L CA 0.714 55.523 54.840 -0.052 0.000 0.807 1348 L CB -0.165 41.835 42.059 -0.098 0.000 0.927 1348 L HN 0.089 nan 8.230 nan 0.000 0.447 1349 A N -0.889 121.934 122.820 0.005 0.000 1.970 1349 A HA -0.010 4.310 4.320 0.000 0.000 0.216 1349 A C 1.281 178.881 177.584 0.027 0.000 1.170 1349 A CA 0.581 52.643 52.037 0.042 0.000 0.645 1349 A CB -0.416 18.616 19.000 0.054 0.000 0.816 1349 A HN 0.280 nan 8.150 nan 0.000 0.447 1350 T N 1.649 116.208 114.554 0.009 0.000 2.888 1350 T HA 0.228 4.578 4.350 0.000 0.000 0.301 1350 T C 0.144 174.845 174.700 0.003 0.000 1.001 1350 T CA -0.160 61.943 62.100 0.005 0.000 1.147 1350 T CB 0.590 69.457 68.868 -0.002 0.000 0.931 1350 T HN 0.540 nan 8.240 nan 0.000 0.541 1351 E N 2.963 123.164 120.200 0.003 0.000 2.465 1351 E HA -0.035 4.315 4.350 0.000 0.000 0.260 1351 E C -0.075 176.523 176.600 -0.003 0.000 0.980 1351 E CA -0.069 56.330 56.400 -0.000 0.000 0.927 1351 E CB 0.286 29.984 29.700 -0.002 0.000 0.934 1351 E HN 0.487 nan 8.360 nan 0.000 0.459 1352 N N 5.040 123.737 118.700 -0.004 0.000 2.827 1352 N HA 0.058 4.798 4.740 0.000 0.000 0.240 1352 N C -0.357 175.152 175.510 -0.001 0.000 1.352 1352 N CA -0.292 52.757 53.050 -0.002 0.000 0.760 1352 N CB 0.583 39.069 38.487 -0.002 0.000 1.426 1352 N HN 0.446 nan 8.380 nan 0.000 0.561 1353 L N 1.443 122.663 121.223 -0.005 0.000 2.131 1353 L HA -0.014 4.327 4.340 0.000 0.000 0.210 1353 L C 2.095 178.966 176.870 0.001 0.000 1.092 1353 L CA 1.512 56.347 54.840 -0.008 0.000 0.759 1353 L CB -0.173 41.876 42.059 -0.017 0.000 0.903 1353 L HN 0.468 nan 8.230 nan 0.000 0.435 1354 E N -0.494 119.709 120.200 0.005 0.000 2.072 1354 E HA -0.090 4.260 4.350 0.000 0.000 0.190 1354 E C 2.333 178.949 176.600 0.026 0.000 0.982 1354 E CA 1.283 57.691 56.400 0.013 0.000 0.803 1354 E CB -0.464 29.242 29.700 0.010 0.000 0.755 1354 E HN 0.429 nan 8.360 nan 0.000 0.453 1355 A N 1.706 124.540 122.820 0.023 0.000 1.930 1355 A HA -0.067 4.253 4.320 0.000 0.000 0.217 1355 A C 2.271 179.887 177.584 0.054 0.000 1.175 1355 A CA 0.794 52.851 52.037 0.033 0.000 0.627 1355 A CB -0.627 18.383 19.000 0.017 0.000 0.815 1355 A HN 0.219 nan 8.150 nan 0.000 0.443 1356 L N -0.839 120.412 121.223 0.046 0.000 2.056 1356 L HA -0.147 4.193 4.340 0.000 0.000 0.207 1356 L C 2.748 179.682 176.870 0.108 0.000 1.078 1356 L CA 1.890 56.771 54.840 0.069 0.000 0.749 1356 L CB -0.326 41.754 42.059 0.035 0.000 0.901 1356 L HN 0.524 nan 8.230 nan 0.000 0.433 1357 R N -0.485 120.056 120.500 0.067 0.000 2.115 1357 R HA -0.161 4.179 4.340 0.000 0.000 0.230 1357 R C 2.017 178.399 176.300 0.137 0.000 1.111 1357 R CA 1.231 57.372 56.100 0.068 0.000 0.976 1357 R CB 0.077 30.385 30.300 0.013 0.000 0.870 1357 R HN 0.339 nan 8.270 nan 0.000 0.445 1358 E N -0.541 119.727 120.200 0.114 0.000 2.112 1358 E HA -0.032 4.318 4.350 0.000 0.000 0.190 1358 E C 1.867 178.555 176.600 0.147 0.000 0.979 1358 E CA 1.222 57.693 56.400 0.118 0.000 0.814 1358 E CB -0.262 29.486 29.700 0.081 0.000 0.762 1358 E HN 0.558 nan 8.360 nan 0.000 0.460 1359 G N 0.481 109.375 108.800 0.157 0.000 2.443 1359 G HA2 -0.252 3.709 3.960 0.000 0.000 0.219 1359 G HA3 -0.252 3.709 3.960 0.000 0.000 0.219 1359 G C 1.446 176.447 174.900 0.168 0.000 1.131 1359 G CA 0.268 45.475 45.100 0.178 0.000 0.775 1359 G HN 0.233 nan 8.290 nan 0.000 0.547 1360 F N 2.634 122.625 119.950 0.068 0.000 2.147 1360 F HA -0.133 4.394 4.527 0.000 0.000 0.301 1360 F C 2.721 178.558 175.800 0.062 0.000 1.084 1360 F CA 1.185 59.224 58.000 0.065 0.000 1.268 1360 F CB -0.223 38.810 39.000 0.055 0.000 1.009 1360 F HN 0.240 nan 8.300 nan 0.000 0.486 1361 A N 0.201 123.098 122.820 0.128 0.000 1.971 1361 A HA -0.382 3.938 4.320 0.000 0.000 0.222 1361 A C 2.005 179.546 177.584 -0.073 0.000 1.182 1361 A CA 2.332 54.395 52.037 0.042 0.000 0.649 1361 A CB -1.397 17.653 19.000 0.082 0.000 0.818 1361 A HN 0.630 nan 8.150 nan 0.000 0.458 1362 N N -0.595 118.051 118.700 -0.091 0.000 2.039 1362 N HA -0.146 4.595 4.740 0.000 0.000 0.193 1362 N C 1.604 177.056 175.510 -0.098 0.000 1.044 1362 N CA 1.694 54.676 53.050 -0.112 0.000 0.847 1362 N CB -0.327 37.904 38.487 -0.426 0.000 1.030 1362 N HN 0.330 nan 8.380 nan 0.000 0.422 1363 L N 1.432 122.530 121.223 -0.210 0.000 2.079 1363 L HA -0.100 4.240 4.340 0.000 0.000 0.210 1363 L C 2.081 178.772 176.870 -0.299 0.000 1.081 1363 L CA 1.859 56.570 54.840 -0.216 0.000 0.752 1363 L CB -1.074 40.738 42.059 -0.411 0.000 0.896 1363 L HN 0.383 nan 8.230 nan 0.000 0.433 1364 E N -0.620 119.244 120.200 -0.561 0.000 2.118 1364 E HA -0.317 4.033 4.350 0.000 0.000 0.195 1364 E C 2.127 178.672 176.600 -0.093 0.000 0.992 1364 E CA 1.332 57.548 56.400 -0.305 0.000 0.804 1364 E CB -0.041 29.560 29.700 -0.165 0.000 0.741 1364 E HN 0.404 nan 8.360 nan 0.000 0.458 1365 K N 0.109 120.446 120.400 -0.105 0.000 2.097 1365 K HA -0.146 4.174 4.320 0.000 0.000 0.205 1365 K C 1.952 178.534 176.600 -0.030 0.000 1.050 1365 K CA 1.600 57.807 56.287 -0.132 0.000 0.938 1365 K CB -0.252 32.054 32.500 -0.324 0.000 0.718 1365 K HN 0.278 nan 8.250 nan 0.000 0.442 1366 H N 0.267 119.441 119.070 0.174 0.000 2.423 1366 H HA -0.052 4.504 4.556 0.000 0.000 0.297 1366 H C 1.860 177.274 175.328 0.143 0.000 1.075 1366 H CA 1.464 57.635 56.048 0.206 0.000 1.342 1366 H CB 0.035 29.885 29.762 0.147 0.000 1.395 1366 H HN 0.139 nan 8.280 nan 0.000 0.530 1367 I N 1.250 121.933 120.570 0.189 0.000 2.090 1367 I HA -0.232 3.938 4.170 0.000 0.000 0.236 1367 I C 2.251 178.458 176.117 0.149 0.000 1.064 1367 I CA 1.139 62.528 61.300 0.148 0.000 1.324 1367 I CB -1.199 36.862 38.000 0.102 0.000 1.044 1367 I HN 0.240 nan 8.210 nan 0.000 0.399 1368 E N 0.900 121.163 120.200 0.105 0.000 2.086 1368 E HA -0.268 4.083 4.350 0.000 0.000 0.200 1368 E C 1.966 178.636 176.600 0.117 0.000 1.012 1368 E CA 1.617 58.067 56.400 0.084 0.000 0.812 1368 E CB -0.225 29.496 29.700 0.035 0.000 0.743 1368 E HN 0.481 nan 8.360 nan 0.000 0.453 1369 N N 0.861 119.656 118.700 0.158 0.000 2.025 1369 N HA -0.168 4.572 4.740 0.000 0.000 0.194 1369 N C 1.955 177.693 175.510 0.380 0.000 1.044 1369 N CA 1.111 54.309 53.050 0.246 0.000 0.851 1369 N CB -0.444 38.245 38.487 0.337 0.000 1.036 1369 N HN 0.172 nan 8.380 nan 0.000 0.422 1370 I N 0.690 121.504 120.570 0.406 0.000 2.315 1370 I HA -0.228 3.942 4.170 0.000 0.000 0.251 1370 I C 2.271 178.590 176.117 0.337 0.000 1.125 1370 I CA 1.392 62.964 61.300 0.453 0.000 1.392 1370 I CB -0.605 37.590 38.000 0.325 0.000 1.065 1370 I HN 0.193 nan 8.210 nan 0.000 0.424 1371 G N 0.635 109.565 108.800 0.217 0.000 2.443 1371 G HA2 -0.203 3.757 3.960 0.000 0.000 0.219 1371 G HA3 -0.203 3.757 3.960 0.000 0.000 0.219 1371 G C 1.599 176.550 174.900 0.085 0.000 1.131 1371 G CA 0.299 45.478 45.100 0.132 0.000 0.775 1371 G HN 0.367 nan 8.290 nan 0.000 0.547 1372 K N -0.467 119.961 120.400 0.048 0.000 2.555 1372 K HA 0.114 4.434 4.320 0.000 0.000 0.193 1372 K C 0.877 177.316 176.600 -0.268 0.000 1.032 1372 K CA 0.241 56.462 56.287 -0.110 0.000 1.004 1372 K CB -0.058 32.309 32.500 -0.220 0.000 0.804 1372 K HN 0.420 nan 8.250 nan 0.000 0.496 1373 F N -0.566 119.315 119.950 -0.116 0.000 2.678 1373 F HA 0.207 4.735 4.527 0.000 0.000 0.305 1373 F C 1.441 176.767 175.800 -0.790 0.000 1.090 1373 F CA 0.057 57.784 58.000 -0.455 0.000 1.272 1373 F CB 1.136 39.765 39.000 -0.618 0.000 1.060 1373 F HN 0.123 nan 8.300 nan 0.000 0.576 1374 G N 0.935 109.551 108.800 -0.307 0.000 2.176 1374 G HA2 -0.233 3.727 3.960 0.000 0.000 0.253 1374 G HA3 -0.233 3.727 3.960 0.000 0.000 0.253 1374 G C -0.014 174.871 174.900 -0.025 0.000 0.979 1374 G CA 0.171 45.138 45.100 -0.222 0.000 0.641 1374 G HN 0.462 nan 8.290 nan 0.000 0.530 1375 V N 0.473 120.408 119.914 0.034 0.000 2.435 1375 V HA 0.833 4.953 4.120 0.000 0.000 0.290 1375 V C -1.975 174.182 176.094 0.105 0.000 1.030 1375 V CA -2.011 60.343 62.300 0.090 0.000 0.881 1375 V CB 1.810 33.707 31.823 0.123 0.000 0.983 1375 V HN 0.150 nan 8.190 nan 0.000 0.445 1376 P HA 0.339 nan 4.420 nan 0.000 0.271 1376 P C -0.542 176.819 177.300 0.102 0.000 1.216 1376 P CA 0.074 63.229 63.100 0.091 0.000 0.776 1376 P CB 1.305 33.050 31.700 0.076 0.000 0.881 1377 A N 3.037 125.919 122.820 0.103 0.000 2.325 1377 A HA 0.646 4.966 4.320 0.000 0.000 0.333 1377 A C -0.696 176.938 177.584 0.083 0.000 1.155 1377 A CA -0.648 51.452 52.037 0.104 0.000 0.814 1377 A CB 1.165 20.239 19.000 0.124 0.000 1.206 1377 A HN 0.356 nan 8.150 nan 0.000 0.482 1378 V N 2.218 122.174 119.914 0.070 0.000 2.638 1378 V HA 0.364 4.484 4.120 0.000 0.000 0.306 1378 V C -0.372 175.755 176.094 0.055 0.000 1.052 1378 V CA -0.590 61.744 62.300 0.057 0.000 0.885 1378 V CB 1.722 33.568 31.823 0.039 0.000 0.999 1378 V HN 0.687 nan 8.190 nan 0.000 0.424 1379 V N 3.633 123.587 119.914 0.068 0.000 2.465 1379 V HA 0.703 4.823 4.120 0.000 0.000 0.279 1379 V C 0.561 176.694 176.094 0.065 0.000 1.045 1379 V CA -0.220 62.126 62.300 0.077 0.000 0.938 1379 V CB 1.577 33.474 31.823 0.123 0.000 0.986 1379 V HN 1.010 nan 8.190 nan 0.000 0.467 1380 A N 6.595 129.449 122.820 0.057 0.000 2.277 1380 A HA 0.695 5.015 4.320 0.000 0.000 0.318 1380 A C -0.528 177.104 177.584 0.080 0.000 1.339 1380 A CA -0.520 51.550 52.037 0.055 0.000 0.875 1380 A CB 0.197 19.216 19.000 0.031 0.000 1.158 1380 A HN 0.607 nan 8.150 nan 0.000 0.514 1381 I N 3.078 123.719 120.570 0.118 0.000 2.322 1381 I HA 0.098 4.269 4.170 0.000 0.000 0.292 1381 I C 0.438 176.631 176.117 0.126 0.000 1.060 1381 I CA -0.267 61.121 61.300 0.148 0.000 1.309 1381 I CB 0.398 38.549 38.000 0.250 0.000 1.415 1381 I HN 0.649 nan 8.210 nan 0.000 0.492 1382 N N 6.155 124.913 118.700 0.096 0.000 2.421 1382 N HA 0.144 4.885 4.740 0.000 0.000 0.260 1382 N C 0.031 175.618 175.510 0.129 0.000 1.173 1382 N CA -0.153 52.954 53.050 0.096 0.000 0.960 1382 N CB 0.816 39.335 38.487 0.054 0.000 1.273 1382 N HN 0.720 nan 8.380 nan 0.000 0.497 1383 A N 3.625 126.536 122.820 0.150 0.000 2.587 1383 A HA 0.080 4.400 4.320 0.000 0.000 0.235 1383 A C -0.431 177.275 177.584 0.203 0.000 1.044 1383 A CA 0.482 52.618 52.037 0.164 0.000 0.754 1383 A CB -0.129 18.959 19.000 0.147 0.000 0.968 1383 A HN 0.658 nan 8.150 nan 0.000 0.509 1384 F N 3.192 123.144 119.950 0.004 0.000 2.578 1384 F HA 0.551 5.078 4.527 0.000 0.000 0.311 1384 F C -2.000 173.794 175.800 -0.010 0.000 1.094 1384 F CA -1.872 56.107 58.000 -0.036 0.000 0.923 1384 F CB 2.114 41.076 39.000 -0.062 0.000 1.230 1384 F HN 0.410 nan 8.300 nan 0.000 0.450 1385 P HA -0.196 nan 4.420 nan 0.000 0.215 1385 P C 1.472 178.699 177.300 -0.122 0.000 1.163 1385 P CA 2.819 65.727 63.100 -0.321 0.000 0.894 1385 P CB -0.118 31.312 31.700 -0.450 0.000 0.791 1386 T N -4.224 110.305 114.554 -0.043 0.000 3.007 1386 T HA -0.056 4.294 4.350 0.000 0.000 0.270 1386 T C 0.559 175.321 174.700 0.103 0.000 1.107 1386 T CA 0.329 62.479 62.100 0.084 0.000 1.118 1386 T CB -0.955 68.013 68.868 0.167 0.000 0.889 1386 T HN 0.009 nan 8.240 nan 0.000 0.506 1387 D N 3.232 123.715 120.400 0.139 0.000 2.449 1387 D HA 0.206 4.846 4.640 0.000 0.000 0.236 1387 D C 0.785 177.106 176.300 0.035 0.000 1.149 1387 D CA 0.501 54.553 54.000 0.085 0.000 0.878 1387 D CB 1.013 41.869 40.800 0.093 0.000 1.198 1387 D HN 0.554 nan 8.370 nan 0.000 0.446 1388 T N -1.749 112.810 114.554 0.009 0.000 2.952 1388 T HA 0.241 4.591 4.350 0.000 0.000 0.286 1388 T C 1.067 175.750 174.700 -0.029 0.000 1.024 1388 T CA -0.822 61.275 62.100 -0.006 0.000 1.029 1388 T CB 1.836 70.699 68.868 -0.008 0.000 1.094 1388 T HN 0.115 nan 8.240 nan 0.000 0.515 1389 E N 0.922 121.107 120.200 -0.024 0.000 2.051 1389 E HA -0.121 4.229 4.350 0.000 0.000 0.192 1389 E C 2.498 179.056 176.600 -0.070 0.000 0.991 1389 E CA 1.549 57.927 56.400 -0.037 0.000 0.799 1389 E CB -1.001 28.693 29.700 -0.010 0.000 0.748 1389 E HN 0.843 nan 8.360 nan 0.000 0.449 1390 A N 1.653 124.443 122.820 -0.049 0.000 1.948 1390 A HA -0.279 4.041 4.320 0.000 0.000 0.220 1390 A C 2.076 179.610 177.584 -0.083 0.000 1.177 1390 A CA 1.973 53.978 52.037 -0.054 0.000 0.636 1390 A CB -0.520 18.460 19.000 -0.033 0.000 0.815 1390 A HN 0.274 nan 8.150 nan 0.000 0.449 1391 E N -0.362 119.789 120.200 -0.083 0.000 2.016 1391 E HA -0.101 4.249 4.350 0.000 0.000 0.190 1391 E C 2.058 178.546 176.600 -0.185 0.000 0.985 1391 E CA 1.095 57.438 56.400 -0.094 0.000 0.802 1391 E CB -0.324 29.344 29.700 -0.053 0.000 0.762 1391 E HN 0.604 nan 8.360 nan 0.000 0.448 1392 L N 1.559 122.628 121.223 -0.257 0.000 2.013 1392 L HA -0.254 4.086 4.340 0.000 0.000 0.212 1392 L C 2.227 178.528 176.870 -0.947 0.000 1.073 1392 L CA 0.972 55.466 54.840 -0.576 0.000 0.753 1392 L CB -0.643 41.109 42.059 -0.510 0.000 0.890 1392 L HN 0.184 nan 8.230 nan 0.000 0.432 1393 N N 0.060 118.430 118.700 -0.550 0.000 2.149 1393 N HA -0.205 4.535 4.740 0.000 0.000 0.188 1393 N C 1.809 177.205 175.510 -0.190 0.000 1.019 1393 N CA 1.320 54.186 53.050 -0.306 0.000 0.857 1393 N CB -0.360 38.071 38.487 -0.092 0.000 0.997 1393 N HN 0.196 nan 8.380 nan 0.000 0.426 1394 L N 1.158 122.274 121.223 -0.179 0.000 1.994 1394 L HA -0.057 4.283 4.340 0.000 0.000 0.208 1394 L C 2.124 178.904 176.870 -0.150 0.000 1.071 1394 L CA 1.268 56.030 54.840 -0.130 0.000 0.745 1394 L CB -0.989 41.006 42.059 -0.107 0.000 0.892 1394 L HN 0.063 nan 8.230 nan 0.000 0.431 1395 L N -1.190 119.940 121.223 -0.156 0.000 2.127 1395 L HA -0.249 4.091 4.340 0.000 0.000 0.211 1395 L C 2.265 179.182 176.870 0.077 0.000 1.089 1395 L CA 1.817 56.626 54.840 -0.052 0.000 0.757 1395 L CB -0.787 41.278 42.059 0.010 0.000 0.899 1395 L HN 0.419 nan 8.230 nan 0.000 0.434 1396 Y N 0.202 120.507 120.300 0.007 0.000 2.114 1396 Y HA -0.269 4.282 4.550 0.000 0.000 0.284 1396 Y C 2.573 178.466 175.900 -0.011 0.000 1.143 1396 Y CA 1.002 59.114 58.100 0.020 0.000 1.135 1396 Y CB -0.285 38.186 38.460 0.019 0.000 0.980 1396 Y HN 0.411 nan 8.280 nan 0.000 0.499 1397 E N -0.196 120.073 120.200 0.116 0.000 2.152 1397 E HA -0.163 4.187 4.350 0.000 0.000 0.192 1397 E C 2.018 178.572 176.600 -0.077 0.000 0.983 1397 E CA 0.672 57.087 56.400 0.024 0.000 0.818 1397 E CB -0.314 29.386 29.700 -0.000 0.000 0.758 1397 E HN 0.290 nan 8.360 nan 0.000 0.467 1398 L N 1.327 122.409 121.223 -0.234 0.000 2.131 1398 L HA -0.093 4.247 4.340 0.000 0.000 0.210 1398 L C 1.682 178.325 176.870 -0.377 0.000 1.092 1398 L CA 1.024 55.501 54.840 -0.605 0.000 0.759 1398 L CB -0.909 40.340 42.059 -1.350 0.000 0.903 1398 L HN 0.394 nan 8.230 nan 0.000 0.435 1399 C N 1.144 120.444 119.300 -0.000 0.000 2.479 1399 C HA 0.094 4.554 4.460 0.000 0.000 0.337 1399 C C 1.539 176.645 174.990 0.194 0.000 1.429 1399 C CA -0.427 58.778 59.018 0.311 0.000 1.532 1399 C CB -2.287 25.630 27.740 0.294 0.000 1.563 1399 C HN 0.410 nan 8.230 nan 0.000 0.604 1400 A N 1.318 124.209 122.820 0.118 0.000 2.770 1400 A HA 0.313 4.633 4.320 0.000 0.000 0.292 1400 A C 1.215 178.870 177.584 0.119 0.000 1.604 1400 A CA 0.702 52.792 52.037 0.089 0.000 1.271 1400 A CB -0.278 18.749 19.000 0.045 0.000 1.075 1400 A HN 0.805 nan 8.150 nan 0.000 0.573 1401 K N -0.110 120.359 120.400 0.115 0.000 1.580 1401 K HA 0.211 4.531 4.320 0.000 0.000 0.094 1401 K C 0.067 176.726 176.600 0.098 0.000 2.352 1401 K CA 0.664 57.016 56.287 0.108 0.000 1.084 1401 K CB -0.575 32.005 32.500 0.133 0.000 2.614 1401 K HN 1.041 nan 8.250 nan 0.000 0.379 1402 A N 0.571 123.457 122.820 0.110 0.000 2.532 1402 A HA 0.734 5.054 4.320 0.000 0.000 0.290 1402 A C -0.394 177.238 177.584 0.081 0.000 1.143 1402 A CA -0.297 51.796 52.037 0.093 0.000 0.728 1402 A CB 1.335 20.396 19.000 0.101 0.000 1.317 1402 A HN 0.230 nan 8.150 nan 0.000 0.414 1403 G N -0.488 108.349 108.800 0.060 0.000 2.441 1403 G HA2 0.620 4.580 3.960 0.000 0.000 0.243 1403 G HA3 0.620 4.580 3.960 0.000 0.000 0.243 1403 G C 0.012 174.936 174.900 0.040 0.000 1.281 1403 G CA 0.642 45.765 45.100 0.038 0.000 0.854 1403 G HN 1.727 nan 8.290 nan 0.000 0.560 1404 A N 2.316 125.142 122.820 0.010 0.000 2.393 1404 A HA 0.814 5.134 4.320 0.000 0.000 0.306 1404 A C -0.593 176.929 177.584 -0.104 0.000 1.050 1404 A CA -0.701 51.338 52.037 0.003 0.000 0.724 1404 A CB 1.764 20.802 19.000 0.063 0.000 1.248 1404 A HN 0.555 nan 8.150 nan 0.000 0.424 1405 E N 0.806 120.958 120.200 -0.080 0.000 2.331 1405 E HA 0.372 4.722 4.350 0.000 0.000 0.275 1405 E C -1.120 175.449 176.600 -0.051 0.000 0.895 1405 E CA -0.674 55.649 56.400 -0.128 0.000 0.753 1405 E CB 2.059 31.717 29.700 -0.070 0.000 1.216 1405 E HN 0.594 nan 8.360 nan 0.000 0.434 1406 V N 0.773 120.655 119.914 -0.055 0.000 2.686 1406 V HA 0.743 4.864 4.120 0.000 0.000 0.295 1406 V C -0.617 175.517 176.094 0.067 0.000 1.057 1406 V CA -0.174 62.177 62.300 0.085 0.000 1.012 1406 V CB 1.121 33.052 31.823 0.180 0.000 1.006 1406 V HN 0.767 nan 8.190 nan 0.000 0.477 1407 A N 6.055 128.931 122.820 0.093 0.000 2.355 1407 A HA 0.788 5.108 4.320 0.000 0.000 0.317 1407 A C -0.473 177.180 177.584 0.115 0.000 1.094 1407 A CA -0.584 51.504 52.037 0.084 0.000 0.764 1407 A CB 1.432 20.478 19.000 0.076 0.000 1.230 1407 A HN 0.959 nan 8.150 nan 0.000 0.448 1408 L N 2.156 123.445 121.223 0.110 0.000 3.288 1408 L HA 0.181 4.522 4.340 0.000 0.000 0.293 1408 L C 0.554 177.513 176.870 0.148 0.000 1.294 1408 L CA -0.007 54.919 54.840 0.143 0.000 1.006 1408 L CB 0.478 42.601 42.059 0.107 0.000 1.407 1408 L HN 0.699 nan 8.230 nan 0.000 0.592 1413 A N 0.758 123.635 122.820 0.096 0.000 2.460 1413 A HA 0.475 4.796 4.320 0.000 0.000 0.258 1413 A C 0.831 178.452 177.584 0.061 0.000 1.300 1413 A CA 0.446 52.455 52.037 -0.047 0.000 0.913 1413 A CB -0.189 18.857 19.000 0.077 0.000 1.031 1413 A HN 0.170 nan 8.150 nan 0.000 0.512 1414 K N -1.378 119.054 120.400 0.054 0.000 2.618 1414 K HA 0.319 4.639 4.320 0.000 0.000 0.205 1414 K C 0.834 177.376 176.600 -0.097 0.000 1.445 1414 K CA 0.261 56.502 56.287 -0.077 0.000 1.034 1414 K CB 0.965 33.446 32.500 -0.031 0.000 1.209 1414 K HN 0.632 nan 8.250 nan 0.000 0.627 1415 G N 0.813 109.619 108.800 0.011 0.000 2.601 1415 G HA2 -0.381 3.580 3.960 0.000 0.000 0.261 1415 G HA3 -0.381 3.580 3.960 0.000 0.000 0.261 1415 G C 0.893 175.793 174.900 -0.001 0.000 1.289 1415 G CA -0.058 45.053 45.100 0.018 0.000 0.920 1415 G HN 0.277 nan 8.290 nan 0.000 0.571 1416 G N -0.548 108.243 108.800 -0.015 0.000 2.503 1416 G HA2 -0.227 3.734 3.960 0.000 0.000 0.221 1416 G HA3 -0.227 3.734 3.960 0.000 0.000 0.221 1416 G C 1.477 176.362 174.900 -0.025 0.000 1.131 1416 G CA 1.883 46.971 45.100 -0.019 0.000 0.756 1416 G HN 1.131 nan 8.290 nan 0.000 0.572 1417 E N 0.210 120.386 120.200 -0.040 0.000 2.130 1417 E HA -0.093 4.257 4.350 0.000 0.000 0.196 1417 E C 2.508 179.096 176.600 -0.019 0.000 0.998 1417 E CA 1.063 57.440 56.400 -0.039 0.000 0.806 1417 E CB -0.544 29.121 29.700 -0.058 0.000 0.738 1417 E HN 0.362 nan 8.360 nan 0.000 0.459 1418 G N -0.623 108.174 108.800 -0.004 0.000 2.848 1418 G HA2 -0.049 3.911 3.960 0.000 0.000 0.208 1418 G HA3 -0.049 3.911 3.960 0.000 0.000 0.208 1418 G C 1.008 175.924 174.900 0.027 0.000 1.152 1418 G CA 0.422 45.535 45.100 0.023 0.000 0.789 1418 G HN 0.335 nan 8.290 nan 0.000 0.531 1419 G N -0.106 108.700 108.800 0.011 0.000 3.651 1419 G HA2 0.264 4.225 3.960 0.000 0.000 0.279 1419 G HA3 0.264 4.225 3.960 0.000 0.000 0.279 1419 G C 1.208 176.099 174.900 -0.014 0.000 1.024 1419 G CA -0.204 44.900 45.100 0.006 0.000 0.813 1419 G HN 0.174 nan 8.290 nan 0.000 0.518 1420 L N 0.593 121.805 121.223 -0.019 0.000 2.093 1420 L HA -0.017 4.323 4.340 0.000 0.000 0.208 1420 L C 2.496 179.347 176.870 -0.032 0.000 1.085 1420 L CA 1.724 56.546 54.840 -0.031 0.000 0.755 1420 L CB -0.736 41.305 42.059 -0.030 0.000 0.904 1420 L HN 0.457 nan 8.230 nan 0.000 0.435 1421 E N 0.236 120.420 120.200 -0.026 0.000 2.031 1421 E HA -0.276 4.074 4.350 0.000 0.000 0.193 1421 E C 2.271 178.851 176.600 -0.034 0.000 0.994 1421 E CA 1.322 57.703 56.400 -0.033 0.000 0.800 1421 E CB -0.045 29.634 29.700 -0.036 0.000 0.752 1421 E HN 0.239 nan 8.360 nan 0.000 0.447 1422 L N 0.890 122.098 121.223 -0.025 0.000 2.046 1422 L HA -0.108 4.232 4.340 0.000 0.000 0.208 1422 L C 2.219 179.072 176.870 -0.028 0.000 1.077 1422 L CA 2.265 57.093 54.840 -0.021 0.000 0.747 1422 L CB -0.784 41.271 42.059 -0.007 0.000 0.896 1422 L HN 0.191 nan 8.230 nan 0.000 0.432 1423 A N -0.197 122.600 122.820 -0.038 0.000 1.858 1423 A HA -0.219 4.101 4.320 0.000 0.000 0.216 1423 A C 2.427 179.974 177.584 -0.062 0.000 1.190 1423 A CA 1.866 53.867 52.037 -0.059 0.000 0.617 1423 A CB -0.590 18.365 19.000 -0.074 0.000 0.827 1423 A HN 0.518 nan 8.150 nan 0.000 0.443 1424 R N -0.993 119.476 120.500 -0.052 0.000 2.152 1424 R HA -0.112 4.228 4.340 0.000 0.000 0.232 1424 R C 2.155 178.437 176.300 -0.029 0.000 1.117 1424 R CA 1.505 57.579 56.100 -0.044 0.000 0.981 1424 R CB -0.154 30.123 30.300 -0.037 0.000 0.870 1424 R HN 0.391 nan 8.270 nan 0.000 0.451 1425 K N 0.478 120.862 120.400 -0.026 0.000 2.116 1425 K HA -0.026 4.294 4.320 0.000 0.000 0.203 1425 K C 1.791 178.390 176.600 -0.002 0.000 1.052 1425 K CA 0.781 57.060 56.287 -0.014 0.000 0.952 1425 K CB -0.024 32.465 32.500 -0.018 0.000 0.729 1425 K HN -0.089 nan 8.250 nan 0.000 0.446 1426 V N 1.073 120.983 119.914 -0.007 0.000 2.261 1426 V HA -0.234 3.886 4.120 0.000 0.000 0.246 1426 V C 2.208 178.311 176.094 0.016 0.000 1.047 1426 V CA 1.733 64.037 62.300 0.007 0.000 1.015 1426 V CB -0.424 31.395 31.823 -0.005 0.000 0.642 1426 V HN 0.256 nan 8.190 nan 0.000 0.446 1427 L N -0.330 120.886 121.223 -0.011 0.000 2.042 1427 L HA -0.284 4.056 4.340 0.000 0.000 0.210 1427 L C 2.653 179.540 176.870 0.029 0.000 1.076 1427 L CA 2.069 56.911 54.840 0.002 0.000 0.749 1427 L CB -0.659 41.368 42.059 -0.054 0.000 0.893 1427 L HN 0.419 nan 8.230 nan 0.000 0.432 1428 Q N -0.103 119.705 119.800 0.014 0.000 2.096 1428 Q HA -0.234 4.107 4.340 0.000 0.000 0.204 1428 Q C 2.177 178.196 176.000 0.031 0.000 0.982 1428 Q CA 2.437 58.251 55.803 0.019 0.000 0.850 1428 Q CB -0.021 28.721 28.738 0.008 0.000 0.901 1428 Q HN 0.620 nan 8.270 nan 0.000 0.422 1429 T N -1.762 112.813 114.554 0.035 0.000 3.043 1429 T HA -0.036 4.314 4.350 0.000 0.000 0.263 1429 T C 1.644 176.377 174.700 0.055 0.000 1.094 1429 T CA 0.291 62.418 62.100 0.044 0.000 1.127 1429 T CB -0.015 68.881 68.868 0.046 0.000 0.905 1429 T HN 0.155 nan 8.240 nan 0.000 0.490 1430 L N 1.176 122.439 121.223 0.066 0.000 2.376 1430 L HA 0.298 4.638 4.340 0.000 0.000 0.219 1430 L C 2.405 179.320 176.870 0.074 0.000 1.133 1430 L CA 1.337 56.227 54.840 0.084 0.000 0.816 1430 L CB -0.710 41.429 42.059 0.132 0.000 0.933 1430 L HN 0.441 nan 8.230 nan 0.000 0.449 1431 E N -1.723 118.515 120.200 0.064 0.000 2.251 1431 E HA -0.041 4.309 4.350 0.000 0.000 0.194 1431 E C 1.879 178.504 176.600 0.043 0.000 0.964 1431 E CA 0.778 57.210 56.400 0.054 0.000 0.868 1431 E CB 0.350 30.081 29.700 0.051 0.000 0.828 1431 E HN 0.472 nan 8.360 nan 0.000 0.481 1432 S N -0.631 115.094 115.700 0.041 0.000 2.505 1432 S HA 0.233 4.703 4.470 0.000 0.000 0.216 1432 S C 0.998 175.621 174.600 0.039 0.000 1.018 1432 S CA -0.483 57.738 58.200 0.036 0.000 0.911 1432 S CB 0.317 63.536 63.200 0.031 0.000 0.818 1432 S HN 0.006 nan 8.310 nan 0.000 0.497 1433 R N 2.707 123.233 120.500 0.044 0.000 2.868 1433 R HA 0.354 4.694 4.340 0.000 0.000 0.289 1433 R C -2.882 173.450 176.300 0.052 0.000 1.443 1433 R CA -1.734 54.394 56.100 0.048 0.000 1.651 1433 R CB 0.841 31.171 30.300 0.050 0.000 1.242 1433 R HN 0.381 nan 8.270 nan 0.000 0.621 1434 P HA -0.051 nan 4.420 nan 0.000 0.267 1434 P C -0.011 177.324 177.300 0.059 0.000 1.200 1434 P CA 0.181 63.313 63.100 0.052 0.000 0.772 1434 P CB 1.079 32.807 31.700 0.046 0.000 0.855 1435 S N 1.184 116.924 115.700 0.067 0.000 2.652 1435 S HA 0.271 4.741 4.470 0.000 0.000 0.270 1435 S C 0.199 174.849 174.600 0.085 0.000 1.243 1435 S CA -0.610 57.636 58.200 0.077 0.000 0.999 1435 S CB 0.430 63.685 63.200 0.091 0.000 0.973 1435 S HN 0.526 nan 8.310 nan 0.000 0.544 1436 N N 0.517 119.264 118.700 0.078 0.000 2.791 1436 N HA 0.260 5.000 4.740 0.000 0.000 0.265 1436 N C -1.354 174.164 175.510 0.013 0.000 1.580 1436 N CA -0.710 52.392 53.050 0.087 0.000 0.809 1436 N CB -0.128 38.419 38.487 0.100 0.000 1.178 1436 N HN 0.639 nan 8.380 nan 0.000 0.499 1437 F N 2.877 122.767 119.950 -0.099 0.000 2.518 1437 F HA 0.281 4.808 4.527 0.000 0.000 0.359 1437 F C -0.140 175.585 175.800 -0.125 0.000 1.118 1437 F CA 0.366 58.245 58.000 -0.201 0.000 1.287 1437 F CB 0.394 39.349 39.000 -0.075 0.000 1.132 1437 F HN 0.534 nan 8.300 nan 0.000 0.587 1438 H N 3.413 121.857 119.070 -1.042 0.000 3.129 1438 H HA 0.447 5.003 4.556 0.000 0.000 0.342 1438 H C -0.924 173.906 175.328 -0.829 0.000 1.092 1438 H CA -1.200 54.370 56.048 -0.797 0.000 1.310 1438 H CB -0.354 29.195 29.762 -0.356 0.000 1.932 1438 H HN 0.563 nan 8.280 nan 0.000 0.507 1439 V N 0.912 120.539 119.914 -0.480 0.000 3.484 1439 V HA -0.041 4.079 4.120 0.000 0.000 0.304 1439 V C 1.176 177.205 176.094 -0.108 0.000 1.116 1439 V CA -0.171 62.013 62.300 -0.195 0.000 1.187 1439 V CB 0.366 32.074 31.823 -0.192 0.000 1.062 1439 V HN 0.818 nan 8.190 nan 0.000 0.489 1440 L N 1.639 122.837 121.223 -0.043 0.000 2.162 1440 L HA 0.277 4.617 4.340 0.000 0.000 0.205 1440 L C 0.526 177.393 176.870 -0.005 0.000 1.086 1440 L CA 1.111 55.884 54.840 -0.112 0.000 0.778 1440 L CB -0.315 41.764 42.059 0.034 0.000 0.928 1440 L HN 0.933 nan 8.230 nan 0.000 0.446 1441 Y N -2.321 117.989 120.300 0.016 0.000 2.492 1441 Y HA 0.475 5.026 4.550 0.000 0.000 0.346 1441 Y C -0.316 175.595 175.900 0.018 0.000 0.997 1441 Y CA -2.093 56.009 58.100 0.005 0.000 1.025 1441 Y CB -0.044 38.429 38.460 0.022 0.000 1.263 1441 Y HN -0.130 nan 8.280 nan 0.000 0.454 1442 N N 2.144 120.935 118.700 0.151 0.000 2.508 1442 N HA 0.029 4.769 4.740 0.000 0.000 0.264 1442 N C 0.339 175.980 175.510 0.217 0.000 1.216 1442 N CA -0.042 53.067 53.050 0.099 0.000 0.943 1442 N CB 1.209 39.731 38.487 0.059 0.000 1.113 1442 N HN 0.899 nan 8.380 nan 0.000 0.447 1443 L N 2.576 123.893 121.223 0.157 0.000 2.291 1443 L HA -0.013 4.327 4.340 0.000 0.000 0.214 1443 L C 1.243 178.192 176.870 0.132 0.000 1.120 1443 L CA 1.221 56.175 54.840 0.191 0.000 0.799 1443 L CB -0.654 41.486 42.059 0.135 0.000 0.925 1443 L HN 0.559 nan 8.230 nan 0.000 0.446 1444 D N -1.129 119.325 120.400 0.091 0.000 2.363 1444 D HA 0.025 4.666 4.640 0.000 0.000 0.226 1444 D C 0.935 177.268 176.300 0.054 0.000 1.020 1444 D CA 0.287 54.322 54.000 0.059 0.000 0.892 1444 D CB 0.083 40.905 40.800 0.037 0.000 0.900 1444 D HN 0.169 nan 8.370 nan 0.000 0.531 1445 L N -0.080 121.186 121.223 0.072 0.000 2.472 1445 L HA 0.113 4.453 4.340 0.000 0.000 0.260 1445 L C 1.042 177.930 176.870 0.031 0.000 1.209 1445 L CA -0.302 54.566 54.840 0.046 0.000 0.817 1445 L CB 0.713 42.802 42.059 0.050 0.000 1.106 1445 L HN -0.124 nan 8.230 nan 0.000 0.479 1446 S N 0.110 115.816 115.700 0.010 0.000 2.593 1446 S HA 0.168 4.638 4.470 0.000 0.000 0.269 1446 S C 1.333 175.929 174.600 -0.006 0.000 1.334 1446 S CA -0.465 57.737 58.200 0.004 0.000 1.015 1446 S CB 0.427 63.620 63.200 -0.011 0.000 0.912 1446 S HN 0.460 nan 8.310 nan 0.000 0.541 1447 I N 2.946 123.520 120.570 0.008 0.000 2.264 1447 I HA -0.208 3.962 4.170 0.000 0.000 0.248 1447 I C 2.244 178.364 176.117 0.004 0.000 1.111 1447 I CA 1.413 62.722 61.300 0.015 0.000 1.382 1447 I CB -0.239 37.797 38.000 0.059 0.000 1.060 1447 I HN 0.684 nan 8.210 nan 0.000 0.418 1448 K N 0.086 120.477 120.400 -0.016 0.000 2.228 1448 K HA -0.106 4.214 4.320 0.000 0.000 0.202 1448 K C 1.435 178.045 176.600 0.016 0.000 1.051 1448 K CA 0.882 57.177 56.287 0.013 0.000 0.960 1448 K CB -0.031 32.409 32.500 -0.100 0.000 0.743 1448 K HN 0.224 nan 8.250 nan 0.000 0.458 1449 D N 1.054 121.442 120.400 -0.020 0.000 2.224 1449 D HA -0.066 4.575 4.640 0.000 0.000 0.205 1449 D C 1.528 177.783 176.300 -0.074 0.000 0.965 1449 D CA 1.074 55.057 54.000 -0.029 0.000 0.852 1449 D CB 0.219 41.007 40.800 -0.020 0.000 0.947 1449 D HN 0.134 nan 8.370 nan 0.000 0.494 1450 K N 0.162 120.477 120.400 -0.141 0.000 2.031 1450 K HA 0.045 4.365 4.320 0.000 0.000 0.205 1450 K C 2.234 178.673 176.600 -0.269 0.000 1.049 1450 K CA 0.509 56.578 56.287 -0.364 0.000 0.939 1450 K CB 0.083 32.242 32.500 -0.568 0.000 0.717 1450 K HN 0.101 nan 8.250 nan 0.000 0.438 1451 I N 1.401 121.902 120.570 -0.116 0.000 2.208 1451 I HA -0.315 3.856 4.170 0.000 0.000 0.245 1451 I C 2.515 178.612 176.117 -0.034 0.000 1.097 1451 I CA 1.323 62.610 61.300 -0.023 0.000 1.363 1451 I CB -0.374 37.704 38.000 0.130 0.000 1.051 1451 I HN 0.178 nan 8.210 nan 0.000 0.413 1452 A N 0.373 123.184 122.820 -0.014 0.000 1.929 1452 A HA -0.172 4.149 4.320 0.000 0.000 0.216 1452 A C 2.338 179.879 177.584 -0.071 0.000 1.176 1452 A CA 1.299 53.322 52.037 -0.024 0.000 0.628 1452 A CB -0.366 18.636 19.000 0.003 0.000 0.816 1452 A HN 0.271 nan 8.150 nan 0.000 0.444 1453 K N -0.377 119.977 120.400 -0.076 0.000 2.032 1453 K HA -0.103 4.217 4.320 0.000 0.000 0.209 1453 K C 1.836 178.383 176.600 -0.088 0.000 1.048 1453 K CA 1.660 57.909 56.287 -0.063 0.000 0.927 1453 K CB -0.373 32.117 32.500 -0.016 0.000 0.712 1453 K HN 0.546 nan 8.250 nan 0.000 0.441 1454 I N 0.685 121.181 120.570 -0.123 0.000 2.163 1454 I HA -0.264 3.906 4.170 0.000 0.000 0.240 1454 I C 2.527 178.351 176.117 -0.488 0.000 1.081 1454 I CA 1.156 62.334 61.300 -0.203 0.000 1.353 1454 I CB -0.431 37.467 38.000 -0.170 0.000 1.054 1454 I HN 0.143 nan 8.210 nan 0.000 0.407 1455 A N 0.218 122.785 122.820 -0.422 0.000 1.908 1455 A HA -0.206 4.114 4.320 0.000 0.000 0.218 1455 A C 2.377 179.849 177.584 -0.186 0.000 1.181 1455 A CA 2.546 54.367 52.037 -0.361 0.000 0.627 1455 A CB -1.038 17.942 19.000 -0.035 0.000 0.818 1455 A HN 0.398 nan 8.150 nan 0.000 0.445 1456 T N -0.429 114.033 114.554 -0.153 0.000 2.668 1456 T HA -0.084 4.267 4.350 0.000 0.000 0.258 1456 T C 1.846 176.476 174.700 -0.117 0.000 1.051 1456 T CA 1.473 63.498 62.100 -0.124 0.000 1.155 1456 T CB -0.240 68.569 68.868 -0.099 0.000 0.864 1456 T HN 0.606 nan 8.240 nan 0.000 0.413 1457 E N 0.150 120.284 120.200 -0.110 0.000 2.150 1457 E HA -0.046 4.305 4.350 0.000 0.000 0.193 1457 E C 2.004 178.566 176.600 -0.063 0.000 0.985 1457 E CA 0.712 57.058 56.400 -0.089 0.000 0.814 1457 E CB 0.042 29.690 29.700 -0.087 0.000 0.752 1457 E HN 0.360 nan 8.360 nan 0.000 0.466 1458 I N -0.347 120.184 120.570 -0.064 0.000 2.685 1458 I HA -0.114 4.056 4.170 0.000 0.000 0.251 1458 I C 1.968 178.189 176.117 0.173 0.000 1.102 1458 I CA 0.959 62.305 61.300 0.076 0.000 1.442 1458 I CB -1.082 37.008 38.000 0.150 0.000 1.194 1458 I HN 0.077 nan 8.210 nan 0.000 0.448 1459 Y N 1.635 121.993 120.300 0.096 0.000 2.395 1459 Y HA 0.268 4.818 4.550 0.000 0.000 0.293 1459 Y C 2.084 177.977 175.900 -0.011 0.000 1.123 1459 Y CA 0.174 58.365 58.100 0.151 0.000 1.227 1459 Y CB -1.132 37.535 38.460 0.346 0.000 1.012 1459 Y HN 0.396 nan 8.280 nan 0.000 0.552 1460 G N -0.325 108.498 108.800 0.039 0.000 2.136 1460 G HA2 -0.137 3.823 3.960 0.000 0.000 0.242 1460 G HA3 -0.137 3.823 3.960 0.000 0.000 0.242 1460 G C 0.444 175.171 174.900 -0.288 0.000 0.989 1460 G CA 0.023 45.067 45.100 -0.093 0.000 0.682 1460 G HN 0.657 nan 8.290 nan 0.000 0.522 1461 A N -0.409 122.172 122.820 -0.397 0.000 2.346 1461 A HA 0.601 4.922 4.320 0.000 0.000 0.252 1461 A C 1.250 178.479 177.584 -0.592 0.000 1.089 1461 A CA 0.699 52.090 52.037 -1.075 0.000 0.797 1461 A CB 0.420 19.157 19.000 -0.439 0.000 1.047 1461 A HN 0.149 nan 8.150 nan 0.000 0.494 1462 D N 0.080 120.137 120.400 -0.572 0.000 2.120 1462 D HA 0.232 4.872 4.640 0.000 0.000 0.202 1462 D C 0.997 177.192 176.300 -0.176 0.000 0.972 1462 D CA 1.964 55.794 54.000 -0.283 0.000 0.837 1462 D CB 0.148 40.825 40.800 -0.205 0.000 0.989 1462 D HN 0.745 nan 8.370 nan 0.000 0.469 1463 G N -0.966 107.745 108.800 -0.148 0.000 2.619 1463 G HA2 0.475 4.435 3.960 0.000 0.000 0.305 1463 G HA3 0.475 4.435 3.960 0.000 0.000 0.305 1463 G C -1.728 173.155 174.900 -0.028 0.000 1.330 1463 G CA -0.456 44.605 45.100 -0.064 0.000 0.789 1463 G HN -0.030 nan 8.290 nan 0.000 0.487 1464 V N 0.141 120.058 119.914 0.005 0.000 2.735 1464 V HA 0.557 4.677 4.120 0.000 0.000 0.310 1464 V C -0.368 175.707 176.094 -0.031 0.000 1.061 1464 V CA -0.938 61.335 62.300 -0.044 0.000 0.913 1464 V CB 1.771 33.555 31.823 -0.065 0.000 1.005 1464 V HN 0.746 nan 8.190 nan 0.000 0.428 1465 N N 1.371 119.974 118.700 -0.161 0.000 2.328 1465 N HA 0.761 5.501 4.740 0.000 0.000 0.299 1465 N C -1.956 173.397 175.510 -0.262 0.000 1.179 1465 N CA -0.656 52.365 53.050 -0.048 0.000 0.793 1465 N CB 2.256 40.736 38.487 -0.010 0.000 1.366 1465 N HN 0.596 nan 8.380 nan 0.000 0.493 1466 Y N -0.403 119.914 120.300 0.029 0.000 2.524 1466 Y HA 0.325 4.875 4.550 0.001 0.000 0.347 1466 Y C 0.519 176.431 175.900 0.021 0.000 1.005 1466 Y CA -0.967 57.150 58.100 0.028 0.000 1.025 1466 Y CB 1.636 40.111 38.460 0.024 0.000 1.275 1466 Y HN 0.454 nan 8.280 nan 0.000 0.460 1467 T N -1.847 112.801 114.554 0.158 0.000 2.824 1467 T HA 0.537 4.887 4.350 0.000 0.000 0.277 1467 T C 1.284 176.039 174.700 0.090 0.000 0.975 1467 T CA -0.110 62.046 62.100 0.094 0.000 0.966 1467 T CB 1.341 70.246 68.868 0.063 0.000 1.054 1467 T HN 0.789 nan 8.240 nan 0.000 0.533 1468 A N 0.226 123.077 122.820 0.051 0.000 1.908 1468 A HA -0.091 4.229 4.320 0.000 0.000 0.218 1468 A C 2.286 179.881 177.584 0.018 0.000 1.181 1468 A CA 1.745 53.799 52.037 0.029 0.000 0.627 1468 A CB -1.130 17.879 19.000 0.014 0.000 0.818 1468 A HN 0.980 nan 8.150 nan 0.000 0.445 1469 E N -0.407 119.805 120.200 0.021 0.000 2.058 1469 E HA -0.196 4.154 4.350 0.000 0.000 0.194 1469 E C 2.358 178.967 176.600 0.014 0.000 0.997 1469 E CA 1.117 57.521 56.400 0.007 0.000 0.801 1469 E CB -0.308 29.402 29.700 0.016 0.000 0.746 1469 E HN 0.629 nan 8.360 nan 0.000 0.450 1470 A N 1.578 124.440 122.820 0.069 0.000 1.902 1470 A HA -0.228 4.092 4.320 0.000 0.000 0.217 1470 A C 1.778 179.404 177.584 0.069 0.000 1.181 1470 A CA 1.772 53.884 52.037 0.124 0.000 0.623 1470 A CB -0.377 18.777 19.000 0.258 0.000 0.818 1470 A HN 0.117 nan 8.150 nan 0.000 0.443 1471 D N -0.208 120.214 120.400 0.038 0.000 2.097 1471 D HA -0.117 4.523 4.640 0.000 0.000 0.195 1471 D C 1.958 178.212 176.300 -0.076 0.000 0.989 1471 D CA 1.353 55.323 54.000 -0.050 0.000 0.827 1471 D CB -0.257 40.519 40.800 -0.039 0.000 0.966 1471 D HN 0.483 nan 8.370 nan 0.000 0.456 1472 K N 0.574 120.931 120.400 -0.073 0.000 2.063 1472 K HA -0.081 4.239 4.320 0.000 0.000 0.208 1472 K C 2.120 178.604 176.600 -0.192 0.000 1.048 1472 K CA 1.163 57.383 56.287 -0.111 0.000 0.928 1472 K CB -0.073 32.366 32.500 -0.102 0.000 0.713 1472 K HN 0.024 nan 8.250 nan 0.000 0.442 1473 A N 1.531 124.216 122.820 -0.224 0.000 1.898 1473 A HA -0.130 4.190 4.320 0.000 0.000 0.216 1473 A C 2.104 179.411 177.584 -0.461 0.000 1.181 1473 A CA 1.217 52.971 52.037 -0.473 0.000 0.620 1473 A CB -0.563 18.246 19.000 -0.318 0.000 0.819 1473 A HN 0.174 nan 8.150 nan 0.000 0.442 1474 I N -0.685 119.803 120.570 -0.137 0.000 2.286 1474 I HA -0.290 3.881 4.170 0.000 0.000 0.248 1474 I C 2.778 178.889 176.117 -0.011 0.000 1.115 1474 I CA 1.823 63.124 61.300 0.001 0.000 1.392 1474 I CB -0.330 37.654 38.000 -0.027 0.000 1.065 1474 I HN 0.547 nan 8.210 nan 0.000 0.418 1475 Q N 1.056 120.811 119.800 -0.074 0.000 2.096 1475 Q HA -0.137 4.203 4.340 0.000 0.000 0.197 1475 Q C 2.396 178.376 176.000 -0.032 0.000 0.964 1475 Q CA 1.036 56.813 55.803 -0.044 0.000 0.838 1475 Q CB 0.131 28.833 28.738 -0.060 0.000 0.906 1475 Q HN 0.377 nan 8.270 nan 0.000 0.444 1476 R N -0.634 119.793 120.500 -0.121 0.000 2.073 1476 R HA -0.163 4.177 4.340 0.000 0.000 0.234 1476 R C 2.176 178.521 176.300 0.075 0.000 1.134 1476 R CA 1.668 57.710 56.100 -0.096 0.000 0.952 1476 R CB -0.364 29.779 30.300 -0.262 0.000 0.850 1476 R HN 0.330 nan 8.270 nan 0.000 0.433 1477 Y N 1.304 121.657 120.300 0.088 0.000 2.145 1477 Y HA -0.168 4.382 4.550 -0.000 0.000 0.286 1477 Y C 2.246 178.262 175.900 0.193 0.000 1.145 1477 Y CA 0.841 59.037 58.100 0.160 0.000 1.148 1477 Y CB -0.724 37.801 38.460 0.109 0.000 0.981 1477 Y HN 0.140 nan 8.280 nan 0.000 0.507 1478 E N -0.230 120.131 120.200 0.269 0.000 2.058 1478 E HA -0.198 4.152 4.350 0.000 0.000 0.194 1478 E C 2.292 178.968 176.600 0.127 0.000 0.997 1478 E CA 1.865 58.366 56.400 0.168 0.000 0.801 1478 E CB -0.315 29.442 29.700 0.095 0.000 0.746 1478 E HN 0.476 nan 8.360 nan 0.000 0.450 1479 S N 0.478 116.242 115.700 0.106 0.000 2.481 1479 S HA -0.070 4.400 4.470 0.000 0.000 0.231 1479 S C 1.731 176.392 174.600 0.102 0.000 0.996 1479 S CA 0.380 58.627 58.200 0.077 0.000 0.942 1479 S CB 0.055 63.286 63.200 0.052 0.000 0.768 1479 S HN 0.072 nan 8.310 nan 0.000 0.520 1480 L N 1.603 122.936 121.223 0.184 0.000 2.591 1480 L HA 0.427 4.767 4.340 0.000 0.000 0.228 1480 L C 1.552 178.490 176.870 0.113 0.000 1.133 1480 L CA 0.789 55.770 54.840 0.234 0.000 0.880 1480 L CB -0.564 41.753 42.059 0.430 0.000 1.033 1480 L HN 0.591 nan 8.230 nan 0.000 0.450 1481 G N -1.411 107.416 108.800 0.045 0.000 2.132 1481 G HA2 -0.349 3.612 3.960 0.000 0.000 0.228 1481 G HA3 -0.349 3.612 3.960 0.000 0.000 0.228 1481 G C 0.207 174.937 174.900 -0.283 0.000 1.000 1481 G CA 0.302 45.317 45.100 -0.142 0.000 0.693 1481 G HN 0.378 nan 8.290 nan 0.000 0.515 1482 Y N -0.144 120.197 120.300 0.068 0.000 2.720 1482 Y HA 0.454 5.004 4.550 0.000 0.000 0.268 1482 Y C 2.090 178.023 175.900 0.055 0.000 1.142 1482 Y CA 0.143 58.267 58.100 0.040 0.000 1.193 1482 Y CB 0.756 39.212 38.460 -0.006 0.000 1.176 1482 Y HN 0.207 nan 8.280 nan 0.000 0.542 1483 G N -0.182 108.714 108.800 0.160 0.000 2.777 1483 G HA2 -0.120 3.840 3.960 0.000 0.000 0.211 1483 G HA3 -0.120 3.840 3.960 0.000 0.000 0.211 1483 G C 1.137 176.095 174.900 0.097 0.000 1.149 1483 G CA 0.184 45.361 45.100 0.128 0.000 0.785 1483 G HN 0.240 nan 8.290 nan 0.000 0.536 1484 N N 0.462 119.212 118.700 0.084 0.000 2.268 1484 N HA 0.183 4.923 4.740 0.000 0.000 0.204 1484 N C 0.494 176.072 175.510 0.114 0.000 1.124 1484 N CA -0.035 53.064 53.050 0.082 0.000 0.838 1484 N CB 0.840 39.355 38.487 0.046 0.000 0.994 1484 N HN 0.267 nan 8.380 nan 0.000 0.489 1485 L N 1.095 122.398 121.223 0.134 0.000 2.468 1485 L HA 0.366 4.706 4.340 0.000 0.000 0.254 1485 L C -1.989 175.007 176.870 0.209 0.000 1.171 1485 L CA -1.588 53.351 54.840 0.164 0.000 0.809 1485 L CB 0.041 42.197 42.059 0.163 0.000 1.155 1485 L HN -0.258 nan 8.230 nan 0.000 0.473 1486 P HA 0.146 nan 4.420 nan 0.000 0.274 1486 P C -1.148 176.292 177.300 0.234 0.000 1.256 1486 P CA -0.281 63.028 63.100 0.348 0.000 0.795 1486 P CB 0.787 32.660 31.700 0.289 0.000 1.038 1487 V N 1.085 121.134 119.914 0.225 0.000 2.540 1487 V HA 0.306 4.426 4.120 0.000 0.000 0.302 1487 V C -0.219 175.974 176.094 0.165 0.000 1.035 1487 V CA -0.594 61.774 62.300 0.114 0.000 0.873 1487 V CB 2.047 33.854 31.823 -0.027 0.000 0.992 1487 V HN 0.160 nan 8.190 nan 0.000 0.428 1488 V N 5.601 125.607 119.914 0.153 0.000 2.304 1488 V HA 0.364 4.484 4.120 0.000 0.000 0.278 1488 V C 0.165 176.367 176.094 0.179 0.000 1.018 1488 V CA -0.519 61.886 62.300 0.175 0.000 0.814 1488 V CB 1.357 33.277 31.823 0.161 0.000 1.021 1488 V HN 0.758 nan 8.190 nan 0.000 0.440 1489 M N 3.940 123.668 119.600 0.212 0.000 2.227 1489 M HA 0.311 4.791 4.480 0.000 0.000 0.349 1489 M C 0.468 176.889 176.300 0.202 0.000 1.443 1489 M CA 0.201 55.636 55.300 0.225 0.000 1.110 1489 M CB 0.828 33.627 32.600 0.332 0.000 1.773 1489 M HN 0.654 nan 8.290 nan 0.000 0.463 1490 A N 6.343 129.261 122.820 0.164 0.000 2.690 1490 A HA 0.476 4.796 4.320 0.000 0.000 0.342 1490 A C 0.184 177.825 177.584 0.095 0.000 1.410 1490 A CA -0.645 51.479 52.037 0.145 0.000 0.958 1490 A CB 0.036 19.122 19.000 0.143 0.000 1.153 1490 A HN 0.839 nan 8.150 nan 0.000 0.497 1491 K N -0.087 120.344 120.400 0.052 0.000 2.349 1491 K HA 0.699 5.019 4.320 0.000 0.000 0.243 1491 K C -0.150 176.371 176.600 -0.131 0.000 1.058 1491 K CA -0.684 55.585 56.287 -0.031 0.000 0.871 1491 K CB 0.877 33.339 32.500 -0.064 0.000 1.337 1491 K HN 0.114 nan 8.250 nan 0.000 0.469 1492 T N 0.743 115.199 114.554 -0.164 0.000 2.930 1492 T HA -0.042 4.308 4.350 0.000 0.000 0.306 1492 T C 0.994 175.441 174.700 -0.422 0.000 1.045 1492 T CA -0.233 61.723 62.100 -0.240 0.000 1.134 1492 T CB 0.598 69.393 68.868 -0.121 0.000 0.961 1492 T HN 0.693 nan 8.240 nan 0.000 0.545 1493 Q N 3.954 123.299 119.800 -0.758 0.000 2.424 1493 Q HA -0.041 4.299 4.340 0.000 0.000 0.204 1493 Q C 0.660 176.204 176.000 -0.759 0.000 0.933 1493 Q CA 1.135 56.358 55.803 -0.968 0.000 0.929 1493 Q CB -0.256 27.372 28.738 -1.849 0.000 1.037 1493 Q HN 0.949 nan 8.270 nan 0.000 0.511 1494 Y N 1.201 121.288 120.300 -0.354 0.000 2.502 1494 Y HA 0.259 4.809 4.550 0.000 0.000 0.295 1494 Y C 0.804 176.585 175.900 -0.199 0.000 1.193 1494 Y CA 0.203 58.157 58.100 -0.244 0.000 1.295 1494 Y CB 0.552 38.886 38.460 -0.209 0.000 1.059 1494 Y HN 0.092 nan 8.280 nan 0.000 0.514 1495 S N -2.038 113.559 115.700 -0.172 0.000 2.567 1495 S HA 0.251 4.722 4.470 0.000 0.000 0.270 1495 S C -0.194 174.234 174.600 -0.286 0.000 1.152 1495 S CA -0.744 57.343 58.200 -0.188 0.000 0.835 1495 S CB -0.064 63.051 63.200 -0.141 0.000 1.115 1495 S HN 0.032 nan 8.310 nan 0.000 0.459 1496 F N 2.437 122.254 119.950 -0.222 0.000 2.365 1496 F HA 0.118 4.645 4.527 0.000 0.000 0.300 1496 F C 1.879 177.466 175.800 -0.354 0.000 1.090 1496 F CA 1.197 59.058 58.000 -0.232 0.000 1.408 1496 F CB -0.113 38.846 39.000 -0.068 0.000 1.060 1496 F HN 0.640 nan 8.300 nan 0.000 0.534 1497 S N -0.481 115.028 115.700 -0.318 0.000 2.690 1497 S HA 0.199 4.670 4.470 0.000 0.000 0.285 1497 S C 0.650 175.102 174.600 -0.246 0.000 1.135 1497 S CA -0.091 57.843 58.200 -0.443 0.000 1.020 1497 S CB 0.950 63.579 63.200 -0.952 0.000 1.159 1497 S HN 0.197 nan 8.310 nan 0.000 0.534 1498 D N -0.997 119.315 120.400 -0.147 0.000 2.340 1498 D HA 0.158 4.798 4.640 0.000 0.000 0.217 1498 D C -0.384 175.862 176.300 -0.091 0.000 1.081 1498 D CA -0.142 53.801 54.000 -0.094 0.000 0.842 1498 D CB -0.258 40.527 40.800 -0.025 0.000 0.934 1498 D HN 0.433 nan 8.370 nan 0.000 0.511 1499 D N 1.576 121.900 120.400 -0.127 0.000 2.473 1499 D HA 0.066 4.706 4.640 0.000 0.000 0.226 1499 D C 1.609 177.847 176.300 -0.103 0.000 1.089 1499 D CA -0.474 53.466 54.000 -0.100 0.000 0.883 1499 D CB 0.893 41.632 40.800 -0.102 0.000 1.029 1499 D HN 0.140 nan 8.370 nan 0.000 0.517 1500 M N 1.760 121.316 119.600 -0.073 0.000 2.706 1500 M HA -0.108 4.372 4.480 0.000 0.000 0.253 1500 M C 1.002 177.258 176.300 -0.075 0.000 1.063 1500 M CA 1.448 56.719 55.300 -0.049 0.000 1.067 1500 M CB -0.594 31.991 32.600 -0.025 0.000 1.423 1500 M HN 0.197 nan 8.290 nan 0.000 0.530 1501 T N -2.615 111.890 114.554 -0.081 0.000 3.037 1501 T HA 0.167 4.517 4.350 0.000 0.000 0.251 1501 T C 0.729 175.389 174.700 -0.065 0.000 1.079 1501 T CA -0.146 61.906 62.100 -0.080 0.000 1.067 1501 T CB -0.049 68.776 68.868 -0.070 0.000 0.948 1501 T HN 0.467 nan 8.240 nan 0.000 0.496 1502 K N 1.933 122.288 120.400 -0.075 0.000 2.150 1502 K HA 0.376 4.696 4.320 0.000 0.000 0.261 1502 K C -0.897 175.682 176.600 -0.035 0.000 1.127 1502 K CA -0.430 55.814 56.287 -0.071 0.000 0.989 1502 K CB 0.243 32.660 32.500 -0.139 0.000 1.475 1502 K HN 0.173 nan 8.250 nan 0.000 0.391 1503 L N 0.882 122.118 121.223 0.023 0.000 2.488 1503 L HA 0.411 4.751 4.340 0.000 0.000 0.249 1503 L C 1.390 178.379 176.870 0.198 0.000 1.151 1503 L CA 0.868 55.799 54.840 0.152 0.000 0.806 1503 L CB 0.534 42.656 42.059 0.105 0.000 1.261 1503 L HN 0.829 nan 8.230 nan 0.000 0.484 1504 G N 0.509 109.519 108.800 0.350 0.000 2.509 1504 G HA2 -0.308 3.652 3.960 0.000 0.000 0.259 1504 G HA3 -0.308 3.652 3.960 0.000 0.000 0.259 1504 G C 0.055 175.007 174.900 0.087 0.000 1.169 1504 G CA 0.326 45.492 45.100 0.111 0.000 0.953 1504 G HN 0.725 nan 8.290 nan 0.000 0.563 1505 R N 2.032 122.594 120.500 0.103 0.000 2.664 1505 R HA 0.441 4.781 4.340 0.000 0.000 0.281 1505 R C -2.143 174.223 176.300 0.109 0.000 1.383 1505 R CA -1.302 54.870 56.100 0.120 0.000 1.563 1505 R CB 0.779 31.105 30.300 0.042 0.000 1.131 1505 R HN 0.529 nan 8.270 nan 0.000 0.599 1506 P HA 0.025 nan 4.420 nan 0.000 0.265 1506 P C -0.890 176.598 177.300 0.313 0.000 1.193 1506 P CA 0.197 63.361 63.100 0.106 0.000 0.765 1506 P CB 1.031 32.651 31.700 -0.134 0.000 0.823 1507 R N 1.516 122.189 120.500 0.289 0.000 2.919 1507 R HA 0.317 4.657 4.340 0.000 0.000 0.260 1507 R C 0.096 176.545 176.300 0.250 0.000 1.067 1507 R CA -0.982 55.268 56.100 0.250 0.000 1.003 1507 R CB 0.775 31.137 30.300 0.104 0.000 1.192 1507 R HN 0.429 nan 8.270 nan 0.000 0.488 1508 N N 0.971 119.715 118.700 0.073 0.000 2.669 1508 N HA -0.217 4.523 4.740 0.000 0.000 0.266 1508 N C -1.121 174.462 175.510 0.121 0.000 1.024 1508 N CA 1.351 54.418 53.050 0.028 0.000 0.766 1508 N CB -1.121 37.391 38.487 0.041 0.000 0.898 1508 N HN 0.382 nan 8.380 nan 0.000 0.548 1509 F N -2.414 117.544 119.950 0.014 0.000 2.629 1509 F HA 0.784 5.311 4.527 0.000 0.000 0.316 1509 F C -0.118 175.695 175.800 0.022 0.000 1.081 1509 F CA -0.886 57.125 58.000 0.019 0.000 0.954 1509 F CB 1.372 40.387 39.000 0.026 0.000 1.337 1509 F HN -0.165 nan 8.300 nan 0.000 0.474 1510 T N 2.825 117.538 114.554 0.264 0.000 2.893 1510 T HA 0.569 4.919 4.350 0.000 0.000 0.291 1510 T C -0.988 173.869 174.700 0.261 0.000 1.028 1510 T CA -0.515 61.661 62.100 0.126 0.000 0.995 1510 T CB 1.691 70.594 68.868 0.057 0.000 1.051 1510 T HN 0.468 nan 8.240 nan 0.000 0.470 1511 I N 2.401 123.075 120.570 0.173 0.000 2.392 1511 I HA 0.400 4.570 4.170 0.000 0.000 0.295 1511 I C 0.238 176.359 176.117 0.006 0.000 0.985 1511 I CA -0.353 61.040 61.300 0.156 0.000 1.221 1511 I CB 1.696 39.824 38.000 0.213 0.000 1.366 1511 I HN 0.604 nan 8.210 nan 0.000 0.467 1512 T N 5.692 120.235 114.554 -0.018 0.000 2.815 1512 T HA 0.359 4.709 4.350 0.000 0.000 0.289 1512 T C -0.353 174.277 174.700 -0.118 0.000 1.000 1512 T CA -0.451 61.593 62.100 -0.094 0.000 0.958 1512 T CB 1.596 70.444 68.868 -0.034 0.000 0.944 1512 T HN 0.432 nan 8.240 nan 0.000 0.442 1513 V N 3.905 123.667 119.914 -0.254 0.000 2.439 1513 V HA 0.587 4.708 4.120 0.000 0.000 0.282 1513 V C 0.463 176.530 176.094 -0.045 0.000 1.039 1513 V CA -0.444 61.773 62.300 -0.139 0.000 0.913 1513 V CB 1.260 32.987 31.823 -0.160 0.000 0.983 1513 V HN 0.882 nan 8.190 nan 0.000 0.460 1514 R N 3.232 123.743 120.500 0.019 0.000 2.373 1514 R HA 0.452 4.792 4.340 0.000 0.000 0.221 1514 R C 0.317 176.658 176.300 0.067 0.000 0.893 1514 R CA 0.028 56.154 56.100 0.044 0.000 1.049 1514 R CB 0.876 31.193 30.300 0.030 0.000 1.119 1514 R HN 0.881 nan 8.270 nan 0.000 0.535 1515 E N 0.644 120.893 120.200 0.083 0.000 2.372 1515 E HA 0.323 4.673 4.350 0.000 0.000 0.279 1515 E C -1.753 174.926 176.600 0.132 0.000 0.946 1515 E CA -0.626 55.831 56.400 0.095 0.000 0.769 1515 E CB 2.712 32.459 29.700 0.078 0.000 1.230 1515 E HN -0.184 nan 8.360 nan 0.000 0.442 1516 V N 4.044 124.054 119.914 0.160 0.000 2.525 1516 V HA 0.518 4.638 4.120 0.000 0.000 0.299 1516 V C -0.122 176.158 176.094 0.311 0.000 1.034 1516 V CA -0.751 61.689 62.300 0.233 0.000 0.863 1516 V CB 1.604 33.595 31.823 0.280 0.000 0.999 1516 V HN 0.600 nan 8.190 nan 0.000 0.423 1517 R N 2.990 123.629 120.500 0.232 0.000 2.797 1517 R HA 0.791 5.131 4.340 0.000 0.000 0.251 1517 R C -1.346 174.962 176.300 0.012 0.000 1.107 1517 R CA -0.993 55.220 56.100 0.188 0.000 1.084 1517 R CB 2.177 32.549 30.300 0.120 0.000 1.205 1517 R HN 0.490 nan 8.270 nan 0.000 0.515 1518 L N -0.542 120.614 121.223 -0.111 0.000 2.410 1518 L HA 0.380 4.720 4.340 0.000 0.000 0.270 1518 L C -1.092 175.687 176.870 -0.151 0.000 0.983 1518 L CA 0.073 54.709 54.840 -0.339 0.000 0.822 1518 L CB 2.448 44.029 42.059 -0.798 0.000 1.285 1518 L HN 0.458 nan 8.230 nan 0.000 0.409 1519 S N 4.132 119.771 115.700 -0.101 0.000 2.269 1519 S HA 0.429 4.899 4.470 0.000 0.000 0.194 1519 S C 1.004 175.603 174.600 -0.001 0.000 1.547 1519 S CA 0.028 58.230 58.200 0.003 0.000 1.186 1519 S CB 1.189 64.428 63.200 0.066 0.000 1.069 1519 S HN 0.858 nan 8.310 nan 0.000 0.473 1520 A N 1.616 124.405 122.820 -0.052 0.000 2.272 1520 A HA 0.083 4.403 4.320 0.000 0.000 0.213 1520 A C 1.576 179.203 177.584 0.073 0.000 1.183 1520 A CA 1.038 53.089 52.037 0.023 0.000 0.719 1520 A CB -0.331 18.679 19.000 0.016 0.000 0.771 1520 A HN 0.711 nan 8.150 nan 0.000 0.484 1521 G N -1.919 106.929 108.800 0.080 0.000 3.949 1521 G HA2 0.481 4.441 3.960 0.000 0.000 0.295 1521 G HA3 0.481 4.441 3.960 0.000 0.000 0.295 1521 G C 0.600 175.569 174.900 0.114 0.000 1.286 1521 G CA 0.540 45.702 45.100 0.103 0.000 1.171 1521 G HN 1.135 nan 8.290 nan 0.000 0.586 1522 G N 0.555 109.423 108.800 0.113 0.000 2.313 1522 G HA2 0.228 4.188 3.960 0.000 0.000 0.098 1522 G HA3 0.228 4.188 3.960 0.000 0.000 0.098 1522 G C 0.113 175.123 174.900 0.184 0.000 1.736 1522 G CA 0.256 45.465 45.100 0.182 0.000 1.073 1522 G HN 0.792 nan 8.290 nan 0.000 0.293 1523 R N -0.587 119.992 120.500 0.132 0.000 3.619 1523 R HA 0.792 5.132 4.340 0.000 0.000 0.259 1523 R C -1.035 175.290 176.300 0.040 0.000 1.069 1523 R CA -0.815 55.353 56.100 0.114 0.000 0.900 1523 R CB -0.445 29.947 30.300 0.152 0.000 1.600 1523 R HN 0.515 nan 8.270 nan 0.000 0.410 1524 L N 1.574 122.828 121.223 0.050 0.000 2.307 1524 L HA 0.582 4.922 4.340 0.000 0.000 0.282 1524 L C -0.398 176.514 176.870 0.069 0.000 1.051 1524 L CA -0.927 53.922 54.840 0.014 0.000 0.804 1524 L CB 1.169 43.256 42.059 0.048 0.000 1.197 1524 L HN 0.348 nan 8.230 nan 0.000 0.431 1525 I N 4.355 124.966 120.570 0.069 0.000 2.428 1525 I HA 0.206 4.376 4.170 0.000 0.000 0.279 1525 I C -0.115 176.082 176.117 0.132 0.000 1.040 1525 I CA -0.467 60.898 61.300 0.108 0.000 1.171 1525 I CB 1.413 39.474 38.000 0.100 0.000 1.312 1525 I HN 0.277 nan 8.210 nan 0.000 0.470 1526 V N 8.907 128.907 119.914 0.144 0.000 2.333 1526 V HA 0.659 4.779 4.120 0.000 0.000 0.274 1526 V C -2.451 173.721 176.094 0.129 0.000 1.028 1526 V CA -1.512 60.879 62.300 0.152 0.000 0.851 1526 V CB 1.661 33.587 31.823 0.172 0.000 1.000 1526 V HN 0.489 nan 8.190 nan 0.000 0.456 1527 P HA 0.470 nan 4.420 nan 0.000 0.296 1527 P C 0.103 177.441 177.300 0.064 0.000 1.310 1527 P CA -0.605 62.550 63.100 0.092 0.000 0.900 1527 P CB 2.570 34.326 31.700 0.092 0.000 1.111 1528 I N 0.764 121.363 120.570 0.048 0.000 4.785 1528 I HA 0.053 4.223 4.170 0.000 0.000 0.227 1528 I C 1.838 177.966 176.117 0.019 0.000 0.968 1528 I CA 0.737 62.052 61.300 0.024 0.000 1.561 1528 I CB -1.848 36.161 38.000 0.015 0.000 1.418 1528 I HN 0.354 nan 8.210 nan 0.000 0.449 1529 T N -0.015 114.545 114.554 0.009 0.000 3.092 1529 T HA 0.161 4.511 4.350 0.000 0.000 0.374 1529 T C 1.058 175.769 174.700 0.019 0.000 1.190 1529 T CA 0.038 62.143 62.100 0.007 0.000 1.021 1529 T CB -0.679 68.184 68.868 -0.007 0.000 1.556 1529 T HN 0.490 nan 8.240 nan 0.000 0.540 1530 G N -0.050 108.760 108.800 0.017 0.000 3.353 1530 G HA2 0.415 4.375 3.960 0.000 0.000 0.247 1530 G HA3 0.415 4.375 3.960 0.000 0.000 0.247 1530 G C 0.847 175.770 174.900 0.038 0.000 1.025 1530 G CA -0.079 45.037 45.100 0.028 0.000 1.863 1530 G HN 0.995 nan 8.290 nan 0.000 0.635 1531 A N 0.519 123.366 122.820 0.045 0.000 2.261 1531 A HA 0.219 4.539 4.320 0.000 0.000 0.208 1531 A C 1.562 179.208 177.584 0.103 0.000 1.223 1531 A CA -0.041 52.035 52.037 0.064 0.000 0.833 1531 A CB -0.133 18.905 19.000 0.063 0.000 0.830 1531 A HN 0.578 nan 8.150 nan 0.000 0.483 1532 I N -0.589 120.034 120.570 0.088 0.000 3.806 1532 I HA 0.184 4.354 4.170 0.000 0.000 0.321 1532 I C 0.914 177.096 176.117 0.108 0.000 1.315 1532 I CA -0.176 61.181 61.300 0.096 0.000 1.148 1532 I CB -0.175 37.866 38.000 0.068 0.000 1.028 1532 I HN 0.398 nan 8.210 nan 0.000 0.415 1533 M N 1.414 121.088 119.600 0.124 0.000 3.268 1533 M HA 0.025 4.505 4.480 0.000 0.000 0.249 1533 M C 1.107 177.551 176.300 0.240 0.000 1.527 1533 M CA 0.494 55.874 55.300 0.134 0.000 1.645 1533 M CB -0.314 32.348 32.600 0.103 0.000 1.193 1533 M HN 0.223 nan 8.290 nan 0.000 0.534 1534 T N 0.710 115.372 114.554 0.181 0.000 3.129 1534 T HA 0.226 4.576 4.350 0.000 0.000 0.251 1534 T C 0.513 175.262 174.700 0.082 0.000 1.117 1534 T CA -0.128 62.056 62.100 0.140 0.000 1.034 1534 T CB 0.034 68.903 68.868 0.001 0.000 0.968 1534 T HN 0.588 nan 8.240 nan 0.000 0.526 1535 M N 1.960 121.632 119.600 0.121 0.000 2.291 1535 M HA 0.415 4.895 4.480 0.000 0.000 0.202 1535 M C -3.237 173.118 176.300 0.091 0.000 0.985 1535 M CA -2.422 52.930 55.300 0.088 0.000 0.993 1535 M CB 1.858 34.487 32.600 0.048 0.000 2.723 1535 M HN -0.129 nan 8.290 nan 0.000 0.402 1536 P HA 0.299 nan 4.420 nan 0.000 0.269 1536 P C 0.296 177.627 177.300 0.053 0.000 1.209 1536 P CA 0.186 63.335 63.100 0.082 0.000 0.776 1536 P CB 0.828 32.582 31.700 0.090 0.000 0.876 1537 G N 1.564 110.386 108.800 0.037 0.000 2.613 1537 G HA2 0.598 4.558 3.960 0.000 0.000 0.303 1537 G HA3 0.598 4.558 3.960 0.000 0.000 0.303 1537 G C -1.015 173.899 174.900 0.024 0.000 1.312 1537 G CA -0.779 44.335 45.100 0.023 0.000 1.036 1537 G HN 0.371 nan 8.290 nan 0.000 0.513 1538 L N 0.603 121.837 121.223 0.018 0.000 2.343 1538 L HA 0.360 4.700 4.340 0.000 0.000 0.275 1538 L C -1.913 174.965 176.870 0.014 0.000 1.056 1538 L CA -1.523 53.331 54.840 0.022 0.000 0.804 1538 L CB 1.870 43.944 42.059 0.024 0.000 1.203 1538 L HN 0.295 nan 8.230 nan 0.000 0.440 1539 P HA 0.132 nan 4.420 nan 0.000 0.274 1539 P C -0.013 177.290 177.300 0.005 0.000 1.246 1539 P CA -0.688 62.415 63.100 0.005 0.000 0.795 1539 P CB 0.584 32.286 31.700 0.002 0.000 1.006 1540 K N 0.797 121.197 120.400 0.000 0.000 2.152 1540 K HA -0.162 4.159 4.320 0.000 0.000 0.206 1540 K C 0.913 177.515 176.600 0.003 0.000 1.048 1540 K CA 1.369 57.656 56.287 -0.000 0.000 0.933 1540 K CB -0.075 32.423 32.500 -0.004 0.000 0.721 1540 K HN 0.162 nan 8.250 nan 0.000 0.447 1541 R N 1.886 122.387 120.500 0.003 0.000 2.666 1541 R HA 0.260 4.600 4.340 0.000 0.000 0.275 1541 R C -2.585 173.721 176.300 0.010 0.000 1.266 1541 R CA -2.322 53.781 56.100 0.005 0.000 1.401 1541 R CB 0.771 31.070 30.300 -0.001 0.000 1.145 1541 R HN 0.078 nan 8.270 nan 0.000 0.581 1542 P HA 0.060 nan 4.420 nan 0.000 0.271 1542 P C 0.213 177.535 177.300 0.037 0.000 1.233 1542 P CA 0.119 63.240 63.100 0.036 0.000 0.764 1542 P CB 1.484 33.213 31.700 0.048 0.000 0.825 1543 A N 4.528 127.364 122.820 0.027 0.000 2.032 1543 A HA -0.231 4.089 4.320 0.000 0.000 0.221 1543 A C 2.086 179.686 177.584 0.026 0.000 1.165 1543 A CA 2.151 54.190 52.037 0.003 0.000 0.645 1543 A CB -1.320 17.657 19.000 -0.038 0.000 0.807 1543 A HN 0.547 nan 8.150 nan 0.000 0.453 1544 A N -1.175 121.704 122.820 0.098 0.000 1.972 1544 A HA -0.153 4.167 4.320 0.000 0.000 0.219 1544 A C 2.164 179.816 177.584 0.113 0.000 1.169 1544 A CA 1.533 53.683 52.037 0.188 0.000 0.635 1544 A CB -1.221 17.962 19.000 0.305 0.000 0.810 1544 A HN 0.628 nan 8.150 nan 0.000 0.446 1545 C N -0.190 119.152 119.300 0.070 0.000 2.422 1545 C HA -0.028 4.433 4.460 0.000 0.000 0.286 1545 C C 2.422 177.433 174.990 0.036 0.000 1.412 1545 C CA 1.187 60.233 59.018 0.046 0.000 1.786 1545 C CB -1.352 26.406 27.740 0.031 0.000 1.835 1545 C HN 0.701 nan 8.230 nan 0.000 0.533 1546 N N 0.140 118.859 118.700 0.031 0.000 2.368 1546 N HA 0.092 4.833 4.740 0.000 0.000 0.178 1546 N C 0.424 175.946 175.510 0.020 0.000 1.076 1546 N CA 0.121 53.181 53.050 0.018 0.000 0.889 1546 N CB 0.104 38.594 38.487 0.005 0.000 1.040 1546 N HN 0.219 nan 8.380 nan 0.000 0.463 1547 I N 1.905 122.493 120.570 0.030 0.000 2.880 1547 I HA -0.017 4.153 4.170 0.000 0.000 0.296 1547 I C 0.238 176.383 176.117 0.047 0.000 1.220 1547 I CA 1.022 62.341 61.300 0.031 0.000 1.435 1547 I CB 0.034 38.072 38.000 0.064 0.000 1.339 1547 I HN 0.113 nan 8.210 nan 0.000 0.583 1548 D N 5.028 125.451 120.400 0.037 0.000 2.745 1548 D HA 0.343 4.983 4.640 0.000 0.000 0.221 1548 D C -1.400 174.922 176.300 0.035 0.000 1.237 1548 D CA -0.479 53.545 54.000 0.040 0.000 0.781 1548 D CB 2.087 42.903 40.800 0.028 0.000 1.575 1548 D HN 0.435 nan 8.370 nan 0.000 0.482 1549 I N 2.621 123.216 120.570 0.041 0.000 2.355 1549 I HA 0.246 4.416 4.170 0.000 0.000 0.288 1549 I C 0.211 176.346 176.117 0.030 0.000 0.999 1549 I CA -0.530 60.793 61.300 0.038 0.000 1.163 1549 I CB 0.897 38.928 38.000 0.051 0.000 1.316 1549 I HN 0.287 nan 8.210 nan 0.000 0.454 1550 D N 5.260 125.674 120.400 0.023 0.000 2.335 1550 D HA -0.004 4.637 4.640 0.000 0.000 0.236 1550 D C 1.086 177.399 176.300 0.021 0.000 1.297 1550 D CA 0.480 54.492 54.000 0.019 0.000 0.906 1550 D CB 1.590 42.399 40.800 0.014 0.000 1.164 1550 D HN 0.717 nan 8.370 nan 0.000 0.469 1551 A N 1.528 124.359 122.820 0.018 0.000 2.272 1551 A HA -0.151 4.169 4.320 0.000 0.000 0.213 1551 A C 0.654 178.249 177.584 0.019 0.000 1.183 1551 A CA 1.855 53.903 52.037 0.018 0.000 0.719 1551 A CB -0.158 18.851 19.000 0.015 0.000 0.771 1551 A HN 0.641 nan 8.150 nan 0.000 0.484 1552 D N -2.666 117.746 120.400 0.019 0.000 2.887 1552 D HA 0.319 4.959 4.640 0.000 0.000 0.162 1552 D C 1.101 177.415 176.300 0.022 0.000 1.495 1552 D CA 0.411 54.423 54.000 0.020 0.000 1.531 1552 D CB -0.483 40.327 40.800 0.016 0.000 1.459 1552 D HN 0.287 nan 8.370 nan 0.000 0.256 1553 G N 0.659 109.469 108.800 0.018 0.000 2.502 1553 G HA2 0.527 4.487 3.960 0.000 0.000 0.305 1553 G HA3 0.527 4.487 3.960 0.000 0.000 0.305 1553 G C -0.015 174.895 174.900 0.017 0.000 1.190 1553 G CA -0.434 44.676 45.100 0.016 0.000 0.933 1553 G HN 0.066 nan 8.290 nan 0.000 0.503 1554 V N 0.079 120.002 119.914 0.015 0.000 3.295 1554 V HA 0.634 4.755 4.120 0.000 0.000 0.308 1554 V C 0.270 176.364 176.094 0.001 0.000 1.068 1554 V CA -0.463 61.844 62.300 0.012 0.000 1.062 1554 V CB 1.511 33.340 31.823 0.010 0.000 1.162 1554 V HN 0.690 nan 8.190 nan 0.000 0.456 1555 I N 0.338 120.906 120.570 -0.004 0.000 2.741 1555 I HA 0.350 4.521 4.170 0.000 0.000 0.288 1555 I C -0.039 176.067 176.117 -0.019 0.000 1.482 1555 I CA 0.195 61.489 61.300 -0.011 0.000 1.050 1555 I CB 1.925 39.922 38.000 -0.004 0.000 1.388 1555 I HN 0.803 nan 8.210 nan 0.000 0.428 1556 T N 2.906 117.442 114.554 -0.030 0.000 5.332 1556 T HA -0.098 4.252 4.350 0.000 0.000 0.267 1556 T C 0.378 175.034 174.700 -0.073 0.000 2.214 1556 T CA 0.703 62.778 62.100 -0.040 0.000 3.791 1556 T CB -1.798 67.053 68.868 -0.027 0.000 0.361 1556 T HN 1.043 nan 8.240 nan 0.000 1.115 1557 G N 0.000 108.750 108.800 -0.083 0.000 5.446 1557 G HA2 0.000 3.960 3.960 0.000 0.000 0.244 1557 G HA3 0.000 3.960 3.960 0.000 0.000 0.244 1557 G CA 0.000 45.022 45.100 -0.130 0.000 0.502 1557 G HN 0.000 nan 8.290 nan 0.000 0.925