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 1qsj_1_A DATA FIRST_RESID 1010 DATA SEQUENCE CGEQNMIGMT PTVIAVHYLD QTEQWEKFGL EKRQEALELI KKGYTQQLAF DATA SEQUENCE KQPISAYAAF NNRPPSTWLT AYVSRVFSLA ANLIAIDSQV LcGAVKWLIL DATA SEQUENCE EKQKPDGVFQ EDGPVIHQEM IGGFRNTKEA DVSLTAFVLI ALQEARDIcE DATA SEQUENCE GQVNSLPGSI NKAGEYLEAS YLNLQRPYTV AIAGYALALM NKLEEPYLTK DATA SEQUENCE FLNTAKDRNR WEEPGQQLYN VEATSYALLA LLLLKDFDSV PPVVRWLNDE DATA SEQUENCE RYYGGGYGST QATFMVFQAL AQYRAD 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 1010 C HA 0.000 nan 4.460 nan 0.000 0.325 1010 C C 0.000 174.462 174.990 -0.879 0.000 1.270 1010 C CA 0.000 58.801 59.018 -0.362 0.000 1.963 1010 C CB 0.000 27.634 27.740 -0.177 0.000 2.134 1011 G N 0.985 108.853 108.800 -1.553 0.000 3.639 1011 G HA2 -0.403 3.557 3.960 -0.001 0.000 0.224 1011 G HA3 -0.403 3.557 3.960 -0.001 0.000 0.224 1011 G C 0.665 175.260 174.900 -0.508 0.000 1.339 1011 G CA 1.475 45.818 45.100 -1.263 0.000 0.933 1011 G HN 0.617 nan 8.290 nan 0.000 0.568 1012 E N -0.450 119.499 120.200 -0.417 0.000 2.099 1012 E HA 0.144 4.494 4.350 -0.001 0.000 0.191 1012 E C 2.393 178.829 176.600 -0.273 0.000 0.962 1012 E CA 0.729 56.986 56.400 -0.237 0.000 0.826 1012 E CB -0.080 29.523 29.700 -0.162 0.000 0.788 1012 E HN 0.513 nan 8.360 nan 0.000 0.461 1013 Q N 1.094 120.668 119.800 -0.376 0.000 2.170 1013 Q HA -0.198 4.141 4.340 -0.001 0.000 0.203 1013 Q C 1.827 177.741 176.000 -0.144 0.000 0.976 1013 Q CA 1.510 57.123 55.803 -0.317 0.000 0.858 1013 Q CB -0.024 28.560 28.738 -0.256 0.000 0.907 1013 Q HN 0.072 nan 8.270 nan 0.000 0.433 1014 N N -1.058 117.565 118.700 -0.128 0.000 2.120 1014 N HA -0.151 4.589 4.740 -0.001 0.000 0.188 1014 N C 1.294 176.822 175.510 0.030 0.000 1.024 1014 N CA 1.428 54.467 53.050 -0.018 0.000 0.852 1014 N CB 0.047 38.543 38.487 0.015 0.000 1.003 1014 N HN 0.181 nan 8.380 nan 0.000 0.424 1015 M N 0.040 119.649 119.600 0.015 0.000 2.229 1015 M HA 0.010 4.489 4.480 -0.001 0.000 0.264 1015 M C 1.958 178.364 176.300 0.177 0.000 1.063 1015 M CA 0.823 56.193 55.300 0.117 0.000 1.114 1015 M CB -0.820 31.877 32.600 0.162 0.000 1.387 1015 M HN 0.259 nan 8.290 nan 0.000 0.420 1016 I N -0.360 120.252 120.570 0.070 0.000 2.202 1016 I HA -0.191 3.978 4.170 -0.001 0.000 0.242 1016 I C 2.468 178.635 176.117 0.084 0.000 1.091 1016 I CA 1.417 62.751 61.300 0.056 0.000 1.368 1016 I CB -0.838 37.117 38.000 -0.074 0.000 1.058 1016 I HN 0.314 nan 8.210 nan 0.000 0.410 1017 G N 1.268 110.102 108.800 0.056 0.000 2.422 1017 G HA2 -0.244 3.716 3.960 -0.001 0.000 0.218 1017 G HA3 -0.244 3.716 3.960 -0.001 0.000 0.218 1017 G C 1.687 176.647 174.900 0.099 0.000 1.140 1017 G CA 0.857 46.000 45.100 0.071 0.000 0.775 1017 G HN 0.495 nan 8.290 nan 0.000 0.545 1018 M N -0.737 118.935 119.600 0.121 0.000 2.510 1018 M HA 0.238 4.717 4.480 -0.001 0.000 0.256 1018 M C 2.073 178.467 176.300 0.157 0.000 1.132 1018 M CA 1.183 56.563 55.300 0.134 0.000 1.105 1018 M CB -0.433 32.256 32.600 0.149 0.000 1.375 1018 M HN -0.084 nan 8.290 nan 0.000 0.477 1019 T N 2.638 117.313 114.554 0.202 0.000 2.635 1019 T HA -0.076 4.273 4.350 -0.001 0.000 0.267 1019 T C -0.717 174.106 174.700 0.205 0.000 1.040 1019 T CA 2.162 64.427 62.100 0.274 0.000 1.156 1019 T CB -1.404 67.697 68.868 0.389 0.000 0.863 1019 T HN 0.345 nan 8.240 nan 0.000 0.430 1020 P HA -0.073 nan 4.420 nan 0.000 0.216 1020 P C 1.595 178.893 177.300 -0.003 0.000 1.153 1020 P CA 1.359 64.510 63.100 0.085 0.000 0.858 1020 P CB -0.276 31.472 31.700 0.081 0.000 0.789 1021 T N -0.939 113.636 114.554 0.034 0.000 2.812 1021 T HA -0.075 4.274 4.350 -0.001 0.000 0.264 1021 T C 1.864 176.572 174.700 0.013 0.000 1.042 1021 T CA 1.053 63.164 62.100 0.019 0.000 1.140 1021 T CB -1.014 67.892 68.868 0.064 0.000 0.870 1021 T HN -0.131 nan 8.240 nan 0.000 0.445 1022 V N 1.263 121.208 119.914 0.052 0.000 2.255 1022 V HA -0.139 3.980 4.120 -0.001 0.000 0.247 1022 V C 2.332 178.422 176.094 -0.007 0.000 1.051 1022 V CA 1.469 63.801 62.300 0.054 0.000 1.018 1022 V CB -0.480 31.410 31.823 0.111 0.000 0.641 1022 V HN 0.357 nan 8.190 nan 0.000 0.445 1023 I N -0.004 120.520 120.570 -0.078 0.000 2.761 1023 I HA -0.017 4.153 4.170 -0.001 0.000 0.261 1023 I C 2.230 178.230 176.117 -0.195 0.000 1.198 1023 I CA 1.200 62.385 61.300 -0.191 0.000 1.482 1023 I CB -0.429 37.390 38.000 -0.301 0.000 1.100 1023 I HN 0.178 nan 8.210 nan 0.000 0.445 1024 A N -0.691 121.952 122.820 -0.295 0.000 1.929 1024 A HA -0.074 4.245 4.320 -0.001 0.000 0.216 1024 A C 2.327 179.737 177.584 -0.289 0.000 1.176 1024 A CA 1.610 53.368 52.037 -0.466 0.000 0.628 1024 A CB -0.873 17.851 19.000 -0.460 0.000 0.816 1024 A HN 0.222 nan 8.150 nan 0.000 0.444 1025 V N -0.384 119.471 119.914 -0.098 0.000 2.358 1025 V HA -0.254 3.866 4.120 -0.001 0.000 0.246 1025 V C 2.445 178.593 176.094 0.090 0.000 1.047 1025 V CA 2.381 64.735 62.300 0.089 0.000 1.035 1025 V CB -1.007 30.930 31.823 0.191 0.000 0.658 1025 V HN 0.868 nan 8.190 nan 0.000 0.452 1026 H N -0.813 118.239 119.070 -0.030 0.000 2.319 1026 H HA -0.271 4.284 4.556 -0.001 0.000 0.299 1026 H C 2.165 177.476 175.328 -0.029 0.000 1.092 1026 H CA 2.500 58.534 56.048 -0.025 0.000 1.302 1026 H CB -0.304 29.419 29.762 -0.065 0.000 1.373 1026 H HN 0.487 nan 8.280 nan 0.000 0.497 1027 Y N 0.523 120.771 120.300 -0.086 0.000 2.163 1027 Y HA -0.143 4.407 4.550 -0.001 0.000 0.288 1027 Y C 2.143 177.893 175.900 -0.251 0.000 1.136 1027 Y CA 1.745 59.771 58.100 -0.124 0.000 1.147 1027 Y CB -0.364 38.056 38.460 -0.066 0.000 0.987 1027 Y HN 0.230 nan 8.280 nan 0.000 0.509 1028 L N -0.157 120.809 121.223 -0.427 0.000 2.141 1028 L HA -0.193 4.147 4.340 -0.001 0.000 0.209 1028 L C 1.989 178.580 176.870 -0.466 0.000 1.094 1028 L CA 1.337 55.723 54.840 -0.758 0.000 0.763 1028 L CB -0.557 40.567 42.059 -1.558 0.000 0.908 1028 L HN 0.181 nan 8.230 nan 0.000 0.437 1029 D N -0.481 119.851 120.400 -0.114 0.000 2.077 1029 D HA -0.167 4.473 4.640 -0.001 0.000 0.196 1029 D C 2.354 178.582 176.300 -0.120 0.000 0.986 1029 D CA 1.031 55.078 54.000 0.078 0.000 0.829 1029 D CB -0.152 40.675 40.800 0.046 0.000 0.983 1029 D HN 0.185 nan 8.370 nan 0.000 0.453 1030 Q N -0.210 119.421 119.800 -0.282 0.000 2.170 1030 Q HA -0.079 4.260 4.340 -0.001 0.000 0.203 1030 Q C 2.022 177.865 176.000 -0.262 0.000 0.976 1030 Q CA 1.554 57.184 55.803 -0.288 0.000 0.858 1030 Q CB -0.700 27.804 28.738 -0.390 0.000 0.907 1030 Q HN 0.478 nan 8.270 nan 0.000 0.433 1031 T N -2.693 111.635 114.554 -0.376 0.000 3.086 1031 T HA 0.129 4.479 4.350 -0.001 0.000 0.250 1031 T C -0.017 174.544 174.700 -0.232 0.000 1.074 1031 T CA -0.041 61.848 62.100 -0.352 0.000 0.988 1031 T CB 0.060 68.570 68.868 -0.597 0.000 0.988 1031 T HN 0.312 nan 8.240 nan 0.000 0.530 1032 E N 1.301 121.396 120.200 -0.175 0.000 2.230 1032 E HA -0.203 4.146 4.350 -0.001 0.000 0.206 1032 E C -0.256 176.305 176.600 -0.064 0.000 1.309 1032 E CA 0.258 56.626 56.400 -0.054 0.000 0.697 1032 E CB -1.608 28.073 29.700 -0.031 0.000 1.146 1032 E HN 0.725 nan 8.360 nan 0.000 0.363 1033 Q N -1.023 118.681 119.800 -0.160 0.000 2.155 1033 Q HA 0.102 4.441 4.340 -0.001 0.000 0.273 1033 Q C 0.540 176.478 176.000 -0.102 0.000 0.857 1033 Q CA -0.297 55.428 55.803 -0.129 0.000 1.116 1033 Q CB 0.229 28.858 28.738 -0.181 0.000 1.209 1033 Q HN 0.489 nan 8.270 nan 0.000 0.460 1034 W N 0.798 122.103 121.300 0.008 0.000 2.584 1034 W HA -0.042 4.618 4.660 -0.001 0.000 0.264 1034 W C 1.898 178.481 176.519 0.108 0.000 1.264 1034 W CA 0.514 57.903 57.345 0.073 0.000 1.306 1034 W CB 0.568 30.043 29.460 0.025 0.000 1.110 1034 W HN 0.315 nan 8.180 nan 0.000 0.606 1035 E N 0.805 121.162 120.200 0.261 0.000 2.058 1035 E HA -0.241 4.109 4.350 -0.001 0.000 0.194 1035 E C 2.001 178.689 176.600 0.147 0.000 0.997 1035 E CA 1.586 58.089 56.400 0.171 0.000 0.801 1035 E CB -0.142 29.621 29.700 0.105 0.000 0.746 1035 E HN 0.079 nan 8.360 nan 0.000 0.450 1036 K N -1.082 119.395 120.400 0.128 0.000 2.103 1036 K HA -0.113 4.207 4.320 -0.001 0.000 0.204 1036 K C 1.982 178.657 176.600 0.125 0.000 1.052 1036 K CA 0.950 57.297 56.287 0.101 0.000 0.945 1036 K CB -0.188 32.360 32.500 0.081 0.000 0.722 1036 K HN 0.122 nan 8.250 nan 0.000 0.443 1037 F N 0.342 120.304 119.950 0.021 0.000 2.128 1037 F HA 0.090 4.616 4.527 -0.001 0.000 0.295 1037 F C 0.611 176.482 175.800 0.118 0.000 1.100 1037 F CA 1.709 59.720 58.000 0.019 0.000 1.260 1037 F CB 0.484 39.406 39.000 -0.129 0.000 1.009 1037 F HN 0.133 nan 8.300 nan 0.000 0.476 1038 G N 0.925 109.934 108.800 0.348 0.000 2.781 1038 G HA2 -0.067 3.893 3.960 -0.001 0.000 0.468 1038 G HA3 -0.067 3.893 3.960 -0.001 0.000 0.468 1038 G C 0.047 175.192 174.900 0.408 0.000 1.186 1038 G CA -0.273 44.969 45.100 0.238 0.000 1.220 1038 G HN 0.165 nan 8.290 nan 0.000 0.564 1039 L N 1.516 122.901 121.223 0.271 0.000 2.081 1039 L HA -0.065 4.274 4.340 -0.001 0.000 0.212 1039 L C 2.581 179.447 176.870 -0.007 0.000 1.080 1039 L CA 2.890 57.804 54.840 0.124 0.000 0.754 1039 L CB -0.674 41.413 42.059 0.048 0.000 0.893 1039 L HN 0.838 nan 8.230 nan 0.000 0.433 1040 E N -1.135 119.088 120.200 0.038 0.000 2.516 1040 E HA -0.130 4.219 4.350 -0.001 0.000 0.199 1040 E C 1.745 178.364 176.600 0.031 0.000 1.069 1040 E CA 0.548 56.950 56.400 0.004 0.000 0.876 1040 E CB -0.287 29.420 29.700 0.012 0.000 0.843 1040 E HN 0.382 nan 8.360 nan 0.000 0.530 1041 K N 0.395 120.871 120.400 0.127 0.000 2.314 1041 K HA 0.123 4.443 4.320 -0.001 0.000 0.198 1041 K C 2.009 178.717 176.600 0.180 0.000 1.045 1041 K CA 0.165 56.588 56.287 0.226 0.000 0.988 1041 K CB 0.085 32.846 32.500 0.436 0.000 0.783 1041 K HN 0.004 nan 8.250 nan 0.000 0.484 1042 R N 1.251 121.670 120.500 -0.136 0.000 2.127 1042 R HA -0.201 4.138 4.340 -0.001 0.000 0.238 1042 R C 2.200 178.379 176.300 -0.202 0.000 1.134 1042 R CA 1.496 57.309 56.100 -0.479 0.000 0.975 1042 R CB 0.086 29.567 30.300 -1.365 0.000 0.865 1042 R HN 0.023 nan 8.270 nan 0.000 0.447 1043 Q N 0.850 120.562 119.800 -0.146 0.000 2.079 1043 Q HA -0.127 4.212 4.340 -0.001 0.000 0.200 1043 Q C 1.458 177.444 176.000 -0.022 0.000 0.974 1043 Q CA 1.855 57.607 55.803 -0.086 0.000 0.840 1043 Q CB 0.104 28.797 28.738 -0.075 0.000 0.898 1043 Q HN 0.435 nan 8.270 nan 0.000 0.430 1044 E N -0.543 119.665 120.200 0.013 0.000 2.106 1044 E HA -0.141 4.208 4.350 -0.001 0.000 0.192 1044 E C 1.821 178.460 176.600 0.064 0.000 0.984 1044 E CA 0.803 57.228 56.400 0.042 0.000 0.806 1044 E CB -0.147 29.589 29.700 0.060 0.000 0.750 1044 E HN 0.450 nan 8.360 nan 0.000 0.458 1045 A N 1.523 124.399 122.820 0.094 0.000 1.877 1045 A HA -0.152 4.167 4.320 -0.001 0.000 0.216 1045 A C 2.218 179.845 177.584 0.072 0.000 1.186 1045 A CA 0.966 53.073 52.037 0.117 0.000 0.620 1045 A CB -0.678 18.441 19.000 0.197 0.000 0.822 1045 A HN 0.130 nan 8.150 nan 0.000 0.443 1046 L N -0.425 120.820 121.223 0.036 0.000 2.079 1046 L HA -0.196 4.144 4.340 -0.001 0.000 0.210 1046 L C 2.561 179.441 176.870 0.016 0.000 1.081 1046 L CA 1.287 56.133 54.840 0.010 0.000 0.752 1046 L CB -0.592 41.447 42.059 -0.032 0.000 0.896 1046 L HN 0.382 nan 8.230 nan 0.000 0.433 1047 E N -0.111 120.101 120.200 0.021 0.000 2.150 1047 E HA -0.186 4.164 4.350 -0.001 0.000 0.193 1047 E C 2.167 178.794 176.600 0.046 0.000 0.985 1047 E CA 0.718 57.134 56.400 0.027 0.000 0.814 1047 E CB -0.232 29.483 29.700 0.025 0.000 0.752 1047 E HN 0.360 nan 8.360 nan 0.000 0.466 1048 L N 0.923 122.179 121.223 0.056 0.000 2.056 1048 L HA -0.106 4.233 4.340 -0.001 0.000 0.207 1048 L C 2.198 179.115 176.870 0.078 0.000 1.078 1048 L CA 1.301 56.182 54.840 0.069 0.000 0.749 1048 L CB -0.569 41.536 42.059 0.076 0.000 0.901 1048 L HN 0.082 nan 8.230 nan 0.000 0.433 1049 I N 0.084 120.696 120.570 0.071 0.000 2.286 1049 I HA -0.336 3.833 4.170 -0.001 0.000 0.248 1049 I C 2.513 178.679 176.117 0.080 0.000 1.115 1049 I CA 1.185 62.530 61.300 0.075 0.000 1.392 1049 I CB -0.270 37.758 38.000 0.047 0.000 1.065 1049 I HN 0.235 nan 8.210 nan 0.000 0.418 1050 K N 0.987 121.423 120.400 0.059 0.000 2.057 1050 K HA -0.177 4.142 4.320 -0.001 0.000 0.207 1050 K C 2.133 178.806 176.600 0.123 0.000 1.049 1050 K CA 1.383 57.717 56.287 0.078 0.000 0.931 1050 K CB -0.072 32.453 32.500 0.043 0.000 0.714 1050 K HN 0.243 nan 8.250 nan 0.000 0.440 1051 K N -0.108 120.348 120.400 0.094 0.000 2.057 1051 K HA -0.095 4.224 4.320 -0.001 0.000 0.207 1051 K C 2.247 178.913 176.600 0.111 0.000 1.049 1051 K CA 1.375 57.716 56.287 0.090 0.000 0.931 1051 K CB -0.267 32.279 32.500 0.076 0.000 0.714 1051 K HN 0.255 nan 8.250 nan 0.000 0.440 1052 G N 0.456 109.335 108.800 0.131 0.000 2.421 1052 G HA2 -0.304 3.655 3.960 -0.001 0.000 0.216 1052 G HA3 -0.304 3.655 3.960 -0.001 0.000 0.216 1052 G C 1.447 176.469 174.900 0.203 0.000 1.171 1052 G CA 0.903 46.099 45.100 0.160 0.000 0.775 1052 G HN 0.349 nan 8.290 nan 0.000 0.543 1053 Y N 1.969 122.303 120.300 0.056 0.000 2.181 1053 Y HA -0.136 4.413 4.550 -0.001 0.000 0.288 1053 Y C 2.931 178.854 175.900 0.039 0.000 1.146 1053 Y CA 2.281 60.366 58.100 -0.025 0.000 1.164 1053 Y CB -0.526 37.763 38.460 -0.286 0.000 0.982 1053 Y HN 0.171 nan 8.280 nan 0.000 0.515 1054 T N 0.366 114.853 114.554 -0.111 0.000 2.821 1054 T HA -0.180 4.170 4.350 -0.001 0.000 0.267 1054 T C 1.695 176.342 174.700 -0.090 0.000 1.046 1054 T CA 1.411 63.399 62.100 -0.187 0.000 1.139 1054 T CB -0.231 68.628 68.868 -0.014 0.000 0.871 1054 T HN 0.236 nan 8.240 nan 0.000 0.454 1055 Q N 1.058 120.873 119.800 0.025 0.000 2.119 1055 Q HA -0.038 4.302 4.340 -0.001 0.000 0.201 1055 Q C 2.254 178.371 176.000 0.195 0.000 0.972 1055 Q CA 1.410 57.274 55.803 0.102 0.000 0.847 1055 Q CB -0.457 28.373 28.738 0.153 0.000 0.903 1055 Q HN 0.454 nan 8.270 nan 0.000 0.433 1056 Q N -0.309 119.611 119.800 0.200 0.000 2.224 1056 Q HA 0.004 4.344 4.340 -0.001 0.000 0.203 1056 Q C 1.836 178.026 176.000 0.316 0.000 0.970 1056 Q CA 0.927 56.916 55.803 0.310 0.000 0.865 1056 Q CB -0.149 28.759 28.738 0.282 0.000 0.922 1056 Q HN 0.429 nan 8.270 nan 0.000 0.445 1057 L N -0.476 120.800 121.223 0.090 0.000 2.265 1057 L HA -0.080 4.259 4.340 -0.001 0.000 0.215 1057 L C 2.108 178.966 176.870 -0.020 0.000 1.117 1057 L CA 0.789 55.651 54.840 0.036 0.000 0.782 1057 L CB -0.660 41.305 42.059 -0.157 0.000 0.914 1057 L HN 0.239 nan 8.230 nan 0.000 0.441 1058 A N -0.514 122.237 122.820 -0.115 0.000 2.121 1058 A HA -0.081 4.238 4.320 -0.001 0.000 0.218 1058 A C 1.618 178.874 177.584 -0.547 0.000 1.154 1058 A CA 1.054 52.873 52.037 -0.364 0.000 0.679 1058 A CB -0.462 18.222 19.000 -0.527 0.000 0.795 1058 A HN 0.413 nan 8.150 nan 0.000 0.458 1059 F N -0.473 119.530 119.950 0.089 0.000 2.653 1059 F HA 0.246 4.772 4.527 -0.001 0.000 0.304 1059 F C 0.826 176.624 175.800 -0.005 0.000 1.092 1059 F CA -0.199 57.857 58.000 0.094 0.000 1.279 1059 F CB 0.395 39.485 39.000 0.150 0.000 1.044 1059 F HN -0.026 nan 8.300 nan 0.000 0.564 1060 K N 2.545 122.939 120.400 -0.010 0.000 2.349 1060 K HA 0.153 4.472 4.320 -0.001 0.000 0.289 1060 K C -0.006 176.402 176.600 -0.319 0.000 1.064 1060 K CA -0.202 55.806 56.287 -0.465 0.000 0.947 1060 K CB 0.488 32.827 32.500 -0.268 0.000 1.007 1060 K HN 0.270 nan 8.250 nan 0.000 0.478 1061 Q N 4.153 123.720 119.800 -0.388 0.000 2.382 1061 Q HA 0.095 4.434 4.340 -0.001 0.000 0.229 1061 Q C -1.774 174.097 176.000 -0.214 0.000 1.006 1061 Q CA -2.031 53.631 55.803 -0.235 0.000 0.916 1061 Q CB 0.400 29.009 28.738 -0.216 0.000 1.235 1061 Q HN 0.479 nan 8.270 nan 0.000 0.512 1062 P HA -0.190 nan 4.420 nan 0.000 0.219 1062 P C 0.875 178.123 177.300 -0.086 0.000 1.144 1062 P CA 1.157 64.206 63.100 -0.085 0.000 0.806 1062 P CB 0.121 31.794 31.700 -0.044 0.000 0.771 1063 I N -1.963 118.528 120.570 -0.132 0.000 3.428 1063 I HA 0.020 4.189 4.170 -0.001 0.000 0.286 1063 I C 0.514 176.506 176.117 -0.209 0.000 1.287 1063 I CA 0.539 61.772 61.300 -0.111 0.000 1.396 1063 I CB -0.546 37.386 38.000 -0.114 0.000 1.062 1063 I HN -0.167 nan 8.210 nan 0.000 0.471 1064 S N -0.597 114.922 115.700 -0.301 0.000 2.827 1064 S HA -0.136 4.333 4.470 -0.001 0.000 0.269 1064 S C 0.627 174.872 174.600 -0.591 0.000 1.323 1064 S CA 0.565 58.572 58.200 -0.321 0.000 1.176 1064 S CB -2.050 61.092 63.200 -0.096 0.000 1.436 1064 S HN 0.775 nan 8.310 nan 0.000 0.673 1065 A N -0.254 122.041 122.820 -0.874 0.000 2.256 1065 A HA 0.828 5.148 4.320 -0.001 0.000 0.318 1065 A C -0.540 176.471 177.584 -0.954 0.000 1.103 1065 A CA -0.323 51.056 52.037 -1.098 0.000 0.860 1065 A CB 0.603 18.429 19.000 -1.956 0.000 1.182 1065 A HN 0.359 nan 8.150 nan 0.000 0.501 1066 Y N -1.271 118.810 120.300 -0.365 0.000 2.562 1066 Y HA 0.703 5.252 4.550 -0.001 0.000 0.343 1066 Y C 0.464 176.301 175.900 -0.104 0.000 1.025 1066 Y CA 0.006 58.009 58.100 -0.162 0.000 1.082 1066 Y CB 2.243 40.633 38.460 -0.117 0.000 1.264 1066 Y HN 0.989 nan 8.280 nan 0.000 0.478 1067 A N 0.072 122.959 122.820 0.112 0.000 2.610 1067 A HA 0.697 5.016 4.320 -0.001 0.000 0.291 1067 A C 0.319 177.865 177.584 -0.064 0.000 1.086 1067 A CA -0.277 51.788 52.037 0.047 0.000 0.677 1067 A CB 0.504 19.542 19.000 0.063 0.000 1.278 1067 A HN 0.976 nan 8.150 nan 0.000 0.414 1068 A N -0.128 122.556 122.820 -0.226 0.000 1.948 1068 A HA 0.303 4.622 4.320 -0.001 0.000 0.220 1068 A C 0.418 177.484 177.584 -0.863 0.000 1.177 1068 A CA 1.637 53.282 52.037 -0.653 0.000 0.636 1068 A CB -0.535 17.970 19.000 -0.824 0.000 0.815 1068 A HN 0.864 nan 8.150 nan 0.000 0.449 1069 F N -3.038 116.974 119.950 0.104 0.000 2.588 1069 F HA 0.378 4.905 4.527 -0.000 0.000 0.314 1069 F C 0.731 176.665 175.800 0.224 0.000 1.069 1069 F CA -1.186 56.951 58.000 0.229 0.000 0.931 1069 F CB 1.185 40.275 39.000 0.150 0.000 1.260 1069 F HN -0.180 nan 8.300 nan 0.000 0.465 1070 N N 0.560 119.514 118.700 0.425 0.000 2.520 1070 N HA -0.109 4.630 4.740 -0.001 0.000 0.185 1070 N C 0.695 176.300 175.510 0.158 0.000 1.068 1070 N CA 0.881 54.060 53.050 0.215 0.000 0.911 1070 N CB -0.239 38.318 38.487 0.115 0.000 0.961 1070 N HN 0.673 nan 8.380 nan 0.000 0.446 1071 N N -0.158 118.663 118.700 0.202 0.000 2.392 1071 N HA 0.035 4.775 4.740 -0.001 0.000 0.177 1071 N C 0.380 175.979 175.510 0.148 0.000 1.066 1071 N CA -0.182 52.949 53.050 0.136 0.000 0.895 1071 N CB 0.666 39.212 38.487 0.097 0.000 0.988 1071 N HN 0.069 nan 8.380 nan 0.000 0.457 1072 R N 1.940 122.568 120.500 0.213 0.000 2.308 1072 R HA 0.249 4.588 4.340 -0.001 0.000 0.305 1072 R C -2.636 173.741 176.300 0.129 0.000 1.053 1072 R CA -1.734 54.479 56.100 0.189 0.000 0.957 1072 R CB 0.752 31.204 30.300 0.253 0.000 1.022 1072 R HN -0.152 nan 8.270 nan 0.000 0.461 1073 P HA -0.004 nan 4.420 nan 0.000 0.265 1073 P C -2.451 174.917 177.300 0.113 0.000 1.187 1073 P CA -0.717 62.449 63.100 0.110 0.000 0.766 1073 P CB 0.158 31.927 31.700 0.116 0.000 0.820 1074 P HA -0.029 nan 4.420 nan 0.000 0.266 1074 P C -0.328 177.093 177.300 0.201 0.000 1.195 1074 P CA 0.333 63.471 63.100 0.063 0.000 0.768 1074 P CB 0.482 32.108 31.700 -0.124 0.000 0.838 1075 S N 1.638 117.447 115.700 0.181 0.000 2.457 1075 S HA 0.233 4.703 4.470 -0.001 0.000 0.289 1075 S C 1.317 176.143 174.600 0.377 0.000 1.163 1075 S CA -0.365 58.001 58.200 0.276 0.000 1.078 1075 S CB 0.083 63.433 63.200 0.250 0.000 0.987 1075 S HN 0.381 nan 8.310 nan 0.000 0.482 1076 T N 4.468 119.293 114.554 0.452 0.000 2.777 1076 T HA -0.088 4.261 4.350 -0.001 0.000 0.266 1076 T C 1.204 176.092 174.700 0.314 0.000 1.040 1076 T CA 1.395 63.771 62.100 0.461 0.000 1.141 1076 T CB -0.410 68.640 68.868 0.303 0.000 0.868 1076 T HN 0.871 nan 8.240 nan 0.000 0.444 1077 W N 1.512 122.898 121.300 0.142 0.000 2.355 1077 W HA -0.078 4.582 4.660 -0.001 0.000 0.309 1077 W C 1.969 178.570 176.519 0.138 0.000 1.206 1077 W CA 0.677 58.048 57.345 0.042 0.000 1.284 1077 W CB -0.599 28.809 29.460 -0.086 0.000 1.145 1077 W HN 0.137 nan 8.180 nan 0.000 0.502 1078 L N 0.598 122.048 121.223 0.379 0.000 2.046 1078 L HA -0.186 4.154 4.340 -0.001 0.000 0.208 1078 L C 2.304 179.167 176.870 -0.011 0.000 1.077 1078 L CA 2.793 57.756 54.840 0.205 0.000 0.747 1078 L CB -1.309 40.906 42.059 0.260 0.000 0.896 1078 L HN -0.056 nan 8.230 nan 0.000 0.432 1079 T N -0.260 114.344 114.554 0.082 0.000 2.788 1079 T HA -0.124 4.226 4.350 -0.001 0.000 0.268 1079 T C 1.873 176.542 174.700 -0.051 0.000 1.044 1079 T CA 1.230 63.381 62.100 0.085 0.000 1.139 1079 T CB -0.480 68.478 68.868 0.150 0.000 0.867 1079 T HN 0.522 nan 8.240 nan 0.000 0.454 1080 A N 0.267 123.042 122.820 -0.075 0.000 1.968 1080 A HA -0.027 4.293 4.320 -0.001 0.000 0.217 1080 A C 2.069 179.436 177.584 -0.362 0.000 1.169 1080 A CA 1.084 52.994 52.037 -0.212 0.000 0.638 1080 A CB -0.825 18.057 19.000 -0.197 0.000 0.812 1080 A HN 0.557 nan 8.150 nan 0.000 0.446 1081 Y N 0.409 120.391 120.300 -0.530 0.000 2.314 1081 Y HA -0.094 4.456 4.550 -0.001 0.000 0.293 1081 Y C 2.245 177.826 175.900 -0.533 0.000 1.129 1081 Y CA 1.465 59.207 58.100 -0.597 0.000 1.201 1081 Y CB -0.172 37.773 38.460 -0.858 0.000 0.999 1081 Y HN 0.067 nan 8.280 nan 0.000 0.541 1082 V N -0.808 118.750 119.914 -0.594 0.000 2.358 1082 V HA -0.258 3.861 4.120 -0.001 0.000 0.246 1082 V C 2.618 178.234 176.094 -0.796 0.000 1.047 1082 V CA 2.022 63.757 62.300 -0.941 0.000 1.035 1082 V CB -0.969 30.124 31.823 -1.217 0.000 0.658 1082 V HN 0.511 nan 8.190 nan 0.000 0.452 1083 S N -0.048 115.372 115.700 -0.467 0.000 2.383 1083 S HA -0.242 4.227 4.470 -0.001 0.000 0.227 1083 S C 2.211 176.657 174.600 -0.257 0.000 1.026 1083 S CA 1.816 59.865 58.200 -0.251 0.000 0.981 1083 S CB -0.306 62.791 63.200 -0.171 0.000 0.818 1083 S HN 0.599 nan 8.310 nan 0.000 0.472 1084 R N 0.236 120.485 120.500 -0.420 0.000 2.075 1084 R HA -0.026 4.314 4.340 -0.001 0.000 0.232 1084 R C 2.033 178.139 176.300 -0.325 0.000 1.126 1084 R CA 1.789 57.633 56.100 -0.426 0.000 0.963 1084 R CB -0.474 29.430 30.300 -0.660 0.000 0.858 1084 R HN 0.398 nan 8.270 nan 0.000 0.435 1085 V N 0.634 120.260 119.914 -0.480 0.000 2.283 1085 V HA -0.180 3.940 4.120 -0.001 0.000 0.243 1085 V C 2.210 178.385 176.094 0.136 0.000 1.039 1085 V CA 1.480 63.676 62.300 -0.173 0.000 1.016 1085 V CB -0.681 30.937 31.823 -0.342 0.000 0.650 1085 V HN 0.211 nan 8.190 nan 0.000 0.449 1086 F N 1.096 120.960 119.950 -0.144 0.000 2.202 1086 F HA -0.132 4.394 4.527 -0.001 0.000 0.301 1086 F C 2.700 178.461 175.800 -0.066 0.000 1.082 1086 F CA 1.288 59.244 58.000 -0.073 0.000 1.313 1086 F CB -1.332 37.648 39.000 -0.033 0.000 1.024 1086 F HN 0.098 nan 8.300 nan 0.000 0.495 1087 S N 0.200 115.972 115.700 0.119 0.000 2.368 1087 S HA -0.151 4.318 4.470 -0.001 0.000 0.224 1087 S C 2.163 176.792 174.600 0.047 0.000 1.029 1087 S CA 0.952 59.184 58.200 0.053 0.000 0.988 1087 S CB -0.518 62.687 63.200 0.008 0.000 0.838 1087 S HN 0.383 nan 8.310 nan 0.000 0.462 1088 L N 1.195 122.458 121.223 0.067 0.000 2.072 1088 L HA 0.090 4.429 4.340 -0.001 0.000 0.205 1088 L C 2.254 179.157 176.870 0.056 0.000 1.079 1088 L CA 1.347 56.223 54.840 0.059 0.000 0.752 1088 L CB -0.481 41.609 42.059 0.051 0.000 0.906 1088 L HN 0.276 nan 8.230 nan 0.000 0.436 1089 A N -0.372 122.481 122.820 0.054 0.000 2.121 1089 A HA 0.019 4.339 4.320 -0.001 0.000 0.218 1089 A C 2.345 179.883 177.584 -0.077 0.000 1.154 1089 A CA 1.106 53.143 52.037 0.000 0.000 0.679 1089 A CB -0.815 18.182 19.000 -0.005 0.000 0.795 1089 A HN 0.552 nan 8.150 nan 0.000 0.458 1090 A N 0.459 123.237 122.820 -0.069 0.000 2.070 1090 A HA -0.143 4.176 4.320 -0.001 0.000 0.220 1090 A C 1.689 179.233 177.584 -0.067 0.000 1.159 1090 A CA 1.377 53.353 52.037 -0.102 0.000 0.656 1090 A CB -0.454 18.509 19.000 -0.062 0.000 0.800 1090 A HN 0.601 nan 8.150 nan 0.000 0.453 1091 N N -0.659 118.028 118.700 -0.022 0.000 2.412 1091 N HA 0.117 4.856 4.740 -0.001 0.000 0.184 1091 N C 1.187 176.688 175.510 -0.015 0.000 1.101 1091 N CA 0.677 53.724 53.050 -0.006 0.000 0.881 1091 N CB 0.224 38.734 38.487 0.038 0.000 0.969 1091 N HN 0.506 nan 8.380 nan 0.000 0.459 1092 L N -0.051 121.155 121.223 -0.028 0.000 2.526 1092 L HA 0.362 4.702 4.340 -0.001 0.000 0.210 1092 L C 0.904 177.731 176.870 -0.072 0.000 1.048 1092 L CA 0.287 55.108 54.840 -0.032 0.000 0.852 1092 L CB 0.124 42.183 42.059 0.001 0.000 1.128 1092 L HN -0.002 nan 8.230 nan 0.000 0.482 1093 I N -2.945 117.553 120.570 -0.119 0.000 3.108 1093 I HA 0.765 4.934 4.170 -0.001 0.000 0.312 1093 I C -0.275 175.706 176.117 -0.227 0.000 1.095 1093 I CA -1.207 59.995 61.300 -0.164 0.000 1.000 1093 I CB 1.816 39.701 38.000 -0.193 0.000 1.229 1093 I HN -0.177 nan 8.210 nan 0.000 0.454 1094 A N 4.404 127.089 122.820 -0.226 0.000 2.444 1094 A HA 0.577 4.896 4.320 -0.001 0.000 0.273 1094 A C -0.275 177.056 177.584 -0.421 0.000 1.136 1094 A CA -0.076 51.823 52.037 -0.230 0.000 0.799 1094 A CB -0.384 18.531 19.000 -0.142 0.000 1.081 1094 A HN 0.513 nan 8.150 nan 0.000 0.509 1095 I N 2.448 122.779 120.570 -0.398 0.000 2.474 1095 I HA 0.217 4.387 4.170 -0.001 0.000 0.294 1095 I C -0.293 175.711 176.117 -0.188 0.000 1.005 1095 I CA -0.637 60.340 61.300 -0.538 0.000 1.113 1095 I CB 1.782 39.491 38.000 -0.484 0.000 1.289 1095 I HN 0.605 nan 8.210 nan 0.000 0.436 1096 D N 3.585 123.970 120.400 -0.026 0.000 2.343 1096 D HA 0.070 4.710 4.640 -0.001 0.000 0.255 1096 D C 1.087 177.432 176.300 0.075 0.000 1.187 1096 D CA 0.474 54.513 54.000 0.066 0.000 0.875 1096 D CB 1.269 42.158 40.800 0.150 0.000 1.136 1096 D HN 0.452 nan 8.370 nan 0.000 0.469 1097 S N 2.871 118.597 115.700 0.044 0.000 2.383 1097 S HA -0.187 4.283 4.470 -0.001 0.000 0.229 1097 S C 1.702 176.347 174.600 0.076 0.000 1.030 1097 S CA 1.062 59.292 58.200 0.051 0.000 1.002 1097 S CB 0.005 63.223 63.200 0.030 0.000 0.829 1097 S HN 0.565 nan 8.310 nan 0.000 0.467 1098 Q N 0.108 119.953 119.800 0.074 0.000 2.096 1098 Q HA -0.109 4.230 4.340 -0.001 0.000 0.204 1098 Q C 2.271 178.334 176.000 0.105 0.000 0.982 1098 Q CA 1.516 57.364 55.803 0.076 0.000 0.850 1098 Q CB -0.365 28.410 28.738 0.061 0.000 0.901 1098 Q HN 0.461 nan 8.270 nan 0.000 0.422 1099 V N 0.901 120.903 119.914 0.147 0.000 2.270 1099 V HA -0.249 3.870 4.120 -0.001 0.000 0.245 1099 V C 2.311 178.559 176.094 0.256 0.000 1.043 1099 V CA 1.449 63.877 62.300 0.215 0.000 1.014 1099 V CB -0.614 31.391 31.823 0.305 0.000 0.645 1099 V HN 0.270 nan 8.190 nan 0.000 0.447 1100 L N 0.176 121.551 121.223 0.252 0.000 1.994 1100 L HA -0.162 4.178 4.340 -0.001 0.000 0.208 1100 L C 2.312 179.269 176.870 0.146 0.000 1.071 1100 L CA 2.284 57.261 54.840 0.228 0.000 0.745 1100 L CB -0.778 41.391 42.059 0.184 0.000 0.892 1100 L HN 0.399 nan 8.230 nan 0.000 0.431 1101 c N -0.060 118.608 118.600 0.113 0.000 2.456 1101 c HA 0.124 4.694 4.570 -0.001 0.000 0.279 1101 c C 2.694 176.844 174.090 0.101 0.000 1.427 1101 c CA 0.142 56.524 56.329 0.088 0.000 1.778 1101 c CB -1.934 40.615 42.510 0.066 0.000 1.842 1101 c HN 0.744 nan 8.230 nan 0.000 0.531 1102 G N 0.971 109.837 108.800 0.110 0.000 2.404 1102 G HA2 -0.004 3.956 3.960 -0.001 0.000 0.215 1102 G HA3 -0.004 3.956 3.960 -0.001 0.000 0.215 1102 G C 1.878 176.862 174.900 0.140 0.000 1.174 1102 G CA 0.967 46.129 45.100 0.105 0.000 0.780 1102 G HN 0.573 nan 8.290 nan 0.000 0.537 1103 A N 0.145 123.054 122.820 0.149 0.000 1.902 1103 A HA 0.078 4.397 4.320 -0.001 0.000 0.217 1103 A C 2.606 180.327 177.584 0.229 0.000 1.181 1103 A CA 1.785 53.933 52.037 0.185 0.000 0.623 1103 A CB -0.709 18.414 19.000 0.204 0.000 0.818 1103 A HN 0.245 nan 8.150 nan 0.000 0.443 1104 V N 0.126 120.129 119.914 0.147 0.000 2.287 1104 V HA -0.302 3.817 4.120 -0.001 0.000 0.248 1104 V C 2.566 178.742 176.094 0.136 0.000 1.053 1104 V CA 2.543 64.907 62.300 0.106 0.000 1.027 1104 V CB -0.634 31.225 31.823 0.061 0.000 0.646 1104 V HN 0.696 nan 8.190 nan 0.000 0.447 1105 K N -1.219 119.267 120.400 0.144 0.000 2.032 1105 K HA -0.279 4.041 4.320 -0.001 0.000 0.209 1105 K C 1.969 178.674 176.600 0.175 0.000 1.048 1105 K CA 2.216 58.582 56.287 0.133 0.000 0.927 1105 K CB -0.388 32.183 32.500 0.120 0.000 0.712 1105 K HN 0.566 nan 8.250 nan 0.000 0.441 1106 W N 1.371 122.693 121.300 0.038 0.000 2.335 1106 W HA -0.217 4.442 4.660 -0.001 0.000 0.311 1106 W C 1.375 177.935 176.519 0.068 0.000 1.213 1106 W CA 1.644 59.014 57.345 0.041 0.000 1.274 1106 W CB -0.307 29.170 29.460 0.029 0.000 1.148 1106 W HN 0.042 nan 8.180 nan 0.000 0.498 1107 L N 0.118 121.459 121.223 0.197 0.000 2.012 1107 L HA -0.270 4.069 4.340 -0.001 0.000 0.210 1107 L C 2.505 179.428 176.870 0.088 0.000 1.073 1107 L CA 1.781 56.630 54.840 0.016 0.000 0.748 1107 L CB -0.990 41.118 42.059 0.081 0.000 0.891 1107 L HN 0.035 nan 8.230 nan 0.000 0.431 1108 I N -0.634 120.011 120.570 0.126 0.000 2.142 1108 I HA -0.278 3.892 4.170 -0.001 0.000 0.240 1108 I C 2.129 178.231 176.117 -0.024 0.000 1.078 1108 I CA 1.051 62.415 61.300 0.107 0.000 1.343 1108 I CB -0.188 37.860 38.000 0.080 0.000 1.046 1108 I HN 0.222 nan 8.210 nan 0.000 0.405 1109 L N -0.201 120.993 121.223 -0.049 0.000 2.418 1109 L HA -0.045 4.294 4.340 -0.001 0.000 0.218 1109 L C 2.031 178.808 176.870 -0.155 0.000 1.125 1109 L CA 1.436 56.229 54.840 -0.079 0.000 0.835 1109 L CB -1.020 41.020 42.059 -0.031 0.000 0.953 1109 L HN 0.269 nan 8.230 nan 0.000 0.454 1110 E N -0.681 119.346 120.200 -0.289 0.000 2.332 1110 E HA 0.022 4.372 4.350 -0.001 0.000 0.202 1110 E C 1.416 177.769 176.600 -0.411 0.000 0.877 1110 E CA 0.284 56.431 56.400 -0.422 0.000 0.979 1110 E CB 0.524 29.733 29.700 -0.819 0.000 0.969 1110 E HN -0.067 nan 8.360 nan 0.000 0.495 1111 K N 0.143 120.305 120.400 -0.397 0.000 2.358 1111 K HA 0.221 4.541 4.320 -0.001 0.000 0.200 1111 K C -0.202 176.331 176.600 -0.111 0.000 1.030 1111 K CA -0.006 56.151 56.287 -0.217 0.000 1.097 1111 K CB 0.851 33.219 32.500 -0.219 0.000 0.862 1111 K HN 0.090 nan 8.250 nan 0.000 0.534 1112 Q N 1.248 120.882 119.800 -0.277 0.000 2.271 1112 Q HA 0.228 4.568 4.340 -0.001 0.000 0.258 1112 Q C -0.853 174.912 176.000 -0.391 0.000 0.936 1112 Q CA -0.331 55.099 55.803 -0.622 0.000 0.909 1112 Q CB 1.087 29.299 28.738 -0.876 0.000 1.253 1112 Q HN -0.091 nan 8.270 nan 0.000 0.440 1113 K N 3.774 123.945 120.400 -0.381 0.000 2.090 1113 K HA 0.204 4.524 4.320 -0.001 0.000 0.250 1113 K C -1.828 174.630 176.600 -0.238 0.000 1.004 1113 K CA -1.784 54.350 56.287 -0.254 0.000 0.919 1113 K CB 0.704 33.072 32.500 -0.220 0.000 1.045 1113 K HN 0.408 nan 8.250 nan 0.000 0.471 1114 P HA -0.197 nan 4.420 nan 0.000 0.220 1114 P C -0.035 177.197 177.300 -0.114 0.000 1.144 1114 P CA 1.296 64.322 63.100 -0.123 0.000 0.800 1114 P CB 0.069 31.719 31.700 -0.082 0.000 0.772 1115 D N -2.526 117.799 120.400 -0.125 0.000 2.340 1115 D HA 0.126 4.765 4.640 -0.001 0.000 0.220 1115 D C 1.454 177.683 176.300 -0.119 0.000 1.039 1115 D CA 0.532 54.489 54.000 -0.072 0.000 0.866 1115 D CB -0.820 39.974 40.800 -0.009 0.000 0.913 1115 D HN 0.225 nan 8.370 nan 0.000 0.523 1116 G N -0.544 108.108 108.800 -0.245 0.000 2.194 1116 G HA2 -0.264 3.695 3.960 -0.001 0.000 0.236 1116 G HA3 -0.264 3.695 3.960 -0.001 0.000 0.236 1116 G C 0.240 174.823 174.900 -0.528 0.000 0.987 1116 G CA 0.112 45.027 45.100 -0.309 0.000 0.635 1116 G HN 0.387 nan 8.290 nan 0.000 0.520 1117 V N 0.968 120.475 119.914 -0.679 0.000 2.811 1117 V HA 0.590 4.710 4.120 -0.001 0.000 0.302 1117 V C 0.540 176.309 176.094 -0.543 0.000 1.063 1117 V CA -0.027 61.829 62.300 -0.740 0.000 1.088 1117 V CB 0.958 32.300 31.823 -0.801 0.000 0.982 1117 V HN 0.197 nan 8.190 nan 0.000 0.485 1118 F N 2.394 122.220 119.950 -0.206 0.000 2.450 1118 F HA 0.516 5.043 4.527 -0.001 0.000 0.332 1118 F C 0.431 176.186 175.800 -0.074 0.000 1.093 1118 F CA -0.427 57.499 58.000 -0.122 0.000 1.003 1118 F CB 1.669 40.622 39.000 -0.078 0.000 1.151 1118 F HN 0.574 nan 8.300 nan 0.000 0.474 1119 Q N 1.316 121.193 119.800 0.128 0.000 2.345 1119 Q HA 0.529 4.868 4.340 -0.001 0.000 0.268 1119 Q C -1.421 174.668 176.000 0.148 0.000 1.054 1119 Q CA -1.142 54.723 55.803 0.103 0.000 0.835 1119 Q CB 2.556 31.313 28.738 0.031 0.000 1.339 1119 Q HN 0.522 nan 8.270 nan 0.000 0.447 1120 E N 1.510 121.820 120.200 0.182 0.000 2.081 1120 E HA 0.156 4.505 4.350 -0.001 0.000 0.276 1120 E C -0.854 175.847 176.600 0.167 0.000 0.950 1120 E CA -0.274 56.259 56.400 0.221 0.000 0.776 1120 E CB 0.952 30.837 29.700 0.308 0.000 1.094 1120 E HN 0.608 nan 8.360 nan 0.000 0.402 1121 D N 2.950 123.451 120.400 0.169 0.000 2.392 1121 D HA 0.164 4.803 4.640 -0.001 0.000 0.206 1121 D C 0.165 176.551 176.300 0.144 0.000 1.046 1121 D CA 0.397 54.480 54.000 0.137 0.000 0.865 1121 D CB 0.883 41.761 40.800 0.130 0.000 0.969 1121 D HN 0.452 nan 8.370 nan 0.000 0.509 1122 G N 2.047 110.954 108.800 0.178 0.000 4.040 1122 G HA2 0.399 4.358 3.960 -0.001 0.000 0.328 1122 G HA3 0.399 4.358 3.960 -0.001 0.000 0.328 1122 G C -2.900 172.089 174.900 0.149 0.000 1.503 1122 G CA -1.076 44.116 45.100 0.154 0.000 0.909 1122 G HN -0.192 nan 8.290 nan 0.000 0.495 1123 P HA 0.103 nan 4.420 nan 0.000 0.264 1123 P C 0.917 178.251 177.300 0.056 0.000 1.179 1123 P CA -0.078 63.068 63.100 0.077 0.000 0.763 1123 P CB 0.948 32.654 31.700 0.010 0.000 0.806 1124 V N 1.836 121.773 119.914 0.039 0.000 2.963 1124 V HA 0.085 4.204 4.120 -0.001 0.000 0.306 1124 V C 1.440 177.514 176.094 -0.035 0.000 1.077 1124 V CA 0.126 62.435 62.300 0.016 0.000 1.124 1124 V CB -0.109 31.707 31.823 -0.012 0.000 0.987 1124 V HN 0.447 nan 8.190 nan 0.000 0.487 1125 I N 1.029 121.587 120.570 -0.021 0.000 2.286 1125 I HA -0.046 4.123 4.170 -0.001 0.000 0.245 1125 I C 1.330 177.356 176.117 -0.151 0.000 1.104 1125 I CA 0.866 62.125 61.300 -0.068 0.000 1.397 1125 I CB -0.312 37.656 38.000 -0.054 0.000 1.072 1125 I HN 0.716 nan 8.210 nan 0.000 0.417 1126 H N 3.188 122.194 119.070 -0.107 0.000 3.092 1126 H HA 0.107 4.662 4.556 -0.001 0.000 0.263 1126 H C 0.717 175.911 175.328 -0.223 0.000 1.611 1126 H CA -0.047 55.921 56.048 -0.133 0.000 1.457 1126 H CB 0.505 30.187 29.762 -0.134 0.000 1.731 1126 H HN 0.345 nan 8.280 nan 0.000 0.532 1127 Q N 1.237 120.945 119.800 -0.154 0.000 2.437 1127 Q HA -0.115 4.225 4.340 -0.001 0.000 0.210 1127 Q C 1.800 177.653 176.000 -0.245 0.000 0.972 1127 Q CA 0.644 56.308 55.803 -0.232 0.000 0.903 1127 Q CB 0.290 28.913 28.738 -0.192 0.000 0.967 1127 Q HN 0.734 nan 8.270 nan 0.000 0.486 1128 E N 0.284 120.344 120.200 -0.233 0.000 2.435 1128 E HA -0.138 4.212 4.350 -0.001 0.000 0.195 1128 E C 1.643 178.068 176.600 -0.292 0.000 1.029 1128 E CA 0.475 56.682 56.400 -0.322 0.000 0.865 1128 E CB -0.246 28.982 29.700 -0.786 0.000 0.833 1128 E HN 0.493 nan 8.360 nan 0.000 0.510 1129 M N 0.218 119.642 119.600 -0.293 0.000 2.502 1129 M HA 0.236 4.715 4.480 -0.001 0.000 0.243 1129 M C 1.829 177.867 176.300 -0.436 0.000 1.130 1129 M CA 0.465 55.596 55.300 -0.281 0.000 1.055 1129 M CB -0.255 32.207 32.600 -0.230 0.000 1.457 1129 M HN 0.090 nan 8.290 nan 0.000 0.488 1130 I N -1.912 118.267 120.570 -0.651 0.000 3.875 1130 I HA 0.524 4.693 4.170 -0.001 0.000 0.329 1130 I C 0.917 176.819 176.117 -0.359 0.000 1.295 1130 I CA 0.159 60.904 61.300 -0.926 0.000 1.129 1130 I CB -0.860 36.319 38.000 -1.369 0.000 1.008 1130 I HN 0.453 nan 8.210 nan 0.000 0.413 1131 G N 1.906 110.597 108.800 -0.181 0.000 2.566 1131 G HA2 -0.368 3.592 3.960 -0.001 0.000 0.280 1131 G HA3 -0.368 3.592 3.960 -0.001 0.000 0.280 1131 G C 0.841 175.357 174.900 -0.640 0.000 1.225 1131 G CA 0.202 45.240 45.100 -0.103 0.000 0.966 1131 G HN 0.568 nan 8.290 nan 0.000 0.560 1132 G N -0.814 107.291 108.800 -1.157 0.000 2.479 1132 G HA2 0.014 3.973 3.960 -0.001 0.000 0.220 1132 G HA3 0.014 3.973 3.960 -0.001 0.000 0.220 1132 G C 1.608 175.706 174.900 -1.338 0.000 1.115 1132 G CA 1.647 45.345 45.100 -2.337 0.000 0.757 1132 G HN 0.961 nan 8.290 nan 0.000 0.560 1133 F N 1.501 120.969 119.950 -0.803 0.000 2.307 1133 F HA -0.009 4.517 4.527 -0.001 0.000 0.301 1133 F C 2.407 177.958 175.800 -0.414 0.000 1.076 1133 F CA 0.984 58.728 58.000 -0.426 0.000 1.383 1133 F CB -0.184 38.601 39.000 -0.358 0.000 1.055 1133 F HN 0.136 nan 8.300 nan 0.000 0.526 1134 R N 0.650 120.817 120.500 -0.554 0.000 2.105 1134 R HA -0.198 4.141 4.340 -0.001 0.000 0.239 1134 R C 0.666 176.758 176.300 -0.347 0.000 1.135 1134 R CA 1.047 56.874 56.100 -0.455 0.000 0.967 1134 R CB -0.612 29.561 30.300 -0.212 0.000 0.861 1134 R HN 0.195 nan 8.270 nan 0.000 0.442 1135 N N 0.874 119.398 118.700 -0.293 0.000 2.416 1135 N HA -0.058 4.682 4.740 -0.001 0.000 0.265 1135 N C 0.333 175.730 175.510 -0.189 0.000 1.195 1135 N CA 0.553 53.513 53.050 -0.150 0.000 0.943 1135 N CB 1.498 39.947 38.487 -0.063 0.000 1.115 1135 N HN 0.176 nan 8.380 nan 0.000 0.481 1136 T N 0.735 115.190 114.554 -0.165 0.000 3.051 1136 T HA -0.111 4.239 4.350 -0.001 0.000 0.269 1136 T C 0.894 175.570 174.700 -0.040 0.000 1.127 1136 T CA 0.550 62.563 62.100 -0.144 0.000 1.107 1136 T CB 0.017 68.810 68.868 -0.125 0.000 0.898 1136 T HN 0.452 nan 8.240 nan 0.000 0.517 1137 K N 1.936 122.328 120.400 -0.014 0.000 2.436 1137 K HA -0.031 4.289 4.320 -0.001 0.000 0.282 1137 K C -0.146 176.498 176.600 0.073 0.000 1.044 1137 K CA 0.388 56.693 56.287 0.030 0.000 1.028 1137 K CB -0.080 32.440 32.500 0.034 0.000 0.919 1137 K HN 0.406 nan 8.250 nan 0.000 0.474 1138 E N 1.448 121.702 120.200 0.090 0.000 2.513 1138 E HA -0.286 4.063 4.350 -0.001 0.000 0.257 1138 E C 0.434 177.147 176.600 0.188 0.000 1.098 1138 E CA 0.456 56.933 56.400 0.129 0.000 0.752 1138 E CB -1.196 28.579 29.700 0.124 0.000 1.324 1138 E HN 0.774 nan 8.360 nan 0.000 0.403 1139 A N -0.059 122.873 122.820 0.186 0.000 2.067 1139 A HA -0.195 4.125 4.320 -0.001 0.000 0.219 1139 A C 1.685 179.480 177.584 0.352 0.000 1.158 1139 A CA 1.695 53.917 52.037 0.309 0.000 0.661 1139 A CB 0.012 19.130 19.000 0.198 0.000 0.801 1139 A HN 0.256 nan 8.150 nan 0.000 0.452 1140 D N -0.758 119.799 120.400 0.262 0.000 2.117 1140 D HA -0.119 4.521 4.640 -0.001 0.000 0.197 1140 D C 2.002 178.486 176.300 0.308 0.000 0.987 1140 D CA 1.511 55.665 54.000 0.256 0.000 0.829 1140 D CB -0.224 40.731 40.800 0.258 0.000 0.961 1140 D HN 0.236 nan 8.370 nan 0.000 0.460 1141 V N -0.500 119.604 119.914 0.318 0.000 2.548 1141 V HA -0.133 3.986 4.120 -0.001 0.000 0.249 1141 V C 2.056 178.282 176.094 0.219 0.000 1.055 1141 V CA 1.807 64.281 62.300 0.290 0.000 1.065 1141 V CB -0.150 31.791 31.823 0.196 0.000 0.681 1141 V HN 0.044 nan 8.190 nan 0.000 0.462 1142 S N 0.180 116.028 115.700 0.246 0.000 2.348 1142 S HA -0.130 4.340 4.470 -0.001 0.000 0.221 1142 S C 1.746 176.403 174.600 0.095 0.000 1.033 1142 S CA 2.005 60.354 58.200 0.249 0.000 1.010 1142 S CB -0.437 63.036 63.200 0.456 0.000 0.891 1142 S HN 0.577 nan 8.310 nan 0.000 0.442 1143 L N 1.555 122.787 121.223 0.016 0.000 2.056 1143 L HA -0.061 4.279 4.340 -0.001 0.000 0.207 1143 L C 2.283 179.188 176.870 0.058 0.000 1.078 1143 L CA 1.880 56.627 54.840 -0.155 0.000 0.749 1143 L CB -1.313 40.690 42.059 -0.093 0.000 0.901 1143 L HN 0.226 nan 8.230 nan 0.000 0.433 1144 T N -0.195 114.456 114.554 0.161 0.000 2.746 1144 T HA -0.158 4.191 4.350 -0.001 0.000 0.267 1144 T C 1.879 176.665 174.700 0.143 0.000 1.039 1144 T CA 1.347 63.597 62.100 0.251 0.000 1.142 1144 T CB -0.469 68.554 68.868 0.259 0.000 0.866 1144 T HN 0.525 nan 8.240 nan 0.000 0.444 1145 A N 0.892 123.765 122.820 0.087 0.000 1.873 1145 A HA 0.025 4.344 4.320 -0.001 0.000 0.215 1145 A C 2.010 179.553 177.584 -0.067 0.000 1.186 1145 A CA 1.201 53.230 52.037 -0.015 0.000 0.616 1145 A CB -0.957 18.012 19.000 -0.050 0.000 0.823 1145 A HN 0.481 nan 8.150 nan 0.000 0.442 1146 F N 0.810 120.654 119.950 -0.175 0.000 2.095 1146 F HA -0.179 4.347 4.527 -0.001 0.000 0.298 1146 F C 2.222 177.872 175.800 -0.251 0.000 1.104 1146 F CA 2.150 60.036 58.000 -0.190 0.000 1.232 1146 F CB -0.292 38.605 39.000 -0.171 0.000 0.987 1146 F HN 0.031 nan 8.300 nan 0.000 0.475 1147 V N 0.461 120.246 119.914 -0.214 0.000 2.358 1147 V HA -0.255 3.865 4.120 -0.001 0.000 0.246 1147 V C 2.333 178.147 176.094 -0.467 0.000 1.047 1147 V CA 1.582 63.576 62.300 -0.511 0.000 1.035 1147 V CB -0.862 30.401 31.823 -0.933 0.000 0.658 1147 V HN 0.452 nan 8.190 nan 0.000 0.452 1148 L N 0.331 121.394 121.223 -0.266 0.000 2.042 1148 L HA -0.158 4.181 4.340 -0.001 0.000 0.210 1148 L C 2.163 178.907 176.870 -0.210 0.000 1.076 1148 L CA 1.921 56.674 54.840 -0.145 0.000 0.749 1148 L CB -0.776 41.254 42.059 -0.048 0.000 0.893 1148 L HN 0.252 nan 8.230 nan 0.000 0.432 1149 I N -0.266 120.150 120.570 -0.256 0.000 2.226 1149 I HA -0.279 3.890 4.170 -0.001 0.000 0.245 1149 I C 2.594 178.559 176.117 -0.254 0.000 1.100 1149 I CA 1.241 62.398 61.300 -0.238 0.000 1.374 1149 I CB -0.655 37.251 38.000 -0.157 0.000 1.057 1149 I HN 0.359 nan 8.210 nan 0.000 0.413 1150 A N 0.816 123.393 122.820 -0.406 0.000 1.933 1150 A HA -0.127 4.192 4.320 -0.001 0.000 0.218 1150 A C 2.298 179.729 177.584 -0.255 0.000 1.175 1150 A CA 1.299 53.096 52.037 -0.400 0.000 0.628 1150 A CB -0.776 17.870 19.000 -0.590 0.000 0.814 1150 A HN 0.378 nan 8.150 nan 0.000 0.444 1151 L N -1.059 120.021 121.223 -0.238 0.000 2.093 1151 L HA -0.199 4.140 4.340 -0.001 0.000 0.208 1151 L C 2.922 179.730 176.870 -0.104 0.000 1.085 1151 L CA 1.164 55.917 54.840 -0.146 0.000 0.755 1151 L CB -0.536 41.452 42.059 -0.118 0.000 0.904 1151 L HN 0.394 nan 8.230 nan 0.000 0.435 1152 Q N 0.470 120.197 119.800 -0.121 0.000 2.050 1152 Q HA -0.243 4.097 4.340 -0.001 0.000 0.202 1152 Q C 2.054 178.011 176.000 -0.072 0.000 0.980 1152 Q CA 1.718 57.461 55.803 -0.099 0.000 0.840 1152 Q CB -0.110 28.545 28.738 -0.139 0.000 0.898 1152 Q HN 0.516 nan 8.270 nan 0.000 0.424 1153 E N -0.392 119.762 120.200 -0.075 0.000 2.265 1153 E HA -0.112 4.238 4.350 -0.001 0.000 0.196 1153 E C 1.264 177.844 176.600 -0.033 0.000 0.996 1153 E CA 0.827 57.203 56.400 -0.039 0.000 0.832 1153 E CB 0.053 29.732 29.700 -0.036 0.000 0.756 1153 E HN 0.310 nan 8.360 nan 0.000 0.491 1154 A N 0.093 122.883 122.820 -0.049 0.000 2.275 1154 A HA 0.097 4.417 4.320 -0.001 0.000 0.212 1154 A C 1.643 179.218 177.584 -0.014 0.000 1.201 1154 A CA -0.118 51.903 52.037 -0.027 0.000 0.843 1154 A CB 0.084 19.064 19.000 -0.034 0.000 0.873 1154 A HN 0.029 nan 8.150 nan 0.000 0.492 1155 R N 0.288 120.776 120.500 -0.021 0.000 2.073 1155 R HA -0.145 4.195 4.340 -0.001 0.000 0.234 1155 R C 1.224 177.521 176.300 -0.006 0.000 1.134 1155 R CA 1.651 57.743 56.100 -0.014 0.000 0.952 1155 R CB -0.268 30.019 30.300 -0.022 0.000 0.850 1155 R HN 0.406 nan 8.270 nan 0.000 0.433 1156 D N 0.280 120.678 120.400 -0.004 0.000 2.170 1156 D HA -0.201 4.439 4.640 -0.001 0.000 0.193 1156 D C 1.742 178.043 176.300 0.002 0.000 1.004 1156 D CA 1.463 55.464 54.000 0.001 0.000 0.860 1156 D CB -0.032 40.771 40.800 0.005 0.000 0.931 1156 D HN 0.309 nan 8.370 nan 0.000 0.448 1157 I N -0.803 119.770 120.570 0.005 0.000 2.927 1157 I HA -0.071 4.098 4.170 -0.001 0.000 0.268 1157 I C 1.844 177.968 176.117 0.013 0.000 1.153 1157 I CA 0.255 61.560 61.300 0.008 0.000 1.459 1157 I CB 0.465 38.471 38.000 0.011 0.000 1.149 1157 I HN 0.004 nan 8.210 nan 0.000 0.443 1158 c N 0.027 118.635 118.600 0.014 0.000 2.674 1158 c HA 0.046 4.616 4.570 -0.001 0.000 0.276 1158 c C 2.507 176.606 174.090 0.014 0.000 1.300 1158 c CA -0.189 56.151 56.329 0.019 0.000 1.732 1158 c CB -0.435 42.090 42.510 0.025 0.000 2.076 1158 c HN 0.458 nan 8.230 nan 0.000 0.548 1159 E N 1.477 121.681 120.200 0.007 0.000 2.130 1159 E HA -0.177 4.173 4.350 -0.001 0.000 0.196 1159 E C 2.229 178.832 176.600 0.006 0.000 0.998 1159 E CA 1.520 57.922 56.400 0.004 0.000 0.806 1159 E CB -0.238 29.461 29.700 -0.002 0.000 0.738 1159 E HN 0.691 nan 8.360 nan 0.000 0.459 1160 G N 0.136 108.940 108.800 0.006 0.000 2.422 1160 G HA2 -0.251 3.708 3.960 -0.001 0.000 0.218 1160 G HA3 -0.251 3.708 3.960 -0.001 0.000 0.218 1160 G C 1.339 176.245 174.900 0.010 0.000 1.140 1160 G CA 0.486 45.590 45.100 0.006 0.000 0.775 1160 G HN 0.282 nan 8.290 nan 0.000 0.545 1161 Q N -0.681 119.128 119.800 0.015 0.000 2.302 1161 Q HA 0.144 4.484 4.340 -0.001 0.000 0.202 1161 Q C 0.066 176.079 176.000 0.022 0.000 0.936 1161 Q CA 0.402 56.217 55.803 0.019 0.000 0.886 1161 Q CB 0.873 29.626 28.738 0.025 0.000 0.986 1161 Q HN 0.322 nan 8.270 nan 0.000 0.487 1162 V N 1.883 121.810 119.914 0.021 0.000 2.315 1162 V HA 0.136 4.256 4.120 -0.001 0.000 0.265 1162 V C 0.241 176.344 176.094 0.015 0.000 1.019 1162 V CA -0.348 61.966 62.300 0.023 0.000 0.824 1162 V CB 0.715 32.557 31.823 0.032 0.000 1.072 1162 V HN 0.272 nan 8.190 nan 0.000 0.448 1163 N N 1.722 120.429 118.700 0.011 0.000 2.573 1163 N HA -0.130 4.609 4.740 -0.001 0.000 0.187 1163 N C 1.904 177.416 175.510 0.003 0.000 1.107 1163 N CA 1.046 54.099 53.050 0.005 0.000 0.918 1163 N CB 0.275 38.764 38.487 0.003 0.000 0.966 1163 N HN 0.727 nan 8.380 nan 0.000 0.448 1164 S N 0.078 115.782 115.700 0.007 0.000 2.558 1164 S HA 0.018 4.487 4.470 -0.001 0.000 0.217 1164 S C 1.755 176.359 174.600 0.007 0.000 0.975 1164 S CA -0.151 58.051 58.200 0.003 0.000 0.912 1164 S CB -0.002 63.200 63.200 0.003 0.000 0.776 1164 S HN 0.131 nan 8.310 nan 0.000 0.526 1165 L N 3.045 124.274 121.223 0.012 0.000 1.989 1165 L HA 0.111 4.451 4.340 -0.001 0.000 0.211 1165 L C -1.076 175.798 176.870 0.006 0.000 1.071 1165 L CA 1.897 56.745 54.840 0.015 0.000 0.749 1165 L CB -1.569 40.496 42.059 0.011 0.000 0.890 1165 L HN 0.172 nan 8.230 nan 0.000 0.431 1166 P HA -0.097 nan 4.420 nan 0.000 0.216 1166 P C 1.624 178.916 177.300 -0.013 0.000 1.150 1166 P CA 1.750 64.843 63.100 -0.012 0.000 0.837 1166 P CB -0.373 31.319 31.700 -0.014 0.000 0.786 1167 G N -0.505 108.287 108.800 -0.012 0.000 2.404 1167 G HA2 -0.261 3.699 3.960 -0.001 0.000 0.215 1167 G HA3 -0.261 3.699 3.960 -0.001 0.000 0.215 1167 G C 1.856 176.742 174.900 -0.023 0.000 1.174 1167 G CA 1.126 46.214 45.100 -0.020 0.000 0.780 1167 G HN 0.355 nan 8.290 nan 0.000 0.537 1168 S N 0.317 116.010 115.700 -0.012 0.000 2.370 1168 S HA -0.084 4.386 4.470 -0.001 0.000 0.226 1168 S C 2.418 177.032 174.600 0.023 0.000 1.033 1168 S CA 1.233 59.428 58.200 -0.008 0.000 1.011 1168 S CB -0.305 62.925 63.200 0.050 0.000 0.852 1168 S HN 0.357 nan 8.310 nan 0.000 0.457 1169 I N 2.982 123.571 120.570 0.033 0.000 2.179 1169 I HA -0.205 3.964 4.170 -0.001 0.000 0.242 1169 I C 2.726 178.839 176.117 -0.007 0.000 1.088 1169 I CA 1.567 62.882 61.300 0.025 0.000 1.357 1169 I CB -0.658 37.336 38.000 -0.010 0.000 1.051 1169 I HN 0.586 nan 8.210 nan 0.000 0.409 1170 N N 1.223 119.910 118.700 -0.022 0.000 2.166 1170 N HA -0.233 4.506 4.740 -0.001 0.000 0.186 1170 N C 1.780 177.272 175.510 -0.030 0.000 1.019 1170 N CA 1.364 54.395 53.050 -0.032 0.000 0.856 1170 N CB -0.086 38.383 38.487 -0.031 0.000 0.993 1170 N HN 0.151 nan 8.380 nan 0.000 0.426 1171 K N 1.058 121.437 120.400 -0.034 0.000 2.103 1171 K HA 0.125 4.444 4.320 -0.001 0.000 0.204 1171 K C 2.108 178.693 176.600 -0.025 0.000 1.052 1171 K CA 1.065 57.326 56.287 -0.043 0.000 0.945 1171 K CB -0.829 31.621 32.500 -0.083 0.000 0.722 1171 K HN 0.346 nan 8.250 nan 0.000 0.443 1172 A N 0.528 123.336 122.820 -0.020 0.000 1.877 1172 A HA -0.095 4.224 4.320 -0.001 0.000 0.216 1172 A C 2.431 180.055 177.584 0.066 0.000 1.186 1172 A CA 2.198 54.259 52.037 0.039 0.000 0.620 1172 A CB -1.193 17.896 19.000 0.149 0.000 0.822 1172 A HN 0.367 nan 8.150 nan 0.000 0.443 1173 G N -0.533 108.268 108.800 0.001 0.000 2.442 1173 G HA2 -0.235 3.724 3.960 -0.001 0.000 0.219 1173 G HA3 -0.235 3.724 3.960 -0.001 0.000 0.219 1173 G C 1.424 176.282 174.900 -0.070 0.000 1.141 1173 G CA 1.076 46.142 45.100 -0.058 0.000 0.763 1173 G HN 0.680 nan 8.290 nan 0.000 0.554 1174 E N -0.774 119.407 120.200 -0.032 0.000 2.072 1174 E HA -0.135 4.214 4.350 -0.001 0.000 0.191 1174 E C 2.077 178.672 176.600 -0.009 0.000 0.985 1174 E CA 0.858 57.237 56.400 -0.035 0.000 0.801 1174 E CB -0.261 29.434 29.700 -0.009 0.000 0.750 1174 E HN 0.562 nan 8.360 nan 0.000 0.452 1175 Y N 1.724 121.984 120.300 -0.067 0.000 2.128 1175 Y HA -0.235 4.314 4.550 -0.001 0.000 0.284 1175 Y C 1.924 177.800 175.900 -0.039 0.000 1.154 1175 Y CA 1.470 59.543 58.100 -0.045 0.000 1.149 1175 Y CB -0.217 38.218 38.460 -0.043 0.000 0.976 1175 Y HN -0.056 nan 8.280 nan 0.000 0.505 1176 L N -0.069 121.144 121.223 -0.017 0.000 2.046 1176 L HA -0.231 4.109 4.340 -0.001 0.000 0.208 1176 L C 2.541 179.289 176.870 -0.203 0.000 1.077 1176 L CA 1.954 56.736 54.840 -0.097 0.000 0.747 1176 L CB -0.704 41.319 42.059 -0.059 0.000 0.896 1176 L HN 0.281 nan 8.230 nan 0.000 0.432 1177 E N 0.283 120.314 120.200 -0.282 0.000 2.058 1177 E HA -0.246 4.104 4.350 -0.001 0.000 0.194 1177 E C 2.218 178.680 176.600 -0.229 0.000 0.997 1177 E CA 1.235 57.363 56.400 -0.453 0.000 0.801 1177 E CB -0.042 29.430 29.700 -0.379 0.000 0.746 1177 E HN 0.468 nan 8.360 nan 0.000 0.450 1178 A N 0.210 122.933 122.820 -0.161 0.000 2.070 1178 A HA -0.129 4.191 4.320 -0.001 0.000 0.220 1178 A C 1.994 179.504 177.584 -0.122 0.000 1.159 1178 A CA 1.751 53.723 52.037 -0.108 0.000 0.656 1178 A CB -0.083 18.842 19.000 -0.126 0.000 0.800 1178 A HN 0.311 nan 8.150 nan 0.000 0.453 1179 S N -2.845 112.743 115.700 -0.187 0.000 2.603 1179 S HA 0.168 4.638 4.470 -0.001 0.000 0.232 1179 S C 1.262 175.859 174.600 -0.005 0.000 1.016 1179 S CA -0.049 58.067 58.200 -0.140 0.000 0.976 1179 S CB -0.485 62.536 63.200 -0.299 0.000 0.921 1179 S HN 0.459 nan 8.310 nan 0.000 0.516 1180 Y N 2.989 123.224 120.300 -0.107 0.000 2.070 1180 Y HA -0.087 4.463 4.550 -0.001 0.000 0.280 1180 Y C 1.908 177.855 175.900 0.078 0.000 1.148 1180 Y CA 1.354 59.437 58.100 -0.029 0.000 1.125 1180 Y CB -0.503 37.893 38.460 -0.106 0.000 0.975 1180 Y HN 0.171 nan 8.280 nan 0.000 0.492 1181 L N 0.394 121.737 121.223 0.201 0.000 2.127 1181 L HA -0.270 4.070 4.340 -0.001 0.000 0.211 1181 L C 1.659 178.533 176.870 0.006 0.000 1.089 1181 L CA 1.819 56.723 54.840 0.106 0.000 0.757 1181 L CB -1.544 40.614 42.059 0.163 0.000 0.899 1181 L HN 0.350 nan 8.230 nan 0.000 0.434 1182 N N -1.206 117.497 118.700 0.005 0.000 2.461 1182 N HA 0.033 4.772 4.740 -0.001 0.000 0.188 1182 N C 0.241 175.734 175.510 -0.028 0.000 1.134 1182 N CA -0.271 52.773 53.050 -0.009 0.000 0.878 1182 N CB 0.107 38.593 38.487 -0.002 0.000 0.972 1182 N HN 0.230 nan 8.380 nan 0.000 0.456 1183 L N 1.081 122.265 121.223 -0.065 0.000 2.485 1183 L HA -0.006 4.333 4.340 -0.001 0.000 0.275 1183 L C 1.311 178.158 176.870 -0.039 0.000 1.207 1183 L CA 0.061 54.867 54.840 -0.058 0.000 0.855 1183 L CB 0.658 42.647 42.059 -0.116 0.000 1.114 1183 L HN 0.184 nan 8.230 nan 0.000 0.485 1184 Q N 1.638 121.438 119.800 -0.001 0.000 2.402 1184 Q HA 0.174 4.514 4.340 -0.001 0.000 0.231 1184 Q C 0.323 176.342 176.000 0.032 0.000 0.888 1184 Q CA 0.438 56.246 55.803 0.009 0.000 0.938 1184 Q CB 0.511 29.259 28.738 0.016 0.000 1.086 1184 Q HN 0.511 nan 8.270 nan 0.000 0.543 1185 R N 1.857 122.395 120.500 0.063 0.000 2.347 1185 R HA 0.098 4.438 4.340 -0.001 0.000 0.304 1185 R C -1.688 174.702 176.300 0.150 0.000 1.072 1185 R CA -1.458 54.712 56.100 0.117 0.000 0.980 1185 R CB 0.678 31.075 30.300 0.163 0.000 0.986 1185 R HN -0.070 nan 8.270 nan 0.000 0.448 1186 P HA -0.187 nan 4.420 nan 0.000 0.218 1186 P C 0.741 178.242 177.300 0.334 0.000 1.149 1186 P CA 1.029 64.269 63.100 0.232 0.000 0.817 1186 P CB -0.004 31.794 31.700 0.163 0.000 0.785 1187 Y N 0.287 120.707 120.300 0.200 0.000 2.145 1187 Y HA -0.194 4.356 4.550 -0.001 0.000 0.286 1187 Y C 2.168 178.161 175.900 0.154 0.000 1.145 1187 Y CA 2.048 60.262 58.100 0.190 0.000 1.148 1187 Y CB -1.086 37.457 38.460 0.138 0.000 0.981 1187 Y HN -0.141 nan 8.280 nan 0.000 0.507 1188 T N -0.320 114.360 114.554 0.209 0.000 2.821 1188 T HA -0.139 4.211 4.350 -0.001 0.000 0.267 1188 T C 1.987 176.727 174.700 0.068 0.000 1.046 1188 T CA 1.472 63.637 62.100 0.108 0.000 1.139 1188 T CB -0.534 68.443 68.868 0.181 0.000 0.871 1188 T HN 0.216 nan 8.240 nan 0.000 0.454 1189 V N 1.420 121.401 119.914 0.111 0.000 2.515 1189 V HA -0.114 4.005 4.120 -0.001 0.000 0.250 1189 V C 2.727 179.013 176.094 0.320 0.000 1.058 1189 V CA 1.574 63.968 62.300 0.156 0.000 1.064 1189 V CB -0.984 30.928 31.823 0.150 0.000 0.675 1189 V HN 0.501 nan 8.190 nan 0.000 0.461 1190 A N -0.182 122.720 122.820 0.136 0.000 1.854 1190 A HA -0.141 4.178 4.320 -0.001 0.000 0.214 1190 A C 2.226 179.769 177.584 -0.069 0.000 1.192 1190 A CA 1.837 53.843 52.037 -0.051 0.000 0.611 1190 A CB -0.493 18.379 19.000 -0.213 0.000 0.832 1190 A HN 0.456 nan 8.150 nan 0.000 0.442 1191 I N -0.533 119.867 120.570 -0.285 0.000 2.252 1191 I HA -0.202 3.967 4.170 -0.001 0.000 0.245 1191 I C 2.583 178.554 176.117 -0.244 0.000 1.102 1191 I CA 1.347 62.337 61.300 -0.516 0.000 1.385 1191 I CB -0.093 37.447 38.000 -0.767 0.000 1.064 1191 I HN 0.315 nan 8.210 nan 0.000 0.414 1192 A N 0.318 123.101 122.820 -0.062 0.000 2.014 1192 A HA -0.028 4.291 4.320 -0.001 0.000 0.218 1192 A C 2.284 179.823 177.584 -0.074 0.000 1.163 1192 A CA 1.319 53.361 52.037 0.008 0.000 0.652 1192 A CB -1.313 17.813 19.000 0.210 0.000 0.808 1192 A HN 0.526 nan 8.150 nan 0.000 0.449 1193 G N -1.230 107.599 108.800 0.049 0.000 2.433 1193 G HA2 -0.279 3.680 3.960 -0.001 0.000 0.216 1193 G HA3 -0.279 3.680 3.960 -0.001 0.000 0.216 1193 G C 1.542 176.230 174.900 -0.353 0.000 1.186 1193 G CA 1.264 46.228 45.100 -0.226 0.000 0.779 1193 G HN 0.516 nan 8.290 nan 0.000 0.543 1194 Y N 2.238 122.343 120.300 -0.325 0.000 2.128 1194 Y HA -0.037 4.512 4.550 -0.001 0.000 0.284 1194 Y C 2.901 178.668 175.900 -0.220 0.000 1.154 1194 Y CA 1.099 59.052 58.100 -0.245 0.000 1.149 1194 Y CB -0.719 37.689 38.460 -0.086 0.000 0.976 1194 Y HN 0.251 nan 8.280 nan 0.000 0.505 1195 A N -0.290 122.319 122.820 -0.351 0.000 1.933 1195 A HA -0.160 4.160 4.320 -0.001 0.000 0.218 1195 A C 2.136 179.505 177.584 -0.357 0.000 1.175 1195 A CA 1.760 53.562 52.037 -0.392 0.000 0.628 1195 A CB -1.034 17.817 19.000 -0.250 0.000 0.814 1195 A HN 0.439 nan 8.150 nan 0.000 0.444 1196 L N -0.624 120.380 121.223 -0.364 0.000 2.093 1196 L HA -0.032 4.307 4.340 -0.001 0.000 0.208 1196 L C 2.899 179.578 176.870 -0.319 0.000 1.085 1196 L CA 1.692 56.306 54.840 -0.376 0.000 0.755 1196 L CB -1.171 40.562 42.059 -0.542 0.000 0.904 1196 L HN 0.404 nan 8.230 nan 0.000 0.435 1197 A N -0.992 121.625 122.820 -0.337 0.000 1.930 1197 A HA -0.146 4.174 4.320 -0.001 0.000 0.217 1197 A C 2.284 179.721 177.584 -0.245 0.000 1.175 1197 A CA 1.320 53.200 52.037 -0.262 0.000 0.627 1197 A CB -0.652 18.213 19.000 -0.225 0.000 0.815 1197 A HN 0.386 nan 8.150 nan 0.000 0.443 1198 L N -1.881 119.128 121.223 -0.356 0.000 2.201 1198 L HA -0.101 4.239 4.340 -0.001 0.000 0.212 1198 L C 2.459 179.202 176.870 -0.212 0.000 1.105 1198 L CA 1.029 55.678 54.840 -0.318 0.000 0.775 1198 L CB -0.249 41.536 42.059 -0.457 0.000 0.913 1198 L HN 0.355 nan 8.230 nan 0.000 0.440 1199 M N -0.591 118.881 119.600 -0.213 0.000 2.556 1199 M HA 0.032 4.512 4.480 -0.001 0.000 0.245 1199 M C 0.629 176.854 176.300 -0.126 0.000 1.128 1199 M CA 0.461 55.666 55.300 -0.158 0.000 1.069 1199 M CB -0.198 32.299 32.600 -0.173 0.000 1.469 1199 M HN 0.124 nan 8.290 nan 0.000 0.494 1200 N N -0.122 118.500 118.700 -0.130 0.000 2.741 1200 N HA -0.220 4.520 4.740 -0.001 0.000 0.251 1200 N C 0.098 175.560 175.510 -0.080 0.000 1.112 1200 N CA 0.926 53.921 53.050 -0.092 0.000 0.750 1200 N CB -1.032 37.416 38.487 -0.064 0.000 1.119 1200 N HN 0.477 nan 8.380 nan 0.000 0.561 1201 K N -0.221 120.111 120.400 -0.114 0.000 2.358 1201 K HA 0.164 4.483 4.320 -0.001 0.000 0.197 1201 K C 0.575 177.138 176.600 -0.062 0.000 1.025 1201 K CA -0.320 55.916 56.287 -0.085 0.000 1.104 1201 K CB 0.456 32.868 32.500 -0.145 0.000 0.855 1201 K HN -0.022 nan 8.250 nan 0.000 0.531 1202 L N 3.549 124.696 121.223 -0.127 0.000 2.376 1202 L HA 0.036 4.376 4.340 -0.001 0.000 0.250 1202 L C -0.007 176.859 176.870 -0.006 0.000 1.335 1202 L CA 0.457 55.222 54.840 -0.125 0.000 1.214 1202 L CB -0.996 40.903 42.059 -0.266 0.000 1.395 1202 L HN 0.120 nan 8.230 nan 0.000 0.424 1203 E N -0.497 119.758 120.200 0.090 0.000 2.450 1203 E HA 0.336 4.685 4.350 -0.001 0.000 0.248 1203 E C 0.235 176.844 176.600 0.015 0.000 0.930 1203 E CA -0.890 55.539 56.400 0.048 0.000 0.854 1203 E CB 0.384 30.100 29.700 0.025 0.000 1.355 1203 E HN -0.062 nan 8.360 nan 0.000 0.402 1204 E N 0.375 120.562 120.200 -0.022 0.000 2.786 1204 E HA -0.261 4.089 4.350 -0.001 0.000 0.237 1204 E C -0.804 175.734 176.600 -0.103 0.000 0.950 1204 E CA 2.935 59.302 56.400 -0.055 0.000 1.380 1204 E CB -2.069 27.588 29.700 -0.071 0.000 1.351 1204 E HN 0.485 nan 8.360 nan 0.000 0.484 1205 P HA -0.112 nan 4.420 nan 0.000 0.213 1205 P C 1.506 178.734 177.300 -0.121 0.000 1.170 1205 P CA 1.780 64.703 63.100 -0.294 0.000 0.893 1205 P CB -0.384 30.985 31.700 -0.552 0.000 0.784 1206 Y N -0.925 119.468 120.300 0.155 0.000 2.256 1206 Y HA -0.147 4.403 4.550 -0.001 0.000 0.288 1206 Y C 2.392 178.485 175.900 0.321 0.000 1.155 1206 Y CA -0.140 58.129 58.100 0.282 0.000 1.203 1206 Y CB -1.185 37.264 38.460 -0.017 0.000 0.980 1206 Y HN -0.107 nan 8.280 nan 0.000 0.530 1207 L N 0.587 121.979 121.223 0.281 0.000 1.994 1207 L HA -0.196 4.144 4.340 -0.001 0.000 0.208 1207 L C 2.670 179.740 176.870 0.332 0.000 1.071 1207 L CA 2.624 57.635 54.840 0.285 0.000 0.745 1207 L CB -1.288 40.866 42.059 0.158 0.000 0.892 1207 L HN 0.404 nan 8.230 nan 0.000 0.431 1208 T N -2.728 111.952 114.554 0.210 0.000 2.951 1208 T HA -0.192 4.157 4.350 -0.001 0.000 0.268 1208 T C 1.981 176.788 174.700 0.179 0.000 1.073 1208 T CA 1.346 63.541 62.100 0.159 0.000 1.134 1208 T CB -0.266 68.651 68.868 0.082 0.000 0.884 1208 T HN 0.264 nan 8.240 nan 0.000 0.479 1209 K N 0.601 121.145 120.400 0.239 0.000 2.026 1209 K HA -0.019 4.301 4.320 -0.001 0.000 0.208 1209 K C 1.861 178.633 176.600 0.287 0.000 1.048 1209 K CA 1.489 57.903 56.287 0.212 0.000 0.929 1209 K CB -1.083 31.562 32.500 0.241 0.000 0.713 1209 K HN 0.430 nan 8.250 nan 0.000 0.439 1210 F N 1.001 121.159 119.950 0.347 0.000 2.075 1210 F HA -0.091 4.435 4.527 -0.001 0.000 0.297 1210 F C 1.612 177.703 175.800 0.485 0.000 1.113 1210 F CA 1.684 59.956 58.000 0.453 0.000 1.218 1210 F CB -0.427 38.846 39.000 0.456 0.000 0.984 1210 F HN 0.020 nan 8.300 nan 0.000 0.472 1211 L N 0.361 121.703 121.223 0.198 0.000 2.046 1211 L HA -0.234 4.106 4.340 -0.001 0.000 0.208 1211 L C 1.856 178.628 176.870 -0.164 0.000 1.077 1211 L CA 1.917 56.752 54.840 -0.008 0.000 0.747 1211 L CB -0.928 41.204 42.059 0.121 0.000 0.896 1211 L HN 0.206 nan 8.230 nan 0.000 0.432 1212 N N -1.355 117.303 118.700 -0.070 0.000 2.571 1212 N HA -0.097 4.643 4.740 -0.001 0.000 0.189 1212 N C 1.129 176.517 175.510 -0.202 0.000 1.154 1212 N CA 0.609 53.585 53.050 -0.124 0.000 0.907 1212 N CB 0.159 38.617 38.487 -0.047 0.000 0.977 1212 N HN 0.222 nan 8.380 nan 0.000 0.449 1213 T N -0.290 114.108 114.554 -0.261 0.000 3.065 1213 T HA 0.209 4.559 4.350 -0.001 0.000 0.252 1213 T C 0.698 174.976 174.700 -0.703 0.000 1.099 1213 T CA -0.153 61.759 62.100 -0.314 0.000 1.063 1213 T CB 0.198 69.015 68.868 -0.085 0.000 0.948 1213 T HN 0.205 nan 8.240 nan 0.000 0.506 1214 A N 1.594 123.752 122.820 -1.104 0.000 2.322 1214 A HA 0.497 4.817 4.320 -0.001 0.000 0.269 1214 A C 0.166 177.300 177.584 -0.751 0.000 1.094 1214 A CA -0.344 50.827 52.037 -1.443 0.000 0.807 1214 A CB 0.455 18.247 19.000 -2.012 0.000 1.047 1214 A HN 0.207 nan 8.150 nan 0.000 0.487 1215 K N 1.080 121.097 120.400 -0.638 0.000 2.211 1215 K HA 0.274 4.593 4.320 -0.001 0.000 0.275 1215 K C -0.866 175.507 176.600 -0.377 0.000 1.024 1215 K CA -0.379 55.663 56.287 -0.409 0.000 0.887 1215 K CB 0.735 33.035 32.500 -0.333 0.000 1.084 1215 K HN 0.722 nan 8.250 nan 0.000 0.463 1216 D N 1.982 122.222 120.400 -0.267 0.000 2.983 1216 D HA -0.226 4.413 4.640 -0.001 0.000 0.225 1216 D C 0.131 176.304 176.300 -0.212 0.000 1.174 1216 D CA 1.011 54.892 54.000 -0.198 0.000 0.831 1216 D CB -0.914 39.791 40.800 -0.159 0.000 1.104 1216 D HN 0.850 nan 8.370 nan 0.000 0.421 1217 R N -0.422 119.902 120.500 -0.294 0.000 3.741 1217 R HA -0.315 4.025 4.340 -0.001 0.000 0.292 1217 R C 0.539 176.711 176.300 -0.214 0.000 1.176 1217 R CA 1.855 57.787 56.100 -0.280 0.000 0.794 1217 R CB -1.987 28.227 30.300 -0.144 0.000 1.213 1217 R HN 0.787 nan 8.270 nan 0.000 0.494 1218 N N -1.159 117.366 118.700 -0.292 0.000 2.118 1218 N HA 0.036 4.776 4.740 -0.001 0.000 0.226 1218 N C -0.297 175.008 175.510 -0.341 0.000 1.305 1218 N CA -0.496 52.445 53.050 -0.182 0.000 0.890 1218 N CB 0.625 39.046 38.487 -0.109 0.000 1.118 1218 N HN 0.316 nan 8.380 nan 0.000 0.511 1219 R N -0.573 119.589 120.500 -0.563 0.000 2.634 1219 R HA 0.175 4.514 4.340 -0.001 0.000 0.263 1219 R C -2.010 173.995 176.300 -0.492 0.000 1.060 1219 R CA -0.797 54.926 56.100 -0.629 0.000 0.898 1219 R CB 0.573 29.911 30.300 -1.604 0.000 1.253 1219 R HN 0.035 nan 8.270 nan 0.000 0.461 1220 W N 2.971 124.080 121.300 -0.318 0.000 2.289 1220 W HA 0.259 4.918 4.660 -0.001 0.000 0.342 1220 W C -0.216 176.251 176.519 -0.088 0.000 0.958 1220 W CA -0.242 57.006 57.345 -0.161 0.000 1.492 1220 W CB 1.320 30.738 29.460 -0.070 0.000 1.336 1220 W HN 0.647 nan 8.180 nan 0.000 0.371 1221 E N 2.362 122.534 120.200 -0.047 0.000 2.191 1221 E HA 0.289 4.639 4.350 -0.001 0.000 0.274 1221 E C -0.759 175.882 176.600 0.069 0.000 0.948 1221 E CA -0.283 56.130 56.400 0.022 0.000 0.802 1221 E CB 1.649 31.301 29.700 -0.080 0.000 1.137 1221 E HN 0.322 nan 8.360 nan 0.000 0.397 1222 E N 4.103 124.382 120.200 0.132 0.000 2.210 1222 E HA 0.309 4.659 4.350 -0.001 0.000 0.266 1222 E C -2.379 174.273 176.600 0.088 0.000 0.883 1222 E CA -2.417 54.057 56.400 0.122 0.000 0.761 1222 E CB 1.967 31.785 29.700 0.196 0.000 1.156 1222 E HN 0.448 nan 8.360 nan 0.000 0.412 1223 P HA -0.063 nan 4.420 nan 0.000 0.262 1223 P C 0.624 177.936 177.300 0.020 0.000 1.182 1223 P CA 0.620 63.740 63.100 0.034 0.000 0.761 1223 P CB 0.424 32.135 31.700 0.019 0.000 0.795 1224 G N 2.521 111.331 108.800 0.017 0.000 2.225 1224 G HA2 -0.231 3.729 3.960 -0.001 0.000 0.267 1224 G HA3 -0.231 3.729 3.960 -0.001 0.000 0.267 1224 G C 0.163 175.027 174.900 -0.061 0.000 1.024 1224 G CA -0.069 45.024 45.100 -0.012 0.000 0.784 1224 G HN 0.606 nan 8.290 nan 0.000 0.507 1225 Q N -0.633 119.141 119.800 -0.043 0.000 2.928 1225 Q HA 0.285 4.625 4.340 -0.001 0.000 0.353 1225 Q C 1.285 177.287 176.000 0.003 0.000 0.870 1225 Q CA -0.049 55.658 55.803 -0.159 0.000 0.963 1225 Q CB 0.741 29.364 28.738 -0.192 0.000 1.419 1225 Q HN 0.734 nan 8.270 nan 0.000 0.396 1226 Q N 1.133 120.961 119.800 0.045 0.000 2.047 1226 Q HA -0.195 4.144 4.340 -0.001 0.000 0.211 1226 Q C 1.399 177.515 176.000 0.192 0.000 1.005 1226 Q CA 1.876 57.767 55.803 0.147 0.000 0.866 1226 Q CB 0.120 28.945 28.738 0.145 0.000 0.938 1226 Q HN 0.556 nan 8.270 nan 0.000 0.414 1227 L N -0.648 120.680 121.223 0.176 0.000 2.141 1227 L HA -0.179 4.160 4.340 -0.001 0.000 0.209 1227 L C 2.378 179.447 176.870 0.331 0.000 1.094 1227 L CA 0.764 55.752 54.840 0.247 0.000 0.763 1227 L CB -0.615 41.627 42.059 0.306 0.000 0.908 1227 L HN 0.372 nan 8.230 nan 0.000 0.437 1228 Y N 0.750 121.142 120.300 0.153 0.000 2.224 1228 Y HA -0.172 4.378 4.550 -0.001 0.000 0.289 1228 Y C 2.562 178.649 175.900 0.311 0.000 1.146 1228 Y CA 0.616 58.826 58.100 0.184 0.000 1.182 1228 Y CB -0.851 37.657 38.460 0.081 0.000 0.983 1228 Y HN 0.311 nan 8.280 nan 0.000 0.524 1229 N N -0.376 118.596 118.700 0.453 0.000 2.216 1229 N HA -0.110 4.630 4.740 -0.001 0.000 0.183 1229 N C 2.088 177.895 175.510 0.496 0.000 1.017 1229 N CA 1.028 54.353 53.050 0.458 0.000 0.861 1229 N CB -0.626 38.141 38.487 0.466 0.000 0.986 1229 N HN 0.157 nan 8.380 nan 0.000 0.428 1230 V N 1.665 121.784 119.914 0.343 0.000 2.307 1230 V HA -0.176 3.944 4.120 -0.001 0.000 0.245 1230 V C 2.442 178.592 176.094 0.093 0.000 1.045 1230 V CA 1.566 63.954 62.300 0.147 0.000 1.024 1230 V CB -0.472 31.239 31.823 -0.187 0.000 0.651 1230 V HN 0.369 nan 8.190 nan 0.000 0.449 1231 E N 0.480 120.747 120.200 0.111 0.000 2.038 1231 E HA -0.265 4.085 4.350 -0.001 0.000 0.195 1231 E C 2.246 178.951 176.600 0.174 0.000 1.000 1231 E CA 1.675 58.140 56.400 0.108 0.000 0.803 1231 E CB -0.239 29.628 29.700 0.279 0.000 0.750 1231 E HN 0.517 nan 8.360 nan 0.000 0.448 1232 A N 0.409 123.434 122.820 0.342 0.000 1.883 1232 A HA -0.184 4.136 4.320 -0.001 0.000 0.217 1232 A C 2.411 180.084 177.584 0.147 0.000 1.186 1232 A CA 2.281 54.482 52.037 0.273 0.000 0.624 1232 A CB -1.096 18.113 19.000 0.349 0.000 0.822 1232 A HN 0.398 nan 8.150 nan 0.000 0.444 1233 T N -0.066 114.618 114.554 0.217 0.000 2.929 1233 T HA -0.068 4.282 4.350 -0.001 0.000 0.271 1233 T C 2.137 176.858 174.700 0.036 0.000 1.085 1233 T CA 1.447 63.658 62.100 0.185 0.000 1.125 1233 T CB -0.214 68.901 68.868 0.411 0.000 0.874 1233 T HN 0.466 nan 8.240 nan 0.000 0.494 1234 S N 0.256 115.943 115.700 -0.021 0.000 2.357 1234 S HA 0.003 4.473 4.470 -0.001 0.000 0.221 1234 S C 1.687 176.138 174.600 -0.248 0.000 1.031 1234 S CA 0.714 58.821 58.200 -0.155 0.000 0.982 1234 S CB -0.429 62.624 63.200 -0.245 0.000 0.853 1234 S HN 0.579 nan 8.310 nan 0.000 0.458 1235 Y N 1.764 121.940 120.300 -0.206 0.000 2.165 1235 Y HA -0.224 4.325 4.550 -0.001 0.000 0.286 1235 Y C 2.720 178.412 175.900 -0.347 0.000 1.155 1235 Y CA 0.885 58.782 58.100 -0.339 0.000 1.164 1235 Y CB -0.404 37.950 38.460 -0.176 0.000 0.978 1235 Y HN 0.295 nan 8.280 nan 0.000 0.513 1236 A N -0.205 122.513 122.820 -0.171 0.000 1.877 1236 A HA -0.210 4.110 4.320 -0.001 0.000 0.216 1236 A C 2.097 179.600 177.584 -0.136 0.000 1.186 1236 A CA 1.649 53.501 52.037 -0.307 0.000 0.620 1236 A CB -1.031 17.154 19.000 -1.359 0.000 0.822 1236 A HN 0.437 nan 8.150 nan 0.000 0.443 1237 L N -0.196 120.944 121.223 -0.138 0.000 2.079 1237 L HA -0.111 4.229 4.340 -0.001 0.000 0.210 1237 L C 2.209 179.043 176.870 -0.060 0.000 1.081 1237 L CA 1.657 56.468 54.840 -0.048 0.000 0.752 1237 L CB -0.641 41.398 42.059 -0.034 0.000 0.896 1237 L HN 0.405 nan 8.230 nan 0.000 0.433 1238 L N -0.893 120.216 121.223 -0.190 0.000 2.093 1238 L HA -0.142 4.197 4.340 -0.001 0.000 0.208 1238 L C 2.628 179.477 176.870 -0.034 0.000 1.085 1238 L CA 1.042 55.735 54.840 -0.245 0.000 0.755 1238 L CB -0.811 40.769 42.059 -0.799 0.000 0.904 1238 L HN 0.372 nan 8.230 nan 0.000 0.435 1239 A N 0.206 123.033 122.820 0.010 0.000 1.877 1239 A HA -0.164 4.155 4.320 -0.001 0.000 0.216 1239 A C 2.225 179.804 177.584 -0.009 0.000 1.186 1239 A CA 1.361 53.445 52.037 0.078 0.000 0.620 1239 A CB -0.728 18.157 19.000 -0.192 0.000 0.822 1239 A HN 0.336 nan 8.150 nan 0.000 0.443 1240 L N -0.609 120.638 121.223 0.040 0.000 2.079 1240 L HA -0.197 4.142 4.340 -0.001 0.000 0.210 1240 L C 2.563 179.381 176.870 -0.088 0.000 1.081 1240 L CA 1.020 55.885 54.840 0.042 0.000 0.752 1240 L CB -0.531 41.597 42.059 0.114 0.000 0.896 1240 L HN 0.380 nan 8.230 nan 0.000 0.433 1241 L N -1.104 120.081 121.223 -0.064 0.000 2.046 1241 L HA -0.236 4.103 4.340 -0.001 0.000 0.208 1241 L C 2.484 179.292 176.870 -0.103 0.000 1.077 1241 L CA 0.687 55.460 54.840 -0.113 0.000 0.747 1241 L CB -0.368 41.708 42.059 0.029 0.000 0.896 1241 L HN 0.234 nan 8.230 nan 0.000 0.432 1242 L N -0.374 120.839 121.223 -0.018 0.000 2.131 1242 L HA -0.169 4.170 4.340 -0.001 0.000 0.210 1242 L C 2.149 178.988 176.870 -0.051 0.000 1.092 1242 L CA 1.712 56.550 54.840 -0.004 0.000 0.759 1242 L CB -0.494 41.585 42.059 0.034 0.000 0.903 1242 L HN 0.192 nan 8.230 nan 0.000 0.435 1243 L N -0.948 120.227 121.223 -0.080 0.000 2.509 1243 L HA -0.000 4.340 4.340 -0.001 0.000 0.222 1243 L C 0.782 177.582 176.870 -0.115 0.000 1.123 1243 L CA 0.012 54.808 54.840 -0.074 0.000 0.856 1243 L CB -0.260 41.770 42.059 -0.049 0.000 0.985 1243 L HN 0.188 nan 8.230 nan 0.000 0.456 1244 K N -0.214 120.032 120.400 -0.257 0.000 3.160 1244 K HA -0.224 4.095 4.320 -0.001 0.000 0.280 1244 K C 0.033 176.359 176.600 -0.457 0.000 1.154 1244 K CA 0.812 56.801 56.287 -0.498 0.000 0.822 1244 K CB -1.966 30.486 32.500 -0.079 0.000 1.239 1244 K HN 0.300 nan 8.250 nan 0.000 0.489 1245 D N 0.579 120.790 120.400 -0.315 0.000 2.688 1245 D HA 0.127 4.767 4.640 -0.001 0.000 0.228 1245 D C 0.625 176.869 176.300 -0.094 0.000 1.116 1245 D CA -0.471 53.468 54.000 -0.101 0.000 1.023 1245 D CB -0.821 39.983 40.800 0.006 0.000 1.100 1245 D HN 0.173 nan 8.370 nan 0.000 0.487 1246 F N 0.149 120.160 119.950 0.102 0.000 2.664 1246 F HA -0.053 4.474 4.527 -0.001 0.000 0.297 1246 F C 1.839 177.700 175.800 0.103 0.000 1.164 1246 F CA 0.150 58.217 58.000 0.111 0.000 1.472 1246 F CB 0.111 39.168 39.000 0.095 0.000 1.108 1246 F HN 0.164 nan 8.300 nan 0.000 0.596 1247 D N -0.404 120.118 120.400 0.203 0.000 2.120 1247 D HA -0.087 4.552 4.640 -0.001 0.000 0.202 1247 D C 2.053 178.431 176.300 0.130 0.000 0.972 1247 D CA 1.388 55.480 54.000 0.152 0.000 0.837 1247 D CB -0.009 40.859 40.800 0.114 0.000 0.989 1247 D HN 0.060 nan 8.370 nan 0.000 0.469 1248 S N -0.711 115.063 115.700 0.123 0.000 2.575 1248 S HA 0.082 4.552 4.470 -0.001 0.000 0.215 1248 S C 1.921 176.601 174.600 0.133 0.000 0.966 1248 S CA -0.202 58.068 58.200 0.117 0.000 0.911 1248 S CB 0.546 63.822 63.200 0.127 0.000 0.780 1248 S HN 0.009 nan 8.310 nan 0.000 0.514 1249 V N 2.986 122.990 119.914 0.149 0.000 2.270 1249 V HA -0.049 4.071 4.120 -0.001 0.000 0.245 1249 V C -0.551 175.614 176.094 0.118 0.000 1.043 1249 V CA 1.487 63.880 62.300 0.155 0.000 1.014 1249 V CB -1.555 30.415 31.823 0.245 0.000 0.645 1249 V HN 0.293 nan 8.190 nan 0.000 0.447 1250 P HA -0.152 nan 4.420 nan 0.000 0.214 1250 P C -1.344 175.986 177.300 0.051 0.000 1.169 1250 P CA 2.239 65.394 63.100 0.091 0.000 0.908 1250 P CB -1.444 30.328 31.700 0.120 0.000 0.791 1251 P HA -0.139 nan 4.420 nan 0.000 0.216 1251 P C 1.621 178.978 177.300 0.096 0.000 1.153 1251 P CA 1.255 64.395 63.100 0.067 0.000 0.858 1251 P CB -0.584 31.144 31.700 0.046 0.000 0.789 1252 V N -0.515 119.460 119.914 0.103 0.000 2.295 1252 V HA -0.202 3.917 4.120 -0.001 0.000 0.246 1252 V C 2.506 178.673 176.094 0.123 0.000 1.049 1252 V CA 1.794 64.188 62.300 0.156 0.000 1.024 1252 V CB -1.376 30.554 31.823 0.177 0.000 0.648 1252 V HN -0.041 nan 8.190 nan 0.000 0.447 1253 V N -0.215 119.684 119.914 -0.025 0.000 2.332 1253 V HA -0.297 3.823 4.120 -0.001 0.000 0.248 1253 V C 2.613 178.655 176.094 -0.087 0.000 1.055 1253 V CA 2.194 64.388 62.300 -0.177 0.000 1.038 1253 V CB -0.822 30.665 31.823 -0.560 0.000 0.651 1253 V HN 0.447 nan 8.190 nan 0.000 0.450 1254 R N -1.559 118.931 120.500 -0.017 0.000 2.080 1254 R HA -0.242 4.097 4.340 -0.001 0.000 0.236 1254 R C 2.132 178.470 176.300 0.064 0.000 1.137 1254 R CA 2.402 58.514 56.100 0.020 0.000 0.943 1254 R CB -0.449 29.883 30.300 0.052 0.000 0.846 1254 R HN 0.676 nan 8.270 nan 0.000 0.431 1255 W N 1.277 122.552 121.300 -0.042 0.000 2.353 1255 W HA -0.187 4.472 4.660 -0.001 0.000 0.319 1255 W C 1.776 178.268 176.519 -0.045 0.000 1.207 1255 W CA 1.327 58.654 57.345 -0.029 0.000 1.291 1255 W CB -0.563 28.893 29.460 -0.006 0.000 1.159 1255 W HN 0.002 nan 8.180 nan 0.000 0.478 1256 L N 0.953 122.265 121.223 0.148 0.000 2.051 1256 L HA -0.354 3.985 4.340 -0.001 0.000 0.214 1256 L C 2.222 178.918 176.870 -0.289 0.000 1.076 1256 L CA 2.071 56.843 54.840 -0.114 0.000 0.758 1256 L CB -0.970 41.096 42.059 0.011 0.000 0.890 1256 L HN 0.134 nan 8.230 nan 0.000 0.433 1257 N N -0.124 118.459 118.700 -0.195 0.000 2.289 1257 N HA -0.169 4.570 4.740 -0.001 0.000 0.184 1257 N C 1.144 176.523 175.510 -0.217 0.000 1.016 1257 N CA 1.227 54.164 53.050 -0.189 0.000 0.872 1257 N CB -0.055 38.364 38.487 -0.114 0.000 0.973 1257 N HN 0.325 nan 8.380 nan 0.000 0.433 1258 D N -0.143 120.092 120.400 -0.276 0.000 2.354 1258 D HA 0.003 4.643 4.640 -0.001 0.000 0.209 1258 D C -0.173 175.908 176.300 -0.365 0.000 1.015 1258 D CA 0.287 54.123 54.000 -0.273 0.000 0.867 1258 D CB -0.103 40.559 40.800 -0.232 0.000 0.933 1258 D HN 0.129 nan 8.370 nan 0.000 0.520 1259 E N 1.177 121.065 120.200 -0.520 0.000 2.351 1259 E HA 0.043 4.392 4.350 -0.001 0.000 0.266 1259 E C 0.818 177.243 176.600 -0.292 0.000 1.031 1259 E CA 0.013 56.115 56.400 -0.496 0.000 0.911 1259 E CB 0.460 29.760 29.700 -0.666 0.000 0.986 1259 E HN -0.028 nan 8.360 nan 0.000 0.446 1260 R N 3.283 123.640 120.500 -0.238 0.000 4.160 1260 R HA -0.039 4.301 4.340 -0.001 0.000 0.216 1260 R C -0.030 175.956 176.300 -0.524 0.000 2.009 1260 R CA -0.209 55.706 56.100 -0.308 0.000 1.664 1260 R CB -0.865 29.309 30.300 -0.210 0.000 1.216 1260 R HN 0.409 nan 8.270 nan 0.000 0.648 1261 Y N 0.509 120.537 120.300 -0.453 0.000 2.861 1261 Y HA -0.262 4.288 4.550 -0.001 0.000 0.344 1261 Y C -0.166 175.385 175.900 -0.581 0.000 1.272 1261 Y CA 0.367 58.249 58.100 -0.363 0.000 1.502 1261 Y CB 0.282 38.602 38.460 -0.233 0.000 1.333 1261 Y HN 0.123 nan 8.280 nan 0.000 0.634 1262 Y N 4.958 124.796 120.300 -0.770 0.000 2.836 1262 Y HA 0.306 4.855 4.550 -0.000 0.000 0.359 1262 Y C 1.319 176.842 175.900 -0.628 0.000 1.060 1262 Y CA -0.293 57.495 58.100 -0.521 0.000 1.161 1262 Y CB 0.590 38.913 38.460 -0.230 0.000 1.225 1262 Y HN 0.867 nan 8.280 nan 0.000 0.621 1263 G N 1.697 110.197 108.800 -0.500 0.000 3.331 1263 G HA2 -0.400 3.559 3.960 -0.001 0.000 0.259 1263 G HA3 -0.400 3.559 3.960 -0.001 0.000 0.259 1263 G C 1.643 176.502 174.900 -0.069 0.000 1.004 1263 G CA 1.218 46.191 45.100 -0.212 0.000 0.753 1263 G HN 0.765 nan 8.290 nan 0.000 1.125 1264 G N 0.760 109.558 108.800 -0.003 0.000 3.448 1264 G HA2 0.519 4.478 3.960 -0.001 0.000 0.261 1264 G HA3 0.519 4.478 3.960 -0.001 0.000 0.261 1264 G C 0.545 175.475 174.900 0.051 0.000 1.173 1264 G CA 0.656 45.780 45.100 0.040 0.000 0.835 1264 G HN 0.756 nan 8.290 nan 0.000 0.534 1265 G N -0.713 108.112 108.800 0.042 0.000 2.476 1265 G HA2 0.389 4.349 3.960 -0.001 0.000 0.286 1265 G HA3 0.389 4.349 3.960 -0.001 0.000 0.286 1265 G C -0.605 174.358 174.900 0.106 0.000 1.177 1265 G CA -0.918 44.230 45.100 0.080 0.000 0.870 1265 G HN 0.185 nan 8.290 nan 0.000 0.528 1266 Y N 0.662 120.968 120.300 0.010 0.000 2.881 1266 Y HA 0.235 4.785 4.550 -0.000 0.000 0.335 1266 Y C 1.485 177.405 175.900 0.033 0.000 1.263 1266 Y CA 1.698 59.811 58.100 0.021 0.000 1.572 1266 Y CB 0.431 38.893 38.460 0.003 0.000 1.237 1266 Y HN 1.215 nan 8.280 nan 0.000 0.568 1267 G N 3.001 111.540 108.800 -0.435 0.000 2.159 1267 G HA2 -0.321 3.638 3.960 -0.001 0.000 0.256 1267 G HA3 -0.321 3.638 3.960 -0.001 0.000 0.256 1267 G C 0.638 175.549 174.900 0.018 0.000 0.977 1267 G CA 0.634 45.576 45.100 -0.265 0.000 0.652 1267 G HN 1.348 nan 8.290 nan 0.000 0.531 1268 S N -0.915 114.835 115.700 0.083 0.000 2.582 1268 S HA 0.350 4.820 4.470 -0.001 0.000 0.234 1268 S C 1.651 176.449 174.600 0.331 0.000 0.961 1268 S CA 1.091 59.456 58.200 0.276 0.000 0.953 1268 S CB 0.373 63.628 63.200 0.092 0.000 0.800 1268 S HN 0.298 nan 8.310 nan 0.000 0.471 1269 T N 2.583 117.248 114.554 0.186 0.000 2.701 1269 T HA -0.082 4.268 4.350 -0.001 0.000 0.263 1269 T C 1.905 176.790 174.700 0.307 0.000 1.040 1269 T CA 1.422 63.653 62.100 0.218 0.000 1.147 1269 T CB -0.256 68.662 68.868 0.084 0.000 0.865 1269 T HN 0.304 nan 8.240 nan 0.000 0.426 1270 Q N 0.833 120.778 119.800 0.242 0.000 2.124 1270 Q HA 0.108 4.448 4.340 -0.001 0.000 0.202 1270 Q C 2.564 178.712 176.000 0.246 0.000 0.977 1270 Q CA 1.497 57.472 55.803 0.287 0.000 0.850 1270 Q CB -0.816 28.085 28.738 0.271 0.000 0.901 1270 Q HN 0.572 nan 8.270 nan 0.000 0.429 1271 A N -0.089 122.834 122.820 0.172 0.000 2.014 1271 A HA -0.088 4.232 4.320 -0.001 0.000 0.218 1271 A C 2.240 179.638 177.584 -0.310 0.000 1.163 1271 A CA 1.629 53.543 52.037 -0.205 0.000 0.652 1271 A CB -0.468 18.202 19.000 -0.550 0.000 0.808 1271 A HN 0.362 nan 8.150 nan 0.000 0.449 1272 T N -0.926 113.831 114.554 0.337 0.000 2.732 1272 T HA -0.077 4.272 4.350 -0.001 0.000 0.261 1272 T C 1.634 176.584 174.700 0.417 0.000 1.040 1272 T CA 1.425 63.904 62.100 0.632 0.000 1.145 1272 T CB -0.415 68.839 68.868 0.643 0.000 0.866 1272 T HN 0.460 nan 8.240 nan 0.000 0.427 1273 F N 1.576 121.679 119.950 0.255 0.000 2.069 1273 F HA -0.175 4.351 4.527 -0.001 0.000 0.298 1273 F C 2.241 178.081 175.800 0.066 0.000 1.113 1273 F CA 1.352 59.465 58.000 0.188 0.000 1.214 1273 F CB -0.199 38.941 39.000 0.234 0.000 0.978 1273 F HN -0.015 nan 8.300 nan 0.000 0.474 1274 M N -0.365 119.397 119.600 0.270 0.000 2.117 1274 M HA -0.144 4.336 4.480 -0.001 0.000 0.262 1274 M C 2.405 178.605 176.300 -0.166 0.000 1.065 1274 M CA 1.157 56.438 55.300 -0.032 0.000 1.114 1274 M CB -1.622 30.832 32.600 -0.243 0.000 1.361 1274 M HN 0.235 nan 8.290 nan 0.000 0.408 1275 V N -0.262 119.518 119.914 -0.223 0.000 2.343 1275 V HA -0.257 3.863 4.120 -0.001 0.000 0.247 1275 V C 2.124 177.994 176.094 -0.372 0.000 1.051 1275 V CA 1.770 63.852 62.300 -0.363 0.000 1.036 1275 V CB -0.413 31.069 31.823 -0.569 0.000 0.654 1275 V HN 0.299 nan 8.190 nan 0.000 0.451 1276 F N -0.068 119.775 119.950 -0.178 0.000 2.259 1276 F HA -0.101 4.426 4.527 -0.001 0.000 0.298 1276 F C 2.544 178.325 175.800 -0.031 0.000 1.088 1276 F CA 1.752 59.639 58.000 -0.187 0.000 1.358 1276 F CB -0.246 38.623 39.000 -0.218 0.000 1.040 1276 F HN 0.211 nan 8.300 nan 0.000 0.505 1277 Q N 0.680 120.482 119.800 0.004 0.000 2.079 1277 Q HA -0.169 4.170 4.340 -0.001 0.000 0.200 1277 Q C 2.285 178.313 176.000 0.048 0.000 0.974 1277 Q CA 1.485 57.262 55.803 -0.042 0.000 0.840 1277 Q CB -0.178 28.433 28.738 -0.213 0.000 0.898 1277 Q HN 0.370 nan 8.270 nan 0.000 0.430 1278 A N 0.823 123.625 122.820 -0.030 0.000 1.897 1278 A HA -0.082 4.237 4.320 -0.001 0.000 0.215 1278 A C 2.050 179.684 177.584 0.084 0.000 1.181 1278 A CA 0.930 52.951 52.037 -0.028 0.000 0.620 1278 A CB -0.587 18.340 19.000 -0.121 0.000 0.821 1278 A HN 0.441 nan 8.150 nan 0.000 0.443 1279 L N -0.824 120.451 121.223 0.087 0.000 2.093 1279 L HA -0.152 4.187 4.340 -0.001 0.000 0.208 1279 L C 3.066 180.178 176.870 0.404 0.000 1.085 1279 L CA 0.916 55.882 54.840 0.210 0.000 0.755 1279 L CB -0.535 41.572 42.059 0.079 0.000 0.904 1279 L HN 0.457 nan 8.230 nan 0.000 0.435 1280 A N -0.358 122.721 122.820 0.431 0.000 1.898 1280 A HA -0.267 4.052 4.320 -0.001 0.000 0.216 1280 A C 2.201 179.888 177.584 0.172 0.000 1.181 1280 A CA 1.681 53.897 52.037 0.300 0.000 0.620 1280 A CB -0.478 18.719 19.000 0.328 0.000 0.819 1280 A HN 0.351 nan 8.150 nan 0.000 0.442 1281 Q N -1.297 118.620 119.800 0.195 0.000 2.124 1281 Q HA -0.209 4.131 4.340 -0.001 0.000 0.202 1281 Q C 1.802 177.905 176.000 0.171 0.000 0.977 1281 Q CA 2.234 58.129 55.803 0.153 0.000 0.850 1281 Q CB -0.688 28.130 28.738 0.133 0.000 0.901 1281 Q HN 0.746 nan 8.270 nan 0.000 0.429 1282 Y N 0.595 120.952 120.300 0.096 0.000 2.165 1282 Y HA -0.243 4.307 4.550 -0.001 0.000 0.286 1282 Y C 1.715 177.678 175.900 0.105 0.000 1.155 1282 Y CA 1.966 60.135 58.100 0.115 0.000 1.164 1282 Y CB -0.059 38.466 38.460 0.108 0.000 0.978 1282 Y HN 0.061 nan 8.280 nan 0.000 0.513 1283 R N 0.566 121.028 120.500 -0.064 0.000 2.062 1283 R HA -0.016 4.323 4.340 -0.001 0.000 0.231 1283 R C 2.498 178.701 176.300 -0.162 0.000 1.136 1283 R CA 1.280 57.259 56.100 -0.201 0.000 0.948 1283 R CB -1.659 28.595 30.300 -0.076 0.000 0.845 1283 R HN 0.444 nan 8.270 nan 0.000 0.430 1284 A N 1.412 124.187 122.820 -0.076 0.000 2.178 1284 A HA -0.084 4.236 4.320 -0.001 0.000 0.218 1284 A C 0.211 177.777 177.584 -0.030 0.000 1.157 1284 A CA 0.838 52.842 52.037 -0.055 0.000 0.689 1284 A CB -0.216 18.768 19.000 -0.027 0.000 0.787 1284 A HN 0.171 nan 8.150 nan 0.000 0.465 1285 D N 0.000 120.386 120.400 -0.023 0.000 6.856 1285 D HA 0.000 4.640 4.640 -0.001 0.000 0.175 1285 D CA 0.000 54.037 54.000 0.061 0.000 0.868 1285 D CB 0.000 40.911 40.800 0.185 0.000 0.688 1285 D HN 0.000 nan 8.370 nan 0.000 0.683