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 1m5s_1_B DATA FIRST_RESID 1001 DATA SEQUENCE MEINGVEIED TYAEAFPIKI ARVLITAATK RWALVAATEA TGFATSVIMC DATA SEQUENCE PAEAGIERLA SPSETPDGRP GVYVQICTFK YEALEEQLLE RIGQCVLTAP DATA SEQUENCE TTAVFNGLPE AEKQDNVGFK LKFFADGMES ETQIAGRKVY KVPIMEGDFL DATA SEQUENCE AEENIGAIAG IAGGNFFIFG DSQMTALTAA EAAVDTIAEL EGTITPFPGG DATA SEQUENCE IVASGSKSGA NKYKFLKATA NERFCPSIKD KIENTEIPAD VNAVYEIVIN DATA SEQUENCE GLDEESIKAA MKAGIKAAVT VPGVKKISAG NYGGKLGKYQ FKLHELF 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 1001 M HA 0.000 nan 4.480 nan 0.000 0.227 1001 M C 0.000 176.218 176.300 -0.136 0.000 1.140 1001 M CA 0.000 55.214 55.300 -0.143 0.000 0.988 1001 M CB 0.000 32.315 32.600 -0.474 0.000 1.302 1002 E N 4.393 124.502 120.200 -0.152 0.000 2.256 1002 E HA 0.628 4.932 4.350 -0.076 0.000 0.268 1002 E C -1.472 175.012 176.600 -0.192 0.000 0.877 1002 E CA -0.668 55.647 56.400 -0.143 0.000 0.757 1002 E CB 2.909 32.556 29.700 -0.089 0.000 1.183 1002 E HN 0.585 nan 8.360 nan 0.000 0.418 1003 I N 3.029 123.467 120.570 -0.220 0.000 2.382 1003 I HA 0.219 4.343 4.170 -0.076 0.000 0.286 1003 I C 0.168 176.203 176.117 -0.137 0.000 1.002 1003 I CA -0.565 60.597 61.300 -0.229 0.000 1.135 1003 I CB 1.192 38.968 38.000 -0.373 0.000 1.288 1003 I HN 0.572 nan 8.210 nan 0.000 0.448 1004 N N 4.879 123.520 118.700 -0.099 0.000 2.747 1004 N HA -0.197 4.497 4.740 -0.076 0.000 0.249 1004 N C 0.786 176.267 175.510 -0.048 0.000 1.107 1004 N CA 1.402 54.415 53.050 -0.061 0.000 0.707 1004 N CB -0.773 37.685 38.487 -0.049 0.000 1.054 1004 N HN 1.145 nan 8.380 nan 0.000 0.555 1005 G N -3.075 105.691 108.800 -0.056 0.000 2.176 1005 G HA2 -0.270 3.644 3.960 -0.076 0.000 0.253 1005 G HA3 -0.270 3.644 3.960 -0.076 0.000 0.253 1005 G C -0.031 174.846 174.900 -0.038 0.000 0.979 1005 G CA 0.284 45.359 45.100 -0.041 0.000 0.641 1005 G HN 0.784 nan 8.290 nan 0.000 0.530 1006 V N 1.435 121.320 119.914 -0.049 0.000 2.383 1006 V HA 0.427 4.501 4.120 -0.076 0.000 0.275 1006 V C 0.780 176.841 176.094 -0.054 0.000 1.036 1006 V CA -0.742 61.538 62.300 -0.035 0.000 0.889 1006 V CB 1.763 33.576 31.823 -0.017 0.000 0.985 1006 V HN 0.413 nan 8.190 nan 0.000 0.459 1007 E N 4.836 125.013 120.200 -0.039 0.000 2.417 1007 E HA 0.044 4.348 4.350 -0.076 0.000 0.261 1007 E C -0.896 175.691 176.600 -0.022 0.000 1.000 1007 E CA -0.357 56.020 56.400 -0.039 0.000 0.919 1007 E CB 0.487 30.161 29.700 -0.044 0.000 0.955 1007 E HN 0.439 nan 8.360 nan 0.000 0.455 1008 I N 4.896 125.456 120.570 -0.018 0.000 2.306 1008 I HA 0.133 4.258 4.170 -0.076 0.000 0.288 1008 I C 0.480 176.718 176.117 0.201 0.000 1.036 1008 I CA -0.393 60.941 61.300 0.056 0.000 1.221 1008 I CB 0.633 38.619 38.000 -0.024 0.000 1.385 1008 I HN 0.649 nan 8.210 nan 0.000 0.472 1009 E N 4.737 125.018 120.200 0.135 0.000 2.414 1009 E HA -0.090 4.214 4.350 -0.076 0.000 0.263 1009 E C -0.078 176.565 176.600 0.073 0.000 1.000 1009 E CA -0.188 56.263 56.400 0.084 0.000 0.914 1009 E CB 0.751 30.448 29.700 -0.005 0.000 0.948 1009 E HN 0.398 nan 8.360 nan 0.000 0.444 1010 D N 3.596 123.917 120.400 -0.132 0.000 2.545 1010 D HA 0.070 4.665 4.640 -0.076 0.000 0.227 1010 D C -0.800 175.385 176.300 -0.191 0.000 1.150 1010 D CA 0.447 54.146 54.000 -0.502 0.000 1.046 1010 D CB -0.075 40.403 40.800 -0.537 0.000 1.098 1010 D HN 0.367 nan 8.370 nan 0.000 0.502 1011 T N 1.603 116.109 114.554 -0.079 0.000 2.681 1011 T HA 0.612 4.916 4.350 -0.076 0.000 0.296 1011 T C -1.604 173.147 174.700 0.086 0.000 1.157 1011 T CA -0.654 61.425 62.100 -0.035 0.000 1.025 1011 T CB 0.789 69.572 68.868 -0.141 0.000 1.441 1011 T HN 0.212 nan 8.240 nan 0.000 0.504 1012 Y N -0.593 119.728 120.300 0.035 0.000 2.553 1012 Y HA 0.869 5.376 4.550 -0.072 0.000 0.347 1012 Y C -0.586 175.373 175.900 0.099 0.000 1.019 1012 Y CA -1.562 56.585 58.100 0.080 0.000 1.032 1012 Y CB 1.036 39.522 38.460 0.043 0.000 1.284 1012 Y HN 0.733 nan 8.280 nan 0.000 0.466 1013 A N 1.821 124.846 122.820 0.342 0.000 2.309 1013 A HA 0.447 4.721 4.320 -0.076 0.000 0.298 1013 A C -0.562 177.279 177.584 0.429 0.000 1.165 1013 A CA -0.637 51.587 52.037 0.312 0.000 0.821 1013 A CB 0.534 19.743 19.000 0.349 0.000 1.102 1013 A HN 0.812 nan 8.150 nan 0.000 0.500 1014 E N 1.408 121.774 120.200 0.277 0.000 2.109 1014 E HA 0.556 4.860 4.350 -0.076 0.000 0.278 1014 E C -0.435 176.124 176.600 -0.068 0.000 0.954 1014 E CA -0.378 56.128 56.400 0.176 0.000 0.779 1014 E CB 1.108 30.940 29.700 0.220 0.000 1.093 1014 E HN 0.796 nan 8.360 nan 0.000 0.401 1015 A N 4.187 126.977 122.820 -0.051 0.000 2.374 1015 A HA 0.696 4.971 4.320 -0.076 0.000 0.317 1015 A C -1.241 176.274 177.584 -0.114 0.000 1.094 1015 A CA -0.642 51.350 52.037 -0.074 0.000 0.765 1015 A CB 0.603 19.854 19.000 0.418 0.000 1.268 1015 A HN 0.573 nan 8.150 nan 0.000 0.438 1016 F N 1.269 121.442 119.950 0.373 0.000 2.483 1016 F HA 0.586 5.068 4.527 -0.075 0.000 0.329 1016 F C -1.943 174.086 175.800 0.381 0.000 1.064 1016 F CA -2.508 55.698 58.000 0.343 0.000 0.986 1016 F CB 1.214 40.371 39.000 0.261 0.000 1.218 1016 F HN 0.304 nan 8.300 nan 0.000 0.484 1017 P HA 0.317 nan 4.420 nan 0.000 0.271 1017 P C -0.861 176.632 177.300 0.321 0.000 1.218 1017 P CA 0.130 63.484 63.100 0.423 0.000 0.780 1017 P CB 1.927 33.837 31.700 0.350 0.000 0.901 1018 I N 1.102 121.781 120.570 0.182 0.000 2.918 1018 I HA 0.261 4.385 4.170 -0.076 0.000 0.301 1018 I C -0.830 175.283 176.117 -0.006 0.000 1.312 1018 I CA -1.191 60.168 61.300 0.098 0.000 1.007 1018 I CB 2.313 40.328 38.000 0.025 0.000 1.281 1018 I HN 0.036 nan 8.210 nan 0.000 0.440 1019 K N 6.931 127.284 120.400 -0.078 0.000 2.312 1019 K HA 0.510 4.784 4.320 -0.076 0.000 0.287 1019 K C -0.911 175.669 176.600 -0.034 0.000 1.062 1019 K CA -0.029 56.177 56.287 -0.136 0.000 0.934 1019 K CB 0.697 33.031 32.500 -0.277 0.000 1.027 1019 K HN 0.444 nan 8.250 nan 0.000 0.478 1020 I N 2.097 122.682 120.570 0.024 0.000 2.418 1020 I HA 0.280 4.404 4.170 -0.076 0.000 0.287 1020 I C -0.198 175.968 176.117 0.082 0.000 1.008 1020 I CA -0.970 60.352 61.300 0.037 0.000 1.104 1020 I CB 1.956 39.968 38.000 0.021 0.000 1.264 1020 I HN 0.492 nan 8.210 nan 0.000 0.438 1021 A N 6.846 129.712 122.820 0.076 0.000 2.305 1021 A HA 0.665 4.939 4.320 -0.076 0.000 0.322 1021 A C -0.318 177.312 177.584 0.077 0.000 1.187 1021 A CA -0.570 51.519 52.037 0.087 0.000 0.825 1021 A CB 0.905 19.957 19.000 0.088 0.000 1.164 1021 A HN 0.784 nan 8.150 nan 0.000 0.498 1022 R N 1.790 122.343 120.500 0.088 0.000 2.338 1022 R HA 0.604 4.898 4.340 -0.076 0.000 0.317 1022 R C -1.608 174.780 176.300 0.146 0.000 0.968 1022 R CA -0.258 55.908 56.100 0.110 0.000 0.849 1022 R CB 1.308 31.663 30.300 0.091 0.000 1.128 1022 R HN 0.509 nan 8.270 nan 0.000 0.448 1023 V N 5.643 125.660 119.914 0.172 0.000 2.531 1023 V HA 0.305 4.380 4.120 -0.076 0.000 0.301 1023 V C -0.840 175.372 176.094 0.196 0.000 1.034 1023 V CA -0.990 61.410 62.300 0.166 0.000 0.865 1023 V CB 1.716 33.607 31.823 0.113 0.000 0.995 1023 V HN 0.586 nan 8.190 nan 0.000 0.424 1024 L N 6.576 127.908 121.223 0.181 0.000 2.265 1024 L HA 0.611 4.906 4.340 -0.076 0.000 0.288 1024 L C -0.502 176.406 176.870 0.064 0.000 1.058 1024 L CA 0.379 55.227 54.840 0.013 0.000 0.809 1024 L CB 0.627 42.670 42.059 -0.026 0.000 1.179 1024 L HN 0.549 nan 8.230 nan 0.000 0.429 1025 I N 5.042 125.617 120.570 0.008 0.000 2.330 1025 I HA 0.352 4.476 4.170 -0.076 0.000 0.289 1025 I C 0.330 176.481 176.117 0.057 0.000 1.001 1025 I CA -0.404 60.931 61.300 0.059 0.000 1.193 1025 I CB 1.510 39.546 38.000 0.061 0.000 1.345 1025 I HN 0.714 nan 8.210 nan 0.000 0.461 1026 T N 2.967 117.597 114.554 0.126 0.000 2.943 1026 T HA 0.926 5.231 4.350 -0.076 0.000 0.284 1026 T C -0.283 174.491 174.700 0.124 0.000 1.015 1026 T CA -0.620 61.552 62.100 0.121 0.000 1.042 1026 T CB 2.351 71.331 68.868 0.187 0.000 1.055 1026 T HN 0.726 nan 8.240 nan 0.000 0.500 1027 A N 0.296 123.187 122.820 0.118 0.000 2.557 1027 A HA 0.870 5.145 4.320 -0.076 0.000 0.292 1027 A C 1.219 178.881 177.584 0.130 0.000 1.139 1027 A CA -0.406 51.712 52.037 0.136 0.000 0.665 1027 A CB 0.240 19.357 19.000 0.196 0.000 1.285 1027 A HN 1.395 nan 8.150 nan 0.000 0.433 1028 A N -0.587 122.317 122.820 0.139 0.000 1.933 1028 A HA 0.354 4.628 4.320 -0.076 0.000 0.218 1028 A C 1.311 178.991 177.584 0.160 0.000 1.175 1028 A CA 2.643 54.755 52.037 0.126 0.000 0.628 1028 A CB -0.754 18.303 19.000 0.095 0.000 0.814 1028 A HN 2.191 nan 8.150 nan 0.000 0.444 1029 T N -5.743 108.951 114.554 0.234 0.000 2.838 1029 T HA 0.479 4.783 4.350 -0.076 0.000 0.292 1029 T C 0.446 175.213 174.700 0.111 0.000 1.113 1029 T CA -0.350 61.845 62.100 0.158 0.000 1.008 1029 T CB 1.417 70.380 68.868 0.159 0.000 1.259 1029 T HN 0.112 nan 8.240 nan 0.000 0.520 1030 K N -0.108 120.317 120.400 0.041 0.000 2.044 1030 K HA -0.132 4.142 4.320 -0.076 0.000 0.210 1030 K C 2.473 179.052 176.600 -0.035 0.000 1.049 1030 K CA 1.246 57.538 56.287 0.007 0.000 0.927 1030 K CB -0.192 32.301 32.500 -0.012 0.000 0.713 1030 K HN 0.454 nan 8.250 nan 0.000 0.443 1031 R N 0.340 120.765 120.500 -0.125 0.000 2.091 1031 R HA -0.171 4.124 4.340 -0.076 0.000 0.238 1031 R C 1.831 177.944 176.300 -0.312 0.000 1.136 1031 R CA 1.828 57.752 56.100 -0.293 0.000 0.959 1031 R CB -0.272 29.718 30.300 -0.518 0.000 0.856 1031 R HN 0.367 nan 8.270 nan 0.000 0.437 1032 W N 0.084 121.388 121.300 0.007 0.000 2.476 1032 W HA 0.049 4.664 4.660 -0.075 0.000 0.281 1032 W C 2.487 179.012 176.519 0.011 0.000 1.230 1032 W CA 0.536 57.886 57.345 0.009 0.000 1.287 1032 W CB -0.159 29.309 29.460 0.013 0.000 1.108 1032 W HN 0.212 nan 8.180 nan 0.000 0.567 1033 A N 0.171 123.111 122.820 0.199 0.000 1.902 1033 A HA -0.198 4.076 4.320 -0.076 0.000 0.217 1033 A C 1.899 179.528 177.584 0.075 0.000 1.181 1033 A CA 1.613 53.722 52.037 0.120 0.000 0.623 1033 A CB -0.890 18.156 19.000 0.076 0.000 0.818 1033 A HN 0.283 nan 8.150 nan 0.000 0.443 1034 L N -0.409 120.834 121.223 0.033 0.000 2.156 1034 L HA -0.024 4.270 4.340 -0.076 0.000 0.208 1034 L C 2.320 179.196 176.870 0.009 0.000 1.095 1034 L CA 1.451 56.294 54.840 0.005 0.000 0.770 1034 L CB -0.361 41.679 42.059 -0.032 0.000 0.914 1034 L HN 0.129 nan 8.230 nan 0.000 0.439 1035 V N 0.044 119.967 119.914 0.015 0.000 2.295 1035 V HA -0.298 3.776 4.120 -0.076 0.000 0.246 1035 V C 2.761 178.901 176.094 0.077 0.000 1.049 1035 V CA 1.739 64.063 62.300 0.040 0.000 1.024 1035 V CB -1.178 30.699 31.823 0.091 0.000 0.648 1035 V HN 0.595 nan 8.190 nan 0.000 0.447 1036 A N -0.233 122.652 122.820 0.109 0.000 1.873 1036 A HA -0.066 4.208 4.320 -0.076 0.000 0.215 1036 A C 2.412 180.027 177.584 0.052 0.000 1.186 1036 A CA 1.954 54.040 52.037 0.082 0.000 0.616 1036 A CB -0.819 18.237 19.000 0.094 0.000 0.823 1036 A HN 0.567 nan 8.150 nan 0.000 0.442 1037 A N -0.962 121.889 122.820 0.051 0.000 1.933 1037 A HA -0.083 4.191 4.320 -0.076 0.000 0.218 1037 A C 2.297 179.898 177.584 0.030 0.000 1.175 1037 A CA 2.321 54.382 52.037 0.040 0.000 0.628 1037 A CB -1.210 17.813 19.000 0.040 0.000 0.814 1037 A HN 0.435 nan 8.150 nan 0.000 0.444 1038 T N -0.553 114.015 114.554 0.024 0.000 2.737 1038 T HA -0.122 4.182 4.350 -0.076 0.000 0.265 1038 T C 1.931 176.642 174.700 0.018 0.000 1.038 1038 T CA 1.688 63.797 62.100 0.015 0.000 1.144 1038 T CB -0.234 68.637 68.868 0.005 0.000 0.866 1038 T HN 0.633 nan 8.240 nan 0.000 0.434 1039 E N 1.625 121.838 120.200 0.022 0.000 2.085 1039 E HA -0.064 4.241 4.350 -0.076 0.000 0.194 1039 E C 2.200 178.812 176.600 0.020 0.000 0.994 1039 E CA 1.443 57.855 56.400 0.020 0.000 0.801 1039 E CB -0.583 29.130 29.700 0.021 0.000 0.743 1039 E HN 0.425 nan 8.360 nan 0.000 0.453 1040 A N -0.440 122.391 122.820 0.018 0.000 1.972 1040 A HA -0.137 4.138 4.320 -0.076 0.000 0.219 1040 A C 2.260 179.852 177.584 0.014 0.000 1.169 1040 A CA 2.179 54.224 52.037 0.013 0.000 0.635 1040 A CB -0.824 18.186 19.000 0.018 0.000 0.810 1040 A HN 0.440 nan 8.150 nan 0.000 0.446 1041 T N -3.304 111.260 114.554 0.015 0.000 3.092 1041 T HA 0.438 4.743 4.350 -0.076 0.000 0.258 1041 T C 0.875 175.580 174.700 0.009 0.000 1.031 1041 T CA 0.333 62.437 62.100 0.006 0.000 0.925 1041 T CB 0.015 68.887 68.868 0.008 0.000 1.036 1041 T HN 0.422 nan 8.240 nan 0.000 0.544 1042 G N 0.832 109.651 108.800 0.031 0.000 2.634 1042 G HA2 0.392 4.307 3.960 -0.076 0.000 0.255 1042 G HA3 0.392 4.307 3.960 -0.076 0.000 0.255 1042 G C -0.103 174.878 174.900 0.137 0.000 1.205 1042 G CA -0.757 44.378 45.100 0.058 0.000 0.884 1042 G HN 0.361 nan 8.290 nan 0.000 0.549 1043 F N -0.739 119.170 119.950 -0.068 0.000 2.943 1043 F HA -0.186 4.295 4.527 -0.077 0.000 0.258 1043 F C 0.711 176.454 175.800 -0.094 0.000 0.995 1043 F CA 0.428 58.382 58.000 -0.077 0.000 0.896 1043 F CB -1.015 37.950 39.000 -0.057 0.000 0.821 1043 F HN 1.100 nan 8.300 nan 0.000 0.828 1044 A N 0.868 123.659 122.820 -0.049 0.000 3.368 1044 A HA 0.457 4.731 4.320 -0.076 0.000 0.211 1044 A C 1.047 178.502 177.584 -0.215 0.000 1.004 1044 A CA 0.298 52.228 52.037 -0.179 0.000 1.059 1044 A CB -0.719 18.203 19.000 -0.129 0.000 1.298 1044 A HN 0.745 nan 8.150 nan 0.000 0.613 1045 T N -2.631 111.742 114.554 -0.302 0.000 2.851 1045 T HA 0.264 4.568 4.350 -0.076 0.000 0.262 1045 T C 0.883 175.236 174.700 -0.580 0.000 1.043 1045 T CA 1.122 62.863 62.100 -0.598 0.000 1.140 1045 T CB 0.013 68.336 68.868 -0.908 0.000 0.872 1045 T HN 0.842 nan 8.240 nan 0.000 0.446 1046 S N -0.885 114.592 115.700 -0.373 0.000 2.572 1046 S HA 0.486 4.910 4.470 -0.076 0.000 0.274 1046 S C 0.225 174.714 174.600 -0.186 0.000 1.150 1046 S CA -0.660 57.422 58.200 -0.196 0.000 0.944 1046 S CB 2.038 65.200 63.200 -0.063 0.000 1.071 1046 S HN 0.111 nan 8.310 nan 0.000 0.479 1047 V N 6.679 126.467 119.914 -0.210 0.000 3.141 1047 V HA -0.011 4.064 4.120 -0.076 0.000 0.265 1047 V C 1.766 177.779 176.094 -0.134 0.000 1.126 1047 V CA 1.933 64.081 62.300 -0.253 0.000 1.141 1047 V CB -0.855 30.694 31.823 -0.457 0.000 0.743 1047 V HN 0.822 nan 8.190 nan 0.000 0.492 1048 I N -2.606 117.936 120.570 -0.047 0.000 2.756 1048 I HA -0.100 4.024 4.170 -0.076 0.000 0.262 1048 I C 1.719 177.843 176.117 0.011 0.000 1.225 1048 I CA 1.722 63.049 61.300 0.044 0.000 1.472 1048 I CB -0.238 37.802 38.000 0.066 0.000 1.094 1048 I HN 0.235 nan 8.210 nan 0.000 0.454 1049 M N -0.761 118.818 119.600 -0.035 0.000 2.109 1049 M HA 0.244 4.679 4.480 -0.076 0.000 0.372 1049 M C 0.278 176.519 176.300 -0.099 0.000 0.840 1049 M CA -0.070 55.213 55.300 -0.029 0.000 1.128 1049 M CB 0.745 33.352 32.600 0.012 0.000 2.136 1049 M HN 0.193 nan 8.290 nan 0.000 0.723 1050 C N 1.866 121.045 119.300 -0.202 0.000 2.349 1050 C HA 0.372 4.786 4.460 -0.076 0.000 0.361 1050 C C -0.889 173.858 174.990 -0.405 0.000 1.189 1050 C CA -0.706 58.049 59.018 -0.439 0.000 2.155 1050 C CB 1.453 28.917 27.740 -0.460 0.000 2.336 1050 C HN 0.198 nan 8.230 nan 0.000 0.540 1051 P HA 0.028 nan 4.420 nan 0.000 0.219 1051 P C -0.027 177.121 177.300 -0.253 0.000 1.146 1051 P CA 1.467 64.368 63.100 -0.333 0.000 0.808 1051 P CB 0.230 31.724 31.700 -0.343 0.000 0.779 1052 A N -1.708 120.940 122.820 -0.288 0.000 2.564 1052 A HA 0.514 4.789 4.320 -0.076 0.000 0.291 1052 A C -1.514 175.933 177.584 -0.228 0.000 1.102 1052 A CA -0.558 51.345 52.037 -0.223 0.000 0.660 1052 A CB 0.639 19.543 19.000 -0.161 0.000 1.283 1052 A HN -0.145 nan 8.150 nan 0.000 0.430 1053 E N -0.193 119.890 120.200 -0.195 0.000 2.114 1053 E HA 0.611 4.915 4.350 -0.076 0.000 0.266 1053 E C -0.462 176.074 176.600 -0.108 0.000 0.896 1053 E CA -0.224 56.079 56.400 -0.162 0.000 0.750 1053 E CB 1.481 31.087 29.700 -0.156 0.000 1.121 1053 E HN 1.020 nan 8.360 nan 0.000 0.413 1054 A N 2.734 125.499 122.820 -0.091 0.000 2.566 1054 A HA 0.978 5.253 4.320 -0.076 0.000 0.292 1054 A C -0.460 177.106 177.584 -0.030 0.000 1.112 1054 A CA -0.184 51.824 52.037 -0.049 0.000 0.707 1054 A CB 2.069 21.043 19.000 -0.043 0.000 1.302 1054 A HN 0.654 nan 8.150 nan 0.000 0.409 1055 G N -0.703 108.094 108.800 -0.005 0.000 2.451 1055 G HA2 0.514 4.428 3.960 -0.076 0.000 0.292 1055 G HA3 0.514 4.428 3.960 -0.076 0.000 0.292 1055 G C -1.532 173.384 174.900 0.027 0.000 1.427 1055 G CA -0.705 44.399 45.100 0.007 0.000 0.792 1055 G HN 0.740 nan 8.290 nan 0.000 0.498 1056 I N 0.978 121.566 120.570 0.031 0.000 2.441 1056 I HA 0.217 4.341 4.170 -0.076 0.000 0.287 1056 I C 1.498 177.647 176.117 0.054 0.000 1.049 1056 I CA -0.095 61.234 61.300 0.048 0.000 1.381 1056 I CB 1.855 39.879 38.000 0.040 0.000 1.409 1056 I HN 0.866 nan 8.210 nan 0.000 0.523 1057 E N 7.292 127.541 120.200 0.082 0.000 2.057 1057 E HA 0.075 4.379 4.350 -0.076 0.000 0.190 1057 E C 0.056 176.702 176.600 0.077 0.000 0.969 1057 E CA 0.471 56.913 56.400 0.071 0.000 0.812 1057 E CB 0.527 30.274 29.700 0.079 0.000 0.777 1057 E HN 0.687 nan 8.360 nan 0.000 0.455 1058 R N -0.740 119.839 120.500 0.132 0.000 2.709 1058 R HA 0.340 4.634 4.340 -0.076 0.000 0.270 1058 R C -1.546 174.849 176.300 0.159 0.000 1.038 1058 R CA -0.944 55.232 56.100 0.127 0.000 0.872 1058 R CB 0.275 30.646 30.300 0.118 0.000 1.259 1058 R HN -0.104 nan 8.270 nan 0.000 0.473 1059 L N 1.597 122.883 121.223 0.104 0.000 2.416 1059 L HA 0.461 4.755 4.340 -0.076 0.000 0.272 1059 L C 0.260 177.195 176.870 0.108 0.000 1.161 1059 L CA 0.316 55.202 54.840 0.077 0.000 0.845 1059 L CB 1.103 43.188 42.059 0.044 0.000 1.119 1059 L HN 0.868 nan 8.230 nan 0.000 0.464 1060 A N 2.660 125.503 122.820 0.038 0.000 2.290 1060 A HA 0.566 4.840 4.320 -0.076 0.000 0.310 1060 A C 0.197 177.787 177.584 0.010 0.000 1.202 1060 A CA -0.399 51.651 52.037 0.022 0.000 0.837 1060 A CB 0.735 19.590 19.000 -0.242 0.000 1.139 1060 A HN 0.657 nan 8.150 nan 0.000 0.509 1061 S N 2.443 118.165 115.700 0.037 0.000 2.580 1061 S HA 0.336 4.760 4.470 -0.076 0.000 0.274 1061 S C -1.510 173.090 174.600 -0.000 0.000 1.329 1061 S CA -1.163 57.048 58.200 0.019 0.000 1.036 1061 S CB 0.489 63.705 63.200 0.027 0.000 0.919 1061 S HN 0.456 nan 8.310 nan 0.000 0.515 1062 P HA -0.100 nan 4.420 nan 0.000 0.220 1062 P C 1.220 178.510 177.300 -0.016 0.000 1.144 1062 P CA 1.225 64.319 63.100 -0.010 0.000 0.800 1062 P CB -0.076 31.624 31.700 -0.000 0.000 0.772 1063 S N -0.990 114.706 115.700 -0.007 0.000 2.562 1063 S HA -0.059 4.366 4.470 -0.076 0.000 0.221 1063 S C 1.443 176.037 174.600 -0.010 0.000 0.975 1063 S CA 0.482 58.677 58.200 -0.008 0.000 0.918 1063 S CB -0.783 62.418 63.200 0.001 0.000 0.772 1063 S HN 0.399 nan 8.310 nan 0.000 0.531 1064 E N 0.840 121.036 120.200 -0.008 0.000 2.601 1064 E HA 0.103 4.408 4.350 -0.076 0.000 0.219 1064 E C 0.039 176.622 176.600 -0.028 0.000 0.964 1064 E CA -0.070 56.333 56.400 0.004 0.000 1.050 1064 E CB 0.176 29.908 29.700 0.054 0.000 1.068 1064 E HN 0.467 nan 8.360 nan 0.000 0.496 1065 T N -0.971 113.535 114.554 -0.079 0.000 2.907 1065 T HA 0.316 4.621 4.350 -0.076 0.000 0.284 1065 T C -1.938 172.604 174.700 -0.263 0.000 1.004 1065 T CA -1.992 60.004 62.100 -0.174 0.000 1.063 1065 T CB 1.629 70.402 68.868 -0.158 0.000 0.992 1065 T HN -0.282 nan 8.240 nan 0.000 0.483 1066 P HA -0.081 nan 4.420 nan 0.000 0.218 1066 P C 0.831 177.909 177.300 -0.370 0.000 1.148 1066 P CA 1.107 63.889 63.100 -0.530 0.000 0.822 1066 P CB 0.024 31.091 31.700 -1.055 0.000 0.784 1067 D N -2.991 117.204 120.400 -0.342 0.000 2.398 1067 D HA 0.158 4.752 4.640 -0.076 0.000 0.210 1067 D C 1.315 177.577 176.300 -0.064 0.000 1.094 1067 D CA 0.348 54.278 54.000 -0.118 0.000 0.839 1067 D CB -0.804 40.011 40.800 0.025 0.000 0.963 1067 D HN 0.160 nan 8.370 nan 0.000 0.506 1068 G N 0.605 109.353 108.800 -0.087 0.000 2.153 1068 G HA2 -0.324 3.590 3.960 -0.076 0.000 0.252 1068 G HA3 -0.324 3.590 3.960 -0.076 0.000 0.252 1068 G C 0.168 175.055 174.900 -0.021 0.000 0.994 1068 G CA 0.073 45.144 45.100 -0.047 0.000 0.698 1068 G HN 0.445 nan 8.290 nan 0.000 0.521 1069 R N 0.594 121.086 120.500 -0.014 0.000 2.643 1069 R HA 0.497 4.791 4.340 -0.076 0.000 0.272 1069 R C -2.320 173.984 176.300 0.007 0.000 0.995 1069 R CA -1.910 54.199 56.100 0.015 0.000 1.032 1069 R CB 1.367 31.696 30.300 0.048 0.000 1.126 1069 R HN 0.103 nan 8.270 nan 0.000 0.505 1070 P HA 0.080 nan 4.420 nan 0.000 0.268 1070 P C -0.524 176.782 177.300 0.010 0.000 1.205 1070 P CA 0.080 63.188 63.100 0.013 0.000 0.771 1070 P CB 1.034 32.751 31.700 0.029 0.000 0.858 1071 G N 0.318 109.102 108.800 -0.027 0.000 2.687 1071 G HA2 0.568 4.482 3.960 -0.076 0.000 0.291 1071 G HA3 0.568 4.482 3.960 -0.076 0.000 0.291 1071 G C -1.911 172.936 174.900 -0.088 0.000 1.420 1071 G CA -0.588 44.477 45.100 -0.057 0.000 0.796 1071 G HN 0.349 nan 8.290 nan 0.000 0.485 1072 V N 0.429 120.276 119.914 -0.111 0.000 2.569 1072 V HA 0.342 4.416 4.120 -0.076 0.000 0.301 1072 V C -1.407 174.635 176.094 -0.087 0.000 1.044 1072 V CA -0.824 61.441 62.300 -0.059 0.000 0.874 1072 V CB 1.292 33.121 31.823 0.009 0.000 1.002 1072 V HN 0.630 nan 8.190 nan 0.000 0.424 1073 Y N 4.075 124.405 120.300 0.051 0.000 2.402 1073 Y HA 0.516 5.020 4.550 -0.076 0.000 0.333 1073 Y C 0.504 176.428 175.900 0.040 0.000 1.076 1073 Y CA -0.250 57.880 58.100 0.049 0.000 1.299 1073 Y CB 1.409 39.893 38.460 0.040 0.000 1.197 1073 Y HN 0.548 nan 8.280 nan 0.000 0.517 1074 V N 1.035 121.069 119.914 0.199 0.000 2.864 1074 V HA 0.643 4.717 4.120 -0.076 0.000 0.314 1074 V C -0.871 175.287 176.094 0.107 0.000 1.073 1074 V CA -1.204 61.168 62.300 0.120 0.000 0.956 1074 V CB 2.044 33.914 31.823 0.079 0.000 1.023 1074 V HN 0.699 nan 8.190 nan 0.000 0.435 1075 Q N 2.657 122.496 119.800 0.066 0.000 2.337 1075 Q HA 0.719 5.013 4.340 -0.076 0.000 0.266 1075 Q C -1.252 174.761 176.000 0.022 0.000 1.023 1075 Q CA -0.543 55.287 55.803 0.045 0.000 0.829 1075 Q CB 2.857 31.612 28.738 0.028 0.000 1.306 1075 Q HN 0.781 nan 8.270 nan 0.000 0.449 1076 I N 1.629 122.211 120.570 0.019 0.000 2.474 1076 I HA 0.482 4.607 4.170 -0.076 0.000 0.294 1076 I C -0.797 175.308 176.117 -0.020 0.000 1.005 1076 I CA -0.854 60.442 61.300 -0.007 0.000 1.113 1076 I CB 1.636 39.636 38.000 0.001 0.000 1.289 1076 I HN 0.600 nan 8.210 nan 0.000 0.436 1077 C N 3.566 122.829 119.300 -0.061 0.000 2.482 1077 C HA 0.835 5.249 4.460 -0.076 0.000 0.317 1077 C C 0.222 175.117 174.990 -0.158 0.000 1.197 1077 C CA -0.539 58.423 59.018 -0.092 0.000 1.432 1077 C CB 1.251 28.931 27.740 -0.101 0.000 2.062 1077 C HN 0.875 nan 8.230 nan 0.000 0.471 1078 T N -1.314 113.143 114.554 -0.161 0.000 2.841 1078 T HA 0.588 4.893 4.350 -0.076 0.000 0.296 1078 T C 0.254 174.832 174.700 -0.202 0.000 1.166 1078 T CA -0.471 61.496 62.100 -0.223 0.000 1.007 1078 T CB 0.790 69.598 68.868 -0.100 0.000 1.253 1078 T HN 0.195 nan 8.240 nan 0.000 0.511 1079 F N 0.618 120.533 119.950 -0.058 0.000 2.206 1079 F HA 0.357 4.838 4.527 -0.077 0.000 0.298 1079 F C 1.219 176.962 175.800 -0.096 0.000 1.090 1079 F CA 0.621 58.578 58.000 -0.071 0.000 1.323 1079 F CB -0.310 38.651 39.000 -0.065 0.000 1.028 1079 F HN 0.260 nan 8.300 nan 0.000 0.492 1080 K N -1.179 119.286 120.400 0.107 0.000 2.221 1080 K HA 0.222 4.497 4.320 -0.076 0.000 0.258 1080 K C 0.172 176.809 176.600 0.063 0.000 0.944 1080 K CA -0.601 55.717 56.287 0.053 0.000 0.823 1080 K CB 0.733 33.280 32.500 0.079 0.000 1.113 1080 K HN -0.179 nan 8.250 nan 0.000 0.431 1081 Y N 0.939 121.270 120.300 0.051 0.000 2.298 1081 Y HA -0.231 4.274 4.550 -0.075 0.000 0.287 1081 Y C 1.996 177.911 175.900 0.025 0.000 1.164 1081 Y CA 1.533 59.654 58.100 0.035 0.000 1.229 1081 Y CB 0.045 38.525 38.460 0.034 0.000 0.977 1081 Y HN 0.746 nan 8.280 nan 0.000 0.538 1082 E N -0.309 120.002 120.200 0.185 0.000 2.033 1082 E HA -0.129 4.176 4.350 -0.076 0.000 0.189 1082 E C 2.292 178.935 176.600 0.073 0.000 0.979 1082 E CA 0.914 57.376 56.400 0.105 0.000 0.802 1082 E CB -0.150 29.597 29.700 0.078 0.000 0.763 1082 E HN 0.297 nan 8.360 nan 0.000 0.449 1083 A N 1.279 124.137 122.820 0.062 0.000 2.067 1083 A HA -0.109 4.165 4.320 -0.076 0.000 0.219 1083 A C 2.083 179.683 177.584 0.027 0.000 1.158 1083 A CA 0.888 52.945 52.037 0.033 0.000 0.661 1083 A CB -0.456 18.557 19.000 0.022 0.000 0.801 1083 A HN 0.373 nan 8.150 nan 0.000 0.452 1084 L N 0.040 121.297 121.223 0.058 0.000 2.027 1084 L HA -0.088 4.207 4.340 -0.076 0.000 0.206 1084 L C 2.175 179.080 176.870 0.059 0.000 1.074 1084 L CA 2.489 57.366 54.840 0.061 0.000 0.745 1084 L CB -0.719 41.415 42.059 0.124 0.000 0.898 1084 L HN 0.564 nan 8.230 nan 0.000 0.433 1085 E N -0.553 119.689 120.200 0.070 0.000 2.077 1085 E HA -0.304 4.000 4.350 -0.076 0.000 0.193 1085 E C 2.094 178.712 176.600 0.030 0.000 0.989 1085 E CA 1.453 57.882 56.400 0.048 0.000 0.800 1085 E CB -0.100 29.625 29.700 0.042 0.000 0.746 1085 E HN 0.657 nan 8.360 nan 0.000 0.452 1086 E N -0.239 119.975 120.200 0.024 0.000 2.118 1086 E HA -0.243 4.061 4.350 -0.076 0.000 0.195 1086 E C 2.153 178.754 176.600 0.000 0.000 0.992 1086 E CA 1.100 57.506 56.400 0.009 0.000 0.804 1086 E CB 0.158 29.862 29.700 0.006 0.000 0.741 1086 E HN 0.203 nan 8.360 nan 0.000 0.458 1087 Q N 0.230 120.029 119.800 -0.002 0.000 2.083 1087 Q HA -0.085 4.209 4.340 -0.076 0.000 0.198 1087 Q C 2.482 178.481 176.000 -0.003 0.000 0.969 1087 Q CA 0.811 56.605 55.803 -0.015 0.000 0.838 1087 Q CB -0.286 28.433 28.738 -0.030 0.000 0.900 1087 Q HN 0.403 nan 8.270 nan 0.000 0.436 1088 L N 0.103 121.335 121.223 0.014 0.000 2.079 1088 L HA -0.206 4.089 4.340 -0.076 0.000 0.210 1088 L C 2.266 179.148 176.870 0.021 0.000 1.081 1088 L CA 0.739 55.595 54.840 0.026 0.000 0.752 1088 L CB -0.415 41.671 42.059 0.044 0.000 0.896 1088 L HN 0.226 nan 8.230 nan 0.000 0.433 1089 L N -0.315 120.917 121.223 0.015 0.000 2.044 1089 L HA -0.142 4.152 4.340 -0.076 0.000 0.205 1089 L C 2.521 179.381 176.870 -0.016 0.000 1.075 1089 L CA 1.765 56.609 54.840 0.007 0.000 0.747 1089 L CB -0.873 41.191 42.059 0.007 0.000 0.903 1089 L HN 0.358 nan 8.230 nan 0.000 0.435 1090 E N -0.763 119.427 120.200 -0.017 0.000 2.107 1090 E HA -0.172 4.132 4.350 -0.076 0.000 0.191 1090 E C 2.265 178.845 176.600 -0.032 0.000 0.982 1090 E CA 0.736 57.120 56.400 -0.026 0.000 0.809 1090 E CB 0.111 29.800 29.700 -0.018 0.000 0.756 1090 E HN 0.408 nan 8.360 nan 0.000 0.459 1091 R N 0.357 120.843 120.500 -0.022 0.000 2.062 1091 R HA 0.056 4.351 4.340 -0.076 0.000 0.226 1091 R C 2.441 178.723 176.300 -0.030 0.000 1.125 1091 R CA 0.761 56.849 56.100 -0.020 0.000 0.966 1091 R CB -0.001 30.293 30.300 -0.009 0.000 0.861 1091 R HN 0.132 nan 8.270 nan 0.000 0.433 1092 I N -0.202 120.357 120.570 -0.019 0.000 2.353 1092 I HA -0.116 4.009 4.170 -0.076 0.000 0.248 1092 I C 2.354 178.415 176.117 -0.093 0.000 1.119 1092 I CA 1.434 62.723 61.300 -0.018 0.000 1.417 1092 I CB -0.728 37.295 38.000 0.038 0.000 1.078 1092 I HN 0.337 nan 8.210 nan 0.000 0.421 1093 G N 0.175 108.914 108.800 -0.101 0.000 2.402 1093 G HA2 -0.176 3.739 3.960 -0.076 0.000 0.216 1093 G HA3 -0.176 3.739 3.960 -0.076 0.000 0.216 1093 G C 1.564 176.315 174.900 -0.248 0.000 1.162 1093 G CA 0.318 45.304 45.100 -0.189 0.000 0.777 1093 G HN 0.292 nan 8.290 nan 0.000 0.539 1094 Q N -0.953 118.749 119.800 -0.163 0.000 2.384 1094 Q HA 0.159 4.453 4.340 -0.076 0.000 0.207 1094 Q C 1.855 177.780 176.000 -0.126 0.000 0.904 1094 Q CA 0.299 56.014 55.803 -0.148 0.000 0.933 1094 Q CB 0.528 29.213 28.738 -0.088 0.000 1.077 1094 Q HN 0.535 nan 8.270 nan 0.000 0.522 1095 C N -1.455 117.777 119.300 -0.114 0.000 3.730 1095 C HA 0.274 4.688 4.460 -0.076 0.000 0.397 1095 C C 2.143 177.083 174.990 -0.083 0.000 1.468 1095 C CA -0.203 58.770 59.018 -0.074 0.000 1.931 1095 C CB 0.435 28.155 27.740 -0.033 0.000 2.773 1095 C HN 0.137 nan 8.230 nan 0.000 0.692 1096 V N 0.128 119.963 119.914 -0.131 0.000 2.996 1096 V HA 0.108 4.183 4.120 -0.076 0.000 0.235 1096 V C 1.949 177.838 176.094 -0.342 0.000 1.205 1096 V CA 0.627 62.852 62.300 -0.125 0.000 1.225 1096 V CB -0.541 31.269 31.823 -0.022 0.000 0.995 1096 V HN 0.443 nan 8.190 nan 0.000 0.484 1097 L N 1.309 122.144 121.223 -0.646 0.000 2.079 1097 L HA -0.188 4.106 4.340 -0.076 0.000 0.210 1097 L C 2.478 178.932 176.870 -0.692 0.000 1.081 1097 L CA 2.435 56.516 54.840 -1.265 0.000 0.752 1097 L CB -0.241 41.166 42.059 -1.087 0.000 0.896 1097 L HN 0.642 nan 8.230 nan 0.000 0.433 1098 T N -2.697 111.603 114.554 -0.423 0.000 3.113 1098 T HA 0.294 4.598 4.350 -0.076 0.000 0.256 1098 T C 0.744 175.343 174.700 -0.169 0.000 1.131 1098 T CA 0.201 62.143 62.100 -0.263 0.000 1.074 1098 T CB -0.245 68.500 68.868 -0.206 0.000 0.944 1098 T HN 0.341 nan 8.240 nan 0.000 0.516 1099 A N 2.479 125.207 122.820 -0.154 0.000 2.316 1099 A HA 0.649 4.923 4.320 -0.076 0.000 0.284 1099 A C -2.637 174.896 177.584 -0.086 0.000 1.115 1099 A CA -2.043 49.953 52.037 -0.068 0.000 0.812 1099 A CB 0.194 19.192 19.000 -0.002 0.000 1.064 1099 A HN 0.191 nan 8.150 nan 0.000 0.489 1100 P HA 0.108 nan 4.420 nan 0.000 0.262 1100 P C 0.609 177.786 177.300 -0.206 0.000 1.199 1100 P CA 1.788 64.713 63.100 -0.292 0.000 0.763 1100 P CB 0.343 31.617 31.700 -0.709 0.000 0.790 1101 T N -1.101 113.371 114.554 -0.137 0.000 6.386 1101 T HA -0.200 4.104 4.350 -0.076 0.000 0.278 1101 T C 0.259 174.993 174.700 0.056 0.000 2.163 1101 T CA 1.258 63.326 62.100 -0.053 0.000 3.541 1101 T CB -2.994 65.810 68.868 -0.106 0.000 1.383 1101 T HN 0.604 nan 8.240 nan 0.000 1.186 1102 T N -0.228 114.389 114.554 0.105 0.000 2.913 1102 T HA 0.729 5.034 4.350 -0.076 0.000 0.297 1102 T C 0.223 175.056 174.700 0.222 0.000 1.029 1102 T CA -0.233 61.969 62.100 0.170 0.000 1.104 1102 T CB 1.682 70.656 68.868 0.177 0.000 0.964 1102 T HN 1.605 nan 8.240 nan 0.000 0.532 1103 A N 1.934 124.816 122.820 0.104 0.000 2.413 1103 A HA 0.782 5.056 4.320 -0.076 0.000 0.307 1103 A C -0.072 177.401 177.584 -0.184 0.000 1.087 1103 A CA -0.826 51.122 52.037 -0.149 0.000 0.750 1103 A CB 1.689 20.576 19.000 -0.190 0.000 1.296 1103 A HN 1.732 nan 8.150 nan 0.000 0.423 1104 V N -0.757 118.893 119.914 -0.439 0.000 2.495 1104 V HA 0.926 5.001 4.120 -0.076 0.000 0.298 1104 V C -1.107 174.618 176.094 -0.615 0.000 1.031 1104 V CA -0.702 61.426 62.300 -0.286 0.000 0.871 1104 V CB 0.663 32.473 31.823 -0.021 0.000 0.988 1104 V HN 0.631 nan 8.190 nan 0.000 0.432 1105 F N 2.121 122.076 119.950 0.009 0.000 2.579 1105 F HA 0.540 5.022 4.527 -0.076 0.000 0.324 1105 F C 0.396 176.230 175.800 0.057 0.000 1.058 1105 F CA -0.871 57.139 58.000 0.017 0.000 0.944 1105 F CB 1.704 40.705 39.000 0.001 0.000 1.245 1105 F HN 0.597 nan 8.300 nan 0.000 0.477 1106 N N 0.757 119.612 118.700 0.258 0.000 2.452 1106 N HA 0.128 4.823 4.740 -0.076 0.000 0.266 1106 N C 0.849 176.484 175.510 0.209 0.000 1.209 1106 N CA 0.315 53.476 53.050 0.185 0.000 0.929 1106 N CB 1.455 40.029 38.487 0.145 0.000 1.063 1106 N HN 0.805 nan 8.380 nan 0.000 0.472 1107 G N 2.930 111.853 108.800 0.205 0.000 2.551 1107 G HA2 0.049 3.964 3.960 -0.076 0.000 0.216 1107 G HA3 0.049 3.964 3.960 -0.076 0.000 0.216 1107 G C 0.552 175.527 174.900 0.124 0.000 1.137 1107 G CA 0.156 45.397 45.100 0.235 0.000 0.798 1107 G HN 0.552 nan 8.290 nan 0.000 0.536 1108 L N 1.759 123.041 121.223 0.099 0.000 2.581 1108 L HA 0.277 4.571 4.340 -0.076 0.000 0.241 1108 L C -1.481 175.426 176.870 0.062 0.000 1.265 1108 L CA -1.536 53.343 54.840 0.064 0.000 0.954 1108 L CB 2.245 44.340 42.059 0.060 0.000 1.269 1108 L HN -0.032 nan 8.230 nan 0.000 0.475 1109 P HA -0.141 nan 4.420 nan 0.000 0.222 1109 P C 0.616 177.939 177.300 0.038 0.000 1.147 1109 P CA 1.201 64.334 63.100 0.055 0.000 0.790 1109 P CB 0.460 32.194 31.700 0.055 0.000 0.780 1110 E N -0.599 119.620 120.200 0.032 0.000 2.474 1110 E HA 0.210 4.515 4.350 -0.076 0.000 0.195 1110 E C 0.954 177.569 176.600 0.024 0.000 1.039 1110 E CA -0.194 56.220 56.400 0.024 0.000 0.881 1110 E CB 0.104 29.817 29.700 0.020 0.000 0.970 1110 E HN 0.146 nan 8.360 nan 0.000 0.486 1111 A N 1.625 124.462 122.820 0.029 0.000 2.483 1111 A HA -0.027 4.247 4.320 -0.076 0.000 0.238 1111 A C 1.161 178.752 177.584 0.013 0.000 1.070 1111 A CA 0.005 52.060 52.037 0.031 0.000 0.770 1111 A CB 0.507 19.532 19.000 0.042 0.000 1.008 1111 A HN 0.046 nan 8.150 nan 0.000 0.497 1112 E N 0.530 120.735 120.200 0.010 0.000 2.072 1112 E HA -0.072 4.233 4.350 -0.076 0.000 0.190 1112 E C 0.329 176.894 176.600 -0.058 0.000 0.982 1112 E CA 0.604 56.997 56.400 -0.012 0.000 0.803 1112 E CB 0.067 29.769 29.700 0.003 0.000 0.755 1112 E HN 0.441 nan 8.360 nan 0.000 0.453 1113 K N 1.724 122.058 120.400 -0.109 0.000 2.339 1113 K HA 0.088 4.362 4.320 -0.076 0.000 0.286 1113 K C -0.513 176.016 176.600 -0.119 0.000 1.050 1113 K CA 0.267 56.422 56.287 -0.220 0.000 0.956 1113 K CB 0.920 33.092 32.500 -0.546 0.000 0.990 1113 K HN 0.010 nan 8.250 nan 0.000 0.475 1114 Q N 3.020 122.762 119.800 -0.098 0.000 2.533 1114 Q HA 0.201 4.496 4.340 -0.076 0.000 0.251 1114 Q C -1.388 174.591 176.000 -0.036 0.000 0.966 1114 Q CA -0.600 55.179 55.803 -0.040 0.000 0.714 1114 Q CB 1.378 30.106 28.738 -0.016 0.000 1.284 1114 Q HN 0.516 nan 8.270 nan 0.000 0.478 1115 D N 2.040 122.429 120.400 -0.019 0.000 2.348 1115 D HA 0.016 4.611 4.640 -0.076 0.000 0.253 1115 D C 0.738 177.062 176.300 0.040 0.000 1.161 1115 D CA -0.206 53.795 54.000 0.001 0.000 0.876 1115 D CB 0.664 41.474 40.800 0.016 0.000 1.160 1115 D HN 0.258 nan 8.370 nan 0.000 0.459 1116 N N 2.934 121.659 118.700 0.043 0.000 3.111 1116 N HA -0.046 4.649 4.740 -0.076 0.000 0.302 1116 N C 0.472 176.084 175.510 0.169 0.000 1.317 1116 N CA -0.126 52.983 53.050 0.099 0.000 1.151 1116 N CB 0.143 38.646 38.487 0.026 0.000 1.456 1116 N HN 0.208 nan 8.380 nan 0.000 0.547 1117 V N 0.111 120.107 119.914 0.136 0.000 2.407 1117 V HA -0.127 3.948 4.120 -0.076 0.000 0.248 1117 V C 2.532 178.724 176.094 0.164 0.000 1.055 1117 V CA 2.116 64.494 62.300 0.131 0.000 1.049 1117 V CB -1.006 30.878 31.823 0.101 0.000 0.662 1117 V HN 0.586 nan 8.190 nan 0.000 0.455 1118 G N -0.747 108.171 108.800 0.197 0.000 2.418 1118 G HA2 -0.310 3.604 3.960 -0.076 0.000 0.217 1118 G HA3 -0.310 3.604 3.960 -0.076 0.000 0.217 1118 G C 1.562 176.542 174.900 0.134 0.000 1.158 1118 G CA 0.967 46.204 45.100 0.229 0.000 0.771 1118 G HN 0.474 nan 8.290 nan 0.000 0.545 1119 F N 1.519 121.457 119.950 -0.019 0.000 2.069 1119 F HA -0.045 4.436 4.527 -0.076 0.000 0.298 1119 F C 2.724 178.517 175.800 -0.011 0.000 1.113 1119 F CA 2.013 59.840 58.000 -0.288 0.000 1.214 1119 F CB 0.010 39.007 39.000 -0.006 0.000 0.978 1119 F HN 0.017 nan 8.300 nan 0.000 0.474 1120 K N 0.038 120.610 120.400 0.287 0.000 2.211 1120 K HA -0.099 4.176 4.320 -0.076 0.000 0.203 1120 K C 2.045 178.746 176.600 0.169 0.000 1.050 1120 K CA 1.191 57.594 56.287 0.193 0.000 0.945 1120 K CB -0.241 32.332 32.500 0.122 0.000 0.732 1120 K HN 0.380 nan 8.250 nan 0.000 0.451 1121 L N 1.373 122.677 121.223 0.134 0.000 2.179 1121 L HA -0.122 4.173 4.340 -0.076 0.000 0.208 1121 L C 2.473 179.441 176.870 0.162 0.000 1.096 1121 L CA 0.861 55.787 54.840 0.144 0.000 0.779 1121 L CB -0.358 41.812 42.059 0.184 0.000 0.922 1121 L HN 0.199 nan 8.230 nan 0.000 0.443 1122 K N 0.340 120.746 120.400 0.011 0.000 2.152 1122 K HA -0.214 4.060 4.320 -0.076 0.000 0.206 1122 K C 1.824 178.360 176.600 -0.106 0.000 1.048 1122 K CA 1.691 57.896 56.287 -0.136 0.000 0.933 1122 K CB -0.512 31.646 32.500 -0.570 0.000 0.721 1122 K HN 0.109 nan 8.250 nan 0.000 0.447 1123 F N 0.761 120.629 119.950 -0.137 0.000 2.408 1123 F HA -0.038 4.443 4.527 -0.076 0.000 0.300 1123 F C 1.989 177.795 175.800 0.010 0.000 1.090 1123 F CA 0.626 58.570 58.000 -0.093 0.000 1.427 1123 F CB -0.539 38.400 39.000 -0.102 0.000 1.070 1123 F HN 0.019 nan 8.300 nan 0.000 0.549 1124 F N 0.958 120.959 119.950 0.086 0.000 2.250 1124 F HA -0.151 4.331 4.527 -0.075 0.000 0.301 1124 F C 2.182 177.988 175.800 0.009 0.000 1.077 1124 F CA 0.964 58.987 58.000 0.039 0.000 1.348 1124 F CB -0.407 38.608 39.000 0.025 0.000 1.040 1124 F HN -0.072 nan 8.300 nan 0.000 0.509 1125 A N -0.527 122.289 122.820 -0.006 0.000 2.167 1125 A HA -0.037 4.238 4.320 -0.076 0.000 0.214 1125 A C 0.966 178.463 177.584 -0.146 0.000 1.151 1125 A CA 0.989 52.964 52.037 -0.103 0.000 0.735 1125 A CB -0.631 18.349 19.000 -0.033 0.000 0.802 1125 A HN 0.456 nan 8.150 nan 0.000 0.467 1126 D N -3.266 117.058 120.400 -0.126 0.000 2.746 1126 D HA -0.145 4.449 4.640 -0.076 0.000 0.236 1126 D C 0.966 177.206 176.300 -0.099 0.000 1.129 1126 D CA 1.918 55.855 54.000 -0.105 0.000 0.691 1126 D CB -1.442 39.275 40.800 -0.139 0.000 1.077 1126 D HN 1.297 nan 8.370 nan 0.000 0.432 1127 G N -1.110 107.616 108.800 -0.123 0.000 2.284 1127 G HA2 -0.292 3.622 3.960 -0.076 0.000 0.216 1127 G HA3 -0.292 3.622 3.960 -0.076 0.000 0.216 1127 G C 0.872 175.711 174.900 -0.101 0.000 1.009 1127 G CA 0.392 45.426 45.100 -0.109 0.000 0.625 1127 G HN 0.319 nan 8.290 nan 0.000 0.501 1128 M N 1.996 121.539 119.600 -0.094 0.000 2.568 1128 M HA 0.320 4.754 4.480 -0.076 0.000 0.226 1128 M C 0.648 176.910 176.300 -0.063 0.000 1.148 1128 M CA -0.201 55.057 55.300 -0.069 0.000 1.007 1128 M CB -0.877 31.688 32.600 -0.060 0.000 1.651 1128 M HN 0.438 nan 8.290 nan 0.000 0.488 1129 E N 0.917 121.060 120.200 -0.095 0.000 2.418 1129 E HA 0.219 4.523 4.350 -0.076 0.000 0.261 1129 E C -0.108 176.469 176.600 -0.038 0.000 1.070 1129 E CA 0.251 56.603 56.400 -0.080 0.000 0.931 1129 E CB 0.569 30.161 29.700 -0.180 0.000 0.954 1129 E HN 0.141 nan 8.360 nan 0.000 0.439 1130 S N 0.830 116.534 115.700 0.008 0.000 2.595 1130 S HA 0.407 4.831 4.470 -0.076 0.000 0.281 1130 S C -0.915 173.709 174.600 0.040 0.000 1.117 1130 S CA -1.004 57.202 58.200 0.011 0.000 0.873 1130 S CB 1.751 64.948 63.200 -0.005 0.000 1.108 1130 S HN 0.498 nan 8.310 nan 0.000 0.477 1131 E N 0.509 120.706 120.200 -0.005 0.000 2.187 1131 E HA 0.627 4.932 4.350 -0.076 0.000 0.268 1131 E C -1.101 175.445 176.600 -0.091 0.000 0.896 1131 E CA -0.236 56.109 56.400 -0.091 0.000 0.766 1131 E CB 1.780 31.424 29.700 -0.093 0.000 1.142 1131 E HN 0.567 nan 8.360 nan 0.000 0.408 1132 T N 2.187 116.668 114.554 -0.123 0.000 2.778 1132 T HA 0.319 4.624 4.350 -0.076 0.000 0.293 1132 T C -1.680 172.970 174.700 -0.083 0.000 1.144 1132 T CA -0.568 61.484 62.100 -0.079 0.000 1.010 1132 T CB 1.752 70.591 68.868 -0.050 0.000 1.325 1132 T HN 0.454 nan 8.240 nan 0.000 0.515 1133 Q N 1.782 121.555 119.800 -0.045 0.000 2.309 1133 Q HA 0.640 4.935 4.340 -0.076 0.000 0.270 1133 Q C -1.593 174.406 176.000 -0.002 0.000 1.023 1133 Q CA -0.504 55.281 55.803 -0.029 0.000 0.758 1133 Q CB 0.852 29.574 28.738 -0.028 0.000 1.247 1133 Q HN 0.609 nan 8.270 nan 0.000 0.455 1134 I N 3.559 124.146 120.570 0.029 0.000 2.355 1134 I HA 0.498 4.623 4.170 -0.076 0.000 0.288 1134 I C 0.242 176.358 176.117 -0.000 0.000 0.999 1134 I CA -0.716 60.607 61.300 0.039 0.000 1.163 1134 I CB 1.707 39.791 38.000 0.141 0.000 1.316 1134 I HN 0.933 nan 8.210 nan 0.000 0.454 1135 A N 4.990 127.792 122.820 -0.030 0.000 2.560 1135 A HA -0.079 4.195 4.320 -0.076 0.000 0.299 1135 A C 1.455 179.023 177.584 -0.027 0.000 1.484 1135 A CA 0.838 52.847 52.037 -0.046 0.000 0.749 1135 A CB -1.824 17.119 19.000 -0.094 0.000 1.072 1135 A HN 1.818 nan 8.150 nan 0.000 0.426 1136 G N -1.653 107.139 108.800 -0.014 0.000 2.168 1136 G HA2 -0.312 3.602 3.960 -0.076 0.000 0.263 1136 G HA3 -0.312 3.602 3.960 -0.076 0.000 0.263 1136 G C 0.204 175.105 174.900 0.001 0.000 0.977 1136 G CA 0.995 46.091 45.100 -0.008 0.000 0.659 1136 G HN 1.228 nan 8.290 nan 0.000 0.533 1137 R N 0.032 120.540 120.500 0.014 0.000 2.460 1137 R HA 0.431 4.726 4.340 -0.076 0.000 0.303 1137 R C 0.175 176.480 176.300 0.008 0.000 0.968 1137 R CA -0.802 55.321 56.100 0.038 0.000 0.889 1137 R CB 1.256 31.621 30.300 0.109 0.000 1.123 1137 R HN 0.161 nan 8.270 nan 0.000 0.455 1138 K N 2.938 123.324 120.400 -0.025 0.000 2.315 1138 K HA 0.160 4.434 4.320 -0.076 0.000 0.291 1138 K C -0.969 175.520 176.600 -0.186 0.000 1.074 1138 K CA -0.083 56.133 56.287 -0.118 0.000 0.936 1138 K CB 0.463 32.895 32.500 -0.114 0.000 1.049 1138 K HN 0.261 nan 8.250 nan 0.000 0.471 1139 V N 5.702 125.475 119.914 -0.236 0.000 2.540 1139 V HA 0.282 4.357 4.120 -0.076 0.000 0.302 1139 V C -0.952 174.931 176.094 -0.352 0.000 1.035 1139 V CA -0.967 61.193 62.300 -0.233 0.000 0.873 1139 V CB 1.154 32.916 31.823 -0.102 0.000 0.992 1139 V HN 0.551 nan 8.190 nan 0.000 0.428 1140 Y N 2.663 122.906 120.300 -0.094 0.000 2.308 1140 Y HA 0.474 4.979 4.550 -0.076 0.000 0.329 1140 Y C 0.640 176.456 175.900 -0.141 0.000 1.111 1140 Y CA -0.555 57.486 58.100 -0.099 0.000 1.179 1140 Y CB 1.068 39.477 38.460 -0.086 0.000 1.201 1140 Y HN 0.463 nan 8.280 nan 0.000 0.483 1141 K N 2.443 122.870 120.400 0.045 0.000 2.183 1141 K HA 0.577 4.851 4.320 -0.076 0.000 0.274 1141 K C -1.242 175.385 176.600 0.046 0.000 1.009 1141 K CA -0.702 55.585 56.287 0.000 0.000 0.888 1141 K CB 1.466 33.961 32.500 -0.008 0.000 1.078 1141 K HN 0.339 nan 8.250 nan 0.000 0.459 1142 V N 4.838 124.801 119.914 0.082 0.000 2.327 1142 V HA 0.190 4.264 4.120 -0.076 0.000 0.272 1142 V C -2.418 173.776 176.094 0.166 0.000 1.019 1142 V CA -2.228 60.168 62.300 0.159 0.000 0.814 1142 V CB 0.844 32.857 31.823 0.316 0.000 1.040 1142 V HN 0.641 nan 8.190 nan 0.000 0.440 1143 P HA 0.175 nan 4.420 nan 0.000 0.258 1143 P C -0.190 177.160 177.300 0.084 0.000 1.187 1143 P CA 0.723 63.861 63.100 0.064 0.000 0.767 1143 P CB 0.289 31.998 31.700 0.016 0.000 0.770 1144 I N -0.995 119.635 120.570 0.100 0.000 3.457 1144 I HA 0.402 4.526 4.170 -0.076 0.000 0.307 1144 I C 1.384 177.532 176.117 0.052 0.000 1.138 1144 I CA -1.347 60.016 61.300 0.106 0.000 0.974 1144 I CB 0.945 39.040 38.000 0.158 0.000 1.324 1144 I HN 0.042 nan 8.210 nan 0.000 0.485 1145 M N 0.527 120.152 119.600 0.041 0.000 2.149 1145 M HA -0.170 4.265 4.480 -0.076 0.000 0.261 1145 M C 1.869 178.168 176.300 -0.001 0.000 1.064 1145 M CA 2.366 57.673 55.300 0.012 0.000 1.102 1145 M CB -0.614 31.989 32.600 0.005 0.000 1.369 1145 M HN 0.790 nan 8.290 nan 0.000 0.408 1146 E N -0.185 120.014 120.200 -0.002 0.000 2.371 1146 E HA 0.245 4.549 4.350 -0.076 0.000 0.194 1146 E C 1.040 177.636 176.600 -0.007 0.000 1.012 1146 E CA 0.593 56.980 56.400 -0.022 0.000 0.860 1146 E CB 0.233 29.906 29.700 -0.044 0.000 0.811 1146 E HN 0.451 nan 8.360 nan 0.000 0.502 1147 G N 0.430 109.239 108.800 0.015 0.000 2.247 1147 G HA2 -0.097 3.818 3.960 -0.076 0.000 0.229 1147 G HA3 -0.097 3.818 3.960 -0.076 0.000 0.229 1147 G C -1.788 173.141 174.900 0.049 0.000 1.345 1147 G CA -0.353 44.760 45.100 0.021 0.000 1.100 1147 G HN 0.101 nan 8.290 nan 0.000 0.473 1148 D N 0.641 121.070 120.400 0.048 0.000 2.232 1148 D HA 0.512 5.106 4.640 -0.076 0.000 0.242 1148 D C -0.715 175.649 176.300 0.107 0.000 1.093 1148 D CA -0.030 54.009 54.000 0.065 0.000 0.845 1148 D CB 1.602 42.416 40.800 0.023 0.000 1.124 1148 D HN 0.282 nan 8.370 nan 0.000 0.467 1149 F N 3.335 123.287 119.950 0.003 0.000 2.445 1149 F HA 0.251 4.733 4.527 -0.076 0.000 0.359 1149 F C -1.011 174.776 175.800 -0.021 0.000 1.101 1149 F CA -0.708 57.284 58.000 -0.014 0.000 1.177 1149 F CB 0.390 39.387 39.000 -0.006 0.000 1.110 1149 F HN 0.082 nan 8.300 nan 0.000 0.522 1150 L N 6.443 127.198 121.223 -0.780 0.000 2.272 1150 L HA 0.668 4.962 4.340 -0.076 0.000 0.289 1150 L C -0.388 175.820 176.870 -1.104 0.000 1.032 1150 L CA -0.645 53.772 54.840 -0.706 0.000 0.810 1150 L CB 1.044 42.870 42.059 -0.387 0.000 1.205 1150 L HN 0.767 nan 8.230 nan 0.000 0.422 1151 A N 3.320 125.689 122.820 -0.752 0.000 2.353 1151 A HA 0.523 4.797 4.320 -0.076 0.000 0.299 1151 A C -0.294 177.151 177.584 -0.232 0.000 1.089 1151 A CA -0.626 51.088 52.037 -0.539 0.000 0.736 1151 A CB 0.805 19.629 19.000 -0.294 0.000 1.195 1151 A HN 0.654 nan 8.150 nan 0.000 0.447 1152 E N 1.525 121.568 120.200 -0.261 0.000 2.398 1152 E HA -0.004 4.301 4.350 -0.076 0.000 0.263 1152 E C 0.898 177.553 176.600 0.091 0.000 1.046 1152 E CA 0.113 56.476 56.400 -0.061 0.000 0.908 1152 E CB 0.655 30.369 29.700 0.024 0.000 0.963 1152 E HN 0.793 nan 8.360 nan 0.000 0.431 1153 E N 2.912 123.195 120.200 0.138 0.000 2.058 1153 E HA -0.208 4.097 4.350 -0.076 0.000 0.194 1153 E C -0.133 176.607 176.600 0.234 0.000 0.997 1153 E CA 1.074 57.664 56.400 0.317 0.000 0.801 1153 E CB 0.215 30.066 29.700 0.251 0.000 0.746 1153 E HN 0.350 nan 8.360 nan 0.000 0.450 1154 N N -0.215 118.571 118.700 0.143 0.000 2.335 1154 N HA 0.370 5.065 4.740 -0.076 0.000 0.304 1154 N C -1.015 174.552 175.510 0.095 0.000 1.135 1154 N CA -0.443 52.671 53.050 0.107 0.000 0.817 1154 N CB 1.807 40.339 38.487 0.074 0.000 1.294 1154 N HN 0.017 nan 8.380 nan 0.000 0.497 1155 I N 0.617 121.236 120.570 0.082 0.000 2.382 1155 I HA 0.328 4.453 4.170 -0.076 0.000 0.286 1155 I C 0.910 177.067 176.117 0.066 0.000 1.002 1155 I CA -0.764 60.586 61.300 0.082 0.000 1.135 1155 I CB 1.672 39.722 38.000 0.084 0.000 1.288 1155 I HN 0.401 nan 8.210 nan 0.000 0.448 1156 G N 4.558 113.401 108.800 0.070 0.000 2.483 1156 G HA2 0.629 4.543 3.960 -0.076 0.000 0.248 1156 G HA3 0.629 4.543 3.960 -0.076 0.000 0.248 1156 G C -0.673 174.271 174.900 0.074 0.000 1.248 1156 G CA -0.173 44.961 45.100 0.057 0.000 0.838 1156 G HN 0.753 nan 8.290 nan 0.000 0.566 1157 A N 1.278 124.145 122.820 0.078 0.000 2.455 1157 A HA 0.754 5.029 4.320 -0.076 0.000 0.300 1157 A C -0.313 177.399 177.584 0.214 0.000 1.040 1157 A CA -0.670 51.461 52.037 0.158 0.000 0.697 1157 A CB 1.189 20.323 19.000 0.224 0.000 1.265 1157 A HN 1.379 nan 8.150 nan 0.000 0.407 1158 I N -1.392 119.310 120.570 0.220 0.000 3.294 1158 I HA 0.931 5.055 4.170 -0.076 0.000 0.311 1158 I C 0.121 176.339 176.117 0.169 0.000 1.111 1158 I CA -1.426 60.002 61.300 0.213 0.000 0.976 1158 I CB 2.201 40.271 38.000 0.117 0.000 1.260 1158 I HN 0.693 nan 8.210 nan 0.000 0.474 1159 A N 1.469 124.365 122.820 0.126 0.000 2.316 1159 A HA 0.751 5.026 4.320 -0.076 0.000 0.311 1159 A C 0.152 177.767 177.584 0.052 0.000 1.339 1159 A CA 0.208 52.279 52.037 0.055 0.000 0.960 1159 A CB -0.506 18.537 19.000 0.071 0.000 1.152 1159 A HN 1.068 nan 8.150 nan 0.000 0.547 1160 G N 1.097 109.909 108.800 0.021 0.000 3.122 1160 G HA2 0.664 4.579 3.960 -0.076 0.000 0.180 1160 G HA3 0.664 4.579 3.960 -0.076 0.000 0.180 1160 G C -0.593 174.264 174.900 -0.072 0.000 1.279 1160 G CA -0.721 44.362 45.100 -0.028 0.000 0.987 1160 G HN 0.651 nan 8.290 nan 0.000 0.589 1161 I N 0.379 120.883 120.570 -0.110 0.000 2.533 1161 I HA 0.599 4.723 4.170 -0.076 0.000 0.290 1161 I C -0.193 175.931 176.117 0.012 0.000 1.056 1161 I CA -0.880 60.345 61.300 -0.126 0.000 1.057 1161 I CB 2.365 40.181 38.000 -0.306 0.000 1.240 1161 I HN 0.529 nan 8.210 nan 0.000 0.423 1162 A N 3.741 126.637 122.820 0.127 0.000 2.331 1162 A HA 0.793 5.067 4.320 -0.076 0.000 0.320 1162 A C 0.542 178.279 177.584 0.256 0.000 1.138 1162 A CA 0.109 52.245 52.037 0.165 0.000 0.790 1162 A CB 1.181 20.282 19.000 0.168 0.000 1.206 1162 A HN 1.220 nan 8.150 nan 0.000 0.470 1163 G N 1.459 110.373 108.800 0.191 0.000 2.168 1163 G HA2 0.115 4.030 3.960 -0.076 0.000 0.197 1163 G HA3 0.115 4.030 3.960 -0.076 0.000 0.197 1163 G C 0.758 175.750 174.900 0.152 0.000 0.997 1163 G CA 0.138 45.371 45.100 0.221 0.000 0.658 1163 G HN 1.875 nan 8.290 nan 0.000 0.513 1164 G N 0.296 109.142 108.800 0.076 0.000 2.414 1164 G HA2 0.542 4.456 3.960 -0.076 0.000 0.236 1164 G HA3 0.542 4.456 3.960 -0.076 0.000 0.236 1164 G C 0.092 174.996 174.900 0.006 0.000 1.293 1164 G CA 0.930 46.001 45.100 -0.050 0.000 0.869 1164 G HN 1.698 nan 8.290 nan 0.000 0.556 1165 N N -0.733 118.017 118.700 0.083 0.000 3.116 1165 N HA 0.724 5.418 4.740 -0.076 0.000 0.244 1165 N C -0.972 174.723 175.510 0.308 0.000 1.485 1165 N CA -1.054 52.051 53.050 0.092 0.000 0.884 1165 N CB 1.306 39.821 38.487 0.047 0.000 1.415 1165 N HN 0.777 nan 8.380 nan 0.000 0.524 1166 F N -3.141 116.848 119.950 0.065 0.000 2.693 1166 F HA 0.781 5.259 4.527 -0.081 0.000 0.309 1166 F C -2.046 173.842 175.800 0.147 0.000 1.129 1166 F CA -1.315 56.804 58.000 0.198 0.000 0.948 1166 F CB 1.052 40.149 39.000 0.163 0.000 1.315 1166 F HN 0.305 nan 8.300 nan 0.000 0.447 1167 F N 2.629 122.716 119.950 0.229 0.000 2.450 1167 F HA 0.695 5.177 4.527 -0.075 0.000 0.332 1167 F C -0.128 175.827 175.800 0.258 0.000 1.093 1167 F CA -1.420 56.620 58.000 0.066 0.000 1.003 1167 F CB 1.864 40.886 39.000 0.037 0.000 1.151 1167 F HN 0.367 nan 8.300 nan 0.000 0.474 1168 I N 3.980 124.666 120.570 0.193 0.000 2.382 1168 I HA 0.280 4.404 4.170 -0.076 0.000 0.286 1168 I C -1.177 175.035 176.117 0.158 0.000 1.002 1168 I CA -0.529 60.941 61.300 0.282 0.000 1.135 1168 I CB 0.924 39.051 38.000 0.210 0.000 1.288 1168 I HN 0.289 nan 8.210 nan 0.000 0.448 1169 F N 4.206 124.267 119.950 0.186 0.000 2.405 1169 F HA 0.671 5.202 4.527 0.006 0.000 0.355 1169 F C 0.892 176.759 175.800 0.111 0.000 1.121 1169 F CA -0.566 57.519 58.000 0.143 0.000 1.112 1169 F CB 1.665 40.742 39.000 0.128 0.000 1.126 1169 F HN 0.383 nan 8.300 nan 0.000 0.481 1170 G N 1.440 110.378 108.800 0.229 0.000 2.569 1170 G HA2 0.355 4.269 3.960 -0.076 0.000 0.300 1170 G HA3 0.355 4.269 3.960 -0.076 0.000 0.300 1170 G C -0.145 174.833 174.900 0.129 0.000 1.269 1170 G CA -0.785 44.414 45.100 0.165 0.000 0.959 1170 G HN 0.520 nan 8.290 nan 0.000 0.478 1171 D N -1.119 119.340 120.400 0.099 0.000 2.269 1171 D HA -0.013 4.582 4.640 -0.076 0.000 0.208 1171 D C 1.213 177.551 176.300 0.064 0.000 0.963 1171 D CA 1.117 55.161 54.000 0.075 0.000 0.864 1171 D CB 0.048 40.882 40.800 0.057 0.000 0.936 1171 D HN 0.474 nan 8.370 nan 0.000 0.505 1172 S N -2.378 113.364 115.700 0.070 0.000 2.651 1172 S HA 0.277 4.702 4.470 -0.076 0.000 0.279 1172 S C 0.644 175.295 174.600 0.085 0.000 1.148 1172 S CA -0.779 57.459 58.200 0.063 0.000 0.837 1172 S CB 2.081 65.313 63.200 0.053 0.000 1.138 1172 S HN -0.005 nan 8.310 nan 0.000 0.478 1173 Q N -0.328 119.524 119.800 0.086 0.000 2.096 1173 Q HA -0.113 4.182 4.340 -0.076 0.000 0.204 1173 Q C 1.310 177.417 176.000 0.178 0.000 0.982 1173 Q CA 1.591 57.480 55.803 0.144 0.000 0.850 1173 Q CB -0.234 28.575 28.738 0.118 0.000 0.901 1173 Q HN 0.744 nan 8.270 nan 0.000 0.422 1174 M N -0.526 119.133 119.600 0.098 0.000 2.419 1174 M HA -0.037 4.398 4.480 -0.076 0.000 0.264 1174 M C 1.960 178.289 176.300 0.048 0.000 1.082 1174 M CA 1.060 56.395 55.300 0.058 0.000 1.119 1174 M CB -0.855 31.766 32.600 0.035 0.000 1.398 1174 M HN 0.142 nan 8.290 nan 0.000 0.453 1175 T N 1.417 116.012 114.554 0.067 0.000 2.674 1175 T HA -0.057 4.247 4.350 -0.076 0.000 0.265 1175 T C 1.947 176.697 174.700 0.083 0.000 1.039 1175 T CA 1.810 63.949 62.100 0.066 0.000 1.150 1175 T CB -0.235 68.677 68.868 0.072 0.000 0.864 1175 T HN 0.467 nan 8.240 nan 0.000 0.427 1176 A N 1.082 123.985 122.820 0.138 0.000 1.930 1176 A HA 0.021 4.295 4.320 -0.076 0.000 0.217 1176 A C 2.224 179.870 177.584 0.104 0.000 1.175 1176 A CA 1.138 53.294 52.037 0.198 0.000 0.627 1176 A CB -0.738 18.448 19.000 0.309 0.000 0.815 1176 A HN 0.390 nan 8.150 nan 0.000 0.443 1177 L N -0.190 121.012 121.223 -0.035 0.000 2.093 1177 L HA -0.075 4.219 4.340 -0.076 0.000 0.208 1177 L C 2.371 179.105 176.870 -0.228 0.000 1.085 1177 L CA 2.722 57.293 54.840 -0.448 0.000 0.755 1177 L CB -1.092 40.713 42.059 -0.423 0.000 0.904 1177 L HN 0.354 nan 8.230 nan 0.000 0.435 1178 T N -0.176 114.322 114.554 -0.092 0.000 2.821 1178 T HA -0.100 4.204 4.350 -0.076 0.000 0.267 1178 T C 1.922 176.606 174.700 -0.028 0.000 1.046 1178 T CA 1.170 63.239 62.100 -0.053 0.000 1.139 1178 T CB -0.448 68.410 68.868 -0.017 0.000 0.871 1178 T HN 0.506 nan 8.240 nan 0.000 0.454 1179 A N 1.584 124.405 122.820 0.002 0.000 1.877 1179 A HA 0.144 4.418 4.320 -0.076 0.000 0.216 1179 A C 2.662 180.266 177.584 0.033 0.000 1.186 1179 A CA 1.834 53.898 52.037 0.045 0.000 0.620 1179 A CB -1.159 17.897 19.000 0.093 0.000 0.822 1179 A HN 0.500 nan 8.150 nan 0.000 0.443 1180 A N -0.263 122.535 122.820 -0.037 0.000 1.902 1180 A HA -0.200 4.074 4.320 -0.076 0.000 0.217 1180 A C 2.040 179.568 177.584 -0.094 0.000 1.181 1180 A CA 1.921 53.898 52.037 -0.100 0.000 0.623 1180 A CB -0.622 18.233 19.000 -0.240 0.000 0.818 1180 A HN 0.707 nan 8.150 nan 0.000 0.443 1181 E N -0.027 120.106 120.200 -0.112 0.000 2.058 1181 E HA -0.171 4.133 4.350 -0.076 0.000 0.194 1181 E C 2.079 178.661 176.600 -0.030 0.000 0.997 1181 E CA 1.351 57.704 56.400 -0.079 0.000 0.801 1181 E CB -0.318 29.333 29.700 -0.082 0.000 0.746 1181 E HN 0.516 nan 8.360 nan 0.000 0.450 1182 A N 0.960 123.775 122.820 -0.008 0.000 1.972 1182 A HA -0.059 4.215 4.320 -0.076 0.000 0.219 1182 A C 2.365 179.976 177.584 0.044 0.000 1.169 1182 A CA 1.736 53.784 52.037 0.017 0.000 0.635 1182 A CB -0.706 18.309 19.000 0.026 0.000 0.810 1182 A HN 0.447 nan 8.150 nan 0.000 0.446 1183 A N -0.544 122.319 122.820 0.071 0.000 1.873 1183 A HA 0.017 4.292 4.320 -0.076 0.000 0.215 1183 A C 2.207 179.841 177.584 0.083 0.000 1.186 1183 A CA 1.714 53.831 52.037 0.134 0.000 0.616 1183 A CB -0.925 18.229 19.000 0.256 0.000 0.823 1183 A HN 0.378 nan 8.150 nan 0.000 0.442 1184 V N 0.693 120.621 119.914 0.024 0.000 2.407 1184 V HA -0.237 3.838 4.120 -0.076 0.000 0.248 1184 V C 2.151 178.253 176.094 0.014 0.000 1.055 1184 V CA 2.269 64.572 62.300 0.005 0.000 1.049 1184 V CB -0.821 30.986 31.823 -0.028 0.000 0.662 1184 V HN 0.482 nan 8.190 nan 0.000 0.455 1185 D N 0.023 120.429 120.400 0.011 0.000 2.117 1185 D HA -0.132 4.463 4.640 -0.076 0.000 0.197 1185 D C 2.301 178.614 176.300 0.021 0.000 0.987 1185 D CA 1.902 55.909 54.000 0.011 0.000 0.829 1185 D CB -0.318 40.485 40.800 0.006 0.000 0.961 1185 D HN 0.424 nan 8.370 nan 0.000 0.460 1186 T N 0.749 115.322 114.554 0.032 0.000 2.777 1186 T HA -0.023 4.282 4.350 -0.076 0.000 0.266 1186 T C 2.229 176.950 174.700 0.035 0.000 1.040 1186 T CA 0.453 62.574 62.100 0.035 0.000 1.141 1186 T CB -0.079 68.817 68.868 0.046 0.000 0.868 1186 T HN 0.155 nan 8.240 nan 0.000 0.444 1187 I N 1.431 122.027 120.570 0.043 0.000 2.493 1187 I HA -0.073 4.051 4.170 -0.076 0.000 0.254 1187 I C 2.674 178.806 176.117 0.025 0.000 1.160 1187 I CA 0.716 62.038 61.300 0.036 0.000 1.445 1187 I CB -0.313 37.715 38.000 0.047 0.000 1.086 1187 I HN 0.170 nan 8.210 nan 0.000 0.433 1188 A N 0.159 122.994 122.820 0.024 0.000 2.209 1188 A HA -0.101 4.173 4.320 -0.076 0.000 0.212 1188 A C 1.991 179.593 177.584 0.029 0.000 1.158 1188 A CA 0.950 53.002 52.037 0.026 0.000 0.742 1188 A CB -0.460 18.552 19.000 0.021 0.000 0.790 1188 A HN 0.453 nan 8.150 nan 0.000 0.472 1189 E N -0.652 119.563 120.200 0.025 0.000 2.385 1189 E HA 0.157 4.462 4.350 -0.076 0.000 0.194 1189 E C -0.264 176.349 176.600 0.022 0.000 1.013 1189 E CA -0.047 56.369 56.400 0.025 0.000 0.866 1189 E CB 0.081 29.793 29.700 0.021 0.000 0.832 1189 E HN 0.551 nan 8.360 nan 0.000 0.500 1190 L N 1.552 122.784 121.223 0.015 0.000 2.325 1190 L HA 0.292 4.587 4.340 -0.076 0.000 0.279 1190 L C 0.241 177.105 176.870 -0.009 0.000 1.054 1190 L CA -0.652 54.189 54.840 0.002 0.000 0.804 1190 L CB 1.365 43.422 42.059 -0.003 0.000 1.200 1190 L HN -0.022 nan 8.230 nan 0.000 0.436 1191 E N 1.185 121.368 120.200 -0.028 0.000 2.354 1191 E HA 0.346 4.651 4.350 -0.076 0.000 0.269 1191 E C 0.880 177.443 176.600 -0.063 0.000 1.036 1191 E CA 0.814 57.176 56.400 -0.063 0.000 0.876 1191 E CB 0.753 30.400 29.700 -0.089 0.000 1.009 1191 E HN 0.758 nan 8.360 nan 0.000 0.416 1192 G N 2.915 111.669 108.800 -0.077 0.000 2.213 1192 G HA2 -0.240 3.675 3.960 -0.076 0.000 0.226 1192 G HA3 -0.240 3.675 3.960 -0.076 0.000 0.226 1192 G C 0.106 174.979 174.900 -0.046 0.000 0.992 1192 G CA 0.247 45.309 45.100 -0.064 0.000 0.632 1192 G HN 0.826 nan 8.290 nan 0.000 0.511 1193 T N -0.602 113.932 114.554 -0.034 0.000 2.907 1193 T HA 0.787 5.092 4.350 -0.076 0.000 0.292 1193 T C -0.045 174.650 174.700 -0.007 0.000 1.043 1193 T CA -0.266 61.818 62.100 -0.027 0.000 1.003 1193 T CB 2.712 71.560 68.868 -0.033 0.000 1.084 1193 T HN 1.372 nan 8.240 nan 0.000 0.483 1194 I N -1.268 119.300 120.570 -0.004 0.000 3.108 1194 I HA 0.868 4.992 4.170 -0.076 0.000 0.312 1194 I C -0.655 175.467 176.117 0.010 0.000 1.095 1194 I CA -1.243 60.062 61.300 0.009 0.000 1.000 1194 I CB 2.700 40.708 38.000 0.012 0.000 1.229 1194 I HN 0.796 nan 8.210 nan 0.000 0.454 1195 T N -0.730 113.835 114.554 0.018 0.000 3.068 1195 T HA 0.463 4.767 4.350 -0.076 0.000 0.364 1195 T C -2.136 172.599 174.700 0.058 0.000 1.161 1195 T CA -1.366 60.752 62.100 0.030 0.000 1.155 1195 T CB 0.955 69.828 68.868 0.008 0.000 1.060 1195 T HN 0.575 nan 8.240 nan 0.000 0.513 1196 P HA 0.120 nan 4.420 nan 0.000 0.229 1196 P C 0.302 177.585 177.300 -0.028 0.000 1.160 1196 P CA -0.149 62.961 63.100 0.017 0.000 0.777 1196 P CB 0.057 31.747 31.700 -0.017 0.000 0.814 1197 F N 1.766 121.693 119.950 -0.039 0.000 2.435 1197 F HA 0.243 4.728 4.527 -0.071 0.000 0.316 1197 F C -1.478 174.305 175.800 -0.028 0.000 1.220 1197 F CA -2.096 55.885 58.000 -0.033 0.000 1.241 1197 F CB -0.839 38.130 39.000 -0.051 0.000 1.234 1197 F HN -0.263 nan 8.300 nan 0.000 0.569 1198 P HA 0.127 nan 4.420 nan 0.000 0.261 1198 P C 0.270 177.597 177.300 0.045 0.000 1.203 1198 P CA 0.875 64.007 63.100 0.054 0.000 0.767 1198 P CB 0.107 31.843 31.700 0.060 0.000 0.785 1199 G N 3.512 112.321 108.800 0.015 0.000 2.187 1199 G HA2 -0.169 3.745 3.960 -0.076 0.000 0.261 1199 G HA3 -0.169 3.745 3.960 -0.076 0.000 0.261 1199 G C 0.922 175.818 174.900 -0.006 0.000 1.000 1199 G CA 0.569 45.666 45.100 -0.005 0.000 0.718 1199 G HN 1.021 nan 8.290 nan 0.000 0.519 1200 G N -1.691 107.125 108.800 0.026 0.000 2.179 1200 G HA2 -0.212 3.702 3.960 -0.076 0.000 0.260 1200 G HA3 -0.212 3.702 3.960 -0.076 0.000 0.260 1200 G C 0.215 175.118 174.900 0.006 0.000 0.977 1200 G CA 0.552 45.666 45.100 0.024 0.000 0.641 1200 G HN 1.443 nan 8.290 nan 0.000 0.533 1201 I N 0.736 121.322 120.570 0.026 0.000 2.466 1201 I HA 0.433 4.558 4.170 -0.076 0.000 0.289 1201 I C 0.172 176.284 176.117 -0.008 0.000 1.026 1201 I CA -1.300 59.965 61.300 -0.059 0.000 1.078 1201 I CB 2.349 40.269 38.000 -0.133 0.000 1.249 1201 I HN -0.124 nan 8.210 nan 0.000 0.429 1202 V N 5.568 125.339 119.914 -0.238 0.000 2.408 1202 V HA 0.244 4.319 4.120 -0.076 0.000 0.267 1202 V C 1.021 177.045 176.094 -0.118 0.000 1.047 1202 V CA 0.002 62.061 62.300 -0.402 0.000 0.937 1202 V CB 0.956 32.269 31.823 -0.849 0.000 0.999 1202 V HN 0.979 nan 8.190 nan 0.000 0.472 1203 A N 3.654 126.485 122.820 0.019 0.000 2.169 1203 A HA 0.075 4.349 4.320 -0.076 0.000 0.210 1203 A C 2.087 179.604 177.584 -0.112 0.000 1.168 1203 A CA 0.963 53.019 52.037 0.031 0.000 0.813 1203 A CB 0.051 19.152 19.000 0.168 0.000 0.861 1203 A HN 0.837 nan 8.150 nan 0.000 0.481 1204 S N -1.187 114.463 115.700 -0.083 0.000 2.433 1204 S HA 0.472 4.896 4.470 -0.076 0.000 0.216 1204 S C 1.287 175.833 174.600 -0.091 0.000 1.031 1204 S CA 0.918 59.088 58.200 -0.051 0.000 0.931 1204 S CB -0.952 62.267 63.200 0.033 0.000 0.875 1204 S HN 2.008 nan 8.310 nan 0.000 0.553 1205 G N 0.427 109.140 108.800 -0.145 0.000 2.829 1205 G HA2 0.203 4.117 3.960 -0.076 0.000 0.628 1205 G HA3 0.203 4.117 3.960 -0.076 0.000 0.628 1205 G C -0.431 174.458 174.900 -0.018 0.000 1.412 1205 G CA -0.126 44.895 45.100 -0.132 0.000 0.864 1205 G HN 1.757 nan 8.290 nan 0.000 0.544 1206 S N -0.911 114.801 115.700 0.020 0.000 2.542 1206 S HA 0.698 5.122 4.470 -0.076 0.000 0.276 1206 S C -0.652 174.018 174.600 0.117 0.000 1.148 1206 S CA 0.355 58.604 58.200 0.082 0.000 0.886 1206 S CB 1.360 64.628 63.200 0.113 0.000 1.109 1206 S HN 1.635 nan 8.310 nan 0.000 0.458 1207 K N 1.701 122.178 120.400 0.127 0.000 2.267 1207 K HA 0.745 5.019 4.320 -0.076 0.000 0.246 1207 K C -0.625 176.075 176.600 0.165 0.000 0.954 1207 K CA -0.803 55.581 56.287 0.162 0.000 0.824 1207 K CB 1.653 34.230 32.500 0.129 0.000 1.167 1207 K HN 0.378 nan 8.250 nan 0.000 0.431 1208 S N 1.174 117.002 115.700 0.213 0.000 2.510 1208 S HA 0.415 4.840 4.470 -0.076 0.000 0.279 1208 S C 0.515 175.164 174.600 0.082 0.000 1.284 1208 S CA 0.543 58.824 58.200 0.135 0.000 1.059 1208 S CB 0.293 63.573 63.200 0.134 0.000 0.901 1208 S HN 1.014 nan 8.310 nan 0.000 0.491 1209 G N 2.599 111.426 108.800 0.044 0.000 2.562 1209 G HA2 0.188 4.102 3.960 -0.076 0.000 0.250 1209 G HA3 0.188 4.102 3.960 -0.076 0.000 0.250 1209 G C -0.253 174.654 174.900 0.012 0.000 1.269 1209 G CA -0.108 45.004 45.100 0.020 0.000 0.919 1209 G HN 1.591 nan 8.290 nan 0.000 0.574 1210 A N -1.984 120.836 122.820 0.001 0.000 2.599 1210 A HA 0.787 5.062 4.320 -0.076 0.000 0.290 1210 A C 0.458 178.026 177.584 -0.025 0.000 1.101 1210 A CA 0.570 52.597 52.037 -0.017 0.000 0.674 1210 A CB 0.821 19.795 19.000 -0.043 0.000 1.277 1210 A HN 0.901 nan 8.150 nan 0.000 0.419 1211 N N -0.427 118.239 118.700 -0.057 0.000 2.482 1211 N HA 0.020 4.714 4.740 -0.076 0.000 0.179 1211 N C 1.204 176.647 175.510 -0.111 0.000 1.039 1211 N CA 1.311 54.322 53.050 -0.065 0.000 0.884 1211 N CB 0.304 38.754 38.487 -0.062 0.000 1.113 1211 N HN 0.643 nan 8.380 nan 0.000 0.440 1212 K N -0.148 120.118 120.400 -0.223 0.000 2.240 1212 K HA 0.120 4.395 4.320 -0.076 0.000 0.202 1212 K C -0.386 176.022 176.600 -0.320 0.000 1.053 1212 K CA 0.558 56.622 56.287 -0.371 0.000 0.973 1212 K CB 0.150 32.239 32.500 -0.685 0.000 0.924 1212 K HN -0.073 nan 8.250 nan 0.000 0.477 1213 Y N 1.722 122.000 120.300 -0.038 0.000 2.958 1213 Y HA 0.321 4.826 4.550 -0.076 0.000 0.336 1213 Y C 0.193 175.972 175.900 -0.203 0.000 1.160 1213 Y CA -0.826 57.211 58.100 -0.105 0.000 1.292 1213 Y CB 1.007 39.278 38.460 -0.316 0.000 1.306 1213 Y HN -0.077 nan 8.280 nan 0.000 0.547 1214 K N 0.842 121.306 120.400 0.108 0.000 2.515 1214 K HA -0.080 4.194 4.320 -0.076 0.000 0.196 1214 K C 1.378 178.039 176.600 0.102 0.000 1.038 1214 K CA 0.707 57.036 56.287 0.070 0.000 0.967 1214 K CB -0.432 32.122 32.500 0.090 0.000 0.780 1214 K HN 0.687 nan 8.250 nan 0.000 0.483 1215 F N -0.770 119.238 119.950 0.096 0.000 2.407 1215 F HA 0.126 4.608 4.527 -0.074 0.000 0.299 1215 F C 0.268 176.103 175.800 0.059 0.000 1.097 1215 F CA -0.176 57.863 58.000 0.065 0.000 1.422 1215 F CB -0.427 38.605 39.000 0.053 0.000 1.067 1215 F HN -0.252 nan 8.300 nan 0.000 0.539 1216 L N 2.077 123.006 121.223 -0.490 0.000 2.397 1216 L HA 0.144 4.438 4.340 -0.076 0.000 0.271 1216 L C 1.796 178.607 176.870 -0.098 0.000 1.148 1216 L CA -0.289 54.350 54.840 -0.334 0.000 0.825 1216 L CB 0.862 42.642 42.059 -0.465 0.000 1.117 1216 L HN 0.062 nan 8.230 nan 0.000 0.456 1217 K N 1.933 122.313 120.400 -0.033 0.000 2.167 1217 K HA 0.107 4.381 4.320 -0.076 0.000 0.203 1217 K C 0.116 176.718 176.600 0.003 0.000 1.052 1217 K CA 0.708 56.994 56.287 -0.003 0.000 0.956 1217 K CB 0.360 32.867 32.500 0.013 0.000 0.735 1217 K HN 0.730 nan 8.250 nan 0.000 0.451 1218 A N 0.354 123.176 122.820 0.003 0.000 2.547 1218 A HA 0.491 4.766 4.320 -0.076 0.000 0.297 1218 A C -0.715 176.884 177.584 0.025 0.000 1.056 1218 A CA -0.659 51.398 52.037 0.033 0.000 0.688 1218 A CB 1.466 20.502 19.000 0.061 0.000 1.282 1218 A HN 0.168 nan 8.150 nan 0.000 0.400 1219 T N -1.091 113.489 114.554 0.044 0.000 2.865 1219 T HA 0.804 5.109 4.350 -0.076 0.000 0.294 1219 T C 0.191 174.929 174.700 0.063 0.000 1.119 1219 T CA -0.132 61.995 62.100 0.046 0.000 1.007 1219 T CB 1.266 70.157 68.868 0.038 0.000 1.225 1219 T HN 2.167 nan 8.240 nan 0.000 0.515 1220 A N 1.302 124.159 122.820 0.062 0.000 2.548 1220 A HA 0.221 4.496 4.320 -0.076 0.000 0.247 1220 A C 0.500 178.133 177.584 0.080 0.000 1.067 1220 A CA -0.162 51.913 52.037 0.065 0.000 0.757 1220 A CB -0.996 18.038 19.000 0.056 0.000 0.996 1220 A HN 0.899 nan 8.150 nan 0.000 0.504 1221 N N 2.135 120.900 118.700 0.109 0.000 2.406 1221 N HA 0.019 4.714 4.740 -0.076 0.000 0.269 1221 N C 1.480 177.092 175.510 0.170 0.000 1.210 1221 N CA 0.017 53.167 53.050 0.167 0.000 0.966 1221 N CB 0.474 39.115 38.487 0.257 0.000 1.293 1221 N HN 0.739 nan 8.380 nan 0.000 0.491 1222 E N 4.449 124.707 120.200 0.098 0.000 2.273 1222 E HA -0.259 4.045 4.350 -0.076 0.000 0.198 1222 E C 0.604 177.224 176.600 0.032 0.000 1.002 1222 E CA 1.275 57.708 56.400 0.055 0.000 0.828 1222 E CB -0.085 29.629 29.700 0.022 0.000 0.747 1222 E HN 0.678 nan 8.360 nan 0.000 0.491 1223 R N -0.530 119.987 120.500 0.029 0.000 2.276 1223 R HA 0.088 4.382 4.340 -0.076 0.000 0.203 1223 R C 0.775 176.883 176.300 -0.321 0.000 1.017 1223 R CA 0.638 56.649 56.100 -0.149 0.000 1.010 1223 R CB -0.127 30.036 30.300 -0.229 0.000 0.900 1223 R HN 0.158 nan 8.270 nan 0.000 0.469 1224 F N -0.396 119.561 119.950 0.011 0.000 2.708 1224 F HA 0.224 4.704 4.527 -0.079 0.000 0.300 1224 F C 0.086 175.869 175.800 -0.028 0.000 1.118 1224 F CA -0.676 57.329 58.000 0.008 0.000 1.307 1224 F CB 0.665 39.681 39.000 0.027 0.000 0.986 1224 F HN -0.140 nan 8.300 nan 0.000 0.522 1225 C N 2.200 121.553 119.300 0.089 0.000 2.239 1225 C HA 0.266 4.681 4.460 -0.076 0.000 0.323 1225 C C -0.926 174.070 174.990 0.010 0.000 1.205 1225 C CA -1.315 57.725 59.018 0.037 0.000 1.584 1225 C CB 0.825 28.585 27.740 0.033 0.000 2.201 1225 C HN 0.207 nan 8.230 nan 0.000 0.475 1226 P HA -0.147 nan 4.420 nan 0.000 0.215 1226 P C 1.685 178.985 177.300 0.000 0.000 1.153 1226 P CA 1.649 64.749 63.100 0.001 0.000 0.853 1226 P CB 0.059 31.754 31.700 -0.008 0.000 0.788 1227 S N -0.482 115.216 115.700 -0.003 0.000 2.474 1227 S HA -0.084 4.341 4.470 -0.076 0.000 0.235 1227 S C 1.484 176.085 174.600 0.002 0.000 0.997 1227 S CA 0.912 59.112 58.200 0.001 0.000 0.949 1227 S CB -1.250 61.950 63.200 0.001 0.000 0.766 1227 S HN 0.354 nan 8.310 nan 0.000 0.517 1228 I N -1.646 118.925 120.570 0.001 0.000 3.833 1228 I HA 0.393 4.518 4.170 -0.076 0.000 0.328 1228 I C 1.354 177.467 176.117 -0.006 0.000 1.554 1228 I CA -0.665 60.635 61.300 -0.000 0.000 1.116 1228 I CB 0.160 38.161 38.000 0.003 0.000 1.182 1228 I HN 0.100 nan 8.210 nan 0.000 0.459 1229 K N 0.225 120.620 120.400 -0.008 0.000 2.283 1229 K HA -0.075 4.200 4.320 -0.076 0.000 0.202 1229 K C 0.557 177.146 176.600 -0.019 0.000 1.048 1229 K CA 1.393 57.670 56.287 -0.017 0.000 0.948 1229 K CB -0.153 32.340 32.500 -0.012 0.000 0.742 1229 K HN 0.278 nan 8.250 nan 0.000 0.458 1230 D N 1.514 121.907 120.400 -0.012 0.000 2.347 1230 D HA -0.010 4.585 4.640 -0.076 0.000 0.213 1230 D C 1.047 177.339 176.300 -0.013 0.000 0.985 1230 D CA 0.737 54.730 54.000 -0.012 0.000 0.879 1230 D CB 0.298 41.093 40.800 -0.008 0.000 0.919 1230 D HN 0.387 nan 8.370 nan 0.000 0.526 1231 K N 0.070 120.462 120.400 -0.012 0.000 2.400 1231 K HA 0.114 4.388 4.320 -0.076 0.000 0.194 1231 K C 0.312 176.902 176.600 -0.018 0.000 1.033 1231 K CA 0.294 56.574 56.287 -0.013 0.000 1.021 1231 K CB 1.303 33.797 32.500 -0.009 0.000 0.808 1231 K HN 0.000 nan 8.250 nan 0.000 0.505 1232 I N 1.571 122.127 120.570 -0.023 0.000 2.502 1232 I HA 0.134 4.259 4.170 -0.076 0.000 0.276 1232 I C 0.267 176.360 176.117 -0.040 0.000 1.057 1232 I CA -0.226 61.056 61.300 -0.031 0.000 1.163 1232 I CB 1.171 39.150 38.000 -0.035 0.000 1.288 1232 I HN -0.039 nan 8.210 nan 0.000 0.479 1233 E N 3.145 123.324 120.200 -0.036 0.000 2.511 1233 E HA -0.042 4.262 4.350 -0.076 0.000 0.196 1233 E C 0.964 177.535 176.600 -0.047 0.000 1.066 1233 E CA 0.450 56.827 56.400 -0.037 0.000 0.871 1233 E CB 0.154 29.837 29.700 -0.029 0.000 0.863 1233 E HN 0.563 nan 8.360 nan 0.000 0.520 1234 N N -0.505 118.161 118.700 -0.057 0.000 2.321 1234 N HA -0.016 4.679 4.740 -0.076 0.000 0.242 1234 N C -0.161 175.281 175.510 -0.112 0.000 1.141 1234 N CA -0.085 52.921 53.050 -0.074 0.000 0.864 1234 N CB 0.132 38.581 38.487 -0.063 0.000 1.100 1234 N HN -0.160 nan 8.380 nan 0.000 0.510 1235 T N 0.509 114.998 114.554 -0.109 0.000 2.932 1235 T HA -0.001 4.304 4.350 -0.076 0.000 0.312 1235 T C 0.812 175.396 174.700 -0.194 0.000 1.071 1235 T CA 0.208 62.220 62.100 -0.147 0.000 1.128 1235 T CB 0.641 69.453 68.868 -0.093 0.000 0.984 1235 T HN 0.108 nan 8.240 nan 0.000 0.549 1236 E N 2.809 122.819 120.200 -0.317 0.000 2.474 1236 E HA 0.105 4.410 4.350 -0.076 0.000 0.195 1236 E C 0.064 176.626 176.600 -0.064 0.000 1.039 1236 E CA 0.039 56.253 56.400 -0.311 0.000 0.881 1236 E CB 0.264 29.520 29.700 -0.740 0.000 0.970 1236 E HN 0.518 nan 8.360 nan 0.000 0.486 1237 I N 3.339 123.889 120.570 -0.034 0.000 2.291 1237 I HA 0.247 4.371 4.170 -0.076 0.000 0.290 1237 I C -2.185 173.948 176.117 0.026 0.000 1.050 1237 I CA -2.907 58.439 61.300 0.078 0.000 1.245 1237 I CB 0.035 38.068 38.000 0.054 0.000 1.405 1237 I HN -0.295 nan 8.210 nan 0.000 0.478 1238 P HA 0.145 nan 4.420 nan 0.000 0.272 1238 P C 0.764 178.075 177.300 0.018 0.000 1.254 1238 P CA -0.163 62.938 63.100 0.002 0.000 0.795 1238 P CB 0.867 32.559 31.700 -0.013 0.000 1.022 1239 A N 1.128 123.951 122.820 0.006 0.000 1.969 1239 A HA -0.158 4.117 4.320 -0.076 0.000 0.218 1239 A C 1.400 178.996 177.584 0.020 0.000 1.169 1239 A CA 1.892 53.935 52.037 0.010 0.000 0.635 1239 A CB -1.259 17.742 19.000 0.002 0.000 0.810 1239 A HN 0.659 nan 8.150 nan 0.000 0.445 1240 D N -0.945 119.469 120.400 0.023 0.000 2.340 1240 D HA 0.127 4.721 4.640 -0.076 0.000 0.220 1240 D C 0.063 176.396 176.300 0.056 0.000 1.039 1240 D CA 0.087 54.106 54.000 0.032 0.000 0.866 1240 D CB -0.307 40.507 40.800 0.023 0.000 0.913 1240 D HN 0.125 nan 8.370 nan 0.000 0.523 1241 V N 0.846 120.804 119.914 0.073 0.000 2.459 1241 V HA 0.304 4.378 4.120 -0.076 0.000 0.295 1241 V C 0.193 176.337 176.094 0.084 0.000 1.029 1241 V CA -0.717 61.653 62.300 0.115 0.000 0.874 1241 V CB 1.533 33.481 31.823 0.209 0.000 0.985 1241 V HN -0.030 nan 8.190 nan 0.000 0.438 1242 N N 2.002 120.744 118.700 0.071 0.000 2.159 1242 N HA 0.587 5.281 4.740 -0.076 0.000 0.217 1242 N C -0.204 175.314 175.510 0.013 0.000 1.223 1242 N CA 0.380 53.454 53.050 0.040 0.000 0.896 1242 N CB 1.238 39.747 38.487 0.036 0.000 1.064 1242 N HN 0.802 nan 8.380 nan 0.000 0.518 1243 A N 0.190 123.014 122.820 0.007 0.000 2.582 1243 A HA 0.600 4.874 4.320 -0.076 0.000 0.297 1243 A C -1.688 175.812 177.584 -0.141 0.000 1.059 1243 A CA -0.464 51.522 52.037 -0.085 0.000 0.705 1243 A CB 1.029 19.996 19.000 -0.054 0.000 1.279 1243 A HN -0.107 nan 8.150 nan 0.000 0.404 1244 V N 1.795 121.519 119.914 -0.317 0.000 2.656 1244 V HA 0.642 4.716 4.120 -0.076 0.000 0.307 1244 V C -1.252 174.498 176.094 -0.575 0.000 1.051 1244 V CA -0.508 61.550 62.300 -0.402 0.000 0.893 1244 V CB 1.520 33.064 31.823 -0.464 0.000 0.999 1244 V HN 0.817 nan 8.190 nan 0.000 0.426 1245 Y N 1.530 121.675 120.300 -0.258 0.000 2.524 1245 Y HA 0.614 5.117 4.550 -0.078 0.000 0.344 1245 Y C 0.157 175.752 175.900 -0.509 0.000 1.012 1245 Y CA -0.710 57.197 58.100 -0.320 0.000 1.068 1245 Y CB 2.016 40.341 38.460 -0.225 0.000 1.249 1245 Y HN 0.658 nan 8.280 nan 0.000 0.468 1246 E N 2.403 122.300 120.200 -0.505 0.000 2.212 1246 E HA 0.492 4.797 4.350 -0.076 0.000 0.268 1246 E C -1.601 174.611 176.600 -0.646 0.000 0.902 1246 E CA -0.760 55.133 56.400 -0.846 0.000 0.779 1246 E CB 1.155 30.078 29.700 -1.295 0.000 1.172 1246 E HN 0.446 nan 8.360 nan 0.000 0.409 1247 I N 4.368 124.480 120.570 -0.762 0.000 2.328 1247 I HA 0.226 4.351 4.170 -0.076 0.000 0.287 1247 I C -0.178 175.671 176.117 -0.445 0.000 1.012 1247 I CA -0.741 60.190 61.300 -0.614 0.000 1.195 1247 I CB 1.007 38.505 38.000 -0.837 0.000 1.350 1247 I HN 0.314 nan 8.210 nan 0.000 0.464 1248 V N 8.037 127.776 119.914 -0.291 0.000 2.465 1248 V HA 0.424 4.499 4.120 -0.076 0.000 0.279 1248 V C 0.317 176.389 176.094 -0.036 0.000 1.045 1248 V CA -0.351 61.871 62.300 -0.129 0.000 0.938 1248 V CB 1.708 33.503 31.823 -0.045 0.000 0.986 1248 V HN 0.430 nan 8.190 nan 0.000 0.467 1249 I N 5.009 125.566 120.570 -0.023 0.000 2.466 1249 I HA 0.490 4.614 4.170 -0.076 0.000 0.289 1249 I C -0.501 175.604 176.117 -0.019 0.000 1.026 1249 I CA -0.587 60.699 61.300 -0.025 0.000 1.078 1249 I CB 1.978 39.946 38.000 -0.053 0.000 1.249 1249 I HN 0.500 nan 8.210 nan 0.000 0.429 1250 N N 3.436 122.131 118.700 -0.008 0.000 2.443 1250 N HA 0.873 5.567 4.740 -0.076 0.000 0.293 1250 N C -0.261 175.227 175.510 -0.036 0.000 1.159 1250 N CA -0.541 52.502 53.050 -0.012 0.000 0.904 1250 N CB 2.278 40.768 38.487 0.005 0.000 1.214 1250 N HN 0.864 nan 8.380 nan 0.000 0.513 1251 G N -0.965 107.808 108.800 -0.045 0.000 2.506 1251 G HA2 0.305 4.220 3.960 -0.076 0.000 0.292 1251 G HA3 0.305 4.220 3.960 -0.076 0.000 0.292 1251 G C 0.082 174.952 174.900 -0.050 0.000 1.425 1251 G CA -0.667 44.403 45.100 -0.051 0.000 0.788 1251 G HN 0.374 nan 8.290 nan 0.000 0.490 1252 L N -0.455 120.744 121.223 -0.040 0.000 2.095 1252 L HA 0.231 4.526 4.340 -0.076 0.000 0.204 1252 L C 0.882 177.733 176.870 -0.032 0.000 1.080 1252 L CA 1.349 56.173 54.840 -0.027 0.000 0.759 1252 L CB -0.364 41.682 42.059 -0.021 0.000 0.914 1252 L HN 0.731 nan 8.230 nan 0.000 0.439 1253 D N -3.041 117.339 120.400 -0.034 0.000 2.592 1253 D HA 0.131 4.725 4.640 -0.076 0.000 0.263 1253 D C 0.349 176.651 176.300 0.003 0.000 1.132 1253 D CA -0.757 53.231 54.000 -0.020 0.000 0.996 1253 D CB 0.768 41.573 40.800 0.010 0.000 1.442 1253 D HN -0.164 nan 8.370 nan 0.000 0.486 1254 E N -0.597 119.641 120.200 0.063 0.000 2.077 1254 E HA -0.178 4.126 4.350 -0.076 0.000 0.193 1254 E C 1.515 178.230 176.600 0.190 0.000 0.989 1254 E CA 1.366 57.900 56.400 0.223 0.000 0.800 1254 E CB 0.128 29.962 29.700 0.223 0.000 0.746 1254 E HN 0.560 nan 8.360 nan 0.000 0.452 1255 E N 0.346 120.601 120.200 0.092 0.000 2.208 1255 E HA -0.136 4.168 4.350 -0.076 0.000 0.193 1255 E C 2.043 178.646 176.600 0.005 0.000 0.988 1255 E CA 1.334 57.765 56.400 0.050 0.000 0.828 1255 E CB -0.223 29.495 29.700 0.030 0.000 0.763 1255 E HN 0.201 nan 8.360 nan 0.000 0.478 1256 S N 1.064 116.757 115.700 -0.012 0.000 2.414 1256 S HA 0.025 4.449 4.470 -0.076 0.000 0.227 1256 S C 2.199 176.751 174.600 -0.079 0.000 1.022 1256 S CA 0.182 58.357 58.200 -0.041 0.000 0.958 1256 S CB -0.486 62.689 63.200 -0.041 0.000 0.797 1256 S HN 0.166 nan 8.310 nan 0.000 0.493 1257 I N 1.658 122.155 120.570 -0.121 0.000 2.315 1257 I HA -0.144 3.980 4.170 -0.076 0.000 0.248 1257 I C 2.596 178.532 176.117 -0.301 0.000 1.117 1257 I CA 1.243 62.380 61.300 -0.271 0.000 1.404 1257 I CB -0.284 37.408 38.000 -0.513 0.000 1.071 1257 I HN 0.337 nan 8.210 nan 0.000 0.419 1258 K N 0.967 121.251 120.400 -0.193 0.000 2.057 1258 K HA -0.107 4.167 4.320 -0.076 0.000 0.206 1258 K C 2.271 178.800 176.600 -0.118 0.000 1.050 1258 K CA 1.437 57.652 56.287 -0.120 0.000 0.935 1258 K CB -0.231 32.283 32.500 0.023 0.000 0.715 1258 K HN 0.259 nan 8.250 nan 0.000 0.439 1259 A N 1.524 124.294 122.820 -0.085 0.000 1.940 1259 A HA -0.147 4.127 4.320 -0.076 0.000 0.219 1259 A C 2.350 179.897 177.584 -0.061 0.000 1.176 1259 A CA 1.925 53.920 52.037 -0.071 0.000 0.631 1259 A CB -0.669 18.304 19.000 -0.046 0.000 0.814 1259 A HN 0.346 nan 8.150 nan 0.000 0.446 1260 A N -0.712 122.073 122.820 -0.059 0.000 1.898 1260 A HA -0.056 4.219 4.320 -0.076 0.000 0.216 1260 A C 2.248 179.840 177.584 0.013 0.000 1.181 1260 A CA 1.684 53.711 52.037 -0.018 0.000 0.620 1260 A CB -0.489 18.497 19.000 -0.022 0.000 0.819 1260 A HN 0.522 nan 8.150 nan 0.000 0.442 1261 M N -0.857 118.718 119.600 -0.040 0.000 2.132 1261 M HA -0.134 4.301 4.480 -0.076 0.000 0.263 1261 M C 2.294 178.478 176.300 -0.193 0.000 1.065 1261 M CA 1.940 57.207 55.300 -0.054 0.000 1.122 1261 M CB -0.266 32.283 32.600 -0.085 0.000 1.365 1261 M HN 0.463 nan 8.290 nan 0.000 0.411 1262 K N 0.605 120.893 120.400 -0.186 0.000 2.002 1262 K HA -0.131 4.144 4.320 -0.076 0.000 0.209 1262 K C 1.991 178.577 176.600 -0.023 0.000 1.048 1262 K CA 1.544 57.710 56.287 -0.202 0.000 0.930 1262 K CB -0.119 32.206 32.500 -0.291 0.000 0.714 1262 K HN 0.256 nan 8.250 nan 0.000 0.438 1263 A N 0.733 123.541 122.820 -0.021 0.000 1.902 1263 A HA -0.080 4.195 4.320 -0.076 0.000 0.217 1263 A C 2.359 179.964 177.584 0.036 0.000 1.181 1263 A CA 1.965 54.015 52.037 0.021 0.000 0.623 1263 A CB -1.244 17.767 19.000 0.018 0.000 0.818 1263 A HN 0.573 nan 8.150 nan 0.000 0.443 1264 G N -0.067 108.761 108.800 0.046 0.000 2.421 1264 G HA2 -0.181 3.733 3.960 -0.076 0.000 0.216 1264 G HA3 -0.181 3.733 3.960 -0.076 0.000 0.216 1264 G C 1.541 176.458 174.900 0.029 0.000 1.171 1264 G CA 1.113 46.311 45.100 0.164 0.000 0.775 1264 G HN 0.465 nan 8.290 nan 0.000 0.543 1265 I N 0.411 120.763 120.570 -0.363 0.000 2.179 1265 I HA -0.152 3.973 4.170 -0.076 0.000 0.242 1265 I C 2.749 178.826 176.117 -0.068 0.000 1.088 1265 I CA 1.157 62.233 61.300 -0.373 0.000 1.357 1265 I CB -0.080 37.722 38.000 -0.329 0.000 1.051 1265 I HN 0.081 nan 8.210 nan 0.000 0.409 1266 K N 0.683 121.092 120.400 0.015 0.000 2.211 1266 K HA -0.100 4.174 4.320 -0.076 0.000 0.203 1266 K C 2.141 178.753 176.600 0.020 0.000 1.050 1266 K CA 1.348 57.647 56.287 0.020 0.000 0.945 1266 K CB -0.149 32.395 32.500 0.073 0.000 0.732 1266 K HN 0.335 nan 8.250 nan 0.000 0.451 1267 A N 1.536 124.380 122.820 0.041 0.000 1.898 1267 A HA 0.024 4.299 4.320 -0.076 0.000 0.214 1267 A C 2.402 180.023 177.584 0.062 0.000 1.183 1267 A CA 1.399 53.467 52.037 0.051 0.000 0.622 1267 A CB -0.453 18.586 19.000 0.065 0.000 0.824 1267 A HN 0.268 nan 8.150 nan 0.000 0.444 1268 A N 0.169 123.047 122.820 0.097 0.000 1.908 1268 A HA -0.063 4.212 4.320 -0.076 0.000 0.218 1268 A C 2.144 179.779 177.584 0.085 0.000 1.181 1268 A CA 2.116 54.230 52.037 0.128 0.000 0.627 1268 A CB -1.250 17.898 19.000 0.246 0.000 0.818 1268 A HN 1.176 nan 8.150 nan 0.000 0.445 1269 V N -1.607 118.336 119.914 0.049 0.000 3.510 1269 V HA -0.047 4.028 4.120 -0.076 0.000 0.270 1269 V C 1.926 178.028 176.094 0.013 0.000 1.201 1269 V CA 1.910 64.224 62.300 0.024 0.000 1.166 1269 V CB -1.738 30.069 31.823 -0.026 0.000 0.825 1269 V HN 0.671 nan 8.190 nan 0.000 0.484 1270 T N -1.914 112.651 114.554 0.019 0.000 3.088 1270 T HA 0.156 4.461 4.350 -0.076 0.000 0.259 1270 T C 0.675 175.387 174.700 0.019 0.000 1.122 1270 T CA 0.392 62.501 62.100 0.014 0.000 1.095 1270 T CB -0.393 68.483 68.868 0.013 0.000 0.930 1270 T HN 0.333 nan 8.240 nan 0.000 0.508 1271 V N 5.043 124.975 119.914 0.031 0.000 2.455 1271 V HA 0.306 4.380 4.120 -0.076 0.000 0.273 1271 V C -1.987 174.127 176.094 0.033 0.000 1.045 1271 V CA -2.243 60.075 62.300 0.032 0.000 0.976 1271 V CB 0.721 32.568 31.823 0.040 0.000 0.993 1271 V HN 0.353 nan 8.190 nan 0.000 0.475 1272 P HA 0.169 nan 4.420 nan 0.000 0.264 1272 P C 0.836 178.157 177.300 0.035 0.000 1.193 1272 P CA 1.085 64.200 63.100 0.025 0.000 0.763 1272 P CB 0.910 32.621 31.700 0.019 0.000 0.810 1273 G N 1.635 110.458 108.800 0.038 0.000 2.201 1273 G HA2 -0.198 3.717 3.960 -0.076 0.000 0.212 1273 G HA3 -0.198 3.717 3.960 -0.076 0.000 0.212 1273 G C -0.032 174.909 174.900 0.068 0.000 0.994 1273 G CA -0.208 44.921 45.100 0.048 0.000 0.644 1273 G HN 0.534 nan 8.290 nan 0.000 0.508 1274 V N 2.109 122.067 119.914 0.073 0.000 2.529 1274 V HA 0.283 4.357 4.120 -0.076 0.000 0.292 1274 V C 1.384 177.534 176.094 0.094 0.000 1.028 1274 V CA 0.636 62.998 62.300 0.103 0.000 1.074 1274 V CB 1.449 33.334 31.823 0.103 0.000 0.958 1274 V HN 0.246 nan 8.190 nan 0.000 0.481 1275 K N 3.215 123.691 120.400 0.128 0.000 2.335 1275 K HA 0.257 4.532 4.320 -0.076 0.000 0.195 1275 K C 0.461 177.092 176.600 0.051 0.000 1.058 1275 K CA 0.373 56.711 56.287 0.085 0.000 0.988 1275 K CB 0.448 33.005 32.500 0.095 0.000 0.880 1275 K HN 0.641 nan 8.250 nan 0.000 0.513 1276 K N 0.347 120.815 120.400 0.114 0.000 2.589 1276 K HA 0.267 4.542 4.320 -0.076 0.000 0.265 1276 K C -1.668 175.074 176.600 0.238 0.000 0.935 1276 K CA -0.416 55.889 56.287 0.030 0.000 0.850 1276 K CB 1.310 33.626 32.500 -0.307 0.000 1.372 1276 K HN -0.237 nan 8.250 nan 0.000 0.420 1277 I N 2.472 123.153 120.570 0.184 0.000 2.377 1277 I HA 0.444 4.569 4.170 -0.076 0.000 0.293 1277 I C 0.112 176.401 176.117 0.287 0.000 0.987 1277 I CA -0.191 61.293 61.300 0.307 0.000 1.185 1277 I CB 1.197 39.307 38.000 0.183 0.000 1.341 1277 I HN 0.730 nan 8.210 nan 0.000 0.455 1278 S N 3.898 119.874 115.700 0.461 0.000 2.998 1278 S HA 0.972 5.397 4.470 -0.076 0.000 0.321 1278 S C -1.323 173.506 174.600 0.382 0.000 1.171 1278 S CA -0.246 58.154 58.200 0.334 0.000 0.882 1278 S CB 2.076 65.461 63.200 0.307 0.000 1.301 1278 S HN 0.793 nan 8.310 nan 0.000 0.629 1279 A N -0.274 122.637 122.820 0.150 0.000 2.594 1279 A HA 0.762 5.036 4.320 -0.076 0.000 0.295 1279 A C -0.333 177.113 177.584 -0.230 0.000 1.071 1279 A CA -0.181 51.954 52.037 0.163 0.000 0.685 1279 A CB 0.932 20.038 19.000 0.175 0.000 1.285 1279 A HN 1.147 nan 8.150 nan 0.000 0.405 1280 G N 0.726 109.480 108.800 -0.075 0.000 2.371 1280 G HA2 0.610 4.525 3.960 -0.076 0.000 0.326 1280 G HA3 0.610 4.525 3.960 -0.076 0.000 0.326 1280 G C -0.485 174.259 174.900 -0.260 0.000 1.127 1280 G CA -0.172 44.754 45.100 -0.289 0.000 0.885 1280 G HN 1.154 nan 8.290 nan 0.000 0.477 1281 N N -0.550 117.879 118.700 -0.451 0.000 3.243 1281 N HA 0.267 4.962 4.740 -0.076 0.000 0.280 1281 N C -1.293 173.848 175.510 -0.614 0.000 1.545 1281 N CA -0.884 51.929 53.050 -0.396 0.000 0.854 1281 N CB 1.290 39.562 38.487 -0.358 0.000 1.612 1281 N HN 0.345 nan 8.380 nan 0.000 0.577 1282 Y N -1.333 119.036 120.300 0.114 0.000 2.719 1282 Y HA 0.424 4.932 4.550 -0.070 0.000 0.251 1282 Y C 1.345 177.326 175.900 0.135 0.000 1.159 1282 Y CA 0.235 58.415 58.100 0.134 0.000 1.166 1282 Y CB 0.881 39.460 38.460 0.197 0.000 1.219 1282 Y HN 1.023 nan 8.280 nan 0.000 0.551 1283 G N -0.453 108.482 108.800 0.224 0.000 2.234 1283 G HA2 -0.111 3.804 3.960 -0.076 0.000 0.235 1283 G HA3 -0.111 3.804 3.960 -0.076 0.000 0.235 1283 G C 1.134 176.174 174.900 0.234 0.000 0.997 1283 G CA 0.104 45.333 45.100 0.215 0.000 0.623 1283 G HN 1.182 nan 8.290 nan 0.000 0.514 1284 G N -0.829 108.111 108.800 0.234 0.000 2.184 1284 G HA2 -0.154 3.761 3.960 -0.076 0.000 0.206 1284 G HA3 -0.154 3.761 3.960 -0.076 0.000 0.206 1284 G C 0.925 175.878 174.900 0.088 0.000 0.995 1284 G CA 1.156 46.314 45.100 0.097 0.000 0.651 1284 G HN 0.786 nan 8.290 nan 0.000 0.511 1285 K N -0.679 119.809 120.400 0.146 0.000 2.356 1285 K HA 0.441 4.715 4.320 -0.076 0.000 0.195 1285 K C 1.946 178.623 176.600 0.128 0.000 1.037 1285 K CA 0.712 57.070 56.287 0.118 0.000 1.014 1285 K CB 0.197 32.772 32.500 0.125 0.000 0.815 1285 K HN 0.442 nan 8.250 nan 0.000 0.507 1286 L N -0.795 120.550 121.223 0.203 0.000 2.777 1286 L HA 0.250 4.545 4.340 -0.076 0.000 0.172 1286 L C 1.179 178.241 176.870 0.319 0.000 1.179 1286 L CA 0.675 55.674 54.840 0.264 0.000 0.859 1286 L CB -0.972 41.306 42.059 0.365 0.000 1.269 1286 L HN -0.024 nan 8.230 nan 0.000 0.511 1287 G N -0.405 108.547 108.800 0.253 0.000 2.432 1287 G HA2 0.206 4.120 3.960 -0.076 0.000 0.257 1287 G HA3 0.206 4.120 3.960 -0.076 0.000 0.257 1287 G C 0.581 175.457 174.900 -0.040 0.000 1.238 1287 G CA -0.120 44.971 45.100 -0.015 0.000 0.838 1287 G HN 0.189 nan 8.290 nan 0.000 0.547 1288 K N 1.121 121.469 120.400 -0.087 0.000 2.076 1288 K HA -0.008 4.266 4.320 -0.076 0.000 0.204 1288 K C -0.240 176.106 176.600 -0.423 0.000 1.051 1288 K CA 0.523 56.628 56.287 -0.303 0.000 0.949 1288 K CB -0.116 32.083 32.500 -0.502 0.000 0.726 1288 K HN 0.511 nan 8.250 nan 0.000 0.443 1289 Y N 2.023 122.232 120.300 -0.152 0.000 2.336 1289 Y HA 0.207 4.710 4.550 -0.077 0.000 0.335 1289 Y C -0.339 175.304 175.900 -0.428 0.000 1.046 1289 Y CA -0.353 57.553 58.100 -0.323 0.000 1.198 1289 Y CB 1.254 39.566 38.460 -0.246 0.000 1.182 1289 Y HN 0.034 nan 8.280 nan 0.000 0.502 1290 Q N 4.013 123.535 119.800 -0.463 0.000 2.290 1290 Q HA 0.378 4.672 4.340 -0.076 0.000 0.269 1290 Q C -1.703 174.051 176.000 -0.411 0.000 1.016 1290 Q CA -0.615 54.989 55.803 -0.331 0.000 0.754 1290 Q CB 1.625 30.139 28.738 -0.374 0.000 1.247 1290 Q HN 0.591 nan 8.270 nan 0.000 0.451 1291 F N 2.138 122.171 119.950 0.139 0.000 2.308 1291 F HA 0.340 4.820 4.527 -0.079 0.000 0.370 1291 F C 0.461 176.356 175.800 0.158 0.000 1.100 1291 F CA -0.775 57.294 58.000 0.115 0.000 1.108 1291 F CB 0.809 39.870 39.000 0.102 0.000 1.293 1291 F HN 0.082 nan 8.300 nan 0.000 0.478 1292 K N 3.452 123.991 120.400 0.231 0.000 2.339 1292 K HA 0.139 4.414 4.320 -0.076 0.000 0.286 1292 K C 0.693 177.423 176.600 0.217 0.000 1.050 1292 K CA -0.491 55.929 56.287 0.222 0.000 0.956 1292 K CB 1.141 33.719 32.500 0.131 0.000 0.990 1292 K HN 0.512 nan 8.250 nan 0.000 0.475 1293 L N 2.784 124.155 121.223 0.247 0.000 2.042 1293 L HA -0.203 4.091 4.340 -0.076 0.000 0.210 1293 L C 1.927 179.024 176.870 0.378 0.000 1.076 1293 L CA 1.922 56.935 54.840 0.288 0.000 0.749 1293 L CB -0.788 41.469 42.059 0.329 0.000 0.893 1293 L HN 0.662 nan 8.230 nan 0.000 0.432 1294 H N -0.520 118.658 119.070 0.179 0.000 2.457 1294 H HA -0.053 4.449 4.556 -0.090 0.000 0.294 1294 H C 1.953 177.365 175.328 0.139 0.000 1.064 1294 H CA 0.980 57.147 56.048 0.197 0.000 1.330 1294 H CB -0.056 29.785 29.762 0.130 0.000 1.395 1294 H HN 0.461 nan 8.280 nan 0.000 0.541 1295 E N 0.031 120.341 120.200 0.183 0.000 2.482 1295 E HA -0.027 4.277 4.350 -0.076 0.000 0.196 1295 E C 1.567 178.139 176.600 -0.046 0.000 1.047 1295 E CA 0.035 56.479 56.400 0.073 0.000 0.869 1295 E CB 0.127 29.866 29.700 0.065 0.000 0.836 1295 E HN 0.441 nan 8.360 nan 0.000 0.520 1296 L N -0.217 120.883 121.223 -0.206 0.000 2.179 1296 L HA 0.002 4.296 4.340 -0.076 0.000 0.208 1296 L C 0.658 177.146 176.870 -0.637 0.000 1.096 1296 L CA 0.693 55.194 54.840 -0.566 0.000 0.779 1296 L CB -0.030 41.388 42.059 -1.067 0.000 0.922 1296 L HN 0.029 nan 8.230 nan 0.000 0.443 1297 F N 0.000 119.946 119.950 -0.006 0.000 2.286 1297 F HA 0.000 4.485 4.527 -0.070 0.000 0.279 1297 F CA 0.000 57.982 58.000 -0.029 0.000 1.383 1297 F CB 0.000 38.963 39.000 -0.062 0.000 1.145 1297 F HN 0.000 nan 8.300 nan 0.000 0.574