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 1ez9_1_B DATA FIRST_RESID 1001 DATA SEQUENCE KIEEGKLVIW INGDKGYNGL AEVGKKFEKD TGIKVTVEHP DKLEEKFPQV DATA SEQUENCE AATGDGPDII FWAHDRFGGY AQSGLLAEIT PDKAFQDKLY PFTWDAVRYN DATA SEQUENCE GKLIAYPIAV EALSLIYNKD LLPNPPKTWE EIPALDKELK AKGKSALMFN DATA SEQUENCE LQEPYFTWPL IAADGGYAFK YENGKYDIKD VGVDNAGAKA GLTFLVDLIK DATA SEQUENCE NKHMNADTDY SIAEAAFNKG ETAMTINGPW AWSNIDTSKV NYGVTVLPTF DATA SEQUENCE KGQPSKPFVG VLSAGINAAS PNKELAKEFL ENYLLTDEGL EAVNKDKPLG DATA SEQUENCE AVALKSYEEE LAKDPRIAAT MENAQKGEIM PNIPQMSAFW YAVRTAVINA DATA SEQUENCE ASGRQTVDEA LKDAQTRITK 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 K HA 0.000 nan 4.320 nan 0.000 0.191 1001 K C 0.000 176.558 176.600 -0.069 0.000 0.988 1001 K CA 0.000 56.247 56.287 -0.066 0.000 0.838 1001 K CB 0.000 32.469 32.500 -0.052 0.000 1.064 1002 I N 2.649 123.171 120.570 -0.080 0.000 2.474 1002 I HA 0.045 4.213 4.170 -0.003 0.000 0.287 1002 I C 0.790 176.871 176.117 -0.059 0.000 1.048 1002 I CA -0.260 60.990 61.300 -0.082 0.000 1.383 1002 I CB 0.772 38.711 38.000 -0.103 0.000 1.412 1002 I HN 0.545 nan 8.210 nan 0.000 0.531 1003 E N 5.989 126.159 120.200 -0.051 0.000 2.376 1003 E HA 0.108 4.456 4.350 -0.003 0.000 0.266 1003 E C -0.523 176.057 176.600 -0.034 0.000 1.009 1003 E CA -0.468 55.910 56.400 -0.037 0.000 0.902 1003 E CB 1.108 30.791 29.700 -0.029 0.000 0.972 1003 E HN 0.546 nan 8.360 nan 0.000 0.439 1004 E N 1.638 121.822 120.200 -0.027 0.000 2.343 1004 E HA 0.285 4.633 4.350 -0.003 0.000 0.269 1004 E C 0.528 177.120 176.600 -0.014 0.000 1.047 1004 E CA 0.408 56.796 56.400 -0.021 0.000 0.874 1004 E CB 0.705 30.394 29.700 -0.018 0.000 1.033 1004 E HN 0.827 nan 8.360 nan 0.000 0.409 1005 G N 3.125 111.921 108.800 -0.007 0.000 2.176 1005 G HA2 -0.258 3.700 3.960 -0.003 0.000 0.232 1005 G HA3 -0.258 3.700 3.960 -0.003 0.000 0.232 1005 G C -0.056 174.847 174.900 0.005 0.000 0.986 1005 G CA 0.648 45.748 45.100 -0.001 0.000 0.643 1005 G HN 0.650 nan 8.290 nan 0.000 0.522 1006 K N -1.209 119.191 120.400 0.000 0.000 2.367 1006 K HA 0.880 5.198 4.320 -0.003 0.000 0.272 1006 K C -1.227 175.358 176.600 -0.024 0.000 1.046 1006 K CA -1.308 54.980 56.287 0.003 0.000 0.895 1006 K CB 1.180 33.676 32.500 -0.007 0.000 1.512 1006 K HN 0.242 nan 8.250 nan 0.000 0.433 1007 L N 1.390 122.579 121.223 -0.056 0.000 2.409 1007 L HA 0.511 4.849 4.340 -0.003 0.000 0.272 1007 L C -1.307 175.495 176.870 -0.114 0.000 0.980 1007 L CA -1.256 53.511 54.840 -0.121 0.000 0.826 1007 L CB 2.314 44.221 42.059 -0.253 0.000 1.268 1007 L HN 0.385 nan 8.230 nan 0.000 0.407 1008 V N 4.720 124.576 119.914 -0.095 0.000 2.384 1008 V HA 0.507 4.625 4.120 -0.003 0.000 0.287 1008 V C -0.044 176.023 176.094 -0.046 0.000 1.020 1008 V CA -0.297 61.971 62.300 -0.053 0.000 0.850 1008 V CB 1.939 33.725 31.823 -0.061 0.000 0.987 1008 V HN 0.490 nan 8.190 nan 0.000 0.436 1009 I N 3.667 124.274 120.570 0.062 0.000 2.474 1009 I HA 0.475 4.643 4.170 -0.003 0.000 0.294 1009 I C -1.132 175.247 176.117 0.436 0.000 1.005 1009 I CA -0.501 60.910 61.300 0.184 0.000 1.113 1009 I CB 2.204 40.311 38.000 0.179 0.000 1.289 1009 I HN 0.487 nan 8.210 nan 0.000 0.436 1010 W N 6.942 128.360 121.300 0.197 0.000 2.475 1010 W HA 0.709 5.367 4.660 -0.004 0.000 0.317 1010 W C -0.485 176.215 176.519 0.302 0.000 1.046 1010 W CA -1.009 56.453 57.345 0.196 0.000 1.215 1010 W CB 1.417 30.980 29.460 0.171 0.000 1.335 1010 W HN 0.214 nan 8.180 nan 0.000 0.471 1011 I N 2.852 123.659 120.570 0.395 0.000 2.827 1011 I HA 0.256 4.425 4.170 -0.003 0.000 0.298 1011 I C -0.129 176.132 176.117 0.241 0.000 1.235 1011 I CA -0.741 60.745 61.300 0.311 0.000 1.021 1011 I CB 1.667 39.701 38.000 0.057 0.000 1.259 1011 I HN 0.335 nan 8.210 nan 0.000 0.427 1012 N N 3.263 122.104 118.700 0.235 0.000 2.441 1012 N HA 0.049 4.787 4.740 -0.003 0.000 0.251 1012 N C 1.050 176.628 175.510 0.113 0.000 1.242 1012 N CA 0.825 53.982 53.050 0.178 0.000 0.898 1012 N CB 1.185 39.717 38.487 0.074 0.000 1.100 1012 N HN 0.874 nan 8.380 nan 0.000 0.443 1013 G N 1.039 109.882 108.800 0.072 0.000 2.535 1013 G HA2 -0.235 3.723 3.960 -0.003 0.000 0.218 1013 G HA3 -0.235 3.723 3.960 -0.003 0.000 0.218 1013 G C 0.757 175.699 174.900 0.071 0.000 1.122 1013 G CA 0.730 45.819 45.100 -0.018 0.000 0.769 1013 G HN 0.832 nan 8.290 nan 0.000 0.549 1014 D N -0.716 119.703 120.400 0.031 0.000 2.349 1014 D HA 0.084 4.722 4.640 -0.003 0.000 0.214 1014 D C 0.833 177.115 176.300 -0.029 0.000 1.063 1014 D CA 0.064 54.059 54.000 -0.008 0.000 0.847 1014 D CB 0.263 41.041 40.800 -0.036 0.000 0.933 1014 D HN 0.014 nan 8.370 nan 0.000 0.513 1015 K N 0.123 120.521 120.400 -0.003 0.000 2.267 1015 K HA 0.538 4.856 4.320 -0.003 0.000 0.236 1015 K C 0.837 177.386 176.600 -0.086 0.000 1.030 1015 K CA -0.789 55.475 56.287 -0.038 0.000 0.930 1015 K CB 0.558 33.038 32.500 -0.032 0.000 1.182 1015 K HN 0.003 nan 8.250 nan 0.000 0.474 1016 G N 1.770 110.504 108.800 -0.110 0.000 3.213 1016 G HA2 0.106 4.064 3.960 -0.003 0.000 0.263 1016 G HA3 0.106 4.064 3.960 -0.003 0.000 0.263 1016 G C 0.703 175.512 174.900 -0.152 0.000 0.829 1016 G CA -0.175 44.819 45.100 -0.178 0.000 1.983 1016 G HN 0.583 nan 8.290 nan 0.000 0.616 1017 Y N -0.510 119.741 120.300 -0.082 0.000 2.421 1017 Y HA -0.036 4.513 4.550 -0.003 0.000 0.292 1017 Y C 1.977 177.874 175.900 -0.004 0.000 1.136 1017 Y CA 0.556 58.627 58.100 -0.047 0.000 1.255 1017 Y CB -0.352 38.099 38.460 -0.015 0.000 0.991 1017 Y HN 0.280 nan 8.280 nan 0.000 0.552 1018 N N 0.979 119.561 118.700 -0.197 0.000 2.250 1018 N HA -0.047 4.691 4.740 -0.003 0.000 0.181 1018 N C 2.083 177.588 175.510 -0.008 0.000 1.017 1018 N CA 1.262 54.286 53.050 -0.044 0.000 0.866 1018 N CB -0.604 37.788 38.487 -0.159 0.000 0.985 1018 N HN 0.608 nan 8.380 nan 0.000 0.429 1019 G N 1.632 110.400 108.800 -0.052 0.000 2.408 1019 G HA2 -0.134 3.824 3.960 -0.003 0.000 0.217 1019 G HA3 -0.134 3.824 3.960 -0.003 0.000 0.217 1019 G C 1.579 176.498 174.900 0.031 0.000 1.150 1019 G CA 0.056 45.149 45.100 -0.013 0.000 0.776 1019 G HN 0.204 nan 8.290 nan 0.000 0.542 1020 L N 0.577 121.819 121.223 0.032 0.000 2.083 1020 L HA -0.032 4.306 4.340 -0.003 0.000 0.209 1020 L C 3.229 180.185 176.870 0.143 0.000 1.083 1020 L CA 1.365 56.251 54.840 0.076 0.000 0.752 1020 L CB -0.325 41.739 42.059 0.009 0.000 0.899 1020 L HN 0.333 nan 8.230 nan 0.000 0.433 1021 A N -0.250 122.645 122.820 0.126 0.000 1.972 1021 A HA -0.235 4.083 4.320 -0.003 0.000 0.219 1021 A C 1.981 179.642 177.584 0.127 0.000 1.169 1021 A CA 1.658 53.772 52.037 0.128 0.000 0.635 1021 A CB -0.386 18.697 19.000 0.138 0.000 0.810 1021 A HN 0.568 nan 8.150 nan 0.000 0.446 1022 E N -0.304 119.963 120.200 0.112 0.000 2.106 1022 E HA -0.100 4.248 4.350 -0.003 0.000 0.192 1022 E C 1.928 178.620 176.600 0.153 0.000 0.984 1022 E CA 1.177 57.643 56.400 0.109 0.000 0.806 1022 E CB -0.275 29.470 29.700 0.075 0.000 0.750 1022 E HN 0.428 nan 8.360 nan 0.000 0.458 1023 V N 1.086 121.109 119.914 0.182 0.000 2.343 1023 V HA -0.192 3.926 4.120 -0.003 0.000 0.247 1023 V C 2.392 178.725 176.094 0.399 0.000 1.051 1023 V CA 1.955 64.408 62.300 0.254 0.000 1.036 1023 V CB -1.018 30.934 31.823 0.216 0.000 0.654 1023 V HN 0.402 nan 8.190 nan 0.000 0.451 1024 G N -0.118 108.894 108.800 0.354 0.000 2.422 1024 G HA2 -0.315 3.643 3.960 -0.003 0.000 0.218 1024 G HA3 -0.315 3.643 3.960 -0.003 0.000 0.218 1024 G C 1.601 176.644 174.900 0.239 0.000 1.146 1024 G CA 1.140 46.396 45.100 0.260 0.000 0.769 1024 G HN 0.468 nan 8.290 nan 0.000 0.547 1025 K N 1.022 121.533 120.400 0.186 0.000 2.097 1025 K HA -0.002 4.317 4.320 -0.003 0.000 0.205 1025 K C 2.294 178.993 176.600 0.164 0.000 1.050 1025 K CA 1.507 57.880 56.287 0.143 0.000 0.938 1025 K CB -0.290 32.275 32.500 0.109 0.000 0.718 1025 K HN 0.324 nan 8.250 nan 0.000 0.442 1026 K N -0.912 119.618 120.400 0.215 0.000 2.148 1026 K HA -0.145 4.173 4.320 -0.003 0.000 0.204 1026 K C 1.958 178.733 176.600 0.292 0.000 1.050 1026 K CA 1.207 57.638 56.287 0.241 0.000 0.942 1026 K CB -0.293 32.373 32.500 0.278 0.000 0.724 1026 K HN 0.156 nan 8.250 nan 0.000 0.446 1027 F N 2.284 122.291 119.950 0.096 0.000 2.146 1027 F HA -0.113 4.412 4.527 -0.003 0.000 0.298 1027 F C 2.213 177.963 175.800 -0.083 0.000 1.096 1027 F CA 1.761 59.659 58.000 -0.170 0.000 1.275 1027 F CB -0.192 38.712 39.000 -0.160 0.000 1.008 1027 F HN 0.167 nan 8.300 nan 0.000 0.480 1028 E N 0.306 120.527 120.200 0.035 0.000 2.047 1028 E HA -0.272 4.076 4.350 -0.003 0.000 0.191 1028 E C 2.372 178.931 176.600 -0.067 0.000 0.987 1028 E CA 1.306 57.670 56.400 -0.060 0.000 0.799 1028 E CB -0.256 29.459 29.700 0.025 0.000 0.752 1028 E HN 0.410 nan 8.360 nan 0.000 0.449 1029 K N 0.261 120.665 120.400 0.006 0.000 2.032 1029 K HA -0.207 4.112 4.320 -0.003 0.000 0.209 1029 K C 1.403 178.002 176.600 -0.001 0.000 1.048 1029 K CA 2.080 58.377 56.287 0.016 0.000 0.927 1029 K CB -0.004 32.529 32.500 0.056 0.000 0.712 1029 K HN 0.071 nan 8.250 nan 0.000 0.441 1030 D N -0.710 119.697 120.400 0.012 0.000 2.194 1030 D HA -0.082 4.556 4.640 -0.003 0.000 0.204 1030 D C 1.685 177.939 176.300 -0.077 0.000 0.964 1030 D CA 1.735 55.750 54.000 0.026 0.000 0.846 1030 D CB 0.179 41.097 40.800 0.197 0.000 0.962 1030 D HN 0.509 nan 8.370 nan 0.000 0.490 1031 T N -4.791 109.608 114.554 -0.257 0.000 2.975 1031 T HA 0.399 4.747 4.350 -0.003 0.000 0.257 1031 T C 1.680 176.225 174.700 -0.258 0.000 1.003 1031 T CA 0.595 62.500 62.100 -0.325 0.000 0.932 1031 T CB 0.961 69.424 68.868 -0.674 0.000 1.087 1031 T HN 0.152 nan 8.240 nan 0.000 0.512 1032 G N 1.749 110.419 108.800 -0.216 0.000 2.199 1032 G HA2 -0.182 3.776 3.960 -0.003 0.000 0.254 1032 G HA3 -0.182 3.776 3.960 -0.003 0.000 0.254 1032 G C -0.008 174.810 174.900 -0.136 0.000 0.982 1032 G CA 0.060 45.080 45.100 -0.133 0.000 0.632 1032 G HN 0.554 nan 8.290 nan 0.000 0.529 1033 I N 1.562 121.990 120.570 -0.235 0.000 2.395 1033 I HA 0.281 4.449 4.170 -0.003 0.000 0.289 1033 I C 0.818 176.930 176.117 -0.010 0.000 1.023 1033 I CA -0.417 60.806 61.300 -0.128 0.000 1.350 1033 I CB 1.030 38.946 38.000 -0.139 0.000 1.409 1033 I HN 0.103 nan 8.210 nan 0.000 0.507 1034 K N 4.923 125.336 120.400 0.022 0.000 2.249 1034 K HA 0.547 4.865 4.320 -0.003 0.000 0.280 1034 K C -0.800 175.822 176.600 0.038 0.000 1.033 1034 K CA -0.509 55.799 56.287 0.035 0.000 0.946 1034 K CB 1.520 34.027 32.500 0.012 0.000 1.005 1034 K HN 0.289 nan 8.250 nan 0.000 0.469 1035 V N 2.442 122.369 119.914 0.021 0.000 2.531 1035 V HA 0.243 4.361 4.120 -0.003 0.000 0.301 1035 V C -0.538 175.536 176.094 -0.034 0.000 1.034 1035 V CA -0.806 61.455 62.300 -0.066 0.000 0.865 1035 V CB 1.966 33.684 31.823 -0.175 0.000 0.995 1035 V HN 0.781 nan 8.190 nan 0.000 0.424 1036 T N 4.350 118.884 114.554 -0.033 0.000 2.770 1036 T HA 0.582 4.930 4.350 -0.003 0.000 0.283 1036 T C -0.343 174.380 174.700 0.039 0.000 0.988 1036 T CA -0.373 61.734 62.100 0.013 0.000 0.957 1036 T CB 1.577 70.459 68.868 0.022 0.000 0.930 1036 T HN 0.344 nan 8.240 nan 0.000 0.443 1037 V N 4.164 124.118 119.914 0.068 0.000 2.435 1037 V HA 0.499 4.618 4.120 -0.003 0.000 0.290 1037 V C -0.023 176.128 176.094 0.094 0.000 1.030 1037 V CA -0.733 61.634 62.300 0.113 0.000 0.881 1037 V CB 1.520 33.424 31.823 0.134 0.000 0.983 1037 V HN 0.861 nan 8.190 nan 0.000 0.445 1038 E N 2.686 122.961 120.200 0.126 0.000 2.317 1038 E HA 0.559 4.907 4.350 -0.003 0.000 0.270 1038 E C -1.348 175.161 176.600 -0.153 0.000 0.885 1038 E CA -0.790 55.570 56.400 -0.067 0.000 0.760 1038 E CB 2.197 31.905 29.700 0.014 0.000 1.227 1038 E HN 1.010 nan 8.360 nan 0.000 0.434 1039 H N -0.942 117.936 119.070 -0.320 0.000 2.439 1039 H HA 0.395 4.950 4.556 -0.003 0.000 0.230 1039 H C -2.837 172.288 175.328 -0.339 0.000 1.420 1039 H CA -2.328 53.520 56.048 -0.334 0.000 1.305 1039 H CB -0.391 29.106 29.762 -0.442 0.000 1.667 1039 H HN 0.161 nan 8.280 nan 0.000 0.515 1040 P HA 0.050 nan 4.420 nan 0.000 0.272 1040 P C 0.005 177.155 177.300 -0.250 0.000 1.223 1040 P CA -0.166 62.677 63.100 -0.428 0.000 0.784 1040 P CB 0.890 32.196 31.700 -0.657 0.000 0.923 1041 D N 2.330 122.631 120.400 -0.164 0.000 2.372 1041 D HA 0.002 4.640 4.640 -0.003 0.000 0.243 1041 D C 0.555 176.796 176.300 -0.098 0.000 1.121 1041 D CA 0.169 54.120 54.000 -0.082 0.000 0.898 1041 D CB 0.292 41.058 40.800 -0.056 0.000 1.202 1041 D HN 0.292 nan 8.370 nan 0.000 0.428 1042 K N 0.967 121.340 120.400 -0.044 0.000 3.035 1042 K HA -0.202 4.116 4.320 -0.003 0.000 0.262 1042 K C 1.300 177.833 176.600 -0.112 0.000 1.024 1042 K CA 0.202 56.454 56.287 -0.058 0.000 0.748 1042 K CB -1.899 30.570 32.500 -0.051 0.000 1.247 1042 K HN 0.484 nan 8.250 nan 0.000 0.482 1043 L N -0.319 120.820 121.223 -0.139 0.000 2.131 1043 L HA -0.104 4.234 4.340 -0.003 0.000 0.210 1043 L C 2.215 179.042 176.870 -0.071 0.000 1.092 1043 L CA 2.153 56.892 54.840 -0.170 0.000 0.759 1043 L CB -0.521 41.416 42.059 -0.202 0.000 0.903 1043 L HN 0.303 nan 8.230 nan 0.000 0.435 1044 E N 0.997 120.963 120.200 -0.390 0.000 2.265 1044 E HA -0.259 4.089 4.350 -0.003 0.000 0.196 1044 E C 1.522 178.051 176.600 -0.118 0.000 0.996 1044 E CA 1.743 57.809 56.400 -0.557 0.000 0.832 1044 E CB -0.328 28.435 29.700 -1.561 0.000 0.756 1044 E HN 0.833 nan 8.360 nan 0.000 0.491 1045 E N 0.470 120.618 120.200 -0.088 0.000 2.251 1045 E HA 0.064 4.412 4.350 -0.003 0.000 0.194 1045 E C 1.976 178.598 176.600 0.037 0.000 0.964 1045 E CA 0.165 56.562 56.400 -0.005 0.000 0.868 1045 E CB 0.252 29.934 29.700 -0.030 0.000 0.828 1045 E HN 0.183 nan 8.360 nan 0.000 0.481 1046 K N 0.362 120.797 120.400 0.058 0.000 2.103 1046 K HA -0.074 4.244 4.320 -0.003 0.000 0.204 1046 K C 1.879 178.591 176.600 0.187 0.000 1.052 1046 K CA 0.683 57.037 56.287 0.112 0.000 0.945 1046 K CB -0.137 32.428 32.500 0.108 0.000 0.722 1046 K HN 0.022 nan 8.250 nan 0.000 0.443 1047 F N 3.444 123.472 119.950 0.129 0.000 2.063 1047 F HA -0.194 4.332 4.527 -0.001 0.000 0.298 1047 F C -1.043 174.606 175.800 -0.252 0.000 1.109 1047 F CA 1.515 59.483 58.000 -0.054 0.000 1.212 1047 F CB -0.921 37.937 39.000 -0.237 0.000 0.973 1047 F HN 0.009 nan 8.300 nan 0.000 0.480 1048 P HA -0.187 nan 4.420 nan 0.000 0.222 1048 P C 0.921 178.084 177.300 -0.228 0.000 1.147 1048 P CA 1.707 64.638 63.100 -0.281 0.000 0.790 1048 P CB -0.192 31.503 31.700 -0.008 0.000 0.780 1049 Q N 0.105 119.813 119.800 -0.154 0.000 2.033 1049 Q HA -0.054 4.285 4.340 -0.003 0.000 0.196 1049 Q C 2.441 178.345 176.000 -0.160 0.000 0.970 1049 Q CA 1.651 57.386 55.803 -0.114 0.000 0.828 1049 Q CB -0.786 27.922 28.738 -0.050 0.000 0.895 1049 Q HN 0.200 nan 8.270 nan 0.000 0.440 1050 V N -1.317 118.489 119.914 -0.179 0.000 2.453 1050 V HA -0.034 4.084 4.120 -0.003 0.000 0.247 1050 V C 2.225 178.118 176.094 -0.335 0.000 1.048 1050 V CA 1.516 63.695 62.300 -0.202 0.000 1.049 1050 V CB -1.176 30.566 31.823 -0.136 0.000 0.672 1050 V HN 0.269 nan 8.190 nan 0.000 0.457 1051 A N 0.811 123.289 122.820 -0.570 0.000 1.972 1051 A HA 0.114 4.432 4.320 -0.003 0.000 0.219 1051 A C 2.442 179.792 177.584 -0.390 0.000 1.169 1051 A CA 1.994 53.637 52.037 -0.657 0.000 0.635 1051 A CB -0.938 17.334 19.000 -1.215 0.000 0.810 1051 A HN 0.953 nan 8.150 nan 0.000 0.446 1052 A N -0.319 122.315 122.820 -0.309 0.000 2.019 1052 A HA -0.053 4.265 4.320 -0.003 0.000 0.219 1052 A C 2.148 179.642 177.584 -0.151 0.000 1.164 1052 A CA 2.129 54.050 52.037 -0.194 0.000 0.644 1052 A CB -0.929 17.983 19.000 -0.147 0.000 0.805 1052 A HN 0.811 nan 8.150 nan 0.000 0.449 1053 T N -5.147 109.313 114.554 -0.157 0.000 3.145 1053 T HA 0.441 4.789 4.350 -0.003 0.000 0.255 1053 T C 1.141 175.768 174.700 -0.122 0.000 1.039 1053 T CA 0.960 62.989 62.100 -0.118 0.000 0.928 1053 T CB 0.133 68.942 68.868 -0.098 0.000 1.029 1053 T HN 1.666 nan 8.240 nan 0.000 0.554 1054 G N 0.754 109.461 108.800 -0.155 0.000 2.132 1054 G HA2 -0.166 3.792 3.960 -0.003 0.000 0.234 1054 G HA3 -0.166 3.792 3.960 -0.003 0.000 0.234 1054 G C -0.367 174.440 174.900 -0.156 0.000 0.989 1054 G CA 0.099 45.113 45.100 -0.143 0.000 0.676 1054 G HN 0.584 nan 8.290 nan 0.000 0.522 1055 D N -0.474 119.811 120.400 -0.192 0.000 2.650 1055 D HA 0.698 5.336 4.640 -0.003 0.000 0.255 1055 D C 0.891 177.016 176.300 -0.291 0.000 1.135 1055 D CA 0.830 54.715 54.000 -0.191 0.000 1.099 1055 D CB 1.424 42.142 40.800 -0.138 0.000 1.273 1055 D HN 1.342 nan 8.370 nan 0.000 0.628 1056 G N 0.291 108.914 108.800 -0.295 0.000 2.526 1056 G HA2 -0.083 3.876 3.960 -0.003 0.000 0.250 1056 G HA3 -0.083 3.876 3.960 -0.003 0.000 0.250 1056 G C -2.870 171.694 174.900 -0.560 0.000 1.289 1056 G CA -0.794 43.993 45.100 -0.521 0.000 0.947 1056 G HN 0.406 nan 8.290 nan 0.000 0.517 1057 P HA 0.346 nan 4.420 nan 0.000 0.278 1057 P C -0.119 177.008 177.300 -0.289 0.000 1.258 1057 P CA -0.200 62.521 63.100 -0.633 0.000 0.811 1057 P CB 1.172 32.253 31.700 -1.032 0.000 1.063 1058 D N 0.139 120.427 120.400 -0.187 0.000 2.162 1058 D HA 0.073 4.711 4.640 -0.003 0.000 0.203 1058 D C 0.662 176.917 176.300 -0.076 0.000 0.967 1058 D CA 1.355 55.289 54.000 -0.110 0.000 0.840 1058 D CB 0.367 41.110 40.800 -0.094 0.000 0.972 1058 D HN 0.356 nan 8.370 nan 0.000 0.482 1059 I N 1.006 121.535 120.570 -0.068 0.000 2.582 1059 I HA 0.366 4.534 4.170 -0.003 0.000 0.292 1059 I C -0.681 175.452 176.117 0.026 0.000 1.066 1059 I CA -0.782 60.500 61.300 -0.029 0.000 1.053 1059 I CB 3.192 41.215 38.000 0.038 0.000 1.241 1059 I HN -0.206 nan 8.210 nan 0.000 0.421 1060 I N 5.046 125.583 120.570 -0.056 0.000 2.545 1060 I HA 0.501 4.669 4.170 -0.003 0.000 0.292 1060 I C -1.580 174.689 176.117 0.253 0.000 1.040 1060 I CA -0.483 60.871 61.300 0.090 0.000 1.068 1060 I CB 1.742 39.536 38.000 -0.343 0.000 1.251 1060 I HN 0.334 nan 8.210 nan 0.000 0.424 1061 F N 7.714 127.889 119.950 0.374 0.000 2.427 1061 F HA 0.567 5.092 4.527 -0.003 0.000 0.346 1061 F C -0.470 175.614 175.800 0.473 0.000 1.120 1061 F CA -0.110 58.124 58.000 0.391 0.000 1.033 1061 F CB 1.307 40.465 39.000 0.262 0.000 1.126 1061 F HN 0.430 nan 8.300 nan 0.000 0.462 1062 W N 1.882 123.305 121.300 0.205 0.000 3.057 1062 W HA 0.567 5.227 4.660 -0.001 0.000 0.328 1062 W C -1.340 174.956 176.519 -0.372 0.000 1.232 1062 W CA -1.374 55.944 57.345 -0.045 0.000 1.187 1062 W CB 1.401 30.878 29.460 0.029 0.000 1.417 1062 W HN 0.633 nan 8.180 nan 0.000 0.569 1063 A N 1.716 124.190 122.820 -0.577 0.000 2.561 1063 A HA 0.007 4.325 4.320 -0.003 0.000 0.234 1063 A C 1.073 178.382 177.584 -0.457 0.000 1.055 1063 A CA 1.359 53.157 52.037 -0.398 0.000 0.756 1063 A CB -0.140 18.625 19.000 -0.392 0.000 0.986 1063 A HN 0.853 nan 8.150 nan 0.000 0.505 1064 H N 1.230 120.084 119.070 -0.359 0.000 2.422 1064 H HA -0.188 4.366 4.556 -0.003 0.000 0.298 1064 H C 1.273 176.488 175.328 -0.187 0.000 1.098 1064 H CA 1.717 57.554 56.048 -0.351 0.000 1.315 1064 H CB -0.140 29.549 29.762 -0.122 0.000 1.382 1064 H HN 0.740 nan 8.280 nan 0.000 0.523 1065 D N 0.739 120.591 120.400 -0.913 0.000 2.182 1065 D HA -0.199 4.440 4.640 -0.003 0.000 0.201 1065 D C 1.927 178.095 176.300 -0.219 0.000 0.986 1065 D CA 0.744 54.474 54.000 -0.451 0.000 0.847 1065 D CB -0.325 40.228 40.800 -0.411 0.000 0.942 1065 D HN 0.281 nan 8.370 nan 0.000 0.467 1066 R N -0.289 120.061 120.500 -0.249 0.000 2.148 1066 R HA -0.020 4.318 4.340 -0.003 0.000 0.227 1066 R C 1.912 177.928 176.300 -0.474 0.000 1.103 1066 R CA 0.223 56.118 56.100 -0.341 0.000 0.983 1066 R CB -0.618 29.476 30.300 -0.343 0.000 0.874 1066 R HN 0.235 nan 8.270 nan 0.000 0.451 1067 F N -0.256 119.464 119.950 -0.384 0.000 2.451 1067 F HA 0.018 4.544 4.527 -0.003 0.000 0.299 1067 F C 2.282 177.944 175.800 -0.230 0.000 1.101 1067 F CA 0.669 58.512 58.000 -0.262 0.000 1.436 1067 F CB -1.235 37.764 39.000 -0.002 0.000 1.074 1067 F HN 0.089 nan 8.300 nan 0.000 0.553 1068 G N -0.003 108.775 108.800 -0.037 0.000 2.404 1068 G HA2 -0.151 3.807 3.960 -0.003 0.000 0.215 1068 G HA3 -0.151 3.807 3.960 -0.003 0.000 0.215 1068 G C 2.075 176.752 174.900 -0.373 0.000 1.174 1068 G CA 0.772 45.767 45.100 -0.176 0.000 0.780 1068 G HN 0.453 nan 8.290 nan 0.000 0.537 1069 G N -0.183 108.496 108.800 -0.202 0.000 2.422 1069 G HA2 -0.157 3.802 3.960 -0.003 0.000 0.218 1069 G HA3 -0.157 3.802 3.960 -0.003 0.000 0.218 1069 G C 1.633 176.539 174.900 0.011 0.000 1.146 1069 G CA 0.963 45.999 45.100 -0.106 0.000 0.769 1069 G HN 0.371 nan 8.290 nan 0.000 0.547 1070 Y N 1.235 121.513 120.300 -0.037 0.000 2.200 1070 Y HA 0.096 4.643 4.550 -0.004 0.000 0.290 1070 Y C 3.094 178.932 175.900 -0.103 0.000 1.137 1070 Y CA 0.048 58.147 58.100 -0.001 0.000 1.163 1070 Y CB -1.176 37.340 38.460 0.094 0.000 0.988 1070 Y HN 0.261 nan 8.280 nan 0.000 0.518 1071 A N -0.138 122.632 122.820 -0.084 0.000 1.972 1071 A HA -0.247 4.071 4.320 -0.003 0.000 0.219 1071 A C 2.280 179.727 177.584 -0.227 0.000 1.169 1071 A CA 1.616 53.528 52.037 -0.209 0.000 0.635 1071 A CB -0.823 17.949 19.000 -0.380 0.000 0.810 1071 A HN 0.535 nan 8.150 nan 0.000 0.446 1072 Q N -0.242 119.344 119.800 -0.356 0.000 2.124 1072 Q HA -0.122 4.217 4.340 -0.003 0.000 0.202 1072 Q C 1.367 177.380 176.000 0.022 0.000 0.977 1072 Q CA 1.689 57.453 55.803 -0.066 0.000 0.850 1072 Q CB -0.101 28.628 28.738 -0.014 0.000 0.901 1072 Q HN 0.542 nan 8.270 nan 0.000 0.429 1073 S N -0.787 114.916 115.700 0.005 0.000 2.634 1073 S HA 0.203 4.671 4.470 -0.003 0.000 0.221 1073 S C 0.609 175.207 174.600 -0.003 0.000 0.952 1073 S CA 0.450 58.657 58.200 0.011 0.000 0.930 1073 S CB 0.602 63.808 63.200 0.010 0.000 0.780 1073 S HN 0.681 nan 8.310 nan 0.000 0.498 1074 G N 1.665 110.468 108.800 0.005 0.000 2.273 1074 G HA2 -0.241 3.717 3.960 -0.003 0.000 0.280 1074 G HA3 -0.241 3.717 3.960 -0.003 0.000 0.280 1074 G C 0.460 175.347 174.900 -0.022 0.000 1.047 1074 G CA 0.326 45.427 45.100 0.001 0.000 0.869 1074 G HN 0.549 nan 8.290 nan 0.000 0.502 1075 L N -1.444 119.770 121.223 -0.015 0.000 2.529 1075 L HA 0.364 4.702 4.340 -0.003 0.000 0.223 1075 L C 1.251 178.128 176.870 0.012 0.000 1.113 1075 L CA 0.372 55.185 54.840 -0.045 0.000 0.861 1075 L CB -0.037 41.981 42.059 -0.068 0.000 1.012 1075 L HN 0.240 nan 8.230 nan 0.000 0.461 1076 L N -0.070 121.161 121.223 0.013 0.000 2.346 1076 L HA 0.644 4.983 4.340 -0.003 0.000 0.274 1076 L C 0.133 176.997 176.870 -0.010 0.000 1.007 1076 L CA -0.620 54.212 54.840 -0.014 0.000 0.818 1076 L CB 1.838 43.855 42.059 -0.070 0.000 1.284 1076 L HN -0.119 nan 8.230 nan 0.000 0.424 1077 A N 1.813 124.625 122.820 -0.013 0.000 2.322 1077 A HA 0.296 4.615 4.320 -0.003 0.000 0.269 1077 A C -0.117 177.470 177.584 0.004 0.000 1.094 1077 A CA -0.333 51.703 52.037 -0.002 0.000 0.807 1077 A CB 0.568 19.569 19.000 0.000 0.000 1.047 1077 A HN 0.793 nan 8.150 nan 0.000 0.487 1078 E N 1.151 121.356 120.200 0.008 0.000 2.316 1078 E HA 0.372 4.721 4.350 -0.003 0.000 0.275 1078 E C -0.172 176.423 176.600 -0.009 0.000 1.029 1078 E CA -0.343 56.060 56.400 0.005 0.000 0.871 1078 E CB 0.335 30.039 29.700 0.007 0.000 1.022 1078 E HN 0.553 nan 8.360 nan 0.000 0.418 1079 I N 1.342 121.888 120.570 -0.041 0.000 2.677 1079 I HA 0.386 4.554 4.170 -0.003 0.000 0.305 1079 I C 0.200 176.262 176.117 -0.092 0.000 0.988 1079 I CA -0.672 60.585 61.300 -0.072 0.000 1.260 1079 I CB 1.740 39.585 38.000 -0.257 0.000 1.410 1079 I HN 0.438 nan 8.210 nan 0.000 0.523 1080 T N 0.395 114.913 114.554 -0.061 0.000 3.516 1080 T HA 0.420 4.769 4.350 -0.003 0.000 0.245 1080 T C -2.346 172.307 174.700 -0.077 0.000 1.077 1080 T CA -1.238 60.821 62.100 -0.067 0.000 1.222 1080 T CB -0.423 68.429 68.868 -0.028 0.000 1.045 1080 T HN 0.572 nan 8.240 nan 0.000 0.585 1081 P HA 0.253 nan 4.420 nan 0.000 0.276 1081 P C -0.270 176.987 177.300 -0.071 0.000 1.235 1081 P CA -0.072 62.962 63.100 -0.109 0.000 0.772 1081 P CB 0.943 32.594 31.700 -0.081 0.000 0.871 1082 D N 3.217 123.624 120.400 0.012 0.000 2.393 1082 D HA 0.020 4.658 4.640 -0.003 0.000 0.246 1082 D C 1.226 177.536 176.300 0.018 0.000 1.275 1082 D CA -0.276 53.728 54.000 0.007 0.000 0.979 1082 D CB 0.533 41.352 40.800 0.033 0.000 1.101 1082 D HN 0.046 nan 8.370 nan 0.000 0.505 1083 K N 0.045 120.438 120.400 -0.012 0.000 2.032 1083 K HA -0.133 4.185 4.320 -0.003 0.000 0.209 1083 K C 2.009 178.626 176.600 0.028 0.000 1.048 1083 K CA 1.729 58.002 56.287 -0.023 0.000 0.927 1083 K CB -1.082 31.404 32.500 -0.023 0.000 0.712 1083 K HN 0.596 nan 8.250 nan 0.000 0.441 1084 A N 0.663 123.519 122.820 0.060 0.000 1.940 1084 A HA -0.179 4.139 4.320 -0.003 0.000 0.219 1084 A C 2.144 179.793 177.584 0.108 0.000 1.176 1084 A CA 1.421 53.500 52.037 0.071 0.000 0.631 1084 A CB -0.689 18.355 19.000 0.074 0.000 0.814 1084 A HN 0.318 nan 8.150 nan 0.000 0.446 1085 F N 0.500 120.481 119.950 0.052 0.000 2.128 1085 F HA -0.139 4.386 4.527 -0.003 0.000 0.295 1085 F C 2.527 178.449 175.800 0.205 0.000 1.100 1085 F CA 2.008 60.083 58.000 0.124 0.000 1.260 1085 F CB -0.354 38.741 39.000 0.158 0.000 1.009 1085 F HN 0.293 nan 8.300 nan 0.000 0.476 1086 Q N -0.025 119.942 119.800 0.277 0.000 2.135 1086 Q HA -0.236 4.102 4.340 -0.003 0.000 0.204 1086 Q C 1.669 177.823 176.000 0.256 0.000 0.981 1086 Q CA 1.726 57.652 55.803 0.205 0.000 0.856 1086 Q CB -0.390 28.115 28.738 -0.389 0.000 0.902 1086 Q HN 0.412 nan 8.270 nan 0.000 0.425 1087 D N 0.419 120.868 120.400 0.082 0.000 2.263 1087 D HA -0.116 4.522 4.640 -0.003 0.000 0.208 1087 D C 1.400 177.689 176.300 -0.018 0.000 0.971 1087 D CA 0.852 54.878 54.000 0.044 0.000 0.867 1087 D CB 0.012 40.819 40.800 0.013 0.000 0.929 1087 D HN 0.101 nan 8.370 nan 0.000 0.492 1088 K N -0.096 120.250 120.400 -0.089 0.000 2.439 1088 K HA 0.014 4.332 4.320 -0.003 0.000 0.197 1088 K C 0.496 176.958 176.600 -0.229 0.000 1.041 1088 K CA 0.166 56.335 56.287 -0.196 0.000 0.970 1088 K CB 0.247 32.546 32.500 -0.336 0.000 0.773 1088 K HN 0.149 nan 8.250 nan 0.000 0.479 1089 L N -0.168 120.978 121.223 -0.128 0.000 2.319 1089 L HA 0.295 4.633 4.340 -0.003 0.000 0.267 1089 L C -0.320 176.456 176.870 -0.157 0.000 1.011 1089 L CA -1.078 53.641 54.840 -0.202 0.000 0.818 1089 L CB 0.538 42.452 42.059 -0.243 0.000 1.316 1089 L HN -0.052 nan 8.230 nan 0.000 0.432 1090 Y N 2.472 122.761 120.300 -0.019 0.000 2.632 1090 Y HA 0.021 4.569 4.550 -0.003 0.000 0.329 1090 Y C -1.297 174.657 175.900 0.089 0.000 1.174 1090 Y CA -0.952 57.204 58.100 0.094 0.000 1.469 1090 Y CB -0.161 38.422 38.460 0.205 0.000 1.242 1090 Y HN 0.549 nan 8.280 nan 0.000 0.540 1091 P HA -0.303 nan 4.420 nan 0.000 0.217 1091 P C 1.518 179.016 177.300 0.330 0.000 1.158 1091 P CA 1.985 65.303 63.100 0.363 0.000 0.887 1091 P CB -0.160 31.720 31.700 0.300 0.000 0.792 1092 F N 0.005 120.056 119.950 0.169 0.000 2.269 1092 F HA -0.150 4.375 4.527 -0.003 0.000 0.301 1092 F C 1.814 177.642 175.800 0.047 0.000 1.082 1092 F CA 1.682 59.743 58.000 0.101 0.000 1.360 1092 F CB -2.433 36.601 39.000 0.057 0.000 1.041 1092 F HN -0.067 nan 8.300 nan 0.000 0.512 1093 T N -3.331 110.706 114.554 -0.862 0.000 2.833 1093 T HA -0.245 4.104 4.350 -0.003 0.000 0.269 1093 T C 1.543 175.997 174.700 -0.410 0.000 1.054 1093 T CA 1.274 62.895 62.100 -0.797 0.000 1.135 1093 T CB -1.334 67.063 68.868 -0.785 0.000 0.869 1093 T HN 0.582 nan 8.240 nan 0.000 0.466 1094 W N 1.939 123.164 121.300 -0.125 0.000 2.525 1094 W HA 0.116 4.773 4.660 -0.004 0.000 0.259 1094 W C 1.667 178.176 176.519 -0.017 0.000 1.253 1094 W CA -0.005 57.318 57.345 -0.038 0.000 1.262 1094 W CB -0.038 29.428 29.460 0.010 0.000 1.122 1094 W HN 0.254 nan 8.180 nan 0.000 0.607 1095 D N -0.330 120.157 120.400 0.145 0.000 2.347 1095 D HA -0.008 4.630 4.640 -0.003 0.000 0.215 1095 D C 1.892 178.135 176.300 -0.095 0.000 0.976 1095 D CA 0.886 54.922 54.000 0.060 0.000 0.884 1095 D CB -0.020 40.769 40.800 -0.018 0.000 0.915 1095 D HN 0.173 nan 8.370 nan 0.000 0.526 1096 A N 0.400 123.139 122.820 -0.134 0.000 2.308 1096 A HA 0.101 4.419 4.320 -0.003 0.000 0.217 1096 A C 1.499 179.068 177.584 -0.026 0.000 1.216 1096 A CA 0.037 51.914 52.037 -0.266 0.000 0.864 1096 A CB 0.235 18.822 19.000 -0.689 0.000 0.902 1096 A HN 0.139 nan 8.150 nan 0.000 0.499 1097 V N -1.241 118.731 119.914 0.097 0.000 2.940 1097 V HA 0.413 4.532 4.120 -0.003 0.000 0.366 1097 V C -0.018 176.229 176.094 0.256 0.000 1.353 1097 V CA -0.605 61.824 62.300 0.214 0.000 1.232 1097 V CB -1.157 30.785 31.823 0.198 0.000 1.278 1097 V HN 0.523 nan 8.190 nan 0.000 0.546 1098 R N -0.516 120.143 120.500 0.266 0.000 2.686 1098 R HA 0.632 4.970 4.340 -0.003 0.000 0.286 1098 R C -2.102 174.403 176.300 0.342 0.000 0.969 1098 R CA -0.804 55.456 56.100 0.266 0.000 0.898 1098 R CB 2.209 32.639 30.300 0.216 0.000 1.183 1098 R HN 0.212 nan 8.270 nan 0.000 0.456 1099 Y N 2.623 123.014 120.300 0.152 0.000 2.332 1099 Y HA 0.255 4.803 4.550 -0.004 0.000 0.326 1099 Y C -0.538 175.424 175.900 0.103 0.000 0.978 1099 Y CA -0.875 57.312 58.100 0.145 0.000 1.205 1099 Y CB 1.175 39.714 38.460 0.132 0.000 1.131 1099 Y HN 0.901 nan 8.280 nan 0.000 0.462 1100 N N 4.277 122.867 118.700 -0.183 0.000 2.756 1100 N HA -0.204 4.535 4.740 -0.003 0.000 0.248 1100 N C 0.971 176.463 175.510 -0.029 0.000 1.062 1100 N CA 1.478 54.447 53.050 -0.137 0.000 0.696 1100 N CB -1.097 37.312 38.487 -0.130 0.000 0.946 1100 N HN 1.288 nan 8.380 nan 0.000 0.548 1101 G N -0.567 108.230 108.800 -0.004 0.000 2.347 1101 G HA2 -0.399 3.559 3.960 -0.003 0.000 0.247 1101 G HA3 -0.399 3.559 3.960 -0.003 0.000 0.247 1101 G C 0.061 174.984 174.900 0.038 0.000 1.037 1101 G CA 1.110 46.212 45.100 0.003 0.000 0.622 1101 G HN 0.772 nan 8.290 nan 0.000 0.521 1102 K N 0.852 121.290 120.400 0.064 0.000 2.249 1102 K HA 0.676 4.994 4.320 -0.003 0.000 0.280 1102 K C -0.206 176.453 176.600 0.099 0.000 1.033 1102 K CA -1.035 55.292 56.287 0.067 0.000 0.946 1102 K CB 1.820 34.362 32.500 0.070 0.000 1.005 1102 K HN 0.064 nan 8.250 nan 0.000 0.469 1103 L N 4.185 125.443 121.223 0.058 0.000 2.418 1103 L HA 0.052 4.390 4.340 -0.003 0.000 0.274 1103 L C 0.300 177.208 176.870 0.063 0.000 1.135 1103 L CA 0.145 55.029 54.840 0.073 0.000 0.870 1103 L CB 0.471 42.524 42.059 -0.010 0.000 1.154 1103 L HN 0.829 nan 8.230 nan 0.000 0.462 1104 I N 1.470 122.106 120.570 0.110 0.000 4.050 1104 I HA 0.772 4.940 4.170 -0.003 0.000 0.327 1104 I C 0.137 176.292 176.117 0.063 0.000 1.473 1104 I CA -0.234 61.110 61.300 0.074 0.000 1.124 1104 I CB -0.046 38.012 38.000 0.098 0.000 1.129 1104 I HN 0.415 nan 8.210 nan 0.000 0.428 1105 A N -0.239 122.638 122.820 0.094 0.000 2.583 1105 A HA 0.701 5.019 4.320 -0.003 0.000 0.292 1105 A C -2.066 175.577 177.584 0.097 0.000 1.045 1105 A CA -0.531 51.596 52.037 0.151 0.000 0.672 1105 A CB 0.417 19.660 19.000 0.405 0.000 1.283 1105 A HN 0.100 nan 8.150 nan 0.000 0.419 1106 Y N 0.804 121.181 120.300 0.128 0.000 2.326 1106 Y HA 0.473 5.021 4.550 -0.003 0.000 0.337 1106 Y C -2.232 173.631 175.900 -0.062 0.000 1.023 1106 Y CA -1.830 56.307 58.100 0.063 0.000 1.143 1106 Y CB 1.210 39.723 38.460 0.087 0.000 1.183 1106 Y HN 0.382 nan 8.280 nan 0.000 0.485 1107 P HA 0.067 nan 4.420 nan 0.000 0.271 1107 P C -0.102 177.164 177.300 -0.057 0.000 1.216 1107 P CA 0.264 63.251 63.100 -0.188 0.000 0.771 1107 P CB 1.029 32.436 31.700 -0.489 0.000 0.864 1108 I N 1.102 121.683 120.570 0.018 0.000 3.518 1108 I HA 0.324 4.492 4.170 -0.003 0.000 0.260 1108 I C 0.918 177.079 176.117 0.073 0.000 1.148 1108 I CA 0.408 61.767 61.300 0.097 0.000 1.440 1108 I CB -1.083 37.054 38.000 0.229 0.000 1.485 1108 I HN 0.250 nan 8.210 nan 0.000 0.456 1109 A N 0.887 123.742 122.820 0.059 0.000 2.430 1109 A HA 0.776 5.094 4.320 -0.003 0.000 0.300 1109 A C -1.099 176.501 177.584 0.027 0.000 1.124 1109 A CA -0.381 51.687 52.037 0.051 0.000 0.766 1109 A CB 2.071 21.106 19.000 0.059 0.000 1.328 1109 A HN -0.094 nan 8.150 nan 0.000 0.424 1110 V N 0.936 120.876 119.914 0.044 0.000 2.588 1110 V HA 0.589 4.707 4.120 -0.003 0.000 0.304 1110 V C -0.305 175.838 176.094 0.081 0.000 1.042 1110 V CA -0.448 61.894 62.300 0.070 0.000 0.877 1110 V CB 1.554 33.443 31.823 0.109 0.000 0.996 1110 V HN 0.967 nan 8.190 nan 0.000 0.425 1111 E N 3.062 123.332 120.200 0.117 0.000 2.266 1111 E HA 0.846 5.194 4.350 -0.003 0.000 0.268 1111 E C -1.044 175.671 176.600 0.192 0.000 0.879 1111 E CA -0.527 55.949 56.400 0.127 0.000 0.762 1111 E CB 2.340 32.132 29.700 0.154 0.000 1.199 1111 E HN 0.955 nan 8.360 nan 0.000 0.422 1112 A N 3.615 126.521 122.820 0.143 0.000 2.601 1112 A HA 0.440 4.758 4.320 -0.003 0.000 0.291 1112 A C -1.537 176.071 177.584 0.039 0.000 1.075 1112 A CA -0.771 51.355 52.037 0.148 0.000 0.671 1112 A CB 0.744 19.805 19.000 0.101 0.000 1.277 1112 A HN 0.594 nan 8.150 nan 0.000 0.417 1113 L N 1.097 122.323 121.223 0.004 0.000 2.436 1113 L HA 0.565 4.903 4.340 -0.003 0.000 0.265 1113 L C 0.544 177.378 176.870 -0.060 0.000 1.168 1113 L CA 0.010 54.803 54.840 -0.078 0.000 0.815 1113 L CB 1.346 43.322 42.059 -0.139 0.000 1.109 1113 L HN 0.713 nan 8.230 nan 0.000 0.462 1114 S N 1.397 117.065 115.700 -0.053 0.000 2.661 1114 S HA 0.485 4.953 4.470 -0.003 0.000 0.285 1114 S C -0.911 173.655 174.600 -0.057 0.000 1.138 1114 S CA -0.669 57.515 58.200 -0.027 0.000 0.855 1114 S CB 1.951 65.181 63.200 0.050 0.000 1.136 1114 S HN 0.416 nan 8.310 nan 0.000 0.484 1115 L N 2.791 123.971 121.223 -0.071 0.000 2.278 1115 L HA 0.495 4.833 4.340 -0.003 0.000 0.287 1115 L C -1.321 175.545 176.870 -0.006 0.000 1.072 1115 L CA -0.171 54.609 54.840 -0.101 0.000 0.819 1115 L CB -0.064 41.901 42.059 -0.157 0.000 1.176 1115 L HN 0.593 nan 8.230 nan 0.000 0.435 1116 I N 6.002 126.527 120.570 -0.075 0.000 2.359 1116 I HA 0.306 4.474 4.170 -0.003 0.000 0.294 1116 I C -0.745 175.347 176.117 -0.042 0.000 0.987 1116 I CA -0.670 60.569 61.300 -0.102 0.000 1.225 1116 I CB 1.348 39.145 38.000 -0.339 0.000 1.366 1116 I HN 0.481 nan 8.210 nan 0.000 0.466 1117 Y N 4.242 124.569 120.300 0.045 0.000 2.581 1117 Y HA 0.487 5.036 4.550 -0.003 0.000 0.345 1117 Y C -0.803 175.361 175.900 0.440 0.000 1.036 1117 Y CA -1.609 56.644 58.100 0.255 0.000 1.042 1117 Y CB 0.849 39.361 38.460 0.087 0.000 1.289 1117 Y HN 0.428 nan 8.280 nan 0.000 0.471 1118 N N 2.487 121.427 118.700 0.399 0.000 2.437 1118 N HA 0.139 4.878 4.740 -0.003 0.000 0.243 1118 N C 0.123 175.692 175.510 0.098 0.000 1.041 1118 N CA -0.041 53.063 53.050 0.091 0.000 0.940 1118 N CB 0.934 39.377 38.487 -0.073 0.000 1.133 1118 N HN 0.886 nan 8.380 nan 0.000 0.506 1119 K N 1.798 122.175 120.400 -0.039 0.000 2.211 1119 K HA -0.121 4.197 4.320 -0.003 0.000 0.204 1119 K C 0.471 177.099 176.600 0.047 0.000 1.047 1119 K CA 1.146 57.458 56.287 0.042 0.000 0.935 1119 K CB 0.348 32.808 32.500 -0.067 0.000 0.728 1119 K HN 0.501 nan 8.250 nan 0.000 0.452 1120 D N 0.810 121.212 120.400 0.003 0.000 2.103 1120 D HA -0.084 4.554 4.640 -0.003 0.000 0.199 1120 D C 1.915 178.221 176.300 0.011 0.000 0.978 1120 D CA 1.009 55.007 54.000 -0.003 0.000 0.829 1120 D CB -0.055 40.728 40.800 -0.028 0.000 0.981 1120 D HN 0.128 nan 8.370 nan 0.000 0.464 1121 L N -0.558 120.675 121.223 0.016 0.000 2.179 1121 L HA 0.035 4.373 4.340 -0.003 0.000 0.208 1121 L C 0.641 177.541 176.870 0.051 0.000 1.096 1121 L CA 0.363 55.217 54.840 0.024 0.000 0.779 1121 L CB 0.299 42.366 42.059 0.013 0.000 0.922 1121 L HN -0.026 nan 8.230 nan 0.000 0.443 1122 L N 0.701 121.984 121.223 0.100 0.000 2.480 1122 L HA 0.335 4.673 4.340 -0.003 0.000 0.253 1122 L C -1.851 175.113 176.870 0.156 0.000 1.324 1122 L CA -1.341 53.563 54.840 0.108 0.000 0.916 1122 L CB 0.986 43.120 42.059 0.126 0.000 1.160 1122 L HN -0.256 nan 8.230 nan 0.000 0.503 1123 P HA -0.059 nan 4.420 nan 0.000 0.222 1123 P C -0.369 176.951 177.300 0.034 0.000 1.147 1123 P CA 0.889 64.052 63.100 0.105 0.000 0.790 1123 P CB 0.304 32.033 31.700 0.047 0.000 0.780 1124 N N 1.032 119.704 118.700 -0.047 0.000 2.804 1124 N HA 0.222 4.960 4.740 -0.003 0.000 0.251 1124 N C -2.439 172.950 175.510 -0.201 0.000 1.250 1124 N CA -1.228 51.746 53.050 -0.127 0.000 0.820 1124 N CB 1.130 39.569 38.487 -0.080 0.000 1.156 1124 N HN 0.229 nan 8.380 nan 0.000 0.512 1125 P HA 0.141 nan 4.420 nan 0.000 0.269 1125 P C -2.491 174.641 177.300 -0.280 0.000 1.215 1125 P CA -0.655 62.204 63.100 -0.401 0.000 0.780 1125 P CB -0.013 31.219 31.700 -0.779 0.000 0.898 1126 P HA 0.075 nan 4.420 nan 0.000 0.268 1126 P C 0.434 177.607 177.300 -0.211 0.000 1.204 1126 P CA -0.036 62.953 63.100 -0.185 0.000 0.768 1126 P CB 0.811 32.412 31.700 -0.164 0.000 0.842 1127 K N 0.652 120.955 120.400 -0.162 0.000 2.361 1127 K HA 0.071 4.390 4.320 -0.003 0.000 0.196 1127 K C 1.132 177.647 176.600 -0.142 0.000 1.039 1127 K CA 0.818 57.014 56.287 -0.152 0.000 1.001 1127 K CB -0.085 32.349 32.500 -0.111 0.000 0.795 1127 K HN 0.674 nan 8.250 nan 0.000 0.495 1128 T N -4.353 110.125 114.554 -0.127 0.000 2.907 1128 T HA 0.306 4.654 4.350 -0.003 0.000 0.292 1128 T C 0.480 175.135 174.700 -0.075 0.000 1.043 1128 T CA -0.888 61.167 62.100 -0.074 0.000 1.003 1128 T CB 1.047 69.904 68.868 -0.018 0.000 1.084 1128 T HN 0.112 nan 8.240 nan 0.000 0.483 1129 W N 0.673 121.915 121.300 -0.097 0.000 2.388 1129 W HA 0.111 4.770 4.660 -0.003 0.000 0.294 1129 W C 2.185 178.682 176.519 -0.037 0.000 1.212 1129 W CA 0.772 58.040 57.345 -0.128 0.000 1.271 1129 W CB -0.161 29.062 29.460 -0.395 0.000 1.126 1129 W HN 0.825 nan 8.180 nan 0.000 0.535 1130 E N 0.261 120.546 120.200 0.142 0.000 2.209 1130 E HA -0.242 4.106 4.350 -0.003 0.000 0.196 1130 E C 1.796 178.547 176.600 0.251 0.000 0.993 1130 E CA 1.717 58.273 56.400 0.259 0.000 0.819 1130 E CB -0.392 29.391 29.700 0.138 0.000 0.745 1130 E HN 0.515 nan 8.360 nan 0.000 0.477 1131 E N 0.229 120.509 120.200 0.134 0.000 2.479 1131 E HA -0.004 4.344 4.350 -0.003 0.000 0.193 1131 E C 1.644 178.274 176.600 0.049 0.000 1.049 1131 E CA 0.080 56.522 56.400 0.071 0.000 0.870 1131 E CB -0.039 29.669 29.700 0.013 0.000 0.944 1131 E HN 0.279 nan 8.360 nan 0.000 0.492 1132 I N 1.545 122.173 120.570 0.097 0.000 2.252 1132 I HA -0.122 4.046 4.170 -0.003 0.000 0.245 1132 I C -0.565 175.500 176.117 -0.087 0.000 1.102 1132 I CA 0.721 62.041 61.300 0.034 0.000 1.385 1132 I CB -1.115 36.952 38.000 0.112 0.000 1.064 1132 I HN 0.102 nan 8.210 nan 0.000 0.414 1133 P HA -0.212 nan 4.420 nan 0.000 0.214 1133 P C 1.542 178.657 177.300 -0.308 0.000 1.163 1133 P CA 2.000 64.766 63.100 -0.556 0.000 0.889 1133 P CB -0.020 31.575 31.700 -0.176 0.000 0.790 1134 A N -0.967 121.802 122.820 -0.084 0.000 1.933 1134 A HA -0.175 4.143 4.320 -0.003 0.000 0.218 1134 A C 2.137 179.703 177.584 -0.030 0.000 1.175 1134 A CA 1.458 53.481 52.037 -0.023 0.000 0.628 1134 A CB -1.641 17.364 19.000 0.009 0.000 0.814 1134 A HN 0.175 nan 8.150 nan 0.000 0.444 1135 L N -0.033 121.164 121.223 -0.044 0.000 2.156 1135 L HA -0.092 4.246 4.340 -0.003 0.000 0.208 1135 L C 1.831 178.686 176.870 -0.025 0.000 1.095 1135 L CA 2.537 57.359 54.840 -0.030 0.000 0.770 1135 L CB -0.480 41.560 42.059 -0.032 0.000 0.914 1135 L HN 0.440 nan 8.230 nan 0.000 0.439 1136 D N -0.672 119.690 120.400 -0.064 0.000 2.144 1136 D HA -0.192 4.446 4.640 -0.003 0.000 0.200 1136 D C 2.071 178.395 176.300 0.040 0.000 0.978 1136 D CA 1.317 55.307 54.000 -0.016 0.000 0.833 1136 D CB 0.098 40.854 40.800 -0.074 0.000 0.961 1136 D HN 0.302 nan 8.370 nan 0.000 0.470 1137 K N 0.056 120.477 120.400 0.035 0.000 2.057 1137 K HA -0.138 4.180 4.320 -0.003 0.000 0.207 1137 K C 2.211 178.836 176.600 0.041 0.000 1.049 1137 K CA 1.211 57.538 56.287 0.067 0.000 0.931 1137 K CB -0.104 32.438 32.500 0.071 0.000 0.714 1137 K HN 0.295 nan 8.250 nan 0.000 0.440 1138 E N 0.879 121.094 120.200 0.024 0.000 2.077 1138 E HA -0.140 4.208 4.350 -0.003 0.000 0.193 1138 E C 2.066 178.678 176.600 0.020 0.000 0.989 1138 E CA 0.905 57.315 56.400 0.018 0.000 0.800 1138 E CB -0.043 29.663 29.700 0.009 0.000 0.746 1138 E HN 0.200 nan 8.360 nan 0.000 0.452 1139 L N 0.755 121.992 121.223 0.022 0.000 2.141 1139 L HA -0.147 4.191 4.340 -0.003 0.000 0.209 1139 L C 2.192 179.080 176.870 0.030 0.000 1.094 1139 L CA 1.018 55.873 54.840 0.025 0.000 0.763 1139 L CB -0.212 41.865 42.059 0.030 0.000 0.908 1139 L HN 0.007 nan 8.230 nan 0.000 0.437 1140 K N 0.170 120.593 120.400 0.039 0.000 2.362 1140 K HA -0.051 4.267 4.320 -0.003 0.000 0.200 1140 K C 2.001 178.618 176.600 0.029 0.000 1.046 1140 K CA 0.873 57.184 56.287 0.040 0.000 0.952 1140 K CB -0.091 32.442 32.500 0.054 0.000 0.753 1140 K HN 0.261 nan 8.250 nan 0.000 0.466 1141 A N 1.313 124.148 122.820 0.025 0.000 2.168 1141 A HA -0.101 4.217 4.320 -0.003 0.000 0.215 1141 A C 1.434 179.027 177.584 0.014 0.000 1.152 1141 A CA 1.100 53.148 52.037 0.019 0.000 0.716 1141 A CB -0.014 18.997 19.000 0.017 0.000 0.794 1141 A HN 0.173 nan 8.150 nan 0.000 0.465 1142 K N -1.772 118.637 120.400 0.015 0.000 2.358 1142 K HA 0.301 4.619 4.320 -0.003 0.000 0.200 1142 K C 0.842 177.448 176.600 0.010 0.000 1.030 1142 K CA 0.414 56.707 56.287 0.010 0.000 1.097 1142 K CB 0.480 32.985 32.500 0.009 0.000 0.862 1142 K HN 0.531 nan 8.250 nan 0.000 0.534 1143 G N 2.140 110.949 108.800 0.014 0.000 2.132 1143 G HA2 -0.204 3.754 3.960 -0.003 0.000 0.234 1143 G HA3 -0.204 3.754 3.960 -0.003 0.000 0.234 1143 G C -0.273 174.636 174.900 0.015 0.000 0.989 1143 G CA 0.059 45.167 45.100 0.013 0.000 0.676 1143 G HN 0.048 nan 8.290 nan 0.000 0.522 1144 K N 0.165 120.577 120.400 0.021 0.000 2.340 1144 K HA 0.799 5.117 4.320 -0.003 0.000 0.244 1144 K C 0.246 176.871 176.600 0.042 0.000 0.973 1144 K CA -0.050 56.252 56.287 0.025 0.000 0.828 1144 K CB 1.907 34.418 32.500 0.018 0.000 1.226 1144 K HN 0.618 nan 8.250 nan 0.000 0.437 1145 S N -1.168 114.565 115.700 0.055 0.000 2.648 1145 S HA 0.631 5.099 4.470 -0.003 0.000 0.305 1145 S C 0.741 175.392 174.600 0.085 0.000 1.094 1145 S CA -0.290 57.956 58.200 0.076 0.000 0.983 1145 S CB 1.844 65.096 63.200 0.088 0.000 1.101 1145 S HN 0.559 nan 8.310 nan 0.000 0.514 1146 A N 0.583 123.455 122.820 0.086 0.000 1.874 1146 A HA 0.451 4.769 4.320 -0.003 0.000 0.214 1146 A C 0.525 178.179 177.584 0.116 0.000 1.189 1146 A CA 0.847 52.932 52.037 0.080 0.000 0.615 1146 A CB -0.595 18.429 19.000 0.039 0.000 0.830 1146 A HN 0.975 nan 8.150 nan 0.000 0.443 1147 L N -1.334 119.977 121.223 0.148 0.000 2.445 1147 L HA 0.738 5.076 4.340 -0.003 0.000 0.262 1147 L C -1.296 175.719 176.870 0.242 0.000 0.974 1147 L CA -0.200 54.759 54.840 0.199 0.000 0.822 1147 L CB 1.915 44.102 42.059 0.213 0.000 1.339 1147 L HN 0.303 nan 8.230 nan 0.000 0.409 1148 M N 5.930 125.694 119.600 0.272 0.000 2.255 1148 M HA 0.511 4.989 4.480 -0.003 0.000 0.275 1148 M C -1.694 174.786 176.300 0.299 0.000 1.050 1148 M CA -0.327 55.107 55.300 0.223 0.000 0.978 1148 M CB 1.910 34.596 32.600 0.142 0.000 1.761 1148 M HN 0.582 nan 8.290 nan 0.000 0.479 1149 F N 0.600 120.591 119.950 0.069 0.000 2.662 1149 F HA 0.616 5.141 4.527 -0.003 0.000 0.312 1149 F C -0.671 175.132 175.800 0.005 0.000 1.113 1149 F CA -1.336 56.695 58.000 0.052 0.000 0.951 1149 F CB 0.843 39.942 39.000 0.164 0.000 1.344 1149 F HN 0.477 nan 8.300 nan 0.000 0.462 1150 N N 1.781 120.443 118.700 -0.064 0.000 2.414 1150 N HA 0.099 4.838 4.740 -0.003 0.000 0.268 1150 N C -0.018 175.358 175.510 -0.223 0.000 1.286 1150 N CA 0.199 53.074 53.050 -0.292 0.000 0.896 1150 N CB 0.343 38.396 38.487 -0.722 0.000 1.093 1150 N HN 0.799 nan 8.380 nan 0.000 0.480 1151 L N 2.245 123.313 121.223 -0.258 0.000 2.667 1151 L HA 0.148 4.486 4.340 -0.003 0.000 0.232 1151 L C 1.364 178.211 176.870 -0.040 0.000 1.138 1151 L CA -0.085 54.644 54.840 -0.184 0.000 0.921 1151 L CB 0.084 41.984 42.059 -0.265 0.000 1.180 1151 L HN 0.463 nan 8.230 nan 0.000 0.487 1152 Q N -0.150 119.628 119.800 -0.038 0.000 2.302 1152 Q HA 0.134 4.472 4.340 -0.003 0.000 0.202 1152 Q C 0.346 176.379 176.000 0.054 0.000 0.936 1152 Q CA 0.680 56.482 55.803 -0.002 0.000 0.886 1152 Q CB 0.481 29.202 28.738 -0.029 0.000 0.986 1152 Q HN 0.302 nan 8.270 nan 0.000 0.487 1153 E N 1.669 121.944 120.200 0.124 0.000 2.175 1153 E HA 0.147 4.495 4.350 -0.003 0.000 0.278 1153 E C -1.690 175.146 176.600 0.395 0.000 0.969 1153 E CA -2.147 54.392 56.400 0.231 0.000 0.796 1153 E CB 1.684 31.584 29.700 0.333 0.000 1.104 1153 E HN -0.076 nan 8.360 nan 0.000 0.395 1154 P HA -0.198 nan 4.420 nan 0.000 0.219 1154 P C 1.346 179.081 177.300 0.725 0.000 1.146 1154 P CA 1.046 64.446 63.100 0.500 0.000 0.808 1154 P CB 0.149 32.134 31.700 0.475 0.000 0.779 1155 Y N 0.203 120.824 120.300 0.535 0.000 2.224 1155 Y HA -0.179 4.369 4.550 -0.003 0.000 0.289 1155 Y C 2.021 178.210 175.900 0.481 0.000 1.146 1155 Y CA 1.632 60.058 58.100 0.543 0.000 1.182 1155 Y CB -0.918 37.634 38.460 0.153 0.000 0.983 1155 Y HN -0.248 nan 8.280 nan 0.000 0.524 1156 F N -0.472 119.773 119.950 0.492 0.000 2.367 1156 F HA -0.078 4.447 4.527 -0.003 0.000 0.298 1156 F C 2.538 178.612 175.800 0.457 0.000 1.094 1156 F CA 1.583 59.845 58.000 0.438 0.000 1.409 1156 F CB -0.754 38.574 39.000 0.547 0.000 1.064 1156 F HN 0.125 nan 8.300 nan 0.000 0.528 1157 T N -3.770 111.159 114.554 0.625 0.000 3.057 1157 T HA -0.148 4.200 4.350 -0.003 0.000 0.254 1157 T C 1.905 176.792 174.700 0.311 0.000 1.094 1157 T CA 0.020 62.409 62.100 0.480 0.000 1.088 1157 T CB -0.745 68.341 68.868 0.363 0.000 0.934 1157 T HN 0.488 nan 8.240 nan 0.000 0.497 1158 W N 2.771 124.171 121.300 0.166 0.000 2.342 1158 W HA -0.058 4.601 4.660 -0.002 0.000 0.297 1158 W C -1.655 174.802 176.519 -0.102 0.000 1.213 1158 W CA 0.861 58.230 57.345 0.040 0.000 1.251 1158 W CB -0.998 28.500 29.460 0.065 0.000 1.136 1158 W HN 0.296 nan 8.180 nan 0.000 0.526 1159 P HA -0.262 nan 4.420 nan 0.000 0.216 1159 P C 2.064 179.221 177.300 -0.238 0.000 1.157 1159 P CA 1.997 65.013 63.100 -0.141 0.000 0.880 1159 P CB -0.533 31.152 31.700 -0.024 0.000 0.791 1160 L N -1.250 119.799 121.223 -0.290 0.000 2.056 1160 L HA -0.125 4.213 4.340 -0.003 0.000 0.207 1160 L C 2.244 178.761 176.870 -0.588 0.000 1.078 1160 L CA 1.536 56.019 54.840 -0.595 0.000 0.749 1160 L CB -0.532 40.957 42.059 -0.951 0.000 0.901 1160 L HN -0.082 nan 8.230 nan 0.000 0.433 1161 I N -0.148 120.095 120.570 -0.545 0.000 2.286 1161 I HA -0.260 3.908 4.170 -0.003 0.000 0.248 1161 I C 2.625 178.304 176.117 -0.730 0.000 1.115 1161 I CA 1.182 62.123 61.300 -0.599 0.000 1.392 1161 I CB -0.405 37.237 38.000 -0.596 0.000 1.065 1161 I HN 0.264 nan 8.210 nan 0.000 0.418 1162 A N 0.533 122.776 122.820 -0.963 0.000 2.016 1162 A HA 0.073 4.392 4.320 -0.003 0.000 0.217 1162 A C 2.551 179.943 177.584 -0.321 0.000 1.162 1162 A CA 1.097 52.683 52.037 -0.753 0.000 0.662 1162 A CB -0.579 17.899 19.000 -0.869 0.000 0.812 1162 A HN 0.374 nan 8.150 nan 0.000 0.450 1163 A N 0.479 123.149 122.820 -0.250 0.000 1.894 1163 A HA -0.331 3.988 4.320 -0.003 0.000 0.220 1163 A C 1.713 179.290 177.584 -0.012 0.000 1.237 1163 A CA 2.469 54.463 52.037 -0.072 0.000 0.660 1163 A CB -0.799 18.214 19.000 0.023 0.000 0.835 1163 A HN 0.480 nan 8.150 nan 0.000 0.461 1164 D N -2.813 117.605 120.400 0.030 0.000 2.336 1164 D HA 0.370 5.009 4.640 -0.003 0.000 0.228 1164 D C 0.884 177.178 176.300 -0.010 0.000 1.120 1164 D CA 1.156 55.162 54.000 0.011 0.000 0.839 1164 D CB -0.003 40.817 40.800 0.033 0.000 0.932 1164 D HN 0.559 nan 8.370 nan 0.000 0.509 1165 G N -1.367 107.421 108.800 -0.020 0.000 2.977 1165 G HA2 -0.054 3.905 3.960 -0.003 0.000 0.211 1165 G HA3 -0.054 3.905 3.960 -0.003 0.000 0.211 1165 G C 0.726 175.631 174.900 0.009 0.000 0.994 1165 G CA -0.247 44.869 45.100 0.026 0.000 0.795 1165 G HN 0.461 nan 8.290 nan 0.000 0.518 1166 G N 0.452 109.168 108.800 -0.140 0.000 2.491 1166 G HA2 0.642 4.600 3.960 -0.003 0.000 0.242 1166 G HA3 0.642 4.600 3.960 -0.003 0.000 0.242 1166 G C -0.351 174.583 174.900 0.056 0.000 1.266 1166 G CA 0.575 45.543 45.100 -0.221 0.000 0.844 1166 G HN 1.446 nan 8.290 nan 0.000 0.571 1167 Y N -1.776 118.720 120.300 0.327 0.000 2.592 1167 Y HA 0.684 5.232 4.550 -0.003 0.000 0.334 1167 Y C 0.595 176.723 175.900 0.381 0.000 1.136 1167 Y CA -0.921 57.440 58.100 0.434 0.000 1.042 1167 Y CB 0.738 39.333 38.460 0.224 0.000 1.325 1167 Y HN 0.674 nan 8.280 nan 0.000 0.457 1168 A N 1.653 124.649 122.820 0.293 0.000 1.826 1168 A HA 0.322 4.641 4.320 -0.003 0.000 0.214 1168 A C -0.330 176.943 177.584 -0.518 0.000 1.212 1168 A CA 1.361 53.119 52.037 -0.465 0.000 0.605 1168 A CB -0.401 17.974 19.000 -1.042 0.000 0.861 1168 A HN 0.583 nan 8.150 nan 0.000 0.447 1169 F N -1.491 118.585 119.950 0.209 0.000 2.561 1169 F HA 0.506 5.031 4.527 -0.002 0.000 0.313 1169 F C -0.137 175.903 175.800 0.399 0.000 1.126 1169 F CA -1.147 57.027 58.000 0.290 0.000 0.918 1169 F CB 1.726 40.776 39.000 0.083 0.000 1.199 1169 F HN -0.000 nan 8.300 nan 0.000 0.444 1170 K N 2.038 122.706 120.400 0.447 0.000 2.451 1170 K HA 0.089 4.407 4.320 -0.003 0.000 0.280 1170 K C -1.595 175.172 176.600 0.278 0.000 1.020 1170 K CA 0.199 56.570 56.287 0.140 0.000 1.008 1170 K CB 0.114 32.623 32.500 0.016 0.000 0.917 1170 K HN 0.570 nan 8.250 nan 0.000 0.478 1171 Y N 4.702 124.992 120.300 -0.016 0.000 2.356 1171 Y HA 0.248 4.796 4.550 -0.003 0.000 0.334 1171 Y C 0.314 176.120 175.900 -0.156 0.000 0.958 1171 Y CA -0.328 57.635 58.100 -0.228 0.000 1.196 1171 Y CB 0.986 39.245 38.460 -0.333 0.000 1.137 1171 Y HN 0.799 nan 8.280 nan 0.000 0.485 1172 E N 2.892 122.806 120.200 -0.476 0.000 2.611 1172 E HA 0.119 4.468 4.350 -0.003 0.000 0.284 1172 E C -0.436 175.849 176.600 -0.524 0.000 0.800 1172 E CA 0.226 56.404 56.400 -0.370 0.000 1.264 1172 E CB 0.079 29.646 29.700 -0.222 0.000 1.735 1172 E HN 0.551 nan 8.360 nan 0.000 0.526 1173 N N 0.485 118.913 118.700 -0.454 0.000 3.112 1173 N HA 0.225 4.964 4.740 -0.003 0.000 0.270 1173 N C 0.183 175.445 175.510 -0.414 0.000 1.385 1173 N CA 0.461 53.291 53.050 -0.367 0.000 0.986 1173 N CB 1.135 39.504 38.487 -0.197 0.000 1.261 1173 N HN 0.498 nan 8.380 nan 0.000 0.495 1174 G N 1.475 109.862 108.800 -0.688 0.000 2.162 1174 G HA2 -0.309 3.649 3.960 -0.003 0.000 0.260 1174 G HA3 -0.309 3.649 3.960 -0.003 0.000 0.260 1174 G C 0.105 174.843 174.900 -0.271 0.000 0.976 1174 G CA 0.891 45.791 45.100 -0.333 0.000 0.655 1174 G HN 0.604 nan 8.290 nan 0.000 0.533 1175 K N -1.444 118.640 120.400 -0.526 0.000 2.480 1175 K HA 0.749 5.068 4.320 -0.003 0.000 0.258 1175 K C -1.208 175.222 176.600 -0.283 0.000 0.990 1175 K CA -1.371 54.763 56.287 -0.256 0.000 0.857 1175 K CB 1.491 33.895 32.500 -0.160 0.000 1.384 1175 K HN 0.015 nan 8.250 nan 0.000 0.446 1176 Y N 0.360 120.689 120.300 0.048 0.000 2.387 1176 Y HA 0.211 4.759 4.550 -0.003 0.000 0.336 1176 Y C -0.369 175.546 175.900 0.026 0.000 1.067 1176 Y CA -0.462 57.694 58.100 0.093 0.000 1.114 1176 Y CB 1.673 40.178 38.460 0.075 0.000 1.208 1176 Y HN 0.660 nan 8.280 nan 0.000 0.458 1177 D N 3.094 123.648 120.400 0.257 0.000 2.411 1177 D HA 0.127 4.765 4.640 -0.003 0.000 0.225 1177 D C 0.702 177.148 176.300 0.245 0.000 1.156 1177 D CA -0.037 54.073 54.000 0.183 0.000 0.874 1177 D CB 0.718 41.615 40.800 0.161 0.000 1.034 1177 D HN 0.471 nan 8.370 nan 0.000 0.502 1178 I N 3.360 124.007 120.570 0.128 0.000 2.502 1178 I HA -0.232 3.936 4.170 -0.003 0.000 0.258 1178 I C 2.117 178.391 176.117 0.262 0.000 1.172 1178 I CA 1.169 62.527 61.300 0.097 0.000 1.430 1178 I CB -0.026 37.971 38.000 -0.006 0.000 1.086 1178 I HN 0.258 nan 8.210 nan 0.000 0.440 1179 K N -0.619 119.914 120.400 0.223 0.000 2.354 1179 K HA 0.122 4.441 4.320 -0.003 0.000 0.194 1179 K C 0.409 177.147 176.600 0.230 0.000 1.038 1179 K CA 0.198 56.609 56.287 0.206 0.000 1.052 1179 K CB -0.051 32.530 32.500 0.134 0.000 0.861 1179 K HN 0.115 nan 8.250 nan 0.000 0.535 1180 D N 1.886 122.455 120.400 0.282 0.000 2.563 1180 D HA 0.084 4.722 4.640 -0.003 0.000 0.222 1180 D C -0.937 175.616 176.300 0.423 0.000 1.145 1180 D CA -0.169 54.017 54.000 0.309 0.000 1.001 1180 D CB 0.022 40.989 40.800 0.278 0.000 1.049 1180 D HN -0.283 nan 8.370 nan 0.000 0.515 1181 V N 1.699 121.769 119.914 0.260 0.000 2.472 1181 V HA 0.605 4.723 4.120 -0.003 0.000 0.290 1181 V C 1.245 177.251 176.094 -0.147 0.000 1.037 1181 V CA -0.804 61.543 62.300 0.078 0.000 0.908 1181 V CB 1.960 33.765 31.823 -0.031 0.000 0.985 1181 V HN 0.509 nan 8.190 nan 0.000 0.454 1182 G N 2.673 111.131 108.800 -0.570 0.000 4.637 1182 G HA2 0.373 4.331 3.960 -0.003 0.000 0.308 1182 G HA3 0.373 4.331 3.960 -0.003 0.000 0.308 1182 G C 0.393 175.107 174.900 -0.310 0.000 1.377 1182 G CA -0.006 44.531 45.100 -0.938 0.000 1.176 1182 G HN 0.535 nan 8.290 nan 0.000 0.601 1183 V N -0.418 119.444 119.914 -0.087 0.000 3.307 1183 V HA 0.046 4.165 4.120 -0.003 0.000 0.253 1183 V C 1.655 177.741 176.094 -0.012 0.000 1.149 1183 V CA 1.383 63.719 62.300 0.061 0.000 1.112 1183 V CB 0.859 32.711 31.823 0.050 0.000 0.777 1183 V HN 0.465 nan 8.190 nan 0.000 0.464 1184 D N 0.171 120.542 120.400 -0.048 0.000 2.431 1184 D HA 0.060 4.699 4.640 -0.003 0.000 0.213 1184 D C 0.684 176.959 176.300 -0.043 0.000 1.130 1184 D CA -0.136 53.843 54.000 -0.035 0.000 0.834 1184 D CB -0.009 40.780 40.800 -0.019 0.000 0.985 1184 D HN 0.612 nan 8.370 nan 0.000 0.504 1185 N N -0.301 118.354 118.700 -0.074 0.000 2.317 1185 N HA 0.208 4.946 4.740 -0.003 0.000 0.245 1185 N C 1.300 176.787 175.510 -0.038 0.000 1.294 1185 N CA 0.171 53.188 53.050 -0.056 0.000 0.924 1185 N CB 0.326 38.766 38.487 -0.079 0.000 1.186 1185 N HN -0.120 nan 8.380 nan 0.000 0.495 1186 A N -0.247 122.562 122.820 -0.019 0.000 1.908 1186 A HA -0.040 4.278 4.320 -0.003 0.000 0.218 1186 A C 2.081 179.660 177.584 -0.008 0.000 1.181 1186 A CA 1.960 53.992 52.037 -0.008 0.000 0.627 1186 A CB -1.739 17.260 19.000 -0.002 0.000 0.818 1186 A HN 0.817 nan 8.150 nan 0.000 0.445 1187 G N -0.614 108.174 108.800 -0.019 0.000 2.418 1187 G HA2 -0.003 3.955 3.960 -0.003 0.000 0.217 1187 G HA3 -0.003 3.955 3.960 -0.003 0.000 0.217 1187 G C 1.750 176.624 174.900 -0.043 0.000 1.158 1187 G CA 1.483 46.574 45.100 -0.015 0.000 0.771 1187 G HN 0.821 nan 8.290 nan 0.000 0.545 1188 A N 0.466 123.225 122.820 -0.101 0.000 1.898 1188 A HA 0.034 4.353 4.320 -0.003 0.000 0.216 1188 A C 2.229 179.756 177.584 -0.094 0.000 1.181 1188 A CA 2.057 53.998 52.037 -0.160 0.000 0.620 1188 A CB -0.387 18.522 19.000 -0.152 0.000 0.819 1188 A HN 0.375 nan 8.150 nan 0.000 0.442 1189 K N -0.453 119.920 120.400 -0.045 0.000 2.057 1189 K HA -0.096 4.222 4.320 -0.003 0.000 0.207 1189 K C 2.204 178.812 176.600 0.014 0.000 1.049 1189 K CA 1.182 57.459 56.287 -0.016 0.000 0.931 1189 K CB -0.280 32.218 32.500 -0.005 0.000 0.714 1189 K HN 0.420 nan 8.250 nan 0.000 0.440 1190 A N 0.463 123.318 122.820 0.059 0.000 1.898 1190 A HA -0.058 4.260 4.320 -0.003 0.000 0.216 1190 A C 2.326 180.020 177.584 0.182 0.000 1.181 1190 A CA 1.841 53.982 52.037 0.174 0.000 0.620 1190 A CB -1.155 17.978 19.000 0.222 0.000 0.819 1190 A HN 0.500 nan 8.150 nan 0.000 0.442 1191 G N -0.184 108.633 108.800 0.028 0.000 2.446 1191 G HA2 -0.175 3.783 3.960 -0.003 0.000 0.217 1191 G HA3 -0.175 3.783 3.960 -0.003 0.000 0.217 1191 G C 1.468 176.168 174.900 -0.334 0.000 1.168 1191 G CA 1.272 46.131 45.100 -0.401 0.000 0.771 1191 G HN 0.470 nan 8.290 nan 0.000 0.551 1192 L N 0.867 121.983 121.223 -0.178 0.000 2.141 1192 L HA 0.076 4.414 4.340 -0.003 0.000 0.209 1192 L C 2.812 179.637 176.870 -0.075 0.000 1.094 1192 L CA 2.209 56.977 54.840 -0.120 0.000 0.763 1192 L CB -0.877 41.140 42.059 -0.069 0.000 0.908 1192 L HN 0.162 nan 8.230 nan 0.000 0.437 1193 T N -0.933 113.603 114.554 -0.031 0.000 2.821 1193 T HA -0.189 4.159 4.350 -0.003 0.000 0.267 1193 T C 1.601 176.299 174.700 -0.003 0.000 1.046 1193 T CA 1.672 63.773 62.100 0.002 0.000 1.139 1193 T CB -0.419 68.480 68.868 0.050 0.000 0.871 1193 T HN 0.373 nan 8.240 nan 0.000 0.454 1194 F N 1.178 121.043 119.950 -0.142 0.000 2.186 1194 F HA 0.049 4.574 4.527 -0.003 0.000 0.299 1194 F C 1.872 177.565 175.800 -0.179 0.000 1.090 1194 F CA 0.553 58.457 58.000 -0.160 0.000 1.307 1194 F CB -0.245 38.521 39.000 -0.391 0.000 1.019 1194 F HN 0.033 nan 8.300 nan 0.000 0.489 1195 L N -0.258 120.897 121.223 -0.113 0.000 2.056 1195 L HA -0.128 4.210 4.340 -0.003 0.000 0.207 1195 L C 2.158 178.967 176.870 -0.103 0.000 1.078 1195 L CA 1.589 56.365 54.840 -0.107 0.000 0.749 1195 L CB -0.875 41.121 42.059 -0.104 0.000 0.901 1195 L HN 0.023 nan 8.230 nan 0.000 0.433 1196 V N -0.201 119.655 119.914 -0.097 0.000 2.427 1196 V HA -0.254 3.864 4.120 -0.003 0.000 0.248 1196 V C 2.214 178.245 176.094 -0.105 0.000 1.051 1196 V CA 1.844 64.096 62.300 -0.080 0.000 1.048 1196 V CB -0.801 30.987 31.823 -0.058 0.000 0.666 1196 V HN 0.456 nan 8.190 nan 0.000 0.456 1197 D N 0.064 120.371 120.400 -0.155 0.000 2.144 1197 D HA -0.105 4.533 4.640 -0.003 0.000 0.199 1197 D C 2.160 178.351 176.300 -0.181 0.000 0.984 1197 D CA 1.051 54.945 54.000 -0.178 0.000 0.834 1197 D CB -0.114 40.546 40.800 -0.233 0.000 0.955 1197 D HN 0.344 nan 8.370 nan 0.000 0.465 1198 L N 0.439 121.537 121.223 -0.209 0.000 2.083 1198 L HA -0.151 4.187 4.340 -0.003 0.000 0.209 1198 L C 2.487 179.335 176.870 -0.036 0.000 1.083 1198 L CA 0.756 55.566 54.840 -0.050 0.000 0.752 1198 L CB -0.241 41.833 42.059 0.025 0.000 0.899 1198 L HN 0.027 nan 8.230 nan 0.000 0.433 1199 I N -0.476 120.057 120.570 -0.062 0.000 2.233 1199 I HA -0.268 3.900 4.170 -0.003 0.000 0.243 1199 I C 2.502 178.564 176.117 -0.091 0.000 1.093 1199 I CA 1.254 62.516 61.300 -0.064 0.000 1.380 1199 I CB -0.268 37.697 38.000 -0.058 0.000 1.067 1199 I HN 0.163 nan 8.210 nan 0.000 0.413 1200 K N 0.913 121.256 120.400 -0.095 0.000 2.103 1200 K HA -0.166 4.152 4.320 -0.003 0.000 0.207 1200 K C 1.281 177.802 176.600 -0.131 0.000 1.048 1200 K CA 1.675 57.906 56.287 -0.094 0.000 0.930 1200 K CB -0.374 32.078 32.500 -0.080 0.000 0.716 1200 K HN 0.430 nan 8.250 nan 0.000 0.444 1201 N N 0.826 119.413 118.700 -0.188 0.000 2.434 1201 N HA -0.008 4.731 4.740 -0.003 0.000 0.196 1201 N C -0.721 174.483 175.510 -0.510 0.000 1.183 1201 N CA -0.087 52.773 53.050 -0.317 0.000 0.849 1201 N CB 0.368 38.664 38.487 -0.318 0.000 0.992 1201 N HN -0.022 nan 8.380 nan 0.000 0.460 1202 K N -0.499 119.722 120.400 -0.298 0.000 3.069 1202 K HA -0.243 4.075 4.320 -0.003 0.000 0.267 1202 K C -0.375 176.109 176.600 -0.193 0.000 1.082 1202 K CA 0.894 57.053 56.287 -0.213 0.000 0.782 1202 K CB -2.482 29.921 32.500 -0.161 0.000 1.230 1202 K HN 0.667 nan 8.250 nan 0.000 0.488 1203 H N -1.421 117.652 119.070 0.005 0.000 2.562 1203 H HA 0.316 4.871 4.556 -0.003 0.000 0.267 1203 H C 0.849 176.207 175.328 0.049 0.000 0.959 1203 H CA 0.381 56.450 56.048 0.035 0.000 1.204 1203 H CB 0.413 30.204 29.762 0.048 0.000 1.430 1203 H HN 0.116 nan 8.280 nan 0.000 0.545 1204 M N 0.046 119.709 119.600 0.104 0.000 2.578 1204 M HA 0.249 4.727 4.480 -0.003 0.000 0.276 1204 M C -1.424 174.872 176.300 -0.007 0.000 1.245 1204 M CA -0.904 54.428 55.300 0.054 0.000 0.871 1204 M CB 2.518 35.149 32.600 0.052 0.000 1.722 1204 M HN -0.025 nan 8.290 nan 0.000 0.473 1205 N N 0.173 118.856 118.700 -0.029 0.000 2.399 1205 N HA 0.537 5.275 4.740 -0.003 0.000 0.295 1205 N C 0.360 175.832 175.510 -0.063 0.000 1.048 1205 N CA -0.344 52.681 53.050 -0.040 0.000 0.886 1205 N CB 1.765 40.234 38.487 -0.030 0.000 1.185 1205 N HN 0.780 nan 8.380 nan 0.000 0.487 1206 A N 1.091 123.877 122.820 -0.056 0.000 2.125 1206 A HA -0.174 4.144 4.320 -0.003 0.000 0.219 1206 A C 1.276 178.824 177.584 -0.059 0.000 1.156 1206 A CA 1.445 53.446 52.037 -0.060 0.000 0.671 1206 A CB -0.362 18.612 19.000 -0.044 0.000 0.794 1206 A HN 0.816 nan 8.150 nan 0.000 0.459 1207 D N -1.316 119.054 120.400 -0.051 0.000 2.350 1207 D HA -0.014 4.624 4.640 -0.003 0.000 0.213 1207 D C 0.010 176.279 176.300 -0.053 0.000 1.031 1207 D CA 0.364 54.338 54.000 -0.043 0.000 0.861 1207 D CB -0.822 39.961 40.800 -0.029 0.000 0.926 1207 D HN 0.148 nan 8.370 nan 0.000 0.520 1208 T N 2.489 117.000 114.554 -0.073 0.000 2.871 1208 T HA 0.173 4.521 4.350 -0.003 0.000 0.296 1208 T C 0.008 174.647 174.700 -0.102 0.000 0.998 1208 T CA 0.269 62.319 62.100 -0.082 0.000 1.162 1208 T CB 0.803 69.609 68.868 -0.105 0.000 0.947 1208 T HN 0.401 nan 8.240 nan 0.000 0.536 1209 D N 1.474 121.830 120.400 -0.072 0.000 2.712 1209 D HA 0.190 4.828 4.640 -0.003 0.000 0.252 1209 D C 1.012 177.274 176.300 -0.064 0.000 1.123 1209 D CA -0.887 53.072 54.000 -0.069 0.000 1.109 1209 D CB -0.024 40.762 40.800 -0.024 0.000 1.313 1209 D HN 0.320 nan 8.370 nan 0.000 0.629 1210 Y N 0.554 120.762 120.300 -0.152 0.000 2.114 1210 Y HA -0.204 4.344 4.550 -0.003 0.000 0.284 1210 Y C 2.617 178.501 175.900 -0.027 0.000 1.143 1210 Y CA 3.197 61.222 58.100 -0.125 0.000 1.135 1210 Y CB -0.466 37.917 38.460 -0.129 0.000 0.980 1210 Y HN 0.436 nan 8.280 nan 0.000 0.499 1211 S N -0.055 115.774 115.700 0.216 0.000 2.368 1211 S HA -0.238 4.230 4.470 -0.003 0.000 0.225 1211 S C 2.059 176.692 174.600 0.056 0.000 1.030 1211 S CA 1.704 59.995 58.200 0.152 0.000 0.999 1211 S CB -1.159 62.111 63.200 0.116 0.000 0.844 1211 S HN 0.530 nan 8.310 nan 0.000 0.459 1212 I N 2.434 123.019 120.570 0.025 0.000 2.179 1212 I HA -0.171 3.997 4.170 -0.003 0.000 0.242 1212 I C 3.095 179.216 176.117 0.005 0.000 1.088 1212 I CA 1.295 62.601 61.300 0.010 0.000 1.357 1212 I CB -0.713 37.285 38.000 -0.004 0.000 1.051 1212 I HN 0.430 nan 8.210 nan 0.000 0.409 1213 A N 0.208 123.011 122.820 -0.028 0.000 1.898 1213 A HA -0.248 4.070 4.320 -0.003 0.000 0.216 1213 A C 2.311 179.900 177.584 0.008 0.000 1.181 1213 A CA 1.808 53.838 52.037 -0.011 0.000 0.620 1213 A CB -0.608 18.364 19.000 -0.047 0.000 0.819 1213 A HN 0.508 nan 8.150 nan 0.000 0.442 1214 E N 0.011 120.173 120.200 -0.063 0.000 2.051 1214 E HA -0.123 4.225 4.350 -0.003 0.000 0.192 1214 E C 2.134 178.779 176.600 0.075 0.000 0.991 1214 E CA 1.096 57.490 56.400 -0.010 0.000 0.799 1214 E CB -0.287 29.395 29.700 -0.031 0.000 0.748 1214 E HN 0.508 nan 8.360 nan 0.000 0.449 1215 A N 1.346 124.200 122.820 0.057 0.000 1.883 1215 A HA -0.154 4.164 4.320 -0.003 0.000 0.217 1215 A C 2.449 180.064 177.584 0.052 0.000 1.186 1215 A CA 2.101 54.169 52.037 0.053 0.000 0.624 1215 A CB -0.982 18.043 19.000 0.041 0.000 0.822 1215 A HN 0.442 nan 8.150 nan 0.000 0.444 1216 A N -1.535 121.323 122.820 0.063 0.000 1.902 1216 A HA -0.043 4.275 4.320 -0.003 0.000 0.217 1216 A C 2.078 179.709 177.584 0.078 0.000 1.181 1216 A CA 1.680 53.755 52.037 0.063 0.000 0.623 1216 A CB -0.671 18.373 19.000 0.075 0.000 0.818 1216 A HN 0.650 nan 8.150 nan 0.000 0.443 1217 F N 1.348 121.296 119.950 -0.003 0.000 2.128 1217 F HA -0.117 4.409 4.527 -0.003 0.000 0.295 1217 F C 1.827 177.615 175.800 -0.021 0.000 1.100 1217 F CA 1.859 59.856 58.000 -0.006 0.000 1.260 1217 F CB -0.197 38.795 39.000 -0.013 0.000 1.009 1217 F HN 0.206 nan 8.300 nan 0.000 0.476 1218 N N 0.454 119.188 118.700 0.057 0.000 2.453 1218 N HA -0.110 4.628 4.740 -0.003 0.000 0.183 1218 N C 1.375 176.829 175.510 -0.092 0.000 1.041 1218 N CA 0.942 53.971 53.050 -0.034 0.000 0.900 1218 N CB -0.310 38.206 38.487 0.049 0.000 0.961 1218 N HN 0.385 nan 8.380 nan 0.000 0.443 1219 K N -0.477 119.878 120.400 -0.076 0.000 2.393 1219 K HA 0.140 4.458 4.320 -0.003 0.000 0.193 1219 K C 0.526 177.062 176.600 -0.107 0.000 1.026 1219 K CA 0.331 56.577 56.287 -0.068 0.000 1.064 1219 K CB 0.454 32.936 32.500 -0.030 0.000 0.833 1219 K HN 0.185 nan 8.250 nan 0.000 0.521 1220 G N 2.150 110.837 108.800 -0.189 0.000 2.137 1220 G HA2 -0.266 3.692 3.960 -0.003 0.000 0.237 1220 G HA3 -0.266 3.692 3.960 -0.003 0.000 0.237 1220 G C 0.383 175.208 174.900 -0.124 0.000 1.002 1220 G CA 0.408 45.381 45.100 -0.212 0.000 0.702 1220 G HN 0.443 nan 8.290 nan 0.000 0.515 1221 E N -0.550 119.602 120.200 -0.079 0.000 2.190 1221 E HA 0.082 4.430 4.350 -0.003 0.000 0.191 1221 E C 0.768 177.373 176.600 0.008 0.000 0.978 1221 E CA 1.133 57.520 56.400 -0.023 0.000 0.839 1221 E CB 0.266 29.966 29.700 -0.000 0.000 0.787 1221 E HN 0.473 nan 8.360 nan 0.000 0.473 1222 T N -0.164 114.408 114.554 0.030 0.000 2.887 1222 T HA 0.438 4.786 4.350 -0.003 0.000 0.288 1222 T C 0.477 175.257 174.700 0.134 0.000 1.021 1222 T CA -0.380 61.784 62.100 0.106 0.000 1.000 1222 T CB 1.884 70.859 68.868 0.179 0.000 1.034 1222 T HN 0.029 nan 8.240 nan 0.000 0.467 1223 A N 2.379 125.294 122.820 0.159 0.000 2.123 1223 A HA 0.382 4.701 4.320 -0.003 0.000 0.214 1223 A C 0.666 178.491 177.584 0.401 0.000 1.152 1223 A CA 0.728 52.885 52.037 0.199 0.000 0.728 1223 A CB -0.271 18.807 19.000 0.131 0.000 0.814 1223 A HN 0.758 nan 8.150 nan 0.000 0.464 1224 M N -2.322 117.504 119.600 0.376 0.000 2.569 1224 M HA 0.496 4.974 4.480 -0.003 0.000 0.279 1224 M C -0.701 175.676 176.300 0.129 0.000 1.253 1224 M CA -0.306 55.150 55.300 0.260 0.000 0.867 1224 M CB 2.456 35.112 32.600 0.094 0.000 1.727 1224 M HN 0.022 nan 8.290 nan 0.000 0.467 1225 T N 0.775 115.238 114.554 -0.151 0.000 2.792 1225 T HA 0.755 5.103 4.350 -0.003 0.000 0.303 1225 T C -2.089 172.521 174.700 -0.151 0.000 1.310 1225 T CA -0.547 61.478 62.100 -0.125 0.000 1.007 1225 T CB 1.535 70.219 68.868 -0.306 0.000 1.335 1225 T HN 0.590 nan 8.240 nan 0.000 0.504 1226 I N 3.606 124.165 120.570 -0.018 0.000 2.418 1226 I HA 0.555 4.723 4.170 -0.003 0.000 0.287 1226 I C -0.199 176.007 176.117 0.148 0.000 1.008 1226 I CA -0.724 60.551 61.300 -0.041 0.000 1.104 1226 I CB 1.632 39.499 38.000 -0.220 0.000 1.264 1226 I HN 0.490 nan 8.210 nan 0.000 0.438 1227 N N 2.929 121.655 118.700 0.044 0.000 3.116 1227 N HA 0.530 5.268 4.740 -0.003 0.000 0.244 1227 N C -0.919 174.428 175.510 -0.271 0.000 1.485 1227 N CA -0.363 52.733 53.050 0.076 0.000 0.884 1227 N CB 2.491 41.006 38.487 0.046 0.000 1.415 1227 N HN 0.646 nan 8.380 nan 0.000 0.524 1228 G N -0.004 108.236 108.800 -0.934 0.000 2.601 1228 G HA2 0.473 4.432 3.960 -0.003 0.000 0.317 1228 G HA3 0.473 4.432 3.960 -0.003 0.000 0.317 1228 G C -1.943 171.946 174.900 -1.686 0.000 1.246 1228 G CA -1.110 42.985 45.100 -1.675 0.000 1.012 1228 G HN 0.315 nan 8.290 nan 0.000 0.494 1229 P HA -0.115 nan 4.420 nan 0.000 0.218 1229 P C 1.303 177.916 177.300 -1.145 0.000 1.146 1229 P CA 1.560 63.470 63.100 -1.984 0.000 0.813 1229 P CB 0.010 30.928 31.700 -1.303 0.000 0.778 1230 W N -0.519 120.533 121.300 -0.414 0.000 2.468 1230 W HA 0.110 4.769 4.660 -0.002 0.000 0.262 1230 W C 1.652 178.133 176.519 -0.064 0.000 1.241 1230 W CA 0.915 58.146 57.345 -0.191 0.000 1.232 1230 W CB -1.709 27.682 29.460 -0.114 0.000 1.124 1230 W HN -0.128 nan 8.180 nan 0.000 0.597 1231 A N -0.704 121.945 122.820 -0.284 0.000 2.267 1231 A HA 0.163 4.481 4.320 -0.003 0.000 0.213 1231 A C 1.409 179.059 177.584 0.111 0.000 1.192 1231 A CA 0.203 52.274 52.037 0.056 0.000 0.851 1231 A CB -1.036 18.009 19.000 0.076 0.000 0.881 1231 A HN 0.318 nan 8.150 nan 0.000 0.494 1232 W N 0.352 121.583 121.300 -0.115 0.000 2.342 1232 W HA -0.130 4.529 4.660 -0.002 0.000 0.297 1232 W C 2.673 179.156 176.519 -0.060 0.000 1.213 1232 W CA 0.792 58.074 57.345 -0.106 0.000 1.251 1232 W CB -1.398 28.069 29.460 0.012 0.000 1.136 1232 W HN 0.410 nan 8.180 nan 0.000 0.526 1233 S N 0.533 116.366 115.700 0.222 0.000 2.370 1233 S HA -0.200 4.269 4.470 -0.003 0.000 0.226 1233 S C 1.751 176.411 174.600 0.099 0.000 1.033 1233 S CA 1.823 60.112 58.200 0.149 0.000 1.011 1233 S CB -0.328 62.944 63.200 0.120 0.000 0.852 1233 S HN 0.162 nan 8.310 nan 0.000 0.457 1234 N N 1.293 120.049 118.700 0.094 0.000 2.244 1234 N HA 0.083 4.822 4.740 -0.003 0.000 0.183 1234 N C 1.641 177.166 175.510 0.026 0.000 1.016 1234 N CA 1.164 54.257 53.050 0.072 0.000 0.866 1234 N CB -0.431 38.119 38.487 0.104 0.000 0.980 1234 N HN 0.518 nan 8.380 nan 0.000 0.430 1235 I N 0.729 121.273 120.570 -0.043 0.000 2.439 1235 I HA -0.174 3.994 4.170 -0.003 0.000 0.251 1235 I C 1.325 177.381 176.117 -0.100 0.000 1.139 1235 I CA 0.854 62.052 61.300 -0.170 0.000 1.438 1235 I CB -0.204 37.440 38.000 -0.594 0.000 1.085 1235 I HN -0.030 nan 8.210 nan 0.000 0.427 1236 D N 0.905 121.303 120.400 -0.002 0.000 2.097 1236 D HA -0.147 4.491 4.640 -0.003 0.000 0.195 1236 D C 2.199 178.539 176.300 0.066 0.000 0.989 1236 D CA 1.719 55.785 54.000 0.109 0.000 0.827 1236 D CB -0.447 40.434 40.800 0.135 0.000 0.966 1236 D HN 0.257 nan 8.370 nan 0.000 0.456 1237 T N 0.653 115.237 114.554 0.049 0.000 2.788 1237 T HA -0.146 4.202 4.350 -0.003 0.000 0.268 1237 T C 2.109 176.824 174.700 0.025 0.000 1.044 1237 T CA 1.693 63.816 62.100 0.038 0.000 1.139 1237 T CB -0.269 68.622 68.868 0.039 0.000 0.867 1237 T HN 0.232 nan 8.240 nan 0.000 0.454 1238 S N 0.848 116.557 115.700 0.015 0.000 2.447 1238 S HA -0.093 4.375 4.470 -0.003 0.000 0.233 1238 S C 1.102 175.699 174.600 -0.004 0.000 1.006 1238 S CA 0.801 59.000 58.200 -0.001 0.000 0.957 1238 S CB -0.240 62.950 63.200 -0.016 0.000 0.773 1238 S HN 0.339 nan 8.310 nan 0.000 0.507 1239 K N -0.777 119.632 120.400 0.016 0.000 3.547 1239 K HA -0.106 4.212 4.320 -0.003 0.000 0.309 1239 K C -0.080 176.529 176.600 0.015 0.000 1.324 1239 K CA 0.808 57.107 56.287 0.021 0.000 0.988 1239 K CB -2.869 29.634 32.500 0.005 0.000 1.261 1239 K HN 0.474 nan 8.250 nan 0.000 0.444 1240 V N 2.393 122.307 119.914 -0.001 0.000 2.673 1240 V HA -0.051 4.067 4.120 -0.003 0.000 0.303 1240 V C 1.180 177.315 176.094 0.069 0.000 1.046 1240 V CA 0.041 62.320 62.300 -0.034 0.000 1.126 1240 V CB 0.793 32.524 31.823 -0.153 0.000 0.934 1240 V HN 0.264 nan 8.190 nan 0.000 0.487 1241 N N 4.824 123.526 118.700 0.004 0.000 2.739 1241 N HA 0.116 4.855 4.740 -0.003 0.000 0.266 1241 N C -0.618 174.872 175.510 -0.035 0.000 1.168 1241 N CA -0.357 52.681 53.050 -0.020 0.000 1.055 1241 N CB -0.277 38.174 38.487 -0.059 0.000 1.393 1241 N HN 0.579 nan 8.380 nan 0.000 0.514 1242 Y N 0.160 120.369 120.300 -0.152 0.000 2.374 1242 Y HA 0.853 5.401 4.550 -0.003 0.000 0.322 1242 Y C 0.504 176.171 175.900 -0.389 0.000 1.275 1242 Y CA -1.456 56.525 58.100 -0.198 0.000 1.307 1242 Y CB 0.642 39.113 38.460 0.018 0.000 1.282 1242 Y HN 0.184 nan 8.280 nan 0.000 0.509 1243 G N 0.280 108.670 108.800 -0.682 0.000 2.619 1243 G HA2 0.592 4.550 3.960 -0.003 0.000 0.296 1243 G HA3 0.592 4.550 3.960 -0.003 0.000 0.296 1243 G C -2.208 172.432 174.900 -0.433 0.000 1.334 1243 G CA -1.078 43.541 45.100 -0.802 0.000 0.934 1243 G HN 0.701 nan 8.290 nan 0.000 0.476 1244 V N 0.312 120.086 119.914 -0.232 0.000 2.531 1244 V HA 0.822 4.941 4.120 -0.003 0.000 0.301 1244 V C 0.157 176.272 176.094 0.034 0.000 1.034 1244 V CA -0.423 61.834 62.300 -0.072 0.000 0.865 1244 V CB 1.456 33.145 31.823 -0.223 0.000 0.995 1244 V HN 1.000 nan 8.190 nan 0.000 0.424 1245 T N 2.435 117.039 114.554 0.082 0.000 2.754 1245 T HA 0.490 4.838 4.350 -0.003 0.000 0.296 1245 T C -0.937 173.744 174.700 -0.032 0.000 1.205 1245 T CA -0.285 61.830 62.100 0.025 0.000 1.009 1245 T CB 1.927 70.808 68.868 0.023 0.000 1.368 1245 T HN 0.567 nan 8.240 nan 0.000 0.509 1246 V N 3.065 122.940 119.914 -0.064 0.000 2.788 1246 V HA 0.329 4.447 4.120 -0.003 0.000 0.307 1246 V C 0.236 176.258 176.094 -0.119 0.000 1.069 1246 V CA 0.115 62.366 62.300 -0.083 0.000 1.173 1246 V CB -0.156 31.615 31.823 -0.086 0.000 0.925 1246 V HN 0.706 nan 8.190 nan 0.000 0.492 1247 L N 7.832 128.985 121.223 -0.116 0.000 2.467 1247 L HA 0.303 4.641 4.340 -0.003 0.000 0.270 1247 L C -1.957 174.794 176.870 -0.199 0.000 1.205 1247 L CA -1.424 53.316 54.840 -0.166 0.000 0.828 1247 L CB 0.152 42.153 42.059 -0.097 0.000 1.101 1247 L HN 0.544 nan 8.230 nan 0.000 0.479 1248 P HA 0.074 nan 4.420 nan 0.000 0.272 1248 P C -0.616 176.627 177.300 -0.094 0.000 1.230 1248 P CA -0.383 62.497 63.100 -0.366 0.000 0.788 1248 P CB 0.510 31.737 31.700 -0.790 0.000 0.949 1249 T N -1.333 113.218 114.554 -0.005 0.000 2.874 1249 T HA 0.596 4.944 4.350 -0.003 0.000 0.281 1249 T C -0.845 174.028 174.700 0.289 0.000 0.994 1249 T CA -0.382 61.783 62.100 0.109 0.000 1.015 1249 T CB 0.368 69.244 68.868 0.014 0.000 1.028 1249 T HN 0.203 nan 8.240 nan 0.000 0.523 1250 F N 0.999 120.965 119.950 0.026 0.000 2.557 1250 F HA 0.483 5.009 4.527 -0.003 0.000 0.316 1250 F C 0.370 176.103 175.800 -0.112 0.000 1.141 1250 F CA -1.431 56.514 58.000 -0.092 0.000 0.922 1250 F CB 1.418 40.282 39.000 -0.228 0.000 1.194 1250 F HN 0.882 nan 8.300 nan 0.000 0.443 1251 K N 4.275 124.237 120.400 -0.730 0.000 3.016 1251 K HA -0.209 4.109 4.320 -0.003 0.000 0.262 1251 K C 0.912 177.349 176.600 -0.271 0.000 1.043 1251 K CA 0.937 56.876 56.287 -0.580 0.000 0.761 1251 K CB -1.641 30.416 32.500 -0.739 0.000 1.230 1251 K HN 1.479 nan 8.250 nan 0.000 0.485 1252 G N -0.422 108.275 108.800 -0.171 0.000 2.168 1252 G HA2 -0.317 3.641 3.960 -0.003 0.000 0.263 1252 G HA3 -0.317 3.641 3.960 -0.003 0.000 0.263 1252 G C -0.139 174.719 174.900 -0.070 0.000 0.977 1252 G CA 0.718 45.759 45.100 -0.099 0.000 0.659 1252 G HN 0.311 nan 8.290 nan 0.000 0.533 1253 Q N 0.323 120.086 119.800 -0.061 0.000 2.309 1253 Q HA 0.483 4.821 4.340 -0.003 0.000 0.264 1253 Q C -2.355 173.650 176.000 0.008 0.000 1.008 1253 Q CA -2.064 53.721 55.803 -0.031 0.000 0.853 1253 Q CB 2.435 31.152 28.738 -0.035 0.000 1.314 1253 Q HN 0.297 nan 8.270 nan 0.000 0.448 1254 P HA 0.057 nan 4.420 nan 0.000 0.272 1254 P C -0.408 176.902 177.300 0.016 0.000 1.223 1254 P CA -0.061 63.039 63.100 0.000 0.000 0.784 1254 P CB 0.746 32.428 31.700 -0.030 0.000 0.923 1255 S N 1.687 117.413 115.700 0.044 0.000 2.585 1255 S HA 0.129 4.597 4.470 -0.003 0.000 0.273 1255 S C 0.404 174.984 174.600 -0.034 0.000 1.339 1255 S CA -0.286 57.937 58.200 0.037 0.000 1.028 1255 S CB 0.045 63.327 63.200 0.136 0.000 0.906 1255 S HN 0.313 nan 8.310 nan 0.000 0.528 1256 K N 2.900 123.245 120.400 -0.092 0.000 2.562 1256 K HA 0.286 4.604 4.320 -0.003 0.000 0.206 1256 K C -2.725 173.814 176.600 -0.102 0.000 1.033 1256 K CA -1.668 54.565 56.287 -0.090 0.000 1.029 1256 K CB 1.143 33.590 32.500 -0.089 0.000 1.393 1256 K HN 0.405 nan 8.250 nan 0.000 0.539 1257 P HA 0.078 nan 4.420 nan 0.000 0.274 1257 P C -0.412 176.895 177.300 0.012 0.000 1.237 1257 P CA -0.351 62.708 63.100 -0.069 0.000 0.793 1257 P CB 0.568 32.224 31.700 -0.075 0.000 0.977 1258 F N 0.369 120.383 119.950 0.107 0.000 2.450 1258 F HA 0.135 4.661 4.527 -0.002 0.000 0.339 1258 F C 0.833 176.773 175.800 0.234 0.000 1.146 1258 F CA 0.269 58.396 58.000 0.212 0.000 1.267 1258 F CB 0.360 39.559 39.000 0.333 0.000 1.178 1258 F HN -0.012 nan 8.300 nan 0.000 0.585 1259 V N 1.499 121.722 119.914 0.516 0.000 2.495 1259 V HA 0.692 4.811 4.120 -0.003 0.000 0.298 1259 V C 0.153 176.509 176.094 0.438 0.000 1.031 1259 V CA -0.865 61.673 62.300 0.396 0.000 0.871 1259 V CB 1.530 33.550 31.823 0.328 0.000 0.988 1259 V HN 0.876 nan 8.190 nan 0.000 0.432 1260 G N 2.889 111.902 108.800 0.354 0.000 2.487 1260 G HA2 0.590 4.548 3.960 -0.003 0.000 0.314 1260 G HA3 0.590 4.548 3.960 -0.003 0.000 0.314 1260 G C -1.094 173.953 174.900 0.246 0.000 1.267 1260 G CA -0.419 44.865 45.100 0.307 0.000 0.937 1260 G HN 0.546 nan 8.290 nan 0.000 0.481 1261 V N 4.229 124.369 119.914 0.376 0.000 2.313 1261 V HA 0.215 4.334 4.120 -0.003 0.000 0.278 1261 V C 0.187 176.315 176.094 0.056 0.000 1.017 1261 V CA -0.856 61.514 62.300 0.115 0.000 0.823 1261 V CB 1.111 32.889 31.823 -0.074 0.000 1.010 1261 V HN 0.731 nan 8.190 nan 0.000 0.443 1262 L N 5.849 127.077 121.223 0.007 0.000 2.534 1262 L HA 0.309 4.647 4.340 -0.003 0.000 0.271 1262 L C 0.361 177.253 176.870 0.038 0.000 1.178 1262 L CA 1.357 56.191 54.840 -0.011 0.000 0.907 1262 L CB 0.351 42.430 42.059 0.034 0.000 1.164 1262 L HN 0.731 nan 8.230 nan 0.000 0.482 1263 S N 3.279 118.982 115.700 0.006 0.000 2.632 1263 S HA 0.904 5.373 4.470 -0.003 0.000 0.289 1263 S C -0.799 173.886 174.600 0.140 0.000 1.115 1263 S CA -0.356 57.897 58.200 0.087 0.000 0.889 1263 S CB 1.845 65.119 63.200 0.122 0.000 1.116 1263 S HN 0.904 nan 8.310 nan 0.000 0.486 1264 A N 1.058 123.906 122.820 0.046 0.000 2.285 1264 A HA 0.770 5.088 4.320 -0.003 0.000 0.310 1264 A C 0.174 177.770 177.584 0.020 0.000 1.266 1264 A CA -0.565 51.291 52.037 -0.301 0.000 0.832 1264 A CB 0.356 18.850 19.000 -0.844 0.000 1.163 1264 A HN 0.897 nan 8.150 nan 0.000 0.499 1265 G N 1.029 109.771 108.800 -0.096 0.000 2.441 1265 G HA2 0.602 4.560 3.960 -0.003 0.000 0.334 1265 G HA3 0.602 4.560 3.960 -0.003 0.000 0.334 1265 G C -0.619 174.175 174.900 -0.178 0.000 1.161 1265 G CA -0.654 44.294 45.100 -0.252 0.000 0.935 1265 G HN 0.669 nan 8.290 nan 0.000 0.488 1266 I N 1.451 121.966 120.570 -0.091 0.000 2.354 1266 I HA 0.147 4.316 4.170 -0.003 0.000 0.292 1266 I C 0.031 176.129 176.117 -0.031 0.000 0.989 1266 I CA -0.954 60.322 61.300 -0.039 0.000 1.188 1266 I CB 1.642 39.654 38.000 0.019 0.000 1.342 1266 I HN 0.341 nan 8.210 nan 0.000 0.457 1267 N N 4.339 123.038 118.700 -0.001 0.000 2.412 1267 N HA 0.008 4.746 4.740 -0.003 0.000 0.258 1267 N C 0.848 176.342 175.510 -0.025 0.000 1.236 1267 N CA 0.357 53.427 53.050 0.033 0.000 0.882 1267 N CB 1.512 39.991 38.487 -0.015 0.000 1.066 1267 N HN 0.800 nan 8.380 nan 0.000 0.465 1268 A N 3.784 126.582 122.820 -0.037 0.000 2.067 1268 A HA -0.028 4.290 4.320 -0.003 0.000 0.219 1268 A C 1.819 179.367 177.584 -0.061 0.000 1.158 1268 A CA 1.679 53.689 52.037 -0.044 0.000 0.661 1268 A CB -0.388 18.585 19.000 -0.046 0.000 0.801 1268 A HN 0.750 nan 8.150 nan 0.000 0.452 1269 A N -0.761 122.004 122.820 -0.091 0.000 2.218 1269 A HA 0.330 4.648 4.320 -0.003 0.000 0.209 1269 A C 1.366 178.901 177.584 -0.082 0.000 1.168 1269 A CA 0.675 52.655 52.037 -0.096 0.000 0.804 1269 A CB -0.466 18.453 19.000 -0.134 0.000 0.834 1269 A HN 0.431 nan 8.150 nan 0.000 0.482 1270 S N 1.241 116.897 115.700 -0.073 0.000 2.537 1270 S HA 0.247 4.715 4.470 -0.003 0.000 0.286 1270 S C -1.335 173.239 174.600 -0.044 0.000 1.299 1270 S CA -0.769 57.393 58.200 -0.063 0.000 1.067 1270 S CB 0.738 63.905 63.200 -0.055 0.000 0.864 1270 S HN 0.331 nan 8.310 nan 0.000 0.494 1271 P HA 0.193 nan 4.420 nan 0.000 0.262 1271 P C -0.456 176.834 177.300 -0.017 0.000 1.304 1271 P CA 0.020 63.104 63.100 -0.028 0.000 0.859 1271 P CB 0.068 31.750 31.700 -0.030 0.000 1.310 1272 N N 0.571 119.259 118.700 -0.018 0.000 2.480 1272 N HA 0.126 4.864 4.740 -0.003 0.000 0.281 1272 N C 0.923 176.435 175.510 0.004 0.000 1.381 1272 N CA -0.223 52.824 53.050 -0.005 0.000 0.903 1272 N CB 0.599 39.078 38.487 -0.013 0.000 1.274 1272 N HN 0.191 nan 8.380 nan 0.000 0.505 1273 K N 0.849 121.253 120.400 0.006 0.000 2.147 1273 K HA -0.127 4.191 4.320 -0.003 0.000 0.205 1273 K C 1.530 178.151 176.600 0.035 0.000 1.049 1273 K CA 1.068 57.365 56.287 0.018 0.000 0.936 1273 K CB 0.232 32.741 32.500 0.015 0.000 0.722 1273 K HN 0.281 nan 8.250 nan 0.000 0.446 1274 E N 1.381 121.605 120.200 0.039 0.000 2.216 1274 E HA -0.122 4.226 4.350 -0.003 0.000 0.192 1274 E C 2.052 178.701 176.600 0.081 0.000 0.988 1274 E CA 0.713 57.146 56.400 0.055 0.000 0.834 1274 E CB -0.472 29.259 29.700 0.051 0.000 0.772 1274 E HN 0.308 nan 8.360 nan 0.000 0.479 1275 L N 0.902 122.175 121.223 0.084 0.000 2.056 1275 L HA -0.069 4.270 4.340 -0.003 0.000 0.207 1275 L C 2.687 179.604 176.870 0.078 0.000 1.078 1275 L CA 1.164 56.087 54.840 0.138 0.000 0.749 1275 L CB -0.508 41.625 42.059 0.124 0.000 0.901 1275 L HN 0.148 nan 8.230 nan 0.000 0.433 1276 A N 0.146 122.982 122.820 0.027 0.000 1.902 1276 A HA -0.260 4.059 4.320 -0.003 0.000 0.217 1276 A C 2.373 179.965 177.584 0.013 0.000 1.181 1276 A CA 1.988 54.029 52.037 0.007 0.000 0.623 1276 A CB -0.420 18.583 19.000 0.005 0.000 0.818 1276 A HN 0.349 nan 8.150 nan 0.000 0.443 1277 K N -0.366 120.049 120.400 0.024 0.000 2.057 1277 K HA -0.220 4.098 4.320 -0.003 0.000 0.206 1277 K C 2.015 178.594 176.600 -0.035 0.000 1.050 1277 K CA 1.770 58.049 56.287 -0.014 0.000 0.935 1277 K CB -0.147 32.383 32.500 0.050 0.000 0.715 1277 K HN 0.358 nan 8.250 nan 0.000 0.439 1278 E N 0.399 120.643 120.200 0.073 0.000 2.051 1278 E HA -0.208 4.140 4.350 -0.003 0.000 0.192 1278 E C 1.718 178.440 176.600 0.204 0.000 0.991 1278 E CA 1.498 58.007 56.400 0.180 0.000 0.799 1278 E CB -0.467 29.413 29.700 0.299 0.000 0.748 1278 E HN 0.389 nan 8.360 nan 0.000 0.449 1279 F N 0.511 120.358 119.950 -0.172 0.000 2.102 1279 F HA -0.103 4.422 4.527 -0.003 0.000 0.298 1279 F C 1.869 177.582 175.800 -0.145 0.000 1.105 1279 F CA 1.553 59.276 58.000 -0.461 0.000 1.239 1279 F CB -0.307 38.159 39.000 -0.890 0.000 0.991 1279 F HN 0.054 nan 8.300 nan 0.000 0.474 1280 L N -0.031 121.052 121.223 -0.233 0.000 2.027 1280 L HA -0.177 4.161 4.340 -0.003 0.000 0.206 1280 L C 2.455 179.118 176.870 -0.345 0.000 1.074 1280 L CA 1.762 56.371 54.840 -0.385 0.000 0.745 1280 L CB -0.796 40.932 42.059 -0.551 0.000 0.898 1280 L HN 0.165 nan 8.230 nan 0.000 0.433 1281 E N -0.029 119.967 120.200 -0.340 0.000 2.072 1281 E HA -0.113 4.236 4.350 -0.003 0.000 0.190 1281 E C 1.215 177.881 176.600 0.111 0.000 0.982 1281 E CA 0.887 57.193 56.400 -0.157 0.000 0.803 1281 E CB 0.028 29.480 29.700 -0.413 0.000 0.755 1281 E HN 0.495 nan 8.360 nan 0.000 0.453 1282 N N -0.985 117.752 118.700 0.060 0.000 2.205 1282 N HA 0.057 4.795 4.740 -0.003 0.000 0.201 1282 N C 0.310 175.685 175.510 -0.226 0.000 1.128 1282 N CA 0.372 53.427 53.050 0.008 0.000 0.867 1282 N CB 0.596 39.118 38.487 0.058 0.000 0.996 1282 N HN 0.193 nan 8.380 nan 0.000 0.503 1283 Y N -0.415 119.782 120.300 -0.172 0.000 2.921 1283 Y HA 0.203 4.752 4.550 -0.003 0.000 0.246 1283 Y C 1.772 177.469 175.900 -0.338 0.000 1.030 1283 Y CA -0.316 57.642 58.100 -0.236 0.000 1.338 1283 Y CB -0.269 38.013 38.460 -0.297 0.000 1.493 1283 Y HN -0.141 nan 8.280 nan 0.000 0.452 1284 L N 0.364 121.342 121.223 -0.408 0.000 2.023 1284 L HA 0.058 4.396 4.340 -0.003 0.000 0.205 1284 L C 0.820 177.623 176.870 -0.111 0.000 1.073 1284 L CA 1.786 56.448 54.840 -0.296 0.000 0.745 1284 L CB -0.563 41.295 42.059 -0.335 0.000 0.900 1284 L HN 0.136 nan 8.230 nan 0.000 0.435 1285 L N 1.511 122.702 121.223 -0.053 0.000 2.511 1285 L HA 0.156 4.495 4.340 -0.003 0.000 0.239 1285 L C -0.153 176.716 176.870 -0.001 0.000 1.400 1285 L CA -0.032 54.830 54.840 0.036 0.000 1.226 1285 L CB -1.402 40.778 42.059 0.202 0.000 1.475 1285 L HN 0.461 nan 8.230 nan 0.000 0.428 1286 T N -6.203 108.310 114.554 -0.069 0.000 2.865 1286 T HA 0.281 4.630 4.350 -0.003 0.000 0.294 1286 T C 0.553 175.155 174.700 -0.164 0.000 1.119 1286 T CA -0.880 61.161 62.100 -0.097 0.000 1.007 1286 T CB 1.940 70.739 68.868 -0.114 0.000 1.225 1286 T HN -0.047 nan 8.240 nan 0.000 0.515 1287 D N 0.505 120.804 120.400 -0.168 0.000 2.117 1287 D HA -0.056 4.582 4.640 -0.003 0.000 0.197 1287 D C 1.737 177.806 176.300 -0.385 0.000 0.987 1287 D CA 1.400 55.223 54.000 -0.295 0.000 0.829 1287 D CB -0.030 40.692 40.800 -0.130 0.000 0.961 1287 D HN 0.676 nan 8.370 nan 0.000 0.460 1288 E N 0.300 120.370 120.200 -0.216 0.000 2.047 1288 E HA -0.037 4.311 4.350 -0.003 0.000 0.191 1288 E C 2.202 178.705 176.600 -0.163 0.000 0.987 1288 E CA 1.182 57.483 56.400 -0.164 0.000 0.799 1288 E CB -0.770 28.872 29.700 -0.096 0.000 0.752 1288 E HN 0.301 nan 8.360 nan 0.000 0.449 1289 G N 0.612 109.322 108.800 -0.150 0.000 2.433 1289 G HA2 -0.222 3.736 3.960 -0.003 0.000 0.216 1289 G HA3 -0.222 3.736 3.960 -0.003 0.000 0.216 1289 G C 1.382 176.206 174.900 -0.127 0.000 1.186 1289 G CA 0.541 45.575 45.100 -0.109 0.000 0.779 1289 G HN 0.110 nan 8.290 nan 0.000 0.543 1290 L N 0.804 121.905 121.223 -0.203 0.000 2.083 1290 L HA 0.017 4.355 4.340 -0.003 0.000 0.209 1290 L C 2.609 179.357 176.870 -0.204 0.000 1.083 1290 L CA 1.831 56.568 54.840 -0.171 0.000 0.752 1290 L CB -0.781 41.178 42.059 -0.166 0.000 0.899 1290 L HN 0.462 nan 8.230 nan 0.000 0.433 1291 E N -0.607 119.319 120.200 -0.456 0.000 2.110 1291 E HA -0.228 4.120 4.350 -0.003 0.000 0.193 1291 E C 2.182 178.756 176.600 -0.043 0.000 0.988 1291 E CA 1.070 57.342 56.400 -0.213 0.000 0.804 1291 E CB 0.045 29.597 29.700 -0.247 0.000 0.745 1291 E HN 0.448 nan 8.360 nan 0.000 0.458 1292 A N 0.566 123.348 122.820 -0.064 0.000 1.883 1292 A HA -0.162 4.156 4.320 -0.003 0.000 0.217 1292 A C 2.398 179.978 177.584 -0.006 0.000 1.186 1292 A CA 1.684 53.711 52.037 -0.017 0.000 0.624 1292 A CB -0.718 18.279 19.000 -0.005 0.000 0.822 1292 A HN 0.232 nan 8.150 nan 0.000 0.444 1293 V N 0.474 120.383 119.914 -0.009 0.000 2.358 1293 V HA -0.234 3.884 4.120 -0.003 0.000 0.246 1293 V C 2.378 178.476 176.094 0.007 0.000 1.047 1293 V CA 2.233 64.527 62.300 -0.011 0.000 1.035 1293 V CB -1.170 30.645 31.823 -0.013 0.000 0.658 1293 V HN 0.721 nan 8.190 nan 0.000 0.452 1294 N N 1.144 119.878 118.700 0.057 0.000 2.104 1294 N HA -0.231 4.507 4.740 -0.003 0.000 0.190 1294 N C 1.792 177.340 175.510 0.063 0.000 1.024 1294 N CA 1.782 54.890 53.050 0.097 0.000 0.853 1294 N CB -0.230 38.392 38.487 0.225 0.000 1.008 1294 N HN 0.675 nan 8.380 nan 0.000 0.424 1295 K N -1.020 119.410 120.400 0.051 0.000 2.365 1295 K HA -0.074 4.245 4.320 -0.003 0.000 0.199 1295 K C 1.192 177.791 176.600 -0.001 0.000 1.045 1295 K CA 1.218 57.525 56.287 0.032 0.000 0.962 1295 K CB 0.044 32.563 32.500 0.031 0.000 0.759 1295 K HN 0.159 nan 8.250 nan 0.000 0.469 1296 D N 1.133 121.517 120.400 -0.026 0.000 2.107 1296 D HA -0.019 4.620 4.640 -0.003 0.000 0.204 1296 D C -0.079 176.174 176.300 -0.077 0.000 0.978 1296 D CA 1.124 55.079 54.000 -0.075 0.000 0.852 1296 D CB 0.407 41.135 40.800 -0.121 0.000 1.008 1296 D HN -0.060 nan 8.370 nan 0.000 0.458 1297 K N 0.839 121.200 120.400 -0.064 0.000 2.565 1297 K HA 0.311 4.629 4.320 -0.003 0.000 0.249 1297 K C -2.592 174.002 176.600 -0.011 0.000 0.958 1297 K CA -1.942 54.316 56.287 -0.048 0.000 0.806 1297 K CB 2.329 34.780 32.500 -0.083 0.000 1.194 1297 K HN 0.106 nan 8.250 nan 0.000 0.434 1298 P HA -0.032 nan 4.420 nan 0.000 0.262 1298 P C 0.337 177.649 177.300 0.020 0.000 1.182 1298 P CA -0.262 62.861 63.100 0.037 0.000 0.761 1298 P CB 0.638 32.374 31.700 0.060 0.000 0.795 1299 L N 2.656 123.906 121.223 0.044 0.000 2.509 1299 L HA 0.190 4.528 4.340 -0.003 0.000 0.222 1299 L C 1.876 178.756 176.870 0.017 0.000 1.123 1299 L CA 1.659 56.522 54.840 0.038 0.000 0.856 1299 L CB -1.449 40.661 42.059 0.085 0.000 0.985 1299 L HN 0.830 nan 8.230 nan 0.000 0.456 1300 G N -0.502 108.308 108.800 0.016 0.000 2.509 1300 G HA2 -0.180 3.778 3.960 -0.003 0.000 0.259 1300 G HA3 -0.180 3.778 3.960 -0.003 0.000 0.259 1300 G C 0.161 175.078 174.900 0.029 0.000 1.169 1300 G CA -0.148 44.952 45.100 -0.000 0.000 0.953 1300 G HN 0.634 nan 8.290 nan 0.000 0.563 1301 A N -0.095 122.743 122.820 0.030 0.000 2.354 1301 A HA 0.761 5.080 4.320 -0.003 0.000 0.269 1301 A C 0.703 178.322 177.584 0.058 0.000 1.109 1301 A CA 0.635 52.694 52.037 0.037 0.000 0.800 1301 A CB 0.688 19.711 19.000 0.039 0.000 1.045 1301 A HN 2.313 nan 8.150 nan 0.000 0.489 1302 V N -0.692 119.272 119.914 0.083 0.000 2.881 1302 V HA 0.785 4.903 4.120 -0.003 0.000 0.316 1302 V C 0.919 177.119 176.094 0.176 0.000 1.070 1302 V CA -0.048 62.328 62.300 0.127 0.000 0.976 1302 V CB 1.187 33.122 31.823 0.187 0.000 1.038 1302 V HN 1.282 nan 8.190 nan 0.000 0.446 1303 A N 2.233 125.122 122.820 0.115 0.000 2.067 1303 A HA 0.233 4.551 4.320 -0.003 0.000 0.217 1303 A C 1.108 178.726 177.584 0.058 0.000 1.156 1303 A CA 0.630 52.722 52.037 0.092 0.000 0.683 1303 A CB -0.454 18.472 19.000 -0.123 0.000 0.808 1303 A HN 0.997 nan 8.150 nan 0.000 0.455 1304 L N 1.046 122.294 121.223 0.041 0.000 2.385 1304 L HA 0.171 4.510 4.340 -0.003 0.000 0.281 1304 L C 1.063 177.909 176.870 -0.040 0.000 1.106 1304 L CA 0.156 54.972 54.840 -0.041 0.000 0.856 1304 L CB 0.287 42.357 42.059 0.020 0.000 1.186 1304 L HN 0.281 nan 8.230 nan 0.000 0.453 1305 K N 1.744 121.970 120.400 -0.291 0.000 2.020 1305 K HA -0.227 4.091 4.320 -0.003 0.000 0.212 1305 K C 2.046 178.625 176.600 -0.034 0.000 1.050 1305 K CA 1.972 58.062 56.287 -0.328 0.000 0.929 1305 K CB -0.347 31.870 32.500 -0.472 0.000 0.714 1305 K HN 0.905 nan 8.250 nan 0.000 0.443 1306 S N 0.648 116.333 115.700 -0.025 0.000 2.365 1306 S HA -0.269 4.199 4.470 -0.003 0.000 0.225 1306 S C 2.113 176.795 174.600 0.137 0.000 1.039 1306 S CA 1.475 59.700 58.200 0.042 0.000 1.033 1306 S CB -0.749 62.464 63.200 0.022 0.000 0.887 1306 S HN 0.369 nan 8.310 nan 0.000 0.447 1307 Y N 2.495 122.797 120.300 0.003 0.000 2.286 1307 Y HA 0.124 4.672 4.550 -0.003 0.000 0.293 1307 Y C 2.507 178.443 175.900 0.059 0.000 1.124 1307 Y CA 1.348 59.464 58.100 0.026 0.000 1.178 1307 Y CB -0.765 37.707 38.460 0.020 0.000 1.010 1307 Y HN 0.374 nan 8.280 nan 0.000 0.536 1308 E N 0.787 121.030 120.200 0.072 0.000 2.160 1308 E HA -0.206 4.142 4.350 -0.003 0.000 0.195 1308 E C 1.798 178.411 176.600 0.021 0.000 0.991 1308 E CA 1.871 58.292 56.400 0.036 0.000 0.810 1308 E CB -0.262 29.601 29.700 0.271 0.000 0.742 1308 E HN 0.613 nan 8.360 nan 0.000 0.466 1309 E N -0.159 120.082 120.200 0.068 0.000 2.204 1309 E HA -0.179 4.170 4.350 -0.003 0.000 0.195 1309 E C 1.876 178.478 176.600 0.002 0.000 0.990 1309 E CA 1.171 57.602 56.400 0.052 0.000 0.821 1309 E CB -0.016 29.723 29.700 0.064 0.000 0.750 1309 E HN 0.454 nan 8.360 nan 0.000 0.477 1310 E N 0.360 120.541 120.200 -0.031 0.000 2.086 1310 E HA -0.043 4.306 4.350 -0.003 0.000 0.190 1310 E C 2.122 178.653 176.600 -0.115 0.000 0.975 1310 E CA 0.354 56.725 56.400 -0.048 0.000 0.813 1310 E CB 0.099 29.797 29.700 -0.002 0.000 0.768 1310 E HN 0.168 nan 8.360 nan 0.000 0.457 1311 L N 0.847 121.928 121.223 -0.236 0.000 2.131 1311 L HA -0.122 4.216 4.340 -0.003 0.000 0.210 1311 L C 2.459 179.267 176.870 -0.102 0.000 1.092 1311 L CA 0.787 55.494 54.840 -0.222 0.000 0.759 1311 L CB -0.435 41.423 42.059 -0.335 0.000 0.903 1311 L HN 0.145 nan 8.230 nan 0.000 0.435 1312 A N -0.111 122.667 122.820 -0.071 0.000 2.234 1312 A HA -0.186 4.132 4.320 -0.003 0.000 0.216 1312 A C 2.167 179.727 177.584 -0.041 0.000 1.167 1312 A CA 1.196 53.209 52.037 -0.039 0.000 0.698 1312 A CB -0.402 18.587 19.000 -0.019 0.000 0.779 1312 A HN 0.354 nan 8.150 nan 0.000 0.475 1313 K N -0.001 120.372 120.400 -0.046 0.000 2.362 1313 K HA -0.101 4.218 4.320 -0.003 0.000 0.200 1313 K C 0.162 176.730 176.600 -0.055 0.000 1.046 1313 K CA 0.712 56.973 56.287 -0.043 0.000 0.952 1313 K CB -0.004 32.474 32.500 -0.036 0.000 0.753 1313 K HN 0.437 nan 8.250 nan 0.000 0.466 1314 D N 1.139 121.503 120.400 -0.060 0.000 2.339 1314 D HA 0.039 4.677 4.640 -0.003 0.000 0.241 1314 D C -1.607 174.639 176.300 -0.091 0.000 1.183 1314 D CA -2.360 51.592 54.000 -0.080 0.000 0.859 1314 D CB 1.439 42.202 40.800 -0.061 0.000 1.067 1314 D HN -0.086 nan 8.370 nan 0.000 0.484 1315 P HA -0.188 nan 4.420 nan 0.000 0.217 1315 P C 1.074 178.296 177.300 -0.129 0.000 1.148 1315 P CA 0.992 64.025 63.100 -0.112 0.000 0.828 1315 P CB 0.442 32.068 31.700 -0.124 0.000 0.783 1316 R N -0.764 119.600 120.500 -0.226 0.000 2.081 1316 R HA -0.051 4.287 4.340 -0.003 0.000 0.235 1316 R C 2.508 178.817 176.300 0.016 0.000 1.131 1316 R CA 1.077 56.990 56.100 -0.311 0.000 0.960 1316 R CB -0.656 29.109 30.300 -0.892 0.000 0.856 1316 R HN 0.202 nan 8.270 nan 0.000 0.436 1317 I N 0.857 121.468 120.570 0.069 0.000 2.202 1317 I HA -0.147 4.021 4.170 -0.003 0.000 0.242 1317 I C 2.546 178.700 176.117 0.062 0.000 1.091 1317 I CA 1.219 62.609 61.300 0.150 0.000 1.368 1317 I CB -1.394 36.655 38.000 0.082 0.000 1.058 1317 I HN 0.139 nan 8.210 nan 0.000 0.410 1318 A N 1.086 123.909 122.820 0.005 0.000 1.940 1318 A HA -0.164 4.155 4.320 -0.003 0.000 0.219 1318 A C 2.571 180.145 177.584 -0.017 0.000 1.176 1318 A CA 2.149 54.175 52.037 -0.019 0.000 0.631 1318 A CB -0.748 18.232 19.000 -0.034 0.000 0.814 1318 A HN 0.426 nan 8.150 nan 0.000 0.446 1319 A N -1.134 121.684 122.820 -0.002 0.000 1.898 1319 A HA -0.064 4.255 4.320 -0.003 0.000 0.216 1319 A C 2.305 179.903 177.584 0.023 0.000 1.181 1319 A CA 2.234 54.272 52.037 0.001 0.000 0.620 1319 A CB -1.270 17.734 19.000 0.007 0.000 0.819 1319 A HN 0.430 nan 8.150 nan 0.000 0.442 1320 T N -0.325 114.278 114.554 0.081 0.000 2.684 1320 T HA -0.206 4.142 4.350 -0.003 0.000 0.267 1320 T C 1.928 176.641 174.700 0.022 0.000 1.036 1320 T CA 2.034 64.180 62.100 0.076 0.000 1.148 1320 T CB -0.282 68.657 68.868 0.118 0.000 0.863 1320 T HN 0.437 nan 8.240 nan 0.000 0.436 1321 M N 1.371 120.969 119.600 -0.002 0.000 2.175 1321 M HA 0.025 4.503 4.480 -0.003 0.000 0.264 1321 M C 2.101 178.332 176.300 -0.114 0.000 1.063 1321 M CA 1.505 56.771 55.300 -0.057 0.000 1.119 1321 M CB -0.432 32.104 32.600 -0.107 0.000 1.377 1321 M HN 0.280 nan 8.290 nan 0.000 0.415 1322 E N -0.452 119.692 120.200 -0.093 0.000 2.051 1322 E HA -0.232 4.116 4.350 -0.003 0.000 0.192 1322 E C 1.633 178.167 176.600 -0.111 0.000 0.991 1322 E CA 1.439 57.773 56.400 -0.110 0.000 0.799 1322 E CB -0.135 29.517 29.700 -0.080 0.000 0.748 1322 E HN 0.561 nan 8.360 nan 0.000 0.449 1323 N N 0.389 119.045 118.700 -0.074 0.000 2.188 1323 N HA -0.130 4.609 4.740 -0.003 0.000 0.184 1323 N C 1.691 177.158 175.510 -0.072 0.000 1.018 1323 N CA 1.186 54.197 53.050 -0.065 0.000 0.858 1323 N CB -0.258 38.206 38.487 -0.039 0.000 0.989 1323 N HN 0.253 nan 8.380 nan 0.000 0.426 1324 A N 1.471 124.253 122.820 -0.064 0.000 1.898 1324 A HA -0.136 4.182 4.320 -0.003 0.000 0.216 1324 A C 2.084 179.517 177.584 -0.251 0.000 1.181 1324 A CA 1.087 53.097 52.037 -0.046 0.000 0.620 1324 A CB -0.492 18.550 19.000 0.070 0.000 0.819 1324 A HN 0.299 nan 8.150 nan 0.000 0.442 1325 Q N -0.504 119.036 119.800 -0.433 0.000 2.291 1325 Q HA -0.114 4.224 4.340 -0.003 0.000 0.206 1325 Q C 1.391 177.172 176.000 -0.364 0.000 0.976 1325 Q CA 1.302 56.700 55.803 -0.675 0.000 0.875 1325 Q CB -0.118 28.287 28.738 -0.555 0.000 0.927 1325 Q HN 0.641 nan 8.270 nan 0.000 0.450 1326 K N -0.129 120.142 120.400 -0.215 0.000 2.393 1326 K HA 0.099 4.417 4.320 -0.003 0.000 0.193 1326 K C 0.916 177.464 176.600 -0.086 0.000 1.026 1326 K CA 0.101 56.311 56.287 -0.129 0.000 1.064 1326 K CB 0.664 33.105 32.500 -0.097 0.000 0.833 1326 K HN 0.076 nan 8.250 nan 0.000 0.521 1327 G N 1.159 109.911 108.800 -0.080 0.000 2.543 1327 G HA2 0.117 4.075 3.960 -0.003 0.000 0.267 1327 G HA3 0.117 4.075 3.960 -0.003 0.000 0.267 1327 G C -1.150 173.774 174.900 0.040 0.000 1.406 1327 G CA -0.347 44.745 45.100 -0.014 0.000 1.048 1327 G HN 0.126 nan 8.290 nan 0.000 0.548 1328 E N -0.660 119.608 120.200 0.112 0.000 2.191 1328 E HA 0.364 4.713 4.350 -0.003 0.000 0.263 1328 E C -0.405 176.398 176.600 0.339 0.000 0.881 1328 E CA -0.665 55.855 56.400 0.201 0.000 0.757 1328 E CB 1.251 31.074 29.700 0.206 0.000 1.147 1328 E HN 0.296 nan 8.360 nan 0.000 0.414 1329 I N 4.863 125.597 120.570 0.272 0.000 2.683 1329 I HA -0.039 4.129 4.170 -0.003 0.000 0.286 1329 I C 0.889 177.218 176.117 0.353 0.000 1.175 1329 I CA 0.469 61.924 61.300 0.259 0.000 1.429 1329 I CB 0.442 38.482 38.000 0.067 0.000 1.371 1329 I HN 0.568 nan 8.210 nan 0.000 0.569 1330 M N 8.502 128.353 119.600 0.419 0.000 2.269 1330 M HA 0.116 4.594 4.480 -0.003 0.000 0.350 1330 M C -2.181 174.208 176.300 0.148 0.000 1.429 1330 M CA -1.235 54.172 55.300 0.177 0.000 1.063 1330 M CB -0.232 32.429 32.600 0.101 0.000 1.841 1330 M HN 0.184 nan 8.290 nan 0.000 0.455 1331 P HA 0.026 nan 4.420 nan 0.000 0.268 1331 P C -0.314 176.873 177.300 -0.188 0.000 1.204 1331 P CA 0.005 62.868 63.100 -0.394 0.000 0.768 1331 P CB 0.386 31.649 31.700 -0.727 0.000 0.842 1332 N N 2.870 121.559 118.700 -0.019 0.000 2.268 1332 N HA 0.030 4.769 4.740 -0.003 0.000 0.204 1332 N C 0.401 175.975 175.510 0.107 0.000 1.124 1332 N CA -0.114 52.990 53.050 0.090 0.000 0.838 1332 N CB -0.718 37.928 38.487 0.264 0.000 0.994 1332 N HN 0.377 nan 8.380 nan 0.000 0.489 1333 I N -3.018 117.526 120.570 -0.044 0.000 2.764 1333 I HA 0.354 4.522 4.170 -0.003 0.000 0.294 1333 I C -1.261 174.819 176.117 -0.062 0.000 1.045 1333 I CA -1.948 59.344 61.300 -0.013 0.000 1.340 1333 I CB 0.738 38.601 38.000 -0.229 0.000 1.436 1333 I HN -0.277 nan 8.210 nan 0.000 0.567 1334 P HA -0.173 nan 4.420 nan 0.000 0.219 1334 P C 1.033 178.315 177.300 -0.031 0.000 1.146 1334 P CA 1.419 64.521 63.100 0.003 0.000 0.808 1334 P CB 0.144 31.867 31.700 0.037 0.000 0.779 1335 Q N -1.295 118.420 119.800 -0.143 0.000 2.437 1335 Q HA -0.022 4.316 4.340 -0.003 0.000 0.210 1335 Q C 2.085 178.105 176.000 0.034 0.000 0.972 1335 Q CA 0.838 56.571 55.803 -0.117 0.000 0.903 1335 Q CB -0.882 27.636 28.738 -0.368 0.000 0.967 1335 Q HN 0.146 nan 8.270 nan 0.000 0.486 1336 M N -0.534 119.034 119.600 -0.053 0.000 2.279 1336 M HA -0.105 4.373 4.480 -0.003 0.000 0.264 1336 M C 1.945 178.275 176.300 0.049 0.000 1.062 1336 M CA 1.168 56.447 55.300 -0.034 0.000 1.099 1336 M CB -0.473 31.996 32.600 -0.219 0.000 1.394 1336 M HN 0.157 nan 8.290 nan 0.000 0.426 1337 S N -0.433 115.384 115.700 0.194 0.000 2.382 1337 S HA -0.082 4.386 4.470 -0.003 0.000 0.228 1337 S C 2.005 176.841 174.600 0.394 0.000 1.027 1337 S CA 1.384 59.804 58.200 0.365 0.000 0.991 1337 S CB -0.389 62.963 63.200 0.252 0.000 0.823 1337 S HN 0.625 nan 8.310 nan 0.000 0.469 1338 A N 0.457 123.438 122.820 0.268 0.000 1.930 1338 A HA 0.036 4.354 4.320 -0.003 0.000 0.217 1338 A C 1.934 179.666 177.584 0.246 0.000 1.175 1338 A CA 1.441 53.622 52.037 0.241 0.000 0.627 1338 A CB -0.993 18.122 19.000 0.192 0.000 0.815 1338 A HN 0.676 nan 8.150 nan 0.000 0.443 1339 F N -0.607 119.375 119.950 0.053 0.000 2.069 1339 F HA -0.199 4.325 4.527 -0.004 0.000 0.298 1339 F C 2.044 177.799 175.800 -0.076 0.000 1.113 1339 F CA 1.749 59.670 58.000 -0.132 0.000 1.214 1339 F CB -0.620 38.143 39.000 -0.396 0.000 0.978 1339 F HN 0.414 nan 8.300 nan 0.000 0.474 1340 W N -0.764 120.700 121.300 0.273 0.000 2.315 1340 W HA -0.299 4.358 4.660 -0.004 0.000 0.323 1340 W C 2.479 178.930 176.519 -0.112 0.000 1.233 1340 W CA 1.507 58.883 57.345 0.052 0.000 1.267 1340 W CB -1.100 28.355 29.460 -0.009 0.000 1.160 1340 W HN 0.066 nan 8.180 nan 0.000 0.474 1341 Y N -0.235 120.209 120.300 0.241 0.000 2.242 1341 Y HA -0.170 4.379 4.550 -0.002 0.000 0.291 1341 Y C 2.459 178.382 175.900 0.039 0.000 1.137 1341 Y CA 1.482 59.655 58.100 0.121 0.000 1.181 1341 Y CB -1.274 37.247 38.460 0.102 0.000 0.989 1341 Y HN -0.049 nan 8.280 nan 0.000 0.527 1342 A N -0.437 122.463 122.820 0.134 0.000 1.877 1342 A HA -0.141 4.177 4.320 -0.003 0.000 0.216 1342 A C 2.340 179.883 177.584 -0.067 0.000 1.186 1342 A CA 2.004 54.051 52.037 0.018 0.000 0.620 1342 A CB -1.155 17.829 19.000 -0.027 0.000 0.822 1342 A HN 0.242 nan 8.150 nan 0.000 0.443 1343 V N -0.075 119.712 119.914 -0.211 0.000 2.453 1343 V HA -0.198 3.920 4.120 -0.003 0.000 0.247 1343 V C 2.589 178.672 176.094 -0.018 0.000 1.048 1343 V CA 2.048 64.226 62.300 -0.203 0.000 1.049 1343 V CB -0.832 30.686 31.823 -0.508 0.000 0.672 1343 V HN 0.666 nan 8.190 nan 0.000 0.457 1344 R N 0.080 120.593 120.500 0.021 0.000 2.091 1344 R HA -0.179 4.159 4.340 -0.003 0.000 0.238 1344 R C 2.329 178.658 176.300 0.049 0.000 1.136 1344 R CA 2.205 58.339 56.100 0.056 0.000 0.959 1344 R CB -0.455 29.854 30.300 0.015 0.000 0.856 1344 R HN 0.504 nan 8.270 nan 0.000 0.437 1345 T N 0.537 115.120 114.554 0.049 0.000 2.737 1345 T HA -0.070 4.278 4.350 -0.003 0.000 0.265 1345 T C 1.807 176.525 174.700 0.030 0.000 1.038 1345 T CA 1.255 63.382 62.100 0.046 0.000 1.144 1345 T CB -0.319 68.583 68.868 0.056 0.000 0.866 1345 T HN 0.471 nan 8.240 nan 0.000 0.434 1346 A N 1.179 124.010 122.820 0.019 0.000 1.892 1346 A HA -0.111 4.207 4.320 -0.003 0.000 0.218 1346 A C 2.581 180.178 177.584 0.021 0.000 1.188 1346 A CA 1.793 53.838 52.037 0.014 0.000 0.631 1346 A CB -1.148 17.854 19.000 0.003 0.000 0.822 1346 A HN 0.363 nan 8.150 nan 0.000 0.447 1347 V N -0.361 119.575 119.914 0.038 0.000 2.343 1347 V HA -0.249 3.869 4.120 -0.003 0.000 0.247 1347 V C 2.387 178.494 176.094 0.023 0.000 1.051 1347 V CA 2.008 64.333 62.300 0.041 0.000 1.036 1347 V CB -0.777 31.094 31.823 0.081 0.000 0.654 1347 V HN 0.492 nan 8.190 nan 0.000 0.451 1348 I N 0.784 121.369 120.570 0.025 0.000 2.226 1348 I HA -0.172 3.997 4.170 -0.003 0.000 0.245 1348 I C 2.218 178.338 176.117 0.006 0.000 1.100 1348 I CA 1.451 62.759 61.300 0.012 0.000 1.374 1348 I CB -0.795 37.215 38.000 0.017 0.000 1.057 1348 I HN 0.288 nan 8.210 nan 0.000 0.413 1349 N N 0.582 119.288 118.700 0.010 0.000 2.166 1349 N HA -0.105 4.634 4.740 -0.003 0.000 0.186 1349 N C 1.885 177.394 175.510 -0.001 0.000 1.019 1349 N CA 1.550 54.603 53.050 0.006 0.000 0.856 1349 N CB -0.473 38.019 38.487 0.009 0.000 0.993 1349 N HN 0.404 nan 8.380 nan 0.000 0.426 1350 A N 0.474 123.294 122.820 -0.001 0.000 1.897 1350 A HA 0.158 4.476 4.320 -0.003 0.000 0.215 1350 A C 2.212 179.787 177.584 -0.016 0.000 1.181 1350 A CA 1.617 53.649 52.037 -0.008 0.000 0.620 1350 A CB -0.709 18.286 19.000 -0.008 0.000 0.821 1350 A HN 0.289 nan 8.150 nan 0.000 0.443 1351 A N 0.030 122.841 122.820 -0.016 0.000 2.066 1351 A HA 0.047 4.366 4.320 -0.003 0.000 0.218 1351 A C 2.257 179.826 177.584 -0.025 0.000 1.157 1351 A CA 1.866 53.888 52.037 -0.026 0.000 0.670 1351 A CB -0.525 18.458 19.000 -0.028 0.000 0.804 1351 A HN 0.916 nan 8.150 nan 0.000 0.453 1352 S N -2.841 112.849 115.700 -0.017 0.000 2.524 1352 S HA 0.407 4.875 4.470 -0.003 0.000 0.215 1352 S C 1.425 176.016 174.600 -0.015 0.000 0.986 1352 S CA 1.055 59.246 58.200 -0.016 0.000 0.911 1352 S CB 0.087 63.281 63.200 -0.010 0.000 0.805 1352 S HN 1.784 nan 8.310 nan 0.000 0.501 1353 G N 2.065 110.857 108.800 -0.014 0.000 2.176 1353 G HA2 -0.305 3.653 3.960 -0.003 0.000 0.253 1353 G HA3 -0.305 3.653 3.960 -0.003 0.000 0.253 1353 G C 0.986 175.881 174.900 -0.008 0.000 0.979 1353 G CA 0.321 45.414 45.100 -0.013 0.000 0.641 1353 G HN 0.484 nan 8.290 nan 0.000 0.530 1354 R N -0.209 120.288 120.500 -0.005 0.000 2.159 1354 R HA 0.013 4.351 4.340 -0.003 0.000 0.237 1354 R C 1.126 177.426 176.300 -0.000 0.000 1.131 1354 R CA 1.426 57.525 56.100 -0.001 0.000 0.982 1354 R CB -0.003 30.298 30.300 0.002 0.000 0.868 1354 R HN 0.582 nan 8.270 nan 0.000 0.453 1355 Q N -0.735 119.065 119.800 -0.001 0.000 2.416 1355 Q HA 0.177 4.515 4.340 -0.003 0.000 0.281 1355 Q C -0.776 175.223 176.000 -0.003 0.000 1.067 1355 Q CA -0.558 55.245 55.803 -0.000 0.000 0.809 1355 Q CB 2.585 31.325 28.738 0.002 0.000 1.418 1355 Q HN 0.075 nan 8.270 nan 0.000 0.411 1356 T N -2.566 111.987 114.554 -0.002 0.000 2.788 1356 T HA 0.193 4.541 4.350 -0.003 0.000 0.287 1356 T C 1.258 175.955 174.700 -0.004 0.000 1.007 1356 T CA -0.616 61.482 62.100 -0.004 0.000 1.005 1356 T CB 0.571 69.438 68.868 -0.002 0.000 1.012 1356 T HN 0.310 nan 8.240 nan 0.000 0.530 1357 V N 1.205 121.116 119.914 -0.006 0.000 2.343 1357 V HA -0.126 3.992 4.120 -0.003 0.000 0.247 1357 V C 2.490 178.581 176.094 -0.004 0.000 1.051 1357 V CA 2.038 64.334 62.300 -0.006 0.000 1.036 1357 V CB -0.852 30.966 31.823 -0.008 0.000 0.654 1357 V HN 0.855 nan 8.190 nan 0.000 0.451 1358 D N -0.323 120.076 120.400 -0.001 0.000 2.117 1358 D HA -0.135 4.503 4.640 -0.003 0.000 0.197 1358 D C 2.291 178.591 176.300 0.000 0.000 0.987 1358 D CA 1.043 55.043 54.000 -0.000 0.000 0.829 1358 D CB -0.161 40.640 40.800 0.002 0.000 0.961 1358 D HN 0.403 nan 8.370 nan 0.000 0.460 1359 E N 0.609 120.810 120.200 0.001 0.000 2.072 1359 E HA -0.030 4.318 4.350 -0.003 0.000 0.190 1359 E C 2.131 178.733 176.600 0.002 0.000 0.982 1359 E CA 0.687 57.089 56.400 0.003 0.000 0.803 1359 E CB -0.293 29.409 29.700 0.003 0.000 0.755 1359 E HN 0.188 nan 8.360 nan 0.000 0.453 1360 A N 1.504 124.325 122.820 0.001 0.000 1.883 1360 A HA -0.171 4.147 4.320 -0.003 0.000 0.217 1360 A C 2.383 179.967 177.584 -0.001 0.000 1.186 1360 A CA 1.352 53.390 52.037 0.002 0.000 0.624 1360 A CB -0.803 18.198 19.000 0.002 0.000 0.822 1360 A HN 0.187 nan 8.150 nan 0.000 0.444 1361 L N -0.869 120.353 121.223 -0.002 0.000 2.109 1361 L HA -0.139 4.199 4.340 -0.003 0.000 0.207 1361 L C 2.622 179.489 176.870 -0.006 0.000 1.086 1361 L CA 1.676 56.513 54.840 -0.005 0.000 0.760 1361 L CB -0.428 41.627 42.059 -0.007 0.000 0.910 1361 L HN 0.503 nan 8.230 nan 0.000 0.437 1362 K N 0.355 120.754 120.400 -0.002 0.000 2.057 1362 K HA -0.210 4.108 4.320 -0.003 0.000 0.207 1362 K C 1.583 178.186 176.600 0.005 0.000 1.049 1362 K CA 1.829 58.117 56.287 0.002 0.000 0.931 1362 K CB 0.029 32.532 32.500 0.005 0.000 0.714 1362 K HN 0.200 nan 8.250 nan 0.000 0.440 1363 D N 0.440 120.843 120.400 0.005 0.000 2.117 1363 D HA -0.114 4.524 4.640 -0.003 0.000 0.198 1363 D C 1.802 178.106 176.300 0.007 0.000 0.982 1363 D CA 1.335 55.340 54.000 0.009 0.000 0.828 1363 D CB -0.226 40.580 40.800 0.009 0.000 0.967 1363 D HN 0.373 nan 8.370 nan 0.000 0.464 1364 A N 0.737 123.554 122.820 -0.005 0.000 1.877 1364 A HA -0.247 4.072 4.320 -0.003 0.000 0.216 1364 A C 2.174 179.748 177.584 -0.017 0.000 1.186 1364 A CA 1.996 54.020 52.037 -0.022 0.000 0.620 1364 A CB -0.747 18.220 19.000 -0.056 0.000 0.822 1364 A HN 0.171 nan 8.150 nan 0.000 0.443 1365 Q N 0.305 120.098 119.800 -0.011 0.000 2.077 1365 Q HA -0.189 4.149 4.340 -0.003 0.000 0.206 1365 Q C 2.108 178.123 176.000 0.026 0.000 0.989 1365 Q CA 3.327 59.131 55.803 0.002 0.000 0.853 1365 Q CB -0.889 27.850 28.738 0.001 0.000 0.907 1365 Q HN 0.749 nan 8.270 nan 0.000 0.418 1366 T N -1.810 112.760 114.554 0.025 0.000 2.708 1366 T HA -0.134 4.214 4.350 -0.003 0.000 0.266 1366 T C 1.847 176.574 174.700 0.045 0.000 1.037 1366 T CA 1.221 63.342 62.100 0.035 0.000 1.146 1366 T CB -0.390 68.494 68.868 0.028 0.000 0.865 1366 T HN 0.309 nan 8.240 nan 0.000 0.435 1367 R N 0.689 121.212 120.500 0.039 0.000 2.105 1367 R HA 0.050 4.389 4.340 -0.003 0.000 0.239 1367 R C 2.547 178.891 176.300 0.073 0.000 1.135 1367 R CA 1.723 57.852 56.100 0.048 0.000 0.967 1367 R CB -0.605 29.720 30.300 0.041 0.000 0.861 1367 R HN 0.500 nan 8.270 nan 0.000 0.442 1368 I N 0.405 121.024 120.570 0.081 0.000 2.500 1368 I HA -0.120 4.048 4.170 -0.003 0.000 0.252 1368 I C 0.952 177.179 176.117 0.184 0.000 1.142 1368 I CA 0.781 62.167 61.300 0.143 0.000 1.451 1368 I CB -0.343 37.730 38.000 0.121 0.000 1.093 1368 I HN 0.121 nan 8.210 nan 0.000 0.430 1369 T N 0.956 115.592 114.554 0.137 0.000 3.474 1369 T HA 0.351 4.699 4.350 -0.003 0.000 0.270 1369 T C -0.174 174.592 174.700 0.110 0.000 1.079 1369 T CA -0.330 61.856 62.100 0.143 0.000 1.110 1369 T CB -0.262 68.673 68.868 0.111 0.000 1.087 1369 T HN 0.212 nan 8.240 nan 0.000 0.784 1370 K N 0.000 120.469 120.400 0.114 0.000 2.780 1370 K HA 0.000 4.318 4.320 -0.003 0.000 0.191 1370 K CA 0.000 56.335 56.287 0.079 0.000 0.838 1370 K CB 0.000 32.541 32.500 0.068 0.000 1.064 1370 K HN 0.000 nan 8.250 nan 0.000 0.543