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 2pga_1_A DATA FIRST_RESID 1004 DATA SEQUENCE SDVFHLGLTK NDLQGAQLAI VPGDPERVEK IAALMDKPVK LASHREFTSW DATA SEQUENCE RAELDGKAVI VCSTGIGGPS TSIAVEELAQ LGIRTFLRIG TTGAIQPHIN DATA SEQUENCE VGDVLVTTAS VRLDGASLHF APMEFPAVAD FACTTALVEA AKSIGATTHV DATA SEQUENCE GVTASSDTFY PGQERYDTYS GRVVRRFKGS MEEWQAMGVM NYEMESATLL DATA SEQUENCE TMCASQGLRA GMVAGVIVNR TQQEIPNAET MKQTESHAVK IVVEAARRLL 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 1004 S HA 0.000 nan 4.470 nan 0.000 0.327 1004 S C 0.000 174.587 174.600 -0.021 0.000 1.055 1004 S CA 0.000 58.176 58.200 -0.039 0.000 1.107 1004 S CB 0.000 63.145 63.200 -0.092 0.000 0.593 1005 D N 1.487 121.883 120.400 -0.007 0.000 2.347 1005 D HA 0.141 4.781 4.640 0.000 0.000 0.213 1005 D C 0.918 177.230 176.300 0.021 0.000 0.985 1005 D CA 1.301 55.306 54.000 0.008 0.000 0.879 1005 D CB 0.367 41.174 40.800 0.012 0.000 0.919 1005 D HN 0.559 nan 8.370 nan 0.000 0.526 1006 V N -2.867 117.055 119.914 0.013 0.000 3.040 1006 V HA 0.376 4.496 4.120 0.000 0.000 0.312 1006 V C 0.722 176.837 176.094 0.036 0.000 1.115 1006 V CA -1.050 61.277 62.300 0.044 0.000 0.998 1006 V CB 1.687 33.532 31.823 0.037 0.000 1.042 1006 V HN -0.168 nan 8.190 nan 0.000 0.433 1007 F N 0.982 120.891 119.950 -0.069 0.000 2.259 1007 F HA 0.071 4.598 4.527 0.000 0.000 0.298 1007 F C 1.807 177.408 175.800 -0.332 0.000 1.088 1007 F CA 2.395 60.274 58.000 -0.202 0.000 1.358 1007 F CB -0.019 38.830 39.000 -0.252 0.000 1.040 1007 F HN 0.837 nan 8.300 nan 0.000 0.505 1008 H N -1.642 117.343 119.070 -0.142 0.000 2.594 1008 H HA 0.259 4.816 4.556 0.000 0.000 0.274 1008 H C 1.988 177.209 175.328 -0.178 0.000 0.982 1008 H CA 0.810 56.736 56.048 -0.203 0.000 1.228 1008 H CB -0.110 29.566 29.762 -0.143 0.000 1.447 1008 H HN 0.103 nan 8.280 nan 0.000 0.485 1009 L N -0.220 120.970 121.223 -0.056 0.000 2.313 1009 L HA 0.145 4.485 4.340 0.000 0.000 0.214 1009 L C 1.099 178.026 176.870 0.096 0.000 1.119 1009 L CA 0.701 55.549 54.840 0.013 0.000 0.809 1009 L CB -0.258 41.782 42.059 -0.032 0.000 0.933 1009 L HN 0.533 nan 8.230 nan 0.000 0.449 1010 G N 1.326 110.077 108.800 -0.081 0.000 2.246 1010 G HA2 -0.268 3.692 3.960 0.000 0.000 0.273 1010 G HA3 -0.268 3.692 3.960 0.000 0.000 0.273 1010 G C -0.155 174.769 174.900 0.040 0.000 1.055 1010 G CA 0.088 45.135 45.100 -0.088 0.000 0.851 1010 G HN 0.245 nan 8.290 nan 0.000 0.500 1011 L N -0.100 121.132 121.223 0.016 0.000 2.341 1011 L HA 0.845 5.186 4.340 0.000 0.000 0.267 1011 L C 0.777 177.651 176.870 0.008 0.000 1.009 1011 L CA -0.533 54.321 54.840 0.023 0.000 0.819 1011 L CB 2.381 44.460 42.059 0.033 0.000 1.323 1011 L HN 0.379 nan 8.230 nan 0.000 0.425 1012 T N -3.077 111.481 114.554 0.006 0.000 2.940 1012 T HA 0.382 4.732 4.350 0.000 0.000 0.288 1012 T C 0.631 175.334 174.700 0.005 0.000 1.045 1012 T CA -0.887 61.216 62.100 0.004 0.000 1.018 1012 T CB 1.974 70.842 68.868 -0.000 0.000 1.151 1012 T HN 0.524 nan 8.240 nan 0.000 0.529 1013 K N 0.345 120.748 120.400 0.005 0.000 2.097 1013 K HA -0.142 4.178 4.320 0.000 0.000 0.206 1013 K C 2.098 178.699 176.600 0.001 0.000 1.049 1013 K CA 1.545 57.835 56.287 0.004 0.000 0.933 1013 K CB -0.356 32.148 32.500 0.005 0.000 0.717 1013 K HN 0.620 nan 8.250 nan 0.000 0.442 1014 N N 1.542 120.242 118.700 -0.001 0.000 2.149 1014 N HA -0.178 4.562 4.740 0.000 0.000 0.188 1014 N C 1.228 176.735 175.510 -0.005 0.000 1.019 1014 N CA 1.513 54.560 53.050 -0.004 0.000 0.857 1014 N CB -0.059 38.425 38.487 -0.005 0.000 0.997 1014 N HN 0.081 nan 8.380 nan 0.000 0.426 1015 D N -0.357 120.040 120.400 -0.005 0.000 2.182 1015 D HA -0.127 4.513 4.640 0.000 0.000 0.201 1015 D C 1.567 177.865 176.300 -0.003 0.000 0.986 1015 D CA 0.725 54.721 54.000 -0.007 0.000 0.847 1015 D CB -0.124 40.674 40.800 -0.003 0.000 0.942 1015 D HN 0.282 nan 8.370 nan 0.000 0.467 1016 L N 0.402 121.625 121.223 -0.000 0.000 2.313 1016 L HA -0.000 4.340 4.340 0.000 0.000 0.214 1016 L C 0.770 177.638 176.870 -0.004 0.000 1.119 1016 L CA 0.560 55.399 54.840 -0.001 0.000 0.809 1016 L CB -0.257 41.799 42.059 -0.005 0.000 0.933 1016 L HN -0.057 nan 8.230 nan 0.000 0.449 1017 Q N -0.045 119.752 119.800 -0.004 0.000 2.457 1017 Q HA -0.267 4.073 4.340 0.000 0.000 0.283 1017 Q C 1.230 177.226 176.000 -0.006 0.000 1.234 1017 Q CA 0.967 56.768 55.803 -0.005 0.000 0.877 1017 Q CB -2.221 26.516 28.738 -0.003 0.000 1.250 1017 Q HN 0.670 nan 8.270 nan 0.000 0.481 1018 G N -2.038 106.757 108.800 -0.009 0.000 2.157 1018 G HA2 -0.254 3.706 3.960 0.000 0.000 0.248 1018 G HA3 -0.254 3.706 3.960 0.000 0.000 0.248 1018 G C 0.360 175.249 174.900 -0.019 0.000 0.979 1018 G CA 0.399 45.491 45.100 -0.012 0.000 0.650 1018 G HN 1.244 nan 8.290 nan 0.000 0.529 1019 A N -0.432 122.375 122.820 -0.022 0.000 2.531 1019 A HA 0.552 4.872 4.320 0.000 0.000 0.236 1019 A C 1.035 178.586 177.584 -0.056 0.000 1.062 1019 A CA 1.498 53.514 52.037 -0.035 0.000 0.760 1019 A CB 0.222 19.203 19.000 -0.031 0.000 0.995 1019 A HN 0.601 nan 8.150 nan 0.000 0.501 1020 Q N 0.552 120.307 119.800 -0.075 0.000 2.140 1020 Q HA 0.323 4.663 4.340 0.000 0.000 0.227 1020 Q C -0.522 175.375 176.000 -0.172 0.000 0.798 1020 Q CA -0.048 55.693 55.803 -0.104 0.000 0.987 1020 Q CB 0.743 29.440 28.738 -0.069 0.000 1.161 1020 Q HN 0.731 nan 8.270 nan 0.000 0.480 1021 L N 0.678 121.805 121.223 -0.161 0.000 2.365 1021 L HA 0.827 5.167 4.340 0.000 0.000 0.273 1021 L C -1.636 175.112 176.870 -0.203 0.000 1.000 1021 L CA -0.653 54.065 54.840 -0.204 0.000 0.819 1021 L CB 1.626 43.613 42.059 -0.120 0.000 1.284 1021 L HN -0.081 nan 8.230 nan 0.000 0.418 1022 A N 5.801 128.450 122.820 -0.285 0.000 2.356 1022 A HA 0.703 5.023 4.320 0.000 0.000 0.310 1022 A C -0.961 176.598 177.584 -0.042 0.000 1.075 1022 A CA -0.552 51.395 52.037 -0.151 0.000 0.746 1022 A CB 1.032 19.935 19.000 -0.162 0.000 1.221 1022 A HN 0.673 nan 8.150 nan 0.000 0.443 1023 I N 2.604 123.180 120.570 0.010 0.000 2.331 1023 I HA 0.379 4.549 4.170 0.000 0.000 0.292 1023 I C -0.211 175.952 176.117 0.077 0.000 0.998 1023 I CA -0.636 60.687 61.300 0.039 0.000 1.267 1023 I CB 1.763 39.771 38.000 0.014 0.000 1.386 1023 I HN 0.461 nan 8.210 nan 0.000 0.476 1024 V N 5.434 125.408 119.914 0.099 0.000 2.276 1024 V HA 0.483 4.604 4.120 0.000 0.000 0.268 1024 V C -2.535 173.605 176.094 0.077 0.000 1.032 1024 V CA -1.887 60.483 62.300 0.116 0.000 0.810 1024 V CB 0.340 32.266 31.823 0.173 0.000 1.060 1024 V HN 0.459 nan 8.190 nan 0.000 0.446 1025 P HA 0.312 nan 4.420 nan 0.000 0.276 1025 P C 1.022 178.346 177.300 0.040 0.000 1.261 1025 P CA 0.352 63.473 63.100 0.035 0.000 0.800 1025 P CB 1.634 33.343 31.700 0.015 0.000 1.066 1026 G N -0.514 108.300 108.800 0.022 0.000 2.411 1026 G HA2 -0.069 3.891 3.960 0.000 0.000 0.213 1026 G HA3 -0.069 3.891 3.960 0.000 0.000 0.213 1026 G C 0.244 175.143 174.900 -0.002 0.000 1.166 1026 G CA 0.437 45.545 45.100 0.014 0.000 0.802 1026 G HN 0.530 nan 8.290 nan 0.000 0.533 1027 D N 0.448 120.843 120.400 -0.008 0.000 2.280 1027 D HA 0.251 4.891 4.640 0.000 0.000 0.243 1027 D C -1.140 175.154 176.300 -0.010 0.000 1.129 1027 D CA -2.552 51.435 54.000 -0.021 0.000 0.848 1027 D CB 2.121 42.905 40.800 -0.026 0.000 1.107 1027 D HN -0.020 nan 8.370 nan 0.000 0.471 1028 P HA -0.144 nan 4.420 nan 0.000 0.219 1028 P C 0.557 177.865 177.300 0.013 0.000 1.146 1028 P CA 1.033 64.142 63.100 0.016 0.000 0.808 1028 P CB 0.419 32.120 31.700 0.001 0.000 0.779 1029 E N -0.591 119.604 120.200 -0.009 0.000 2.347 1029 E HA -0.068 4.282 4.350 0.000 0.000 0.196 1029 E C 2.231 178.804 176.600 -0.046 0.000 1.008 1029 E CA 0.247 56.635 56.400 -0.019 0.000 0.852 1029 E CB -0.276 29.411 29.700 -0.022 0.000 0.783 1029 E HN 0.163 nan 8.360 nan 0.000 0.505 1030 R N 0.489 120.962 120.500 -0.046 0.000 2.240 1030 R HA -0.016 4.324 4.340 0.000 0.000 0.203 1030 R C 1.802 178.036 176.300 -0.109 0.000 1.011 1030 R CA 0.232 56.292 56.100 -0.067 0.000 1.007 1030 R CB 0.240 30.515 30.300 -0.042 0.000 0.911 1030 R HN 0.049 nan 8.270 nan 0.000 0.468 1031 V N 0.922 120.775 119.914 -0.102 0.000 2.295 1031 V HA -0.257 3.863 4.120 0.000 0.000 0.246 1031 V C 2.212 178.044 176.094 -0.437 0.000 1.049 1031 V CA 2.156 64.368 62.300 -0.147 0.000 1.024 1031 V CB -0.480 31.346 31.823 0.003 0.000 0.648 1031 V HN 0.433 nan 8.190 nan 0.000 0.447 1032 E N 0.122 119.955 120.200 -0.612 0.000 2.085 1032 E HA -0.256 4.094 4.350 0.000 0.000 0.194 1032 E C 2.267 178.493 176.600 -0.623 0.000 0.994 1032 E CA 1.272 57.048 56.400 -1.040 0.000 0.801 1032 E CB 0.021 29.330 29.700 -0.653 0.000 0.743 1032 E HN 0.476 nan 8.360 nan 0.000 0.453 1033 K N 0.240 120.433 120.400 -0.345 0.000 2.057 1033 K HA -0.150 4.170 4.320 0.000 0.000 0.207 1033 K C 2.246 178.729 176.600 -0.196 0.000 1.049 1033 K CA 1.135 57.290 56.287 -0.220 0.000 0.931 1033 K CB -0.390 32.028 32.500 -0.137 0.000 0.714 1033 K HN 0.311 nan 8.250 nan 0.000 0.440 1034 I N 1.305 121.762 120.570 -0.188 0.000 2.252 1034 I HA -0.216 3.954 4.170 0.000 0.000 0.245 1034 I C 2.492 178.520 176.117 -0.149 0.000 1.102 1034 I CA 1.049 62.269 61.300 -0.134 0.000 1.385 1034 I CB -0.365 37.580 38.000 -0.093 0.000 1.064 1034 I HN 0.060 nan 8.210 nan 0.000 0.414 1035 A N 0.630 123.308 122.820 -0.237 0.000 1.972 1035 A HA -0.122 4.198 4.320 0.000 0.000 0.219 1035 A C 2.449 179.938 177.584 -0.159 0.000 1.169 1035 A CA 1.623 53.546 52.037 -0.190 0.000 0.635 1035 A CB -0.753 18.069 19.000 -0.296 0.000 0.810 1035 A HN 0.423 nan 8.150 nan 0.000 0.446 1036 A N -1.078 121.611 122.820 -0.219 0.000 2.172 1036 A HA 0.130 4.450 4.320 0.000 0.000 0.216 1036 A C 1.651 179.187 177.584 -0.080 0.000 1.154 1036 A CA 1.103 53.056 52.037 -0.140 0.000 0.701 1036 A CB -0.357 18.550 19.000 -0.155 0.000 0.789 1036 A HN 0.373 nan 8.150 nan 0.000 0.465 1037 L N -1.122 120.055 121.223 -0.078 0.000 2.599 1037 L HA 0.225 4.565 4.340 0.000 0.000 0.230 1037 L C 1.002 177.850 176.870 -0.036 0.000 1.141 1037 L CA 0.878 55.686 54.840 -0.053 0.000 0.877 1037 L CB -0.480 41.546 42.059 -0.055 0.000 1.009 1037 L HN 0.397 nan 8.230 nan 0.000 0.447 1038 M N -2.109 117.474 119.600 -0.029 0.000 2.821 1038 M HA 0.323 4.804 4.480 0.000 0.000 0.294 1038 M C -0.711 175.593 176.300 0.006 0.000 1.195 1038 M CA -0.895 54.399 55.300 -0.010 0.000 0.784 1038 M CB 1.249 33.847 32.600 -0.002 0.000 1.755 1038 M HN -0.237 nan 8.290 nan 0.000 0.477 1039 D N 1.523 121.932 120.400 0.014 0.000 2.225 1039 D HA 0.194 4.834 4.640 0.000 0.000 0.249 1039 D C -0.411 175.914 176.300 0.042 0.000 1.052 1039 D CA -0.057 53.957 54.000 0.023 0.000 0.909 1039 D CB 0.919 41.728 40.800 0.014 0.000 1.186 1039 D HN 0.385 nan 8.370 nan 0.000 0.431 1040 K N -0.561 119.869 120.400 0.049 0.000 3.156 1040 K HA -0.124 4.196 4.320 0.000 0.000 0.266 1040 K C -2.350 174.314 176.600 0.107 0.000 0.966 1040 K CA 0.222 56.548 56.287 0.064 0.000 0.719 1040 K CB -2.191 30.335 32.500 0.042 0.000 1.333 1040 K HN 0.449 nan 8.250 nan 0.000 0.468 1041 P HA 0.215 nan 4.420 nan 0.000 0.271 1041 P C -0.137 177.386 177.300 0.373 0.000 1.216 1041 P CA -0.230 63.056 63.100 0.310 0.000 0.776 1041 P CB 1.428 33.320 31.700 0.320 0.000 0.881 1042 V N 2.970 123.035 119.914 0.252 0.000 2.841 1042 V HA 0.353 4.474 4.120 0.000 0.000 0.310 1042 V C -0.301 175.365 176.094 -0.714 0.000 1.090 1042 V CA -1.195 60.998 62.300 -0.179 0.000 0.930 1042 V CB 2.172 33.920 31.823 -0.125 0.000 1.014 1042 V HN 0.542 nan 8.190 nan 0.000 0.425 1043 K N 4.827 124.325 120.400 -1.504 0.000 2.322 1043 K HA 0.396 4.716 4.320 0.000 0.000 0.283 1043 K C 0.191 176.380 176.600 -0.685 0.000 1.042 1043 K CA -0.166 55.101 56.287 -1.700 0.000 0.958 1043 K CB 1.080 32.683 32.500 -1.495 0.000 0.984 1043 K HN 0.761 nan 8.250 nan 0.000 0.473 1044 L N 2.579 123.536 121.223 -0.443 0.000 2.262 1044 L HA 0.351 4.691 4.340 0.000 0.000 0.197 1044 L C 0.505 177.292 176.870 -0.138 0.000 1.073 1044 L CA 0.158 54.880 54.840 -0.198 0.000 0.800 1044 L CB 0.197 42.208 42.059 -0.080 0.000 0.987 1044 L HN 0.763 nan 8.230 nan 0.000 0.470 1045 A N -1.059 121.696 122.820 -0.110 0.000 2.608 1045 A HA 0.621 4.941 4.320 0.000 0.000 0.292 1045 A C -1.210 176.315 177.584 -0.098 0.000 1.066 1045 A CA -0.296 51.693 52.037 -0.081 0.000 0.676 1045 A CB 1.720 20.771 19.000 0.085 0.000 1.277 1045 A HN -0.131 nan 8.150 nan 0.000 0.413 1046 S N 0.776 116.298 115.700 -0.297 0.000 2.776 1046 S HA 0.651 5.121 4.470 0.000 0.000 0.284 1046 S C -1.668 172.656 174.600 -0.461 0.000 1.160 1046 S CA -0.473 57.599 58.200 -0.213 0.000 1.051 1046 S CB 0.297 63.422 63.200 -0.125 0.000 1.037 1046 S HN 0.699 nan 8.310 nan 0.000 0.485 1047 H N 3.689 122.827 119.070 0.113 0.000 2.782 1047 H HA 0.521 5.077 4.556 0.000 0.000 0.347 1047 H C 0.543 175.949 175.328 0.130 0.000 1.038 1047 H CA -0.474 55.640 56.048 0.111 0.000 1.255 1047 H CB 1.525 31.360 29.762 0.122 0.000 1.623 1047 H HN 0.770 nan 8.280 nan 0.000 0.525 1048 R N 0.497 121.084 120.500 0.145 0.000 3.815 1048 R HA -0.225 4.115 4.340 0.000 0.000 0.470 1048 R C 1.125 177.341 176.300 -0.139 0.000 0.241 1048 R CA 1.799 57.903 56.100 0.007 0.000 1.481 1048 R CB -0.726 29.595 30.300 0.034 0.000 0.988 1048 R HN 0.763 nan 8.270 nan 0.000 0.570 1049 E N 2.078 122.019 120.200 -0.431 0.000 2.494 1049 E HA -0.013 4.337 4.350 0.000 0.000 0.193 1049 E C -0.112 176.220 176.600 -0.448 0.000 1.074 1049 E CA 0.744 56.869 56.400 -0.458 0.000 0.867 1049 E CB 0.004 29.399 29.700 -0.509 0.000 0.924 1049 E HN 0.362 nan 8.360 nan 0.000 0.502 1050 F N 1.632 121.627 119.950 0.075 0.000 2.303 1050 F HA 0.297 4.824 4.527 0.000 0.000 0.368 1050 F C 0.206 176.060 175.800 0.090 0.000 1.105 1050 F CA -0.686 57.368 58.000 0.090 0.000 1.153 1050 F CB 1.390 40.459 39.000 0.116 0.000 1.362 1050 F HN -0.313 nan 8.300 nan 0.000 0.511 1051 T N 2.072 116.758 114.554 0.220 0.000 2.794 1051 T HA 0.501 4.851 4.350 0.000 0.000 0.280 1051 T C -0.278 174.571 174.700 0.249 0.000 0.987 1051 T CA -0.737 61.480 62.100 0.195 0.000 0.993 1051 T CB 1.170 70.140 68.868 0.170 0.000 0.939 1051 T HN 0.536 nan 8.240 nan 0.000 0.449 1052 S N 2.171 118.012 115.700 0.236 0.000 2.536 1052 S HA 0.786 5.256 4.470 0.000 0.000 0.287 1052 S C -1.645 173.107 174.600 0.254 0.000 1.101 1052 S CA -1.016 57.329 58.200 0.242 0.000 0.950 1052 S CB 1.285 64.579 63.200 0.158 0.000 1.056 1052 S HN 0.661 nan 8.310 nan 0.000 0.481 1053 W N 1.021 122.338 121.300 0.028 0.000 2.962 1053 W HA 0.673 5.334 4.660 0.000 0.000 0.341 1053 W C 0.119 176.644 176.519 0.010 0.000 1.155 1053 W CA -0.792 56.562 57.345 0.015 0.000 1.165 1053 W CB 1.903 31.369 29.460 0.010 0.000 1.435 1053 W HN 0.785 nan 8.180 nan 0.000 0.546 1054 R N 1.548 122.176 120.500 0.213 0.000 2.664 1054 R HA 0.897 5.237 4.340 0.000 0.000 0.286 1054 R C -0.733 175.668 176.300 0.169 0.000 0.967 1054 R CA -0.375 55.808 56.100 0.138 0.000 0.933 1054 R CB 1.512 31.847 30.300 0.058 0.000 1.146 1054 R HN 0.633 nan 8.270 nan 0.000 0.468 1055 A N 2.701 125.590 122.820 0.114 0.000 2.524 1055 A HA 0.521 4.841 4.320 0.000 0.000 0.289 1055 A C -1.554 176.060 177.584 0.049 0.000 1.248 1055 A CA -0.799 51.295 52.037 0.095 0.000 0.712 1055 A CB 1.642 20.696 19.000 0.091 0.000 1.312 1055 A HN 0.740 nan 8.150 nan 0.000 0.441 1056 E N -0.563 119.659 120.200 0.036 0.000 2.199 1056 E HA 0.560 4.910 4.350 0.000 0.000 0.269 1056 E C -1.851 174.754 176.600 0.009 0.000 0.899 1056 E CA -0.634 55.777 56.400 0.019 0.000 0.772 1056 E CB 2.476 32.186 29.700 0.017 0.000 1.155 1056 E HN 0.357 nan 8.360 nan 0.000 0.408 1057 L N 3.353 124.576 121.223 0.001 0.000 2.372 1057 L HA 0.314 4.654 4.340 0.000 0.000 0.274 1057 L C -0.950 175.915 176.870 -0.008 0.000 0.988 1057 L CA -0.201 54.635 54.840 -0.006 0.000 0.833 1057 L CB 1.132 43.184 42.059 -0.012 0.000 1.236 1057 L HN 0.482 nan 8.230 nan 0.000 0.410 1058 D N 4.463 124.858 120.400 -0.008 0.000 2.737 1058 D HA -0.213 4.427 4.640 0.000 0.000 0.233 1058 D C 1.114 177.410 176.300 -0.006 0.000 1.155 1058 D CA 1.603 55.598 54.000 -0.008 0.000 0.667 1058 D CB -1.015 39.779 40.800 -0.011 0.000 1.060 1058 D HN 1.211 nan 8.370 nan 0.000 0.427 1059 G N -0.855 107.943 108.800 -0.003 0.000 2.141 1059 G HA2 -0.340 3.620 3.960 0.000 0.000 0.242 1059 G HA3 -0.340 3.620 3.960 0.000 0.000 0.242 1059 G C 0.183 175.082 174.900 -0.003 0.000 0.982 1059 G CA 0.581 45.680 45.100 -0.002 0.000 0.662 1059 G HN 0.486 nan 8.290 nan 0.000 0.527 1060 K N 0.135 120.533 120.400 -0.004 0.000 2.316 1060 K HA 0.730 5.050 4.320 0.000 0.000 0.251 1060 K C 0.357 176.954 176.600 -0.005 0.000 0.934 1060 K CA -0.246 56.037 56.287 -0.007 0.000 0.802 1060 K CB 2.125 34.618 32.500 -0.012 0.000 1.171 1060 K HN 0.509 nan 8.250 nan 0.000 0.426 1061 A N 2.059 124.876 122.820 -0.005 0.000 2.477 1061 A HA 0.385 4.705 4.320 0.000 0.000 0.246 1061 A C -0.316 177.263 177.584 -0.008 0.000 1.078 1061 A CA -0.117 51.920 52.037 -0.001 0.000 0.770 1061 A CB 0.243 19.242 19.000 -0.001 0.000 1.011 1061 A HN 0.399 nan 8.150 nan 0.000 0.494 1062 V N 3.927 123.842 119.914 0.002 0.000 2.841 1062 V HA 0.359 4.479 4.120 0.000 0.000 0.310 1062 V C -0.500 175.604 176.094 0.016 0.000 1.090 1062 V CA -0.683 61.612 62.300 -0.007 0.000 0.930 1062 V CB 1.920 33.738 31.823 -0.009 0.000 1.014 1062 V HN 0.766 nan 8.190 nan 0.000 0.425 1063 I N 3.572 124.144 120.570 0.004 0.000 2.437 1063 I HA 0.516 4.687 4.170 0.000 0.000 0.298 1063 I C -0.282 175.868 176.117 0.055 0.000 0.984 1063 I CA -0.493 60.831 61.300 0.040 0.000 1.214 1063 I CB 1.922 39.935 38.000 0.021 0.000 1.365 1063 I HN 0.271 nan 8.210 nan 0.000 0.469 1064 V N 5.116 125.094 119.914 0.106 0.000 2.444 1064 V HA 0.415 4.535 4.120 0.000 0.000 0.294 1064 V C -0.445 175.738 176.094 0.148 0.000 1.022 1064 V CA -0.487 61.874 62.300 0.100 0.000 0.850 1064 V CB 2.012 33.875 31.823 0.066 0.000 0.992 1064 V HN 0.897 nan 8.190 nan 0.000 0.426 1065 C N 4.993 124.376 119.300 0.139 0.000 2.551 1065 C HA 0.704 5.164 4.460 0.000 0.000 0.332 1065 C C 0.501 175.596 174.990 0.174 0.000 1.139 1065 C CA -0.388 58.736 59.018 0.175 0.000 1.328 1065 C CB 1.166 29.011 27.740 0.175 0.000 1.903 1065 C HN 1.045 nan 8.230 nan 0.000 0.459 1066 S N 3.292 119.102 115.700 0.184 0.000 2.592 1066 S HA 0.378 4.848 4.470 0.000 0.000 0.271 1066 S C 0.919 175.657 174.600 0.230 0.000 1.326 1066 S CA 0.395 58.685 58.200 0.150 0.000 1.024 1066 S CB 1.298 64.552 63.200 0.089 0.000 0.921 1066 S HN 1.046 nan 8.310 nan 0.000 0.527 1067 T N -1.510 113.139 114.554 0.158 0.000 3.014 1067 T HA 0.522 4.872 4.350 0.000 0.000 0.250 1067 T C 1.176 175.928 174.700 0.086 0.000 1.060 1067 T CA 0.252 62.474 62.100 0.203 0.000 1.040 1067 T CB -0.886 68.052 68.868 0.116 0.000 0.971 1067 T HN 1.909 nan 8.240 nan 0.000 0.497 1068 G N 1.546 110.326 108.800 -0.034 0.000 2.828 1068 G HA2 -0.128 3.833 3.960 0.000 0.000 0.463 1068 G HA3 -0.128 3.833 3.960 0.000 0.000 0.463 1068 G C -0.578 174.296 174.900 -0.043 0.000 1.394 1068 G CA -0.527 44.510 45.100 -0.106 0.000 0.862 1068 G HN 0.635 nan 8.290 nan 0.000 0.540 1069 I N 2.155 122.693 120.570 -0.053 0.000 2.416 1069 I HA 0.510 4.680 4.170 0.000 0.000 0.288 1069 I C 1.139 177.247 176.117 -0.014 0.000 1.051 1069 I CA 1.185 62.468 61.300 -0.028 0.000 1.375 1069 I CB 0.605 38.582 38.000 -0.039 0.000 1.407 1069 I HN 1.988 nan 8.210 nan 0.000 0.516 1070 G N 3.936 112.735 108.800 -0.001 0.000 2.663 1070 G HA2 -0.092 3.868 3.960 0.000 0.000 0.686 1070 G HA3 -0.092 3.868 3.960 0.000 0.000 0.686 1070 G C 0.551 175.454 174.900 0.004 0.000 1.246 1070 G CA -0.473 44.628 45.100 0.001 0.000 0.795 1070 G HN 0.931 nan 8.290 nan 0.000 0.627 1071 G N 0.376 109.176 108.800 -0.001 0.000 2.440 1071 G HA2 0.060 4.020 3.960 0.000 0.000 0.218 1071 G HA3 0.060 4.020 3.960 0.000 0.000 0.218 1071 G C 0.115 175.018 174.900 0.005 0.000 1.154 1071 G CA 2.133 47.231 45.100 -0.003 0.000 0.767 1071 G HN 0.682 nan 8.290 nan 0.000 0.552 1072 P HA -0.096 nan 4.420 nan 0.000 0.215 1072 P C 2.454 179.782 177.300 0.048 0.000 1.157 1072 P CA 2.271 65.375 63.100 0.006 0.000 0.863 1072 P CB -0.204 31.494 31.700 -0.004 0.000 0.787 1073 S N -1.989 113.752 115.700 0.069 0.000 2.406 1073 S HA -0.110 4.361 4.470 0.000 0.000 0.228 1073 S C 1.928 176.659 174.600 0.219 0.000 1.020 1073 S CA 1.686 59.992 58.200 0.176 0.000 0.965 1073 S CB -1.956 61.292 63.200 0.080 0.000 0.798 1073 S HN 0.080 nan 8.310 nan 0.000 0.488 1074 T N 3.152 117.769 114.554 0.105 0.000 2.684 1074 T HA -0.130 4.220 4.350 0.000 0.000 0.267 1074 T C 2.334 177.029 174.700 -0.009 0.000 1.036 1074 T CA 1.931 64.064 62.100 0.056 0.000 1.148 1074 T CB -0.772 68.097 68.868 0.001 0.000 0.863 1074 T HN 0.799 nan 8.240 nan 0.000 0.436 1075 S N 1.167 116.866 115.700 -0.001 0.000 2.399 1075 S HA -0.031 4.439 4.470 0.000 0.000 0.231 1075 S C 2.068 176.664 174.600 -0.008 0.000 1.022 1075 S CA 0.783 58.982 58.200 -0.001 0.000 0.983 1075 S CB -0.736 62.563 63.200 0.165 0.000 0.803 1075 S HN 0.508 nan 8.310 nan 0.000 0.480 1076 I N 2.028 122.583 120.570 -0.026 0.000 2.233 1076 I HA -0.080 4.091 4.170 0.000 0.000 0.243 1076 I C 3.116 179.103 176.117 -0.218 0.000 1.093 1076 I CA 1.026 62.241 61.300 -0.143 0.000 1.380 1076 I CB -0.719 37.106 38.000 -0.292 0.000 1.067 1076 I HN 0.425 nan 8.210 nan 0.000 0.413 1077 A N 0.573 123.270 122.820 -0.206 0.000 1.883 1077 A HA -0.173 4.147 4.320 0.000 0.000 0.217 1077 A C 2.414 179.961 177.584 -0.062 0.000 1.186 1077 A CA 1.995 53.927 52.037 -0.175 0.000 0.624 1077 A CB -1.047 17.981 19.000 0.046 0.000 0.822 1077 A HN 0.239 nan 8.150 nan 0.000 0.444 1078 V N 0.189 120.026 119.914 -0.128 0.000 2.295 1078 V HA -0.248 3.873 4.120 0.000 0.000 0.246 1078 V C 2.631 178.632 176.094 -0.156 0.000 1.049 1078 V CA 2.469 64.578 62.300 -0.319 0.000 1.024 1078 V CB -0.816 30.625 31.823 -0.637 0.000 0.648 1078 V HN 0.770 nan 8.190 nan 0.000 0.447 1079 E N 0.923 121.061 120.200 -0.103 0.000 2.051 1079 E HA -0.245 4.105 4.350 0.000 0.000 0.192 1079 E C 2.076 178.698 176.600 0.038 0.000 0.991 1079 E CA 2.001 58.394 56.400 -0.010 0.000 0.799 1079 E CB -0.298 29.426 29.700 0.040 0.000 0.748 1079 E HN 0.685 nan 8.360 nan 0.000 0.449 1080 E N -0.138 120.072 120.200 0.016 0.000 2.107 1080 E HA -0.088 4.262 4.350 0.000 0.000 0.191 1080 E C 2.284 178.922 176.600 0.064 0.000 0.982 1080 E CA 0.881 57.300 56.400 0.032 0.000 0.809 1080 E CB -0.117 29.579 29.700 -0.006 0.000 0.756 1080 E HN 0.299 nan 8.360 nan 0.000 0.459 1081 L N 0.788 122.076 121.223 0.108 0.000 2.046 1081 L HA -0.200 4.140 4.340 0.000 0.000 0.208 1081 L C 2.620 179.608 176.870 0.198 0.000 1.077 1081 L CA 1.068 56.013 54.840 0.175 0.000 0.747 1081 L CB -0.499 41.757 42.059 0.328 0.000 0.896 1081 L HN 0.142 nan 8.230 nan 0.000 0.432 1082 A N -0.443 122.545 122.820 0.280 0.000 1.883 1082 A HA -0.274 4.046 4.320 0.000 0.000 0.217 1082 A C 2.223 179.875 177.584 0.112 0.000 1.186 1082 A CA 1.715 53.886 52.037 0.224 0.000 0.624 1082 A CB -0.538 18.579 19.000 0.195 0.000 0.822 1082 A HN 0.490 nan 8.150 nan 0.000 0.444 1083 Q N -0.619 119.234 119.800 0.088 0.000 2.135 1083 Q HA -0.124 4.217 4.340 0.000 0.000 0.204 1083 Q C 1.906 177.935 176.000 0.047 0.000 0.981 1083 Q CA 1.485 57.324 55.803 0.060 0.000 0.856 1083 Q CB -0.335 28.436 28.738 0.054 0.000 0.902 1083 Q HN 0.692 nan 8.270 nan 0.000 0.425 1084 L N -1.397 119.855 121.223 0.048 0.000 2.478 1084 L HA 0.019 4.359 4.340 0.000 0.000 0.223 1084 L C 1.337 178.218 176.870 0.019 0.000 1.140 1084 L CA 0.770 55.628 54.840 0.030 0.000 0.842 1084 L CB 0.114 42.190 42.059 0.029 0.000 0.953 1084 L HN 0.471 nan 8.230 nan 0.000 0.452 1085 G N -1.007 107.806 108.800 0.022 0.000 2.273 1085 G HA2 -0.147 3.813 3.960 0.000 0.000 0.162 1085 G HA3 -0.147 3.813 3.960 0.000 0.000 0.162 1085 G C 0.173 175.056 174.900 -0.029 0.000 1.006 1085 G CA -0.742 44.361 45.100 0.003 0.000 0.704 1085 G HN 0.009 nan 8.290 nan 0.000 0.487 1086 I N 1.282 121.821 120.570 -0.053 0.000 2.588 1086 I HA 0.342 4.512 4.170 0.000 0.000 0.283 1086 I C 1.283 177.290 176.117 -0.182 0.000 1.119 1086 I CA 0.196 61.368 61.300 -0.212 0.000 1.419 1086 I CB 1.088 38.838 38.000 -0.418 0.000 1.394 1086 I HN 0.077 nan 8.210 nan 0.000 0.562 1087 R N 2.874 123.241 120.500 -0.221 0.000 2.469 1087 R HA 0.201 4.542 4.340 0.000 0.000 0.250 1087 R C -0.180 176.075 176.300 -0.075 0.000 0.909 1087 R CA 0.224 56.287 56.100 -0.061 0.000 1.050 1087 R CB 0.501 30.788 30.300 -0.021 0.000 1.256 1087 R HN 0.529 nan 8.270 nan 0.000 0.550 1088 T N 1.246 115.622 114.554 -0.297 0.000 2.848 1088 T HA 0.605 4.955 4.350 0.000 0.000 0.285 1088 T C -1.082 173.374 174.700 -0.408 0.000 0.995 1088 T CA -0.286 61.706 62.100 -0.180 0.000 0.970 1088 T CB 1.329 70.134 68.868 -0.105 0.000 0.976 1088 T HN -0.176 nan 8.240 nan 0.000 0.441 1089 F N 2.479 122.424 119.950 -0.008 0.000 2.518 1089 F HA 0.595 5.122 4.527 0.000 0.000 0.323 1089 F C -0.343 175.451 175.800 -0.009 0.000 1.129 1089 F CA -1.090 56.905 58.000 -0.008 0.000 0.920 1089 F CB 1.445 40.436 39.000 -0.015 0.000 1.160 1089 F HN 0.207 nan 8.300 nan 0.000 0.440 1090 L N 4.038 125.343 121.223 0.137 0.000 2.316 1090 L HA 0.530 4.870 4.340 0.000 0.000 0.280 1090 L C -0.106 176.811 176.870 0.079 0.000 1.006 1090 L CA -0.695 54.193 54.840 0.079 0.000 0.836 1090 L CB 1.836 43.912 42.059 0.029 0.000 1.221 1090 L HN 0.607 nan 8.230 nan 0.000 0.418 1091 R N 4.080 124.621 120.500 0.067 0.000 2.357 1091 R HA 0.496 4.836 4.340 0.000 0.000 0.296 1091 R C -0.935 175.383 176.300 0.030 0.000 1.052 1091 R CA -0.413 55.717 56.100 0.050 0.000 0.988 1091 R CB 1.240 31.562 30.300 0.037 0.000 1.025 1091 R HN 0.521 nan 8.270 nan 0.000 0.469 1092 I N 4.148 124.733 120.570 0.026 0.000 2.418 1092 I HA 0.532 4.702 4.170 0.000 0.000 0.287 1092 I C -0.808 175.318 176.117 0.015 0.000 1.008 1092 I CA -0.115 61.194 61.300 0.015 0.000 1.104 1092 I CB 1.347 39.352 38.000 0.007 0.000 1.264 1092 I HN 0.863 nan 8.210 nan 0.000 0.438 1093 G N 4.713 113.522 108.800 0.015 0.000 2.818 1093 G HA2 0.749 4.709 3.960 0.000 0.000 0.286 1093 G HA3 0.749 4.709 3.960 0.000 0.000 0.286 1093 G C -1.065 173.846 174.900 0.017 0.000 1.364 1093 G CA -0.440 44.669 45.100 0.016 0.000 0.938 1093 G HN 0.613 nan 8.290 nan 0.000 0.490 1094 T N -2.740 111.826 114.554 0.019 0.000 2.908 1094 T HA 0.760 5.110 4.350 0.000 0.000 0.290 1094 T C -0.505 174.212 174.700 0.029 0.000 1.034 1094 T CA -0.765 61.348 62.100 0.022 0.000 1.010 1094 T CB 2.113 70.993 68.868 0.019 0.000 1.068 1094 T HN 0.825 nan 8.240 nan 0.000 0.481 1095 T N -0.154 114.416 114.554 0.026 0.000 2.821 1095 T HA 0.668 5.018 4.350 0.000 0.000 0.306 1095 T C -0.622 174.089 174.700 0.019 0.000 1.313 1095 T CA -0.405 61.711 62.100 0.027 0.000 1.012 1095 T CB 1.412 70.289 68.868 0.015 0.000 1.298 1095 T HN 1.163 nan 8.240 nan 0.000 0.502 1096 G N 1.391 110.203 108.800 0.019 0.000 2.335 1096 G HA2 0.649 4.610 3.960 0.000 0.000 0.316 1096 G HA3 0.649 4.610 3.960 0.000 0.000 0.316 1096 G C -0.016 174.882 174.900 -0.003 0.000 1.129 1096 G CA -0.139 44.966 45.100 0.009 0.000 0.899 1096 G HN 0.959 nan 8.290 nan 0.000 0.448 1097 A N 2.066 124.866 122.820 -0.033 0.000 2.322 1097 A HA 0.601 4.921 4.320 0.000 0.000 0.269 1097 A C 1.047 178.593 177.584 -0.063 0.000 1.094 1097 A CA -0.505 51.485 52.037 -0.078 0.000 0.807 1097 A CB 0.395 19.320 19.000 -0.124 0.000 1.047 1097 A HN 1.263 nan 8.150 nan 0.000 0.487 1098 I N -2.556 117.957 120.570 -0.095 0.000 4.147 1098 I HA 0.256 4.426 4.170 0.000 0.000 0.329 1098 I C -0.308 175.771 176.117 -0.063 0.000 1.424 1098 I CA -0.300 60.966 61.300 -0.057 0.000 1.127 1098 I CB 0.221 38.181 38.000 -0.066 0.000 1.128 1098 I HN 0.313 nan 8.210 nan 0.000 0.417 1099 Q N 2.121 121.845 119.800 -0.127 0.000 2.271 1099 Q HA 0.387 4.727 4.340 0.000 0.000 0.258 1099 Q C -1.962 173.954 176.000 -0.140 0.000 0.936 1099 Q CA -1.908 53.819 55.803 -0.127 0.000 0.909 1099 Q CB 1.984 30.574 28.738 -0.247 0.000 1.253 1099 Q HN 0.001 nan 8.270 nan 0.000 0.440 1100 P HA -0.155 nan 4.420 nan 0.000 0.218 1100 P C 0.893 178.187 177.300 -0.010 0.000 1.149 1100 P CA 1.344 64.440 63.100 -0.007 0.000 0.817 1100 P CB 0.086 31.811 31.700 0.041 0.000 0.785 1101 H N -1.393 117.649 119.070 -0.047 0.000 2.547 1101 H HA 0.138 4.695 4.556 0.000 0.000 0.266 1101 H C 0.346 175.628 175.328 -0.077 0.000 0.988 1101 H CA 0.032 56.057 56.048 -0.038 0.000 1.147 1101 H CB -0.521 29.230 29.762 -0.019 0.000 1.365 1101 H HN 0.138 nan 8.280 nan 0.000 0.589 1102 I N 2.869 123.092 120.570 -0.579 0.000 2.297 1102 I HA 0.097 4.267 4.170 0.000 0.000 0.291 1102 I C -0.421 175.582 176.117 -0.189 0.000 1.033 1102 I CA -0.309 60.672 61.300 -0.532 0.000 1.253 1102 I CB 0.666 38.254 38.000 -0.686 0.000 1.396 1102 I HN 0.138 nan 8.210 nan 0.000 0.476 1103 N N 4.375 123.045 118.700 -0.049 0.000 2.508 1103 N HA 0.324 5.064 4.740 0.000 0.000 0.285 1103 N C -0.526 174.979 175.510 -0.007 0.000 1.144 1103 N CA -0.699 52.344 53.050 -0.012 0.000 0.978 1103 N CB 1.693 40.193 38.487 0.021 0.000 1.180 1103 N HN 0.218 nan 8.380 nan 0.000 0.484 1104 V N 1.355 121.261 119.914 -0.014 0.000 2.694 1104 V HA 0.132 4.252 4.120 0.000 0.000 0.306 1104 V C 1.449 177.531 176.094 -0.019 0.000 1.054 1104 V CA 1.680 63.972 62.300 -0.014 0.000 1.161 1104 V CB 0.228 32.044 31.823 -0.013 0.000 0.916 1104 V HN 1.073 nan 8.190 nan 0.000 0.490 1105 G N 3.613 112.398 108.800 -0.026 0.000 2.234 1105 G HA2 -0.189 3.771 3.960 0.000 0.000 0.235 1105 G HA3 -0.189 3.771 3.960 0.000 0.000 0.235 1105 G C -0.021 174.856 174.900 -0.038 0.000 0.997 1105 G CA 0.091 45.154 45.100 -0.061 0.000 0.623 1105 G HN 0.682 nan 8.290 nan 0.000 0.514 1106 D N -0.005 120.407 120.400 0.020 0.000 2.360 1106 D HA 0.527 5.168 4.640 0.000 0.000 0.242 1106 D C 0.490 176.840 176.300 0.083 0.000 1.184 1106 D CA 0.082 54.127 54.000 0.075 0.000 0.930 1106 D CB 1.588 42.504 40.800 0.194 0.000 1.161 1106 D HN 0.239 nan 8.370 nan 0.000 0.447 1107 V N 1.472 121.444 119.914 0.095 0.000 2.555 1107 V HA 0.381 4.501 4.120 0.000 0.000 0.302 1107 V C -0.181 175.967 176.094 0.090 0.000 1.038 1107 V CA -0.770 61.580 62.300 0.083 0.000 0.887 1107 V CB 1.516 33.386 31.823 0.078 0.000 0.991 1107 V HN 0.273 nan 8.190 nan 0.000 0.434 1108 L N 4.930 126.195 121.223 0.070 0.000 2.313 1108 L HA 0.657 4.997 4.340 0.000 0.000 0.283 1108 L C -0.766 176.126 176.870 0.037 0.000 1.013 1108 L CA -0.795 54.086 54.840 0.068 0.000 0.816 1108 L CB 1.926 44.010 42.059 0.041 0.000 1.236 1108 L HN 0.320 nan 8.230 nan 0.000 0.419 1109 V N 1.814 121.748 119.914 0.034 0.000 2.417 1109 V HA 0.335 4.456 4.120 0.000 0.000 0.291 1109 V C 0.204 176.306 176.094 0.014 0.000 1.024 1109 V CA -0.383 61.925 62.300 0.014 0.000 0.861 1109 V CB 1.893 33.718 31.823 0.002 0.000 0.985 1109 V HN 0.739 nan 8.190 nan 0.000 0.436 1110 T N 3.194 117.751 114.554 0.005 0.000 2.744 1110 T HA 0.217 4.567 4.350 0.000 0.000 0.291 1110 T C 1.283 175.986 174.700 0.005 0.000 0.957 1110 T CA 0.149 62.249 62.100 0.000 0.000 1.002 1110 T CB 1.248 70.110 68.868 -0.009 0.000 0.919 1110 T HN 0.962 nan 8.240 nan 0.000 0.468 1111 T N 0.636 115.196 114.554 0.009 0.000 2.978 1111 T HA 0.478 4.828 4.350 0.000 0.000 0.262 1111 T C 0.718 175.426 174.700 0.014 0.000 1.063 1111 T CA 0.310 62.422 62.100 0.020 0.000 1.140 1111 T CB 0.147 69.032 68.868 0.028 0.000 0.886 1111 T HN 0.778 nan 8.240 nan 0.000 0.470 1112 A N -0.147 122.672 122.820 -0.001 0.000 2.567 1112 A HA 0.655 4.975 4.320 0.000 0.000 0.291 1112 A C -1.095 176.470 177.584 -0.031 0.000 1.048 1112 A CA -0.853 51.179 52.037 -0.008 0.000 0.661 1112 A CB 1.045 20.040 19.000 -0.009 0.000 1.288 1112 A HN 0.204 nan 8.150 nan 0.000 0.424 1113 S N -0.323 115.356 115.700 -0.035 0.000 2.536 1113 S HA 0.603 5.073 4.470 0.000 0.000 0.298 1113 S C -0.383 174.162 174.600 -0.092 0.000 1.083 1113 S CA -0.567 57.590 58.200 -0.071 0.000 0.995 1113 S CB 1.720 64.887 63.200 -0.055 0.000 1.058 1113 S HN 0.975 nan 8.310 nan 0.000 0.488 1114 V N 3.212 123.017 119.914 -0.182 0.000 2.479 1114 V HA 0.153 4.273 4.120 0.000 0.000 0.281 1114 V C 0.606 176.610 176.094 -0.150 0.000 1.031 1114 V CA 0.088 62.241 62.300 -0.244 0.000 1.038 1114 V CB -0.171 31.297 31.823 -0.592 0.000 0.981 1114 V HN 0.693 nan 8.190 nan 0.000 0.478 1115 R N 5.400 125.866 120.500 -0.058 0.000 2.891 1115 R HA 0.319 4.659 4.340 0.000 0.000 0.248 1115 R C -0.013 176.319 176.300 0.052 0.000 1.439 1115 R CA -0.120 55.986 56.100 0.011 0.000 1.288 1115 R CB 0.016 30.348 30.300 0.054 0.000 1.212 1115 R HN 0.669 nan 8.270 nan 0.000 0.605 1116 L N 2.170 123.426 121.223 0.055 0.000 2.912 1116 L HA 0.154 4.494 4.340 0.000 0.000 0.240 1116 L C 0.184 177.135 176.870 0.134 0.000 1.262 1116 L CA -0.295 54.644 54.840 0.166 0.000 1.058 1116 L CB -0.663 41.528 42.059 0.220 0.000 1.383 1116 L HN 0.498 nan 8.230 nan 0.000 0.512 1117 D N -1.373 119.082 120.400 0.092 0.000 2.497 1117 D HA 0.330 4.970 4.640 0.000 0.000 0.243 1117 D C 0.700 177.044 176.300 0.073 0.000 1.039 1117 D CA -0.402 53.638 54.000 0.065 0.000 1.052 1117 D CB 1.927 42.748 40.800 0.036 0.000 1.344 1117 D HN -0.068 nan 8.370 nan 0.000 0.553 1118 G N -1.050 107.774 108.800 0.040 0.000 2.724 1118 G HA2 0.230 4.190 3.960 0.000 0.000 0.205 1118 G HA3 0.230 4.190 3.960 0.000 0.000 0.205 1118 G C 1.278 176.155 174.900 -0.039 0.000 1.112 1118 G CA 0.576 45.697 45.100 0.035 0.000 0.793 1118 G HN 0.615 nan 8.290 nan 0.000 0.526 1119 A N 1.758 124.515 122.820 -0.106 0.000 1.969 1119 A HA 0.005 4.326 4.320 0.000 0.000 0.218 1119 A C 2.667 180.318 177.584 0.112 0.000 1.169 1119 A CA 2.328 54.256 52.037 -0.182 0.000 0.635 1119 A CB -0.654 18.306 19.000 -0.066 0.000 0.810 1119 A HN 0.700 nan 8.150 nan 0.000 0.445 1120 S N 0.329 116.116 115.700 0.145 0.000 2.383 1120 S HA -0.139 4.332 4.470 0.000 0.000 0.229 1120 S C 1.711 176.459 174.600 0.245 0.000 1.030 1120 S CA 1.529 59.859 58.200 0.218 0.000 1.002 1120 S CB -0.776 62.498 63.200 0.124 0.000 0.829 1120 S HN 0.455 nan 8.310 nan 0.000 0.467 1121 L N 0.777 122.120 121.223 0.200 0.000 2.456 1121 L HA -0.001 4.340 4.340 0.000 0.000 0.224 1121 L C 2.304 179.274 176.870 0.166 0.000 1.148 1121 L CA 1.048 55.996 54.840 0.180 0.000 0.825 1121 L CB -0.687 41.478 42.059 0.177 0.000 0.937 1121 L HN 0.503 nan 8.230 nan 0.000 0.450 1122 H N -1.840 117.173 119.070 -0.095 0.000 2.547 1122 H HA 0.023 4.579 4.556 0.000 0.000 0.266 1122 H C 1.226 176.161 175.328 -0.655 0.000 0.988 1122 H CA 0.521 56.352 56.048 -0.362 0.000 1.147 1122 H CB 0.416 29.904 29.762 -0.455 0.000 1.365 1122 H HN 0.354 nan 8.280 nan 0.000 0.589 1123 F N -0.375 119.592 119.950 0.028 0.000 2.747 1123 F HA 0.436 4.963 4.527 0.000 0.000 0.305 1123 F C 0.790 176.491 175.800 -0.165 0.000 1.065 1123 F CA -0.029 57.926 58.000 -0.075 0.000 1.230 1123 F CB 1.103 40.042 39.000 -0.102 0.000 1.027 1123 F HN -0.038 nan 8.300 nan 0.000 0.607 1124 A N 0.434 123.263 122.820 0.016 0.000 2.589 1124 A HA 0.614 4.934 4.320 0.000 0.000 0.296 1124 A C -2.828 174.774 177.584 0.030 0.000 1.062 1124 A CA -1.357 50.623 52.037 -0.097 0.000 0.686 1124 A CB 0.646 19.384 19.000 -0.436 0.000 1.282 1124 A HN -0.176 nan 8.150 nan 0.000 0.404 1125 P HA 0.156 nan 4.420 nan 0.000 0.272 1125 P C 0.843 178.223 177.300 0.133 0.000 1.240 1125 P CA -0.262 62.889 63.100 0.084 0.000 0.791 1125 P CB 0.460 32.205 31.700 0.076 0.000 0.978 1126 M N 1.027 120.693 119.600 0.111 0.000 2.267 1126 M HA -0.165 4.315 4.480 0.000 0.000 0.263 1126 M C 1.437 177.814 176.300 0.129 0.000 1.063 1126 M CA 1.882 57.252 55.300 0.117 0.000 1.090 1126 M CB -1.252 31.403 32.600 0.091 0.000 1.392 1126 M HN 0.295 nan 8.290 nan 0.000 0.422 1127 E N -0.897 119.377 120.200 0.125 0.000 2.265 1127 E HA -0.072 4.279 4.350 0.000 0.000 0.196 1127 E C 0.175 176.849 176.600 0.123 0.000 0.996 1127 E CA 0.488 56.951 56.400 0.104 0.000 0.832 1127 E CB -0.393 29.358 29.700 0.086 0.000 0.756 1127 E HN 0.483 nan 8.360 nan 0.000 0.491 1128 F N 2.286 122.257 119.950 0.036 0.000 2.443 1128 F HA 0.188 4.716 4.527 0.001 0.000 0.353 1128 F C -2.027 173.791 175.800 0.030 0.000 1.101 1128 F CA -2.828 55.193 58.000 0.034 0.000 1.226 1128 F CB 0.646 39.672 39.000 0.044 0.000 1.140 1128 F HN -0.137 nan 8.300 nan 0.000 0.557 1129 P HA 0.189 nan 4.420 nan 0.000 0.286 1129 P C -1.330 176.018 177.300 0.080 0.000 1.269 1129 P CA -0.463 62.580 63.100 -0.095 0.000 0.787 1129 P CB 1.383 32.958 31.700 -0.208 0.000 0.920 1130 A N 3.975 126.858 122.820 0.105 0.000 3.026 1130 A HA 0.256 4.576 4.320 0.000 0.000 0.272 1130 A C 0.290 177.907 177.584 0.055 0.000 1.782 1130 A CA -0.266 51.836 52.037 0.109 0.000 1.451 1130 A CB -1.015 18.023 19.000 0.063 0.000 1.081 1130 A HN 0.469 nan 8.150 nan 0.000 0.611 1131 V N 1.671 121.622 119.914 0.061 0.000 2.532 1131 V HA 0.710 4.830 4.120 0.000 0.000 0.295 1131 V C 0.608 176.733 176.094 0.052 0.000 1.041 1131 V CA -0.233 62.085 62.300 0.031 0.000 0.926 1131 V CB 1.472 33.290 31.823 -0.008 0.000 0.992 1131 V HN 0.892 nan 8.190 nan 0.000 0.457 1132 A N 4.180 127.027 122.820 0.044 0.000 2.351 1132 A HA 0.413 4.734 4.320 0.000 0.000 0.257 1132 A C 0.034 177.662 177.584 0.074 0.000 1.087 1132 A CA -0.225 51.842 52.037 0.050 0.000 0.798 1132 A CB 0.208 19.228 19.000 0.034 0.000 1.033 1132 A HN 1.035 nan 8.150 nan 0.000 0.488 1133 D N 0.210 120.657 120.400 0.077 0.000 2.424 1133 D HA 0.091 4.732 4.640 0.000 0.000 0.244 1133 D C 0.660 177.029 176.300 0.115 0.000 1.134 1133 D CA 0.024 54.085 54.000 0.102 0.000 0.881 1133 D CB 0.173 41.025 40.800 0.087 0.000 1.191 1133 D HN 0.391 nan 8.370 nan 0.000 0.445 1134 F N 3.985 123.945 119.950 0.016 0.000 2.146 1134 F HA -0.047 4.480 4.527 -0.000 0.000 0.298 1134 F C 1.980 177.786 175.800 0.010 0.000 1.096 1134 F CA 1.593 59.599 58.000 0.010 0.000 1.275 1134 F CB -0.337 38.667 39.000 0.006 0.000 1.008 1134 F HN 0.474 nan 8.300 nan 0.000 0.480 1135 A N -0.424 122.373 122.820 -0.039 0.000 1.902 1135 A HA -0.187 4.133 4.320 0.000 0.000 0.217 1135 A C 2.340 179.828 177.584 -0.160 0.000 1.181 1135 A CA 1.731 53.683 52.037 -0.142 0.000 0.623 1135 A CB -1.657 17.350 19.000 0.012 0.000 0.818 1135 A HN 0.567 nan 8.150 nan 0.000 0.443 1136 C N -1.072 118.181 119.300 -0.079 0.000 2.432 1136 C HA -0.076 4.384 4.460 0.000 0.000 0.277 1136 C C 3.043 177.974 174.990 -0.097 0.000 1.249 1136 C CA 1.520 60.501 59.018 -0.062 0.000 1.725 1136 C CB -1.526 26.210 27.740 -0.008 0.000 2.028 1136 C HN 0.645 nan 8.230 nan 0.000 0.477 1137 T N 0.666 115.149 114.554 -0.118 0.000 2.746 1137 T HA -0.167 4.183 4.350 0.000 0.000 0.267 1137 T C 1.796 176.380 174.700 -0.193 0.000 1.039 1137 T CA 2.170 64.197 62.100 -0.123 0.000 1.142 1137 T CB -0.579 68.238 68.868 -0.084 0.000 0.866 1137 T HN 0.595 nan 8.240 nan 0.000 0.444 1138 T N 2.109 116.447 114.554 -0.360 0.000 2.684 1138 T HA -0.100 4.250 4.350 0.000 0.000 0.267 1138 T C 2.403 176.983 174.700 -0.199 0.000 1.036 1138 T CA 1.330 63.213 62.100 -0.361 0.000 1.148 1138 T CB -0.632 67.887 68.868 -0.582 0.000 0.863 1138 T HN 0.453 nan 8.240 nan 0.000 0.436 1139 A N 0.997 123.717 122.820 -0.166 0.000 1.933 1139 A HA 0.002 4.322 4.320 0.000 0.000 0.218 1139 A C 2.321 179.855 177.584 -0.082 0.000 1.175 1139 A CA 1.241 53.216 52.037 -0.104 0.000 0.628 1139 A CB -0.825 18.126 19.000 -0.082 0.000 0.814 1139 A HN 0.484 nan 8.150 nan 0.000 0.444 1140 L N -0.746 120.430 121.223 -0.079 0.000 2.056 1140 L HA -0.148 4.192 4.340 0.000 0.000 0.207 1140 L C 2.536 179.372 176.870 -0.057 0.000 1.078 1140 L CA 1.030 55.835 54.840 -0.058 0.000 0.749 1140 L CB -0.590 41.442 42.059 -0.044 0.000 0.901 1140 L HN 0.238 nan 8.230 nan 0.000 0.433 1141 V N -0.078 119.795 119.914 -0.068 0.000 2.295 1141 V HA -0.283 3.837 4.120 0.000 0.000 0.246 1141 V C 2.391 178.452 176.094 -0.055 0.000 1.049 1141 V CA 1.885 64.151 62.300 -0.057 0.000 1.024 1141 V CB -0.488 31.298 31.823 -0.062 0.000 0.648 1141 V HN 0.457 nan 8.190 nan 0.000 0.447 1142 E N 0.237 120.398 120.200 -0.065 0.000 2.077 1142 E HA -0.193 4.158 4.350 0.000 0.000 0.193 1142 E C 2.318 178.887 176.600 -0.051 0.000 0.989 1142 E CA 1.321 57.688 56.400 -0.055 0.000 0.800 1142 E CB -0.354 29.310 29.700 -0.060 0.000 0.746 1142 E HN 0.599 nan 8.360 nan 0.000 0.452 1143 A N 1.447 124.234 122.820 -0.056 0.000 1.933 1143 A HA -0.086 4.234 4.320 0.000 0.000 0.218 1143 A C 2.389 179.936 177.584 -0.063 0.000 1.175 1143 A CA 1.531 53.533 52.037 -0.058 0.000 0.628 1143 A CB -0.578 18.387 19.000 -0.058 0.000 0.814 1143 A HN 0.289 nan 8.150 nan 0.000 0.444 1144 A N -0.227 122.559 122.820 -0.056 0.000 1.940 1144 A HA -0.174 4.146 4.320 0.000 0.000 0.219 1144 A C 2.123 179.679 177.584 -0.047 0.000 1.176 1144 A CA 1.785 53.791 52.037 -0.052 0.000 0.631 1144 A CB -0.374 18.605 19.000 -0.034 0.000 0.814 1144 A HN 0.507 nan 8.150 nan 0.000 0.446 1145 K N -0.255 120.120 120.400 -0.042 0.000 2.155 1145 K HA -0.028 4.292 4.320 0.000 0.000 0.203 1145 K C 2.257 178.835 176.600 -0.036 0.000 1.052 1145 K CA 1.249 57.516 56.287 -0.034 0.000 0.948 1145 K CB -0.136 32.346 32.500 -0.030 0.000 0.728 1145 K HN 0.451 nan 8.250 nan 0.000 0.448 1146 S N 1.204 116.877 115.700 -0.044 0.000 2.383 1146 S HA -0.092 4.378 4.470 0.000 0.000 0.227 1146 S C 1.855 176.420 174.600 -0.058 0.000 1.026 1146 S CA 0.974 59.147 58.200 -0.045 0.000 0.981 1146 S CB -0.071 63.100 63.200 -0.047 0.000 0.818 1146 S HN 0.116 nan 8.310 nan 0.000 0.472 1147 I N 0.361 120.880 120.570 -0.085 0.000 2.584 1147 I HA 0.149 4.319 4.170 0.000 0.000 0.255 1147 I C 1.754 177.814 176.117 -0.096 0.000 1.145 1147 I CA 0.858 62.077 61.300 -0.135 0.000 1.462 1147 I CB -0.470 37.383 38.000 -0.245 0.000 1.102 1147 I HN 0.418 nan 8.210 nan 0.000 0.433 1148 G N 0.180 108.954 108.800 -0.042 0.000 2.145 1148 G HA2 -0.024 3.936 3.960 0.000 0.000 0.176 1148 G HA3 -0.024 3.936 3.960 0.000 0.000 0.176 1148 G C 0.362 175.314 174.900 0.087 0.000 1.013 1148 G CA -0.146 44.966 45.100 0.020 0.000 0.689 1148 G HN 0.617 nan 8.290 nan 0.000 0.506 1149 A N -0.215 122.655 122.820 0.083 0.000 2.304 1149 A HA 0.798 5.118 4.320 0.000 0.000 0.271 1149 A C 0.697 178.306 177.584 0.042 0.000 1.091 1149 A CA 0.545 52.675 52.037 0.154 0.000 0.812 1149 A CB 0.598 19.709 19.000 0.186 0.000 1.056 1149 A HN 0.722 nan 8.150 nan 0.000 0.489 1150 T N 2.318 116.882 114.554 0.017 0.000 2.729 1150 T HA 0.464 4.814 4.350 0.000 0.000 0.296 1150 T C -0.111 174.501 174.700 -0.146 0.000 0.928 1150 T CA 0.373 62.432 62.100 -0.069 0.000 1.045 1150 T CB 0.059 68.898 68.868 -0.047 0.000 0.902 1150 T HN 0.626 nan 8.240 nan 0.000 0.500 1151 T N 4.578 118.990 114.554 -0.238 0.000 2.856 1151 T HA 0.428 4.778 4.350 0.000 0.000 0.283 1151 T C -0.623 173.834 174.700 -0.406 0.000 1.008 1151 T CA -0.810 61.162 62.100 -0.213 0.000 0.997 1151 T CB 0.928 69.744 68.868 -0.086 0.000 0.992 1151 T HN 0.521 nan 8.240 nan 0.000 0.454 1152 H N 0.873 119.956 119.070 0.022 0.000 2.538 1152 H HA 0.576 5.132 4.556 0.000 0.000 0.353 1152 H C -1.036 174.303 175.328 0.017 0.000 1.109 1152 H CA -0.571 55.496 56.048 0.031 0.000 1.192 1152 H CB 1.901 31.678 29.762 0.025 0.000 1.555 1152 H HN 0.268 nan 8.280 nan 0.000 0.518 1153 V N 2.232 122.221 119.914 0.125 0.000 2.487 1153 V HA 0.703 4.824 4.120 0.000 0.000 0.298 1153 V C 0.497 176.632 176.094 0.069 0.000 1.028 1153 V CA -0.188 62.154 62.300 0.070 0.000 0.860 1153 V CB 1.392 33.239 31.823 0.041 0.000 0.991 1153 V HN 1.109 nan 8.190 nan 0.000 0.427 1154 G N 3.322 112.149 108.800 0.045 0.000 2.399 1154 G HA2 0.380 4.340 3.960 0.000 0.000 0.256 1154 G HA3 0.380 4.340 3.960 0.000 0.000 0.256 1154 G C -1.499 173.404 174.900 0.004 0.000 1.236 1154 G CA -0.375 44.744 45.100 0.031 0.000 0.914 1154 G HN 0.508 nan 8.290 nan 0.000 0.482 1155 V N 0.806 120.712 119.914 -0.013 0.000 2.567 1155 V HA 0.678 4.798 4.120 0.000 0.000 0.289 1155 V C 0.229 176.271 176.094 -0.087 0.000 1.049 1155 V CA -0.108 62.165 62.300 -0.046 0.000 0.969 1155 V CB 1.397 33.193 31.823 -0.046 0.000 0.995 1155 V HN 0.779 nan 8.190 nan 0.000 0.471 1156 T N 3.441 117.929 114.554 -0.110 0.000 2.863 1156 T HA 0.655 5.005 4.350 0.000 0.000 0.285 1156 T C -0.147 174.422 174.700 -0.219 0.000 1.009 1156 T CA -0.302 61.710 62.100 -0.147 0.000 0.989 1156 T CB 1.658 70.472 68.868 -0.090 0.000 1.004 1156 T HN 0.898 nan 8.240 nan 0.000 0.455 1157 A N 2.180 124.811 122.820 -0.316 0.000 2.269 1157 A HA 0.621 4.941 4.320 0.000 0.000 0.302 1157 A C 0.334 177.844 177.584 -0.124 0.000 1.266 1157 A CA -0.443 51.365 52.037 -0.382 0.000 0.894 1157 A CB 0.387 18.959 19.000 -0.714 0.000 1.147 1157 A HN 0.624 nan 8.150 nan 0.000 0.537 1158 S N 2.149 117.789 115.700 -0.099 0.000 2.461 1158 S HA 0.502 4.972 4.470 0.000 0.000 0.322 1158 S C -0.063 174.535 174.600 -0.003 0.000 1.063 1158 S CA -0.323 57.861 58.200 -0.027 0.000 1.120 1158 S CB 0.300 63.480 63.200 -0.033 0.000 0.968 1158 S HN 0.929 nan 8.310 nan 0.000 0.467 1159 S N 3.275 118.977 115.700 0.003 0.000 2.475 1159 S HA 0.346 4.816 4.470 0.000 0.000 0.298 1159 S C 0.446 175.020 174.600 -0.043 0.000 1.119 1159 S CA -0.637 57.541 58.200 -0.038 0.000 1.085 1159 S CB 1.099 64.207 63.200 -0.153 0.000 1.028 1159 S HN 0.706 nan 8.310 nan 0.000 0.489 1160 D N 2.127 122.512 120.400 -0.026 0.000 2.378 1160 D HA 0.095 4.735 4.640 0.000 0.000 0.227 1160 D C 0.742 177.026 176.300 -0.027 0.000 1.012 1160 D CA 0.798 54.791 54.000 -0.011 0.000 0.905 1160 D CB 0.143 40.955 40.800 0.019 0.000 0.895 1160 D HN 0.718 nan 8.370 nan 0.000 0.532 1161 T N -4.157 110.346 114.554 -0.085 0.000 2.906 1161 T HA 0.304 4.654 4.350 0.000 0.000 0.295 1161 T C 0.462 175.097 174.700 -0.109 0.000 1.075 1161 T CA -0.885 61.178 62.100 -0.060 0.000 1.005 1161 T CB 1.205 70.030 68.868 -0.071 0.000 1.136 1161 T HN -0.121 nan 8.240 nan 0.000 0.498 1162 F N -0.122 119.692 119.950 -0.227 0.000 2.473 1162 F HA 0.221 4.748 4.527 0.000 0.000 0.294 1162 F C 0.984 176.443 175.800 -0.569 0.000 1.103 1162 F CA 0.636 58.380 58.000 -0.426 0.000 1.442 1162 F CB 0.021 38.704 39.000 -0.528 0.000 1.097 1162 F HN 0.681 nan 8.300 nan 0.000 0.547 1163 Y N 0.674 120.929 120.300 -0.075 0.000 2.344 1163 Y HA 0.149 4.700 4.550 0.000 0.000 0.261 1163 Y C -0.511 175.212 175.900 -0.295 0.000 1.080 1163 Y CA 0.374 58.386 58.100 -0.147 0.000 1.151 1163 Y CB -1.846 36.614 38.460 -0.000 0.000 1.059 1163 Y HN -0.235 nan 8.280 nan 0.000 0.490 1164 P HA -0.075 nan 4.420 nan 0.000 0.219 1164 P C 1.420 178.429 177.300 -0.485 0.000 1.150 1164 P CA 2.078 65.042 63.100 -0.228 0.000 0.814 1164 P CB -0.177 31.459 31.700 -0.106 0.000 0.787 1165 G N 0.018 108.408 108.800 -0.683 0.000 2.509 1165 G HA2 -0.187 3.774 3.960 0.000 0.000 0.218 1165 G HA3 -0.187 3.774 3.960 0.000 0.000 0.218 1165 G C 1.314 175.719 174.900 -0.826 0.000 1.124 1165 G CA 0.251 44.636 45.100 -1.191 0.000 0.776 1165 G HN 0.374 nan 8.290 nan 0.000 0.547 1166 Q N -0.493 118.836 119.800 -0.786 0.000 2.189 1166 Q HA 0.201 4.541 4.340 0.000 0.000 0.221 1166 Q C -0.042 175.601 176.000 -0.596 0.000 0.848 1166 Q CA -0.300 54.793 55.803 -1.183 0.000 1.007 1166 Q CB 0.462 28.399 28.738 -1.335 0.000 1.116 1166 Q HN 0.597 nan 8.270 nan 0.000 0.481 1167 E N 1.777 121.759 120.200 -0.363 0.000 2.199 1167 E HA -0.243 4.107 4.350 0.000 0.000 0.208 1167 E C -0.942 175.476 176.600 -0.303 0.000 1.310 1167 E CA 0.187 56.431 56.400 -0.259 0.000 0.709 1167 E CB -0.307 29.389 29.700 -0.008 0.000 1.127 1167 E HN 0.331 nan 8.360 nan 0.000 0.354 1168 R N 0.264 120.571 120.500 -0.322 0.000 2.297 1168 R HA 0.207 4.547 4.340 0.000 0.000 0.308 1168 R C 0.202 176.373 176.300 -0.215 0.000 1.029 1168 R CA -0.211 55.795 56.100 -0.157 0.000 0.929 1168 R CB 0.527 30.803 30.300 -0.039 0.000 1.046 1168 R HN 0.232 nan 8.270 nan 0.000 0.461 1169 Y N 0.156 120.489 120.300 0.054 0.000 2.442 1169 Y HA -0.007 4.543 4.550 0.000 0.000 0.250 1169 Y C 0.713 176.639 175.900 0.042 0.000 1.113 1169 Y CA -0.257 57.868 58.100 0.042 0.000 1.273 1169 Y CB 0.565 39.041 38.460 0.026 0.000 1.138 1169 Y HN 0.547 nan 8.280 nan 0.000 0.522 1170 D N 1.514 122.027 120.400 0.189 0.000 2.767 1170 D HA 0.030 4.671 4.640 0.000 0.000 0.231 1170 D C 0.197 176.551 176.300 0.090 0.000 1.105 1170 D CA 0.315 54.398 54.000 0.138 0.000 1.024 1170 D CB -0.359 40.530 40.800 0.148 0.000 1.123 1170 D HN 0.240 nan 8.370 nan 0.000 0.470 1171 T N -3.796 110.781 114.554 0.039 0.000 2.838 1171 T HA 0.198 4.549 4.350 0.000 0.000 0.292 1171 T C 0.818 175.515 174.700 -0.006 0.000 1.113 1171 T CA -0.973 61.096 62.100 -0.051 0.000 1.008 1171 T CB 1.158 69.975 68.868 -0.085 0.000 1.259 1171 T HN 0.087 nan 8.240 nan 0.000 0.520 1172 Y N 1.501 121.730 120.300 -0.118 0.000 2.114 1172 Y HA -0.170 4.381 4.550 0.000 0.000 0.282 1172 Y C 2.696 178.576 175.900 -0.034 0.000 1.165 1172 Y CA 2.757 60.814 58.100 -0.071 0.000 1.148 1172 Y CB -0.261 38.149 38.460 -0.084 0.000 0.972 1172 Y HN 0.750 nan 8.280 nan 0.000 0.504 1173 S N -1.116 114.487 115.700 -0.162 0.000 2.478 1173 S HA 0.171 4.641 4.470 0.000 0.000 0.222 1173 S C 1.799 176.335 174.600 -0.108 0.000 1.008 1173 S CA 0.501 58.571 58.200 -0.217 0.000 0.928 1173 S CB -0.330 62.849 63.200 -0.034 0.000 0.781 1173 S HN 0.972 nan 8.310 nan 0.000 0.518 1174 G N 2.153 110.936 108.800 -0.029 0.000 2.168 1174 G HA2 -0.333 3.627 3.960 0.000 0.000 0.257 1174 G HA3 -0.333 3.627 3.960 0.000 0.000 0.257 1174 G C 0.014 175.006 174.900 0.153 0.000 0.997 1174 G CA 0.564 45.702 45.100 0.065 0.000 0.708 1174 G HN 1.029 nan 8.290 nan 0.000 0.520 1175 R N -1.508 119.048 120.500 0.094 0.000 2.778 1175 R HA 0.818 5.158 4.340 0.000 0.000 0.277 1175 R C -1.056 175.278 176.300 0.057 0.000 0.977 1175 R CA -1.037 55.140 56.100 0.128 0.000 0.950 1175 R CB 2.242 32.589 30.300 0.078 0.000 1.165 1175 R HN 0.238 nan 8.270 nan 0.000 0.474 1176 V N 2.872 122.835 119.914 0.081 0.000 2.531 1176 V HA 0.243 4.363 4.120 0.000 0.000 0.301 1176 V C -0.037 176.118 176.094 0.101 0.000 1.034 1176 V CA -1.041 61.259 62.300 -0.000 0.000 0.865 1176 V CB 1.765 33.468 31.823 -0.200 0.000 0.995 1176 V HN 0.703 nan 8.190 nan 0.000 0.424 1177 V N 5.937 125.926 119.914 0.124 0.000 3.032 1177 V HA 0.033 4.153 4.120 0.000 0.000 0.307 1177 V C 1.885 178.043 176.094 0.107 0.000 1.097 1177 V CA 0.813 63.187 62.300 0.123 0.000 1.191 1177 V CB 0.883 32.794 31.823 0.146 0.000 0.964 1177 V HN 0.982 nan 8.190 nan 0.000 0.494 1178 R N 3.573 124.106 120.500 0.056 0.000 2.134 1178 R HA -0.240 4.100 4.340 0.000 0.000 0.248 1178 R C 2.299 178.579 176.300 -0.033 0.000 1.143 1178 R CA 2.605 58.717 56.100 0.020 0.000 0.957 1178 R CB -0.380 29.921 30.300 0.001 0.000 0.867 1178 R HN 0.834 nan 8.270 nan 0.000 0.441 1179 R N -0.720 119.716 120.500 -0.106 0.000 2.133 1179 R HA -0.182 4.158 4.340 0.000 0.000 0.247 1179 R C 1.373 177.413 176.300 -0.433 0.000 1.151 1179 R CA 2.121 58.029 56.100 -0.320 0.000 0.971 1179 R CB -0.199 29.800 30.300 -0.503 0.000 0.866 1179 R HN 0.337 nan 8.270 nan 0.000 0.447 1180 F N 0.017 119.986 119.950 0.031 0.000 2.704 1180 F HA 0.274 4.801 4.527 0.000 0.000 0.304 1180 F C 0.410 176.216 175.800 0.009 0.000 1.094 1180 F CA -0.485 57.534 58.000 0.031 0.000 1.275 1180 F CB 0.469 39.488 39.000 0.032 0.000 1.073 1180 F HN -0.275 nan 8.300 nan 0.000 0.586 1181 K N 0.848 121.339 120.400 0.152 0.000 2.472 1181 K HA 0.196 4.516 4.320 0.000 0.000 0.280 1181 K C 1.173 177.821 176.600 0.081 0.000 1.028 1181 K CA 0.926 57.302 56.287 0.149 0.000 1.045 1181 K CB 0.188 32.762 32.500 0.124 0.000 0.902 1181 K HN 0.374 nan 8.250 nan 0.000 0.478 1182 G N 1.855 110.719 108.800 0.106 0.000 2.168 1182 G HA2 -0.352 3.608 3.960 0.000 0.000 0.263 1182 G HA3 -0.352 3.608 3.960 0.000 0.000 0.263 1182 G C 0.927 175.792 174.900 -0.058 0.000 0.977 1182 G CA 0.881 45.998 45.100 0.027 0.000 0.659 1182 G HN 0.693 nan 8.290 nan 0.000 0.533 1183 S N -0.725 114.949 115.700 -0.042 0.000 2.406 1183 S HA 0.084 4.554 4.470 0.000 0.000 0.228 1183 S C 2.250 176.663 174.600 -0.310 0.000 1.020 1183 S CA 1.546 59.588 58.200 -0.262 0.000 0.965 1183 S CB -0.251 62.962 63.200 0.021 0.000 0.798 1183 S HN 0.644 nan 8.310 nan 0.000 0.488 1184 M N 1.552 121.197 119.600 0.076 0.000 2.117 1184 M HA -0.110 4.371 4.480 0.000 0.000 0.262 1184 M C 2.375 178.715 176.300 0.067 0.000 1.065 1184 M CA 2.054 57.486 55.300 0.220 0.000 1.114 1184 M CB -0.254 32.521 32.600 0.291 0.000 1.361 1184 M HN 0.517 nan 8.290 nan 0.000 0.408 1185 E N 0.002 120.206 120.200 0.006 0.000 2.110 1185 E HA -0.234 4.116 4.350 0.000 0.000 0.193 1185 E C 1.642 178.203 176.600 -0.065 0.000 0.988 1185 E CA 1.571 57.964 56.400 -0.012 0.000 0.804 1185 E CB 0.007 29.700 29.700 -0.012 0.000 0.745 1185 E HN 0.637 nan 8.360 nan 0.000 0.458 1186 E N -0.225 119.858 120.200 -0.194 0.000 2.031 1186 E HA -0.195 4.156 4.350 0.000 0.000 0.193 1186 E C 1.818 178.334 176.600 -0.139 0.000 0.994 1186 E CA 1.616 57.853 56.400 -0.272 0.000 0.800 1186 E CB -0.253 29.123 29.700 -0.540 0.000 0.752 1186 E HN 0.464 nan 8.360 nan 0.000 0.447 1187 W N 1.270 122.578 121.300 0.014 0.000 2.363 1187 W HA -0.180 4.480 4.660 0.000 0.000 0.296 1187 W C 2.490 178.979 176.519 -0.050 0.000 1.212 1187 W CA 0.255 57.580 57.345 -0.033 0.000 1.260 1187 W CB -0.183 29.220 29.460 -0.096 0.000 1.131 1187 W HN 0.120 nan 8.180 nan 0.000 0.530 1188 Q N 0.490 120.383 119.800 0.156 0.000 2.061 1188 Q HA -0.215 4.125 4.340 0.000 0.000 0.204 1188 Q C 2.517 178.558 176.000 0.069 0.000 0.984 1188 Q CA 1.956 57.807 55.803 0.081 0.000 0.846 1188 Q CB -0.668 28.102 28.738 0.054 0.000 0.902 1188 Q HN 0.336 nan 8.270 nan 0.000 0.421 1189 A N 0.439 123.290 122.820 0.052 0.000 2.019 1189 A HA -0.133 4.188 4.320 0.000 0.000 0.219 1189 A C 1.832 179.450 177.584 0.056 0.000 1.164 1189 A CA 1.225 53.284 52.037 0.038 0.000 0.644 1189 A CB -0.357 18.650 19.000 0.011 0.000 0.805 1189 A HN 0.322 nan 8.150 nan 0.000 0.449 1190 M N -1.228 118.428 119.600 0.094 0.000 2.561 1190 M HA 0.183 4.663 4.480 0.000 0.000 0.238 1190 M C 1.294 177.649 176.300 0.091 0.000 1.131 1190 M CA 0.712 56.078 55.300 0.109 0.000 1.046 1190 M CB 0.220 32.933 32.600 0.189 0.000 1.532 1190 M HN 0.598 nan 8.290 nan 0.000 0.497 1191 G N 0.679 109.527 108.800 0.079 0.000 2.159 1191 G HA2 -0.208 3.752 3.960 0.000 0.000 0.256 1191 G HA3 -0.208 3.752 3.960 0.000 0.000 0.256 1191 G C 0.086 175.010 174.900 0.039 0.000 0.977 1191 G CA -0.180 44.957 45.100 0.061 0.000 0.652 1191 G HN 0.320 nan 8.290 nan 0.000 0.531 1192 V N 1.639 121.574 119.914 0.036 0.000 2.599 1192 V HA 0.177 4.297 4.120 0.000 0.000 0.300 1192 V C 1.865 177.909 176.094 -0.084 0.000 1.034 1192 V CA 1.128 63.402 62.300 -0.044 0.000 1.115 1192 V CB 1.208 32.981 31.823 -0.083 0.000 0.934 1192 V HN 0.398 nan 8.190 nan 0.000 0.485 1193 M N 3.159 122.692 119.600 -0.110 0.000 2.287 1193 M HA 0.087 4.567 4.480 0.000 0.000 0.266 1193 M C 0.673 176.873 176.300 -0.167 0.000 1.079 1193 M CA 1.084 56.307 55.300 -0.129 0.000 1.146 1193 M CB 0.031 32.573 32.600 -0.097 0.000 1.374 1193 M HN 0.978 nan 8.290 nan 0.000 0.435 1194 N N -1.911 116.667 118.700 -0.202 0.000 3.185 1194 N HA 0.145 4.885 4.740 0.000 0.000 0.238 1194 N C -1.989 173.360 175.510 -0.268 0.000 1.451 1194 N CA -0.662 52.274 53.050 -0.190 0.000 0.888 1194 N CB 1.119 39.549 38.487 -0.094 0.000 1.413 1194 N HN -0.107 nan 8.380 nan 0.000 0.511 1195 Y N -0.241 120.001 120.300 -0.097 0.000 2.409 1195 Y HA 0.506 5.057 4.550 0.001 0.000 0.339 1195 Y C 0.369 176.207 175.900 -0.104 0.000 1.033 1195 Y CA -0.086 57.940 58.100 -0.123 0.000 1.094 1195 Y CB 1.602 39.968 38.460 -0.156 0.000 1.210 1195 Y HN 0.807 nan 8.280 nan 0.000 0.456 1196 E N -0.126 120.127 120.200 0.089 0.000 2.368 1196 E HA 0.521 4.871 4.350 0.000 0.000 0.257 1196 E C -1.086 175.528 176.600 0.024 0.000 1.022 1196 E CA -0.744 55.681 56.400 0.043 0.000 0.886 1196 E CB 1.124 30.839 29.700 0.025 0.000 1.740 1196 E HN 0.455 nan 8.360 nan 0.000 0.456 1197 M N -0.564 119.047 119.600 0.018 0.000 2.410 1197 M HA 0.348 4.828 4.480 0.000 0.000 0.376 1197 M C -0.214 176.089 176.300 0.004 0.000 1.051 1197 M CA 0.189 55.495 55.300 0.009 0.000 0.949 1197 M CB 0.739 33.350 32.600 0.020 0.000 1.577 1197 M HN 0.498 nan 8.290 nan 0.000 0.560 1198 E N -0.645 119.555 120.200 0.001 0.000 2.535 1198 E HA 0.072 4.422 4.350 0.000 0.000 0.216 1198 E C 1.816 178.405 176.600 -0.018 0.000 0.845 1198 E CA 0.615 57.012 56.400 -0.006 0.000 1.306 1198 E CB 0.405 30.105 29.700 -0.000 0.000 1.291 1198 E HN 0.307 nan 8.360 nan 0.000 0.635 1199 S N 0.831 116.521 115.700 -0.016 0.000 2.383 1199 S HA -0.059 4.411 4.470 0.000 0.000 0.227 1199 S C 2.233 176.818 174.600 -0.025 0.000 1.026 1199 S CA 0.892 59.079 58.200 -0.022 0.000 0.981 1199 S CB -0.269 62.920 63.200 -0.018 0.000 0.818 1199 S HN 0.219 nan 8.310 nan 0.000 0.472 1200 A N 1.915 124.723 122.820 -0.019 0.000 1.892 1200 A HA -0.084 4.236 4.320 0.000 0.000 0.218 1200 A C 2.454 180.033 177.584 -0.008 0.000 1.188 1200 A CA 2.333 54.366 52.037 -0.005 0.000 0.631 1200 A CB -1.759 17.243 19.000 0.004 0.000 0.822 1200 A HN 0.583 nan 8.150 nan 0.000 0.447 1201 T N -0.112 114.429 114.554 -0.022 0.000 2.701 1201 T HA -0.105 4.246 4.350 0.000 0.000 0.263 1201 T C 1.874 176.485 174.700 -0.148 0.000 1.040 1201 T CA 1.414 63.484 62.100 -0.049 0.000 1.147 1201 T CB -0.449 68.401 68.868 -0.031 0.000 0.865 1201 T HN 0.338 nan 8.240 nan 0.000 0.426 1202 L N 1.188 122.332 121.223 -0.132 0.000 1.990 1202 L HA -0.064 4.276 4.340 0.000 0.000 0.213 1202 L C 2.193 178.961 176.870 -0.170 0.000 1.072 1202 L CA 1.785 56.515 54.840 -0.182 0.000 0.755 1202 L CB -0.768 41.222 42.059 -0.114 0.000 0.889 1202 L HN 0.253 nan 8.230 nan 0.000 0.432 1203 L N -1.470 119.704 121.223 -0.082 0.000 2.056 1203 L HA -0.166 4.174 4.340 0.000 0.000 0.207 1203 L C 2.350 179.214 176.870 -0.009 0.000 1.078 1203 L CA 1.601 56.423 54.840 -0.029 0.000 0.749 1203 L CB -1.124 40.940 42.059 0.009 0.000 0.901 1203 L HN 0.313 nan 8.230 nan 0.000 0.433 1204 T N 0.725 115.269 114.554 -0.016 0.000 2.737 1204 T HA -0.213 4.138 4.350 0.000 0.000 0.265 1204 T C 1.865 176.464 174.700 -0.167 0.000 1.038 1204 T CA 1.917 64.026 62.100 0.014 0.000 1.144 1204 T CB -0.250 68.649 68.868 0.052 0.000 0.866 1204 T HN 0.440 nan 8.240 nan 0.000 0.434 1205 M N 0.202 119.567 119.600 -0.392 0.000 2.229 1205 M HA 0.000 4.480 4.480 0.000 0.000 0.264 1205 M C 2.207 178.243 176.300 -0.439 0.000 1.063 1205 M CA 1.427 56.263 55.300 -0.773 0.000 1.114 1205 M CB -1.054 30.616 32.600 -1.549 0.000 1.387 1205 M HN 0.178 nan 8.290 nan 0.000 0.420 1206 C N 1.338 120.467 119.300 -0.284 0.000 2.500 1206 C HA 0.188 4.649 4.460 0.000 0.000 0.279 1206 C C 3.285 178.260 174.990 -0.024 0.000 1.288 1206 C CA 0.948 59.881 59.018 -0.143 0.000 1.710 1206 C CB -1.101 26.582 27.740 -0.094 0.000 2.052 1206 C HN 0.758 nan 8.230 nan 0.000 0.488 1207 A N 1.081 123.926 122.820 0.040 0.000 2.019 1207 A HA -0.136 4.184 4.320 0.000 0.000 0.219 1207 A C 2.122 179.824 177.584 0.196 0.000 1.164 1207 A CA 2.155 54.296 52.037 0.174 0.000 0.644 1207 A CB -0.593 18.596 19.000 0.314 0.000 0.805 1207 A HN 0.721 nan 8.150 nan 0.000 0.449 1208 S N -2.018 113.669 115.700 -0.022 0.000 2.577 1208 S HA 0.194 4.665 4.470 0.000 0.000 0.219 1208 S C 0.862 175.425 174.600 -0.062 0.000 0.962 1208 S CA 0.202 58.295 58.200 -0.180 0.000 0.921 1208 S CB 0.104 62.954 63.200 -0.583 0.000 0.789 1208 S HN 0.630 nan 8.310 nan 0.000 0.497 1209 Q N 0.216 120.003 119.800 -0.021 0.000 2.057 1209 Q HA 0.336 4.676 4.340 0.000 0.000 0.216 1209 Q C 0.597 176.617 176.000 0.033 0.000 0.788 1209 Q CA 0.057 55.863 55.803 0.005 0.000 1.053 1209 Q CB 1.114 29.844 28.738 -0.013 0.000 1.210 1209 Q HN 0.624 nan 8.270 nan 0.000 0.455 1210 G N 1.465 110.295 108.800 0.050 0.000 2.160 1210 G HA2 -0.268 3.692 3.960 0.000 0.000 0.251 1210 G HA3 -0.268 3.692 3.960 0.000 0.000 0.251 1210 G C -0.114 174.831 174.900 0.075 0.000 1.008 1210 G CA 0.192 45.330 45.100 0.063 0.000 0.724 1210 G HN 0.259 nan 8.290 nan 0.000 0.514 1211 L N -0.506 120.767 121.223 0.082 0.000 2.331 1211 L HA 0.649 4.989 4.340 0.000 0.000 0.275 1211 L C 0.909 177.860 176.870 0.136 0.000 1.022 1211 L CA -1.167 53.755 54.840 0.137 0.000 0.812 1211 L CB 1.417 43.583 42.059 0.178 0.000 1.257 1211 L HN 0.060 nan 8.230 nan 0.000 0.435 1212 R N 1.729 122.325 120.500 0.160 0.000 2.297 1212 R HA 0.750 5.090 4.340 0.000 0.000 0.308 1212 R C -0.723 175.685 176.300 0.179 0.000 1.029 1212 R CA -0.487 55.692 56.100 0.131 0.000 0.929 1212 R CB 1.591 31.942 30.300 0.085 0.000 1.046 1212 R HN 0.698 nan 8.270 nan 0.000 0.461 1213 A N 1.521 124.416 122.820 0.126 0.000 2.449 1213 A HA 0.796 5.117 4.320 0.000 0.000 0.302 1213 A C -0.680 176.946 177.584 0.070 0.000 1.048 1213 A CA -0.638 51.472 52.037 0.122 0.000 0.708 1213 A CB 2.157 21.200 19.000 0.071 0.000 1.274 1213 A HN 0.770 nan 8.150 nan 0.000 0.410 1214 G N -0.247 108.590 108.800 0.062 0.000 2.658 1214 G HA2 0.706 4.666 3.960 0.000 0.000 0.292 1214 G HA3 0.706 4.666 3.960 0.000 0.000 0.292 1214 G C -1.087 173.830 174.900 0.028 0.000 1.320 1214 G CA -0.520 44.598 45.100 0.030 0.000 0.933 1214 G HN 1.298 nan 8.290 nan 0.000 0.476 1215 M N 1.240 120.848 119.600 0.014 0.000 2.271 1215 M HA 0.698 5.178 4.480 0.000 0.000 0.285 1215 M C -1.926 174.378 176.300 0.006 0.000 1.059 1215 M CA -0.684 54.623 55.300 0.012 0.000 0.940 1215 M CB 2.187 34.791 32.600 0.007 0.000 1.636 1215 M HN 0.733 nan 8.290 nan 0.000 0.460 1216 V N 4.097 124.015 119.914 0.008 0.000 2.876 1216 V HA 1.054 5.174 4.120 0.000 0.000 0.312 1216 V C -1.595 174.507 176.094 0.013 0.000 1.085 1216 V CA 0.146 62.450 62.300 0.008 0.000 0.945 1216 V CB 2.005 33.829 31.823 0.002 0.000 1.017 1216 V HN 1.211 nan 8.190 nan 0.000 0.428 1217 A N 3.627 126.458 122.820 0.018 0.000 2.572 1217 A HA 0.909 5.229 4.320 0.000 0.000 0.295 1217 A C -0.249 177.354 177.584 0.031 0.000 1.072 1217 A CA -0.160 51.889 52.037 0.021 0.000 0.691 1217 A CB 1.823 20.832 19.000 0.016 0.000 1.291 1217 A HN 1.612 nan 8.150 nan 0.000 0.404 1218 G N -0.088 108.731 108.800 0.032 0.000 2.348 1218 G HA2 0.524 4.484 3.960 0.000 0.000 0.312 1218 G HA3 0.524 4.484 3.960 0.000 0.000 0.312 1218 G C -0.622 174.293 174.900 0.026 0.000 1.126 1218 G CA -0.340 44.783 45.100 0.039 0.000 0.865 1218 G HN 0.902 nan 8.290 nan 0.000 0.474 1219 V N 3.899 123.827 119.914 0.023 0.000 2.389 1219 V HA 0.137 4.257 4.120 0.000 0.000 0.264 1219 V C 1.256 177.352 176.094 0.003 0.000 1.049 1219 V CA -0.133 62.172 62.300 0.008 0.000 0.932 1219 V CB 0.674 32.497 31.823 0.000 0.000 1.011 1219 V HN 0.766 nan 8.190 nan 0.000 0.475 1220 I N 3.262 123.835 120.570 0.006 0.000 4.082 1220 I HA 0.563 4.733 4.170 0.000 0.000 0.337 1220 I C 0.119 176.241 176.117 0.007 0.000 1.352 1220 I CA 0.195 61.499 61.300 0.006 0.000 1.097 1220 I CB 1.033 39.040 38.000 0.012 0.000 1.048 1220 I HN 0.428 nan 8.210 nan 0.000 0.393 1221 V N 0.993 120.910 119.914 0.005 0.000 3.236 1221 V HA 0.436 4.557 4.120 0.000 0.000 0.287 1221 V C -1.999 174.092 176.094 -0.005 0.000 1.491 1221 V CA -0.629 61.674 62.300 0.005 0.000 1.037 1221 V CB 2.379 34.213 31.823 0.018 0.000 1.160 1221 V HN 0.384 nan 8.190 nan 0.000 0.453 1222 N N 3.641 122.338 118.700 -0.006 0.000 2.399 1222 N HA 0.436 5.176 4.740 0.000 0.000 0.284 1222 N C 0.576 176.087 175.510 0.001 0.000 1.025 1222 N CA -0.621 52.420 53.050 -0.014 0.000 0.885 1222 N CB 2.084 40.555 38.487 -0.027 0.000 1.339 1222 N HN 0.634 nan 8.380 nan 0.000 0.487 1223 R N 0.791 121.296 120.500 0.008 0.000 2.241 1223 R HA -0.061 4.279 4.340 0.000 0.000 0.224 1223 R C 1.353 177.670 176.300 0.027 0.000 1.101 1223 R CA 1.403 57.518 56.100 0.026 0.000 0.995 1223 R CB -0.559 29.773 30.300 0.053 0.000 0.870 1223 R HN 0.718 nan 8.270 nan 0.000 0.463 1224 T N -3.160 111.403 114.554 0.015 0.000 3.065 1224 T HA 0.096 4.446 4.350 0.000 0.000 0.252 1224 T C 0.825 175.534 174.700 0.014 0.000 1.099 1224 T CA -0.041 62.069 62.100 0.017 0.000 1.063 1224 T CB 0.404 69.278 68.868 0.011 0.000 0.948 1224 T HN 0.108 nan 8.240 nan 0.000 0.506 1225 Q N 0.580 120.386 119.800 0.009 0.000 2.205 1225 Q HA 0.412 4.752 4.340 0.000 0.000 0.249 1225 Q C 0.827 176.835 176.000 0.013 0.000 0.948 1225 Q CA -0.606 55.203 55.803 0.009 0.000 0.895 1225 Q CB 1.582 30.322 28.738 0.004 0.000 1.249 1225 Q HN 0.330 nan 8.270 nan 0.000 0.458 1226 Q N 0.344 120.152 119.800 0.013 0.000 2.212 1226 Q HA -0.010 4.331 4.340 0.000 0.000 0.199 1226 Q C -0.338 175.671 176.000 0.015 0.000 0.950 1226 Q CA 0.776 56.588 55.803 0.015 0.000 0.863 1226 Q CB 0.441 29.187 28.738 0.013 0.000 0.944 1226 Q HN 0.522 nan 8.270 nan 0.000 0.465 1227 E N 1.139 121.346 120.200 0.012 0.000 2.227 1227 E HA 0.350 4.701 4.350 0.000 0.000 0.282 1227 E C -0.816 175.790 176.600 0.011 0.000 1.015 1227 E CA -0.212 56.195 56.400 0.011 0.000 0.823 1227 E CB 1.410 31.115 29.700 0.008 0.000 1.081 1227 E HN 0.120 nan 8.360 nan 0.000 0.396 1228 I N 4.760 125.338 120.570 0.013 0.000 2.389 1228 I HA 0.257 4.427 4.170 0.000 0.000 0.288 1228 I C -1.859 174.264 176.117 0.010 0.000 0.999 1228 I CA -2.337 58.971 61.300 0.014 0.000 1.129 1228 I CB 1.246 39.259 38.000 0.021 0.000 1.288 1228 I HN 0.320 nan 8.210 nan 0.000 0.444 1229 P HA -0.025 nan 4.420 nan 0.000 0.267 1229 P C -0.532 176.771 177.300 0.004 0.000 1.195 1229 P CA -0.122 62.979 63.100 0.003 0.000 0.773 1229 P CB 0.215 31.915 31.700 -0.000 0.000 0.837 1230 N N 0.967 119.668 118.700 0.002 0.000 2.267 1230 N HA -0.043 4.697 4.740 0.000 0.000 0.266 1230 N C 1.366 176.877 175.510 0.003 0.000 1.295 1230 N CA 0.394 53.445 53.050 0.003 0.000 0.914 1230 N CB -1.005 37.482 38.487 0.001 0.000 1.083 1230 N HN 0.410 nan 8.380 nan 0.000 0.507 1231 A N -0.553 122.268 122.820 0.002 0.000 1.954 1231 A HA -0.276 4.045 4.320 0.000 0.000 0.222 1231 A C 1.037 178.621 177.584 -0.001 0.000 1.199 1231 A CA 2.318 54.355 52.037 0.001 0.000 0.657 1231 A CB -1.344 17.655 19.000 -0.001 0.000 0.823 1231 A HN 0.876 nan 8.150 nan 0.000 0.463 1232 E N 0.335 120.534 120.200 -0.002 0.000 2.280 1232 E HA 0.286 4.636 4.350 0.000 0.000 0.279 1232 E C 0.744 177.342 176.600 -0.003 0.000 1.325 1232 E CA 0.295 56.693 56.400 -0.003 0.000 1.486 1232 E CB -0.439 29.258 29.700 -0.005 0.000 1.466 1232 E HN 0.496 nan 8.360 nan 0.000 0.473 1233 T N -0.595 113.959 114.554 0.000 0.000 2.720 1233 T HA -0.277 4.074 4.350 0.000 0.000 0.268 1233 T C 1.657 176.357 174.700 -0.000 0.000 1.037 1233 T CA 1.214 63.315 62.100 0.002 0.000 1.144 1233 T CB -0.153 68.720 68.868 0.009 0.000 0.864 1233 T HN 0.322 nan 8.240 nan 0.000 0.444 1234 M N 0.507 120.107 119.600 0.001 0.000 2.095 1234 M HA 0.081 4.561 4.480 0.000 0.000 0.257 1234 M C 2.301 178.601 176.300 0.000 0.000 1.089 1234 M CA 1.091 56.392 55.300 0.002 0.000 1.138 1234 M CB -0.071 32.530 32.600 0.002 0.000 1.303 1234 M HN -0.025 nan 8.290 nan 0.000 0.422 1235 K N 0.626 121.025 120.400 -0.002 0.000 2.113 1235 K HA -0.338 3.982 4.320 0.000 0.000 0.224 1235 K C 1.700 178.303 176.600 0.005 0.000 0.975 1235 K CA 2.248 58.534 56.287 -0.001 0.000 0.973 1235 K CB -1.494 31.004 32.500 -0.005 0.000 0.867 1235 K HN 0.561 nan 8.250 nan 0.000 0.470 1236 Q N -0.282 119.518 119.800 -0.001 0.000 2.119 1236 Q HA -0.057 4.283 4.340 0.000 0.000 0.201 1236 Q C 2.168 178.170 176.000 0.004 0.000 0.972 1236 Q CA 1.726 57.530 55.803 0.001 0.000 0.847 1236 Q CB -0.064 28.660 28.738 -0.023 0.000 0.903 1236 Q HN 0.492 nan 8.270 nan 0.000 0.433 1237 T N 0.717 115.263 114.554 -0.012 0.000 2.770 1237 T HA -0.166 4.184 4.350 0.000 0.000 0.263 1237 T C 1.622 176.355 174.700 0.054 0.000 1.039 1237 T CA 1.227 63.326 62.100 -0.001 0.000 1.142 1237 T CB -0.200 68.661 68.868 -0.013 0.000 0.868 1237 T HN 0.380 nan 8.240 nan 0.000 0.435 1238 E N 1.113 121.332 120.200 0.032 0.000 2.065 1238 E HA -0.199 4.151 4.350 0.000 0.000 0.201 1238 E C 2.279 178.903 176.600 0.040 0.000 1.016 1238 E CA 1.611 58.028 56.400 0.028 0.000 0.818 1238 E CB -0.185 29.521 29.700 0.010 0.000 0.749 1238 E HN 0.332 nan 8.360 nan 0.000 0.453 1239 S N -0.485 115.243 115.700 0.045 0.000 2.383 1239 S HA -0.200 4.270 4.470 0.000 0.000 0.229 1239 S C 1.688 176.331 174.600 0.073 0.000 1.030 1239 S CA 1.453 59.680 58.200 0.045 0.000 1.002 1239 S CB -0.474 62.755 63.200 0.048 0.000 0.829 1239 S HN 0.409 nan 8.310 nan 0.000 0.467 1240 H N 1.337 120.398 119.070 -0.015 0.000 2.293 1240 H HA 0.079 4.635 4.556 0.000 0.000 0.300 1240 H C 2.256 177.575 175.328 -0.015 0.000 1.082 1240 H CA 1.595 57.635 56.048 -0.014 0.000 1.308 1240 H CB -0.568 29.188 29.762 -0.010 0.000 1.375 1240 H HN 0.356 nan 8.280 nan 0.000 0.495 1241 A N -0.259 122.622 122.820 0.101 0.000 1.933 1241 A HA -0.122 4.198 4.320 0.000 0.000 0.218 1241 A C 2.642 180.224 177.584 -0.003 0.000 1.175 1241 A CA 1.655 53.714 52.037 0.037 0.000 0.628 1241 A CB -0.807 18.218 19.000 0.041 0.000 0.814 1241 A HN 0.287 nan 8.150 nan 0.000 0.444 1242 V N 0.240 120.151 119.914 -0.004 0.000 2.358 1242 V HA -0.252 3.869 4.120 0.000 0.000 0.246 1242 V C 2.537 178.605 176.094 -0.042 0.000 1.047 1242 V CA 2.408 64.694 62.300 -0.023 0.000 1.035 1242 V CB -0.666 31.141 31.823 -0.026 0.000 0.658 1242 V HN 0.700 nan 8.190 nan 0.000 0.452 1243 K N 0.497 120.862 120.400 -0.057 0.000 2.103 1243 K HA -0.140 4.180 4.320 0.000 0.000 0.207 1243 K C 1.856 178.404 176.600 -0.086 0.000 1.048 1243 K CA 1.742 57.980 56.287 -0.081 0.000 0.930 1243 K CB -0.392 32.036 32.500 -0.120 0.000 0.716 1243 K HN 0.454 nan 8.250 nan 0.000 0.444 1244 I N -0.279 120.237 120.570 -0.091 0.000 2.252 1244 I HA -0.208 3.962 4.170 0.000 0.000 0.245 1244 I C 2.177 178.262 176.117 -0.052 0.000 1.102 1244 I CA 0.751 62.004 61.300 -0.078 0.000 1.385 1244 I CB -0.155 37.803 38.000 -0.071 0.000 1.064 1244 I HN 0.058 nan 8.210 nan 0.000 0.414 1245 V N 0.282 120.173 119.914 -0.039 0.000 2.515 1245 V HA -0.186 3.934 4.120 0.000 0.000 0.250 1245 V C 2.321 178.396 176.094 -0.032 0.000 1.058 1245 V CA 1.583 63.867 62.300 -0.028 0.000 1.064 1245 V CB 0.185 31.998 31.823 -0.016 0.000 0.675 1245 V HN 0.205 nan 8.190 nan 0.000 0.461 1246 V N 0.116 120.007 119.914 -0.037 0.000 2.307 1246 V HA -0.189 3.931 4.120 0.000 0.000 0.245 1246 V C 2.512 178.583 176.094 -0.039 0.000 1.045 1246 V CA 2.226 64.504 62.300 -0.037 0.000 1.024 1246 V CB -0.627 31.172 31.823 -0.040 0.000 0.651 1246 V HN 0.686 nan 8.190 nan 0.000 0.449 1247 E N 0.911 121.083 120.200 -0.046 0.000 2.110 1247 E HA -0.178 4.172 4.350 0.000 0.000 0.193 1247 E C 2.067 178.640 176.600 -0.044 0.000 0.988 1247 E CA 1.671 58.043 56.400 -0.047 0.000 0.804 1247 E CB -0.422 29.243 29.700 -0.057 0.000 0.745 1247 E HN 0.515 nan 8.360 nan 0.000 0.458 1248 A N 0.801 123.594 122.820 -0.045 0.000 1.898 1248 A HA 0.010 4.330 4.320 0.000 0.000 0.216 1248 A C 2.470 180.029 177.584 -0.040 0.000 1.181 1248 A CA 1.869 53.879 52.037 -0.045 0.000 0.620 1248 A CB -1.054 17.919 19.000 -0.044 0.000 0.819 1248 A HN 0.394 nan 8.150 nan 0.000 0.442 1249 A N 0.137 122.936 122.820 -0.036 0.000 1.948 1249 A HA -0.233 4.087 4.320 0.000 0.000 0.220 1249 A C 2.184 179.748 177.584 -0.034 0.000 1.177 1249 A CA 1.700 53.717 52.037 -0.035 0.000 0.636 1249 A CB -0.543 18.438 19.000 -0.032 0.000 0.815 1249 A HN 0.586 nan 8.150 nan 0.000 0.449 1250 R N -0.774 119.707 120.500 -0.032 0.000 2.117 1250 R HA -0.146 4.194 4.340 0.000 0.000 0.243 1250 R C 2.061 178.344 176.300 -0.028 0.000 1.143 1250 R CA 1.734 57.817 56.100 -0.029 0.000 0.968 1250 R CB -0.275 30.008 30.300 -0.028 0.000 0.863 1250 R HN 0.507 nan 8.270 nan 0.000 0.444 1251 R N 0.112 120.593 120.500 -0.033 0.000 2.299 1251 R HA 0.093 4.433 4.340 0.000 0.000 0.197 1251 R C 1.221 177.503 176.300 -0.030 0.000 0.971 1251 R CA 0.444 56.525 56.100 -0.032 0.000 1.030 1251 R CB 0.277 30.553 30.300 -0.040 0.000 0.932 1251 R HN 0.178 nan 8.270 nan 0.000 0.477 1252 L N 0.279 121.483 121.223 -0.031 0.000 2.808 1252 L HA 0.260 4.600 4.340 0.000 0.000 0.246 1252 L C 0.167 177.020 176.870 -0.028 0.000 1.153 1252 L CA -0.197 54.625 54.840 -0.030 0.000 0.956 1252 L CB 0.271 42.309 42.059 -0.034 0.000 1.270 1252 L HN 0.033 nan 8.230 nan 0.000 0.528 1253 L N 0.000 121.207 121.223 -0.027 0.000 2.949 1253 L HA 0.000 4.340 4.340 0.000 0.000 0.249 1253 L CA 0.000 54.824 54.840 -0.026 0.000 0.813 1253 L CB 0.000 42.045 42.059 -0.024 0.000 0.961 1253 L HN 0.000 nan 8.230 nan 0.000 0.502