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 2bru_1_A DATA FIRST_RESID 1000 DATA SEQUENCE HGRIGIPRER LTNETRVAAT PKTVEQLLKL GFTVAVESGA GQLASFDDKA DATA SEQUENCE FVQAGAEIVE GNSVWQSEII LKVNAPLDDE IALLNPGTTL VSFIWPAQNP DATA SEQUENCE ELMQKLAERN VTVMAMDSVP RISRAQSLDA LSSMANIAGY RAIVEAAHEF DATA SEQUENCE GRFFTGQITA AGKVPPAKVM VIGAGVAGLA AIGAANSLGA IVRAFDTRPE DATA SEQUENCE VKEQVQSMGA EFLELDFXXX XXXXDGYAKV MSDAFIKAEM ELFAAQAKEV DATA SEQUENCE DIIVTTALIP GKPAPKLITR EMVDSMKAGS VIVDLAAQNG GNCEYTVPGE DATA SEQUENCE IFTTENGVKV IGYTDLPGRL PTQSSQLYGT NLVNLLKLLC KEKDGNITVD DATA SEQUENCE FDDVVIRGVT VIRAGEITWP APPI 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 1000 H HA 0.000 nan 4.556 nan 0.000 0.296 1000 H C 0.000 175.366 175.328 0.063 0.000 0.993 1000 H CA 0.000 56.071 56.048 0.039 0.000 1.023 1000 H CB 0.000 29.779 29.762 0.028 0.000 1.292 1001 G N 2.815 111.512 108.800 -0.172 0.000 2.690 1001 G HA2 -0.114 nan 3.960 nan 0.000 0.294 1001 G HA3 -0.114 nan 3.960 nan 0.000 0.294 1001 G C -1.967 173.018 174.900 0.143 0.000 0.793 1001 G CA -0.115 45.016 45.100 0.053 0.000 1.818 1001 G HN 0.507 8.480 8.290 -0.530 0.000 0.515 1002 R N 5.097 125.659 120.500 0.105 0.000 2.494 1002 R HA 0.770 nan 4.340 nan 0.000 0.305 1002 R C -1.542 174.728 176.300 -0.050 0.000 0.959 1002 R CA -1.664 54.484 56.100 0.079 0.000 0.864 1002 R CB 3.562 33.916 30.300 0.090 0.000 1.159 1002 R HN 0.045 8.337 8.270 0.074 0.022 0.446 1003 I N 6.511 127.020 120.570 -0.103 0.000 2.395 1003 I HA 0.326 nan 4.170 nan 0.000 0.289 1003 I C -1.277 174.745 176.117 -0.158 0.000 1.023 1003 I CA -0.505 60.679 61.300 -0.192 0.000 1.350 1003 I CB 1.216 39.079 38.000 -0.229 0.000 1.409 1003 I HN 0.755 8.939 8.210 -0.043 0.000 0.507 1004 G N 6.896 115.586 108.800 -0.184 0.000 2.370 1004 G HA2 0.644 nan 3.960 nan 0.000 0.317 1004 G HA3 0.644 nan 3.960 nan 0.000 0.317 1004 G C -2.021 172.724 174.900 -0.259 0.000 1.162 1004 G CA -1.329 43.634 45.100 -0.227 0.000 0.922 1004 G HN 0.928 8.998 8.290 -0.188 0.107 0.454 1005 I N 4.180 124.583 120.570 -0.279 0.000 2.337 1005 I HA 0.416 nan 4.170 nan 0.000 0.285 1005 I C -1.896 174.032 176.117 -0.315 0.000 1.041 1005 I CA -4.911 56.228 61.300 -0.269 0.000 1.199 1005 I CB 0.827 38.659 38.000 -0.280 0.000 1.370 1005 I HN 0.753 8.791 8.210 -0.287 0.000 0.470 1006 P HA 0.419 nan 4.420 nan 0.000 0.278 1006 P C -1.463 175.745 177.300 -0.153 0.000 1.258 1006 P CA -1.446 61.471 63.100 -0.306 0.000 0.811 1006 P CB 1.010 32.461 31.700 -0.415 0.000 1.063 1007 R N -0.631 119.805 120.500 -0.105 0.000 2.643 1007 R HA -0.058 nan 4.340 nan 0.000 0.270 1007 R C -0.634 175.674 176.300 0.013 0.000 1.061 1007 R CA 0.099 56.189 56.100 -0.016 0.000 1.107 1007 R CB 0.875 31.181 30.300 0.010 0.000 0.999 1007 R HN -0.341 8.135 8.270 -0.135 -0.287 0.460 1008 E N 3.993 124.214 120.200 0.035 0.000 2.180 1008 E HA -0.033 nan 4.350 nan 0.000 0.283 1008 E C -0.321 176.317 176.600 0.064 0.000 1.061 1008 E CA -0.527 55.905 56.400 0.053 0.000 0.861 1008 E CB 0.226 29.953 29.700 0.044 0.000 1.056 1008 E HN -0.017 8.366 8.360 0.038 0.000 0.407 1009 R N 4.576 125.130 120.500 0.091 0.000 2.334 1009 R HA 0.007 nan 4.340 nan 0.000 0.216 1009 R C 0.042 176.387 176.300 0.076 0.000 0.905 1009 R CA -0.186 55.970 56.100 0.094 0.000 1.064 1009 R CB 0.159 30.545 30.300 0.143 0.000 1.046 1009 R HN 0.234 8.571 8.270 0.111 0.000 0.508 1010 L N 2.259 123.527 121.223 0.074 0.000 2.455 1010 L HA -0.053 nan 4.340 nan 0.000 0.272 1010 L C -0.328 176.566 176.870 0.040 0.000 1.174 1010 L CA 0.575 55.449 54.840 0.058 0.000 0.869 1010 L CB 1.186 43.284 42.059 0.065 0.000 1.130 1010 L HN -0.604 7.943 8.230 0.085 -0.266 0.474 1011 T N 7.703 122.274 114.554 0.029 0.000 2.831 1011 T HA -0.122 nan 4.350 nan 0.000 0.291 1011 T C -0.260 174.446 174.700 0.010 0.000 0.981 1011 T CA 1.730 63.840 62.100 0.018 0.000 1.174 1011 T CB -0.656 68.219 68.868 0.012 0.000 0.929 1011 T HN 0.365 8.622 8.240 0.028 0.000 0.532 1012 N N -0.852 117.852 118.700 0.006 0.000 2.714 1012 N HA -0.391 nan 4.740 nan 0.000 0.250 1012 N C -1.411 174.095 175.510 -0.007 0.000 1.117 1012 N CA 0.980 54.027 53.050 -0.005 0.000 0.719 1012 N CB -0.306 38.172 38.487 -0.016 0.000 1.081 1012 N HN 0.404 8.791 8.380 0.011 0.000 0.557 1013 E N 0.304 120.508 120.200 0.008 0.000 2.313 1013 E HA 0.128 nan 4.350 nan 0.000 0.272 1013 E C -0.570 176.036 176.600 0.010 0.000 1.038 1013 E CA -0.434 55.974 56.400 0.012 0.000 0.863 1013 E CB 1.205 30.923 29.700 0.031 0.000 1.060 1013 E HN -0.648 7.690 8.360 0.016 0.032 0.402 1014 T N 3.143 117.701 114.554 0.006 0.000 3.044 1014 T HA 0.199 nan 4.350 nan 0.000 0.260 1014 T C 0.170 174.882 174.700 0.020 0.000 1.019 1014 T CA -0.019 62.085 62.100 0.007 0.000 0.921 1014 T CB -0.155 68.707 68.868 -0.010 0.000 1.053 1014 T HN 0.131 8.374 8.240 0.006 0.000 0.533 1015 R N 0.756 121.265 120.500 0.015 0.000 2.577 1015 R HA 0.254 nan 4.340 nan 0.000 0.269 1015 R C -1.938 174.383 176.300 0.034 0.000 1.084 1015 R CA -0.058 56.050 56.100 0.013 0.000 1.163 1015 R CB 1.478 31.750 30.300 -0.047 0.000 1.100 1015 R HN -0.456 8.091 8.270 0.009 -0.271 0.547 1016 V N -2.064 117.886 119.914 0.060 0.000 3.046 1016 V HA 0.481 nan 4.120 nan 0.000 0.316 1016 V C -1.424 174.720 176.094 0.083 0.000 1.104 1016 V CA -2.959 59.388 62.300 0.079 0.000 1.006 1016 V CB 3.111 35.029 31.823 0.158 0.000 1.058 1016 V HN -0.097 8.133 8.190 0.066 0.000 0.440 1017 A N 3.025 125.892 122.820 0.079 0.000 1.902 1017 A HA -0.142 nan 4.320 nan 0.000 0.217 1017 A C -1.476 176.185 177.584 0.128 0.000 1.181 1017 A CA 2.940 55.066 52.037 0.148 0.000 0.623 1017 A CB 0.779 19.803 19.000 0.041 0.000 0.818 1017 A HN -0.035 8.135 8.150 0.034 0.000 0.443 1018 A N -7.241 115.622 122.820 0.071 0.000 2.520 1018 A HA 0.285 nan 4.320 nan 0.000 0.298 1018 A C -0.912 176.729 177.584 0.095 0.000 1.051 1018 A CA -1.073 50.992 52.037 0.047 0.000 0.690 1018 A CB 2.206 21.205 19.000 -0.003 0.000 1.281 1018 A HN -0.904 7.289 8.150 0.072 0.000 0.402 1019 T N -0.939 113.586 114.554 -0.047 0.000 2.849 1019 T HA 0.360 nan 4.350 nan 0.000 0.284 1019 T C -0.853 173.640 174.700 -0.345 0.000 1.004 1019 T CA -2.622 59.284 62.100 -0.324 0.000 1.021 1019 T CB -1.189 67.445 68.868 -0.390 0.000 1.013 1019 T HN 0.264 8.470 8.240 -0.056 0.000 0.527 1020 P HA -0.359 nan 4.420 nan 0.000 0.217 1020 P C 1.353 178.543 177.300 -0.184 0.000 1.158 1020 P CA 3.551 66.440 63.100 -0.352 0.000 0.887 1020 P CB 0.039 31.432 31.700 -0.511 0.000 0.792 1021 K N -4.201 116.073 120.400 -0.211 0.000 2.063 1021 K HA -0.268 nan 4.320 nan 0.000 0.208 1021 K C 2.658 179.213 176.600 -0.075 0.000 1.048 1021 K CA 3.415 59.637 56.287 -0.108 0.000 0.928 1021 K CB -0.784 31.663 32.500 -0.088 0.000 0.713 1021 K HN 0.533 8.569 8.250 -0.331 0.015 0.442 1022 T N -1.754 112.750 114.554 -0.084 0.000 2.942 1022 T HA -0.014 nan 4.350 nan 0.000 0.265 1022 T C 1.858 176.533 174.700 -0.042 0.000 1.062 1022 T CA 3.044 65.109 62.100 -0.058 0.000 1.139 1022 T CB -0.447 68.385 68.868 -0.059 0.000 0.883 1022 T HN -0.398 7.652 8.240 -0.122 0.117 0.468 1023 V N 3.267 123.168 119.914 -0.021 0.000 2.324 1023 V HA -0.531 nan 4.120 nan 0.000 0.250 1023 V C 1.836 177.927 176.094 -0.005 0.000 1.060 1023 V CA 4.369 66.669 62.300 0.001 0.000 1.042 1023 V CB -1.216 30.652 31.823 0.074 0.000 0.650 1023 V HN 0.357 8.466 8.190 -0.024 0.067 0.450 1024 E N -2.038 118.157 120.200 -0.009 0.000 2.086 1024 E HA -0.514 nan 4.350 nan 0.000 0.200 1024 E C 2.503 179.099 176.600 -0.007 0.000 1.012 1024 E CA 3.782 60.178 56.400 -0.007 0.000 0.812 1024 E CB -0.556 29.135 29.700 -0.015 0.000 0.743 1024 E HN -0.068 8.280 8.360 -0.019 0.000 0.453 1025 Q N -1.617 118.173 119.800 -0.016 0.000 2.124 1025 Q HA -0.249 nan 4.340 nan 0.000 0.202 1025 Q C 2.790 178.788 176.000 -0.003 0.000 0.977 1025 Q CA 2.763 58.557 55.803 -0.015 0.000 0.850 1025 Q CB -0.218 28.503 28.738 -0.028 0.000 0.901 1025 Q HN -0.691 7.449 8.270 -0.025 0.115 0.429 1026 L N -1.145 120.072 121.223 -0.010 0.000 2.093 1026 L HA -0.350 nan 4.340 nan 0.000 0.208 1026 L C 2.020 178.922 176.870 0.054 0.000 1.085 1026 L CA 2.825 57.670 54.840 0.007 0.000 0.755 1026 L CB -0.454 41.583 42.059 -0.037 0.000 0.904 1026 L HN -0.330 7.801 8.230 -0.022 0.086 0.435 1027 L N -1.609 119.634 121.223 0.033 0.000 2.046 1027 L HA -0.390 nan 4.340 nan 0.000 0.208 1027 L C 2.640 179.532 176.870 0.036 0.000 1.077 1027 L CA 3.351 58.216 54.840 0.041 0.000 0.747 1027 L CB -0.915 41.157 42.059 0.022 0.000 0.896 1027 L HN 0.053 8.215 8.230 0.015 0.077 0.432 1028 K N -0.705 119.709 120.400 0.023 0.000 2.103 1028 K HA -0.319 nan 4.320 nan 0.000 0.207 1028 K C 2.677 179.284 176.600 0.013 0.000 1.048 1028 K CA 2.295 58.588 56.287 0.010 0.000 0.930 1028 K CB -0.700 31.802 32.500 0.003 0.000 0.716 1028 K HN -0.322 7.939 8.250 0.017 0.000 0.444 1029 L N -4.932 116.322 121.223 0.052 0.000 2.447 1029 L HA -0.343 nan 4.340 nan 0.000 0.225 1029 L C 0.238 177.102 176.870 -0.011 0.000 1.148 1029 L CA 1.250 56.143 54.840 0.088 0.000 0.808 1029 L CB -0.210 41.987 42.059 0.230 0.000 0.928 1029 L HN -0.692 7.564 8.230 0.062 0.011 0.448 1030 G N -4.668 104.108 108.800 -0.039 0.000 2.132 1030 G HA2 -0.334 nan 3.960 nan 0.000 0.228 1030 G HA3 -0.334 nan 3.960 nan 0.000 0.228 1030 G C -0.226 174.508 174.900 -0.277 0.000 1.000 1030 G CA -0.082 44.913 45.100 -0.174 0.000 0.693 1030 G HN -0.439 7.708 8.290 0.023 0.157 0.515 1031 F N -1.209 118.713 119.950 -0.046 0.000 2.541 1031 F HA 0.557 nan 4.527 nan 0.000 0.331 1031 F C -0.259 175.528 175.800 -0.022 0.000 1.057 1031 F CA -0.887 57.080 58.000 -0.055 0.000 0.975 1031 F CB 3.049 42.011 39.000 -0.062 0.000 1.246 1031 F HN -0.817 7.609 8.300 0.210 0.000 0.484 1032 T N 1.042 115.725 114.554 0.215 0.000 2.869 1032 T HA 0.201 nan 4.350 nan 0.000 0.295 1032 T C -1.425 173.334 174.700 0.098 0.000 0.987 1032 T CA -0.576 61.619 62.100 0.158 0.000 1.109 1032 T CB 0.200 69.200 68.868 0.221 0.000 0.932 1032 T HN 0.514 8.896 8.240 0.236 0.000 0.518 1033 V N 3.017 122.956 119.914 0.041 0.000 2.487 1033 V HA 0.793 nan 4.120 nan 0.000 0.298 1033 V C -1.526 174.536 176.094 -0.052 0.000 1.028 1033 V CA -1.732 60.557 62.300 -0.017 0.000 0.860 1033 V CB 1.572 33.380 31.823 -0.024 0.000 0.991 1033 V HN 0.361 8.573 8.190 0.036 0.000 0.427 1034 A N 7.172 129.933 122.820 -0.098 0.000 2.371 1034 A HA 0.976 nan 4.320 nan 0.000 0.311 1034 A C -2.424 175.029 177.584 -0.218 0.000 1.068 1034 A CA -1.783 50.176 52.037 -0.129 0.000 0.744 1034 A CB 2.973 21.909 19.000 -0.105 0.000 1.239 1034 A HN 0.809 8.894 8.150 -0.109 0.000 0.435 1035 V N 2.127 121.871 119.914 -0.284 0.000 2.769 1035 V HA 0.606 nan 4.120 nan 0.000 0.312 1035 V C -1.002 174.883 176.094 -0.349 0.000 1.061 1035 V CA -1.988 60.045 62.300 -0.444 0.000 0.931 1035 V CB 3.208 34.523 31.823 -0.846 0.000 1.010 1035 V HN 0.939 8.989 8.190 -0.234 0.000 0.433 1036 E N 4.326 124.326 120.200 -0.333 0.000 2.436 1036 E HA -0.127 nan 4.350 nan 0.000 0.262 1036 E C 0.401 176.904 176.600 -0.160 0.000 1.063 1036 E CA 0.318 56.584 56.400 -0.223 0.000 0.944 1036 E CB 1.277 30.856 29.700 -0.201 0.000 0.950 1036 E HN 0.485 8.623 8.360 -0.370 0.000 0.444 1037 S N 5.098 120.751 115.700 -0.079 0.000 2.973 1037 S HA -0.300 nan 4.470 nan 0.000 0.357 1037 S C 0.683 175.297 174.600 0.023 0.000 1.159 1037 S CA 2.357 60.545 58.200 -0.020 0.000 1.423 1037 S CB -1.183 62.016 63.200 -0.002 0.000 1.115 1037 S HN 0.054 8.320 8.310 -0.074 0.000 0.563 1038 G N 3.239 112.087 108.800 0.079 0.000 2.273 1038 G HA2 -0.370 nan 3.960 nan 0.000 0.280 1038 G HA3 -0.370 nan 3.960 nan 0.000 0.280 1038 G C 0.218 175.237 174.900 0.199 0.000 1.047 1038 G CA 0.408 45.622 45.100 0.189 0.000 0.869 1038 G HN 0.023 8.359 8.290 0.070 -0.004 0.502 1039 A N 0.544 123.427 122.820 0.105 0.000 2.032 1039 A HA -0.247 nan 4.320 nan 0.000 0.221 1039 A C 0.968 178.674 177.584 0.204 0.000 1.165 1039 A CA 2.521 54.593 52.037 0.059 0.000 0.645 1039 A CB -0.334 18.575 19.000 -0.151 0.000 0.807 1039 A HN -0.039 8.090 8.150 -0.036 0.000 0.453 1040 G N -4.582 104.501 108.800 0.470 0.000 3.233 1040 G HA2 -0.022 nan 3.960 nan 0.000 0.227 1040 G HA3 -0.022 nan 3.960 nan 0.000 0.227 1040 G C 0.912 175.951 174.900 0.232 0.000 1.175 1040 G CA -0.302 45.031 45.100 0.388 0.000 0.781 1040 G HN -0.433 8.272 8.290 0.780 0.053 0.542 1041 Q N 2.189 122.092 119.800 0.172 0.000 2.226 1041 Q HA -0.285 nan 4.340 nan 0.000 0.204 1041 Q C 2.350 178.387 176.000 0.061 0.000 0.975 1041 Q CA 2.511 58.372 55.803 0.095 0.000 0.866 1041 Q CB -0.344 28.437 28.738 0.073 0.000 0.915 1041 Q HN -0.293 8.027 8.270 0.182 0.059 0.440 1042 L N -2.318 118.947 121.223 0.070 0.000 2.043 1042 L HA -0.264 nan 4.340 nan 0.000 0.212 1042 L C 0.475 177.372 176.870 0.046 0.000 1.075 1042 L CA 2.132 57.000 54.840 0.047 0.000 0.752 1042 L CB -0.188 41.901 42.059 0.051 0.000 0.891 1042 L HN -0.048 8.232 8.230 0.082 0.000 0.432 1043 A N -5.027 117.845 122.820 0.087 0.000 2.833 1043 A HA 0.272 nan 4.320 nan 0.000 0.293 1043 A C -0.581 177.065 177.584 0.103 0.000 1.338 1043 A CA -0.855 51.242 52.037 0.101 0.000 0.959 1043 A CB -0.310 18.781 19.000 0.152 0.000 1.094 1043 A HN -0.250 7.829 8.150 0.120 0.143 0.569 1044 S N -3.751 111.955 115.700 0.009 0.000 2.981 1044 S HA -0.433 nan 4.470 nan 0.000 0.274 1044 S C -0.621 173.842 174.600 -0.227 0.000 1.297 1044 S CA 2.376 60.497 58.200 -0.131 0.000 1.266 1044 S CB -1.320 61.736 63.200 -0.240 0.000 1.542 1044 S HN -0.065 8.081 8.310 0.017 0.174 0.674 1045 F N 1.347 121.224 119.950 -0.121 0.000 2.388 1045 F HA 0.043 nan 4.527 nan 0.000 0.358 1045 F C -1.578 174.135 175.800 -0.146 0.000 1.122 1045 F CA -0.482 57.372 58.000 -0.243 0.000 1.056 1045 F CB 1.383 40.051 39.000 -0.554 0.000 1.155 1045 F HN -0.449 7.848 8.300 0.234 0.144 0.461 1046 D N 3.024 123.477 120.400 0.089 0.000 2.447 1046 D HA -0.114 nan 4.640 nan 0.000 0.265 1046 D C 0.779 177.235 176.300 0.261 0.000 1.250 1046 D CA -0.872 53.217 54.000 0.149 0.000 1.046 1046 D CB 1.634 42.480 40.800 0.076 0.000 1.095 1046 D HN -0.073 8.317 8.370 0.033 0.000 0.555 1047 D N -0.384 120.158 120.400 0.237 0.000 2.205 1047 D HA -0.448 nan 4.640 nan 0.000 0.190 1047 D C 2.241 178.660 176.300 0.198 0.000 1.002 1047 D CA 4.495 58.631 54.000 0.225 0.000 0.848 1047 D CB -0.163 40.707 40.800 0.117 0.000 0.975 1047 D HN 0.462 8.936 8.370 0.174 0.000 0.449 1048 K N -1.710 118.760 120.400 0.117 0.000 2.280 1048 K HA -0.259 nan 4.320 nan 0.000 0.202 1048 K C 1.755 178.403 176.600 0.079 0.000 1.047 1048 K CA 2.402 58.739 56.287 0.084 0.000 0.942 1048 K CB -0.332 32.199 32.500 0.052 0.000 0.739 1048 K HN -0.413 8.151 8.250 0.097 -0.256 0.457 1049 A N -0.264 122.600 122.820 0.073 0.000 1.877 1049 A HA -0.217 nan 4.320 nan 0.000 0.216 1049 A C 2.168 179.736 177.584 -0.026 0.000 1.186 1049 A CA 2.774 54.836 52.037 0.042 0.000 0.620 1049 A CB -0.830 18.229 19.000 0.098 0.000 0.822 1049 A HN -0.520 7.894 8.150 0.080 -0.216 0.443 1050 F N -3.533 116.440 119.950 0.038 0.000 2.407 1050 F HA -0.230 nan 4.527 nan 0.000 0.299 1050 F C 2.210 178.002 175.800 -0.014 0.000 1.097 1050 F CA 3.567 61.553 58.000 -0.023 0.000 1.422 1050 F CB -0.256 38.723 39.000 -0.035 0.000 1.067 1050 F HN -0.444 7.887 8.300 0.195 0.087 0.539 1051 V N -0.537 119.476 119.914 0.165 0.000 2.626 1051 V HA -0.404 nan 4.120 nan 0.000 0.252 1051 V C 1.664 177.795 176.094 0.062 0.000 1.067 1051 V CA 3.065 65.420 62.300 0.091 0.000 1.081 1051 V CB -1.454 30.411 31.823 0.070 0.000 0.686 1051 V HN 0.056 8.240 8.190 0.176 0.111 0.468 1052 Q N -0.334 119.498 119.800 0.053 0.000 2.050 1052 Q HA -0.305 nan 4.340 nan 0.000 0.202 1052 Q C 1.767 177.781 176.000 0.024 0.000 0.980 1052 Q CA 2.394 58.216 55.803 0.032 0.000 0.840 1052 Q CB -0.007 28.747 28.738 0.027 0.000 0.898 1052 Q HN 0.007 8.207 8.270 0.060 0.106 0.424 1053 A N -2.541 120.294 122.820 0.024 0.000 1.930 1053 A HA -0.085 nan 4.320 nan 0.000 0.217 1053 A C 0.137 177.740 177.584 0.032 0.000 1.175 1053 A CA 0.540 52.589 52.037 0.020 0.000 0.627 1053 A CB 0.605 19.626 19.000 0.035 0.000 0.815 1053 A HN -0.570 7.594 8.150 0.024 0.000 0.443 1054 G N -2.727 106.103 108.800 0.049 0.000 2.970 1054 G HA2 -0.306 nan 3.960 nan 0.000 0.249 1054 G HA3 -0.306 nan 3.960 nan 0.000 0.249 1054 G C -1.885 173.037 174.900 0.038 0.000 1.113 1054 G CA -0.388 44.735 45.100 0.037 0.000 1.119 1054 G HN -0.413 7.805 8.290 0.068 0.113 0.552 1055 A N 0.491 123.342 122.820 0.051 0.000 2.342 1055 A HA 0.294 nan 4.320 nan 0.000 0.323 1055 A C -1.273 176.307 177.584 -0.006 0.000 1.125 1055 A CA -1.519 50.526 52.037 0.015 0.000 0.785 1055 A CB 2.486 21.488 19.000 0.004 0.000 1.221 1055 A HN -0.239 7.957 8.150 0.077 0.000 0.463 1056 E N 3.199 123.381 120.200 -0.030 0.000 2.351 1056 E HA -0.093 nan 4.350 nan 0.000 0.266 1056 E C -0.814 175.749 176.600 -0.063 0.000 1.031 1056 E CA -0.151 56.228 56.400 -0.035 0.000 0.911 1056 E CB 1.114 30.793 29.700 -0.034 0.000 0.986 1056 E HN 0.010 8.350 8.360 -0.033 0.000 0.446 1057 I N 5.692 126.235 120.570 -0.045 0.000 2.269 1057 I HA 0.088 nan 4.170 nan 0.000 0.293 1057 I C -0.365 175.717 176.117 -0.059 0.000 1.106 1057 I CA -1.752 59.513 61.300 -0.060 0.000 1.248 1057 I CB -1.446 36.545 38.000 -0.015 0.000 1.444 1057 I HN 0.223 8.419 8.210 -0.023 0.000 0.497 1058 V N 5.439 125.298 119.914 -0.090 0.000 2.470 1058 V HA 0.116 nan 4.120 nan 0.000 0.276 1058 V C -0.193 175.863 176.094 -0.063 0.000 1.040 1058 V CA -1.735 60.520 62.300 -0.075 0.000 1.008 1058 V CB -0.003 31.762 31.823 -0.095 0.000 0.990 1058 V HN 0.510 8.624 8.190 -0.126 0.000 0.477 1059 E N 6.739 126.920 120.200 -0.033 0.000 1.775 1059 E HA -0.122 nan 4.350 nan 0.000 0.266 1059 E C 0.893 177.492 176.600 -0.001 0.000 1.191 1059 E CA -0.328 56.063 56.400 -0.014 0.000 1.048 1059 E CB -1.754 27.944 29.700 -0.004 0.000 1.081 1059 E HN 0.468 8.811 8.360 -0.028 0.000 0.434 1060 G N 5.834 114.630 108.800 -0.006 0.000 2.514 1060 G HA2 -0.500 nan 3.960 nan 0.000 0.265 1060 G HA3 -0.500 nan 3.960 nan 0.000 0.265 1060 G C 0.176 175.104 174.900 0.047 0.000 1.150 1060 G CA 0.663 45.780 45.100 0.028 0.000 0.959 1060 G HN 0.026 8.266 8.290 -0.027 0.034 0.556 1061 N N 3.861 122.633 118.700 0.120 0.000 2.272 1061 N HA -0.236 nan 4.740 nan 0.000 0.185 1061 N C 2.253 177.884 175.510 0.202 0.000 1.014 1061 N CA 2.576 55.777 53.050 0.251 0.000 0.870 1061 N CB -0.053 38.556 38.487 0.204 0.000 0.975 1061 N HN 0.366 8.805 8.380 0.099 0.000 0.433 1062 S N 0.521 116.269 115.700 0.080 0.000 2.465 1062 S HA -0.306 nan 4.470 nan 0.000 0.241 1062 S C 2.243 176.830 174.600 -0.022 0.000 1.000 1062 S CA 3.105 61.328 58.200 0.039 0.000 0.964 1062 S CB -0.141 63.064 63.200 0.008 0.000 0.763 1062 S HN -0.147 8.180 8.310 0.059 0.018 0.512 1063 V N 3.037 122.876 119.914 -0.125 0.000 2.392 1063 V HA -0.339 nan 4.120 nan 0.000 0.249 1063 V C 0.562 176.461 176.094 -0.325 0.000 1.059 1063 V CA 3.696 65.816 62.300 -0.301 0.000 1.051 1063 V CB -0.414 31.120 31.823 -0.481 0.000 0.658 1063 V HN -0.044 8.051 8.190 -0.107 0.030 0.455 1064 W N -3.409 117.875 121.300 -0.026 0.000 2.519 1064 W HA -0.180 nan 4.660 nan 0.000 0.266 1064 W C 0.861 177.370 176.519 -0.017 0.000 1.253 1064 W CA 1.410 58.742 57.345 -0.022 0.000 1.274 1064 W CB 0.117 29.568 29.460 -0.016 0.000 1.114 1064 W HN -0.260 7.742 8.180 -0.097 0.120 0.596 1065 Q N -0.391 119.499 119.800 0.150 0.000 3.027 1065 Q HA 0.110 nan 4.340 nan 0.000 0.260 1065 Q C -1.149 174.882 176.000 0.051 0.000 1.379 1065 Q CA -0.559 55.302 55.803 0.097 0.000 1.038 1065 Q CB -1.683 27.101 28.738 0.077 0.000 1.578 1065 Q HN -0.572 7.585 8.270 0.110 0.180 0.571 1066 S N 1.312 117.037 115.700 0.042 0.000 2.533 1066 S HA 0.228 nan 4.470 nan 0.000 0.271 1066 S C -1.209 173.395 174.600 0.007 0.000 1.143 1066 S CA -0.059 58.148 58.200 0.012 0.000 0.891 1066 S CB 2.556 65.731 63.200 -0.042 0.000 1.105 1066 S HN -0.275 8.042 8.310 0.067 0.034 0.468 1067 E N 0.998 121.200 120.200 0.002 0.000 2.427 1067 E HA 0.061 nan 4.350 nan 0.000 0.196 1067 E C -0.375 176.185 176.600 -0.066 0.000 1.028 1067 E CA 1.764 58.158 56.400 -0.010 0.000 0.864 1067 E CB 0.748 30.457 29.700 0.014 0.000 0.813 1067 E HN 0.122 8.495 8.360 0.021 0.000 0.514 1068 I N -1.313 119.182 120.570 -0.125 0.000 2.447 1068 I HA 0.359 nan 4.170 nan 0.000 0.287 1068 I C -1.899 174.129 176.117 -0.149 0.000 1.023 1068 I CA -0.686 60.506 61.300 -0.181 0.000 1.083 1068 I CB 2.378 40.176 38.000 -0.337 0.000 1.245 1068 I HN -0.075 8.032 8.210 -0.116 0.034 0.434 1069 I N 6.731 127.236 120.570 -0.110 0.000 2.382 1069 I HA 0.473 nan 4.170 nan 0.000 0.285 1069 I C -1.400 174.653 176.117 -0.108 0.000 1.007 1069 I CA -1.808 59.427 61.300 -0.107 0.000 1.142 1069 I CB 0.700 38.691 38.000 -0.016 0.000 1.289 1069 I HN 0.754 8.912 8.210 -0.087 0.000 0.453 1070 L N 8.198 129.336 121.223 -0.143 0.000 2.358 1070 L HA 0.089 nan 4.340 nan 0.000 0.274 1070 L C -1.181 175.661 176.870 -0.046 0.000 1.136 1070 L CA -0.553 54.211 54.840 -0.126 0.000 0.970 1070 L CB -1.580 40.375 42.059 -0.174 0.000 1.314 1070 L HN 0.082 8.209 8.230 -0.171 0.000 0.427 1071 K N 1.272 121.678 120.400 0.009 0.000 2.185 1071 K HA 0.183 nan 4.320 nan 0.000 0.271 1071 K C 0.540 177.227 176.600 0.146 0.000 1.013 1071 K CA -0.936 55.392 56.287 0.068 0.000 0.943 1071 K CB 1.901 34.471 32.500 0.117 0.000 0.998 1071 K HN -0.302 7.945 8.250 -0.004 0.000 0.468 1072 V N 2.768 122.750 119.914 0.113 0.000 2.878 1072 V HA -0.067 nan 4.120 nan 0.000 0.250 1072 V C 0.009 176.108 176.094 0.009 0.000 1.075 1072 V CA 1.781 64.102 62.300 0.034 0.000 1.096 1072 V CB -0.009 31.796 31.823 -0.030 0.000 0.724 1072 V HN 0.209 8.594 8.190 0.087 -0.142 0.467 1073 N N -2.107 116.675 118.700 0.137 0.000 3.278 1073 N HA 0.449 nan 4.740 nan 0.000 0.307 1073 N C -1.141 174.486 175.510 0.195 0.000 1.551 1073 N CA -1.251 51.942 53.050 0.239 0.000 0.794 1073 N CB 3.320 41.946 38.487 0.231 0.000 1.770 1073 N HN -0.394 8.307 8.380 0.124 -0.247 0.612 1074 A N 0.328 123.272 122.820 0.207 0.000 2.561 1074 A HA 0.049 nan 4.320 nan 0.000 0.234 1074 A C -1.733 175.925 177.584 0.123 0.000 1.055 1074 A CA -0.747 51.380 52.037 0.150 0.000 0.756 1074 A CB -0.614 18.482 19.000 0.161 0.000 0.986 1074 A HN -0.089 8.229 8.150 0.280 0.000 0.505 1075 P HA -0.022 nan 4.420 nan 0.000 0.265 1075 P C -1.549 175.775 177.300 0.040 0.000 1.222 1075 P CA 0.387 63.531 63.100 0.072 0.000 0.767 1075 P CB -0.228 31.500 31.700 0.046 0.000 0.801 1076 L N 4.755 125.998 121.223 0.034 0.000 2.464 1076 L HA -0.139 nan 4.340 nan 0.000 0.264 1076 L C 1.250 178.105 176.870 -0.026 0.000 1.199 1076 L CA 0.180 55.026 54.840 0.010 0.000 0.818 1076 L CB 0.499 42.568 42.059 0.016 0.000 1.102 1076 L HN -0.066 8.541 8.230 0.054 -0.345 0.473 1077 D N 1.418 121.800 120.400 -0.030 0.000 2.182 1077 D HA -0.391 nan 4.640 nan 0.000 0.201 1077 D C 1.784 178.035 176.300 -0.081 0.000 0.986 1077 D CA 4.016 57.987 54.000 -0.049 0.000 0.847 1077 D CB -0.109 40.670 40.800 -0.036 0.000 0.942 1077 D HN 0.500 8.859 8.370 -0.019 0.000 0.467 1078 D N -1.366 118.986 120.400 -0.079 0.000 2.154 1078 D HA -0.339 nan 4.640 nan 0.000 0.190 1078 D C 1.905 178.076 176.300 -0.216 0.000 1.003 1078 D CA 3.261 57.194 54.000 -0.113 0.000 0.849 1078 D CB 0.040 40.797 40.800 -0.071 0.000 0.942 1078 D HN 0.365 8.703 8.370 -0.053 0.000 0.446 1079 E N -1.318 118.749 120.200 -0.222 0.000 2.158 1079 E HA -0.221 nan 4.350 nan 0.000 0.191 1079 E C 2.652 179.012 176.600 -0.401 0.000 0.982 1079 E CA 1.977 58.115 56.400 -0.436 0.000 0.823 1079 E CB 0.164 29.755 29.700 -0.183 0.000 0.766 1079 E HN -0.453 7.710 8.360 -0.127 0.122 0.468 1080 I N 0.072 120.523 120.570 -0.198 0.000 2.145 1080 I HA -0.613 nan 4.170 nan 0.000 0.244 1080 I C 1.652 177.670 176.117 -0.165 0.000 1.075 1080 I CA 3.729 64.947 61.300 -0.136 0.000 1.332 1080 I CB -0.327 37.627 38.000 -0.077 0.000 1.033 1080 I HN 0.131 8.255 8.210 -0.143 0.000 0.410 1081 A N -1.970 120.741 122.820 -0.181 0.000 1.933 1081 A HA -0.249 nan 4.320 nan 0.000 0.218 1081 A C 2.396 179.839 177.584 -0.235 0.000 1.175 1081 A CA 2.908 54.845 52.037 -0.168 0.000 0.628 1081 A CB -0.567 18.344 19.000 -0.148 0.000 0.814 1081 A HN -0.439 7.597 8.150 -0.179 0.007 0.444 1082 L N -3.574 117.398 121.223 -0.419 0.000 2.291 1082 L HA -0.219 nan 4.340 nan 0.000 0.214 1082 L C 0.732 177.340 176.870 -0.437 0.000 1.120 1082 L CA 1.604 56.072 54.840 -0.620 0.000 0.799 1082 L CB -0.017 41.255 42.059 -1.312 0.000 0.925 1082 L HN -0.633 7.233 8.230 -0.463 0.086 0.446 1083 L N -1.542 119.501 121.223 -0.299 0.000 2.476 1083 L HA -0.115 nan 4.340 nan 0.000 0.264 1083 L C -0.995 175.877 176.870 0.003 0.000 1.224 1083 L CA 0.610 55.431 54.840 -0.031 0.000 0.821 1083 L CB 0.252 42.308 42.059 -0.004 0.000 1.101 1083 L HN -0.315 7.563 8.230 -0.340 0.148 0.488 1084 N N 0.410 119.144 118.700 0.057 0.000 2.269 1084 N HA 0.430 nan 4.740 nan 0.000 0.304 1084 N C -2.246 173.285 175.510 0.035 0.000 1.072 1084 N CA -2.537 50.537 53.050 0.041 0.000 0.802 1084 N CB 2.525 41.049 38.487 0.063 0.000 1.348 1084 N HN 0.257 8.693 8.380 0.093 0.000 0.484 1085 P HA -0.203 nan 4.420 nan 0.000 0.269 1085 P C 0.102 177.419 177.300 0.027 0.000 1.217 1085 P CA 1.000 64.113 63.100 0.022 0.000 0.783 1085 P CB 0.251 31.962 31.700 0.017 0.000 0.898 1086 G N 1.571 110.387 108.800 0.027 0.000 2.234 1086 G HA2 -0.455 nan 3.960 nan 0.000 0.260 1086 G HA3 -0.455 nan 3.960 nan 0.000 0.260 1086 G C -0.370 174.545 174.900 0.025 0.000 0.987 1086 G CA 0.421 45.538 45.100 0.028 0.000 0.625 1086 G HN 0.279 8.585 8.290 0.026 0.000 0.532 1087 T N 4.737 119.307 114.554 0.026 0.000 2.869 1087 T HA 0.054 nan 4.350 nan 0.000 0.295 1087 T C 0.231 174.934 174.700 0.004 0.000 0.987 1087 T CA 0.819 62.930 62.100 0.019 0.000 1.109 1087 T CB 0.581 69.473 68.868 0.040 0.000 0.932 1087 T HN -0.700 7.491 8.240 0.030 0.067 0.518 1088 T N 8.505 123.046 114.554 -0.023 0.000 3.182 1088 T HA 0.064 nan 4.350 nan 0.000 0.274 1088 T C -0.759 173.909 174.700 -0.053 0.000 0.997 1088 T CA 0.491 62.563 62.100 -0.047 0.000 1.082 1088 T CB -1.347 67.472 68.868 -0.082 0.000 1.005 1088 T HN 0.626 8.848 8.240 -0.029 0.000 0.688 1089 L N 8.946 130.154 121.223 -0.024 0.000 2.385 1089 L HA 0.314 nan 4.340 nan 0.000 0.285 1089 L C -1.900 174.946 176.870 -0.040 0.000 1.125 1089 L CA -0.239 54.595 54.840 -0.011 0.000 0.890 1089 L CB 0.410 42.484 42.059 0.025 0.000 1.251 1089 L HN 0.464 8.594 8.230 -0.014 0.092 0.445 1090 V N 9.960 129.830 119.914 -0.074 0.000 2.364 1090 V HA 0.506 nan 4.120 nan 0.000 0.272 1090 V C -1.260 174.784 176.094 -0.083 0.000 1.036 1090 V CA -0.584 61.649 62.300 -0.111 0.000 0.880 1090 V CB -0.208 31.509 31.823 -0.177 0.000 0.991 1090 V HN 0.777 8.918 8.190 -0.080 0.000 0.460 1091 S N 5.480 121.149 115.700 -0.051 0.000 2.596 1091 S HA 0.505 nan 4.470 nan 0.000 0.270 1091 S C -1.021 173.600 174.600 0.035 0.000 1.155 1091 S CA -1.474 56.746 58.200 0.032 0.000 0.827 1091 S CB 3.902 67.141 63.200 0.065 0.000 1.130 1091 S HN 0.707 8.978 8.310 -0.065 0.000 0.467 1092 F N 2.687 122.615 119.950 -0.036 0.000 2.484 1092 F HA -0.130 nan 4.527 nan 0.000 0.355 1092 F C -0.066 175.491 175.800 -0.406 0.000 1.170 1092 F CA 0.288 58.056 58.000 -0.386 0.000 1.025 1092 F CB -1.276 37.536 39.000 -0.314 0.000 1.107 1092 F HN 0.339 8.759 8.300 0.200 0.000 0.589 1093 I N 2.034 122.456 120.570 -0.246 0.000 2.927 1093 I HA -0.166 nan 4.170 nan 0.000 0.268 1093 I C 0.224 176.319 176.117 -0.037 0.000 1.153 1093 I CA 0.807 62.043 61.300 -0.107 0.000 1.459 1093 I CB 0.664 38.601 38.000 -0.104 0.000 1.149 1093 I HN 0.097 8.363 8.210 -0.292 -0.231 0.443 1094 W N -3.362 117.922 121.300 -0.027 0.000 5.820 1094 W HA -0.249 nan 4.660 nan 0.000 0.415 1094 W C -1.454 174.973 176.519 -0.153 0.000 1.627 1094 W CA -0.435 56.860 57.345 -0.083 0.000 0.991 1094 W CB -3.126 26.276 29.460 -0.098 0.000 2.842 1094 W HN -0.333 7.930 8.180 -0.570 -0.425 1.416 1095 P HA -0.309 nan 4.420 nan 0.000 0.216 1095 P C 0.601 177.651 177.300 -0.417 0.000 1.150 1095 P CA 2.701 65.521 63.100 -0.467 0.000 0.843 1095 P CB -0.330 30.765 31.700 -1.008 0.000 0.787 1096 A N -2.994 119.713 122.820 -0.188 0.000 2.066 1096 A HA -0.152 nan 4.320 nan 0.000 0.218 1096 A C 1.577 179.189 177.584 0.046 0.000 1.157 1096 A CA 2.354 54.408 52.037 0.028 0.000 0.670 1096 A CB -0.772 18.353 19.000 0.208 0.000 0.804 1096 A HN 0.333 8.435 8.150 -0.081 0.000 0.453 1097 Q N -4.197 115.635 119.800 0.053 0.000 2.408 1097 Q HA -0.002 nan 4.340 nan 0.000 0.205 1097 Q C 0.561 176.571 176.000 0.018 0.000 0.919 1097 Q CA 1.119 56.941 55.803 0.032 0.000 0.932 1097 Q CB 0.961 29.706 28.738 0.012 0.000 1.058 1097 Q HN -0.459 7.751 8.270 0.090 0.114 0.517 1098 N N -1.813 116.888 118.700 0.002 0.000 2.610 1098 N HA 0.501 nan 4.740 nan 0.000 0.307 1098 N C -2.166 173.311 175.510 -0.054 0.000 1.813 1098 N CA -1.820 51.225 53.050 -0.010 0.000 0.901 1098 N CB 1.058 39.562 38.487 0.029 0.000 1.354 1098 N HN -0.453 7.718 8.380 -0.028 0.192 0.491 1099 P HA -0.177 nan 4.420 nan 0.000 0.218 1099 P C 0.814 178.103 177.300 -0.018 0.000 1.148 1099 P CA 2.601 65.677 63.100 -0.039 0.000 0.822 1099 P CB 0.008 31.714 31.700 0.010 0.000 0.784 1100 E N -1.937 118.257 120.200 -0.009 0.000 2.031 1100 E HA -0.329 nan 4.350 nan 0.000 0.193 1100 E C 2.219 178.815 176.600 -0.008 0.000 0.994 1100 E CA 3.350 59.748 56.400 -0.003 0.000 0.800 1100 E CB -1.238 28.462 29.700 -0.000 0.000 0.752 1100 E HN 0.389 8.717 8.360 -0.007 0.028 0.447 1101 L N -0.909 120.307 121.223 -0.011 0.000 2.042 1101 L HA -0.311 nan 4.340 nan 0.000 0.210 1101 L C 1.597 178.452 176.870 -0.025 0.000 1.076 1101 L CA 2.954 57.787 54.840 -0.012 0.000 0.749 1101 L CB -0.260 41.797 42.059 -0.003 0.000 0.893 1101 L HN -0.425 7.800 8.230 -0.009 0.000 0.432 1102 M N -2.417 117.155 119.600 -0.047 0.000 2.065 1102 M HA -0.538 nan 4.480 nan 0.000 0.259 1102 M C 2.623 178.914 176.300 -0.015 0.000 1.069 1102 M CA 3.015 58.283 55.300 -0.053 0.000 1.110 1102 M CB -1.417 31.131 32.600 -0.086 0.000 1.328 1102 M HN -0.068 8.124 8.290 -0.058 0.063 0.405 1103 Q N -1.687 118.111 119.800 -0.004 0.000 2.135 1103 Q HA -0.381 nan 4.340 nan 0.000 0.204 1103 Q C 2.586 178.588 176.000 0.003 0.000 0.981 1103 Q CA 3.292 59.099 55.803 0.008 0.000 0.856 1103 Q CB -0.458 28.287 28.738 0.010 0.000 0.902 1103 Q HN -0.115 8.151 8.270 -0.007 0.000 0.425 1104 K N -0.094 120.304 120.400 -0.003 0.000 2.062 1104 K HA -0.214 nan 4.320 nan 0.000 0.205 1104 K C 2.608 179.204 176.600 -0.006 0.000 1.051 1104 K CA 3.193 59.477 56.287 -0.006 0.000 0.941 1104 K CB -0.013 32.482 32.500 -0.009 0.000 0.719 1104 K HN -0.384 7.750 8.250 -0.006 0.112 0.440 1105 L N -2.123 119.096 121.223 -0.006 0.000 2.313 1105 L HA -0.190 nan 4.340 nan 0.000 0.214 1105 L C 1.534 178.407 176.870 0.005 0.000 1.119 1105 L CA 2.159 56.998 54.840 -0.003 0.000 0.809 1105 L CB -0.624 41.432 42.059 -0.004 0.000 0.933 1105 L HN 0.228 8.453 8.230 -0.009 0.000 0.449 1106 A N -0.414 122.411 122.820 0.008 0.000 1.902 1106 A HA -0.308 nan 4.320 nan 0.000 0.217 1106 A C 2.613 180.205 177.584 0.013 0.000 1.181 1106 A CA 3.159 55.206 52.037 0.016 0.000 0.623 1106 A CB -1.002 18.011 19.000 0.022 0.000 0.818 1106 A HN 0.073 8.206 8.150 0.004 0.019 0.443 1107 E N -0.021 120.183 120.200 0.007 0.000 2.077 1107 E HA -0.252 nan 4.350 nan 0.000 0.193 1107 E C 2.008 178.608 176.600 0.001 0.000 0.989 1107 E CA 2.198 58.600 56.400 0.003 0.000 0.800 1107 E CB -0.062 29.637 29.700 -0.001 0.000 0.746 1107 E HN -0.593 7.697 8.360 0.005 0.072 0.452 1108 R N -3.937 116.562 120.500 -0.003 0.000 2.357 1108 R HA -0.084 nan 4.340 nan 0.000 0.202 1108 R C -0.425 175.879 176.300 0.006 0.000 1.047 1108 R CA -0.886 55.212 56.100 -0.004 0.000 1.034 1108 R CB -0.341 29.953 30.300 -0.010 0.000 0.875 1108 R HN -0.518 7.749 8.270 -0.005 0.000 0.473 1109 N N -1.937 116.770 118.700 0.012 0.000 2.754 1109 N HA -0.332 nan 4.740 nan 0.000 0.248 1109 N C -1.331 174.192 175.510 0.023 0.000 1.093 1109 N CA 0.795 53.856 53.050 0.019 0.000 0.699 1109 N CB -0.335 38.162 38.487 0.017 0.000 1.016 1109 N HN -0.590 7.611 8.380 0.011 0.186 0.552 1110 V N -8.079 111.848 119.914 0.021 0.000 2.837 1110 V HA 0.677 nan 4.120 nan 0.000 0.310 1110 V C 0.449 176.557 176.094 0.023 0.000 1.059 1110 V CA -2.820 59.493 62.300 0.022 0.000 1.004 1110 V CB 0.945 32.781 31.823 0.022 0.000 1.045 1110 V HN -0.684 7.517 8.190 0.018 0.000 0.465 1111 T N 5.880 120.445 114.554 0.019 0.000 2.855 1111 T HA 0.109 nan 4.350 nan 0.000 0.290 1111 T C -0.764 173.932 174.700 -0.006 0.000 0.941 1111 T CA 0.905 63.013 62.100 0.013 0.000 1.030 1111 T CB -1.437 67.437 68.868 0.010 0.000 0.935 1111 T HN 0.173 8.320 8.240 0.016 0.103 0.564 1112 V N 9.219 129.131 119.914 -0.005 0.000 2.348 1112 V HA 0.323 nan 4.120 nan 0.000 0.270 1112 V C -1.103 174.968 176.094 -0.038 0.000 1.037 1112 V CA -0.666 61.621 62.300 -0.020 0.000 0.872 1112 V CB 0.107 31.918 31.823 -0.020 0.000 1.002 1112 V HN 0.698 8.781 8.190 0.009 0.112 0.464 1113 M N 8.160 127.726 119.600 -0.057 0.000 2.047 1113 M HA 0.401 nan 4.480 nan 0.000 0.342 1113 M C -1.559 174.691 176.300 -0.084 0.000 1.058 1113 M CA -1.067 54.187 55.300 -0.076 0.000 0.991 1113 M CB 1.603 34.143 32.600 -0.100 0.000 1.474 1113 M HN 0.919 9.065 8.290 -0.055 0.110 0.419 1114 A N 5.423 128.197 122.820 -0.077 0.000 2.343 1114 A HA 0.247 nan 4.320 nan 0.000 0.305 1114 A C 0.368 177.904 177.584 -0.081 0.000 1.308 1114 A CA -0.633 51.349 52.037 -0.092 0.000 0.949 1114 A CB 0.150 19.081 19.000 -0.115 0.000 1.148 1114 A HN 0.964 9.000 8.150 -0.062 0.077 0.545 1115 M N 3.935 123.478 119.600 -0.097 0.000 2.279 1115 M HA -0.376 nan 4.480 nan 0.000 0.264 1115 M C 1.164 177.466 176.300 0.002 0.000 1.062 1115 M CA 1.547 56.776 55.300 -0.117 0.000 1.099 1115 M CB -1.171 31.261 32.600 -0.280 0.000 1.394 1115 M HN 0.452 8.570 8.290 -0.098 0.114 0.426 1116 D N -2.815 117.630 120.400 0.075 0.000 2.117 1116 D HA -0.234 nan 4.640 nan 0.000 0.198 1116 D C 1.799 178.105 176.300 0.011 0.000 0.982 1116 D CA 2.461 56.461 54.000 -0.000 0.000 0.828 1116 D CB -0.709 39.720 40.800 -0.619 0.000 0.967 1116 D HN 0.272 8.641 8.370 0.035 0.022 0.464 1117 S N 0.341 116.038 115.700 -0.005 0.000 3.122 1117 S HA 0.017 nan 4.470 nan 0.000 0.249 1117 S C -0.534 174.102 174.600 0.060 0.000 1.334 1117 S CA 0.296 58.535 58.200 0.065 0.000 1.251 1117 S CB -0.391 62.862 63.200 0.088 0.000 1.034 1117 S HN -0.676 7.497 8.310 -0.052 0.107 0.478 1118 V N 3.286 123.225 119.914 0.043 0.000 2.498 1118 V HA 0.089 nan 4.120 nan 0.000 0.279 1118 V C -2.457 173.662 176.094 0.042 0.000 1.048 1118 V CA -3.138 59.178 62.300 0.026 0.000 0.967 1118 V CB -0.239 31.588 31.823 0.007 0.000 0.988 1118 V HN -0.597 7.531 8.190 0.047 0.090 0.473 1119 P HA -0.010 nan 4.420 nan 0.000 0.260 1119 P C -0.592 176.726 177.300 0.030 0.000 1.185 1119 P CA -0.030 63.088 63.100 0.031 0.000 0.763 1119 P CB 0.545 32.255 31.700 0.017 0.000 0.776 1120 R N 3.227 123.750 120.500 0.038 0.000 4.576 1120 R HA 0.001 nan 4.340 nan 0.000 0.185 1120 R C -0.552 175.765 176.300 0.029 0.000 1.837 1120 R CA -0.732 55.392 56.100 0.040 0.000 1.520 1120 R CB -2.494 27.836 30.300 0.049 0.000 1.403 1120 R HN 0.439 8.733 8.270 0.040 0.000 0.831 1121 I N -4.660 115.923 120.570 0.021 0.000 3.023 1121 I HA 0.434 nan 4.170 nan 0.000 0.312 1121 I C 1.014 177.140 176.117 0.014 0.000 1.056 1121 I CA -2.555 58.755 61.300 0.016 0.000 1.033 1121 I CB 2.917 40.924 38.000 0.010 0.000 1.233 1121 I HN -0.346 7.830 8.210 0.019 0.045 0.462 1122 S N 2.354 118.062 115.700 0.012 0.000 2.414 1122 S HA -0.406 nan 4.470 nan 0.000 0.238 1122 S C 1.842 176.447 174.600 0.008 0.000 1.055 1122 S CA 3.089 61.295 58.200 0.011 0.000 1.174 1122 S CB -0.623 62.582 63.200 0.009 0.000 1.087 1122 S HN 0.527 8.843 8.310 0.011 0.000 0.428 1123 R N 0.309 120.812 120.500 0.004 0.000 2.127 1123 R HA -0.203 nan 4.340 nan 0.000 0.238 1123 R C 1.614 177.912 176.300 -0.003 0.000 1.134 1123 R CA 2.140 58.239 56.100 -0.001 0.000 0.975 1123 R CB -0.757 29.542 30.300 -0.003 0.000 0.865 1123 R HN 0.315 8.588 8.270 0.004 0.000 0.447 1124 A N -1.752 121.067 122.820 -0.001 0.000 2.123 1124 A HA 0.056 nan 4.320 nan 0.000 0.214 1124 A C 1.789 179.372 177.584 -0.001 0.000 1.152 1124 A CA 1.620 53.654 52.037 -0.005 0.000 0.728 1124 A CB -0.458 18.541 19.000 -0.001 0.000 0.814 1124 A HN -0.426 7.684 8.150 0.003 0.042 0.464 1125 Q N -1.561 118.244 119.800 0.008 0.000 2.181 1125 Q HA -0.382 nan 4.340 nan 0.000 0.205 1125 Q C 1.843 177.847 176.000 0.007 0.000 0.980 1125 Q CA 2.394 58.206 55.803 0.015 0.000 0.862 1125 Q CB -0.803 27.948 28.738 0.021 0.000 0.905 1125 Q HN -0.239 7.893 8.270 0.009 0.143 0.429 1126 S N -2.420 113.277 115.700 -0.004 0.000 2.402 1126 S HA -0.240 nan 4.470 nan 0.000 0.229 1126 S C 1.403 175.982 174.600 -0.035 0.000 1.021 1126 S CA 2.261 60.452 58.200 -0.016 0.000 0.974 1126 S CB -0.130 63.059 63.200 -0.018 0.000 0.800 1126 S HN -0.584 7.714 8.310 -0.004 0.010 0.484 1127 L N -1.416 119.784 121.223 -0.038 0.000 2.270 1127 L HA -0.016 nan 4.340 nan 0.000 0.210 1127 L C 0.214 177.053 176.870 -0.052 0.000 1.104 1127 L CA 0.799 55.602 54.840 -0.062 0.000 0.804 1127 L CB 0.215 42.238 42.059 -0.060 0.000 0.937 1127 L HN -0.531 7.578 8.230 -0.027 0.106 0.450 1128 D N 0.476 120.868 120.400 -0.012 0.000 2.429 1128 D HA -0.105 nan 4.640 nan 0.000 0.253 1128 D C 0.090 176.419 176.300 0.050 0.000 1.294 1128 D CA -0.291 53.722 54.000 0.022 0.000 1.063 1128 D CB -0.197 40.627 40.800 0.039 0.000 1.096 1128 D HN -0.112 8.058 8.370 -0.008 0.196 0.516 1129 A N 6.842 129.686 122.820 0.040 0.000 1.969 1129 A HA -0.229 nan 4.320 nan 0.000 0.218 1129 A C 1.466 179.226 177.584 0.293 0.000 1.169 1129 A CA 2.936 55.029 52.037 0.092 0.000 0.635 1129 A CB -0.368 18.589 19.000 -0.071 0.000 0.810 1129 A HN 0.190 8.312 8.150 -0.007 0.024 0.445 1130 L N -1.181 120.225 121.223 0.305 0.000 1.971 1130 L HA -0.406 nan 4.340 nan 0.000 0.215 1130 L C 1.831 178.853 176.870 0.253 0.000 1.072 1130 L CA 3.015 58.047 54.840 0.320 0.000 0.758 1130 L CB -0.437 41.748 42.059 0.210 0.000 0.889 1130 L HN -0.327 8.065 8.230 0.207 -0.038 0.433 1131 S N -0.932 114.873 115.700 0.176 0.000 2.383 1131 S HA -0.287 nan 4.470 nan 0.000 0.227 1131 S C 2.389 177.072 174.600 0.137 0.000 1.026 1131 S CA 4.170 62.454 58.200 0.140 0.000 0.981 1131 S CB -0.484 62.778 63.200 0.104 0.000 0.818 1131 S HN 0.025 8.770 8.310 0.156 -0.341 0.472 1132 S N 3.225 119.006 115.700 0.135 0.000 2.383 1132 S HA -0.234 nan 4.470 nan 0.000 0.227 1132 S C 1.777 176.464 174.600 0.146 0.000 1.026 1132 S CA 4.023 62.292 58.200 0.115 0.000 0.981 1132 S CB -0.217 63.035 63.200 0.086 0.000 0.818 1132 S HN -0.285 8.105 8.310 0.133 0.000 0.472 1133 M N 0.588 120.320 119.600 0.221 0.000 2.193 1133 M HA -0.102 nan 4.480 nan 0.000 0.265 1133 M C 2.068 178.484 176.300 0.193 0.000 1.071 1133 M CA 0.686 56.130 55.300 0.240 0.000 1.140 1133 M CB -0.982 31.863 32.600 0.408 0.000 1.369 1133 M HN 0.205 8.657 8.290 0.270 0.000 0.423 1134 A N 0.263 123.198 122.820 0.192 0.000 1.917 1134 A HA -0.436 nan 4.320 nan 0.000 0.219 1134 A C 1.946 179.606 177.584 0.127 0.000 1.182 1134 A CA 3.564 55.688 52.037 0.145 0.000 0.633 1134 A CB -1.027 18.057 19.000 0.139 0.000 0.819 1134 A HN 0.452 8.741 8.150 0.230 0.000 0.448 1135 N N -1.108 117.667 118.700 0.125 0.000 2.058 1135 N HA -0.255 nan 4.740 nan 0.000 0.191 1135 N C 2.096 177.682 175.510 0.127 0.000 1.037 1135 N CA 3.086 56.206 53.050 0.116 0.000 0.848 1135 N CB -0.086 38.460 38.487 0.098 0.000 1.021 1135 N HN -0.208 8.046 8.380 0.131 0.205 0.422 1136 I N -0.145 120.487 120.570 0.103 0.000 2.208 1136 I HA -0.524 nan 4.170 nan 0.000 0.245 1136 I C 1.544 177.738 176.117 0.129 0.000 1.097 1136 I CA 3.837 65.188 61.300 0.084 0.000 1.363 1136 I CB -0.360 37.673 38.000 0.056 0.000 1.051 1136 I HN -0.003 8.267 8.210 0.098 0.000 0.413 1137 A N -1.277 121.618 122.820 0.125 0.000 1.969 1137 A HA -0.220 nan 4.320 nan 0.000 0.218 1137 A C 2.194 179.853 177.584 0.125 0.000 1.169 1137 A CA 3.139 55.248 52.037 0.119 0.000 0.635 1137 A CB -1.088 17.975 19.000 0.104 0.000 0.810 1137 A HN 0.313 8.441 8.150 0.124 0.096 0.445 1138 G N -0.910 107.968 108.800 0.130 0.000 2.414 1138 G HA2 -0.308 nan 3.960 nan 0.000 0.215 1138 G HA3 -0.308 nan 3.960 nan 0.000 0.215 1138 G C 0.662 175.638 174.900 0.127 0.000 1.188 1138 G CA 1.721 46.891 45.100 0.115 0.000 0.783 1138 G HN 0.003 8.238 8.290 0.134 0.135 0.537 1139 Y N 3.967 124.285 120.300 0.030 0.000 2.128 1139 Y HA -0.399 nan 4.550 nan 0.000 0.284 1139 Y C 1.827 177.730 175.900 0.005 0.000 1.154 1139 Y CA 3.599 61.705 58.100 0.009 0.000 1.149 1139 Y CB 0.312 38.778 38.460 0.011 0.000 0.976 1139 Y HN -0.051 8.394 8.280 0.275 0.000 0.505 1140 R N -1.003 119.654 120.500 0.263 0.000 2.189 1140 R HA -0.353 nan 4.340 nan 0.000 0.223 1140 R C 1.945 178.316 176.300 0.119 0.000 1.092 1140 R CA 1.441 57.647 56.100 0.176 0.000 0.989 1140 R CB -0.921 29.466 30.300 0.146 0.000 0.876 1140 R HN 0.294 8.562 8.270 0.271 0.164 0.457 1141 A N 0.608 123.487 122.820 0.099 0.000 1.897 1141 A HA -0.142 nan 4.320 nan 0.000 0.215 1141 A C 2.276 179.897 177.584 0.061 0.000 1.181 1141 A CA 3.002 55.088 52.037 0.082 0.000 0.620 1141 A CB -0.843 18.194 19.000 0.061 0.000 0.821 1141 A HN 0.249 8.235 8.150 0.107 0.228 0.443 1142 I N -1.752 118.827 120.570 0.014 0.000 2.226 1142 I HA -0.412 nan 4.170 nan 0.000 0.245 1142 I C 2.020 178.088 176.117 -0.082 0.000 1.100 1142 I CA 3.081 64.358 61.300 -0.039 0.000 1.374 1142 I CB -1.154 36.721 38.000 -0.209 0.000 1.057 1142 I HN -0.245 7.971 8.210 0.009 0.000 0.413 1143 V N 1.404 121.276 119.914 -0.071 0.000 2.219 1143 V HA -0.525 nan 4.120 nan 0.000 0.248 1143 V C 2.383 178.542 176.094 0.109 0.000 1.053 1143 V CA 5.100 67.396 62.300 -0.007 0.000 1.009 1143 V CB -0.744 31.112 31.823 0.054 0.000 0.636 1143 V HN 0.113 8.199 8.190 -0.063 0.066 0.445 1144 E N -2.723 117.567 120.200 0.151 0.000 2.338 1144 E HA -0.302 nan 4.350 nan 0.000 0.197 1144 E C 2.326 179.049 176.600 0.205 0.000 1.007 1144 E CA 2.373 58.914 56.400 0.235 0.000 0.849 1144 E CB -0.687 29.210 29.700 0.329 0.000 0.774 1144 E HN -0.058 8.381 8.360 0.132 0.000 0.506 1145 A N -0.204 122.707 122.820 0.151 0.000 1.845 1145 A HA -0.240 nan 4.320 nan 0.000 0.215 1145 A C 1.831 179.586 177.584 0.284 0.000 1.195 1145 A CA 3.067 55.183 52.037 0.131 0.000 0.616 1145 A CB -0.822 18.250 19.000 0.119 0.000 0.832 1145 A HN 0.267 8.477 8.150 0.132 0.019 0.443 1146 A N -2.969 120.115 122.820 0.441 0.000 2.076 1146 A HA -0.307 nan 4.320 nan 0.000 0.220 1146 A C 1.434 179.205 177.584 0.312 0.000 1.160 1146 A CA 2.326 54.674 52.037 0.518 0.000 0.653 1146 A CB -0.760 18.439 19.000 0.332 0.000 0.801 1146 A HN -0.216 8.157 8.150 0.372 0.000 0.455 1147 H N -1.968 117.205 119.070 0.171 0.000 2.389 1147 H HA -0.160 nan 4.556 nan 0.000 0.299 1147 H C 1.143 176.548 175.328 0.128 0.000 1.081 1147 H CA 2.723 58.849 56.048 0.130 0.000 1.345 1147 H CB 0.636 30.477 29.762 0.132 0.000 1.393 1147 H HN -0.351 7.973 8.280 0.331 0.155 0.520 1148 E N -4.011 116.246 120.200 0.095 0.000 2.498 1148 E HA 0.056 nan 4.350 nan 0.000 0.203 1148 E C -0.158 176.518 176.600 0.128 0.000 1.013 1148 E CA -1.299 55.121 56.400 0.033 0.000 0.927 1148 E CB 0.791 30.509 29.700 0.029 0.000 1.012 1148 E HN -0.521 7.865 8.360 0.200 0.094 0.482 1149 F N 0.965 120.919 119.950 0.007 0.000 2.506 1149 F HA -0.129 nan 4.527 nan 0.000 0.351 1149 F C 0.814 176.610 175.800 -0.006 0.000 1.136 1149 F CA 0.269 58.266 58.000 -0.005 0.000 1.298 1149 F CB 0.619 39.639 39.000 0.032 0.000 1.145 1149 F HN -0.368 8.019 8.300 0.336 0.114 0.593 1150 G N 4.115 112.920 108.800 0.009 0.000 2.394 1150 G HA2 -0.108 nan 3.960 nan 0.000 0.215 1150 G HA3 -0.108 nan 3.960 nan 0.000 0.215 1150 G C -0.560 174.092 174.900 -0.414 0.000 1.165 1150 G CA 0.566 45.560 45.100 -0.176 0.000 0.784 1150 G HN 0.285 8.755 8.290 0.300 0.000 0.535 1151 R N -1.909 117.953 120.500 -1.064 0.000 2.843 1151 R HA 0.172 nan 4.340 nan 0.000 0.232 1151 R C -1.114 174.822 176.300 -0.607 0.000 1.305 1151 R CA -1.503 54.119 56.100 -0.796 0.000 1.096 1151 R CB 2.329 32.215 30.300 -0.690 0.000 1.455 1151 R HN -0.619 6.429 8.270 -2.038 0.000 0.520 1152 F N -2.139 117.576 119.950 -0.392 0.000 2.382 1152 F HA 0.066 nan 4.527 nan 0.000 0.331 1152 F C 0.641 176.509 175.800 0.114 0.000 1.121 1152 F CA -1.582 56.369 58.000 -0.081 0.000 1.183 1152 F CB 0.339 39.346 39.000 0.013 0.000 1.207 1152 F HN 0.163 8.444 8.300 -0.032 0.000 0.555 1153 F N -0.171 120.004 119.950 0.376 0.000 2.074 1153 F HA -0.142 nan 4.527 nan 0.000 0.293 1153 F C 0.866 176.805 175.800 0.232 0.000 1.116 1153 F CA 3.447 61.642 58.000 0.326 0.000 1.212 1153 F CB 0.047 39.168 39.000 0.202 0.000 0.998 1153 F HN 0.175 8.976 8.300 0.835 0.000 0.471 1154 T N 1.446 116.278 114.554 0.463 0.000 2.891 1154 T HA -0.090 nan 4.350 nan 0.000 0.258 1154 T C 0.508 175.394 174.700 0.310 0.000 0.942 1154 T CA 0.815 63.113 62.100 0.329 0.000 1.200 1154 T CB -1.711 67.327 68.868 0.284 0.000 0.922 1154 T HN -0.211 8.317 8.240 0.480 0.000 0.585 1155 G N 4.467 113.374 108.800 0.178 0.000 2.313 1155 G HA2 -0.092 nan 3.960 nan 0.000 0.250 1155 G HA3 -0.092 nan 3.960 nan 0.000 0.250 1155 G C -1.819 173.111 174.900 0.049 0.000 1.281 1155 G CA 0.177 45.320 45.100 0.072 0.000 0.917 1155 G HN -0.124 8.270 8.290 0.173 0.000 0.501 1156 Q N 1.941 121.719 119.800 -0.036 0.000 2.352 1156 Q HA 0.039 nan 4.340 nan 0.000 0.270 1156 Q C -1.890 174.053 176.000 -0.094 0.000 1.006 1156 Q CA -1.844 53.941 55.803 -0.029 0.000 0.880 1156 Q CB 2.854 31.620 28.738 0.046 0.000 1.392 1156 Q HN -0.234 7.960 8.270 -0.126 0.000 0.401 1157 I N 3.568 124.106 120.570 -0.054 0.000 2.416 1157 I HA 0.266 nan 4.170 nan 0.000 0.288 1157 I C -0.870 175.219 176.117 -0.048 0.000 1.051 1157 I CA -0.123 61.140 61.300 -0.061 0.000 1.375 1157 I CB 0.278 38.255 38.000 -0.038 0.000 1.407 1157 I HN 0.155 8.350 8.210 -0.026 0.000 0.516 1158 T N 7.108 121.621 114.554 -0.068 0.000 2.888 1158 T HA 0.274 nan 4.350 nan 0.000 0.283 1158 T C 0.128 174.813 174.700 -0.024 0.000 1.013 1158 T CA -0.929 61.149 62.100 -0.038 0.000 0.938 1158 T CB 1.532 70.363 68.868 -0.061 0.000 1.298 1158 T HN 0.297 8.482 8.240 -0.091 0.000 0.580 1159 A N -0.478 122.337 122.820 -0.009 0.000 2.119 1159 A HA -0.023 nan 4.320 nan 0.000 0.217 1159 A C 0.298 177.872 177.584 -0.016 0.000 1.153 1159 A CA 1.382 53.414 52.037 -0.008 0.000 0.692 1159 A CB -0.409 18.591 19.000 0.000 0.000 0.799 1159 A HN 0.576 8.725 8.150 -0.002 0.000 0.458 1160 A N -1.835 120.971 122.820 -0.024 0.000 1.944 1160 A HA 0.256 nan 4.320 nan 0.000 0.207 1160 A C 0.631 178.189 177.584 -0.042 0.000 1.265 1160 A CA 0.024 52.044 52.037 -0.029 0.000 0.712 1160 A CB 1.213 20.195 19.000 -0.029 0.000 0.915 1160 A HN -0.056 8.057 8.150 -0.025 0.022 0.470 1161 G N -1.598 107.164 108.800 -0.062 0.000 2.690 1161 G HA2 0.217 nan 3.960 nan 0.000 0.291 1161 G HA3 0.217 nan 3.960 nan 0.000 0.291 1161 G C -2.708 172.128 174.900 -0.107 0.000 1.403 1161 G CA -0.375 44.679 45.100 -0.077 0.000 0.864 1161 G HN -0.360 7.889 8.290 -0.068 0.000 0.480 1162 K N 0.953 121.292 120.400 -0.101 0.000 2.349 1162 K HA 0.158 nan 4.320 nan 0.000 0.288 1162 K C -0.707 175.793 176.600 -0.168 0.000 1.058 1162 K CA 0.108 56.325 56.287 -0.115 0.000 0.953 1162 K CB 0.453 32.904 32.500 -0.080 0.000 0.997 1162 K HN 0.089 8.289 8.250 -0.083 0.000 0.477 1163 V N 8.458 128.233 119.914 -0.231 0.000 2.364 1163 V HA 0.323 nan 4.120 nan 0.000 0.272 1163 V C -1.406 174.588 176.094 -0.167 0.000 1.036 1163 V CA -3.279 58.838 62.300 -0.304 0.000 0.880 1163 V CB 0.300 31.764 31.823 -0.597 0.000 0.991 1163 V HN 0.296 8.355 8.190 -0.218 0.000 0.460 1164 P HA 0.285 nan 4.420 nan 0.000 0.275 1164 P C -2.404 174.887 177.300 -0.015 0.000 1.227 1164 P CA -2.182 60.885 63.100 -0.055 0.000 0.781 1164 P CB -0.180 31.490 31.700 -0.049 0.000 0.906 1165 P HA -0.105 nan 4.420 nan 0.000 0.263 1165 P C -1.272 176.066 177.300 0.064 0.000 1.195 1165 P CA -0.189 62.950 63.100 0.065 0.000 0.762 1165 P CB 0.236 31.972 31.700 0.059 0.000 0.799 1166 A N 5.148 128.026 122.820 0.097 0.000 2.498 1166 A HA -0.083 nan 4.320 nan 0.000 0.239 1166 A C -0.720 176.859 177.584 -0.007 0.000 1.068 1166 A CA 0.147 52.220 52.037 0.060 0.000 0.766 1166 A CB 0.945 19.956 19.000 0.019 0.000 1.003 1166 A HN 0.022 8.263 8.150 0.152 0.000 0.497 1167 K N 3.557 123.936 120.400 -0.035 0.000 2.284 1167 K HA 0.304 nan 4.320 nan 0.000 0.287 1167 K C -1.331 175.203 176.600 -0.110 0.000 1.081 1167 K CA -0.223 56.033 56.287 -0.051 0.000 0.910 1167 K CB 0.661 33.138 32.500 -0.038 0.000 1.088 1167 K HN -0.014 8.561 8.250 -0.020 -0.337 0.478 1168 V N 6.788 126.652 119.914 -0.083 0.000 2.350 1168 V HA 0.471 nan 4.120 nan 0.000 0.276 1168 V C -1.463 174.592 176.094 -0.064 0.000 1.028 1168 V CA -0.925 61.314 62.300 -0.103 0.000 0.860 1168 V CB 0.799 32.611 31.823 -0.019 0.000 0.990 1168 V HN 0.833 9.003 8.190 -0.033 0.000 0.453 1169 M N 8.356 127.905 119.600 -0.085 0.000 2.061 1169 M HA 0.472 nan 4.480 nan 0.000 0.346 1169 M C -1.627 174.638 176.300 -0.058 0.000 1.112 1169 M CA -0.744 54.518 55.300 -0.063 0.000 1.021 1169 M CB 1.823 34.381 32.600 -0.070 0.000 1.530 1169 M HN 0.723 8.843 8.290 -0.119 0.098 0.437 1170 V N 8.405 128.302 119.914 -0.029 0.000 2.488 1170 V HA 0.352 nan 4.120 nan 0.000 0.277 1170 V C -1.229 174.863 176.094 -0.005 0.000 1.046 1170 V CA 0.286 62.578 62.300 -0.014 0.000 0.986 1170 V CB -0.277 31.556 31.823 0.016 0.000 0.989 1170 V HN 0.709 8.778 8.190 -0.022 0.108 0.475 1171 I N 4.584 125.149 120.570 -0.009 0.000 2.474 1171 I HA 0.447 nan 4.170 nan 0.000 0.294 1171 I C -0.504 175.630 176.117 0.028 0.000 1.005 1171 I CA -1.483 59.841 61.300 0.040 0.000 1.113 1171 I CB 2.875 40.852 38.000 -0.039 0.000 1.289 1171 I HN 0.850 9.044 8.210 -0.027 0.000 0.436 1172 G N 5.551 114.375 108.800 0.041 0.000 2.368 1172 G HA2 -0.403 nan 3.960 nan 0.000 0.290 1172 G HA3 -0.403 nan 3.960 nan 0.000 0.290 1172 G C -1.002 173.926 174.900 0.045 0.000 1.098 1172 G CA -0.000 45.120 45.100 0.034 0.000 1.073 1172 G HN 0.588 8.900 8.290 0.037 0.000 0.511 1173 A N 1.007 123.865 122.820 0.064 0.000 2.785 1173 A HA 0.050 nan 4.320 nan 0.000 0.294 1173 A C 0.135 177.776 177.584 0.095 0.000 1.597 1173 A CA -0.965 51.129 52.037 0.095 0.000 1.283 1173 A CB -0.602 18.498 19.000 0.168 0.000 1.088 1173 A HN -0.374 7.899 8.150 0.057 -0.089 0.568 1174 G N 2.346 111.193 108.800 0.078 0.000 2.588 1174 G HA2 0.036 nan 3.960 nan 0.000 0.278 1174 G HA3 0.036 nan 3.960 nan 0.000 0.278 1174 G C 0.006 174.957 174.900 0.084 0.000 1.307 1174 G CA -1.188 43.959 45.100 0.078 0.000 1.016 1174 G HN -0.298 7.973 8.290 0.068 0.059 0.503 1175 V N 0.641 120.605 119.914 0.084 0.000 2.392 1175 V HA -0.390 nan 4.120 nan 0.000 0.249 1175 V C 1.793 177.941 176.094 0.091 0.000 1.059 1175 V CA 3.291 65.643 62.300 0.085 0.000 1.051 1175 V CB -0.531 31.342 31.823 0.085 0.000 0.658 1175 V HN 0.485 8.726 8.190 0.084 0.000 0.455 1176 A N -1.260 121.616 122.820 0.093 0.000 1.917 1176 A HA -0.373 nan 4.320 nan 0.000 0.219 1176 A C 2.029 179.664 177.584 0.086 0.000 1.182 1176 A CA 3.205 55.298 52.037 0.093 0.000 0.633 1176 A CB -0.930 18.122 19.000 0.087 0.000 0.819 1176 A HN 0.186 8.390 8.150 0.093 0.002 0.448 1177 G N -1.965 106.882 108.800 0.079 0.000 2.418 1177 G HA2 -0.280 nan 3.960 nan 0.000 0.217 1177 G HA3 -0.280 nan 3.960 nan 0.000 0.217 1177 G C 1.282 176.234 174.900 0.086 0.000 1.158 1177 G CA 1.799 46.944 45.100 0.075 0.000 0.771 1177 G HN -0.406 7.803 8.290 0.080 0.129 0.545 1178 L N 1.757 123.037 121.223 0.094 0.000 2.017 1178 L HA -0.387 nan 4.340 nan 0.000 0.208 1178 L C 2.060 178.984 176.870 0.091 0.000 1.073 1178 L CA 2.856 57.754 54.840 0.096 0.000 0.745 1178 L CB -0.475 41.638 42.059 0.091 0.000 0.894 1178 L HN -0.495 7.695 8.230 0.093 0.095 0.432 1179 A N -1.698 121.180 122.820 0.098 0.000 1.972 1179 A HA -0.354 nan 4.320 nan 0.000 0.219 1179 A C 1.808 179.453 177.584 0.101 0.000 1.169 1179 A CA 2.915 55.021 52.037 0.116 0.000 0.635 1179 A CB -0.997 18.086 19.000 0.139 0.000 0.810 1179 A HN 0.315 8.523 8.150 0.097 0.000 0.446 1180 A N -0.825 122.042 122.820 0.079 0.000 1.908 1180 A HA -0.347 nan 4.320 nan 0.000 0.218 1180 A C 1.907 179.508 177.584 0.029 0.000 1.181 1180 A CA 3.072 55.134 52.037 0.041 0.000 0.627 1180 A CB -0.897 18.131 19.000 0.047 0.000 0.818 1180 A HN 0.255 8.350 8.150 0.086 0.107 0.445 1181 I N -2.139 118.463 120.570 0.054 0.000 2.163 1181 I HA -0.614 nan 4.170 nan 0.000 0.243 1181 I C 1.922 178.067 176.117 0.047 0.000 1.085 1181 I CA 3.999 65.335 61.300 0.059 0.000 1.347 1181 I CB -0.383 37.664 38.000 0.079 0.000 1.044 1181 I HN -0.048 8.202 8.210 0.066 0.000 0.408 1182 G N -1.915 106.917 108.800 0.054 0.000 2.440 1182 G HA2 -0.416 nan 3.960 nan 0.000 0.218 1182 G HA3 -0.416 nan 3.960 nan 0.000 0.218 1182 G C 0.680 175.581 174.900 0.003 0.000 1.154 1182 G CA 2.163 47.295 45.100 0.053 0.000 0.767 1182 G HN -0.206 8.125 8.290 0.069 0.000 0.552 1183 A N 1.955 124.730 122.820 -0.075 0.000 1.855 1183 A HA -0.194 nan 4.320 nan 0.000 0.215 1183 A C 1.757 179.178 177.584 -0.272 0.000 1.191 1183 A CA 2.976 54.821 52.037 -0.320 0.000 0.613 1183 A CB -0.708 17.953 19.000 -0.565 0.000 0.829 1183 A HN 0.168 8.209 8.150 -0.027 0.093 0.442 1184 A N -1.520 121.209 122.820 -0.152 0.000 1.908 1184 A HA -0.407 nan 4.320 nan 0.000 0.218 1184 A C 2.014 179.623 177.584 0.040 0.000 1.181 1184 A CA 3.175 55.199 52.037 -0.022 0.000 0.627 1184 A CB -0.893 18.216 19.000 0.182 0.000 0.818 1184 A HN 0.159 8.250 8.150 -0.099 0.000 0.445 1185 N N -1.815 116.903 118.700 0.030 0.000 2.120 1185 N HA -0.260 nan 4.740 nan 0.000 0.188 1185 N C 2.438 177.965 175.510 0.028 0.000 1.024 1185 N CA 3.017 56.094 53.050 0.045 0.000 0.852 1185 N CB -0.017 38.499 38.487 0.048 0.000 1.003 1185 N HN 0.066 8.456 8.380 0.018 0.000 0.424 1186 S N 1.658 117.355 115.700 -0.004 0.000 2.353 1186 S HA -0.242 nan 4.470 nan 0.000 0.222 1186 S C 1.547 176.137 174.600 -0.016 0.000 1.035 1186 S CA 3.036 61.232 58.200 -0.007 0.000 1.025 1186 S CB 0.141 63.331 63.200 -0.017 0.000 0.902 1186 S HN -0.322 7.973 8.310 -0.023 0.000 0.440 1187 L N -2.057 119.125 121.223 -0.067 0.000 2.353 1187 L HA -0.209 nan 4.340 nan 0.000 0.220 1187 L C 0.627 177.543 176.870 0.076 0.000 1.133 1187 L CA 1.340 56.158 54.840 -0.037 0.000 0.798 1187 L CB 0.305 42.252 42.059 -0.186 0.000 0.922 1187 L HN -0.258 7.888 8.230 -0.139 0.000 0.445 1188 G N -4.828 104.028 108.800 0.094 0.000 2.167 1188 G HA2 -0.381 nan 3.960 nan 0.000 0.194 1188 G HA3 -0.381 nan 3.960 nan 0.000 0.194 1188 G C -1.648 173.347 174.900 0.158 0.000 1.027 1188 G CA -0.373 44.796 45.100 0.114 0.000 0.717 1188 G HN -0.333 7.838 8.290 0.070 0.161 0.501 1189 A N -1.107 121.829 122.820 0.194 0.000 2.282 1189 A HA 0.751 nan 4.320 nan 0.000 0.319 1189 A C -0.707 176.950 177.584 0.122 0.000 1.121 1189 A CA -2.360 49.799 52.037 0.203 0.000 0.836 1189 A CB 2.090 21.296 19.000 0.344 0.000 1.146 1189 A HN -0.301 7.955 8.150 0.177 0.000 0.494 1190 I N 2.132 122.752 120.570 0.082 0.000 2.389 1190 I HA -0.093 nan 4.170 nan 0.000 0.295 1190 I C -1.027 175.119 176.117 0.047 0.000 1.117 1190 I CA 0.585 61.917 61.300 0.054 0.000 1.317 1190 I CB -0.523 37.496 38.000 0.033 0.000 1.431 1190 I HN 0.370 8.625 8.210 0.076 0.000 0.521 1191 V N 7.242 127.190 119.914 0.057 0.000 2.644 1191 V HA 0.613 nan 4.120 nan 0.000 0.295 1191 V C -0.613 175.503 176.094 0.038 0.000 1.053 1191 V CA -1.314 61.018 62.300 0.052 0.000 0.987 1191 V CB 0.709 32.573 31.823 0.069 0.000 1.006 1191 V HN 0.106 8.334 8.190 0.062 0.000 0.472 1192 R N 1.488 121.999 120.500 0.018 0.000 2.774 1192 R HA 0.915 nan 4.340 nan 0.000 0.272 1192 R C -2.273 174.013 176.300 -0.024 0.000 1.000 1192 R CA -1.325 54.775 56.100 -0.001 0.000 0.906 1192 R CB 5.263 35.548 30.300 -0.024 0.000 1.227 1192 R HN 0.863 9.140 8.270 0.012 0.000 0.468 1193 A N -0.213 122.548 122.820 -0.098 0.000 2.574 1193 A HA 0.855 nan 4.320 nan 0.000 0.297 1193 A C -2.993 174.235 177.584 -0.594 0.000 1.062 1193 A CA -0.767 51.152 52.037 -0.198 0.000 0.686 1193 A CB 4.085 23.052 19.000 -0.055 0.000 1.285 1193 A HN 0.724 8.803 8.150 -0.117 0.000 0.403 1194 F N 1.080 120.684 119.950 -0.576 0.000 2.588 1194 F HA 0.758 nan 4.527 nan 0.000 0.310 1194 F C -2.751 172.931 175.800 -0.197 0.000 1.082 1194 F CA -1.542 56.089 58.000 -0.615 0.000 0.929 1194 F CB 4.136 42.993 39.000 -0.238 0.000 1.254 1194 F HN 0.358 8.599 8.300 -0.098 0.000 0.455 1195 D N 3.982 123.975 120.400 -0.678 0.000 2.755 1195 D HA 0.096 nan 4.640 nan 0.000 0.277 1195 D C -1.334 174.743 176.300 -0.372 0.000 1.261 1195 D CA -0.728 53.044 54.000 -0.381 0.000 0.759 1195 D CB 3.348 44.177 40.800 0.048 0.000 1.279 1195 D HN 0.290 8.169 8.370 -0.818 0.000 0.420 1196 T N 0.183 114.646 114.554 -0.151 0.000 2.777 1196 T HA -0.075 nan 4.350 nan 0.000 0.266 1196 T C 0.749 175.465 174.700 0.027 0.000 1.040 1196 T CA 2.115 64.227 62.100 0.019 0.000 1.141 1196 T CB 0.071 68.966 68.868 0.045 0.000 0.868 1196 T HN 0.227 8.411 8.240 -0.093 0.000 0.444 1197 R N 1.945 122.460 120.500 0.025 0.000 2.288 1197 R HA 0.344 nan 4.340 nan 0.000 0.330 1197 R C -0.283 175.991 176.300 -0.044 0.000 1.069 1197 R CA -1.743 54.359 56.100 0.004 0.000 0.941 1197 R CB -0.143 30.165 30.300 0.013 0.000 0.998 1197 R HN -0.516 8.124 8.270 0.031 -0.351 0.452 1198 P HA -0.124 nan 4.420 nan 0.000 0.221 1198 P C 0.965 178.158 177.300 -0.178 0.000 1.145 1198 P CA 2.188 65.186 63.100 -0.170 0.000 0.795 1198 P CB 0.176 31.820 31.700 -0.093 0.000 0.775 1199 E N -1.925 118.217 120.200 -0.097 0.000 2.209 1199 E HA -0.220 nan 4.350 nan 0.000 0.196 1199 E C 1.683 178.237 176.600 -0.076 0.000 0.993 1199 E CA 2.704 59.063 56.400 -0.069 0.000 0.819 1199 E CB -0.917 28.767 29.700 -0.027 0.000 0.745 1199 E HN 0.580 8.860 8.360 -0.064 0.042 0.477 1200 V N -7.864 111.991 119.914 -0.098 0.000 3.406 1200 V HA 0.090 nan 4.120 nan 0.000 0.263 1200 V C 1.064 177.095 176.094 -0.104 0.000 1.172 1200 V CA 1.480 63.753 62.300 -0.045 0.000 1.140 1200 V CB -0.858 31.000 31.823 0.059 0.000 0.784 1200 V HN -0.703 7.369 8.190 -0.122 0.045 0.467 1201 K N 0.571 120.766 120.400 -0.342 0.000 2.097 1201 K HA -0.366 nan 4.320 nan 0.000 0.206 1201 K C 1.947 178.472 176.600 -0.125 0.000 1.049 1201 K CA 3.915 59.933 56.287 -0.447 0.000 0.933 1201 K CB -0.593 31.532 32.500 -0.625 0.000 0.717 1201 K HN -0.313 7.667 8.250 -0.349 0.060 0.442 1202 E N -2.140 118.004 120.200 -0.092 0.000 2.058 1202 E HA -0.384 nan 4.350 nan 0.000 0.194 1202 E C 2.563 179.169 176.600 0.009 0.000 0.997 1202 E CA 3.553 59.935 56.400 -0.031 0.000 0.801 1202 E CB -1.139 28.545 29.700 -0.027 0.000 0.746 1202 E HN 0.101 8.387 8.360 -0.123 0.000 0.450 1203 Q N -0.541 119.270 119.800 0.018 0.000 2.079 1203 Q HA -0.240 nan 4.340 nan 0.000 0.200 1203 Q C 2.208 178.254 176.000 0.076 0.000 0.974 1203 Q CA 3.047 58.878 55.803 0.046 0.000 0.840 1203 Q CB -0.374 28.394 28.738 0.050 0.000 0.898 1203 Q HN -0.169 8.101 8.270 0.001 0.000 0.430 1204 V N 0.540 120.520 119.914 0.111 0.000 2.287 1204 V HA -0.526 nan 4.120 nan 0.000 0.248 1204 V C 2.403 178.578 176.094 0.135 0.000 1.053 1204 V CA 4.378 66.779 62.300 0.169 0.000 1.027 1204 V CB -0.709 31.317 31.823 0.338 0.000 0.646 1204 V HN -0.063 8.123 8.190 0.096 0.061 0.447 1205 Q N -2.088 117.781 119.800 0.114 0.000 2.119 1205 Q HA -0.289 nan 4.340 nan 0.000 0.201 1205 Q C 2.822 178.864 176.000 0.070 0.000 0.972 1205 Q CA 3.073 58.931 55.803 0.092 0.000 0.847 1205 Q CB -0.218 28.563 28.738 0.071 0.000 0.903 1205 Q HN 0.271 8.600 8.270 0.098 0.000 0.433 1206 S N 0.356 116.092 115.700 0.060 0.000 2.345 1206 S HA -0.197 nan 4.470 nan 0.000 0.219 1206 S C 1.185 175.818 174.600 0.055 0.000 1.031 1206 S CA 2.891 61.122 58.200 0.051 0.000 0.984 1206 S CB 0.206 63.431 63.200 0.043 0.000 0.874 1206 S HN -0.315 7.957 8.310 0.058 0.073 0.451 1207 M N -1.539 118.099 119.600 0.063 0.000 2.296 1207 M HA -0.163 nan 4.480 nan 0.000 0.265 1207 M C 0.356 176.695 176.300 0.064 0.000 1.064 1207 M CA 1.993 57.331 55.300 0.064 0.000 1.109 1207 M CB 1.092 33.734 32.600 0.070 0.000 1.396 1207 M HN -0.246 8.085 8.290 0.069 0.000 0.430 1208 G N -3.140 105.702 108.800 0.070 0.000 2.441 1208 G HA2 -0.176 nan 3.960 nan 0.000 0.233 1208 G HA3 -0.176 nan 3.960 nan 0.000 0.233 1208 G C -2.651 172.293 174.900 0.073 0.000 1.703 1208 G CA -0.072 45.068 45.100 0.067 0.000 1.020 1208 G HN -0.464 7.873 8.290 0.079 0.000 0.600 1209 A N -0.701 122.170 122.820 0.085 0.000 2.610 1209 A HA 0.478 nan 4.320 nan 0.000 0.291 1209 A C -2.079 175.568 177.584 0.105 0.000 1.086 1209 A CA -0.756 51.334 52.037 0.089 0.000 0.677 1209 A CB 3.127 22.185 19.000 0.097 0.000 1.278 1209 A HN -0.618 7.586 8.150 0.090 0.000 0.414 1210 E N -0.201 120.053 120.200 0.091 0.000 2.105 1210 E HA 0.150 nan 4.350 nan 0.000 0.285 1210 E C -1.075 175.607 176.600 0.137 0.000 1.055 1210 E CA -1.082 55.380 56.400 0.104 0.000 0.843 1210 E CB 1.105 30.841 29.700 0.060 0.000 1.067 1210 E HN 0.015 8.415 8.360 0.066 0.000 0.398 1211 F N 5.882 125.876 119.950 0.072 0.000 2.444 1211 F HA 0.106 nan 4.527 nan 0.000 0.360 1211 F C -0.873 174.997 175.800 0.116 0.000 1.106 1211 F CA -0.540 57.520 58.000 0.100 0.000 1.170 1211 F CB 0.746 39.799 39.000 0.089 0.000 1.113 1211 F HN 0.398 8.886 8.300 0.314 0.000 0.521 1212 L N 9.028 130.219 121.223 -0.054 0.000 2.433 1212 L HA -0.155 nan 4.340 nan 0.000 0.275 1212 L C -0.382 176.620 176.870 0.219 0.000 1.128 1212 L CA 0.230 55.083 54.840 0.020 0.000 0.875 1212 L CB -0.192 41.791 42.059 -0.128 0.000 1.171 1212 L HN 0.535 8.548 8.230 -0.362 0.000 0.463 1213 E N 2.596 122.930 120.200 0.224 0.000 2.392 1213 E HA -0.122 nan 4.350 nan 0.000 0.264 1213 E C -0.126 176.603 176.600 0.215 0.000 1.024 1213 E CA -1.140 55.429 56.400 0.281 0.000 0.903 1213 E CB 0.743 30.563 29.700 0.199 0.000 0.963 1213 E HN 0.084 8.539 8.360 0.160 0.000 0.432 1214 L N 3.925 125.352 121.223 0.340 0.000 2.704 1214 L HA -0.098 nan 4.340 nan 0.000 0.279 1214 L C -0.515 176.446 176.870 0.152 0.000 1.147 1214 L CA 0.200 55.185 54.840 0.242 0.000 0.994 1214 L CB -0.037 42.184 42.059 0.269 0.000 1.332 1214 L HN 0.207 8.688 8.230 0.419 0.000 0.471 1215 D N 7.699 128.125 120.400 0.043 0.000 2.385 1215 D HA -0.138 nan 4.640 nan 0.000 0.260 1215 D C -1.148 175.246 176.300 0.158 0.000 1.326 1215 D CA 0.848 54.887 54.000 0.064 0.000 1.023 1215 D CB -0.596 40.191 40.800 -0.022 0.000 1.083 1215 D HN -0.312 8.020 8.370 -0.063 0.000 0.517 1225 G N -1.112 107.696 108.800 0.013 0.000 2.442 1225 G HA2 -0.292 nan 3.960 nan 0.000 0.219 1225 G HA3 -0.292 nan 3.960 nan 0.000 0.219 1225 G C 0.780 175.643 174.900 -0.061 0.000 1.141 1225 G CA 1.513 46.596 45.100 -0.028 0.000 0.763 1225 G HN 0.337 8.641 8.290 0.024 0.000 0.554 1226 Y N 2.957 123.196 120.300 -0.102 0.000 2.163 1226 Y HA -0.420 nan 4.550 nan 0.000 0.288 1226 Y C 0.962 176.781 175.900 -0.135 0.000 1.136 1226 Y CA 3.325 61.359 58.100 -0.109 0.000 1.147 1226 Y CB 0.128 38.550 38.460 -0.062 0.000 0.987 1226 Y HN -0.279 8.367 8.280 0.159 -0.271 0.509 1227 A N -2.064 120.757 122.820 0.002 0.000 1.883 1227 A HA -0.505 nan 4.320 nan 0.000 0.217 1227 A C 2.015 179.487 177.584 -0.186 0.000 1.186 1227 A CA 2.972 54.971 52.037 -0.062 0.000 0.624 1227 A CB -0.878 18.136 19.000 0.023 0.000 0.822 1227 A HN -0.479 8.124 8.150 0.114 -0.385 0.444 1228 K N -1.676 118.601 120.400 -0.205 0.000 2.001 1228 K HA -0.288 nan 4.320 nan 0.000 0.214 1228 K C 2.325 178.327 176.600 -0.998 0.000 1.050 1228 K CA 2.516 58.575 56.287 -0.380 0.000 0.934 1228 K CB -0.948 31.369 32.500 -0.306 0.000 0.718 1228 K HN -0.097 8.085 8.250 -0.113 0.000 0.443 1229 V N -1.874 117.427 119.914 -1.021 0.000 2.453 1229 V HA -0.419 nan 4.120 nan 0.000 0.252 1229 V C 2.190 177.902 176.094 -0.637 0.000 1.068 1229 V CA 3.017 64.662 62.300 -1.091 0.000 1.070 1229 V CB -0.624 30.872 31.823 -0.545 0.000 0.664 1229 V HN -0.177 7.505 8.190 -0.664 0.110 0.461 1230 M N -4.801 114.476 119.600 -0.538 0.000 2.349 1230 M HA -0.030 nan 4.480 nan 0.000 0.266 1230 M C 0.889 177.114 176.300 -0.126 0.000 1.076 1230 M CA 0.337 55.444 55.300 -0.322 0.000 1.126 1230 M CB 0.004 32.397 32.600 -0.346 0.000 1.392 1230 M HN 0.020 7.933 8.290 -0.607 0.012 0.440 1231 S N 0.715 116.352 115.700 -0.106 0.000 2.558 1231 S HA -0.077 nan 4.470 nan 0.000 0.288 1231 S C 0.113 174.806 174.600 0.156 0.000 1.318 1231 S CA 0.952 59.189 58.200 0.062 0.000 1.056 1231 S CB 0.727 64.018 63.200 0.152 0.000 0.853 1231 S HN -0.399 7.593 8.310 -0.263 0.160 0.505 1232 D N 6.859 127.333 120.400 0.123 0.000 2.104 1232 D HA -0.267 nan 4.640 nan 0.000 0.194 1232 D C 2.197 178.581 176.300 0.140 0.000 0.994 1232 D CA 3.896 57.962 54.000 0.112 0.000 0.830 1232 D CB -0.176 40.671 40.800 0.078 0.000 0.959 1232 D HN 0.495 8.924 8.370 0.099 0.000 0.452 1233 A N -1.174 121.768 122.820 0.203 0.000 2.019 1233 A HA -0.190 nan 4.320 nan 0.000 0.219 1233 A C 1.981 179.748 177.584 0.304 0.000 1.164 1233 A CA 2.553 54.749 52.037 0.266 0.000 0.644 1233 A CB -1.007 18.218 19.000 0.375 0.000 0.805 1233 A HN 0.098 8.369 8.150 0.202 0.000 0.449 1234 F N -0.590 119.397 119.950 0.060 0.000 2.113 1234 F HA -0.293 nan 4.527 nan 0.000 0.297 1234 F C 1.045 176.742 175.800 -0.172 0.000 1.103 1234 F CA 2.792 60.621 58.000 -0.284 0.000 1.248 1234 F CB 0.297 39.094 39.000 -0.339 0.000 0.999 1234 F HN -0.473 7.933 8.300 0.393 0.130 0.475 1235 I N -1.175 119.385 120.570 -0.017 0.000 2.361 1235 I HA -0.676 nan 4.170 nan 0.000 0.251 1235 I C 1.694 177.708 176.117 -0.172 0.000 1.133 1235 I CA 3.959 65.192 61.300 -0.111 0.000 1.413 1235 I CB -0.540 37.480 38.000 0.034 0.000 1.073 1235 I HN -0.081 8.245 8.210 0.193 0.000 0.424 1236 K N 0.378 120.720 120.400 -0.096 0.000 2.009 1236 K HA -0.412 nan 4.320 nan 0.000 0.210 1236 K C 1.885 178.366 176.600 -0.198 0.000 1.049 1236 K CA 3.772 59.999 56.287 -0.101 0.000 0.929 1236 K CB -0.149 32.342 32.500 -0.016 0.000 0.714 1236 K HN -0.079 8.158 8.250 -0.023 0.000 0.440 1237 A N -1.422 121.265 122.820 -0.221 0.000 1.902 1237 A HA -0.277 nan 4.320 nan 0.000 0.217 1237 A C 2.300 179.560 177.584 -0.540 0.000 1.181 1237 A CA 3.056 54.916 52.037 -0.295 0.000 0.623 1237 A CB -0.988 17.864 19.000 -0.246 0.000 0.818 1237 A HN -0.213 7.634 8.150 -0.178 0.196 0.443 1238 E N -0.928 118.842 120.200 -0.716 0.000 2.038 1238 E HA -0.422 nan 4.350 nan 0.000 0.195 1238 E C 2.641 178.372 176.600 -1.448 0.000 1.000 1238 E CA 3.096 58.872 56.400 -1.040 0.000 0.803 1238 E CB -0.198 29.013 29.700 -0.815 0.000 0.750 1238 E HN 0.179 8.013 8.360 -0.704 0.103 0.448 1239 M N -2.028 117.070 119.600 -0.837 0.000 2.279 1239 M HA -0.261 nan 4.480 nan 0.000 0.264 1239 M C 2.694 178.807 176.300 -0.313 0.000 1.062 1239 M CA 1.879 56.905 55.300 -0.456 0.000 1.099 1239 M CB -1.120 31.392 32.600 -0.147 0.000 1.394 1239 M HN -0.060 7.880 8.290 -0.584 0.000 0.426 1240 E N 0.762 120.760 120.200 -0.337 0.000 2.072 1240 E HA -0.275 nan 4.350 nan 0.000 0.190 1240 E C 2.599 179.032 176.600 -0.279 0.000 0.982 1240 E CA 2.812 59.069 56.400 -0.238 0.000 0.803 1240 E CB -0.132 29.454 29.700 -0.190 0.000 0.755 1240 E HN 0.096 8.122 8.360 -0.376 0.108 0.453 1241 L N -0.305 120.639 121.223 -0.466 0.000 2.012 1241 L HA -0.336 nan 4.340 nan 0.000 0.210 1241 L C 2.364 179.105 176.870 -0.215 0.000 1.073 1241 L CA 3.510 58.069 54.840 -0.469 0.000 0.748 1241 L CB -0.917 40.594 42.059 -0.914 0.000 0.891 1241 L HN 0.100 7.887 8.230 -0.611 0.077 0.431 1242 F N -1.802 117.991 119.950 -0.261 0.000 2.102 1242 F HA -0.354 nan 4.527 nan 0.000 0.298 1242 F C 2.125 177.846 175.800 -0.130 0.000 1.105 1242 F CA 1.605 59.502 58.000 -0.172 0.000 1.239 1242 F CB -2.233 36.689 39.000 -0.129 0.000 0.991 1242 F HN 0.407 8.362 8.300 -0.575 0.000 0.474 1243 A N -1.104 121.740 122.820 0.041 0.000 1.933 1243 A HA -0.366 nan 4.320 nan 0.000 0.218 1243 A C 2.267 179.835 177.584 -0.027 0.000 1.175 1243 A CA 2.914 54.949 52.037 -0.003 0.000 0.628 1243 A CB -1.150 17.830 19.000 -0.033 0.000 0.814 1243 A HN 0.177 8.207 8.150 -0.018 0.110 0.444 1244 A N -1.353 121.435 122.820 -0.054 0.000 1.855 1244 A HA -0.295 nan 4.320 nan 0.000 0.215 1244 A C 2.695 180.250 177.584 -0.048 0.000 1.191 1244 A CA 2.876 54.878 52.037 -0.059 0.000 0.613 1244 A CB -0.696 18.252 19.000 -0.087 0.000 0.829 1244 A HN 0.276 8.378 8.150 -0.080 0.000 0.442 1245 Q N -1.783 117.989 119.800 -0.046 0.000 2.167 1245 Q HA -0.287 nan 4.340 nan 0.000 0.202 1245 Q C 2.315 178.290 176.000 -0.042 0.000 0.970 1245 Q CA 2.084 57.860 55.803 -0.044 0.000 0.855 1245 Q CB -0.462 28.251 28.738 -0.042 0.000 0.911 1245 Q HN 0.012 8.255 8.270 -0.045 0.000 0.438 1246 A N -0.185 122.616 122.820 -0.031 0.000 1.986 1246 A HA -0.374 nan 4.320 nan 0.000 0.220 1246 A C 1.728 179.288 177.584 -0.039 0.000 1.171 1246 A CA 3.342 55.356 52.037 -0.038 0.000 0.640 1246 A CB -0.912 18.074 19.000 -0.023 0.000 0.811 1246 A HN 0.360 8.476 8.150 -0.015 0.026 0.451 1247 K N -3.084 117.296 120.400 -0.033 0.000 2.211 1247 K HA -0.248 nan 4.320 nan 0.000 0.203 1247 K C 1.533 178.115 176.600 -0.031 0.000 1.050 1247 K CA 2.618 58.886 56.287 -0.031 0.000 0.945 1247 K CB 0.063 32.546 32.500 -0.028 0.000 0.732 1247 K HN -0.466 7.748 8.250 -0.032 0.016 0.451 1248 E N -2.936 117.243 120.200 -0.035 0.000 2.332 1248 E HA 0.103 nan 4.350 nan 0.000 0.202 1248 E C 0.356 176.934 176.600 -0.037 0.000 0.877 1248 E CA 0.391 56.771 56.400 -0.032 0.000 0.979 1248 E CB 1.563 31.245 29.700 -0.031 0.000 0.969 1248 E HN -0.322 7.844 8.360 -0.039 0.172 0.495 1249 V N -3.591 116.292 119.914 -0.051 0.000 3.376 1249 V HA -0.102 nan 4.120 nan 0.000 0.303 1249 V C -0.772 175.276 176.094 -0.076 0.000 1.100 1249 V CA 0.308 62.565 62.300 -0.072 0.000 1.126 1249 V CB 0.093 31.859 31.823 -0.096 0.000 1.085 1249 V HN 0.005 8.163 8.190 -0.053 0.000 0.480 1250 D N -0.545 119.780 120.400 -0.126 0.000 2.602 1250 D HA 0.336 nan 4.640 nan 0.000 0.284 1250 D C -0.455 175.579 176.300 -0.442 0.000 1.065 1250 D CA 2.250 56.162 54.000 -0.146 0.000 0.923 1250 D CB 3.636 44.424 40.800 -0.019 0.000 1.373 1250 D HN 0.441 8.617 8.370 -0.153 0.102 0.492 1251 I N -1.425 118.853 120.570 -0.488 0.000 2.509 1251 I HA 0.586 nan 4.170 nan 0.000 0.293 1251 I C -1.844 174.115 176.117 -0.263 0.000 1.020 1251 I CA -1.724 59.288 61.300 -0.481 0.000 1.088 1251 I CB 3.146 40.803 38.000 -0.571 0.000 1.267 1251 I HN -0.232 7.764 8.210 -0.358 0.000 0.430 1252 I N 6.175 126.617 120.570 -0.214 0.000 2.404 1252 I HA 0.438 nan 4.170 nan 0.000 0.293 1252 I C -1.686 174.352 176.117 -0.132 0.000 0.992 1252 I CA -1.154 60.047 61.300 -0.165 0.000 1.149 1252 I CB 2.500 40.389 38.000 -0.184 0.000 1.315 1252 I HN 0.731 8.802 8.210 -0.231 0.000 0.446 1253 V N 7.437 127.296 119.914 -0.092 0.000 2.313 1253 V HA 0.409 nan 4.120 nan 0.000 0.278 1253 V C -0.598 175.462 176.094 -0.056 0.000 1.017 1253 V CA -1.844 60.422 62.300 -0.057 0.000 0.823 1253 V CB -0.097 31.716 31.823 -0.016 0.000 1.010 1253 V HN 0.590 8.627 8.190 -0.086 0.101 0.443 1254 T N 7.193 121.707 114.554 -0.066 0.000 2.747 1254 T HA 0.342 nan 4.350 nan 0.000 0.301 1254 T C 0.542 175.227 174.700 -0.026 0.000 0.952 1254 T CA -0.833 61.229 62.100 -0.064 0.000 0.983 1254 T CB -0.508 68.305 68.868 -0.092 0.000 0.930 1254 T HN 0.207 8.407 8.240 -0.067 0.000 0.494 1255 T N 5.395 119.944 114.554 -0.008 0.000 3.000 1255 T HA 0.176 nan 4.350 nan 0.000 0.248 1255 T C 0.282 174.997 174.700 0.024 0.000 1.034 1255 T CA 1.451 63.560 62.100 0.016 0.000 1.060 1255 T CB 0.373 69.258 68.868 0.029 0.000 0.983 1255 T HN 0.808 9.040 8.240 -0.013 0.000 0.482 1256 A N 4.568 127.402 122.820 0.024 0.000 2.981 1256 A HA 0.038 nan 4.320 nan 0.000 0.280 1256 A C -1.192 176.409 177.584 0.028 0.000 1.797 1256 A CA 0.311 52.369 52.037 0.034 0.000 1.456 1256 A CB -1.013 18.012 19.000 0.041 0.000 1.057 1256 A HN -0.237 8.104 8.150 0.015 -0.182 0.602 1257 L N 3.255 124.494 121.223 0.027 0.000 2.292 1257 L HA 0.183 nan 4.340 nan 0.000 0.284 1257 L C -1.306 175.585 176.870 0.034 0.000 1.065 1257 L CA 0.216 55.064 54.840 0.014 0.000 0.806 1257 L CB 1.708 43.765 42.059 -0.002 0.000 1.175 1257 L HN -0.300 7.915 8.230 0.035 0.036 0.431 1258 I N 5.993 126.581 120.570 0.030 0.000 2.412 1258 I HA 0.408 nan 4.170 nan 0.000 0.296 1258 I C -2.010 174.137 176.117 0.051 0.000 0.987 1258 I CA -4.841 56.492 61.300 0.055 0.000 1.180 1258 I CB 0.135 38.170 38.000 0.058 0.000 1.340 1258 I HN 0.124 8.342 8.210 0.012 0.000 0.455 1259 P HA -0.048 nan 4.420 nan 0.000 0.267 1259 P C -0.271 177.092 177.300 0.104 0.000 1.205 1259 P CA 0.096 63.271 63.100 0.125 0.000 0.765 1259 P CB 0.299 32.129 31.700 0.218 0.000 0.828 1260 G N 4.078 112.921 108.800 0.072 0.000 4.365 1260 G HA2 -0.407 nan 3.960 nan 0.000 0.214 1260 G HA3 -0.407 nan 3.960 nan 0.000 0.214 1260 G C -0.752 174.171 174.900 0.038 0.000 1.450 1260 G CA 0.286 45.426 45.100 0.068 0.000 0.937 1260 G HN 0.239 8.546 8.290 0.028 0.000 0.625 1261 K N 4.467 124.896 120.400 0.048 0.000 2.326 1261 K HA 0.220 nan 4.320 nan 0.000 0.275 1261 K C -2.169 174.439 176.600 0.015 0.000 1.018 1261 K CA -2.482 53.828 56.287 0.037 0.000 0.962 1261 K CB 0.067 32.598 32.500 0.052 0.000 0.953 1261 K HN -0.472 7.746 8.250 0.062 0.069 0.475 1262 P HA -0.128 nan 4.420 nan 0.000 0.268 1262 P C -1.175 176.129 177.300 0.007 0.000 1.205 1262 P CA -0.205 62.892 63.100 -0.005 0.000 0.771 1262 P CB 0.302 32.000 31.700 -0.004 0.000 0.858 1263 A N 4.959 127.778 122.820 -0.001 0.000 2.546 1263 A HA -0.027 nan 4.320 nan 0.000 0.243 1263 A C -1.205 176.390 177.584 0.017 0.000 1.063 1263 A CA -1.439 50.603 52.037 0.009 0.000 0.757 1263 A CB -1.097 17.901 19.000 -0.003 0.000 0.991 1263 A HN 0.149 8.291 8.150 -0.014 0.000 0.503 1264 P HA -0.067 nan 4.420 nan 0.000 0.262 1264 P C -1.264 176.058 177.300 0.037 0.000 1.199 1264 P CA -0.213 62.911 63.100 0.041 0.000 0.763 1264 P CB 0.471 32.206 31.700 0.059 0.000 0.790 1265 K N 4.378 124.796 120.400 0.030 0.000 2.228 1265 K HA -0.028 nan 4.320 nan 0.000 0.284 1265 K C -0.471 176.158 176.600 0.049 0.000 1.088 1265 K CA -0.021 56.278 56.287 0.021 0.000 0.941 1265 K CB -0.353 32.150 32.500 0.005 0.000 1.158 1265 K HN 0.167 8.435 8.250 0.030 0.000 0.438 1266 L N 3.393 124.652 121.223 0.059 0.000 2.022 1266 L HA -0.111 nan 4.340 nan 0.000 0.204 1266 L C 0.792 177.761 176.870 0.164 0.000 1.076 1266 L CA 2.006 56.939 54.840 0.156 0.000 0.749 1266 L CB 0.764 42.920 42.059 0.162 0.000 0.903 1266 L HN 0.375 8.523 8.230 0.025 0.097 0.439 1267 I N -3.064 117.502 120.570 -0.007 0.000 2.322 1267 I HA -0.047 nan 4.170 nan 0.000 0.292 1267 I C -0.741 175.385 176.117 0.014 0.000 1.060 1267 I CA -0.478 60.804 61.300 -0.030 0.000 1.309 1267 I CB -0.526 37.323 38.000 -0.251 0.000 1.415 1267 I HN -0.663 7.501 8.210 -0.077 0.000 0.492 1268 T N 8.873 123.462 114.554 0.057 0.000 2.940 1268 T HA -0.047 nan 4.350 nan 0.000 0.309 1268 T C 1.426 176.135 174.700 0.014 0.000 1.056 1268 T CA 1.453 63.565 62.100 0.020 0.000 1.137 1268 T CB 0.166 69.052 68.868 0.030 0.000 0.976 1268 T HN 0.181 8.490 8.240 0.115 0.000 0.547 1269 R N 6.299 126.775 120.500 -0.040 0.000 2.113 1269 R HA -0.483 nan 4.340 nan 0.000 0.244 1269 R C 1.492 177.861 176.300 0.114 0.000 1.142 1269 R CA 4.538 60.611 56.100 -0.044 0.000 0.953 1269 R CB -0.361 29.698 30.300 -0.401 0.000 0.860 1269 R HN 0.103 8.583 8.270 -0.083 -0.260 0.438 1270 E N -0.984 119.237 120.200 0.035 0.000 2.086 1270 E HA -0.378 nan 4.350 nan 0.000 0.205 1270 E C 2.162 178.791 176.600 0.048 0.000 1.027 1270 E CA 2.935 59.361 56.400 0.042 0.000 0.830 1270 E CB -0.346 29.363 29.700 0.015 0.000 0.751 1270 E HN -0.062 8.290 8.360 -0.014 0.000 0.456 1271 M N -2.875 116.751 119.600 0.043 0.000 2.394 1271 M HA -0.237 nan 4.480 nan 0.000 0.264 1271 M C 0.985 177.289 176.300 0.006 0.000 1.073 1271 M CA 2.768 58.087 55.300 0.030 0.000 1.111 1271 M CB 0.148 32.780 32.600 0.053 0.000 1.401 1271 M HN -0.453 7.748 8.290 0.045 0.116 0.448 1272 V N -2.092 117.832 119.914 0.016 0.000 2.358 1272 V HA -0.369 nan 4.120 nan 0.000 0.246 1272 V C 2.430 178.465 176.094 -0.097 0.000 1.047 1272 V CA 3.231 65.496 62.300 -0.058 0.000 1.035 1272 V CB -0.618 31.170 31.823 -0.058 0.000 0.658 1272 V HN -0.558 7.535 8.190 0.067 0.137 0.452 1273 D N 1.074 121.455 120.400 -0.032 0.000 2.149 1273 D HA -0.243 nan 4.640 nan 0.000 0.198 1273 D C 1.837 178.116 176.300 -0.035 0.000 0.990 1273 D CA 3.131 57.107 54.000 -0.040 0.000 0.839 1273 D CB -0.330 40.487 40.800 0.029 0.000 0.948 1273 D HN -0.348 8.061 8.370 0.065 0.000 0.460 1274 S N -2.275 113.414 115.700 -0.019 0.000 2.547 1274 S HA -0.137 nan 4.470 nan 0.000 0.235 1274 S C -0.319 174.262 174.600 -0.033 0.000 0.980 1274 S CA 1.245 59.433 58.200 -0.020 0.000 0.941 1274 S CB 0.264 63.458 63.200 -0.009 0.000 0.763 1274 S HN -0.505 7.803 8.310 -0.003 0.000 0.532 1275 M N 0.987 120.556 119.600 -0.051 0.000 2.241 1275 M HA -0.094 nan 4.480 nan 0.000 0.335 1275 M C -1.050 175.217 176.300 -0.055 0.000 1.122 1275 M CA 0.329 55.593 55.300 -0.060 0.000 1.164 1275 M CB 1.597 34.144 32.600 -0.088 0.000 1.459 1275 M HN -0.689 7.358 8.290 -0.062 0.206 0.461 1276 K N 4.038 124.409 120.400 -0.047 0.000 2.472 1276 K HA -0.161 nan 4.320 nan 0.000 0.280 1276 K C -0.678 175.903 176.600 -0.033 0.000 1.028 1276 K CA 0.576 56.842 56.287 -0.035 0.000 1.045 1276 K CB 1.076 33.559 32.500 -0.029 0.000 0.902 1276 K HN 0.384 8.606 8.250 -0.048 0.000 0.478 1277 A N 3.225 126.029 122.820 -0.027 0.000 2.310 1277 A HA 0.113 nan 4.320 nan 0.000 0.260 1277 A C 0.552 178.136 177.584 0.000 0.000 1.112 1277 A CA 0.290 52.313 52.037 -0.023 0.000 0.804 1277 A CB 0.431 19.416 19.000 -0.025 0.000 1.081 1277 A HN 0.296 8.430 8.150 -0.027 0.000 0.499 1278 G N -3.213 105.592 108.800 0.009 0.000 2.221 1278 G HA2 -0.473 nan 3.960 nan 0.000 0.265 1278 G HA3 -0.473 nan 3.960 nan 0.000 0.265 1278 G C -0.762 174.228 174.900 0.150 0.000 1.041 1278 G CA 0.506 45.628 45.100 0.037 0.000 0.807 1278 G HN -0.013 8.274 8.290 -0.005 0.000 0.502 1279 S N -1.190 114.576 115.700 0.109 0.000 2.671 1279 S HA 0.912 nan 4.470 nan 0.000 0.299 1279 S C -2.065 172.514 174.600 -0.035 0.000 1.116 1279 S CA -1.123 57.127 58.200 0.083 0.000 0.912 1279 S CB 3.675 66.867 63.200 -0.013 0.000 1.130 1279 S HN -0.515 7.818 8.310 0.039 0.000 0.501 1280 V N -0.172 119.632 119.914 -0.182 0.000 2.823 1280 V HA 0.661 nan 4.120 nan 0.000 0.312 1280 V C -1.408 174.568 176.094 -0.197 0.000 1.072 1280 V CA -1.207 60.989 62.300 -0.172 0.000 0.937 1280 V CB 3.727 35.446 31.823 -0.173 0.000 1.013 1280 V HN 0.330 8.337 8.190 -0.304 0.000 0.430 1281 I N 4.225 124.698 120.570 -0.163 0.000 2.437 1281 I HA 0.479 nan 4.170 nan 0.000 0.279 1281 I C -1.145 174.896 176.117 -0.128 0.000 1.028 1281 I CA -0.879 60.329 61.300 -0.154 0.000 1.142 1281 I CB 1.481 39.387 38.000 -0.157 0.000 1.266 1281 I HN 0.296 8.308 8.210 -0.150 0.109 0.461 1282 V N 3.608 123.457 119.914 -0.108 0.000 2.389 1282 V HA 0.224 nan 4.120 nan 0.000 0.264 1282 V C -1.239 174.822 176.094 -0.055 0.000 1.049 1282 V CA -2.356 59.897 62.300 -0.078 0.000 0.932 1282 V CB -1.106 30.696 31.823 -0.035 0.000 1.011 1282 V HN 0.658 8.780 8.190 -0.112 0.000 0.475 1283 D N 7.504 127.874 120.400 -0.050 0.000 2.428 1283 D HA 0.276 nan 4.640 nan 0.000 0.221 1283 D C -0.171 176.129 176.300 -0.001 0.000 1.123 1283 D CA -0.565 53.416 54.000 -0.031 0.000 0.869 1283 D CB 1.186 41.967 40.800 -0.032 0.000 1.032 1283 D HN 0.064 8.285 8.370 -0.066 0.109 0.506 1284 L N 3.552 124.778 121.223 0.005 0.000 2.109 1284 L HA -0.188 nan 4.340 nan 0.000 0.207 1284 L C 1.414 178.286 176.870 0.003 0.000 1.086 1284 L CA 2.396 57.248 54.840 0.021 0.000 0.760 1284 L CB 0.114 42.190 42.059 0.029 0.000 0.910 1284 L HN 0.293 8.520 8.230 -0.005 0.000 0.437 1285 A N -2.640 120.176 122.820 -0.007 0.000 2.209 1285 A HA -0.142 nan 4.320 nan 0.000 0.212 1285 A C 1.254 178.820 177.584 -0.030 0.000 1.158 1285 A CA 1.630 53.655 52.037 -0.019 0.000 0.742 1285 A CB -1.247 17.745 19.000 -0.013 0.000 0.790 1285 A HN -0.293 7.946 8.150 -0.008 -0.094 0.472 1286 A N -0.738 122.072 122.820 -0.017 0.000 2.009 1286 A HA -0.393 nan 4.320 nan 0.000 0.222 1286 A C 1.712 179.274 177.584 -0.037 0.000 1.175 1286 A CA 2.818 54.848 52.037 -0.012 0.000 0.651 1286 A CB -0.806 18.204 19.000 0.017 0.000 0.815 1286 A HN -0.164 8.001 8.150 -0.008 -0.020 0.459 1287 Q N -4.558 115.200 119.800 -0.070 0.000 2.541 1287 Q HA -0.210 nan 4.340 nan 0.000 0.215 1287 Q C 0.156 176.062 176.000 -0.158 0.000 0.977 1287 Q CA 1.097 56.821 55.803 -0.131 0.000 0.934 1287 Q CB 0.303 28.920 28.738 -0.201 0.000 0.988 1287 Q HN -0.543 7.662 8.270 -0.060 0.029 0.521 1288 N N -0.367 118.266 118.700 -0.111 0.000 2.747 1288 N HA 0.139 nan 4.740 nan 0.000 0.262 1288 N C -1.208 174.271 175.510 -0.052 0.000 1.261 1288 N CA 0.076 53.071 53.050 -0.092 0.000 0.809 1288 N CB 1.505 39.929 38.487 -0.106 0.000 1.450 1288 N HN -0.321 7.870 8.380 -0.087 0.136 0.560 1289 G N 4.613 113.392 108.800 -0.035 0.000 3.206 1289 G HA2 -0.443 nan 3.960 nan 0.000 0.217 1289 G HA3 -0.443 nan 3.960 nan 0.000 0.217 1289 G C -1.393 173.498 174.900 -0.015 0.000 1.350 1289 G CA 0.146 45.235 45.100 -0.019 0.000 0.836 1289 G HN 0.310 8.578 8.290 -0.037 0.000 0.548 1290 G N 0.571 109.361 108.800 -0.017 0.000 2.999 1290 G HA2 -0.399 nan 3.960 nan 0.000 0.686 1290 G HA3 -0.399 nan 3.960 nan 0.000 0.686 1290 G C -0.135 174.756 174.900 -0.016 0.000 1.057 1290 G CA -0.445 44.646 45.100 -0.015 0.000 0.784 1290 G HN -0.524 7.700 8.290 -0.022 0.053 0.575 1291 N N 2.790 121.476 118.700 -0.024 0.000 2.446 1291 N HA -0.001 nan 4.740 nan 0.000 0.179 1291 N C -0.310 175.169 175.510 -0.052 0.000 1.054 1291 N CA 2.049 55.082 53.050 -0.028 0.000 0.905 1291 N CB 0.937 39.404 38.487 -0.034 0.000 0.973 1291 N HN -0.091 8.677 8.380 -0.029 -0.405 0.448 1292 C N 0.503 119.768 119.300 -0.058 0.000 2.459 1292 C HA 0.151 nan 4.460 nan 0.000 0.374 1292 C C -0.163 174.809 174.990 -0.029 0.000 1.241 1292 C CA -0.749 58.234 59.018 -0.058 0.000 2.352 1292 C CB 0.930 28.636 27.740 -0.056 0.000 2.490 1292 C HN 0.160 8.656 8.230 -0.048 -0.295 0.583 1293 E N 4.297 124.478 120.200 -0.032 0.000 2.427 1293 E HA -0.263 nan 4.350 nan 0.000 0.196 1293 E C 1.673 178.200 176.600 -0.122 0.000 1.028 1293 E CA 2.021 58.379 56.400 -0.070 0.000 0.864 1293 E CB 0.193 29.831 29.700 -0.102 0.000 0.813 1293 E HN 0.417 8.761 8.360 -0.027 0.000 0.514 1294 Y N -1.743 118.458 120.300 -0.164 0.000 2.457 1294 Y HA -0.186 nan 4.550 nan 0.000 0.292 1294 Y C -0.251 175.559 175.900 -0.151 0.000 1.125 1294 Y CA 2.464 60.404 58.100 -0.267 0.000 1.254 1294 Y CB 0.331 38.555 38.460 -0.394 0.000 1.012 1294 Y HN -0.786 7.505 8.280 0.091 0.043 0.555 1295 T N 3.180 117.772 114.554 0.065 0.000 2.751 1295 T HA -0.180 nan 4.350 nan 0.000 0.279 1295 T C -0.665 174.097 174.700 0.103 0.000 0.941 1295 T CA 1.452 63.599 62.100 0.077 0.000 1.192 1295 T CB -0.893 67.992 68.868 0.027 0.000 0.883 1295 T HN -0.653 7.568 8.240 0.035 0.040 0.534 1296 V N 8.102 128.125 119.914 0.182 0.000 2.389 1296 V HA 0.183 nan 4.120 nan 0.000 0.264 1296 V C -1.424 174.734 176.094 0.107 0.000 1.049 1296 V CA -3.361 59.029 62.300 0.151 0.000 0.932 1296 V CB -0.218 31.723 31.823 0.196 0.000 1.011 1296 V HN 0.051 8.398 8.190 0.262 0.000 0.475 1297 P HA 0.012 nan 4.420 nan 0.000 0.267 1297 P C -0.264 177.086 177.300 0.083 0.000 1.200 1297 P CA 0.929 64.067 63.100 0.063 0.000 0.772 1297 P CB 0.233 31.951 31.700 0.030 0.000 0.855 1298 G N 3.841 112.713 108.800 0.120 0.000 2.454 1298 G HA2 -0.448 nan 3.960 nan 0.000 0.225 1298 G HA3 -0.448 nan 3.960 nan 0.000 0.225 1298 G C -0.555 174.492 174.900 0.244 0.000 1.138 1298 G CA -0.071 45.123 45.100 0.156 0.000 0.667 1298 G HN 0.682 9.050 8.290 0.131 0.000 0.512 1299 E N 1.020 121.318 120.200 0.163 0.000 2.254 1299 E HA 0.247 nan 4.350 nan 0.000 0.258 1299 E C -1.213 175.415 176.600 0.047 0.000 1.033 1299 E CA -1.981 54.503 56.400 0.139 0.000 0.893 1299 E CB 2.844 32.592 29.700 0.080 0.000 1.204 1299 E HN -0.443 7.931 8.360 0.129 0.063 0.425 1300 I N -0.298 120.287 120.570 0.025 0.000 2.297 1300 I HA 0.207 nan 4.170 nan 0.000 0.291 1300 I C -0.733 175.431 176.117 0.079 0.000 1.033 1300 I CA -0.607 60.677 61.300 -0.026 0.000 1.253 1300 I CB 0.385 38.366 38.000 -0.032 0.000 1.396 1300 I HN 0.108 8.363 8.210 0.075 0.000 0.476 1301 F N 10.590 130.515 119.950 -0.042 0.000 2.371 1301 F HA 0.283 nan 4.527 nan 0.000 0.363 1301 F C -1.619 174.139 175.800 -0.070 0.000 1.122 1301 F CA -2.356 55.637 58.000 -0.011 0.000 1.129 1301 F CB 1.961 40.995 39.000 0.057 0.000 1.173 1301 F HN 0.725 9.045 8.300 0.195 0.097 0.489 1302 T N 11.402 126.144 114.554 0.315 0.000 2.727 1302 T HA 0.102 nan 4.350 nan 0.000 0.295 1302 T C -0.360 174.452 174.700 0.186 0.000 0.915 1302 T CA 0.038 62.227 62.100 0.147 0.000 1.066 1302 T CB -0.382 68.528 68.868 0.070 0.000 0.891 1302 T HN 0.279 8.648 8.240 0.215 0.000 0.516 1303 T N 7.804 122.277 114.554 -0.134 0.000 2.928 1303 T HA -0.017 nan 4.350 nan 0.000 0.305 1303 T C 1.365 176.002 174.700 -0.104 0.000 1.035 1303 T CA 0.325 62.208 62.100 -0.362 0.000 1.145 1303 T CB 0.496 68.923 68.868 -0.736 0.000 0.963 1303 T HN 0.240 8.343 8.240 -0.228 0.000 0.545 1304 E N 5.621 125.813 120.200 -0.012 0.000 2.396 1304 E HA -0.344 nan 4.350 nan 0.000 0.200 1304 E C 0.481 177.075 176.600 -0.011 0.000 1.023 1304 E CA 2.522 58.934 56.400 0.021 0.000 0.857 1304 E CB -0.440 29.293 29.700 0.055 0.000 0.775 1304 E HN 0.620 8.997 8.360 0.028 0.000 0.525 1305 N N -2.627 116.046 118.700 -0.046 0.000 2.250 1305 N HA -0.117 nan 4.740 nan 0.000 0.181 1305 N C 0.951 176.436 175.510 -0.042 0.000 1.017 1305 N CA 0.120 53.144 53.050 -0.043 0.000 0.866 1305 N CB -0.042 38.410 38.487 -0.058 0.000 0.985 1305 N HN -0.100 8.170 8.380 -0.078 0.063 0.429 1306 G N -1.640 107.125 108.800 -0.058 0.000 2.188 1306 G HA2 -0.257 nan 3.960 nan 0.000 0.112 1306 G HA3 -0.257 nan 3.960 nan 0.000 0.112 1306 G C -2.234 172.632 174.900 -0.056 0.000 1.048 1306 G CA -0.363 44.712 45.100 -0.042 0.000 0.720 1306 G HN -0.087 8.054 8.290 -0.086 0.097 0.487 1307 V N 1.569 121.418 119.914 -0.108 0.000 2.318 1307 V HA 0.209 nan 4.120 nan 0.000 0.271 1307 V C -0.800 175.206 176.094 -0.146 0.000 1.030 1307 V CA -1.279 60.941 62.300 -0.133 0.000 0.844 1307 V CB 0.217 31.929 31.823 -0.186 0.000 1.015 1307 V HN -0.326 8.009 8.190 -0.140 -0.230 0.460 1308 K N 7.977 128.323 120.400 -0.090 0.000 2.273 1308 K HA 0.271 nan 4.320 nan 0.000 0.287 1308 K C -0.576 175.960 176.600 -0.107 0.000 1.089 1308 K CA -0.596 55.648 56.287 -0.071 0.000 0.909 1308 K CB -0.238 32.240 32.500 -0.036 0.000 1.123 1308 K HN 0.539 8.750 8.250 -0.066 0.000 0.473 1309 V N 7.357 127.200 119.914 -0.118 0.000 2.370 1309 V HA 0.168 nan 4.120 nan 0.000 0.257 1309 V C -0.796 175.250 176.094 -0.079 0.000 1.064 1309 V CA -0.008 62.223 62.300 -0.114 0.000 0.975 1309 V CB -0.720 31.025 31.823 -0.131 0.000 1.067 1309 V HN 0.635 8.758 8.190 -0.111 0.000 0.485 1310 I N 7.709 128.188 120.570 -0.152 0.000 2.282 1310 I HA 0.257 nan 4.170 nan 0.000 0.290 1310 I C -0.143 175.840 176.117 -0.223 0.000 1.090 1310 I CA -0.764 60.359 61.300 -0.296 0.000 1.231 1310 I CB -0.427 37.307 38.000 -0.443 0.000 1.434 1310 I HN 0.896 8.914 8.210 -0.147 0.104 0.487 1311 G N 7.818 116.554 108.800 -0.106 0.000 3.458 1311 G HA2 0.125 nan 3.960 nan 0.000 0.256 1311 G HA3 0.125 nan 3.960 nan 0.000 0.256 1311 G C -1.654 173.311 174.900 0.108 0.000 0.938 1311 G CA -0.882 44.219 45.100 0.002 0.000 1.890 1311 G HN 0.718 8.962 8.290 -0.077 0.000 0.639 1312 Y N 2.164 122.476 120.300 0.020 0.000 2.613 1312 Y HA 0.022 nan 4.550 nan 0.000 0.354 1312 Y C 1.126 177.025 175.900 -0.002 0.000 1.063 1312 Y CA -2.509 55.599 58.100 0.014 0.000 1.384 1312 Y CB -1.646 36.826 38.460 0.020 0.000 1.199 1312 Y HN -0.526 7.779 8.280 0.085 0.026 0.517 1313 T N 5.540 120.179 114.554 0.141 0.000 2.759 1313 T HA -0.286 nan 4.350 nan 0.000 0.269 1313 T C 0.285 174.992 174.700 0.010 0.000 1.042 1313 T CA 3.607 65.730 62.100 0.039 0.000 1.140 1313 T CB -0.350 68.526 68.868 0.013 0.000 0.864 1313 T HN -0.194 8.147 8.240 0.168 0.000 0.455 1314 D N -1.119 119.285 120.400 0.006 0.000 2.363 1314 D HA -0.028 nan 4.640 nan 0.000 0.226 1314 D C 1.121 177.413 176.300 -0.014 0.000 1.020 1314 D CA -0.408 53.574 54.000 -0.030 0.000 0.892 1314 D CB -1.462 39.289 40.800 -0.081 0.000 0.900 1314 D HN 0.110 8.469 8.370 0.019 0.022 0.531 1315 L N 0.561 121.807 121.223 0.039 0.000 2.064 1315 L HA -0.345 nan 4.340 nan 0.000 0.216 1315 L C -1.054 175.851 176.870 0.057 0.000 1.077 1315 L CA 4.558 59.437 54.840 0.066 0.000 0.766 1315 L CB -2.134 39.993 42.059 0.114 0.000 0.890 1315 L HN -0.473 7.617 8.230 0.076 0.185 0.435 1316 P HA -0.111 nan 4.420 nan 0.000 0.223 1316 P C 1.222 178.562 177.300 0.068 0.000 1.151 1316 P CA 2.288 65.438 63.100 0.084 0.000 0.787 1316 P CB -0.462 31.304 31.700 0.109 0.000 0.788 1317 G N -1.881 106.941 108.800 0.037 0.000 2.411 1317 G HA2 -0.111 nan 3.960 nan 0.000 0.213 1317 G HA3 -0.111 nan 3.960 nan 0.000 0.213 1317 G C 0.616 175.518 174.900 0.003 0.000 1.166 1317 G CA 0.800 45.911 45.100 0.018 0.000 0.802 1317 G HN -0.110 8.065 8.290 0.026 0.131 0.533 1318 R N -1.484 119.010 120.500 -0.010 0.000 2.211 1318 R HA -0.339 nan 4.340 nan 0.000 0.240 1318 R C -0.326 175.966 176.300 -0.012 0.000 1.144 1318 R CA 1.916 57.996 56.100 -0.032 0.000 0.992 1318 R CB 0.119 30.386 30.300 -0.054 0.000 0.869 1318 R HN -0.468 7.701 8.270 -0.006 0.098 0.462 1319 L N -1.724 119.506 121.223 0.012 0.000 2.504 1319 L HA 0.401 nan 4.340 nan 0.000 0.249 1319 L C -2.163 174.715 176.870 0.013 0.000 1.120 1319 L CA -4.000 50.848 54.840 0.013 0.000 0.997 1319 L CB 0.352 42.427 42.059 0.026 0.000 1.349 1319 L HN -0.512 7.680 8.230 0.022 0.052 0.439 1320 P HA -0.230 nan 4.420 nan 0.000 0.211 1320 P C 1.468 178.798 177.300 0.050 0.000 1.179 1320 P CA 2.832 65.947 63.100 0.026 0.000 0.910 1320 P CB -0.307 31.404 31.700 0.020 0.000 0.785 1321 T N -0.803 113.792 114.554 0.067 0.000 2.833 1321 T HA -0.269 nan 4.350 nan 0.000 0.269 1321 T C 2.379 177.118 174.700 0.065 0.000 1.054 1321 T CA 4.752 66.921 62.100 0.115 0.000 1.135 1321 T CB -0.624 68.342 68.868 0.163 0.000 0.869 1321 T HN 0.232 8.503 8.240 0.050 0.000 0.466 1322 Q N 1.903 121.720 119.800 0.027 0.000 2.016 1322 Q HA -0.255 nan 4.340 nan 0.000 0.200 1322 Q C 1.915 177.923 176.000 0.014 0.000 0.978 1322 Q CA 2.724 58.526 55.803 -0.003 0.000 0.833 1322 Q CB -0.582 28.126 28.738 -0.049 0.000 0.895 1322 Q HN -0.430 7.828 8.270 0.020 0.025 0.427 1323 S N 1.089 116.804 115.700 0.026 0.000 2.370 1323 S HA -0.406 nan 4.470 nan 0.000 0.226 1323 S C 2.453 177.086 174.600 0.055 0.000 1.033 1323 S CA 3.666 61.891 58.200 0.042 0.000 1.011 1323 S CB -0.338 62.884 63.200 0.036 0.000 0.852 1323 S HN 0.037 8.360 8.310 0.022 0.000 0.457 1324 S N 2.339 118.070 115.700 0.052 0.000 2.368 1324 S HA -0.331 nan 4.470 nan 0.000 0.225 1324 S C 1.676 176.315 174.600 0.065 0.000 1.030 1324 S CA 4.068 62.312 58.200 0.073 0.000 0.999 1324 S CB -0.349 62.893 63.200 0.071 0.000 0.844 1324 S HN -0.096 8.242 8.310 0.046 0.000 0.459 1325 Q N 2.306 122.125 119.800 0.032 0.000 2.020 1325 Q HA -0.212 nan 4.340 nan 0.000 0.202 1325 Q C 2.329 178.332 176.000 0.005 0.000 0.982 1325 Q CA 2.825 58.627 55.803 -0.001 0.000 0.838 1325 Q CB -0.412 28.323 28.738 -0.006 0.000 0.899 1325 Q HN -0.167 7.924 8.270 0.035 0.200 0.423 1326 L N -0.914 120.323 121.223 0.023 0.000 2.131 1326 L HA -0.282 nan 4.340 nan 0.000 0.206 1326 L C 1.976 178.871 176.870 0.041 0.000 1.087 1326 L CA 2.727 57.580 54.840 0.020 0.000 0.767 1326 L CB -0.253 41.817 42.059 0.019 0.000 0.917 1326 L HN 0.188 8.436 8.230 0.031 0.000 0.441 1327 Y N 0.315 120.566 120.300 -0.083 0.000 2.097 1327 Y HA -0.494 nan 4.550 nan 0.000 0.282 1327 Y C 1.974 177.791 175.900 -0.138 0.000 1.152 1327 Y CA 3.988 62.000 58.100 -0.146 0.000 1.136 1327 Y CB -0.499 37.858 38.460 -0.172 0.000 0.975 1327 Y HN 0.638 8.912 8.280 0.170 0.108 0.498 1328 G N -2.547 106.239 108.800 -0.022 0.000 2.513 1328 G HA2 -0.580 nan 3.960 nan 0.000 0.219 1328 G HA3 -0.580 nan 3.960 nan 0.000 0.219 1328 G C 1.172 175.994 174.900 -0.130 0.000 1.160 1328 G CA 2.715 47.754 45.100 -0.102 0.000 0.767 1328 G HN 0.232 8.588 8.290 0.110 0.000 0.571 1329 T N 4.488 118.989 114.554 -0.088 0.000 2.821 1329 T HA -0.301 nan 4.350 nan 0.000 0.267 1329 T C 2.396 177.031 174.700 -0.110 0.000 1.046 1329 T CA 5.043 67.094 62.100 -0.081 0.000 1.139 1329 T CB -0.552 68.287 68.868 -0.048 0.000 0.871 1329 T HN -0.259 7.818 8.240 -0.055 0.130 0.454 1330 N N 2.654 121.269 118.700 -0.142 0.000 2.120 1330 N HA -0.292 nan 4.740 nan 0.000 0.188 1330 N C 1.920 177.285 175.510 -0.241 0.000 1.024 1330 N CA 3.756 56.700 53.050 -0.177 0.000 0.852 1330 N CB -0.146 38.215 38.487 -0.211 0.000 1.003 1330 N HN 0.069 8.201 8.380 -0.125 0.173 0.424 1331 L N -0.687 120.334 121.223 -0.336 0.000 2.093 1331 L HA -0.316 nan 4.340 nan 0.000 0.208 1331 L C 1.769 178.511 176.870 -0.214 0.000 1.085 1331 L CA 3.498 58.136 54.840 -0.336 0.000 0.755 1331 L CB -0.431 41.374 42.059 -0.422 0.000 0.904 1331 L HN 0.331 8.257 8.230 -0.381 0.076 0.435 1332 V N 0.327 120.142 119.914 -0.164 0.000 2.295 1332 V HA -0.555 nan 4.120 nan 0.000 0.246 1332 V C 2.047 178.089 176.094 -0.085 0.000 1.049 1332 V CA 4.747 66.984 62.300 -0.104 0.000 1.024 1332 V CB -1.131 30.646 31.823 -0.077 0.000 0.648 1332 V HN 0.446 8.533 8.190 -0.172 0.000 0.447 1333 N N -0.410 118.235 118.700 -0.092 0.000 2.104 1333 N HA -0.326 nan 4.740 nan 0.000 0.190 1333 N C 2.407 177.872 175.510 -0.075 0.000 1.024 1333 N CA 3.380 56.386 53.050 -0.073 0.000 0.853 1333 N CB -0.219 38.225 38.487 -0.072 0.000 1.008 1333 N HN -0.243 7.997 8.380 -0.110 0.074 0.424 1334 L N 0.523 121.683 121.223 -0.106 0.000 1.994 1334 L HA -0.256 nan 4.340 nan 0.000 0.208 1334 L C 1.459 178.280 176.870 -0.082 0.000 1.071 1334 L CA 3.292 58.069 54.840 -0.105 0.000 0.745 1334 L CB 0.119 42.089 42.059 -0.148 0.000 0.892 1334 L HN 0.061 8.211 8.230 -0.134 0.000 0.431 1335 L N -2.875 118.294 121.223 -0.090 0.000 2.362 1335 L HA -0.465 nan 4.340 nan 0.000 0.219 1335 L C 2.348 179.233 176.870 0.024 0.000 1.134 1335 L CA 2.602 57.414 54.840 -0.047 0.000 0.807 1335 L CB -0.758 41.246 42.059 -0.092 0.000 0.927 1335 L HN 0.010 8.169 8.230 -0.118 0.000 0.447 1336 K N -0.158 120.240 120.400 -0.003 0.000 2.026 1336 K HA -0.273 nan 4.320 nan 0.000 0.208 1336 K C 2.014 178.616 176.600 0.004 0.000 1.048 1336 K CA 3.371 59.661 56.287 0.006 0.000 0.929 1336 K CB -0.258 32.234 32.500 -0.013 0.000 0.713 1336 K HN 0.134 8.250 8.250 -0.030 0.116 0.439 1337 L N -3.439 117.776 121.223 -0.013 0.000 2.341 1337 L HA -0.144 nan 4.340 nan 0.000 0.214 1337 L C 1.959 178.824 176.870 -0.007 0.000 1.115 1337 L CA 1.655 56.487 54.840 -0.014 0.000 0.820 1337 L CB 0.311 42.355 42.059 -0.026 0.000 0.944 1337 L HN -0.434 7.682 8.230 -0.026 0.099 0.452 1338 L N -1.712 119.509 121.223 -0.003 0.000 2.313 1338 L HA -0.148 nan 4.340 nan 0.000 0.214 1338 L C -0.621 176.289 176.870 0.068 0.000 1.119 1338 L CA 2.238 57.087 54.840 0.015 0.000 0.809 1338 L CB 0.188 42.245 42.059 -0.004 0.000 0.933 1338 L HN -0.069 8.061 8.230 -0.013 0.092 0.449 1339 C N -3.468 115.882 119.300 0.084 0.000 3.335 1339 C HA 0.165 nan 4.460 nan 0.000 0.217 1339 C C 0.294 175.294 174.990 0.017 0.000 1.330 1339 C CA -1.488 57.576 59.018 0.076 0.000 1.470 1339 C CB -1.945 25.889 27.740 0.155 0.000 1.806 1339 C HN -0.241 7.827 8.230 0.067 0.202 0.468 1340 K N 2.827 123.230 120.400 0.004 0.000 2.057 1340 K HA -0.240 nan 4.320 nan 0.000 0.206 1340 K C 0.723 177.311 176.600 -0.020 0.000 1.050 1340 K CA 3.146 59.429 56.287 -0.007 0.000 0.935 1340 K CB 0.081 32.578 32.500 -0.005 0.000 0.715 1340 K HN 0.225 8.481 8.250 0.009 0.000 0.439 1341 E N -2.204 117.978 120.200 -0.030 0.000 2.072 1341 E HA -0.105 nan 4.350 nan 0.000 0.190 1341 E C -0.131 176.432 176.600 -0.062 0.000 0.982 1341 E CA 0.721 57.096 56.400 -0.042 0.000 0.803 1341 E CB 0.180 29.854 29.700 -0.044 0.000 0.755 1341 E HN -0.046 8.298 8.360 -0.026 0.000 0.453 1342 K N -1.300 119.044 120.400 -0.094 0.000 4.868 1342 K HA -0.319 nan 4.320 nan 0.000 0.324 1342 K C -0.775 175.751 176.600 -0.124 0.000 0.971 1342 K CA -0.140 56.068 56.287 -0.131 0.000 1.034 1342 K CB -0.802 31.643 32.500 -0.092 0.000 1.672 1342 K HN -0.052 8.138 8.250 -0.099 0.000 0.426 1343 D N 0.075 120.391 120.400 -0.139 0.000 4.376 1343 D HA -0.287 nan 4.640 nan 0.000 0.184 1343 D C -0.712 175.406 176.300 -0.302 0.000 0.937 1343 D CA 1.083 54.978 54.000 -0.176 0.000 2.091 1343 D CB -0.372 40.348 40.800 -0.134 0.000 1.128 1343 D HN 0.210 8.510 8.370 -0.117 0.000 0.422 1344 G N 1.676 110.194 108.800 -0.470 0.000 2.546 1344 G HA2 -0.524 nan 3.960 nan 0.000 0.285 1344 G HA3 -0.524 nan 3.960 nan 0.000 0.285 1344 G C -2.127 172.314 174.900 -0.765 0.000 1.105 1344 G CA 0.301 44.793 45.100 -1.013 0.000 1.189 1344 G HN 0.190 8.262 8.290 -0.362 0.000 0.534 1345 N N -1.110 117.363 118.700 -0.379 0.000 2.264 1345 N HA 0.097 nan 4.740 nan 0.000 0.288 1345 N C -1.266 174.344 175.510 0.167 0.000 1.094 1345 N CA -1.474 51.558 53.050 -0.029 0.000 0.817 1345 N CB 3.081 41.540 38.487 -0.046 0.000 1.604 1345 N HN -0.670 7.637 8.380 -0.314 -0.116 0.473 1346 I N 3.748 124.458 120.570 0.233 0.000 2.357 1346 I HA -0.072 nan 4.170 nan 0.000 0.300 1346 I C -0.598 175.570 176.117 0.085 0.000 1.159 1346 I CA 0.079 61.481 61.300 0.171 0.000 1.339 1346 I CB -1.289 36.759 38.000 0.081 0.000 1.458 1346 I HN 0.487 8.814 8.210 0.195 0.000 0.577 1347 T N 9.905 124.502 114.554 0.071 0.000 3.176 1347 T HA 0.063 nan 4.350 nan 0.000 0.301 1347 T C -0.542 174.173 174.700 0.024 0.000 1.115 1347 T CA -0.298 61.830 62.100 0.047 0.000 1.027 1347 T CB -1.152 67.738 68.868 0.036 0.000 1.063 1347 T HN 0.374 8.645 8.240 0.090 0.023 0.669 1348 V N 6.384 126.311 119.914 0.021 0.000 2.479 1348 V HA -0.136 nan 4.120 nan 0.000 0.281 1348 V C -0.476 175.587 176.094 -0.051 0.000 1.031 1348 V CA 0.394 62.665 62.300 -0.048 0.000 1.038 1348 V CB 0.001 31.789 31.823 -0.059 0.000 0.981 1348 V HN -0.156 8.062 8.190 0.047 0.000 0.478 1349 D N 5.030 125.361 120.400 -0.116 0.000 2.225 1349 D HA 0.098 nan 4.640 nan 0.000 0.249 1349 D C -1.315 174.854 176.300 -0.217 0.000 1.052 1349 D CA -0.218 53.752 54.000 -0.050 0.000 0.909 1349 D CB 2.794 43.575 40.800 -0.031 0.000 1.186 1349 D HN 0.088 8.378 8.370 -0.135 0.000 0.431 1350 F N -0.406 119.548 119.950 0.006 0.000 2.553 1350 F HA 0.106 nan 4.527 nan 0.000 0.282 1350 F C 0.715 176.517 175.800 0.004 0.000 1.089 1350 F CA 1.424 59.428 58.000 0.007 0.000 1.411 1350 F CB 1.548 40.552 39.000 0.007 0.000 1.125 1350 F HN 0.084 8.555 8.300 0.285 0.000 0.610 1351 D N -1.458 119.042 120.400 0.166 0.000 2.219 1351 D HA -0.140 nan 4.640 nan 0.000 0.205 1351 D C -0.084 176.245 176.300 0.049 0.000 0.970 1351 D CA 1.467 55.523 54.000 0.092 0.000 0.851 1351 D CB 0.781 41.623 40.800 0.070 0.000 0.943 1351 D HN -0.544 8.077 8.370 0.174 -0.147 0.488 1352 D N 1.281 121.698 120.400 0.028 0.000 2.383 1352 D HA -0.024 nan 4.640 nan 0.000 0.245 1352 D C 1.375 177.668 176.300 -0.013 0.000 1.263 1352 D CA -0.022 53.978 54.000 0.001 0.000 0.936 1352 D CB 0.494 41.285 40.800 -0.015 0.000 1.053 1352 D HN -0.569 8.079 8.370 0.035 -0.257 0.507 1353 V N 2.264 122.178 119.914 0.001 0.000 2.568 1353 V HA -0.272 nan 4.120 nan 0.000 0.253 1353 V C 1.127 177.211 176.094 -0.016 0.000 1.072 1353 V CA 2.940 65.240 62.300 -0.000 0.000 1.084 1353 V CB -1.120 30.708 31.823 0.008 0.000 0.676 1353 V HN 0.081 8.275 8.190 0.007 0.000 0.469 1354 V N -2.174 117.728 119.914 -0.020 0.000 2.427 1354 V HA -0.341 nan 4.120 nan 0.000 0.248 1354 V C 1.188 177.255 176.094 -0.046 0.000 1.051 1354 V CA 3.037 65.323 62.300 -0.023 0.000 1.048 1354 V CB -1.029 30.783 31.823 -0.018 0.000 0.666 1354 V HN -0.680 7.640 8.190 -0.018 -0.141 0.456 1355 I N 0.715 121.243 120.570 -0.071 0.000 2.202 1355 I HA -0.489 nan 4.170 nan 0.000 0.242 1355 I C 1.481 177.496 176.117 -0.170 0.000 1.091 1355 I CA 3.729 64.959 61.300 -0.118 0.000 1.368 1355 I CB -0.616 37.306 38.000 -0.131 0.000 1.058 1355 I HN -1.037 7.303 8.210 -0.061 -0.166 0.410 1356 R N -0.084 120.313 120.500 -0.173 0.000 2.139 1356 R HA -0.361 nan 4.340 nan 0.000 0.243 1356 R C 1.799 178.066 176.300 -0.054 0.000 1.145 1356 R CA 2.791 58.791 56.100 -0.167 0.000 0.976 1356 R CB -0.810 29.466 30.300 -0.040 0.000 0.866 1356 R HN 0.083 8.275 8.270 -0.131 0.000 0.449 1357 G N -2.352 106.436 108.800 -0.019 0.000 2.511 1357 G HA2 -0.155 nan 3.960 nan 0.000 0.216 1357 G HA3 -0.155 nan 3.960 nan 0.000 0.216 1357 G C 1.221 176.154 174.900 0.055 0.000 1.218 1357 G CA 1.619 46.741 45.100 0.037 0.000 0.788 1357 G HN -0.363 7.718 8.290 -0.030 0.191 0.560 1358 V N 1.327 121.238 119.914 -0.005 0.000 2.392 1358 V HA -0.218 nan 4.120 nan 0.000 0.249 1358 V C 1.609 177.682 176.094 -0.036 0.000 1.059 1358 V CA 2.598 64.883 62.300 -0.025 0.000 1.051 1358 V CB -0.560 31.222 31.823 -0.068 0.000 0.658 1358 V HN -0.464 7.707 8.190 -0.031 0.000 0.455 1359 T N 2.730 117.240 114.554 -0.073 0.000 3.859 1359 T HA 0.014 nan 4.350 nan 0.000 0.251 1359 T C 1.146 175.858 174.700 0.021 0.000 1.079 1359 T CA 1.638 63.689 62.100 -0.082 0.000 1.151 1359 T CB -2.563 66.161 68.868 -0.239 0.000 1.173 1359 T HN 0.027 8.182 8.240 -0.101 0.024 0.885 1360 V N 1.131 121.073 119.914 0.047 0.000 2.453 1360 V HA 0.038 nan 4.120 nan 0.000 0.247 1360 V C -0.715 175.443 176.094 0.105 0.000 1.048 1360 V CA 2.384 64.751 62.300 0.112 0.000 1.049 1360 V CB 0.309 32.109 31.823 -0.039 0.000 0.672 1360 V HN 0.229 8.391 8.190 0.001 0.029 0.457 1361 I N -2.007 118.597 120.570 0.057 0.000 2.533 1361 I HA 0.447 nan 4.170 nan 0.000 0.290 1361 I C -2.262 173.897 176.117 0.072 0.000 1.056 1361 I CA -1.052 60.289 61.300 0.069 0.000 1.057 1361 I CB 3.358 41.379 38.000 0.036 0.000 1.240 1361 I HN -0.445 7.780 8.210 0.026 0.000 0.423 1362 R N 6.287 126.852 120.500 0.109 0.000 2.439 1362 R HA 0.302 nan 4.340 nan 0.000 0.310 1362 R C -0.914 175.443 176.300 0.095 0.000 0.955 1362 R CA -1.742 54.427 56.100 0.115 0.000 0.853 1362 R CB 2.229 32.656 30.300 0.212 0.000 1.171 1362 R HN 0.650 8.997 8.270 0.129 0.000 0.449 1363 A N 6.424 129.284 122.820 0.066 0.000 2.704 1363 A HA -0.405 nan 4.320 nan 0.000 0.299 1363 A C -0.572 177.039 177.584 0.045 0.000 1.507 1363 A CA 1.091 53.159 52.037 0.051 0.000 0.776 1363 A CB -2.003 17.030 19.000 0.056 0.000 1.027 1363 A HN 0.551 8.804 8.150 0.056 -0.069 0.475 1364 G N -3.264 105.562 108.800 0.043 0.000 2.953 1364 G HA2 -0.419 nan 3.960 nan 0.000 0.201 1364 G HA3 -0.419 nan 3.960 nan 0.000 0.201 1364 G C -0.959 173.967 174.900 0.044 0.000 1.501 1364 G CA -0.116 45.006 45.100 0.037 0.000 1.094 1364 G HN -0.311 7.998 8.290 0.043 0.006 0.555 1365 E N 3.435 123.667 120.200 0.054 0.000 2.289 1365 E HA 0.077 nan 4.350 nan 0.000 0.278 1365 E C -0.325 176.326 176.600 0.084 0.000 1.032 1365 E CA -1.468 54.968 56.400 0.060 0.000 0.854 1365 E CB 1.071 30.804 29.700 0.054 0.000 1.046 1365 E HN -0.499 7.895 8.360 0.057 0.000 0.409 1366 I N 5.646 126.268 120.570 0.087 0.000 2.664 1366 I HA -0.198 nan 4.170 nan 0.000 0.284 1366 I C 0.290 176.497 176.117 0.151 0.000 1.154 1366 I CA 1.250 62.621 61.300 0.119 0.000 1.402 1366 I CB -0.676 37.399 38.000 0.125 0.000 1.395 1366 I HN 0.393 8.648 8.210 0.074 0.000 0.545 1367 T N 4.557 119.221 114.554 0.183 0.000 3.086 1367 T HA 0.191 nan 4.350 nan 0.000 0.250 1367 T C -0.007 174.837 174.700 0.240 0.000 1.074 1367 T CA -0.489 61.737 62.100 0.209 0.000 0.988 1367 T CB -0.111 68.917 68.868 0.268 0.000 0.988 1367 T HN 0.341 8.589 8.240 0.171 0.094 0.530 1368 W N 4.253 125.583 121.300 0.050 0.000 2.148 1368 W HA -0.024 nan 4.660 nan 0.000 0.347 1368 W C -1.803 174.738 176.519 0.038 0.000 1.288 1368 W CA 0.080 57.447 57.345 0.038 0.000 1.252 1368 W CB -0.426 29.053 29.460 0.032 0.000 1.156 1368 W HN -0.271 8.087 8.180 0.368 0.043 0.580 1369 P HA 0.202 nan 4.420 nan 0.000 0.337 1369 P C -2.052 175.115 177.300 -0.221 0.000 1.340 1369 P CA -0.606 62.047 63.100 -0.745 0.000 0.764 1369 P CB 1.203 32.412 31.700 -0.818 0.000 1.718 1370 A N -4.471 118.243 122.820 -0.178 0.000 2.606 1370 A HA 0.318 nan 4.320 nan 0.000 0.293 1370 A C -2.641 174.909 177.584 -0.055 0.000 1.082 1370 A CA -1.537 50.469 52.037 -0.052 0.000 0.685 1370 A CB 0.568 19.566 19.000 -0.005 0.000 1.284 1370 A HN 0.026 8.026 8.150 -0.249 0.000 0.408 1371 P HA -0.000 nan 4.420 nan 0.000 0.255 1371 P C -1.175 176.112 177.300 -0.022 0.000 1.161 1371 P CA -0.691 62.396 63.100 -0.020 0.000 0.768 1371 P CB 0.370 32.069 31.700 -0.001 0.000 0.746 1372 P HA 0.012 nan 4.420 nan 0.000 0.242 1372 P C -1.192 176.100 177.300 -0.013 0.000 1.197 1372 P CA 0.727 63.813 63.100 -0.023 0.000 0.765 1372 P CB 0.237 31.917 31.700 -0.034 0.000 0.936 1373 I N 0.000 120.564 120.570 -0.010 0.000 2.984 1373 I HA 0.000 4.254 4.170 0.140 0.000 0.288 1373 I CA 0.000 nan 61.300 nan 0.000 1.566 1373 I CB 0.000 nan 38.000 nan 0.000 1.214 1373 I HN 0.000 nan 8.210 nan 0.000 0.494