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 2noj_1_G DATA FIRST_RESID 997 DATA SEQUENCE AERLKHLIVT PSGAGEQNMI GMTPTVIAVH YLDETEQWEK FGLEKRQGAL DATA SEQUENCE ELIKKGYTQQ LAFRQPSSAF AAFVKRAPST WLTAYVVKVF SLAVNLIAID DATA SEQUENCE SQVLcGAVKW LILEKQKPDG VFQEDAPVIH QEMIGGLRNN NEKDMALTAF DATA SEQUENCE VLISLQEAKD IcEEQVNSLP GSITKAGDFL EANYMNLQRS YTVAIAGYAX DATA SEQUENCE XQMGRLKGPL LNKFLTTAKD XXRWEDPGKQ LYNVEATSYA LLALLQXKDF DATA SEQUENCE XFVPPVVRWL NEQRYYGGGY GSTQATFMVF QALAQYQKDA 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 997 A HA 0.000 nan 4.320 nan 0.000 0.244 997 A C 0.000 177.638 177.584 0.091 0.000 1.274 997 A CA 0.000 52.127 52.037 0.150 0.000 0.836 997 A CB 0.000 19.087 19.000 0.145 0.000 0.831 998 E N -0.167 120.058 120.200 0.042 0.000 2.476 998 E HA 0.450 4.801 4.350 0.001 0.000 0.191 998 E C 0.829 177.404 176.600 -0.042 0.000 1.064 998 E CA 1.347 57.735 56.400 -0.020 0.000 0.866 998 E CB -0.550 29.146 29.700 -0.005 0.000 0.952 998 E HN 1.668 nan 8.360 nan 0.000 0.492 999 R N 0.137 120.634 120.500 -0.004 0.000 2.533 999 R HA 0.594 4.934 4.340 0.001 0.000 0.268 999 R C 0.192 176.530 176.300 0.065 0.000 1.303 999 R CA -0.137 55.959 56.100 -0.006 0.000 1.429 999 R CB -1.129 29.164 30.300 -0.012 0.000 1.361 999 R HN 0.314 nan 8.270 nan 0.000 0.745 1000 L N 0.019 121.311 121.223 0.115 0.000 3.358 1000 L HA 0.250 4.590 4.340 0.001 0.000 0.301 1000 L C 2.164 179.205 176.870 0.284 0.000 1.276 1000 L CA 0.479 55.477 54.840 0.263 0.000 1.028 1000 L CB 1.242 43.374 42.059 0.121 0.000 1.421 1000 L HN 0.515 nan 8.230 nan 0.000 0.604 1001 K N -0.341 120.155 120.400 0.160 0.000 2.209 1001 K HA -0.167 4.153 4.320 0.001 0.000 0.204 1001 K C 1.644 178.351 176.600 0.178 0.000 1.048 1001 K CA 1.608 57.963 56.287 0.113 0.000 0.940 1001 K CB -0.926 31.552 32.500 -0.036 0.000 0.729 1001 K HN 0.642 nan 8.250 nan 0.000 0.451 1002 H N -0.193 118.897 119.070 0.033 0.000 2.574 1002 H HA 0.176 4.732 4.556 0.001 0.000 0.277 1002 H C 0.959 176.312 175.328 0.040 0.000 1.058 1002 H CA 0.302 56.371 56.048 0.035 0.000 1.171 1002 H CB -0.540 29.236 29.762 0.022 0.000 1.304 1002 H HN 0.399 nan 8.280 nan 0.000 0.620 1003 L N 0.387 121.435 121.223 -0.292 0.000 2.766 1003 L HA 0.181 4.521 4.340 0.001 0.000 0.242 1003 L C 0.275 177.090 176.870 -0.093 0.000 1.136 1003 L CA -0.172 54.482 54.840 -0.309 0.000 0.933 1003 L CB 0.506 42.364 42.059 -0.336 0.000 1.241 1003 L HN 0.099 nan 8.230 nan 0.000 0.522 1004 I N 2.137 122.707 120.570 -0.000 0.000 2.227 1004 I HA 0.106 4.276 4.170 0.001 0.000 0.297 1004 I C 0.002 176.141 176.117 0.036 0.000 1.173 1004 I CA 0.148 61.474 61.300 0.044 0.000 1.356 1004 I CB 0.180 38.241 38.000 0.102 0.000 1.485 1004 I HN -0.215 nan 8.210 nan 0.000 0.604 1005 V N 4.849 124.775 119.914 0.021 0.000 2.394 1005 V HA 0.271 4.391 4.120 0.001 0.000 0.282 1005 V C 0.704 176.821 176.094 0.038 0.000 1.031 1005 V CA -0.558 61.759 62.300 0.029 0.000 0.881 1005 V CB 1.706 33.541 31.823 0.020 0.000 0.982 1005 V HN 0.578 nan 8.190 nan 0.000 0.451 1006 T N 8.006 122.586 114.554 0.043 0.000 2.727 1006 T HA 0.247 4.597 4.350 0.001 0.000 0.295 1006 T C -2.071 172.655 174.700 0.044 0.000 0.915 1006 T CA -0.607 61.520 62.100 0.045 0.000 1.066 1006 T CB 0.611 69.506 68.868 0.045 0.000 0.891 1006 T HN 0.566 nan 8.240 nan 0.000 0.516 1007 P HA 0.272 nan 4.420 nan 0.000 0.271 1007 P C -0.638 176.694 177.300 0.052 0.000 1.216 1007 P CA -0.244 62.882 63.100 0.044 0.000 0.776 1007 P CB 0.813 32.544 31.700 0.052 0.000 0.881 1008 S N 0.321 116.047 115.700 0.044 0.000 2.636 1008 S HA 0.765 5.236 4.470 0.001 0.000 0.266 1008 S C -0.190 174.438 174.600 0.047 0.000 1.147 1008 S CA -0.060 58.178 58.200 0.063 0.000 0.815 1008 S CB 1.140 64.376 63.200 0.059 0.000 1.119 1008 S HN 0.948 nan 8.310 nan 0.000 0.470 1009 G N 0.337 109.189 108.800 0.086 0.000 2.500 1009 G HA2 0.462 4.423 3.960 0.001 0.000 0.209 1009 G HA3 0.462 4.423 3.960 0.001 0.000 0.209 1009 G C 0.095 175.061 174.900 0.110 0.000 1.283 1009 G CA -0.111 45.028 45.100 0.066 0.000 0.960 1009 G HN 1.994 nan 8.290 nan 0.000 0.528 1010 A N -0.802 122.004 122.820 -0.023 0.000 2.267 1010 A HA 0.705 5.025 4.320 0.001 0.000 0.271 1010 A C 2.135 179.372 177.584 -0.578 0.000 1.131 1010 A CA 1.099 53.049 52.037 -0.146 0.000 0.818 1010 A CB -0.235 18.496 19.000 -0.449 0.000 1.118 1010 A HN 2.508 nan 8.150 nan 0.000 0.501 1011 G N -1.284 106.986 108.800 -0.883 0.000 2.499 1011 G HA2 -0.171 3.790 3.960 0.001 0.000 0.221 1011 G HA3 -0.171 3.790 3.960 0.001 0.000 0.221 1011 G C 1.080 175.571 174.900 -0.682 0.000 1.109 1011 G CA 1.459 45.791 45.100 -1.280 0.000 0.749 1011 G HN 0.824 nan 8.290 nan 0.000 0.568 1012 E N -0.337 119.593 120.200 -0.450 0.000 2.057 1012 E HA -0.007 4.344 4.350 0.001 0.000 0.191 1012 E C 2.642 179.044 176.600 -0.330 0.000 0.959 1012 E CA 0.235 56.460 56.400 -0.291 0.000 0.828 1012 E CB -0.163 29.434 29.700 -0.171 0.000 0.800 1012 E HN 0.384 nan 8.360 nan 0.000 0.460 1013 Q N 1.119 120.677 119.800 -0.404 0.000 2.096 1013 Q HA -0.262 4.078 4.340 0.001 0.000 0.208 1013 Q C 2.064 177.941 176.000 -0.206 0.000 0.993 1013 Q CA 1.777 57.376 55.803 -0.340 0.000 0.862 1013 Q CB -0.407 28.173 28.738 -0.264 0.000 0.915 1013 Q HN 0.138 nan 8.270 nan 0.000 0.416 1014 N N 0.079 118.646 118.700 -0.221 0.000 2.091 1014 N HA -0.187 4.554 4.740 0.001 0.000 0.193 1014 N C 1.596 177.030 175.510 -0.127 0.000 1.021 1014 N CA 1.483 54.441 53.050 -0.154 0.000 0.862 1014 N CB 0.010 38.363 38.487 -0.223 0.000 1.018 1014 N HN 0.127 nan 8.380 nan 0.000 0.429 1015 M N 0.007 119.503 119.600 -0.173 0.000 2.254 1015 M HA 0.026 4.506 4.480 0.001 0.000 0.265 1015 M C 1.864 178.167 176.300 0.005 0.000 1.066 1015 M CA 0.778 56.034 55.300 -0.073 0.000 1.123 1015 M CB -0.750 31.829 32.600 -0.036 0.000 1.388 1015 M HN 0.269 nan 8.290 nan 0.000 0.425 1016 I N -0.398 120.143 120.570 -0.048 0.000 2.423 1016 I HA -0.221 3.949 4.170 0.001 0.000 0.254 1016 I C 2.312 178.433 176.117 0.006 0.000 1.151 1016 I CA 1.281 62.564 61.300 -0.029 0.000 1.421 1016 I CB -0.826 37.122 38.000 -0.088 0.000 1.079 1016 I HN 0.321 nan 8.210 nan 0.000 0.431 1017 G N 0.026 108.824 108.800 -0.003 0.000 2.453 1017 G HA2 -0.068 3.892 3.960 0.001 0.000 0.215 1017 G HA3 -0.068 3.892 3.960 0.001 0.000 0.215 1017 G C 1.700 176.621 174.900 0.036 0.000 1.147 1017 G CA -0.003 45.109 45.100 0.018 0.000 0.802 1017 G HN 0.187 nan 8.290 nan 0.000 0.535 1018 M N 0.643 120.266 119.600 0.037 0.000 2.288 1018 M HA -0.010 4.470 4.480 0.001 0.000 0.266 1018 M C 2.702 179.041 176.300 0.064 0.000 1.072 1018 M CA 1.021 56.352 55.300 0.051 0.000 1.132 1018 M CB -0.318 32.313 32.600 0.051 0.000 1.386 1018 M HN 0.123 nan 8.290 nan 0.000 0.432 1019 T N 1.612 116.211 114.554 0.076 0.000 2.607 1019 T HA -0.121 4.229 4.350 0.001 0.000 0.267 1019 T C -0.697 174.103 174.700 0.167 0.000 1.049 1019 T CA 1.789 63.972 62.100 0.139 0.000 1.162 1019 T CB -1.561 67.418 68.868 0.185 0.000 0.863 1019 T HN 0.318 nan 8.240 nan 0.000 0.424 1020 P HA -0.118 nan 4.420 nan 0.000 0.213 1020 P C 1.514 178.823 177.300 0.016 0.000 1.170 1020 P CA 1.689 64.814 63.100 0.042 0.000 0.898 1020 P CB -0.453 31.240 31.700 -0.012 0.000 0.787 1021 T N 0.604 115.174 114.554 0.025 0.000 2.652 1021 T HA -0.100 4.251 4.350 0.001 0.000 0.267 1021 T C 2.105 176.837 174.700 0.052 0.000 1.039 1021 T CA 1.687 63.803 62.100 0.026 0.000 1.153 1021 T CB -1.281 67.612 68.868 0.041 0.000 0.863 1021 T HN -0.120 nan 8.240 nan 0.000 0.428 1022 V N 1.162 121.129 119.914 0.088 0.000 2.255 1022 V HA -0.155 3.965 4.120 0.001 0.000 0.247 1022 V C 2.408 178.595 176.094 0.155 0.000 1.051 1022 V CA 1.496 63.868 62.300 0.119 0.000 1.018 1022 V CB -0.669 31.232 31.823 0.130 0.000 0.641 1022 V HN 0.318 nan 8.190 nan 0.000 0.445 1023 I N 0.346 121.032 120.570 0.194 0.000 2.142 1023 I HA -0.169 4.002 4.170 0.001 0.000 0.240 1023 I C 2.463 178.610 176.117 0.051 0.000 1.078 1023 I CA 1.618 63.017 61.300 0.165 0.000 1.343 1023 I CB -0.893 37.225 38.000 0.197 0.000 1.046 1023 I HN 0.201 nan 8.210 nan 0.000 0.405 1024 A N -0.126 122.641 122.820 -0.087 0.000 1.870 1024 A HA -0.281 4.040 4.320 0.001 0.000 0.219 1024 A C 2.397 179.859 177.584 -0.204 0.000 1.224 1024 A CA 3.052 54.935 52.037 -0.257 0.000 0.650 1024 A CB -1.552 17.294 19.000 -0.257 0.000 0.836 1024 A HN 0.325 nan 8.150 nan 0.000 0.454 1025 V N -0.362 119.505 119.914 -0.078 0.000 2.282 1025 V HA -0.356 3.764 4.120 0.001 0.000 0.249 1025 V C 2.482 178.620 176.094 0.073 0.000 1.057 1025 V CA 2.833 65.163 62.300 0.050 0.000 1.032 1025 V CB -1.240 30.693 31.823 0.184 0.000 0.645 1025 V HN 0.860 nan 8.190 nan 0.000 0.447 1026 H N -1.004 118.073 119.070 0.011 0.000 2.319 1026 H HA -0.257 4.299 4.556 0.001 0.000 0.299 1026 H C 2.120 177.445 175.328 -0.005 0.000 1.092 1026 H CA 2.540 58.602 56.048 0.022 0.000 1.302 1026 H CB -0.369 29.413 29.762 0.033 0.000 1.373 1026 H HN 0.493 nan 8.280 nan 0.000 0.497 1027 Y N 0.631 120.836 120.300 -0.157 0.000 2.089 1027 Y HA -0.170 4.380 4.550 0.001 0.000 0.282 1027 Y C 2.361 178.063 175.900 -0.331 0.000 1.139 1027 Y CA 1.879 59.834 58.100 -0.241 0.000 1.123 1027 Y CB -0.596 37.705 38.460 -0.265 0.000 0.980 1027 Y HN 0.216 nan 8.280 nan 0.000 0.493 1028 L N -0.039 120.911 121.223 -0.455 0.000 2.187 1028 L HA -0.255 4.086 4.340 0.001 0.000 0.213 1028 L C 1.892 178.391 176.870 -0.618 0.000 1.100 1028 L CA 1.468 55.809 54.840 -0.832 0.000 0.765 1028 L CB -0.601 40.494 42.059 -1.607 0.000 0.904 1028 L HN 0.274 nan 8.230 nan 0.000 0.437 1029 D N -0.088 120.179 120.400 -0.222 0.000 2.123 1029 D HA -0.129 4.511 4.640 0.001 0.000 0.200 1029 D C 2.120 178.355 176.300 -0.108 0.000 0.976 1029 D CA 1.088 55.125 54.000 0.062 0.000 0.831 1029 D CB 0.052 40.909 40.800 0.096 0.000 0.974 1029 D HN 0.416 nan 8.370 nan 0.000 0.469 1030 E N -0.147 119.891 120.200 -0.271 0.000 2.170 1030 E HA -0.058 4.292 4.350 0.001 0.000 0.191 1030 E C 1.918 178.351 176.600 -0.277 0.000 0.981 1030 E CA 1.103 57.343 56.400 -0.267 0.000 0.830 1030 E CB 0.072 29.571 29.700 -0.334 0.000 0.775 1030 E HN 0.292 nan 8.360 nan 0.000 0.470 1031 T N -1.603 112.695 114.554 -0.427 0.000 3.081 1031 T HA 0.006 4.356 4.350 0.001 0.000 0.255 1031 T C 0.433 174.974 174.700 -0.266 0.000 1.113 1031 T CA 0.258 62.104 62.100 -0.424 0.000 1.082 1031 T CB -0.166 68.243 68.868 -0.764 0.000 0.939 1031 T HN 0.141 nan 8.240 nan 0.000 0.506 1032 E N 0.738 120.810 120.200 -0.212 0.000 2.476 1032 E HA -0.228 4.122 4.350 0.001 0.000 0.251 1032 E C 0.079 176.637 176.600 -0.069 0.000 1.130 1032 E CA 0.520 56.879 56.400 -0.069 0.000 0.736 1032 E CB -1.820 27.860 29.700 -0.033 0.000 1.298 1032 E HN 0.723 nan 8.360 nan 0.000 0.400 1033 Q N -1.086 118.594 119.800 -0.199 0.000 2.225 1033 Q HA 0.052 4.392 4.340 0.001 0.000 0.222 1033 Q C 0.842 176.807 176.000 -0.060 0.000 0.887 1033 Q CA -0.141 55.590 55.803 -0.119 0.000 0.958 1033 Q CB 0.043 28.695 28.738 -0.144 0.000 1.058 1033 Q HN 0.454 nan 8.270 nan 0.000 0.459 1034 W N 1.385 122.673 121.300 -0.020 0.000 2.408 1034 W HA -0.200 4.460 4.660 0.001 0.000 0.311 1034 W C 2.755 179.325 176.519 0.085 0.000 1.190 1034 W CA 1.505 58.853 57.345 0.004 0.000 1.321 1034 W CB -0.081 29.343 29.460 -0.059 0.000 1.143 1034 W HN 0.406 nan 8.180 nan 0.000 0.501 1035 E N 0.906 121.290 120.200 0.307 0.000 2.130 1035 E HA -0.260 4.091 4.350 0.001 0.000 0.196 1035 E C 1.640 178.343 176.600 0.171 0.000 0.998 1035 E CA 2.419 58.935 56.400 0.192 0.000 0.806 1035 E CB -1.359 28.411 29.700 0.116 0.000 0.738 1035 E HN 0.356 nan 8.360 nan 0.000 0.459 1036 K N -1.070 119.423 120.400 0.155 0.000 2.522 1036 K HA 0.470 4.791 4.320 0.001 0.000 0.194 1036 K C 1.368 178.057 176.600 0.149 0.000 1.026 1036 K CA 0.784 57.138 56.287 0.112 0.000 1.119 1036 K CB -0.741 31.800 32.500 0.069 0.000 0.856 1036 K HN 0.593 nan 8.250 nan 0.000 0.513 1037 F N -1.101 118.883 119.950 0.057 0.000 2.496 1037 F HA 0.412 4.940 4.527 0.001 0.000 0.274 1037 F C 0.672 176.535 175.800 0.104 0.000 0.924 1037 F CA 0.932 58.961 58.000 0.048 0.000 1.147 1037 F CB 1.588 40.589 39.000 0.001 0.000 0.969 1037 F HN 0.270 nan 8.300 nan 0.000 0.749 1038 G N 1.517 110.652 108.800 0.558 0.000 2.308 1038 G HA2 0.037 3.997 3.960 0.001 0.000 0.182 1038 G HA3 0.037 3.997 3.960 0.001 0.000 0.182 1038 G C 0.020 175.199 174.900 0.464 0.000 1.488 1038 G CA -0.261 45.091 45.100 0.419 0.000 1.144 1038 G HN 0.293 nan 8.290 nan 0.000 0.608 1039 L N 0.970 122.351 121.223 0.264 0.000 2.079 1039 L HA -0.095 4.245 4.340 0.001 0.000 0.210 1039 L C 2.768 179.623 176.870 -0.025 0.000 1.081 1039 L CA 2.103 56.992 54.840 0.083 0.000 0.752 1039 L CB -0.226 41.845 42.059 0.019 0.000 0.896 1039 L HN 0.820 nan 8.230 nan 0.000 0.433 1040 E N 0.388 120.615 120.200 0.045 0.000 2.510 1040 E HA -0.200 4.151 4.350 0.001 0.000 0.202 1040 E C 1.425 178.048 176.600 0.039 0.000 1.072 1040 E CA 0.778 57.191 56.400 0.020 0.000 0.883 1040 E CB -0.186 29.539 29.700 0.042 0.000 0.818 1040 E HN 0.504 nan 8.360 nan 0.000 0.548 1041 K N 0.339 120.800 120.400 0.103 0.000 2.360 1041 K HA 0.138 4.458 4.320 0.001 0.000 0.196 1041 K C 1.869 178.503 176.600 0.057 0.000 1.049 1041 K CA -0.225 56.160 56.287 0.163 0.000 1.049 1041 K CB 0.288 33.035 32.500 0.411 0.000 0.881 1041 K HN -0.003 nan 8.250 nan 0.000 0.542 1042 R N 1.529 121.871 120.500 -0.263 0.000 2.081 1042 R HA -0.173 4.167 4.340 0.001 0.000 0.235 1042 R C 2.170 178.344 176.300 -0.210 0.000 1.131 1042 R CA 1.540 57.338 56.100 -0.502 0.000 0.960 1042 R CB 0.082 29.627 30.300 -1.260 0.000 0.856 1042 R HN -0.034 nan 8.270 nan 0.000 0.436 1043 Q N -0.221 119.469 119.800 -0.183 0.000 2.291 1043 Q HA -0.063 4.278 4.340 0.001 0.000 0.206 1043 Q C 1.583 177.558 176.000 -0.043 0.000 0.976 1043 Q CA 1.856 57.596 55.803 -0.106 0.000 0.875 1043 Q CB -0.360 28.322 28.738 -0.093 0.000 0.927 1043 Q HN 0.503 nan 8.270 nan 0.000 0.450 1044 G N -0.992 107.801 108.800 -0.012 0.000 2.453 1044 G HA2 0.023 3.984 3.960 0.001 0.000 0.215 1044 G HA3 0.023 3.984 3.960 0.001 0.000 0.215 1044 G C 1.328 176.253 174.900 0.041 0.000 1.147 1044 G CA 0.497 45.612 45.100 0.025 0.000 0.802 1044 G HN 0.450 nan 8.290 nan 0.000 0.535 1045 A N 0.397 123.249 122.820 0.053 0.000 1.903 1045 A HA 0.267 4.587 4.320 0.001 0.000 0.213 1045 A C 2.258 179.868 177.584 0.044 0.000 1.185 1045 A CA 0.807 52.887 52.037 0.070 0.000 0.628 1045 A CB -0.322 18.752 19.000 0.123 0.000 0.830 1045 A HN 0.243 nan 8.150 nan 0.000 0.446 1046 L N 0.235 121.467 121.223 0.015 0.000 2.042 1046 L HA -0.179 4.162 4.340 0.001 0.000 0.210 1046 L C 2.457 179.326 176.870 -0.002 0.000 1.076 1046 L CA 1.761 56.597 54.840 -0.007 0.000 0.749 1046 L CB -0.482 41.548 42.059 -0.048 0.000 0.893 1046 L HN 0.337 nan 8.230 nan 0.000 0.432 1047 E N -0.518 119.682 120.200 0.001 0.000 2.072 1047 E HA -0.169 4.182 4.350 0.001 0.000 0.191 1047 E C 2.390 179.007 176.600 0.028 0.000 0.985 1047 E CA 1.053 57.459 56.400 0.010 0.000 0.801 1047 E CB -0.377 29.328 29.700 0.009 0.000 0.750 1047 E HN 0.451 nan 8.360 nan 0.000 0.452 1048 L N 0.516 121.760 121.223 0.036 0.000 2.046 1048 L HA -0.137 4.204 4.340 0.001 0.000 0.208 1048 L C 2.564 179.467 176.870 0.055 0.000 1.077 1048 L CA 0.881 55.749 54.840 0.047 0.000 0.747 1048 L CB -0.391 41.697 42.059 0.049 0.000 0.896 1048 L HN 0.095 nan 8.230 nan 0.000 0.432 1049 I N 0.348 120.948 120.570 0.050 0.000 2.286 1049 I HA -0.312 3.859 4.170 0.001 0.000 0.248 1049 I C 3.155 179.311 176.117 0.066 0.000 1.115 1049 I CA 1.552 62.886 61.300 0.056 0.000 1.392 1049 I CB -0.646 37.377 38.000 0.039 0.000 1.065 1049 I HN 0.238 nan 8.210 nan 0.000 0.418 1050 K N 1.354 121.781 120.400 0.045 0.000 2.002 1050 K HA -0.229 4.092 4.320 0.001 0.000 0.209 1050 K C 2.117 178.791 176.600 0.124 0.000 1.048 1050 K CA 1.904 58.230 56.287 0.065 0.000 0.930 1050 K CB -0.880 31.638 32.500 0.030 0.000 0.714 1050 K HN 0.336 nan 8.250 nan 0.000 0.438 1051 K N -0.201 120.251 120.400 0.087 0.000 2.044 1051 K HA -0.132 4.189 4.320 0.001 0.000 0.210 1051 K C 2.433 179.096 176.600 0.105 0.000 1.049 1051 K CA 1.737 58.075 56.287 0.085 0.000 0.927 1051 K CB -0.820 31.718 32.500 0.065 0.000 0.713 1051 K HN 0.394 nan 8.250 nan 0.000 0.443 1052 G N 0.134 109.002 108.800 0.113 0.000 2.442 1052 G HA2 -0.318 3.643 3.960 0.001 0.000 0.219 1052 G HA3 -0.318 3.643 3.960 0.001 0.000 0.219 1052 G C 1.377 176.383 174.900 0.177 0.000 1.141 1052 G CA 1.111 46.288 45.100 0.128 0.000 0.763 1052 G HN 0.521 nan 8.290 nan 0.000 0.554 1053 Y N 2.116 122.450 120.300 0.057 0.000 2.145 1053 Y HA -0.148 4.402 4.550 0.001 0.000 0.286 1053 Y C 2.961 178.916 175.900 0.092 0.000 1.145 1053 Y CA 2.237 60.348 58.100 0.018 0.000 1.148 1053 Y CB -0.603 37.743 38.460 -0.191 0.000 0.981 1053 Y HN 0.184 nan 8.280 nan 0.000 0.507 1054 T N 0.851 115.329 114.554 -0.126 0.000 2.708 1054 T HA -0.217 4.133 4.350 0.001 0.000 0.266 1054 T C 1.739 176.401 174.700 -0.064 0.000 1.037 1054 T CA 1.840 63.831 62.100 -0.183 0.000 1.146 1054 T CB -0.320 68.538 68.868 -0.018 0.000 0.865 1054 T HN 0.478 nan 8.240 nan 0.000 0.435 1055 Q N 0.542 120.380 119.800 0.063 0.000 2.061 1055 Q HA -0.196 4.144 4.340 0.001 0.000 0.204 1055 Q C 2.540 178.825 176.000 0.476 0.000 0.984 1055 Q CA 1.463 57.376 55.803 0.183 0.000 0.846 1055 Q CB -0.248 28.627 28.738 0.228 0.000 0.902 1055 Q HN 0.369 nan 8.270 nan 0.000 0.421 1056 Q N 1.005 121.065 119.800 0.433 0.000 2.124 1056 Q HA -0.126 4.214 4.340 0.001 0.000 0.202 1056 Q C 1.867 178.276 176.000 0.681 0.000 0.977 1056 Q CA 1.307 57.438 55.803 0.546 0.000 0.850 1056 Q CB -0.234 28.589 28.738 0.141 0.000 0.901 1056 Q HN 0.391 nan 8.270 nan 0.000 0.429 1057 L N -0.328 121.047 121.223 0.253 0.000 2.042 1057 L HA -0.184 4.157 4.340 0.001 0.000 0.210 1057 L C 2.261 179.199 176.870 0.113 0.000 1.076 1057 L CA 1.124 56.070 54.840 0.177 0.000 0.749 1057 L CB -0.916 41.064 42.059 -0.132 0.000 0.893 1057 L HN 0.291 nan 8.230 nan 0.000 0.432 1058 A N -0.453 122.322 122.820 -0.075 0.000 2.234 1058 A HA -0.162 4.159 4.320 0.001 0.000 0.216 1058 A C 1.660 179.007 177.584 -0.396 0.000 1.167 1058 A CA 1.337 53.194 52.037 -0.301 0.000 0.698 1058 A CB -0.746 17.950 19.000 -0.508 0.000 0.779 1058 A HN 0.448 nan 8.150 nan 0.000 0.475 1059 F N -1.013 118.976 119.950 0.066 0.000 2.721 1059 F HA 0.252 4.779 4.527 0.001 0.000 0.301 1059 F C 1.113 176.887 175.800 -0.043 0.000 1.096 1059 F CA -0.329 57.712 58.000 0.069 0.000 1.308 1059 F CB 0.050 39.135 39.000 0.142 0.000 1.086 1059 F HN 0.023 nan 8.300 nan 0.000 0.587 1060 R N 2.806 123.300 120.500 -0.010 0.000 2.446 1060 R HA 0.026 4.367 4.340 0.001 0.000 0.314 1060 R C 0.032 176.095 176.300 -0.396 0.000 1.003 1060 R CA 0.086 55.805 56.100 -0.635 0.000 1.018 1060 R CB 0.232 30.230 30.300 -0.503 0.000 0.945 1060 R HN 0.330 nan 8.270 nan 0.000 0.419 1061 Q N 5.036 124.562 119.800 -0.457 0.000 2.368 1061 Q HA 0.080 4.420 4.340 0.001 0.000 0.237 1061 Q C -1.690 174.141 176.000 -0.281 0.000 0.987 1061 Q CA -1.782 53.848 55.803 -0.288 0.000 0.896 1061 Q CB 0.637 29.209 28.738 -0.276 0.000 1.241 1061 Q HN 0.490 nan 8.270 nan 0.000 0.485 1062 P HA -0.246 nan 4.420 nan 0.000 0.216 1062 P C 1.316 178.527 177.300 -0.148 0.000 1.154 1062 P CA 1.910 64.932 63.100 -0.130 0.000 0.865 1062 P CB 0.048 31.704 31.700 -0.073 0.000 0.789 1063 S N -2.342 113.244 115.700 -0.189 0.000 2.465 1063 S HA -0.101 4.369 4.470 0.001 0.000 0.241 1063 S C 1.144 175.562 174.600 -0.302 0.000 1.000 1063 S CA 1.187 59.271 58.200 -0.194 0.000 0.964 1063 S CB -0.995 62.037 63.200 -0.280 0.000 0.763 1063 S HN 0.084 nan 8.310 nan 0.000 0.512 1064 S N -0.878 114.589 115.700 -0.389 0.000 2.709 1064 S HA -0.059 4.412 4.470 0.001 0.000 0.267 1064 S C 0.128 174.398 174.600 -0.551 0.000 1.341 1064 S CA 0.368 58.353 58.200 -0.357 0.000 1.165 1064 S CB -1.979 61.157 63.200 -0.106 0.000 1.432 1064 S HN 1.320 nan 8.310 nan 0.000 0.678 1065 A N 0.335 122.633 122.820 -0.870 0.000 2.312 1065 A HA 0.836 5.156 4.320 0.001 0.000 0.328 1065 A C -0.275 176.894 177.584 -0.691 0.000 1.158 1065 A CA -0.298 51.166 52.037 -0.955 0.000 0.821 1065 A CB 0.526 18.266 19.000 -2.099 0.000 1.170 1065 A HN 0.220 nan 8.150 nan 0.000 0.490 1066 F N 0.351 120.119 119.950 -0.304 0.000 2.457 1066 F HA 0.773 5.300 4.527 0.001 0.000 0.330 1066 F C 0.788 176.519 175.800 -0.115 0.000 1.069 1066 F CA 0.487 58.390 58.000 -0.162 0.000 1.009 1066 F CB 1.892 40.807 39.000 -0.142 0.000 1.276 1066 F HN 0.837 nan 8.300 nan 0.000 0.492 1067 A N -0.129 122.778 122.820 0.144 0.000 2.564 1067 A HA 0.653 4.974 4.320 0.001 0.000 0.291 1067 A C 0.155 177.740 177.584 0.002 0.000 1.102 1067 A CA -0.187 51.896 52.037 0.077 0.000 0.660 1067 A CB 0.211 19.258 19.000 0.078 0.000 1.283 1067 A HN 0.933 nan 8.150 nan 0.000 0.430 1068 A N -0.358 122.421 122.820 -0.067 0.000 1.908 1068 A HA 0.371 4.692 4.320 0.001 0.000 0.218 1068 A C 0.376 177.620 177.584 -0.566 0.000 1.181 1068 A CA 1.697 53.516 52.037 -0.363 0.000 0.627 1068 A CB -0.491 18.312 19.000 -0.329 0.000 0.818 1068 A HN 0.917 nan 8.150 nan 0.000 0.445 1069 F N -2.543 117.507 119.950 0.167 0.000 2.576 1069 F HA 0.413 4.940 4.527 0.001 0.000 0.313 1069 F C 1.018 176.886 175.800 0.115 0.000 1.078 1069 F CA -0.569 57.531 58.000 0.167 0.000 0.921 1069 F CB 1.842 40.908 39.000 0.111 0.000 1.232 1069 F HN -0.079 nan 8.300 nan 0.000 0.459 1070 V N -1.375 118.700 119.914 0.267 0.000 3.241 1070 V HA -0.007 4.114 4.120 0.001 0.000 0.269 1070 V C 1.263 177.419 176.094 0.102 0.000 1.151 1070 V CA 1.882 64.256 62.300 0.124 0.000 1.158 1070 V CB -1.985 29.872 31.823 0.057 0.000 0.764 1070 V HN 0.811 nan 8.190 nan 0.000 0.508 1071 K N 0.580 121.070 120.400 0.150 0.000 2.373 1071 K HA 0.378 4.699 4.320 0.001 0.000 0.200 1071 K C 1.208 177.871 176.600 0.106 0.000 1.054 1071 K CA 0.168 56.511 56.287 0.093 0.000 1.065 1071 K CB 0.070 32.602 32.500 0.055 0.000 0.886 1071 K HN 0.626 nan 8.250 nan 0.000 0.546 1072 R N 0.573 121.177 120.500 0.174 0.000 2.457 1072 R HA 0.606 4.946 4.340 0.001 0.000 0.284 1072 R C -0.051 176.324 176.300 0.125 0.000 1.024 1072 R CA 0.059 56.261 56.100 0.170 0.000 1.025 1072 R CB 1.217 31.685 30.300 0.280 0.000 1.063 1072 R HN 0.248 nan 8.270 nan 0.000 0.493 1073 A N 5.933 128.819 122.820 0.111 0.000 2.567 1073 A HA 0.163 4.484 4.320 0.001 0.000 0.240 1073 A C -1.950 175.703 177.584 0.116 0.000 1.053 1073 A CA -0.930 51.172 52.037 0.109 0.000 0.755 1073 A CB -0.383 18.683 19.000 0.109 0.000 0.978 1073 A HN 0.635 nan 8.150 nan 0.000 0.507 1074 P HA 0.041 nan 4.420 nan 0.000 0.267 1074 P C -0.104 177.303 177.300 0.179 0.000 1.200 1074 P CA 0.155 63.293 63.100 0.063 0.000 0.772 1074 P CB 0.812 32.477 31.700 -0.058 0.000 0.855 1075 S N 0.708 116.508 115.700 0.167 0.000 2.565 1075 S HA 0.340 4.810 4.470 0.001 0.000 0.290 1075 S C 1.256 176.059 174.600 0.339 0.000 1.150 1075 S CA -0.421 57.921 58.200 0.237 0.000 1.058 1075 S CB 0.504 63.827 63.200 0.204 0.000 1.032 1075 S HN 0.418 nan 8.310 nan 0.000 0.510 1076 T N 3.079 117.847 114.554 0.356 0.000 2.894 1076 T HA -0.026 4.324 4.350 0.001 0.000 0.258 1076 T C 1.260 176.139 174.700 0.298 0.000 1.043 1076 T CA 0.638 62.961 62.100 0.371 0.000 1.141 1076 T CB -0.374 68.662 68.868 0.282 0.000 0.873 1076 T HN 0.824 nan 8.240 nan 0.000 0.449 1077 W N 1.535 122.889 121.300 0.091 0.000 2.381 1077 W HA -0.002 4.658 4.660 0.000 0.000 0.301 1077 W C 1.865 178.436 176.519 0.087 0.000 1.205 1077 W CA 0.463 57.816 57.345 0.013 0.000 1.285 1077 W CB -0.407 28.961 29.460 -0.153 0.000 1.133 1077 W HN 0.097 nan 8.180 nan 0.000 0.521 1078 L N 0.617 122.074 121.223 0.391 0.000 2.005 1078 L HA -0.170 4.171 4.340 0.001 0.000 0.207 1078 L C 2.431 179.320 176.870 0.031 0.000 1.072 1078 L CA 2.792 57.776 54.840 0.240 0.000 0.744 1078 L CB -1.393 40.800 42.059 0.224 0.000 0.895 1078 L HN -0.063 nan 8.230 nan 0.000 0.433 1079 T N 0.058 114.676 114.554 0.107 0.000 2.624 1079 T HA -0.277 4.073 4.350 0.001 0.000 0.268 1079 T C 1.845 176.532 174.700 -0.022 0.000 1.041 1079 T CA 1.778 63.940 62.100 0.103 0.000 1.159 1079 T CB -0.768 68.245 68.868 0.241 0.000 0.863 1079 T HN 0.514 nan 8.240 nan 0.000 0.434 1080 A N -0.023 122.793 122.820 -0.007 0.000 2.015 1080 A HA -0.049 4.272 4.320 0.001 0.000 0.219 1080 A C 2.077 179.543 177.584 -0.196 0.000 1.163 1080 A CA 1.282 53.262 52.037 -0.095 0.000 0.646 1080 A CB -0.811 18.157 19.000 -0.053 0.000 0.806 1080 A HN 0.587 nan 8.150 nan 0.000 0.448 1081 Y N 0.162 120.234 120.300 -0.380 0.000 2.153 1081 Y HA -0.102 4.448 4.550 0.001 0.000 0.289 1081 Y C 2.393 177.982 175.900 -0.519 0.000 1.127 1081 Y CA 1.594 59.377 58.100 -0.528 0.000 1.131 1081 Y CB -0.539 37.389 38.460 -0.886 0.000 0.995 1081 Y HN 0.044 nan 8.280 nan 0.000 0.505 1082 V N -0.752 118.768 119.914 -0.656 0.000 2.324 1082 V HA -0.333 3.788 4.120 0.001 0.000 0.250 1082 V C 2.432 177.985 176.094 -0.901 0.000 1.060 1082 V CA 1.873 63.559 62.300 -1.024 0.000 1.042 1082 V CB -0.912 30.150 31.823 -1.268 0.000 0.650 1082 V HN 0.348 nan 8.190 nan 0.000 0.450 1083 V N -0.324 119.280 119.914 -0.517 0.000 2.332 1083 V HA -0.324 3.796 4.120 0.001 0.000 0.248 1083 V C 2.425 178.354 176.094 -0.276 0.000 1.055 1083 V CA 2.554 64.687 62.300 -0.278 0.000 1.038 1083 V CB -0.567 31.168 31.823 -0.147 0.000 0.651 1083 V HN 0.599 nan 8.190 nan 0.000 0.450 1084 K N -0.318 119.838 120.400 -0.406 0.000 2.026 1084 K HA -0.145 4.175 4.320 0.001 0.000 0.208 1084 K C 1.964 178.354 176.600 -0.350 0.000 1.048 1084 K CA 1.758 57.825 56.287 -0.366 0.000 0.929 1084 K CB -0.150 32.070 32.500 -0.466 0.000 0.713 1084 K HN 0.328 nan 8.250 nan 0.000 0.439 1085 V N 0.800 120.327 119.914 -0.645 0.000 2.453 1085 V HA -0.175 3.946 4.120 0.001 0.000 0.247 1085 V C 2.088 178.169 176.094 -0.022 0.000 1.048 1085 V CA 1.325 63.343 62.300 -0.470 0.000 1.049 1085 V CB -0.576 30.824 31.823 -0.705 0.000 0.672 1085 V HN 0.250 nan 8.190 nan 0.000 0.457 1086 F N 0.888 120.682 119.950 -0.261 0.000 2.365 1086 F HA -0.057 4.470 4.527 0.001 0.000 0.300 1086 F C 2.572 178.304 175.800 -0.114 0.000 1.090 1086 F CA 0.940 58.851 58.000 -0.149 0.000 1.408 1086 F CB -1.150 37.785 39.000 -0.109 0.000 1.060 1086 F HN 0.127 nan 8.300 nan 0.000 0.534 1087 S N 0.017 115.760 115.700 0.072 0.000 2.406 1087 S HA -0.086 4.384 4.470 0.001 0.000 0.228 1087 S C 2.051 176.656 174.600 0.008 0.000 1.020 1087 S CA 0.585 58.798 58.200 0.022 0.000 0.965 1087 S CB -0.214 62.980 63.200 -0.009 0.000 0.798 1087 S HN 0.166 nan 8.310 nan 0.000 0.488 1088 L N 1.235 122.461 121.223 0.006 0.000 2.109 1088 L HA 0.166 4.506 4.340 0.001 0.000 0.207 1088 L C 2.053 178.933 176.870 0.016 0.000 1.086 1088 L CA 1.085 55.911 54.840 -0.024 0.000 0.760 1088 L CB -0.699 41.287 42.059 -0.120 0.000 0.910 1088 L HN 0.253 nan 8.230 nan 0.000 0.437 1089 A N -0.472 122.352 122.820 0.007 0.000 2.324 1089 A HA 0.188 4.509 4.320 0.001 0.000 0.240 1089 A C 1.524 179.050 177.584 -0.097 0.000 1.347 1089 A CA 0.680 52.697 52.037 -0.033 0.000 1.036 1089 A CB -0.975 17.991 19.000 -0.057 0.000 0.917 1089 A HN 0.265 nan 8.150 nan 0.000 0.519 1090 V N -3.855 116.024 119.914 -0.058 0.000 3.621 1090 V HA 0.165 4.286 4.120 0.001 0.000 0.285 1090 V C 0.477 176.538 176.094 -0.056 0.000 1.346 1090 V CA 0.992 63.242 62.300 -0.084 0.000 1.104 1090 V CB -0.794 30.996 31.823 -0.055 0.000 0.913 1090 V HN 0.429 nan 8.190 nan 0.000 0.432 1091 N N 0.113 118.799 118.700 -0.024 0.000 2.200 1091 N HA 0.447 5.188 4.740 0.001 0.000 0.224 1091 N C 0.826 176.328 175.510 -0.014 0.000 1.179 1091 N CA 0.129 53.174 53.050 -0.008 0.000 0.877 1091 N CB 0.909 39.415 38.487 0.031 0.000 1.072 1091 N HN 0.444 nan 8.380 nan 0.000 0.519 1092 L N -0.642 120.559 121.223 -0.036 0.000 2.638 1092 L HA 0.481 4.822 4.340 0.001 0.000 0.195 1092 L C 0.536 177.358 176.870 -0.080 0.000 1.065 1092 L CA 0.067 54.884 54.840 -0.039 0.000 0.859 1092 L CB 0.050 42.105 42.059 -0.006 0.000 1.269 1092 L HN 0.068 nan 8.230 nan 0.000 0.484 1093 I N -2.303 118.190 120.570 -0.128 0.000 3.239 1093 I HA 0.796 4.967 4.170 0.001 0.000 0.314 1093 I C -0.165 175.800 176.117 -0.252 0.000 1.126 1093 I CA -1.206 59.990 61.300 -0.175 0.000 0.973 1093 I CB 1.832 39.714 38.000 -0.198 0.000 1.252 1093 I HN -0.098 nan 8.210 nan 0.000 0.463 1094 A N 3.226 125.890 122.820 -0.260 0.000 2.483 1094 A HA 0.597 4.918 4.320 0.001 0.000 0.238 1094 A C -0.332 176.913 177.584 -0.564 0.000 1.070 1094 A CA 0.288 52.149 52.037 -0.294 0.000 0.770 1094 A CB -0.084 18.799 19.000 -0.194 0.000 1.008 1094 A HN 0.639 nan 8.150 nan 0.000 0.497 1095 I N 1.407 121.709 120.570 -0.447 0.000 2.610 1095 I HA 0.131 4.301 4.170 0.001 0.000 0.289 1095 I C -1.052 174.941 176.117 -0.208 0.000 1.163 1095 I CA -0.687 60.282 61.300 -0.551 0.000 1.044 1095 I CB 2.176 39.883 38.000 -0.488 0.000 1.251 1095 I HN 0.679 nan 8.210 nan 0.000 0.424 1096 D N 4.423 124.792 120.400 -0.052 0.000 2.383 1096 D HA 0.031 4.671 4.640 0.001 0.000 0.245 1096 D C 1.351 177.691 176.300 0.067 0.000 1.263 1096 D CA 0.222 54.258 54.000 0.061 0.000 0.936 1096 D CB 1.019 41.919 40.800 0.166 0.000 1.053 1096 D HN 0.614 nan 8.370 nan 0.000 0.507 1097 S N 2.835 118.552 115.700 0.029 0.000 2.440 1097 S HA -0.266 4.204 4.470 0.001 0.000 0.238 1097 S C 1.587 176.230 174.600 0.072 0.000 1.010 1097 S CA 0.963 59.189 58.200 0.043 0.000 0.972 1097 S CB -0.179 63.033 63.200 0.019 0.000 0.774 1097 S HN 0.640 nan 8.310 nan 0.000 0.501 1098 Q N 0.266 120.109 119.800 0.072 0.000 2.369 1098 Q HA 0.046 4.387 4.340 0.001 0.000 0.206 1098 Q C 1.625 177.687 176.000 0.102 0.000 0.963 1098 Q CA 0.827 56.675 55.803 0.074 0.000 0.894 1098 Q CB -0.019 28.753 28.738 0.057 0.000 0.965 1098 Q HN 0.576 nan 8.270 nan 0.000 0.475 1099 V N 0.298 120.300 119.914 0.147 0.000 2.599 1099 V HA -0.161 3.960 4.120 0.001 0.000 0.245 1099 V C 1.943 178.186 176.094 0.248 0.000 1.046 1099 V CA 0.704 63.129 62.300 0.208 0.000 1.065 1099 V CB -0.157 31.853 31.823 0.312 0.000 0.703 1099 V HN 0.322 nan 8.190 nan 0.000 0.464 1100 L N 0.203 121.563 121.223 0.228 0.000 1.988 1100 L HA -0.141 4.200 4.340 0.001 0.000 0.207 1100 L C 2.397 179.352 176.870 0.142 0.000 1.071 1100 L CA 2.283 57.245 54.840 0.203 0.000 0.744 1100 L CB -0.695 41.460 42.059 0.160 0.000 0.893 1100 L HN 0.375 nan 8.230 nan 0.000 0.433 1101 c N -0.268 118.399 118.600 0.111 0.000 2.432 1101 c HA 0.040 4.610 4.570 0.001 0.000 0.282 1101 c C 2.686 176.841 174.090 0.110 0.000 1.388 1101 c CA 0.273 56.658 56.329 0.093 0.000 1.777 1101 c CB -2.040 40.512 42.510 0.070 0.000 1.882 1101 c HN 0.733 nan 8.230 nan 0.000 0.520 1102 G N 0.598 109.467 108.800 0.116 0.000 2.408 1102 G HA2 0.072 4.033 3.960 0.001 0.000 0.217 1102 G HA3 0.072 4.033 3.960 0.001 0.000 0.217 1102 G C 1.807 176.794 174.900 0.145 0.000 1.150 1102 G CA 0.963 46.129 45.100 0.110 0.000 0.776 1102 G HN 0.596 nan 8.290 nan 0.000 0.542 1103 A N 0.124 123.043 122.820 0.165 0.000 1.874 1103 A HA 0.228 4.549 4.320 0.001 0.000 0.214 1103 A C 2.551 180.290 177.584 0.259 0.000 1.189 1103 A CA 1.374 53.535 52.037 0.208 0.000 0.615 1103 A CB -0.644 18.501 19.000 0.242 0.000 0.830 1103 A HN 0.181 nan 8.150 nan 0.000 0.443 1104 V N 0.646 120.664 119.914 0.173 0.000 2.278 1104 V HA -0.331 3.789 4.120 0.001 0.000 0.251 1104 V C 3.219 179.408 176.094 0.159 0.000 1.062 1104 V CA 3.030 65.409 62.300 0.131 0.000 1.038 1104 V CB -1.179 30.693 31.823 0.081 0.000 0.646 1104 V HN 0.751 nan 8.190 nan 0.000 0.447 1105 K N -1.283 119.215 120.400 0.164 0.000 2.097 1105 K HA -0.272 4.049 4.320 0.001 0.000 0.205 1105 K C 1.762 178.470 176.600 0.180 0.000 1.050 1105 K CA 1.678 58.053 56.287 0.146 0.000 0.938 1105 K CB -1.367 31.206 32.500 0.122 0.000 0.718 1105 K HN 0.714 nan 8.250 nan 0.000 0.442 1106 W N 0.904 122.239 121.300 0.059 0.000 2.335 1106 W HA -0.152 4.509 4.660 0.001 0.000 0.311 1106 W C 1.703 178.276 176.519 0.090 0.000 1.213 1106 W CA 1.830 59.211 57.345 0.059 0.000 1.274 1106 W CB -0.345 29.144 29.460 0.048 0.000 1.148 1106 W HN 0.217 nan 8.180 nan 0.000 0.498 1107 L N 0.220 121.593 121.223 0.250 0.000 2.089 1107 L HA -0.329 4.011 4.340 0.001 0.000 0.213 1107 L C 2.266 179.216 176.870 0.133 0.000 1.079 1107 L CA 1.352 56.260 54.840 0.114 0.000 0.758 1107 L CB -0.738 41.423 42.059 0.171 0.000 0.891 1107 L HN 0.074 nan 8.230 nan 0.000 0.433 1108 I N -0.735 119.913 120.570 0.129 0.000 2.235 1108 I HA -0.217 3.954 4.170 0.001 0.000 0.241 1108 I C 2.312 178.391 176.117 -0.064 0.000 1.085 1108 I CA 1.442 62.800 61.300 0.096 0.000 1.378 1108 I CB -1.151 36.902 38.000 0.087 0.000 1.076 1108 I HN 0.210 nan 8.210 nan 0.000 0.415 1109 L N 0.370 121.542 121.223 -0.085 0.000 2.465 1109 L HA -0.069 4.272 4.340 0.001 0.000 0.224 1109 L C 1.910 178.659 176.870 -0.200 0.000 1.145 1109 L CA 0.826 55.598 54.840 -0.113 0.000 0.834 1109 L CB -0.242 41.782 42.059 -0.057 0.000 0.944 1109 L HN 0.296 nan 8.230 nan 0.000 0.451 1110 E N -1.118 118.866 120.200 -0.359 0.000 2.508 1110 E HA 0.084 4.434 4.350 0.001 0.000 0.217 1110 E C 1.130 177.475 176.600 -0.426 0.000 0.896 1110 E CA 0.162 56.283 56.400 -0.464 0.000 1.118 1110 E CB 0.575 29.771 29.700 -0.839 0.000 1.133 1110 E HN 0.163 nan 8.360 nan 0.000 0.526 1111 K N 0.671 120.852 120.400 -0.366 0.000 2.402 1111 K HA 0.195 4.515 4.320 0.001 0.000 0.204 1111 K C 0.285 176.781 176.600 -0.173 0.000 1.056 1111 K CA 0.005 56.178 56.287 -0.191 0.000 1.069 1111 K CB 1.414 33.867 32.500 -0.078 0.000 0.888 1111 K HN 0.052 nan 8.250 nan 0.000 0.546 1112 Q N 1.504 121.103 119.800 -0.335 0.000 2.325 1112 Q HA 0.391 4.731 4.340 0.001 0.000 0.262 1112 Q C -0.624 175.147 176.000 -0.381 0.000 0.968 1112 Q CA -0.228 55.201 55.803 -0.623 0.000 0.877 1112 Q CB 1.066 29.265 28.738 -0.898 0.000 1.253 1112 Q HN 0.066 nan 8.270 nan 0.000 0.448 1113 K N 3.567 123.757 120.400 -0.350 0.000 2.107 1113 K HA 0.283 4.603 4.320 0.001 0.000 0.251 1113 K C -2.196 174.271 176.600 -0.223 0.000 1.012 1113 K CA -1.116 55.029 56.287 -0.237 0.000 0.920 1113 K CB -0.585 31.792 32.500 -0.204 0.000 1.033 1113 K HN 0.537 nan 8.250 nan 0.000 0.478 1114 P HA -0.223 nan 4.420 nan 0.000 0.217 1114 P C 0.356 177.589 177.300 -0.112 0.000 1.148 1114 P CA 1.726 64.758 63.100 -0.114 0.000 0.834 1114 P CB 0.128 31.784 31.700 -0.073 0.000 0.783 1115 D N -2.522 117.802 120.400 -0.127 0.000 2.363 1115 D HA 0.059 4.700 4.640 0.001 0.000 0.220 1115 D C 1.547 177.726 176.300 -0.202 0.000 0.994 1115 D CA 0.966 54.911 54.000 -0.092 0.000 0.890 1115 D CB -0.874 39.901 40.800 -0.040 0.000 0.906 1115 D HN 0.255 nan 8.370 nan 0.000 0.530 1116 G N -0.589 108.017 108.800 -0.323 0.000 2.258 1116 G HA2 -0.221 3.739 3.960 0.001 0.000 0.233 1116 G HA3 -0.221 3.739 3.960 0.001 0.000 0.233 1116 G C 0.700 175.218 174.900 -0.637 0.000 1.006 1116 G CA 0.166 45.019 45.100 -0.412 0.000 0.620 1116 G HN 0.971 nan 8.290 nan 0.000 0.511 1117 V N 0.983 120.401 119.914 -0.827 0.000 2.617 1117 V HA 0.530 4.651 4.120 0.001 0.000 0.304 1117 V C 0.508 176.329 176.094 -0.455 0.000 1.040 1117 V CA 0.378 62.244 62.300 -0.723 0.000 1.149 1117 V CB 0.113 31.455 31.823 -0.802 0.000 0.914 1117 V HN 0.344 nan 8.190 nan 0.000 0.487 1118 F N 3.559 123.415 119.950 -0.157 0.000 2.394 1118 F HA 0.544 5.072 4.527 0.001 0.000 0.340 1118 F C 0.762 176.534 175.800 -0.047 0.000 1.105 1118 F CA -0.010 57.941 58.000 -0.080 0.000 1.124 1118 F CB 1.484 40.475 39.000 -0.015 0.000 1.145 1118 F HN 0.646 nan 8.300 nan 0.000 0.505 1119 Q N 1.591 121.465 119.800 0.124 0.000 2.306 1119 Q HA 0.379 4.720 4.340 0.001 0.000 0.265 1119 Q C -1.119 174.952 176.000 0.117 0.000 1.022 1119 Q CA -1.176 54.677 55.803 0.083 0.000 0.853 1119 Q CB 2.539 31.283 28.738 0.010 0.000 1.327 1119 Q HN 0.407 nan 8.270 nan 0.000 0.449 1120 E N 1.239 121.507 120.200 0.114 0.000 2.092 1120 E HA 0.171 4.522 4.350 0.001 0.000 0.271 1120 E C -1.228 175.432 176.600 0.100 0.000 0.919 1120 E CA -0.135 56.344 56.400 0.132 0.000 0.760 1120 E CB 0.786 30.563 29.700 0.129 0.000 1.106 1120 E HN 0.456 nan 8.360 nan 0.000 0.408 1121 D N 3.166 123.635 120.400 0.116 0.000 2.463 1121 D HA 0.412 5.052 4.640 0.001 0.000 0.224 1121 D C -0.936 175.425 176.300 0.103 0.000 1.174 1121 D CA 0.218 54.275 54.000 0.096 0.000 0.829 1121 D CB 0.817 41.673 40.800 0.094 0.000 0.993 1121 D HN 0.368 nan 8.370 nan 0.000 0.497 1122 A N 1.107 123.992 122.820 0.108 0.000 2.333 1122 A HA 0.328 4.648 4.320 0.001 0.000 0.298 1122 A C -2.913 174.725 177.584 0.089 0.000 1.239 1122 A CA -1.043 51.053 52.037 0.098 0.000 0.896 1122 A CB 0.166 19.239 19.000 0.122 0.000 1.421 1122 A HN -0.131 nan 8.150 nan 0.000 0.433 1123 P HA 0.277 nan 4.420 nan 0.000 0.268 1123 P C 0.574 177.881 177.300 0.012 0.000 1.208 1123 P CA -0.034 63.070 63.100 0.007 0.000 0.777 1123 P CB 0.576 32.260 31.700 -0.027 0.000 0.875 1124 V N 1.079 120.976 119.914 -0.028 0.000 2.775 1124 V HA 0.058 4.178 4.120 0.001 0.000 0.299 1124 V C 1.674 177.755 176.094 -0.020 0.000 1.062 1124 V CA -0.136 62.161 62.300 -0.005 0.000 1.063 1124 V CB -0.177 31.620 31.823 -0.043 0.000 0.994 1124 V HN 0.381 nan 8.190 nan 0.000 0.483 1125 I N 1.146 121.734 120.570 0.030 0.000 2.208 1125 I HA -0.135 4.035 4.170 0.001 0.000 0.245 1125 I C 1.603 177.632 176.117 -0.145 0.000 1.097 1125 I CA 1.546 62.828 61.300 -0.031 0.000 1.363 1125 I CB -1.162 36.844 38.000 0.010 0.000 1.051 1125 I HN 0.734 nan 8.210 nan 0.000 0.413 1126 H N 3.284 122.315 119.070 -0.065 0.000 2.855 1126 H HA 0.117 4.673 4.556 0.001 0.000 0.238 1126 H C 1.133 176.351 175.328 -0.183 0.000 1.847 1126 H CA -0.185 55.811 56.048 -0.087 0.000 1.368 1126 H CB 0.464 30.177 29.762 -0.082 0.000 1.758 1126 H HN 0.323 nan 8.280 nan 0.000 0.546 1127 Q N 1.141 120.867 119.800 -0.123 0.000 2.308 1127 Q HA -0.170 4.171 4.340 0.001 0.000 0.209 1127 Q C 1.804 177.662 176.000 -0.237 0.000 0.985 1127 Q CA 1.040 56.724 55.803 -0.199 0.000 0.881 1127 Q CB 0.147 28.804 28.738 -0.136 0.000 0.917 1127 Q HN 0.749 nan 8.270 nan 0.000 0.443 1128 E N 0.130 120.217 120.200 -0.188 0.000 2.482 1128 E HA -0.134 4.216 4.350 0.001 0.000 0.196 1128 E C 1.638 178.044 176.600 -0.325 0.000 1.047 1128 E CA 0.494 56.731 56.400 -0.271 0.000 0.869 1128 E CB -0.337 29.074 29.700 -0.481 0.000 0.836 1128 E HN 0.560 nan 8.360 nan 0.000 0.520 1129 M N 0.046 119.444 119.600 -0.338 0.000 2.509 1129 M HA 0.229 4.710 4.480 0.001 0.000 0.250 1129 M C 1.865 177.821 176.300 -0.574 0.000 1.132 1129 M CA 0.547 55.628 55.300 -0.365 0.000 1.080 1129 M CB -0.354 32.073 32.600 -0.287 0.000 1.408 1129 M HN 0.083 nan 8.290 nan 0.000 0.484 1130 I N -1.610 118.450 120.570 -0.851 0.000 3.855 1130 I HA 0.517 4.688 4.170 0.001 0.000 0.327 1130 I C 1.021 176.801 176.117 -0.560 0.000 1.359 1130 I CA -0.108 60.480 61.300 -1.187 0.000 1.142 1130 I CB -1.047 35.840 38.000 -1.855 0.000 1.041 1130 I HN 0.375 nan 8.210 nan 0.000 0.403 1131 G N 2.116 110.650 108.800 -0.443 0.000 2.582 1131 G HA2 -0.425 3.536 3.960 0.001 0.000 0.369 1131 G HA3 -0.425 3.536 3.960 0.001 0.000 0.369 1131 G C 1.038 175.393 174.900 -0.909 0.000 1.370 1131 G CA 0.831 45.573 45.100 -0.598 0.000 0.955 1131 G HN 0.632 nan 8.290 nan 0.000 0.525 1132 G N -0.670 107.445 108.800 -1.142 0.000 2.728 1132 G HA2 -0.184 3.776 3.960 0.001 0.000 0.224 1132 G HA3 -0.184 3.776 3.960 0.001 0.000 0.224 1132 G C 1.793 176.244 174.900 -0.749 0.000 1.123 1132 G CA 2.013 46.401 45.100 -1.186 0.000 0.755 1132 G HN 1.425 nan 8.290 nan 0.000 0.622 1133 L N 0.761 121.761 121.223 -0.371 0.000 2.651 1133 L HA 0.108 4.449 4.340 0.001 0.000 0.236 1133 L C 2.385 179.125 176.870 -0.216 0.000 1.173 1133 L CA 1.463 56.187 54.840 -0.194 0.000 0.843 1133 L CB -0.562 41.433 42.059 -0.107 0.000 0.964 1133 L HN 0.312 nan 8.230 nan 0.000 0.454 1134 R N 0.697 121.055 120.500 -0.236 0.000 2.237 1134 R HA -0.077 4.263 4.340 0.001 0.000 0.219 1134 R C 0.493 176.757 176.300 -0.060 0.000 1.080 1134 R CA 0.423 56.443 56.100 -0.133 0.000 0.995 1134 R CB -0.371 29.905 30.300 -0.039 0.000 0.875 1134 R HN 0.672 nan 8.270 nan 0.000 0.462 1135 N N 0.827 119.489 118.700 -0.064 0.000 2.417 1135 N HA -0.115 4.626 4.740 0.001 0.000 0.272 1135 N C 0.492 175.986 175.510 -0.026 0.000 1.304 1135 N CA 1.068 54.094 53.050 -0.040 0.000 0.906 1135 N CB -0.087 38.360 38.487 -0.066 0.000 1.135 1135 N HN 0.303 nan 8.380 nan 0.000 0.483 1136 N N 2.924 121.613 118.700 -0.019 0.000 2.020 1136 N HA -0.284 4.456 4.740 0.001 0.000 0.200 1136 N C 1.121 176.635 175.510 0.008 0.000 1.054 1136 N CA 2.354 55.398 53.050 -0.010 0.000 0.874 1136 N CB -1.906 36.575 38.487 -0.010 0.000 1.075 1136 N HN 1.058 nan 8.380 nan 0.000 0.446 1137 N N -0.936 117.773 118.700 0.014 0.000 2.288 1137 N HA 0.476 5.217 4.740 0.001 0.000 0.237 1137 N C 1.347 176.885 175.510 0.047 0.000 1.311 1137 N CA 1.950 55.018 53.050 0.029 0.000 0.909 1137 N CB -0.746 37.756 38.487 0.026 0.000 1.167 1137 N HN 1.852 nan 8.380 nan 0.000 0.476 1138 E N -3.234 117.003 120.200 0.061 0.000 2.883 1138 E HA -0.232 4.118 4.350 0.001 0.000 0.271 1138 E C 1.556 178.220 176.600 0.106 0.000 1.049 1138 E CA 2.645 59.096 56.400 0.085 0.000 0.817 1138 E CB -2.847 26.908 29.700 0.091 0.000 1.407 1138 E HN 1.739 nan 8.360 nan 0.000 0.434 1139 K N 0.161 120.615 120.400 0.089 0.000 1.991 1139 K HA -0.200 4.120 4.320 0.001 0.000 0.212 1139 K C 2.112 178.791 176.600 0.133 0.000 1.049 1139 K CA 2.050 58.392 56.287 0.092 0.000 0.932 1139 K CB -0.834 31.706 32.500 0.066 0.000 0.717 1139 K HN 0.623 nan 8.250 nan 0.000 0.441 1140 D N 0.068 120.556 120.400 0.148 0.000 2.127 1140 D HA -0.181 4.460 4.640 0.001 0.000 0.190 1140 D C 2.132 178.587 176.300 0.257 0.000 1.000 1140 D CA 1.895 56.010 54.000 0.192 0.000 0.839 1140 D CB -0.126 40.823 40.800 0.248 0.000 0.955 1140 D HN 0.334 nan 8.370 nan 0.000 0.446 1141 M N 0.536 120.298 119.600 0.271 0.000 2.065 1141 M HA -0.138 4.343 4.480 0.001 0.000 0.259 1141 M C 2.370 178.800 176.300 0.218 0.000 1.071 1141 M CA 1.434 56.888 55.300 0.257 0.000 1.109 1141 M CB -1.382 31.315 32.600 0.162 0.000 1.313 1141 M HN 0.064 nan 8.290 nan 0.000 0.408 1142 A N 0.664 123.605 122.820 0.202 0.000 1.852 1142 A HA -0.231 4.089 4.320 0.001 0.000 0.217 1142 A C 2.273 180.004 177.584 0.245 0.000 1.215 1142 A CA 2.157 54.332 52.037 0.229 0.000 0.641 1142 A CB -1.339 17.805 19.000 0.241 0.000 0.838 1142 A HN 0.447 nan 8.150 nan 0.000 0.450 1143 L N -0.184 121.174 121.223 0.226 0.000 2.013 1143 L HA -0.163 4.177 4.340 0.001 0.000 0.212 1143 L C 2.507 179.536 176.870 0.265 0.000 1.073 1143 L CA 3.027 58.015 54.840 0.247 0.000 0.753 1143 L CB -1.172 41.010 42.059 0.204 0.000 0.890 1143 L HN 0.471 nan 8.230 nan 0.000 0.432 1144 T N -0.110 114.603 114.554 0.265 0.000 2.720 1144 T HA -0.173 4.177 4.350 0.001 0.000 0.268 1144 T C 1.922 176.767 174.700 0.241 0.000 1.037 1144 T CA 1.388 63.684 62.100 0.327 0.000 1.144 1144 T CB -0.659 68.383 68.868 0.290 0.000 0.864 1144 T HN 0.545 nan 8.240 nan 0.000 0.444 1145 A N 1.022 123.962 122.820 0.200 0.000 1.902 1145 A HA -0.035 4.286 4.320 0.001 0.000 0.217 1145 A C 2.027 179.647 177.584 0.060 0.000 1.181 1145 A CA 1.367 53.469 52.037 0.109 0.000 0.623 1145 A CB -1.045 17.998 19.000 0.071 0.000 0.818 1145 A HN 0.464 nan 8.150 nan 0.000 0.443 1146 F N 0.698 120.633 119.950 -0.026 0.000 2.095 1146 F HA -0.182 4.345 4.527 0.000 0.000 0.298 1146 F C 2.271 177.996 175.800 -0.126 0.000 1.104 1146 F CA 2.146 60.121 58.000 -0.042 0.000 1.232 1146 F CB -0.207 38.820 39.000 0.046 0.000 0.987 1146 F HN 0.033 nan 8.300 nan 0.000 0.475 1147 V N 0.349 120.263 119.914 -0.000 0.000 2.490 1147 V HA -0.290 3.830 4.120 0.001 0.000 0.250 1147 V C 2.718 178.582 176.094 -0.383 0.000 1.061 1147 V CA 1.647 63.742 62.300 -0.342 0.000 1.064 1147 V CB -1.340 29.950 31.823 -0.888 0.000 0.670 1147 V HN 0.491 nan 8.190 nan 0.000 0.461 1148 L N -0.885 120.213 121.223 -0.208 0.000 2.109 1148 L HA 0.063 4.403 4.340 0.001 0.000 0.207 1148 L C 2.293 179.066 176.870 -0.162 0.000 1.086 1148 L CA 2.177 56.951 54.840 -0.110 0.000 0.760 1148 L CB -1.174 40.888 42.059 0.005 0.000 0.910 1148 L HN 0.327 nan 8.230 nan 0.000 0.437 1149 I N -0.559 119.887 120.570 -0.206 0.000 2.315 1149 I HA -0.226 3.945 4.170 0.001 0.000 0.248 1149 I C 2.857 178.840 176.117 -0.223 0.000 1.117 1149 I CA 1.460 62.623 61.300 -0.227 0.000 1.404 1149 I CB -0.314 37.584 38.000 -0.171 0.000 1.071 1149 I HN 0.414 nan 8.210 nan 0.000 0.419 1150 S N 1.143 116.667 115.700 -0.292 0.000 2.355 1150 S HA -0.071 4.399 4.470 0.001 0.000 0.222 1150 S C 1.985 176.483 174.600 -0.170 0.000 1.031 1150 S CA 1.125 59.169 58.200 -0.260 0.000 0.993 1150 S CB -0.383 62.618 63.200 -0.331 0.000 0.859 1150 S HN 0.344 nan 8.310 nan 0.000 0.453 1151 L N 0.954 122.080 121.223 -0.162 0.000 2.261 1151 L HA -0.166 4.174 4.340 0.001 0.000 0.216 1151 L C 2.408 179.232 176.870 -0.075 0.000 1.114 1151 L CA 1.167 55.950 54.840 -0.096 0.000 0.777 1151 L CB -0.485 41.531 42.059 -0.071 0.000 0.910 1151 L HN 0.352 nan 8.230 nan 0.000 0.440 1152 Q N -0.513 119.226 119.800 -0.102 0.000 2.376 1152 Q HA -0.044 4.297 4.340 0.001 0.000 0.206 1152 Q C 2.370 178.320 176.000 -0.083 0.000 0.921 1152 Q CA 0.940 56.686 55.803 -0.094 0.000 0.911 1152 Q CB 0.181 28.840 28.738 -0.132 0.000 1.032 1152 Q HN 0.582 nan 8.270 nan 0.000 0.510 1153 E N 0.218 120.366 120.200 -0.087 0.000 2.427 1153 E HA 0.129 4.479 4.350 0.001 0.000 0.196 1153 E C 1.519 178.095 176.600 -0.040 0.000 1.028 1153 E CA 0.993 57.361 56.400 -0.054 0.000 0.864 1153 E CB -0.165 29.505 29.700 -0.051 0.000 0.813 1153 E HN 0.406 nan 8.360 nan 0.000 0.514 1154 A N -0.470 122.322 122.820 -0.046 0.000 2.288 1154 A HA 0.446 4.767 4.320 0.001 0.000 0.216 1154 A C 2.395 179.970 177.584 -0.016 0.000 1.199 1154 A CA 1.330 53.352 52.037 -0.024 0.000 0.891 1154 A CB -0.112 18.873 19.000 -0.024 0.000 0.923 1154 A HN 0.545 nan 8.150 nan 0.000 0.500 1155 K N -0.104 120.281 120.400 -0.025 0.000 2.001 1155 K HA -0.291 4.030 4.320 0.001 0.000 0.223 1155 K C 1.819 178.413 176.600 -0.010 0.000 1.055 1155 K CA 2.939 59.215 56.287 -0.018 0.000 0.965 1155 K CB -2.233 30.250 32.500 -0.029 0.000 0.730 1155 K HN 0.849 nan 8.250 nan 0.000 0.449 1156 D N 0.224 120.618 120.400 -0.011 0.000 2.280 1156 D HA -0.016 4.624 4.640 0.001 0.000 0.206 1156 D C 1.910 178.209 176.300 -0.002 0.000 0.988 1156 D CA 1.562 55.558 54.000 -0.006 0.000 0.886 1156 D CB -0.452 40.345 40.800 -0.005 0.000 0.914 1156 D HN 0.614 nan 8.370 nan 0.000 0.473 1157 I N -1.219 119.351 120.570 -0.000 0.000 2.927 1157 I HA 0.044 4.214 4.170 0.001 0.000 0.268 1157 I C 1.398 177.521 176.117 0.010 0.000 1.153 1157 I CA 0.414 61.717 61.300 0.004 0.000 1.459 1157 I CB 0.668 38.671 38.000 0.006 0.000 1.149 1157 I HN 0.286 nan 8.210 nan 0.000 0.443 1158 c N 0.956 119.563 118.600 0.013 0.000 3.000 1158 c HA 0.256 4.827 4.570 0.001 0.000 0.286 1158 c C 2.555 176.655 174.090 0.017 0.000 1.343 1158 c CA 0.423 56.764 56.329 0.020 0.000 1.742 1158 c CB -0.848 41.680 42.510 0.030 0.000 2.200 1158 c HN 0.543 nan 8.230 nan 0.000 0.621 1159 E N 1.515 121.720 120.200 0.009 0.000 2.058 1159 E HA -0.200 4.150 4.350 0.001 0.000 0.194 1159 E C 1.869 178.475 176.600 0.009 0.000 0.997 1159 E CA 1.945 58.349 56.400 0.007 0.000 0.801 1159 E CB -0.632 29.069 29.700 0.001 0.000 0.746 1159 E HN 0.796 nan 8.360 nan 0.000 0.450 1160 E N -0.831 119.375 120.200 0.009 0.000 2.482 1160 E HA 0.205 4.556 4.350 0.001 0.000 0.196 1160 E C 2.054 178.662 176.600 0.014 0.000 1.047 1160 E CA 1.542 57.947 56.400 0.010 0.000 0.869 1160 E CB -0.744 28.960 29.700 0.007 0.000 0.836 1160 E HN 0.803 nan 8.360 nan 0.000 0.520 1161 Q N -1.055 118.757 119.800 0.018 0.000 2.442 1161 Q HA 0.652 4.992 4.340 0.001 0.000 0.228 1161 Q C 1.662 177.679 176.000 0.029 0.000 0.902 1161 Q CA 0.590 56.408 55.803 0.024 0.000 0.933 1161 Q CB -0.328 28.427 28.738 0.028 0.000 1.071 1161 Q HN 1.138 nan 8.270 nan 0.000 0.562 1162 V N 2.508 122.440 119.914 0.030 0.000 2.387 1162 V HA 0.220 4.340 4.120 0.001 0.000 0.260 1162 V C 0.674 176.785 176.094 0.027 0.000 1.054 1162 V CA -0.308 62.013 62.300 0.035 0.000 0.967 1162 V CB -0.138 31.709 31.823 0.040 0.000 1.036 1162 V HN 0.494 nan 8.190 nan 0.000 0.481 1163 N N 4.608 123.324 118.700 0.026 0.000 2.006 1163 N HA -0.126 4.614 4.740 0.001 0.000 0.196 1163 N C 1.514 177.035 175.510 0.018 0.000 1.070 1163 N CA 1.853 54.914 53.050 0.019 0.000 0.859 1163 N CB -0.258 38.240 38.487 0.018 0.000 1.060 1163 N HN 0.892 nan 8.380 nan 0.000 0.424 1164 S N 0.892 116.604 115.700 0.019 0.000 4.175 1164 S HA 0.323 4.794 4.470 0.001 0.000 0.193 1164 S C 1.196 175.812 174.600 0.028 0.000 1.373 1164 S CA -0.277 57.932 58.200 0.016 0.000 0.908 1164 S CB -0.701 62.505 63.200 0.009 0.000 1.547 1164 S HN 0.291 nan 8.310 nan 0.000 0.440 1165 L N 1.492 122.732 121.223 0.027 0.000 2.488 1165 L HA 0.355 4.696 4.340 0.001 0.000 0.186 1165 L C -1.455 175.434 176.870 0.032 0.000 1.124 1165 L CA 0.690 55.552 54.840 0.036 0.000 0.838 1165 L CB -0.184 41.892 42.059 0.027 0.000 1.107 1165 L HN 0.170 nan 8.230 nan 0.000 0.494 1166 P HA -0.110 nan 4.420 nan 0.000 0.211 1166 P C 1.633 178.940 177.300 0.012 0.000 1.179 1166 P CA 2.125 65.232 63.100 0.011 0.000 0.910 1166 P CB -0.514 31.188 31.700 0.004 0.000 0.785 1167 G N -0.075 108.729 108.800 0.007 0.000 2.547 1167 G HA2 -0.367 3.594 3.960 0.001 0.000 0.221 1167 G HA3 -0.367 3.594 3.960 0.001 0.000 0.221 1167 G C 1.776 176.677 174.900 0.001 0.000 1.140 1167 G CA 1.934 47.034 45.100 0.000 0.000 0.760 1167 G HN 0.455 nan 8.290 nan 0.000 0.583 1168 S N 0.149 115.857 115.700 0.013 0.000 2.406 1168 S HA 0.051 4.522 4.470 0.001 0.000 0.228 1168 S C 2.301 176.937 174.600 0.061 0.000 1.020 1168 S CA 0.800 59.013 58.200 0.022 0.000 0.965 1168 S CB -0.174 63.068 63.200 0.070 0.000 0.798 1168 S HN 0.207 nan 8.310 nan 0.000 0.488 1169 I N 2.509 123.114 120.570 0.058 0.000 2.208 1169 I HA -0.143 4.027 4.170 0.001 0.000 0.245 1169 I C 2.499 178.640 176.117 0.040 0.000 1.097 1169 I CA 1.603 62.935 61.300 0.053 0.000 1.363 1169 I CB -1.848 36.163 38.000 0.018 0.000 1.051 1169 I HN 0.418 nan 8.210 nan 0.000 0.413 1170 T N 1.057 115.624 114.554 0.023 0.000 2.643 1170 T HA -0.137 4.213 4.350 0.001 0.000 0.256 1170 T C 2.324 177.040 174.700 0.028 0.000 1.061 1170 T CA 2.209 64.320 62.100 0.017 0.000 1.163 1170 T CB -0.607 68.265 68.868 0.007 0.000 0.865 1170 T HN 0.420 nan 8.240 nan 0.000 0.407 1171 K N 1.306 121.714 120.400 0.012 0.000 2.173 1171 K HA 0.058 4.379 4.320 0.001 0.000 0.207 1171 K C 2.413 179.030 176.600 0.028 0.000 1.046 1171 K CA 1.894 58.184 56.287 0.006 0.000 0.929 1171 K CB -1.368 31.107 32.500 -0.042 0.000 0.720 1171 K HN 0.505 nan 8.250 nan 0.000 0.453 1172 A N 0.400 123.240 122.820 0.033 0.000 1.861 1172 A HA 0.316 4.637 4.320 0.001 0.000 0.212 1172 A C 2.860 180.538 177.584 0.156 0.000 1.199 1172 A CA 1.478 53.566 52.037 0.085 0.000 0.613 1172 A CB -0.906 18.198 19.000 0.175 0.000 0.846 1172 A HN 0.637 nan 8.150 nan 0.000 0.446 1173 G N -0.003 108.860 108.800 0.105 0.000 2.422 1173 G HA2 -0.236 3.724 3.960 0.001 0.000 0.218 1173 G HA3 -0.236 3.724 3.960 0.001 0.000 0.218 1173 G C 1.057 176.008 174.900 0.084 0.000 1.146 1173 G CA 1.334 46.481 45.100 0.079 0.000 0.769 1173 G HN 0.434 nan 8.290 nan 0.000 0.547 1174 D N -0.128 120.323 120.400 0.086 0.000 2.117 1174 D HA -0.095 4.545 4.640 0.001 0.000 0.197 1174 D C 1.908 178.277 176.300 0.116 0.000 0.987 1174 D CA 0.425 54.470 54.000 0.075 0.000 0.829 1174 D CB -0.392 40.447 40.800 0.064 0.000 0.961 1174 D HN 0.301 nan 8.370 nan 0.000 0.460 1175 F N 1.566 121.526 119.950 0.017 0.000 2.069 1175 F HA -0.213 4.315 4.527 0.001 0.000 0.298 1175 F C 2.559 178.393 175.800 0.057 0.000 1.113 1175 F CA 1.879 59.896 58.000 0.028 0.000 1.214 1175 F CB -0.667 38.344 39.000 0.018 0.000 0.978 1175 F HN 0.006 nan 8.300 nan 0.000 0.474 1176 L N 0.108 121.484 121.223 0.255 0.000 2.127 1176 L HA -0.080 4.261 4.340 0.001 0.000 0.211 1176 L C 2.288 179.233 176.870 0.124 0.000 1.089 1176 L CA 2.770 57.718 54.840 0.181 0.000 0.757 1176 L CB -2.434 39.763 42.059 0.231 0.000 0.899 1176 L HN 0.468 nan 8.230 nan 0.000 0.434 1177 E N -0.086 120.152 120.200 0.063 0.000 2.008 1177 E HA 0.192 4.542 4.350 0.001 0.000 0.191 1177 E C 2.267 178.876 176.600 0.015 0.000 0.986 1177 E CA 1.194 57.605 56.400 0.019 0.000 0.807 1177 E CB -1.078 28.608 29.700 -0.023 0.000 0.766 1177 E HN 1.493 nan 8.360 nan 0.000 0.450 1178 A N 0.119 122.919 122.820 -0.034 0.000 2.150 1178 A HA 0.223 4.544 4.320 0.001 0.000 0.220 1178 A C 1.030 178.549 177.584 -0.107 0.000 1.356 1178 A CA 1.023 53.027 52.037 -0.054 0.000 1.145 1178 A CB -0.869 18.096 19.000 -0.058 0.000 0.826 1178 A HN 0.541 nan 8.150 nan 0.000 0.524 1179 N N -3.500 115.150 118.700 -0.082 0.000 1.893 1179 N HA 0.028 4.768 4.740 0.001 0.000 0.232 1179 N C 0.962 176.473 175.510 0.001 0.000 1.392 1179 N CA -0.179 52.797 53.050 -0.123 0.000 0.801 1179 N CB -0.034 38.249 38.487 -0.340 0.000 1.084 1179 N HN 0.333 nan 8.380 nan 0.000 0.479 1180 Y N 2.260 122.524 120.300 -0.060 0.000 2.096 1180 Y HA -0.219 4.331 4.550 0.000 0.000 0.278 1180 Y C 1.782 177.691 175.900 0.015 0.000 1.192 1180 Y CA 1.730 59.828 58.100 -0.005 0.000 1.143 1180 Y CB 0.011 38.476 38.460 0.008 0.000 0.963 1180 Y HN 0.048 nan 8.280 nan 0.000 0.505 1181 M N 0.466 120.172 119.600 0.176 0.000 2.776 1181 M HA -0.101 4.379 4.480 0.001 0.000 0.233 1181 M C 0.018 176.335 176.300 0.028 0.000 1.078 1181 M CA 0.998 56.358 55.300 0.101 0.000 1.058 1181 M CB -1.002 31.653 32.600 0.092 0.000 1.611 1181 M HN 0.356 nan 8.290 nan 0.000 0.541 1182 N N 0.339 119.035 118.700 -0.007 0.000 2.305 1182 N HA 0.285 5.025 4.740 0.001 0.000 0.248 1182 N C -0.400 175.091 175.510 -0.030 0.000 1.290 1182 N CA -0.002 53.037 53.050 -0.018 0.000 0.873 1182 N CB 1.284 39.755 38.487 -0.026 0.000 1.261 1182 N HN 0.316 nan 8.380 nan 0.000 0.504 1183 L N 0.635 121.821 121.223 -0.060 0.000 2.375 1183 L HA 0.386 4.726 4.340 0.001 0.000 0.271 1183 L C 1.733 178.589 176.870 -0.024 0.000 1.107 1183 L CA -0.029 54.774 54.840 -0.063 0.000 0.806 1183 L CB 1.129 43.091 42.059 -0.161 0.000 1.146 1183 L HN 0.101 nan 8.230 nan 0.000 0.447 1184 Q N 2.167 121.970 119.800 0.005 0.000 2.388 1184 Q HA 0.257 4.598 4.340 0.001 0.000 0.204 1184 Q C 1.341 177.366 176.000 0.040 0.000 0.946 1184 Q CA 0.776 56.591 55.803 0.020 0.000 0.880 1184 Q CB -0.208 28.543 28.738 0.023 0.000 0.997 1184 Q HN 0.699 nan 8.270 nan 0.000 0.552 1185 R N 1.110 121.650 120.500 0.068 0.000 2.543 1185 R HA 0.432 4.772 4.340 0.001 0.000 0.277 1185 R C 1.446 177.838 176.300 0.154 0.000 1.074 1185 R CA 0.345 56.515 56.100 0.116 0.000 1.076 1185 R CB -0.185 30.207 30.300 0.153 0.000 0.993 1185 R HN 0.575 nan 8.270 nan 0.000 0.459 1186 S N 0.655 116.468 115.700 0.188 0.000 2.383 1186 S HA -0.155 4.315 4.470 0.001 0.000 0.227 1186 S C 1.756 176.555 174.600 0.332 0.000 1.026 1186 S CA 1.478 59.835 58.200 0.262 0.000 0.981 1186 S CB -0.604 62.745 63.200 0.247 0.000 0.818 1186 S HN 0.752 nan 8.310 nan 0.000 0.472 1187 Y N 2.928 123.350 120.300 0.203 0.000 2.014 1187 Y HA -0.297 4.253 4.550 0.001 0.000 0.272 1187 Y C 2.509 178.489 175.900 0.133 0.000 1.164 1187 Y CA 2.245 60.458 58.100 0.188 0.000 1.114 1187 Y CB -1.109 37.454 38.460 0.172 0.000 0.961 1187 Y HN 0.207 nan 8.280 nan 0.000 0.489 1188 T N -0.259 114.482 114.554 0.312 0.000 2.946 1188 T HA -0.165 4.185 4.350 0.001 0.000 0.271 1188 T C 1.886 176.578 174.700 -0.013 0.000 1.104 1188 T CA 1.295 63.487 62.100 0.152 0.000 1.114 1188 T CB -0.616 68.346 68.868 0.157 0.000 0.867 1188 T HN 0.265 nan 8.240 nan 0.000 0.513 1189 V N 1.271 121.194 119.914 0.016 0.000 2.346 1189 V HA -0.017 4.104 4.120 0.001 0.000 0.244 1189 V C 2.897 179.063 176.094 0.120 0.000 1.037 1189 V CA 1.367 63.658 62.300 -0.016 0.000 1.029 1189 V CB -1.207 30.718 31.823 0.170 0.000 0.663 1189 V HN 0.508 nan 8.190 nan 0.000 0.454 1190 A N 0.193 123.048 122.820 0.057 0.000 1.858 1190 A HA -0.223 4.097 4.320 0.001 0.000 0.216 1190 A C 2.243 179.720 177.584 -0.179 0.000 1.190 1190 A CA 2.252 54.188 52.037 -0.169 0.000 0.617 1190 A CB -0.599 18.215 19.000 -0.310 0.000 0.827 1190 A HN 0.494 nan 8.150 nan 0.000 0.443 1191 I N -0.578 119.790 120.570 -0.336 0.000 2.142 1191 I HA -0.201 3.970 4.170 0.001 0.000 0.240 1191 I C 2.637 178.627 176.117 -0.211 0.000 1.078 1191 I CA 1.618 62.592 61.300 -0.543 0.000 1.343 1191 I CB -0.219 37.285 38.000 -0.826 0.000 1.046 1191 I HN 0.305 nan 8.210 nan 0.000 0.405 1192 A N 0.475 123.251 122.820 -0.073 0.000 2.024 1192 A HA -0.142 4.179 4.320 0.001 0.000 0.220 1192 A C 2.298 179.991 177.584 0.182 0.000 1.164 1192 A CA 1.715 53.807 52.037 0.093 0.000 0.643 1192 A CB -1.607 17.488 19.000 0.159 0.000 0.806 1192 A HN 0.596 nan 8.150 nan 0.000 0.451 1193 G N -1.921 106.978 108.800 0.165 0.000 2.408 1193 G HA2 -0.232 3.728 3.960 0.001 0.000 0.217 1193 G HA3 -0.232 3.728 3.960 0.001 0.000 0.217 1193 G C 1.490 176.269 174.900 -0.201 0.000 1.150 1193 G CA 1.112 46.187 45.100 -0.043 0.000 0.776 1193 G HN 0.557 nan 8.290 nan 0.000 0.542 1194 Y N 2.079 122.225 120.300 -0.258 0.000 2.421 1194 Y HA 0.367 4.917 4.550 0.001 0.000 0.292 1194 Y C 1.710 177.521 175.900 -0.149 0.000 1.136 1194 Y CA -0.096 57.886 58.100 -0.197 0.000 1.255 1194 Y CB -0.396 38.013 38.460 -0.086 0.000 0.991 1194 Y HN 0.293 nan 8.280 nan 0.000 0.552 1199 M N -0.863 118.641 119.600 -0.160 0.000 3.179 1199 M HA 0.716 5.197 4.480 0.001 0.000 0.267 1199 M C 0.935 177.178 176.300 -0.095 0.000 1.212 1199 M CA 0.407 55.633 55.300 -0.123 0.000 1.105 1199 M CB 0.271 32.801 32.600 -0.116 0.000 1.211 1199 M HN 0.326 nan 8.290 nan 0.000 0.541 1200 G N 0.011 108.756 108.800 -0.092 0.000 2.180 1200 G HA2 -0.407 3.553 3.960 0.001 0.000 0.263 1200 G HA3 -0.407 3.553 3.960 0.001 0.000 0.263 1200 G C 0.880 175.733 174.900 -0.078 0.000 0.989 1200 G CA 0.917 45.972 45.100 -0.074 0.000 0.692 1200 G HN 0.785 nan 8.290 nan 0.000 0.526 1201 R N -1.537 118.901 120.500 -0.102 0.000 2.191 1201 R HA 0.785 5.125 4.340 0.001 0.000 0.196 1201 R C 2.169 178.381 176.300 -0.147 0.000 0.991 1201 R CA 1.535 57.571 56.100 -0.107 0.000 1.075 1201 R CB -0.701 29.538 30.300 -0.102 0.000 1.040 1201 R HN 1.902 nan 8.270 nan 0.000 0.526 1202 L N 2.347 123.452 121.223 -0.196 0.000 2.652 1202 L HA 0.622 4.963 4.340 0.001 0.000 0.284 1202 L C 0.667 177.445 176.870 -0.154 0.000 1.204 1202 L CA 0.738 55.422 54.840 -0.260 0.000 1.105 1202 L CB -1.902 39.955 42.059 -0.337 0.000 1.393 1202 L HN 0.991 nan 8.230 nan 0.000 0.452 1203 K N 1.198 121.526 120.400 -0.120 0.000 2.373 1203 K HA 0.974 5.295 4.320 0.001 0.000 0.274 1203 K C 1.250 177.829 176.600 -0.036 0.000 1.024 1203 K CA 0.226 56.480 56.287 -0.056 0.000 0.867 1203 K CB 0.193 32.664 32.500 -0.047 0.000 1.524 1203 K HN 2.439 nan 8.250 nan 0.000 0.406 1204 G N 0.190 108.983 108.800 -0.011 0.000 2.611 1204 G HA2 -0.264 3.696 3.960 0.001 0.000 0.301 1204 G HA3 -0.264 3.696 3.960 0.001 0.000 0.301 1204 G C -0.658 174.251 174.900 0.015 0.000 1.233 1204 G CA 1.115 46.215 45.100 -0.000 0.000 0.993 1204 G HN 1.051 nan 8.290 nan 0.000 0.553 1205 P HA 0.078 nan 4.420 nan 0.000 0.225 1205 P C 2.114 179.450 177.300 0.060 0.000 1.156 1205 P CA 1.274 64.396 63.100 0.038 0.000 0.787 1205 P CB 0.028 31.747 31.700 0.032 0.000 0.802 1206 L N 0.146 121.384 121.223 0.024 0.000 2.023 1206 L HA -0.106 4.235 4.340 0.001 0.000 0.205 1206 L C 3.300 180.199 176.870 0.049 0.000 1.073 1206 L CA 1.904 56.745 54.840 0.002 0.000 0.745 1206 L CB -1.985 39.962 42.059 -0.187 0.000 0.900 1206 L HN -0.146 nan 8.230 nan 0.000 0.435 1207 L N -0.290 120.948 121.223 0.025 0.000 2.187 1207 L HA -0.205 4.136 4.340 0.001 0.000 0.213 1207 L C 2.482 179.483 176.870 0.218 0.000 1.100 1207 L CA 2.587 57.507 54.840 0.133 0.000 0.765 1207 L CB -2.799 39.311 42.059 0.085 0.000 0.904 1207 L HN 0.594 nan 8.230 nan 0.000 0.437 1208 N N -0.004 118.781 118.700 0.143 0.000 2.309 1208 N HA -0.096 4.644 4.740 0.001 0.000 0.182 1208 N C 2.307 177.907 175.510 0.149 0.000 1.018 1208 N CA 2.701 55.824 53.050 0.122 0.000 0.876 1208 N CB -0.618 37.916 38.487 0.078 0.000 0.972 1208 N HN 0.892 nan 8.380 nan 0.000 0.434 1209 K N 0.076 120.610 120.400 0.222 0.000 2.067 1209 K HA 0.224 4.544 4.320 0.001 0.000 0.203 1209 K C 1.913 178.722 176.600 0.349 0.000 1.048 1209 K CA 1.080 57.521 56.287 0.256 0.000 0.954 1209 K CB -1.105 31.589 32.500 0.323 0.000 0.737 1209 K HN 0.486 nan 8.250 nan 0.000 0.444 1210 F N 1.633 121.792 119.950 0.348 0.000 2.032 1210 F HA -0.224 4.303 4.527 0.000 0.000 0.297 1210 F C 1.981 178.050 175.800 0.448 0.000 1.125 1210 F CA 2.069 60.348 58.000 0.466 0.000 1.202 1210 F CB -0.683 38.542 39.000 0.376 0.000 0.958 1210 F HN 0.108 nan 8.300 nan 0.000 0.491 1211 L N -0.097 121.082 121.223 -0.074 0.000 1.994 1211 L HA -0.211 4.129 4.340 0.001 0.000 0.208 1211 L C 2.870 179.566 176.870 -0.290 0.000 1.071 1211 L CA 2.106 56.768 54.840 -0.297 0.000 0.745 1211 L CB -1.544 40.437 42.059 -0.130 0.000 0.892 1211 L HN 0.498 nan 8.230 nan 0.000 0.431 1212 T N -2.148 112.330 114.554 -0.126 0.000 2.822 1212 T HA -0.234 4.117 4.350 0.001 0.000 0.270 1212 T C 1.753 176.340 174.700 -0.188 0.000 1.064 1212 T CA 2.304 64.328 62.100 -0.128 0.000 1.131 1212 T CB -0.628 68.215 68.868 -0.041 0.000 0.858 1212 T HN 0.256 nan 8.240 nan 0.000 0.483 1213 T N 1.442 115.881 114.554 -0.193 0.000 2.904 1213 T HA 0.392 4.742 4.350 0.001 0.000 0.267 1213 T C 1.419 175.819 174.700 -0.501 0.000 1.059 1213 T CA 0.482 62.451 62.100 -0.219 0.000 1.137 1213 T CB -0.450 68.396 68.868 -0.036 0.000 0.879 1213 T HN 0.727 nan 8.240 nan 0.000 0.467 1214 A N 1.891 124.122 122.820 -0.983 0.000 2.553 1214 A HA 0.420 4.740 4.320 0.001 0.000 0.258 1214 A C 1.048 178.260 177.584 -0.620 0.000 1.069 1214 A CA 0.192 51.407 52.037 -1.371 0.000 0.767 1214 A CB -0.478 17.419 19.000 -1.837 0.000 0.997 1214 A HN 0.467 nan 8.150 nan 0.000 0.512 1215 K N 2.419 122.575 120.400 -0.407 0.000 2.989 1215 K HA 0.445 4.766 4.320 0.001 0.000 0.264 1215 K C 0.619 177.117 176.600 -0.170 0.000 1.228 1215 K CA 1.814 57.973 56.287 -0.213 0.000 1.186 1215 K CB -2.075 30.354 32.500 -0.118 0.000 1.409 1215 K HN 2.477 nan 8.250 nan 0.000 0.271 1220 W N 1.827 123.135 121.300 0.014 0.000 2.397 1220 W HA 0.449 5.110 4.660 0.000 0.000 0.327 1220 W C 0.717 177.274 176.519 0.063 0.000 1.421 1220 W CA 1.223 58.592 57.345 0.040 0.000 1.288 1220 W CB 0.498 30.000 29.460 0.070 0.000 1.312 1220 W HN 1.049 nan 8.180 nan 0.000 0.559 1221 E N 2.134 122.444 120.200 0.183 0.000 2.450 1221 E HA 0.577 4.927 4.350 0.001 0.000 0.272 1221 E C -1.227 175.457 176.600 0.139 0.000 0.967 1221 E CA -0.787 55.704 56.400 0.151 0.000 0.818 1221 E CB 2.380 32.125 29.700 0.075 0.000 1.401 1221 E HN 0.356 nan 8.360 nan 0.000 0.450 1222 D N -0.272 120.195 120.400 0.112 0.000 2.614 1222 D HA 0.439 5.080 4.640 0.001 0.000 0.203 1222 D C -2.531 173.793 176.300 0.039 0.000 1.312 1222 D CA -0.140 53.912 54.000 0.086 0.000 0.889 1222 D CB 1.766 42.644 40.800 0.130 0.000 1.615 1222 D HN 0.610 nan 8.370 nan 0.000 0.567 1223 P HA 0.480 nan 4.420 nan 0.000 0.261 1223 P C 0.403 177.678 177.300 -0.041 0.000 1.203 1223 P CA 0.766 63.858 63.100 -0.013 0.000 0.767 1223 P CB 0.621 32.312 31.700 -0.015 0.000 0.785 1224 G N 0.140 108.902 108.800 -0.064 0.000 2.491 1224 G HA2 0.524 4.484 3.960 0.001 0.000 0.183 1224 G HA3 0.524 4.484 3.960 0.001 0.000 0.183 1224 G C 0.258 175.067 174.900 -0.152 0.000 1.221 1224 G CA 0.187 45.214 45.100 -0.122 0.000 0.996 1224 G HN 0.752 nan 8.290 nan 0.000 0.474 1225 K N -0.177 120.052 120.400 -0.286 0.000 2.466 1225 K HA 0.530 4.851 4.320 0.001 0.000 0.278 1225 K C 1.519 178.046 176.600 -0.121 0.000 1.048 1225 K CA 1.864 57.978 56.287 -0.288 0.000 1.088 1225 K CB -0.551 31.553 32.500 -0.660 0.000 0.884 1225 K HN 1.883 nan 8.250 nan 0.000 0.478 1226 Q N 2.107 121.872 119.800 -0.059 0.000 2.167 1226 Q HA 0.014 4.354 4.340 0.001 0.000 0.202 1226 Q C 2.226 178.230 176.000 0.006 0.000 0.970 1226 Q CA 1.615 57.404 55.803 -0.023 0.000 0.855 1226 Q CB -0.549 28.156 28.738 -0.055 0.000 0.911 1226 Q HN 0.739 nan 8.270 nan 0.000 0.438 1227 L N -0.600 120.629 121.223 0.010 0.000 2.187 1227 L HA -0.199 4.141 4.340 0.001 0.000 0.213 1227 L C 2.526 179.510 176.870 0.190 0.000 1.100 1227 L CA 1.340 56.187 54.840 0.011 0.000 0.765 1227 L CB -0.423 41.666 42.059 0.049 0.000 0.904 1227 L HN 0.501 nan 8.230 nan 0.000 0.437 1228 Y N -0.020 120.276 120.300 -0.007 0.000 2.153 1228 Y HA -0.166 4.384 4.550 0.001 0.000 0.289 1228 Y C 2.600 178.612 175.900 0.186 0.000 1.127 1228 Y CA 0.802 58.948 58.100 0.078 0.000 1.131 1228 Y CB -0.782 37.678 38.460 0.001 0.000 0.995 1228 Y HN 0.250 nan 8.280 nan 0.000 0.505 1229 N N 0.022 118.902 118.700 0.301 0.000 2.104 1229 N HA -0.156 4.585 4.740 0.001 0.000 0.190 1229 N C 2.066 177.682 175.510 0.176 0.000 1.024 1229 N CA 1.536 54.733 53.050 0.244 0.000 0.853 1229 N CB -0.870 37.714 38.487 0.162 0.000 1.008 1229 N HN 0.169 nan 8.380 nan 0.000 0.424 1230 V N 1.880 121.852 119.914 0.097 0.000 2.282 1230 V HA -0.267 3.854 4.120 0.001 0.000 0.249 1230 V C 2.495 178.609 176.094 0.034 0.000 1.057 1230 V CA 2.122 64.441 62.300 0.030 0.000 1.032 1230 V CB -0.648 31.141 31.823 -0.057 0.000 0.645 1230 V HN 0.454 nan 8.190 nan 0.000 0.447 1231 E N 0.386 120.633 120.200 0.078 0.000 2.051 1231 E HA -0.217 4.133 4.350 0.001 0.000 0.192 1231 E C 2.214 178.864 176.600 0.083 0.000 0.991 1231 E CA 1.392 57.828 56.400 0.060 0.000 0.799 1231 E CB -0.286 29.515 29.700 0.168 0.000 0.748 1231 E HN 0.524 nan 8.360 nan 0.000 0.449 1232 A N 0.875 123.826 122.820 0.219 0.000 1.849 1232 A HA -0.248 4.073 4.320 0.001 0.000 0.217 1232 A C 2.504 180.122 177.584 0.056 0.000 1.202 1232 A CA 2.728 54.846 52.037 0.135 0.000 0.629 1232 A CB -1.490 17.686 19.000 0.293 0.000 0.834 1232 A HN 0.446 nan 8.150 nan 0.000 0.447 1233 T N 0.293 114.915 114.554 0.113 0.000 2.685 1233 T HA -0.193 4.157 4.350 0.001 0.000 0.268 1233 T C 2.183 176.827 174.700 -0.093 0.000 1.034 1233 T CA 1.772 63.916 62.100 0.074 0.000 1.149 1233 T CB -0.570 68.397 68.868 0.165 0.000 0.860 1233 T HN 0.471 nan 8.240 nan 0.000 0.449 1234 S N 0.447 116.074 115.700 -0.121 0.000 2.368 1234 S HA -0.173 4.298 4.470 0.001 0.000 0.226 1234 S C 1.805 176.197 174.600 -0.346 0.000 1.044 1234 S CA 1.563 59.616 58.200 -0.245 0.000 1.062 1234 S CB -0.634 62.371 63.200 -0.326 0.000 0.931 1234 S HN 0.533 nan 8.310 nan 0.000 0.440 1235 Y N 1.596 121.705 120.300 -0.319 0.000 2.128 1235 Y HA -0.175 4.375 4.550 0.001 0.000 0.284 1235 Y C 2.697 178.296 175.900 -0.501 0.000 1.154 1235 Y CA 0.666 58.479 58.100 -0.477 0.000 1.149 1235 Y CB -1.126 37.152 38.460 -0.302 0.000 0.976 1235 Y HN 0.276 nan 8.280 nan 0.000 0.505 1236 A N -0.292 122.345 122.820 -0.305 0.000 1.917 1236 A HA -0.239 4.081 4.320 0.001 0.000 0.219 1236 A C 2.247 179.636 177.584 -0.326 0.000 1.182 1236 A CA 2.031 53.730 52.037 -0.563 0.000 0.633 1236 A CB -1.151 17.022 19.000 -1.379 0.000 0.819 1236 A HN 0.447 nan 8.150 nan 0.000 0.448 1237 L N -0.522 120.555 121.223 -0.244 0.000 2.156 1237 L HA -0.007 4.334 4.340 0.001 0.000 0.208 1237 L C 2.655 179.453 176.870 -0.121 0.000 1.095 1237 L CA 1.884 56.663 54.840 -0.102 0.000 0.770 1237 L CB -0.389 41.630 42.059 -0.067 0.000 0.914 1237 L HN 0.353 nan 8.230 nan 0.000 0.439 1238 L N -1.987 119.052 121.223 -0.306 0.000 2.376 1238 L HA 0.234 4.574 4.340 0.001 0.000 0.219 1238 L C 2.487 179.251 176.870 -0.176 0.000 1.133 1238 L CA 1.767 56.351 54.840 -0.428 0.000 0.816 1238 L CB -2.109 39.288 42.059 -1.103 0.000 0.933 1238 L HN 0.476 nan 8.230 nan 0.000 0.449 1239 A N -1.133 121.631 122.820 -0.092 0.000 1.942 1239 A HA 0.375 4.696 4.320 0.001 0.000 0.209 1239 A C 2.512 180.132 177.584 0.059 0.000 1.214 1239 A CA 1.622 53.714 52.037 0.091 0.000 0.686 1239 A CB -0.701 18.215 19.000 -0.141 0.000 0.871 1239 A HN 1.278 nan 8.150 nan 0.000 0.460 1240 L N -0.172 121.140 121.223 0.149 0.000 2.043 1240 L HA 0.133 4.474 4.340 0.001 0.000 0.212 1240 L C 2.719 179.659 176.870 0.116 0.000 1.075 1240 L CA 2.556 57.537 54.840 0.236 0.000 0.752 1240 L CB -2.284 39.918 42.059 0.238 0.000 0.891 1240 L HN 0.914 nan 8.230 nan 0.000 0.432 1241 L N -0.522 120.764 121.223 0.106 0.000 2.798 1241 L HA 0.612 4.952 4.340 0.001 0.000 0.254 1241 L C 0.961 177.881 176.870 0.082 0.000 1.176 1241 L CA 1.549 56.461 54.840 0.120 0.000 0.991 1241 L CB -2.628 39.523 42.059 0.153 0.000 1.225 1241 L HN 1.347 nan 8.230 nan 0.000 0.420 1245 D N 1.138 121.148 120.400 -0.650 0.000 2.441 1245 D HA 0.628 5.268 4.640 0.001 0.000 0.287 1245 D C -0.141 175.965 176.300 -0.324 0.000 1.198 1245 D CA -0.554 53.193 54.000 -0.423 0.000 0.894 1245 D CB -0.320 40.409 40.800 -0.118 0.000 1.070 1245 D HN 0.282 nan 8.370 nan 0.000 0.499 1249 V N 1.099 121.120 119.914 0.177 0.000 2.453 1249 V HA -0.107 4.013 4.120 0.001 0.000 0.247 1249 V C -0.257 175.923 176.094 0.143 0.000 1.048 1249 V CA 2.515 64.927 62.300 0.187 0.000 1.049 1249 V CB -1.081 30.898 31.823 0.261 0.000 0.672 1249 V HN 0.428 nan 8.190 nan 0.000 0.457 1250 P HA -0.119 nan 4.420 nan 0.000 0.216 1250 P C -1.294 176.048 177.300 0.071 0.000 1.153 1250 P CA 1.853 65.003 63.100 0.083 0.000 0.858 1250 P CB -1.268 30.472 31.700 0.067 0.000 0.789 1251 P HA -0.128 nan 4.420 nan 0.000 0.214 1251 P C 1.911 179.254 177.300 0.071 0.000 1.162 1251 P CA 1.465 64.600 63.100 0.059 0.000 0.879 1251 P CB -0.916 30.814 31.700 0.049 0.000 0.786 1252 V N 0.154 120.130 119.914 0.103 0.000 2.252 1252 V HA -0.286 3.835 4.120 0.001 0.000 0.249 1252 V C 2.473 178.619 176.094 0.087 0.000 1.056 1252 V CA 2.796 65.173 62.300 0.129 0.000 1.022 1252 V CB -1.719 30.220 31.823 0.194 0.000 0.641 1252 V HN -0.101 nan 8.190 nan 0.000 0.445 1253 V N 0.593 120.552 119.914 0.075 0.000 2.282 1253 V HA -0.312 3.809 4.120 0.001 0.000 0.249 1253 V C 3.192 179.313 176.094 0.044 0.000 1.057 1253 V CA 3.353 65.685 62.300 0.053 0.000 1.032 1253 V CB -1.321 30.536 31.823 0.057 0.000 0.645 1253 V HN 0.891 nan 8.190 nan 0.000 0.447 1254 R N -1.224 119.303 120.500 0.046 0.000 2.073 1254 R HA -0.253 4.088 4.340 0.001 0.000 0.234 1254 R C 2.246 178.566 176.300 0.034 0.000 1.134 1254 R CA 2.891 59.014 56.100 0.037 0.000 0.952 1254 R CB -2.104 28.217 30.300 0.035 0.000 0.850 1254 R HN 0.804 nan 8.270 nan 0.000 0.433 1255 W N 0.539 121.863 121.300 0.040 0.000 2.318 1255 W HA 0.064 4.725 4.660 0.001 0.000 0.313 1255 W C 3.015 179.552 176.519 0.031 0.000 1.221 1255 W CA 3.230 60.598 57.345 0.039 0.000 1.266 1255 W CB -1.198 28.294 29.460 0.055 0.000 1.150 1255 W HN 0.722 nan 8.180 nan 0.000 0.496 1256 L N 0.922 122.161 121.223 0.027 0.000 1.989 1256 L HA -0.211 4.129 4.340 0.001 0.000 0.211 1256 L C 2.021 178.889 176.870 -0.003 0.000 1.071 1256 L CA 3.077 57.917 54.840 0.000 0.000 0.749 1256 L CB -1.933 40.112 42.059 -0.023 0.000 0.890 1256 L HN 0.529 nan 8.230 nan 0.000 0.431 1257 N N -0.082 118.623 118.700 0.009 0.000 2.043 1257 N HA -0.212 4.528 4.740 0.001 0.000 0.193 1257 N C 2.035 177.560 175.510 0.025 0.000 1.037 1257 N CA 2.139 55.200 53.050 0.019 0.000 0.851 1257 N CB -0.486 38.021 38.487 0.033 0.000 1.027 1257 N HN 0.774 nan 8.380 nan 0.000 0.422 1258 E N 0.898 121.113 120.200 0.025 0.000 2.171 1258 E HA -0.213 4.137 4.350 0.001 0.000 0.197 1258 E C 2.030 178.645 176.600 0.024 0.000 0.997 1258 E CA 1.958 58.372 56.400 0.024 0.000 0.810 1258 E CB -1.537 28.176 29.700 0.022 0.000 0.738 1258 E HN 0.708 nan 8.360 nan 0.000 0.467 1259 Q N -1.466 118.348 119.800 0.023 0.000 2.488 1259 Q HA 0.329 4.670 4.340 0.001 0.000 0.211 1259 Q C 1.832 177.860 176.000 0.047 0.000 0.967 1259 Q CA 2.047 57.863 55.803 0.022 0.000 0.926 1259 Q CB -1.212 27.532 28.738 0.009 0.000 0.992 1259 Q HN 1.716 nan 8.270 nan 0.000 0.506 1260 R N -0.625 119.906 120.500 0.052 0.000 2.884 1260 R HA -0.143 4.198 4.340 0.001 0.000 0.251 1260 R C -0.308 176.081 176.300 0.148 0.000 0.870 1260 R CA 1.219 57.362 56.100 0.072 0.000 0.647 1260 R CB -2.983 27.352 30.300 0.058 0.000 1.415 1260 R HN 1.096 nan 8.270 nan 0.000 0.513 1261 Y N 0.696 120.959 120.300 -0.061 0.000 2.478 1261 Y HA 0.492 5.043 4.550 0.001 0.000 0.329 1261 Y C 1.485 177.366 175.900 -0.031 0.000 0.967 1261 Y CA -0.716 57.348 58.100 -0.059 0.000 1.255 1261 Y CB 0.569 38.968 38.460 -0.101 0.000 1.103 1261 Y HN 0.552 nan 8.280 nan 0.000 0.497 1262 Y N 2.507 122.699 120.300 -0.181 0.000 2.516 1262 Y HA 0.392 4.942 4.550 0.001 0.000 0.291 1262 Y C 1.446 177.324 175.900 -0.038 0.000 1.131 1262 Y CA 0.423 58.540 58.100 0.029 0.000 1.281 1262 Y CB -0.684 37.747 38.460 -0.048 0.000 1.013 1262 Y HN 1.050 nan 8.280 nan 0.000 0.554 1263 G N -1.656 106.490 108.800 -1.089 0.000 2.757 1263 G HA2 0.449 4.410 3.960 0.001 0.000 0.638 1263 G HA3 0.449 4.410 3.960 0.001 0.000 0.638 1263 G C 0.530 175.389 174.900 -0.069 0.000 1.344 1263 G CA 0.226 44.768 45.100 -0.929 0.000 0.855 1263 G HN 2.813 nan 8.290 nan 0.000 0.537 1264 G N -1.812 107.032 108.800 0.074 0.000 2.663 1264 G HA2 0.540 4.500 3.960 0.001 0.000 0.686 1264 G HA3 0.540 4.500 3.960 0.001 0.000 0.686 1264 G C 1.074 176.110 174.900 0.226 0.000 1.246 1264 G CA 0.904 46.102 45.100 0.163 0.000 0.795 1264 G HN 3.263 nan 8.290 nan 0.000 0.627 1265 G N -0.748 108.165 108.800 0.189 0.000 2.629 1265 G HA2 0.403 4.363 3.960 0.001 0.000 0.686 1265 G HA3 0.403 4.363 3.960 0.001 0.000 0.686 1265 G C -0.134 174.885 174.900 0.198 0.000 1.232 1265 G CA 0.155 45.376 45.100 0.202 0.000 0.803 1265 G HN 2.328 nan 8.290 nan 0.000 0.638 1266 Y N 1.194 121.552 120.300 0.096 0.000 2.969 1266 Y HA 0.274 4.824 4.550 0.001 0.000 0.339 1266 Y C 1.594 177.545 175.900 0.086 0.000 1.272 1266 Y CA 1.933 60.081 58.100 0.080 0.000 1.577 1266 Y CB 0.347 38.847 38.460 0.066 0.000 1.234 1266 Y HN 2.521 nan 8.280 nan 0.000 0.590 1267 G N 4.249 112.641 108.800 -0.679 0.000 2.393 1267 G HA2 -0.266 3.694 3.960 0.001 0.000 0.299 1267 G HA3 -0.266 3.694 3.960 0.001 0.000 0.299 1267 G C 0.495 175.301 174.900 -0.157 0.000 0.990 1267 G CA 0.818 45.597 45.100 -0.534 0.000 1.118 1267 G HN 1.522 nan 8.290 nan 0.000 0.513 1268 S N -2.533 113.149 115.700 -0.030 0.000 2.733 1268 S HA 0.184 4.655 4.470 0.001 0.000 0.247 1268 S C 1.799 176.479 174.600 0.133 0.000 1.043 1268 S CA 1.120 59.391 58.200 0.118 0.000 1.066 1268 S CB 0.374 63.730 63.200 0.260 0.000 1.045 1268 S HN 0.354 nan 8.310 nan 0.000 0.586 1269 T N 3.171 117.756 114.554 0.052 0.000 2.597 1269 T HA -0.188 4.162 4.350 0.001 0.000 0.267 1269 T C 1.859 176.657 174.700 0.163 0.000 1.053 1269 T CA 2.083 64.233 62.100 0.083 0.000 1.165 1269 T CB -0.425 68.434 68.868 -0.016 0.000 0.863 1269 T HN 0.308 nan 8.240 nan 0.000 0.427 1270 Q N 0.582 120.448 119.800 0.111 0.000 2.084 1270 Q HA 0.041 4.381 4.340 0.001 0.000 0.202 1270 Q C 2.711 178.832 176.000 0.201 0.000 0.978 1270 Q CA 1.672 57.597 55.803 0.204 0.000 0.844 1270 Q CB -0.882 27.943 28.738 0.145 0.000 0.898 1270 Q HN 0.608 nan 8.270 nan 0.000 0.426 1271 A N 0.249 123.160 122.820 0.152 0.000 1.898 1271 A HA -0.148 4.172 4.320 0.001 0.000 0.216 1271 A C 2.366 180.069 177.584 0.199 0.000 1.181 1271 A CA 1.957 54.086 52.037 0.154 0.000 0.620 1271 A CB -0.853 18.232 19.000 0.142 0.000 0.819 1271 A HN 0.389 nan 8.150 nan 0.000 0.442 1272 T N -0.809 113.911 114.554 0.277 0.000 2.622 1272 T HA -0.170 4.180 4.350 0.001 0.000 0.266 1272 T C 1.637 176.474 174.700 0.229 0.000 1.047 1272 T CA 1.693 63.923 62.100 0.216 0.000 1.159 1272 T CB -0.467 68.532 68.868 0.219 0.000 0.863 1272 T HN 0.480 nan 8.240 nan 0.000 0.422 1273 F N 0.679 120.712 119.950 0.137 0.000 2.269 1273 F HA -0.073 4.455 4.527 0.001 0.000 0.301 1273 F C 2.083 177.911 175.800 0.045 0.000 1.082 1273 F CA 0.938 59.013 58.000 0.126 0.000 1.360 1273 F CB -0.128 38.982 39.000 0.184 0.000 1.041 1273 F HN 0.037 nan 8.300 nan 0.000 0.512 1274 M N -1.077 118.503 119.600 -0.033 0.000 2.299 1274 M HA -0.042 4.438 4.480 0.001 0.000 0.264 1274 M C 2.441 178.558 176.300 -0.306 0.000 1.095 1274 M CA 0.845 55.977 55.300 -0.279 0.000 1.165 1274 M CB -1.288 31.113 32.600 -0.331 0.000 1.349 1274 M HN 0.137 nan 8.290 nan 0.000 0.446 1275 V N 0.664 120.433 119.914 -0.242 0.000 2.252 1275 V HA -0.301 3.820 4.120 0.001 0.000 0.249 1275 V C 2.182 178.030 176.094 -0.411 0.000 1.056 1275 V CA 2.170 64.266 62.300 -0.341 0.000 1.022 1275 V CB -0.464 31.115 31.823 -0.408 0.000 0.641 1275 V HN 0.272 nan 8.190 nan 0.000 0.445 1276 F N -0.115 119.695 119.950 -0.234 0.000 2.259 1276 F HA -0.039 4.489 4.527 0.001 0.000 0.298 1276 F C 2.512 178.229 175.800 -0.139 0.000 1.088 1276 F CA 1.673 59.485 58.000 -0.314 0.000 1.358 1276 F CB -0.667 38.103 39.000 -0.384 0.000 1.040 1276 F HN 0.223 nan 8.300 nan 0.000 0.505 1277 Q N 0.051 119.799 119.800 -0.087 0.000 2.364 1277 Q HA -0.099 4.242 4.340 0.001 0.000 0.207 1277 Q C 1.992 177.959 176.000 -0.055 0.000 0.970 1277 Q CA 1.156 56.888 55.803 -0.118 0.000 0.888 1277 Q CB 0.013 28.436 28.738 -0.527 0.000 0.951 1277 Q HN 0.409 nan 8.270 nan 0.000 0.469 1278 A N 0.044 122.798 122.820 -0.111 0.000 1.942 1278 A HA 0.084 4.405 4.320 0.001 0.000 0.209 1278 A C 1.841 179.424 177.584 -0.001 0.000 1.214 1278 A CA 0.018 51.990 52.037 -0.107 0.000 0.686 1278 A CB -0.267 18.608 19.000 -0.209 0.000 0.871 1278 A HN 0.358 nan 8.150 nan 0.000 0.460 1279 L N -0.402 120.841 121.223 0.035 0.000 2.456 1279 L HA -0.121 4.219 4.340 0.001 0.000 0.224 1279 L C 2.710 179.756 176.870 0.294 0.000 1.148 1279 L CA 0.751 55.677 54.840 0.144 0.000 0.825 1279 L CB -0.345 41.787 42.059 0.122 0.000 0.937 1279 L HN 0.501 nan 8.230 nan 0.000 0.450 1280 A N -0.497 122.502 122.820 0.299 0.000 1.881 1280 A HA -0.158 4.162 4.320 0.001 0.000 0.210 1280 A C 2.114 179.734 177.584 0.059 0.000 1.239 1280 A CA 0.567 52.711 52.037 0.180 0.000 0.629 1280 A CB -0.379 18.749 19.000 0.213 0.000 0.906 1280 A HN 0.281 nan 8.150 nan 0.000 0.460 1281 Q N -1.302 118.546 119.800 0.079 0.000 2.376 1281 Q HA -0.223 4.117 4.340 0.001 0.000 0.211 1281 Q C 1.793 177.827 176.000 0.058 0.000 0.986 1281 Q CA 2.396 58.238 55.803 0.065 0.000 0.886 1281 Q CB -0.744 28.037 28.738 0.073 0.000 0.927 1281 Q HN 0.814 nan 8.270 nan 0.000 0.457 1282 Y N -0.683 119.651 120.300 0.057 0.000 2.206 1282 Y HA -0.103 4.448 4.550 0.001 0.000 0.292 1282 Y C 1.942 177.860 175.900 0.031 0.000 1.123 1282 Y CA 1.446 59.582 58.100 0.060 0.000 1.142 1282 Y CB -0.785 37.713 38.460 0.063 0.000 1.006 1282 Y HN 0.304 nan 8.280 nan 0.000 0.518 1283 Q N 0.323 120.129 119.800 0.010 0.000 2.226 1283 Q HA -0.125 4.215 4.340 0.001 0.000 0.204 1283 Q C 2.476 178.454 176.000 -0.036 0.000 0.975 1283 Q CA 1.831 57.617 55.803 -0.029 0.000 0.866 1283 Q CB -0.158 28.543 28.738 -0.062 0.000 0.915 1283 Q HN 0.789 nan 8.270 nan 0.000 0.440 1284 K N 0.690 121.076 120.400 -0.022 0.000 2.128 1284 K HA -0.048 4.273 4.320 0.001 0.000 0.202 1284 K C 1.614 178.221 176.600 0.011 0.000 1.050 1284 K CA 1.456 57.733 56.287 -0.017 0.000 0.966 1284 K CB -1.353 31.136 32.500 -0.018 0.000 0.759 1284 K HN 0.465 nan 8.250 nan 0.000 0.454 1285 D N 0.575 121.000 120.400 0.043 0.000 2.137 1285 D HA 0.450 5.091 4.640 0.001 0.000 0.202 1285 D C 1.572 177.931 176.300 0.098 0.000 0.970 1285 D CA 0.967 55.021 54.000 0.090 0.000 0.837 1285 D CB -0.386 40.493 40.800 0.131 0.000 0.981 1285 D HN 0.824 nan 8.370 nan 0.000 0.475 1286 A N 0.000 122.839 122.820 0.032 0.000 2.254 1286 A HA 0.000 4.320 4.320 0.001 0.000 0.244 1286 A CA 0.000 51.929 52.037 -0.180 0.000 0.836 1286 A CB 0.000 18.866 19.000 -0.224 0.000 0.831 1286 A HN 0.000 nan 8.150 nan 0.000 0.486