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 2zm3_1_D DATA FIRST_RESID 980 DATA SEQUENCE SFSAADVYVP DEWEVAREKI TMSRELGQGS FGMVYEGVAK GVVKDEPETR DATA SEQUENCE VAIKTVNEAA SMRERIEFLN EASVMKEFNC HHVVRLLGVV SQGQPTLVIM DATA SEQUENCE ELMTRGDLKS YLRSLRPXXX XXXXXXXPSL SKMIQMAGEI ADGMAYLNAN DATA SEQUENCE KFVHRDLAAR NCMVAEDFTV KIGDFGMTRD IXETDXXRKG GKGLLPVRWM DATA SEQUENCE SPESLKDGVF TTYSDVWSFG VVLWEIATLA EQPYQGLSNE QVLRFVMEGG DATA SEQUENCE LLDKPDNCPD MLFELMRMCW QYNPKMRPSF LEIISSIKEE MEPGFREVSF DATA SEQUENCE YYSEEN 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 980 S HA 0.000 nan 4.470 nan 0.000 0.327 980 S C 0.000 174.656 174.600 0.094 0.000 1.055 980 S CA 0.000 58.243 58.200 0.071 0.000 1.107 980 S CB 0.000 63.244 63.200 0.074 0.000 0.593 981 F N 4.557 124.512 119.950 0.008 0.000 2.504 981 F HA 0.582 5.109 4.527 -0.000 0.000 0.369 981 F C 0.325 176.137 175.800 0.020 0.000 1.082 981 F CA 1.111 59.118 58.000 0.012 0.000 1.216 981 F CB 0.897 39.903 39.000 0.010 0.000 1.108 981 F HN 0.296 nan 8.300 nan 0.000 0.554 982 S N 3.787 119.279 115.700 -0.347 0.000 2.705 982 S HA 0.686 5.156 4.470 -0.000 0.000 0.280 982 S C 0.447 174.908 174.600 -0.231 0.000 1.174 982 S CA -0.423 57.686 58.200 -0.151 0.000 0.823 982 S CB 1.004 64.155 63.200 -0.082 0.000 1.162 982 S HN 0.860 nan 8.310 nan 0.000 0.487 983 A N 0.506 123.294 122.820 -0.053 0.000 2.024 983 A HA 0.208 4.528 4.320 -0.000 0.000 0.220 983 A C 2.185 179.796 177.584 0.046 0.000 1.164 983 A CA 1.981 54.048 52.037 0.050 0.000 0.643 983 A CB -1.572 17.396 19.000 -0.053 0.000 0.806 983 A HN 1.535 nan 8.150 nan 0.000 0.451 984 A N -0.417 122.368 122.820 -0.058 0.000 2.121 984 A HA -0.106 4.214 4.320 -0.000 0.000 0.218 984 A C 1.568 179.086 177.584 -0.110 0.000 1.154 984 A CA 1.445 53.458 52.037 -0.041 0.000 0.679 984 A CB -0.308 18.673 19.000 -0.032 0.000 0.795 984 A HN 0.516 nan 8.150 nan 0.000 0.458 985 D N -0.753 119.488 120.400 -0.264 0.000 2.323 985 D HA 0.021 4.661 4.640 -0.000 0.000 0.209 985 D C 1.588 177.754 176.300 -0.223 0.000 0.973 985 D CA 1.029 54.829 54.000 -0.333 0.000 0.874 985 D CB 0.415 40.779 40.800 -0.726 0.000 0.930 985 D HN 0.338 nan 8.370 nan 0.000 0.521 986 V N -0.569 119.255 119.914 -0.149 0.000 3.048 986 V HA -0.028 4.092 4.120 -0.000 0.000 0.241 986 V C 1.346 177.317 176.094 -0.205 0.000 1.129 986 V CA 0.341 62.558 62.300 -0.138 0.000 1.128 986 V CB -0.281 31.473 31.823 -0.116 0.000 0.849 986 V HN 0.057 nan 8.190 nan 0.000 0.475 987 Y N 1.029 121.266 120.300 -0.105 0.000 2.466 987 Y HA 0.362 4.912 4.550 -0.000 0.000 0.272 987 Y C 0.639 176.460 175.900 -0.132 0.000 1.169 987 Y CA -0.030 58.015 58.100 -0.092 0.000 1.285 987 Y CB 0.675 39.102 38.460 -0.055 0.000 1.078 987 Y HN 0.202 nan 8.280 nan 0.000 0.523 988 V N -2.795 117.075 119.914 -0.073 0.000 2.789 988 V HA 0.641 4.761 4.120 -0.000 0.000 0.311 988 V C -2.986 172.856 176.094 -0.420 0.000 1.073 988 V CA -3.217 58.929 62.300 -0.256 0.000 0.921 988 V CB 1.767 33.549 31.823 -0.069 0.000 1.009 988 V HN -0.251 nan 8.190 nan 0.000 0.426 989 P HA 0.353 nan 4.420 nan 0.000 0.275 989 P C -0.257 176.744 177.300 -0.498 0.000 1.227 989 P CA -0.064 62.626 63.100 -0.684 0.000 0.781 989 P CB 0.593 31.692 31.700 -1.002 0.000 0.906 990 D N 1.107 121.340 120.400 -0.278 0.000 2.378 990 D HA -0.127 4.512 4.640 -0.000 0.000 0.222 990 D C 1.493 177.735 176.300 -0.097 0.000 0.980 990 D CA 0.708 54.619 54.000 -0.148 0.000 0.907 990 D CB -0.111 40.631 40.800 -0.097 0.000 0.899 990 D HN 0.631 nan 8.370 nan 0.000 0.527 991 E N -0.385 119.728 120.200 -0.146 0.000 2.285 991 E HA -0.134 4.216 4.350 -0.000 0.000 0.194 991 E C 0.951 177.656 176.600 0.176 0.000 0.997 991 E CA 0.427 56.825 56.400 -0.004 0.000 0.845 991 E CB -0.335 29.368 29.700 0.005 0.000 0.782 991 E HN 0.245 nan 8.360 nan 0.000 0.491 992 W N 2.151 123.432 121.300 -0.033 0.000 3.180 992 W HA 0.252 4.912 4.660 -0.000 0.000 0.254 992 W C 0.443 176.944 176.519 -0.030 0.000 1.318 992 W CA -0.729 56.594 57.345 -0.037 0.000 1.608 992 W CB -0.701 28.729 29.460 -0.051 0.000 1.124 992 W HN 0.089 nan 8.180 nan 0.000 0.694 993 E N 0.959 121.252 120.200 0.155 0.000 2.344 993 E HA 0.260 4.610 4.350 -0.000 0.000 0.270 993 E C -0.575 176.067 176.600 0.069 0.000 1.021 993 E CA 0.160 56.612 56.400 0.087 0.000 0.887 993 E CB 0.902 30.623 29.700 0.034 0.000 0.997 993 E HN -0.207 nan 8.360 nan 0.000 0.429 994 V N 4.062 124.011 119.914 0.057 0.000 2.448 994 V HA 0.583 4.703 4.120 -0.000 0.000 0.295 994 V C 0.051 176.162 176.094 0.028 0.000 1.025 994 V CA -0.754 61.569 62.300 0.039 0.000 0.859 994 V CB 1.438 33.282 31.823 0.035 0.000 0.988 994 V HN 0.915 nan 8.190 nan 0.000 0.431 995 A N 4.601 127.432 122.820 0.020 0.000 2.520 995 A HA 0.267 4.587 4.320 -0.000 0.000 0.245 995 A C 1.337 178.928 177.584 0.011 0.000 1.072 995 A CA 0.103 52.148 52.037 0.013 0.000 0.761 995 A CB -0.036 18.970 19.000 0.009 0.000 1.004 995 A HN 1.065 nan 8.150 nan 0.000 0.499 996 R N 1.881 122.385 120.500 0.007 0.000 2.280 996 R HA -0.091 4.249 4.340 -0.000 0.000 0.207 996 R C 0.993 177.292 176.300 -0.002 0.000 1.043 996 R CA 1.310 57.412 56.100 0.003 0.000 1.006 996 R CB -0.037 30.263 30.300 -0.000 0.000 0.885 996 R HN 0.810 nan 8.270 nan 0.000 0.467 997 E N 2.043 122.242 120.200 -0.001 0.000 2.204 997 E HA -0.186 4.164 4.350 -0.000 0.000 0.195 997 E C 0.936 177.535 176.600 -0.002 0.000 0.990 997 E CA 1.043 57.441 56.400 -0.003 0.000 0.821 997 E CB -0.185 29.514 29.700 -0.002 0.000 0.750 997 E HN 0.480 nan 8.360 nan 0.000 0.477 998 K N 0.389 120.790 120.400 0.001 0.000 2.525 998 K HA 0.123 4.443 4.320 -0.000 0.000 0.192 998 K C 0.379 176.980 176.600 0.002 0.000 1.029 998 K CA 0.175 56.463 56.287 0.003 0.000 1.029 998 K CB 0.374 32.878 32.500 0.006 0.000 0.814 998 K HN 0.116 nan 8.250 nan 0.000 0.503 999 I N 1.429 121.999 120.570 0.000 0.000 2.377 999 I HA 0.162 4.332 4.170 -0.000 0.000 0.293 999 I C -0.088 176.023 176.117 -0.010 0.000 0.987 999 I CA -0.161 61.138 61.300 -0.001 0.000 1.185 999 I CB 1.614 39.616 38.000 0.003 0.000 1.341 999 I HN -0.201 nan 8.210 nan 0.000 0.455 1000 T N 7.199 121.747 114.554 -0.009 0.000 2.841 1000 T HA 0.580 4.929 4.350 -0.000 0.000 0.285 1000 T C 0.031 174.720 174.700 -0.019 0.000 0.991 1000 T CA -0.565 61.524 62.100 -0.017 0.000 0.966 1000 T CB 1.631 70.493 68.868 -0.010 0.000 0.962 1000 T HN 0.340 nan 8.240 nan 0.000 0.438 1001 M N 1.936 121.509 119.600 -0.045 0.000 2.478 1001 M HA 0.507 4.987 4.480 -0.000 0.000 0.327 1001 M C 1.020 177.304 176.300 -0.028 0.000 1.187 1001 M CA -0.724 54.544 55.300 -0.053 0.000 1.022 1001 M CB 1.906 34.398 32.600 -0.180 0.000 1.629 1001 M HN 0.724 nan 8.290 nan 0.000 0.461 1002 S N 1.468 117.183 115.700 0.025 0.000 3.608 1002 S HA 0.307 4.777 4.470 -0.000 0.000 0.234 1002 S C 0.107 174.755 174.600 0.081 0.000 1.077 1002 S CA -0.323 57.901 58.200 0.041 0.000 0.827 1002 S CB 0.731 63.955 63.200 0.040 0.000 0.964 1002 S HN 0.828 nan 8.310 nan 0.000 0.547 1003 R N 0.518 121.100 120.500 0.136 0.000 2.799 1003 R HA 0.608 4.948 4.340 -0.000 0.000 0.270 1003 R C -1.562 174.866 176.300 0.213 0.000 1.010 1003 R CA -0.856 55.334 56.100 0.151 0.000 0.916 1003 R CB 0.941 31.287 30.300 0.077 0.000 1.228 1003 R HN 0.201 nan 8.270 nan 0.000 0.469 1004 E N 1.175 121.447 120.200 0.120 0.000 2.338 1004 E HA 0.127 4.477 4.350 -0.000 0.000 0.272 1004 E C 0.132 176.689 176.600 -0.071 0.000 1.029 1004 E CA -0.206 56.146 56.400 -0.079 0.000 0.872 1004 E CB 1.343 30.974 29.700 -0.115 0.000 1.015 1004 E HN 0.456 nan 8.360 nan 0.000 0.417 1005 L N 1.649 122.799 121.223 -0.121 0.000 2.515 1005 L HA 0.302 4.642 4.340 -0.000 0.000 0.223 1005 L C 0.898 177.723 176.870 -0.074 0.000 1.079 1005 L CA 0.211 55.012 54.840 -0.065 0.000 0.857 1005 L CB 0.400 42.435 42.059 -0.040 0.000 1.050 1005 L HN 0.745 nan 8.230 nan 0.000 0.476 1006 G N -0.328 108.399 108.800 -0.121 0.000 2.353 1006 G HA2 0.056 4.016 3.960 -0.000 0.000 0.308 1006 G HA3 0.056 4.016 3.960 -0.000 0.000 0.308 1006 G C -1.811 173.020 174.900 -0.114 0.000 1.418 1006 G CA -0.801 44.242 45.100 -0.095 0.000 0.966 1006 G HN -0.150 nan 8.290 nan 0.000 0.638 1007 Q N -0.177 119.572 119.800 -0.084 0.000 2.314 1007 Q HA 0.604 4.944 4.340 -0.000 0.000 0.258 1007 Q C 0.668 176.636 176.000 -0.054 0.000 0.954 1007 Q CA 0.992 56.749 55.803 -0.075 0.000 0.890 1007 Q CB 1.051 29.753 28.738 -0.060 0.000 1.210 1007 Q HN 1.190 nan 8.270 nan 0.000 0.410 1008 G N 1.008 109.787 108.800 -0.036 0.000 2.820 1008 G HA2 0.330 4.290 3.960 -0.000 0.000 0.291 1008 G HA3 0.330 4.290 3.960 -0.000 0.000 0.291 1008 G C 0.135 175.011 174.900 -0.039 0.000 1.323 1008 G CA -0.398 44.699 45.100 -0.004 0.000 1.055 1008 G HN 0.659 nan 8.290 nan 0.000 0.520 1009 S N -0.970 114.688 115.700 -0.070 0.000 2.382 1009 S HA -0.050 4.420 4.470 -0.000 0.000 0.228 1009 S C 1.346 175.666 174.600 -0.467 0.000 1.027 1009 S CA 1.442 59.447 58.200 -0.324 0.000 0.991 1009 S CB -0.274 62.622 63.200 -0.506 0.000 0.823 1009 S HN 0.430 nan 8.310 nan 0.000 0.469 1010 F N 0.251 120.236 119.950 0.058 0.000 2.682 1010 F HA 0.484 5.011 4.527 -0.000 0.000 0.308 1010 F C 1.099 176.852 175.800 -0.078 0.000 1.093 1010 F CA 0.116 58.119 58.000 0.005 0.000 1.244 1010 F CB 0.965 40.002 39.000 0.062 0.000 1.052 1010 F HN 0.254 nan 8.300 nan 0.000 0.573 1011 G N -0.006 108.842 108.800 0.079 0.000 2.324 1011 G HA2 0.299 4.259 3.960 -0.000 0.000 0.293 1011 G HA3 0.299 4.259 3.960 -0.000 0.000 0.293 1011 G C -1.701 173.195 174.900 -0.006 0.000 1.297 1011 G CA -1.189 43.923 45.100 0.020 0.000 0.853 1011 G HN -0.143 nan 8.290 nan 0.000 0.535 1012 M N 0.674 120.248 119.600 -0.043 0.000 2.239 1012 M HA 0.556 5.036 4.480 -0.000 0.000 0.348 1012 M C -0.053 176.076 176.300 -0.286 0.000 1.239 1012 M CA -0.198 54.977 55.300 -0.209 0.000 1.114 1012 M CB 0.959 33.370 32.600 -0.314 0.000 1.641 1012 M HN 0.457 nan 8.290 nan 0.000 0.453 1013 V N 6.781 126.493 119.914 -0.336 0.000 2.472 1013 V HA 0.423 4.543 4.120 -0.000 0.000 0.290 1013 V C -0.983 174.879 176.094 -0.386 0.000 1.037 1013 V CA -0.513 61.660 62.300 -0.212 0.000 0.908 1013 V CB 0.978 32.764 31.823 -0.062 0.000 0.985 1013 V HN 0.755 nan 8.190 nan 0.000 0.454 1014 Y N 1.493 121.810 120.300 0.029 0.000 2.485 1014 Y HA 0.478 5.028 4.550 -0.000 0.000 0.345 1014 Y C 0.329 176.240 175.900 0.017 0.000 0.998 1014 Y CA -0.843 57.268 58.100 0.019 0.000 1.059 1014 Y CB 1.560 40.030 38.460 0.017 0.000 1.234 1014 Y HN 0.675 nan 8.280 nan 0.000 0.461 1015 E N 1.013 121.312 120.200 0.166 0.000 2.343 1015 E HA 0.602 4.952 4.350 -0.000 0.000 0.269 1015 E C -0.241 176.418 176.600 0.098 0.000 1.047 1015 E CA -0.153 56.306 56.400 0.099 0.000 0.874 1015 E CB 0.824 30.561 29.700 0.062 0.000 1.033 1015 E HN 0.880 nan 8.360 nan 0.000 0.409 1016 G N 1.084 109.921 108.800 0.062 0.000 2.706 1016 G HA2 0.487 4.447 3.960 -0.000 0.000 0.307 1016 G HA3 0.487 4.447 3.960 -0.000 0.000 0.307 1016 G C -1.572 173.343 174.900 0.024 0.000 1.307 1016 G CA -0.508 44.617 45.100 0.042 0.000 0.790 1016 G HN 0.484 nan 8.290 nan 0.000 0.503 1017 V N -0.028 119.895 119.914 0.016 0.000 2.686 1017 V HA 0.791 4.911 4.120 -0.000 0.000 0.306 1017 V C -0.139 175.960 176.094 0.008 0.000 1.065 1017 V CA -0.312 61.994 62.300 0.009 0.000 0.894 1017 V CB 1.422 33.248 31.823 0.006 0.000 1.004 1017 V HN 1.486 nan 8.190 nan 0.000 0.424 1018 A N 4.496 127.320 122.820 0.007 0.000 2.371 1018 A HA 0.831 5.151 4.320 -0.000 0.000 0.311 1018 A C -0.662 176.924 177.584 0.004 0.000 1.068 1018 A CA -0.818 51.223 52.037 0.006 0.000 0.744 1018 A CB 1.362 20.367 19.000 0.008 0.000 1.239 1018 A HN 0.769 nan 8.150 nan 0.000 0.435 1019 K N 0.809 121.211 120.400 0.004 0.000 2.183 1019 K HA 0.553 4.872 4.320 -0.000 0.000 0.274 1019 K C 0.859 177.462 176.600 0.004 0.000 1.009 1019 K CA 0.163 56.452 56.287 0.003 0.000 0.888 1019 K CB 1.455 33.957 32.500 0.003 0.000 1.078 1019 K HN 1.562 nan 8.250 nan 0.000 0.459 1020 G N 0.976 109.778 108.800 0.003 0.000 2.179 1020 G HA2 -0.328 3.632 3.960 -0.000 0.000 0.260 1020 G HA3 -0.328 3.632 3.960 -0.000 0.000 0.260 1020 G C 0.822 175.724 174.900 0.003 0.000 0.977 1020 G CA 0.542 45.644 45.100 0.004 0.000 0.641 1020 G HN 0.510 nan 8.290 nan 0.000 0.533 1021 V N -2.171 117.743 119.914 0.000 0.000 2.379 1021 V HA 0.342 4.462 4.120 -0.000 0.000 0.245 1021 V C 1.482 177.569 176.094 -0.011 0.000 1.044 1021 V CA 1.378 63.676 62.300 -0.004 0.000 1.036 1021 V CB -0.408 31.410 31.823 -0.007 0.000 0.664 1021 V HN 0.530 nan 8.190 nan 0.000 0.453 1022 V N 1.529 121.437 119.914 -0.010 0.000 2.472 1022 V HA 0.313 4.433 4.120 -0.000 0.000 0.290 1022 V C 0.298 176.388 176.094 -0.007 0.000 1.037 1022 V CA -1.045 61.248 62.300 -0.012 0.000 0.908 1022 V CB 1.456 33.272 31.823 -0.013 0.000 0.985 1022 V HN 0.532 nan 8.190 nan 0.000 0.454 1023 K N 3.825 124.221 120.400 -0.007 0.000 2.472 1023 K HA -0.038 4.281 4.320 -0.000 0.000 0.280 1023 K C 0.202 176.800 176.600 -0.003 0.000 1.028 1023 K CA 0.364 56.649 56.287 -0.004 0.000 1.045 1023 K CB -0.018 32.480 32.500 -0.004 0.000 0.902 1023 K HN 0.800 nan 8.250 nan 0.000 0.478 1024 D N 2.433 122.832 120.400 -0.002 0.000 2.772 1024 D HA -0.188 4.452 4.640 -0.000 0.000 0.233 1024 D C -0.928 175.371 176.300 -0.002 0.000 1.143 1024 D CA 1.255 55.254 54.000 -0.001 0.000 0.700 1024 D CB -0.506 40.293 40.800 -0.002 0.000 1.076 1024 D HN 0.717 nan 8.370 nan 0.000 0.430 1025 E N -0.627 119.572 120.200 -0.002 0.000 2.302 1025 E HA 0.235 4.585 4.350 -0.000 0.000 0.263 1025 E C -2.017 174.582 176.600 -0.001 0.000 0.897 1025 E CA -1.661 54.737 56.400 -0.002 0.000 0.809 1025 E CB 1.786 31.485 29.700 -0.003 0.000 1.270 1025 E HN -0.208 nan 8.360 nan 0.000 0.410 1026 P HA -0.107 nan 4.420 nan 0.000 0.213 1026 P C -0.496 176.804 177.300 0.000 0.000 1.170 1026 P CA 1.078 64.179 63.100 0.000 0.000 0.893 1026 P CB 0.332 32.033 31.700 0.001 0.000 0.784 1027 E N -1.125 119.075 120.200 -0.000 0.000 2.191 1027 E HA 0.436 4.786 4.350 -0.000 0.000 0.274 1027 E C -0.716 175.883 176.600 -0.001 0.000 0.948 1027 E CA -0.412 55.988 56.400 0.000 0.000 0.802 1027 E CB 1.455 31.156 29.700 0.000 0.000 1.137 1027 E HN -0.110 nan 8.360 nan 0.000 0.397 1028 T N 2.174 116.727 114.554 -0.001 0.000 2.848 1028 T HA 0.344 4.694 4.350 -0.000 0.000 0.285 1028 T C -0.311 174.388 174.700 -0.001 0.000 0.995 1028 T CA -0.815 61.283 62.100 -0.003 0.000 0.970 1028 T CB 1.103 69.967 68.868 -0.006 0.000 0.976 1028 T HN 0.254 nan 8.240 nan 0.000 0.441 1029 R N 1.639 122.137 120.500 -0.003 0.000 2.491 1029 R HA 0.570 4.910 4.340 -0.000 0.000 0.283 1029 R C 0.021 176.321 176.300 0.000 0.000 1.072 1029 R CA -0.427 55.672 56.100 -0.000 0.000 1.048 1029 R CB 0.553 30.850 30.300 -0.004 0.000 0.983 1029 R HN 0.533 nan 8.270 nan 0.000 0.450 1030 V N -1.279 118.641 119.914 0.010 0.000 3.159 1030 V HA 0.855 4.975 4.120 -0.000 0.000 0.308 1030 V C -0.794 175.318 176.094 0.029 0.000 1.190 1030 V CA -1.298 61.011 62.300 0.014 0.000 1.037 1030 V CB 2.040 33.873 31.823 0.017 0.000 1.060 1030 V HN 0.799 nan 8.190 nan 0.000 0.437 1031 A N 3.045 125.884 122.820 0.032 0.000 2.292 1031 A HA 0.869 5.189 4.320 -0.000 0.000 0.319 1031 A C -0.480 177.150 177.584 0.078 0.000 1.206 1031 A CA -0.646 51.422 52.037 0.053 0.000 0.835 1031 A CB 0.530 19.552 19.000 0.038 0.000 1.164 1031 A HN 0.837 nan 8.150 nan 0.000 0.505 1032 I N 2.595 123.238 120.570 0.121 0.000 2.382 1032 I HA 0.274 4.444 4.170 -0.000 0.000 0.285 1032 I C -0.122 176.118 176.117 0.205 0.000 1.007 1032 I CA -0.321 61.071 61.300 0.153 0.000 1.142 1032 I CB 1.236 39.330 38.000 0.157 0.000 1.289 1032 I HN 0.671 nan 8.210 nan 0.000 0.453 1033 K N 4.371 124.898 120.400 0.212 0.000 2.172 1033 K HA 0.521 4.840 4.320 -0.000 0.000 0.276 1033 K C 0.228 176.987 176.600 0.265 0.000 1.013 1033 K CA -0.389 56.059 56.287 0.269 0.000 0.913 1033 K CB 1.705 34.428 32.500 0.372 0.000 1.055 1033 K HN 0.710 nan 8.250 nan 0.000 0.461 1034 T N -1.802 112.836 114.554 0.140 0.000 2.893 1034 T HA 0.536 4.886 4.350 -0.000 0.000 0.291 1034 T C -0.608 173.916 174.700 -0.294 0.000 1.028 1034 T CA -0.830 61.261 62.100 -0.016 0.000 0.995 1034 T CB 1.403 70.334 68.868 0.105 0.000 1.051 1034 T HN 0.159 nan 8.240 nan 0.000 0.470 1035 V N 3.357 123.001 119.914 -0.449 0.000 2.483 1035 V HA 0.435 4.555 4.120 -0.000 0.000 0.297 1035 V C -0.290 175.680 176.094 -0.207 0.000 1.027 1035 V CA -1.094 60.946 62.300 -0.434 0.000 0.855 1035 V CB 1.662 33.038 31.823 -0.744 0.000 0.995 1035 V HN 0.913 nan 8.190 nan 0.000 0.424 1036 N N 2.592 121.222 118.700 -0.116 0.000 2.444 1036 N HA 0.078 4.817 4.740 -0.000 0.000 0.255 1036 N C 1.251 176.727 175.510 -0.057 0.000 1.255 1036 N CA -0.068 52.944 53.050 -0.063 0.000 0.933 1036 N CB 1.002 39.470 38.487 -0.031 0.000 1.143 1036 N HN 0.836 nan 8.380 nan 0.000 0.453 1037 E N 1.012 121.189 120.200 -0.038 0.000 2.171 1037 E HA -0.218 4.132 4.350 -0.000 0.000 0.197 1037 E C 1.003 177.591 176.600 -0.020 0.000 0.997 1037 E CA 1.270 57.654 56.400 -0.027 0.000 0.810 1037 E CB 0.071 29.761 29.700 -0.016 0.000 0.738 1037 E HN 0.651 nan 8.360 nan 0.000 0.467 1038 A N 0.540 123.350 122.820 -0.018 0.000 2.208 1038 A HA 0.359 4.679 4.320 -0.000 0.000 0.209 1038 A C 1.082 178.659 177.584 -0.011 0.000 1.161 1038 A CA 0.534 52.565 52.037 -0.010 0.000 0.782 1038 A CB -0.147 18.850 19.000 -0.006 0.000 0.816 1038 A HN 0.325 nan 8.150 nan 0.000 0.477 1039 A N 0.910 123.717 122.820 -0.022 0.000 2.483 1039 A HA 0.461 4.781 4.320 -0.000 0.000 0.238 1039 A C 0.991 178.569 177.584 -0.011 0.000 1.070 1039 A CA 0.334 52.360 52.037 -0.019 0.000 0.770 1039 A CB -0.192 18.784 19.000 -0.040 0.000 1.008 1039 A HN 1.139 nan 8.150 nan 0.000 0.497 1040 S N 2.484 118.184 115.700 0.002 0.000 2.573 1040 S HA 0.112 4.582 4.470 -0.000 0.000 0.277 1040 S C 1.132 175.729 174.600 -0.005 0.000 1.346 1040 S CA 0.367 58.570 58.200 0.005 0.000 1.034 1040 S CB 0.246 63.455 63.200 0.015 0.000 0.879 1040 S HN 0.874 nan 8.310 nan 0.000 0.528 1041 M N 1.097 120.694 119.600 -0.005 0.000 2.149 1041 M HA -0.131 4.349 4.480 -0.000 0.000 0.261 1041 M C 2.233 178.508 176.300 -0.042 0.000 1.064 1041 M CA 1.859 57.147 55.300 -0.021 0.000 1.102 1041 M CB -0.273 32.327 32.600 -0.000 0.000 1.369 1041 M HN 0.834 nan 8.290 nan 0.000 0.408 1042 R N 0.838 121.329 120.500 -0.016 0.000 2.105 1042 R HA -0.132 4.208 4.340 -0.000 0.000 0.239 1042 R C 1.737 178.039 176.300 0.004 0.000 1.135 1042 R CA 1.913 58.006 56.100 -0.013 0.000 0.967 1042 R CB -0.539 29.770 30.300 0.015 0.000 0.861 1042 R HN 0.467 nan 8.270 nan 0.000 0.442 1043 E N -0.223 120.000 120.200 0.038 0.000 2.158 1043 E HA -0.089 4.261 4.350 -0.000 0.000 0.191 1043 E C 1.951 178.565 176.600 0.023 0.000 0.982 1043 E CA 0.532 57.004 56.400 0.120 0.000 0.823 1043 E CB -0.195 29.606 29.700 0.168 0.000 0.766 1043 E HN 0.346 nan 8.360 nan 0.000 0.468 1044 R N 0.672 121.141 120.500 -0.051 0.000 2.081 1044 R HA -0.057 4.283 4.340 -0.000 0.000 0.235 1044 R C 2.434 178.662 176.300 -0.120 0.000 1.131 1044 R CA 0.944 56.991 56.100 -0.088 0.000 0.960 1044 R CB -0.193 30.054 30.300 -0.088 0.000 0.856 1044 R HN 0.090 nan 8.270 nan 0.000 0.436 1045 I N 0.496 120.931 120.570 -0.225 0.000 2.163 1045 I HA -0.263 3.907 4.170 -0.000 0.000 0.243 1045 I C 2.355 178.327 176.117 -0.242 0.000 1.085 1045 I CA 1.476 62.530 61.300 -0.410 0.000 1.347 1045 I CB -0.258 37.416 38.000 -0.543 0.000 1.044 1045 I HN 0.249 nan 8.210 nan 0.000 0.408 1046 E N 0.906 121.032 120.200 -0.123 0.000 2.110 1046 E HA -0.274 4.076 4.350 -0.000 0.000 0.193 1046 E C 1.997 178.436 176.600 -0.268 0.000 0.988 1046 E CA 1.392 57.768 56.400 -0.040 0.000 0.804 1046 E CB -0.313 29.512 29.700 0.209 0.000 0.745 1046 E HN 0.420 nan 8.360 nan 0.000 0.458 1047 F N 0.345 119.827 119.950 -0.780 0.000 2.102 1047 F HA -0.084 4.443 4.527 -0.000 0.000 0.298 1047 F C 1.674 177.191 175.800 -0.470 0.000 1.105 1047 F CA 1.456 58.788 58.000 -1.113 0.000 1.239 1047 F CB -0.139 38.286 39.000 -0.958 0.000 0.991 1047 F HN 0.038 nan 8.300 nan 0.000 0.474 1048 L N -0.117 120.941 121.223 -0.275 0.000 2.131 1048 L HA -0.156 4.184 4.340 -0.000 0.000 0.206 1048 L C 2.214 179.007 176.870 -0.128 0.000 1.087 1048 L CA 0.761 55.481 54.840 -0.201 0.000 0.767 1048 L CB -0.870 41.167 42.059 -0.036 0.000 0.917 1048 L HN 0.104 nan 8.230 nan 0.000 0.441 1049 N N 0.371 119.008 118.700 -0.105 0.000 2.084 1049 N HA -0.237 4.502 4.740 -0.000 0.000 0.190 1049 N C 1.772 177.239 175.510 -0.072 0.000 1.030 1049 N CA 1.337 54.369 53.050 -0.030 0.000 0.849 1049 N CB -0.178 38.308 38.487 -0.002 0.000 1.012 1049 N HN 0.373 nan 8.380 nan 0.000 0.423 1050 E N 0.359 120.486 120.200 -0.121 0.000 2.209 1050 E HA -0.126 4.224 4.350 -0.000 0.000 0.196 1050 E C 1.610 178.095 176.600 -0.192 0.000 0.993 1050 E CA 0.986 57.321 56.400 -0.109 0.000 0.819 1050 E CB 0.030 29.704 29.700 -0.042 0.000 0.745 1050 E HN 0.362 nan 8.360 nan 0.000 0.477 1051 A N 0.136 122.793 122.820 -0.271 0.000 1.872 1051 A HA -0.080 4.240 4.320 -0.000 0.000 0.214 1051 A C 2.354 179.809 177.584 -0.216 0.000 1.187 1051 A CA 1.337 53.204 52.037 -0.284 0.000 0.614 1051 A CB -0.475 18.333 19.000 -0.320 0.000 0.826 1051 A HN 0.247 nan 8.150 nan 0.000 0.442 1052 S N -0.349 115.331 115.700 -0.034 0.000 2.383 1052 S HA -0.140 4.330 4.470 -0.000 0.000 0.229 1052 S C 1.874 176.388 174.600 -0.144 0.000 1.030 1052 S CA 1.500 59.767 58.200 0.111 0.000 1.002 1052 S CB -0.375 62.953 63.200 0.214 0.000 0.829 1052 S HN 0.332 nan 8.310 nan 0.000 0.467 1053 V N 1.434 121.208 119.914 -0.234 0.000 2.358 1053 V HA -0.149 3.971 4.120 -0.000 0.000 0.246 1053 V C 2.242 177.784 176.094 -0.920 0.000 1.047 1053 V CA 1.966 63.999 62.300 -0.444 0.000 1.035 1053 V CB -0.519 31.114 31.823 -0.317 0.000 0.658 1053 V HN 0.504 nan 8.190 nan 0.000 0.452 1054 M N 0.547 119.735 119.600 -0.686 0.000 2.175 1054 M HA -0.137 4.343 4.480 -0.000 0.000 0.264 1054 M C 2.031 177.882 176.300 -0.748 0.000 1.063 1054 M CA 1.944 56.806 55.300 -0.731 0.000 1.119 1054 M CB -0.434 31.961 32.600 -0.340 0.000 1.377 1054 M HN 0.127 nan 8.290 nan 0.000 0.415 1055 K N 0.725 120.713 120.400 -0.687 0.000 2.218 1055 K HA -0.211 4.109 4.320 -0.000 0.000 0.205 1055 K C 1.932 178.179 176.600 -0.588 0.000 1.046 1055 K CA 1.825 57.661 56.287 -0.751 0.000 0.933 1055 K CB -0.488 31.241 32.500 -1.285 0.000 0.728 1055 K HN 0.608 nan 8.250 nan 0.000 0.454 1056 E N -0.476 119.341 120.200 -0.638 0.000 2.208 1056 E HA -0.097 4.253 4.350 -0.000 0.000 0.193 1056 E C -0.526 175.948 176.600 -0.210 0.000 0.988 1056 E CA 0.278 56.426 56.400 -0.420 0.000 0.828 1056 E CB 0.080 29.530 29.700 -0.416 0.000 0.763 1056 E HN 0.164 nan 8.360 nan 0.000 0.478 1057 F N 2.035 121.881 119.950 -0.173 0.000 2.439 1057 F HA 0.191 4.718 4.527 -0.000 0.000 0.356 1057 F C 0.378 176.105 175.800 -0.122 0.000 1.161 1057 F CA -0.834 57.129 58.000 -0.062 0.000 1.151 1057 F CB -0.167 38.683 39.000 -0.249 0.000 1.222 1057 F HN -0.169 nan 8.300 nan 0.000 0.558 1058 N N 3.418 122.183 118.700 0.108 0.000 2.707 1058 N HA 0.345 5.085 4.740 -0.000 0.000 0.235 1058 N C -1.561 173.731 175.510 -0.362 0.000 1.028 1058 N CA -0.115 52.882 53.050 -0.089 0.000 0.906 1058 N CB 0.728 39.209 38.487 -0.010 0.000 1.131 1058 N HN 0.609 nan 8.380 nan 0.000 0.509 1059 C N 3.245 122.277 119.300 -0.447 0.000 2.880 1059 C HA 0.353 4.813 4.460 -0.000 0.000 0.320 1059 C C 1.563 176.417 174.990 -0.227 0.000 1.176 1059 C CA -0.650 58.067 59.018 -0.501 0.000 1.390 1059 C CB 0.413 27.537 27.740 -1.026 0.000 1.846 1059 C HN 0.954 nan 8.230 nan 0.000 0.478 1060 H N 1.238 120.159 119.070 -0.248 0.000 2.489 1060 H HA -0.022 4.534 4.556 -0.000 0.000 0.293 1060 H C 0.978 176.077 175.328 -0.382 0.000 1.066 1060 H CA 2.299 58.160 56.048 -0.311 0.000 1.305 1060 H CB 0.018 29.547 29.762 -0.388 0.000 1.386 1060 H HN 0.843 nan 8.280 nan 0.000 0.551 1061 H N -1.301 117.731 119.070 -0.063 0.000 2.487 1061 H HA 0.353 4.909 4.556 -0.000 0.000 0.290 1061 H C -0.740 174.558 175.328 -0.050 0.000 1.081 1061 H CA -0.118 55.899 56.048 -0.052 0.000 1.116 1061 H CB 0.653 30.452 29.762 0.062 0.000 1.560 1061 H HN 0.012 nan 8.280 nan 0.000 0.548 1062 V N 1.549 121.452 119.914 -0.018 0.000 2.483 1062 V HA 0.114 4.234 4.120 -0.000 0.000 0.297 1062 V C -0.005 176.116 176.094 0.046 0.000 1.027 1062 V CA -1.110 61.236 62.300 0.077 0.000 0.855 1062 V CB 2.160 34.020 31.823 0.061 0.000 0.995 1062 V HN 0.022 nan 8.190 nan 0.000 0.424 1063 V N 5.508 125.485 119.914 0.106 0.000 2.539 1063 V HA 0.015 4.135 4.120 -0.000 0.000 0.300 1063 V C 0.791 176.926 176.094 0.067 0.000 1.019 1063 V CA 0.453 62.788 62.300 0.060 0.000 1.160 1063 V CB -0.101 31.767 31.823 0.075 0.000 0.901 1063 V HN 0.834 nan 8.190 nan 0.000 0.481 1064 R N 3.992 124.485 120.500 -0.012 0.000 2.410 1064 R HA 0.493 4.833 4.340 -0.000 0.000 0.288 1064 R C -0.621 175.643 176.300 -0.060 0.000 1.051 1064 R CA -0.872 55.200 56.100 -0.047 0.000 1.021 1064 R CB 0.991 31.247 30.300 -0.074 0.000 1.032 1064 R HN 0.570 nan 8.270 nan 0.000 0.481 1065 L N 6.011 127.165 121.223 -0.115 0.000 2.264 1065 L HA 0.244 4.584 4.340 -0.000 0.000 0.289 1065 L C -0.276 176.489 176.870 -0.175 0.000 1.044 1065 L CA 0.237 54.985 54.840 -0.154 0.000 0.807 1065 L CB 1.144 43.057 42.059 -0.243 0.000 1.192 1065 L HN 0.843 nan 8.230 nan 0.000 0.425 1066 L N 4.583 125.733 121.223 -0.122 0.000 2.357 1066 L HA 0.515 4.855 4.340 -0.000 0.000 0.211 1066 L C 1.066 177.879 176.870 -0.095 0.000 1.075 1066 L CA 0.544 55.325 54.840 -0.099 0.000 0.830 1066 L CB -0.066 41.960 42.059 -0.054 0.000 0.996 1066 L HN 0.831 nan 8.230 nan 0.000 0.467 1067 G N -0.960 107.793 108.800 -0.079 0.000 2.430 1067 G HA2 0.431 4.391 3.960 -0.000 0.000 0.300 1067 G HA3 0.431 4.391 3.960 -0.000 0.000 0.300 1067 G C -2.192 172.719 174.900 0.019 0.000 1.330 1067 G CA -0.202 44.885 45.100 -0.021 0.000 0.813 1067 G HN -0.274 nan 8.290 nan 0.000 0.487 1068 V N -0.550 119.417 119.914 0.089 0.000 2.851 1068 V HA 0.666 4.786 4.120 -0.000 0.000 0.307 1068 V C -1.165 174.984 176.094 0.092 0.000 1.129 1068 V CA -0.642 61.719 62.300 0.102 0.000 0.932 1068 V CB 1.959 33.874 31.823 0.154 0.000 1.024 1068 V HN 0.913 nan 8.190 nan 0.000 0.426 1069 V N 6.551 126.513 119.914 0.081 0.000 2.318 1069 V HA 0.374 4.493 4.120 -0.000 0.000 0.271 1069 V C 1.071 177.196 176.094 0.052 0.000 1.030 1069 V CA 0.634 62.968 62.300 0.057 0.000 0.844 1069 V CB 0.923 32.772 31.823 0.044 0.000 1.015 1069 V HN 1.084 nan 8.190 nan 0.000 0.460 1070 S N 3.011 118.729 115.700 0.030 0.000 2.497 1070 S HA 0.154 4.624 4.470 -0.000 0.000 0.218 1070 S C 0.697 175.284 174.600 -0.020 0.000 1.023 1070 S CA -0.275 57.929 58.200 0.006 0.000 0.913 1070 S CB 0.237 63.428 63.200 -0.015 0.000 0.800 1070 S HN 0.594 nan 8.310 nan 0.000 0.505 1071 Q N 2.192 121.985 119.800 -0.013 0.000 2.295 1071 Q HA 0.583 4.923 4.340 -0.000 0.000 0.259 1071 Q C 0.856 176.850 176.000 -0.011 0.000 0.976 1071 Q CA 0.894 56.686 55.803 -0.017 0.000 0.923 1071 Q CB 0.456 29.189 28.738 -0.009 0.000 1.185 1071 Q HN 0.621 nan 8.270 nan 0.000 0.410 1072 G N 2.237 111.028 108.800 -0.014 0.000 2.741 1072 G HA2 -0.293 3.667 3.960 -0.000 0.000 0.222 1072 G HA3 -0.293 3.667 3.960 -0.000 0.000 0.222 1072 G C 0.130 175.022 174.900 -0.014 0.000 1.364 1072 G CA -0.047 45.047 45.100 -0.010 0.000 0.866 1072 G HN 0.656 nan 8.290 nan 0.000 0.555 1073 Q N -0.702 119.089 119.800 -0.014 0.000 2.543 1073 Q HA -0.263 4.077 4.340 -0.000 0.000 0.473 1073 Q C -1.560 174.424 176.000 -0.026 0.000 0.594 1073 Q CA 2.175 57.966 55.803 -0.020 0.000 0.955 1073 Q CB -1.784 26.939 28.738 -0.025 0.000 2.600 1073 Q HN 0.755 nan 8.270 nan 0.000 1.052 1074 P HA 0.175 nan 4.420 nan 0.000 0.290 1074 P C -1.157 176.125 177.300 -0.030 0.000 1.275 1074 P CA -0.152 62.924 63.100 -0.040 0.000 0.841 1074 P CB 1.032 32.707 31.700 -0.043 0.000 1.042 1075 T N 2.796 117.322 114.554 -0.046 0.000 2.853 1075 T HA 0.228 4.578 4.350 -0.000 0.000 0.298 1075 T C 0.358 175.098 174.700 0.066 0.000 0.978 1075 T CA 0.217 62.324 62.100 0.011 0.000 1.152 1075 T CB -0.305 68.575 68.868 0.020 0.000 0.914 1075 T HN 0.184 nan 8.240 nan 0.000 0.539 1076 L N 3.423 124.725 121.223 0.132 0.000 2.329 1076 L HA 0.629 4.969 4.340 -0.000 0.000 0.279 1076 L C -0.409 176.598 176.870 0.228 0.000 1.014 1076 L CA -1.153 53.788 54.840 0.168 0.000 0.814 1076 L CB 1.803 43.918 42.059 0.094 0.000 1.257 1076 L HN 0.319 nan 8.230 nan 0.000 0.424 1077 V N 4.219 124.300 119.914 0.279 0.000 2.409 1077 V HA 0.378 4.498 4.120 -0.000 0.000 0.291 1077 V C -0.122 176.028 176.094 0.093 0.000 1.020 1077 V CA -0.404 61.974 62.300 0.131 0.000 0.848 1077 V CB 1.924 33.747 31.823 -0.000 0.000 0.990 1077 V HN 0.443 nan 8.190 nan 0.000 0.430 1078 I N 6.790 127.385 120.570 0.042 0.000 2.325 1078 I HA 0.419 4.589 4.170 -0.000 0.000 0.291 1078 I C 0.216 176.333 176.117 -0.001 0.000 1.019 1078 I CA 0.377 61.695 61.300 0.030 0.000 1.302 1078 I CB 0.969 38.981 38.000 0.020 0.000 1.401 1078 I HN 0.385 nan 8.210 nan 0.000 0.485 1079 M N 4.382 123.990 119.600 0.012 0.000 2.664 1079 M HA 0.372 4.852 4.480 -0.000 0.000 0.314 1079 M C 0.038 176.335 176.300 -0.006 0.000 1.200 1079 M CA -0.778 54.520 55.300 -0.002 0.000 0.916 1079 M CB 1.585 34.195 32.600 0.018 0.000 1.717 1079 M HN 0.545 nan 8.290 nan 0.000 0.470 1080 E N 1.564 121.752 120.200 -0.019 0.000 2.502 1080 E HA 0.065 4.415 4.350 -0.000 0.000 0.261 1080 E C -1.385 175.203 176.600 -0.020 0.000 0.974 1080 E CA -0.226 56.158 56.400 -0.027 0.000 0.936 1080 E CB 0.717 30.391 29.700 -0.044 0.000 0.926 1080 E HN 0.479 nan 8.360 nan 0.000 0.459 1081 L N 5.556 126.765 121.223 -0.023 0.000 2.265 1081 L HA 0.234 4.574 4.340 -0.000 0.000 0.288 1081 L C -0.703 176.143 176.870 -0.041 0.000 1.058 1081 L CA -0.125 54.702 54.840 -0.022 0.000 0.809 1081 L CB 1.124 43.174 42.059 -0.014 0.000 1.179 1081 L HN 0.576 nan 8.230 nan 0.000 0.429 1082 M N 4.894 124.468 119.600 -0.043 0.000 2.055 1082 M HA 0.206 4.686 4.480 -0.000 0.000 0.346 1082 M C 1.229 177.489 176.300 -0.066 0.000 1.074 1082 M CA -0.232 55.029 55.300 -0.065 0.000 1.009 1082 M CB 0.563 33.124 32.600 -0.064 0.000 1.423 1082 M HN 0.762 nan 8.290 nan 0.000 0.410 1083 T N -0.399 114.106 114.554 -0.082 0.000 3.035 1083 T HA -0.001 4.349 4.350 -0.000 0.000 0.268 1083 T C 1.342 175.998 174.700 -0.074 0.000 1.109 1083 T CA 0.917 62.974 62.100 -0.071 0.000 1.119 1083 T CB 0.036 68.857 68.868 -0.079 0.000 0.900 1083 T HN 0.651 nan 8.240 nan 0.000 0.503 1084 R N 0.797 121.234 120.500 -0.106 0.000 2.393 1084 R HA 0.446 4.786 4.340 -0.000 0.000 0.244 1084 R C 1.423 177.715 176.300 -0.013 0.000 0.920 1084 R CA 0.202 56.257 56.100 -0.074 0.000 1.076 1084 R CB 0.177 30.367 30.300 -0.183 0.000 1.119 1084 R HN 0.574 nan 8.270 nan 0.000 0.524 1085 G N 2.207 110.991 108.800 -0.027 0.000 2.693 1085 G HA2 -0.276 3.684 3.960 -0.000 0.000 0.226 1085 G HA3 -0.276 3.684 3.960 -0.000 0.000 0.226 1085 G C -0.755 174.144 174.900 -0.001 0.000 1.354 1085 G CA -0.257 44.842 45.100 -0.003 0.000 0.873 1085 G HN 0.451 nan 8.290 nan 0.000 0.562 1086 D N 0.015 120.423 120.400 0.013 0.000 2.399 1086 D HA 0.218 4.858 4.640 -0.000 0.000 0.241 1086 D C 1.678 178.011 176.300 0.055 0.000 1.133 1086 D CA -0.019 53.989 54.000 0.013 0.000 0.890 1086 D CB 1.412 42.214 40.800 0.004 0.000 1.201 1086 D HN 0.711 nan 8.370 nan 0.000 0.432 1087 L N 2.159 123.409 121.223 0.045 0.000 2.083 1087 L HA -0.151 4.189 4.340 -0.000 0.000 0.209 1087 L C 2.439 179.405 176.870 0.160 0.000 1.083 1087 L CA 1.831 56.730 54.840 0.097 0.000 0.752 1087 L CB -0.882 41.212 42.059 0.059 0.000 0.899 1087 L HN 0.663 nan 8.230 nan 0.000 0.433 1088 K N -1.007 119.459 120.400 0.109 0.000 2.026 1088 K HA -0.151 4.169 4.320 -0.000 0.000 0.208 1088 K C 2.014 178.678 176.600 0.107 0.000 1.048 1088 K CA 1.776 58.131 56.287 0.114 0.000 0.929 1088 K CB -0.199 32.358 32.500 0.096 0.000 0.713 1088 K HN 0.378 nan 8.250 nan 0.000 0.439 1089 S N 0.038 115.797 115.700 0.097 0.000 2.368 1089 S HA -0.174 4.296 4.470 -0.000 0.000 0.225 1089 S C 1.624 176.285 174.600 0.101 0.000 1.030 1089 S CA 1.294 59.543 58.200 0.081 0.000 0.999 1089 S CB -0.541 62.699 63.200 0.067 0.000 0.844 1089 S HN 0.494 nan 8.310 nan 0.000 0.459 1090 Y N 2.336 122.655 120.300 0.030 0.000 2.165 1090 Y HA -0.141 4.409 4.550 -0.000 0.000 0.286 1090 Y C 1.833 177.760 175.900 0.044 0.000 1.155 1090 Y CA 1.370 59.496 58.100 0.045 0.000 1.164 1090 Y CB -0.431 38.065 38.460 0.061 0.000 0.978 1090 Y HN 0.140 nan 8.280 nan 0.000 0.513 1091 L N -0.187 121.078 121.223 0.070 0.000 2.083 1091 L HA -0.212 4.128 4.340 -0.000 0.000 0.209 1091 L C 2.694 179.505 176.870 -0.097 0.000 1.083 1091 L CA 1.133 55.949 54.840 -0.039 0.000 0.752 1091 L CB -0.550 41.550 42.059 0.068 0.000 0.899 1091 L HN 0.133 nan 8.230 nan 0.000 0.433 1092 R N 0.159 120.634 120.500 -0.041 0.000 2.096 1092 R HA -0.129 4.210 4.340 -0.000 0.000 0.235 1092 R C 2.533 178.786 176.300 -0.078 0.000 1.127 1092 R CA 1.721 57.797 56.100 -0.041 0.000 0.968 1092 R CB -0.738 29.561 30.300 -0.002 0.000 0.861 1092 R HN 0.518 nan 8.270 nan 0.000 0.440 1093 S N 0.546 116.178 115.700 -0.113 0.000 2.474 1093 S HA -0.027 4.443 4.470 -0.000 0.000 0.235 1093 S C 2.037 176.539 174.600 -0.163 0.000 0.997 1093 S CA 0.638 58.764 58.200 -0.123 0.000 0.949 1093 S CB -0.325 62.806 63.200 -0.115 0.000 0.766 1093 S HN 0.242 nan 8.310 nan 0.000 0.517 1094 L N 0.395 121.482 121.223 -0.228 0.000 2.395 1094 L HA 0.142 4.482 4.340 -0.000 0.000 0.218 1094 L C 1.495 178.290 176.870 -0.125 0.000 1.130 1094 L CA 0.183 54.900 54.840 -0.205 0.000 0.826 1094 L CB -0.305 41.602 42.059 -0.253 0.000 0.941 1094 L HN 0.193 nan 8.230 nan 0.000 0.451 1095 R N 1.034 121.472 120.500 -0.103 0.000 2.784 1095 R HA 0.121 4.461 4.340 -0.000 0.000 0.266 1095 R C -1.668 174.594 176.300 -0.062 0.000 1.044 1095 R CA -1.226 54.828 56.100 -0.076 0.000 1.151 1095 R CB -0.418 29.845 30.300 -0.062 0.000 1.037 1095 R HN 0.006 nan 8.270 nan 0.000 0.478 1108 S N -0.190 115.482 115.700 -0.047 0.000 2.589 1108 S HA 0.148 4.618 4.470 -0.000 0.000 0.265 1108 S C 1.071 175.648 174.600 -0.039 0.000 1.342 1108 S CA -0.412 57.762 58.200 -0.043 0.000 1.005 1108 S CB 0.427 63.601 63.200 -0.042 0.000 0.909 1108 S HN 0.520 nan 8.310 nan 0.000 0.555 1109 L N 2.121 123.322 121.223 -0.037 0.000 2.042 1109 L HA -0.073 4.267 4.340 -0.000 0.000 0.210 1109 L C 2.564 179.414 176.870 -0.033 0.000 1.076 1109 L CA 2.073 56.892 54.840 -0.034 0.000 0.749 1109 L CB -1.521 40.521 42.059 -0.030 0.000 0.893 1109 L HN 0.892 nan 8.230 nan 0.000 0.432 1110 S N -0.556 115.124 115.700 -0.033 0.000 2.359 1110 S HA -0.187 4.282 4.470 -0.000 0.000 0.224 1110 S C 1.922 176.503 174.600 -0.031 0.000 1.035 1110 S CA 1.241 59.422 58.200 -0.032 0.000 1.018 1110 S CB -0.296 62.886 63.200 -0.030 0.000 0.876 1110 S HN 0.392 nan 8.310 nan 0.000 0.448 1111 K N 1.199 121.580 120.400 -0.033 0.000 2.009 1111 K HA -0.013 4.307 4.320 -0.000 0.000 0.210 1111 K C 2.118 178.710 176.600 -0.013 0.000 1.049 1111 K CA 1.390 57.660 56.287 -0.028 0.000 0.929 1111 K CB -0.607 31.872 32.500 -0.035 0.000 0.714 1111 K HN 0.437 nan 8.250 nan 0.000 0.440 1112 M N 0.323 119.911 119.600 -0.019 0.000 2.175 1112 M HA -0.109 4.371 4.480 -0.000 0.000 0.264 1112 M C 2.045 178.332 176.300 -0.023 0.000 1.063 1112 M CA 1.014 56.302 55.300 -0.020 0.000 1.119 1112 M CB -0.237 32.343 32.600 -0.034 0.000 1.377 1112 M HN -0.015 nan 8.290 nan 0.000 0.415 1113 I N 0.339 120.891 120.570 -0.030 0.000 2.286 1113 I HA -0.243 3.927 4.170 -0.000 0.000 0.248 1113 I C 2.485 178.574 176.117 -0.047 0.000 1.115 1113 I CA 1.550 62.826 61.300 -0.039 0.000 1.392 1113 I CB -1.272 36.697 38.000 -0.052 0.000 1.065 1113 I HN 0.344 nan 8.210 nan 0.000 0.418 1114 Q N 0.973 120.753 119.800 -0.034 0.000 2.050 1114 Q HA -0.161 4.178 4.340 -0.000 0.000 0.202 1114 Q C 2.289 178.298 176.000 0.014 0.000 0.980 1114 Q CA 1.847 57.638 55.803 -0.020 0.000 0.840 1114 Q CB -0.250 28.496 28.738 0.014 0.000 0.898 1114 Q HN 0.424 nan 8.270 nan 0.000 0.424 1115 M N -0.708 118.909 119.600 0.027 0.000 2.086 1115 M HA -0.168 4.312 4.480 -0.000 0.000 0.261 1115 M C 2.174 178.506 176.300 0.052 0.000 1.067 1115 M CA 1.658 56.985 55.300 0.044 0.000 1.116 1115 M CB -0.489 32.133 32.600 0.035 0.000 1.348 1115 M HN 0.325 nan 8.290 nan 0.000 0.407 1116 A N 0.554 123.397 122.820 0.039 0.000 1.883 1116 A HA -0.101 4.219 4.320 -0.000 0.000 0.217 1116 A C 2.358 180.069 177.584 0.212 0.000 1.186 1116 A CA 2.066 54.175 52.037 0.120 0.000 0.624 1116 A CB -1.630 17.418 19.000 0.079 0.000 0.822 1116 A HN 0.570 nan 8.150 nan 0.000 0.444 1117 G N -0.711 108.111 108.800 0.036 0.000 2.422 1117 G HA2 -0.172 3.788 3.960 -0.000 0.000 0.218 1117 G HA3 -0.172 3.788 3.960 -0.000 0.000 0.218 1117 G C 1.433 176.307 174.900 -0.044 0.000 1.146 1117 G CA 1.007 46.057 45.100 -0.082 0.000 0.769 1117 G HN 0.667 nan 8.290 nan 0.000 0.547 1118 E N 0.030 120.207 120.200 -0.037 0.000 2.072 1118 E HA -0.014 4.336 4.350 -0.000 0.000 0.190 1118 E C 2.494 179.031 176.600 -0.105 0.000 0.982 1118 E CA 0.514 56.792 56.400 -0.203 0.000 0.803 1118 E CB -0.124 29.621 29.700 0.076 0.000 0.755 1118 E HN 0.464 nan 8.360 nan 0.000 0.453 1119 I N 1.288 121.901 120.570 0.072 0.000 2.226 1119 I HA -0.280 3.889 4.170 -0.000 0.000 0.245 1119 I C 2.553 178.721 176.117 0.085 0.000 1.100 1119 I CA 1.010 62.390 61.300 0.134 0.000 1.374 1119 I CB -0.340 37.816 38.000 0.260 0.000 1.057 1119 I HN 0.091 nan 8.210 nan 0.000 0.413 1120 A N 0.394 123.301 122.820 0.145 0.000 1.902 1120 A HA -0.297 4.023 4.320 -0.000 0.000 0.217 1120 A C 1.993 179.528 177.584 -0.082 0.000 1.181 1120 A CA 2.323 54.317 52.037 -0.071 0.000 0.623 1120 A CB -0.750 18.234 19.000 -0.027 0.000 0.818 1120 A HN 0.460 nan 8.150 nan 0.000 0.443 1121 D N -0.835 119.579 120.400 0.023 0.000 2.117 1121 D HA -0.038 4.602 4.640 -0.000 0.000 0.197 1121 D C 1.995 178.357 176.300 0.102 0.000 0.987 1121 D CA 1.665 55.752 54.000 0.145 0.000 0.829 1121 D CB -0.400 40.487 40.800 0.144 0.000 0.961 1121 D HN 0.300 nan 8.370 nan 0.000 0.460 1122 G N 0.190 109.005 108.800 0.025 0.000 2.446 1122 G HA2 -0.254 3.706 3.960 -0.000 0.000 0.217 1122 G HA3 -0.254 3.706 3.960 -0.000 0.000 0.217 1122 G C 1.521 176.360 174.900 -0.101 0.000 1.168 1122 G CA 0.966 46.086 45.100 0.033 0.000 0.771 1122 G HN 0.181 nan 8.290 nan 0.000 0.551 1123 M N 1.171 120.566 119.600 -0.342 0.000 2.159 1123 M HA 0.070 4.550 4.480 -0.000 0.000 0.263 1123 M C 3.014 179.012 176.300 -0.503 0.000 1.063 1123 M CA 1.155 56.045 55.300 -0.683 0.000 1.110 1123 M CB -1.337 30.176 32.600 -1.812 0.000 1.374 1123 M HN 0.322 nan 8.290 nan 0.000 0.411 1124 A N -0.666 121.982 122.820 -0.286 0.000 1.908 1124 A HA -0.234 4.086 4.320 -0.000 0.000 0.218 1124 A C 2.170 179.592 177.584 -0.270 0.000 1.181 1124 A CA 1.596 53.631 52.037 -0.005 0.000 0.627 1124 A CB -1.210 17.982 19.000 0.319 0.000 0.818 1124 A HN 0.522 nan 8.150 nan 0.000 0.445 1125 Y N 0.269 120.209 120.300 -0.600 0.000 2.145 1125 Y HA -0.179 4.370 4.550 -0.000 0.000 0.286 1125 Y C 2.036 177.618 175.900 -0.530 0.000 1.145 1125 Y CA 1.777 59.293 58.100 -0.974 0.000 1.148 1125 Y CB -0.235 37.852 38.460 -0.622 0.000 0.981 1125 Y HN 0.206 nan 8.280 nan 0.000 0.507 1126 L N 0.217 121.228 121.223 -0.354 0.000 2.017 1126 L HA -0.281 4.058 4.340 -0.000 0.000 0.208 1126 L C 1.922 178.673 176.870 -0.199 0.000 1.073 1126 L CA 2.286 56.925 54.840 -0.335 0.000 0.745 1126 L CB -0.789 41.156 42.059 -0.190 0.000 0.894 1126 L HN 0.407 nan 8.230 nan 0.000 0.432 1127 N N -0.394 118.225 118.700 -0.136 0.000 2.223 1127 N HA -0.142 4.598 4.740 -0.000 0.000 0.185 1127 N C 1.833 177.284 175.510 -0.098 0.000 1.016 1127 N CA 0.972 53.993 53.050 -0.049 0.000 0.863 1127 N CB -0.085 38.431 38.487 0.049 0.000 0.983 1127 N HN 0.320 nan 8.380 nan 0.000 0.429 1128 A N 1.129 123.839 122.820 -0.183 0.000 1.972 1128 A HA -0.088 4.231 4.320 -0.000 0.000 0.219 1128 A C 1.554 179.028 177.584 -0.183 0.000 1.169 1128 A CA 1.322 53.268 52.037 -0.151 0.000 0.635 1128 A CB -0.389 18.507 19.000 -0.172 0.000 0.810 1128 A HN 0.305 nan 8.150 nan 0.000 0.446 1129 N N -0.376 118.157 118.700 -0.279 0.000 2.370 1129 N HA 0.066 4.806 4.740 -0.000 0.000 0.198 1129 N C -0.547 174.887 175.510 -0.127 0.000 1.156 1129 N CA -0.074 52.875 53.050 -0.168 0.000 0.839 1129 N CB 0.247 38.630 38.487 -0.173 0.000 0.989 1129 N HN 0.040 nan 8.380 nan 0.000 0.468 1130 K N 0.057 120.364 120.400 -0.155 0.000 3.239 1130 K HA -0.163 4.157 4.320 -0.000 0.000 0.270 1130 K C -1.416 174.940 176.600 -0.405 0.000 1.083 1130 K CA 0.742 56.889 56.287 -0.235 0.000 0.782 1130 K CB -2.017 30.324 32.500 -0.264 0.000 1.290 1130 K HN 0.186 nan 8.250 nan 0.000 0.474 1131 F N -0.591 119.328 119.950 -0.052 0.000 2.556 1131 F HA 0.417 4.944 4.527 -0.000 0.000 0.314 1131 F C 0.601 176.402 175.800 0.003 0.000 1.106 1131 F CA -1.165 56.827 58.000 -0.013 0.000 0.911 1131 F CB 1.695 40.685 39.000 -0.016 0.000 1.190 1131 F HN -0.089 nan 8.300 nan 0.000 0.448 1132 V N 0.927 120.982 119.914 0.235 0.000 2.439 1132 V HA 0.297 4.417 4.120 -0.000 0.000 0.282 1132 V C 0.859 177.084 176.094 0.217 0.000 1.039 1132 V CA -0.479 61.947 62.300 0.209 0.000 0.913 1132 V CB 1.239 33.173 31.823 0.184 0.000 0.983 1132 V HN 0.948 nan 8.190 nan 0.000 0.460 1133 H N 4.630 123.789 119.070 0.148 0.000 2.333 1133 H HA 0.021 4.576 4.556 -0.000 0.000 0.302 1133 H C 1.579 176.957 175.328 0.083 0.000 1.075 1133 H CA 2.185 58.304 56.048 0.119 0.000 1.348 1133 H CB 0.336 30.151 29.762 0.088 0.000 1.393 1133 H HN 0.862 nan 8.280 nan 0.000 0.509 1134 R N -0.958 119.732 120.500 0.317 0.000 3.749 1134 R HA -0.183 4.157 4.340 -0.000 0.000 0.476 1134 R C -0.121 176.340 176.300 0.267 0.000 0.814 1134 R CA 1.368 57.588 56.100 0.201 0.000 1.494 1134 R CB -1.515 28.676 30.300 -0.181 0.000 2.164 1134 R HN 0.342 nan 8.270 nan 0.000 0.473 1135 D N 0.132 120.813 120.400 0.467 0.000 2.692 1135 D HA 0.134 4.774 4.640 -0.000 0.000 0.290 1135 D C -0.785 175.644 176.300 0.215 0.000 1.455 1135 D CA -0.415 53.762 54.000 0.296 0.000 0.796 1135 D CB 0.405 41.285 40.800 0.133 0.000 1.131 1135 D HN 0.027 nan 8.370 nan 0.000 0.467 1136 L N 1.778 123.084 121.223 0.138 0.000 2.534 1136 L HA 0.511 4.851 4.340 -0.000 0.000 0.271 1136 L C -0.390 176.479 176.870 -0.001 0.000 1.178 1136 L CA 0.292 55.077 54.840 -0.092 0.000 0.907 1136 L CB -0.071 42.011 42.059 0.038 0.000 1.164 1136 L HN 0.165 nan 8.230 nan 0.000 0.482 1137 A N 4.017 126.762 122.820 -0.124 0.000 2.608 1137 A HA 0.692 5.012 4.320 -0.000 0.000 0.292 1137 A C 0.589 178.136 177.584 -0.061 0.000 1.066 1137 A CA -0.185 51.745 52.037 -0.177 0.000 0.676 1137 A CB 0.294 18.746 19.000 -0.914 0.000 1.277 1137 A HN 1.074 nan 8.150 nan 0.000 0.413 1138 A N 1.055 123.928 122.820 0.088 0.000 1.903 1138 A HA -0.232 4.088 4.320 -0.000 0.000 0.219 1138 A C 1.987 179.574 177.584 0.006 0.000 1.191 1138 A CA 2.458 54.544 52.037 0.082 0.000 0.638 1138 A CB -0.762 18.337 19.000 0.165 0.000 0.823 1138 A HN 1.297 nan 8.150 nan 0.000 0.451 1139 R N -1.038 119.435 120.500 -0.044 0.000 2.249 1139 R HA -0.069 4.270 4.340 -0.000 0.000 0.230 1139 R C 0.595 176.844 176.300 -0.085 0.000 1.121 1139 R CA 1.674 57.736 56.100 -0.063 0.000 0.997 1139 R CB -0.472 29.765 30.300 -0.105 0.000 0.867 1139 R HN 0.384 nan 8.270 nan 0.000 0.465 1140 N N -0.163 118.468 118.700 -0.115 0.000 2.230 1140 N HA 0.114 4.854 4.740 -0.000 0.000 0.202 1140 N C -0.778 174.655 175.510 -0.129 0.000 1.119 1140 N CA -0.047 52.930 53.050 -0.122 0.000 0.851 1140 N CB 0.511 38.923 38.487 -0.125 0.000 0.990 1140 N HN 0.174 nan 8.380 nan 0.000 0.497 1141 C N 0.962 120.210 119.300 -0.087 0.000 2.397 1141 C HA 0.584 5.044 4.460 -0.000 0.000 0.343 1141 C C 0.188 175.149 174.990 -0.048 0.000 1.188 1141 C CA -0.916 58.059 59.018 -0.071 0.000 1.992 1141 C CB 1.191 28.908 27.740 -0.039 0.000 2.358 1141 C HN 0.170 nan 8.230 nan 0.000 0.518 1142 M N 1.959 121.529 119.600 -0.049 0.000 2.528 1142 M HA 0.492 4.972 4.480 -0.000 0.000 0.321 1142 M C -0.821 175.436 176.300 -0.072 0.000 1.153 1142 M CA -0.483 54.786 55.300 -0.052 0.000 0.951 1142 M CB 1.693 34.264 32.600 -0.049 0.000 1.705 1142 M HN 0.360 nan 8.290 nan 0.000 0.451 1143 V N 2.026 121.875 119.914 -0.108 0.000 2.347 1143 V HA 0.602 4.722 4.120 -0.000 0.000 0.280 1143 V C 0.560 176.539 176.094 -0.191 0.000 1.021 1143 V CA -0.914 61.275 62.300 -0.185 0.000 0.847 1143 V CB 0.850 32.462 31.823 -0.353 0.000 0.990 1143 V HN 1.014 nan 8.190 nan 0.000 0.444 1144 A N 3.205 125.922 122.820 -0.171 0.000 2.267 1144 A HA 0.412 4.732 4.320 -0.000 0.000 0.271 1144 A C 1.396 178.818 177.584 -0.269 0.000 1.131 1144 A CA 0.179 52.115 52.037 -0.169 0.000 0.818 1144 A CB 0.178 19.106 19.000 -0.120 0.000 1.118 1144 A HN 0.910 nan 8.150 nan 0.000 0.501 1145 E N 0.070 120.138 120.200 -0.219 0.000 2.118 1145 E HA -0.216 4.133 4.350 -0.000 0.000 0.195 1145 E C 0.961 177.338 176.600 -0.372 0.000 0.992 1145 E CA 2.096 58.333 56.400 -0.272 0.000 0.804 1145 E CB -0.123 29.491 29.700 -0.144 0.000 0.741 1145 E HN 0.712 nan 8.360 nan 0.000 0.458 1146 D N -1.472 118.814 120.400 -0.190 0.000 2.325 1146 D HA -0.065 4.575 4.640 -0.000 0.000 0.225 1146 D C -0.024 176.363 176.300 0.145 0.000 1.096 1146 D CA -0.155 53.837 54.000 -0.014 0.000 0.844 1146 D CB -0.496 40.347 40.800 0.071 0.000 0.925 1146 D HN 0.303 nan 8.370 nan 0.000 0.513 1147 F N -1.328 118.593 119.950 -0.048 0.000 2.544 1147 F HA -0.237 4.290 4.527 -0.000 0.000 0.389 1147 F C 0.472 176.229 175.800 -0.073 0.000 0.588 1147 F CA 0.706 58.643 58.000 -0.105 0.000 1.461 1147 F CB -2.515 36.446 39.000 -0.064 0.000 1.995 1147 F HN -0.115 nan 8.300 nan 0.000 0.282 1148 T N 2.437 117.051 114.554 0.100 0.000 2.871 1148 T HA 0.380 4.730 4.350 -0.000 0.000 0.296 1148 T C 0.525 175.254 174.700 0.049 0.000 0.998 1148 T CA -0.024 62.142 62.100 0.111 0.000 1.162 1148 T CB 0.901 69.828 68.868 0.098 0.000 0.947 1148 T HN 0.075 nan 8.240 nan 0.000 0.536 1149 V N 5.442 125.412 119.914 0.093 0.000 2.509 1149 V HA 0.459 4.579 4.120 -0.000 0.000 0.284 1149 V C 0.334 176.487 176.094 0.098 0.000 1.047 1149 V CA -0.495 61.837 62.300 0.053 0.000 0.952 1149 V CB 1.164 33.015 31.823 0.048 0.000 0.988 1149 V HN 0.775 nan 8.190 nan 0.000 0.469 1150 K N 3.775 124.197 120.400 0.036 0.000 2.482 1150 K HA 0.652 4.971 4.320 -0.000 0.000 0.257 1150 K C -1.338 175.263 176.600 0.002 0.000 0.969 1150 K CA -0.959 55.355 56.287 0.045 0.000 0.842 1150 K CB 2.698 35.191 32.500 -0.012 0.000 1.359 1150 K HN 0.406 nan 8.250 nan 0.000 0.441 1151 I N 1.167 121.741 120.570 0.007 0.000 2.441 1151 I HA 0.124 4.294 4.170 -0.000 0.000 0.287 1151 I C 1.097 177.126 176.117 -0.147 0.000 1.049 1151 I CA 0.245 61.484 61.300 -0.102 0.000 1.381 1151 I CB 1.181 39.112 38.000 -0.115 0.000 1.409 1151 I HN 0.953 nan 8.210 nan 0.000 0.523 1152 G N 4.214 112.858 108.800 -0.259 0.000 2.768 1152 G HA2 -0.014 3.946 3.960 -0.000 0.000 0.201 1152 G HA3 -0.014 3.946 3.960 -0.000 0.000 0.201 1152 G C 0.196 174.918 174.900 -0.297 0.000 1.089 1152 G CA 0.042 45.034 45.100 -0.180 0.000 0.787 1152 G HN 0.584 nan 8.290 nan 0.000 0.547 1153 D N -0.396 119.756 120.400 -0.414 0.000 2.217 1153 D HA 0.414 5.054 4.640 -0.000 0.000 0.243 1153 D C -0.933 175.041 176.300 -0.544 0.000 1.054 1153 D CA -0.616 53.207 54.000 -0.295 0.000 0.838 1153 D CB 1.394 42.114 40.800 -0.134 0.000 1.162 1153 D HN 0.040 nan 8.370 nan 0.000 0.472 1154 F N 1.334 121.272 119.950 -0.021 0.000 2.814 1154 F HA 0.277 4.804 4.527 -0.000 0.000 0.326 1154 F C 1.861 177.579 175.800 -0.136 0.000 1.159 1154 F CA -0.683 57.229 58.000 -0.146 0.000 1.234 1154 F CB 1.171 40.154 39.000 -0.028 0.000 1.016 1154 F HN 0.507 nan 8.300 nan 0.000 0.510 1155 G N 0.182 108.986 108.800 0.008 0.000 2.509 1155 G HA2 -0.136 3.824 3.960 -0.000 0.000 0.218 1155 G HA3 -0.136 3.824 3.960 -0.000 0.000 0.218 1155 G C 1.363 176.253 174.900 -0.016 0.000 1.124 1155 G CA 0.724 45.843 45.100 0.032 0.000 0.776 1155 G HN 0.165 nan 8.290 nan 0.000 0.547 1156 M N 1.456 120.996 119.600 -0.099 0.000 2.313 1156 M HA 0.124 4.604 4.480 -0.000 0.000 0.273 1156 M C 1.010 177.240 176.300 -0.116 0.000 1.049 1156 M CA 0.187 55.420 55.300 -0.112 0.000 1.004 1156 M CB -0.171 32.348 32.600 -0.134 0.000 1.461 1156 M HN 0.185 nan 8.290 nan 0.000 0.514 1157 T N 1.394 115.888 114.554 -0.099 0.000 2.937 1157 T HA 0.289 4.639 4.350 -0.000 0.000 0.316 1157 T C 0.277 175.040 174.700 0.105 0.000 1.079 1157 T CA -0.045 62.053 62.100 -0.004 0.000 1.131 1157 T CB 1.329 70.213 68.868 0.028 0.000 1.000 1157 T HN 0.147 nan 8.240 nan 0.000 0.549 1158 R N 1.616 122.228 120.500 0.186 0.000 2.686 1158 R HA 0.399 4.739 4.340 -0.000 0.000 0.286 1158 R C -1.020 175.442 176.300 0.269 0.000 0.969 1158 R CA -0.938 55.279 56.100 0.194 0.000 0.898 1158 R CB 1.720 32.057 30.300 0.062 0.000 1.183 1158 R HN 0.869 nan 8.270 nan 0.000 0.456 1159 D N 2.668 123.156 120.400 0.146 0.000 2.348 1159 D HA 0.295 4.935 4.640 -0.000 0.000 0.253 1159 D C 0.164 176.372 176.300 -0.153 0.000 1.161 1159 D CA -0.163 53.703 54.000 -0.223 0.000 0.876 1159 D CB 0.480 41.149 40.800 -0.218 0.000 1.160 1159 D HN 0.463 nan 8.370 nan 0.000 0.459 1163 T N -0.315 114.224 114.554 -0.024 0.000 3.340 1163 T HA 0.107 4.457 4.350 -0.000 0.000 0.272 1163 T C -0.653 174.045 174.700 -0.003 0.000 0.965 1163 T CA 0.588 62.683 62.100 -0.008 0.000 1.040 1163 T CB 1.069 69.935 68.868 -0.002 0.000 1.183 1163 T HN -0.029 nan 8.240 nan 0.000 0.478 1168 K N 1.002 121.535 120.400 0.221 0.000 2.380 1168 K HA 0.104 4.424 4.320 -0.000 0.000 0.267 1168 K C 0.817 177.477 176.600 0.099 0.000 0.990 1168 K CA 0.897 57.280 56.287 0.160 0.000 0.946 1168 K CB 0.894 33.531 32.500 0.227 0.000 0.937 1168 K HN 0.767 nan 8.250 nan 0.000 0.491 1169 G N 0.651 109.495 108.800 0.072 0.000 2.688 1169 G HA2 0.029 3.989 3.960 -0.000 0.000 0.214 1169 G HA3 0.029 3.989 3.960 -0.000 0.000 0.214 1169 G C 0.884 175.811 174.900 0.046 0.000 1.211 1169 G CA 0.594 45.725 45.100 0.052 0.000 0.853 1169 G HN 0.702 nan 8.290 nan 0.000 0.591 1170 G N -1.499 107.327 108.800 0.043 0.000 2.989 1170 G HA2 0.434 4.394 3.960 -0.000 0.000 0.221 1170 G HA3 0.434 4.394 3.960 -0.000 0.000 0.221 1170 G C -0.027 174.894 174.900 0.036 0.000 1.050 1170 G CA 0.481 45.602 45.100 0.036 0.000 0.913 1170 G HN 0.506 nan 8.290 nan 0.000 0.587 1171 K N 0.167 120.593 120.400 0.042 0.000 2.560 1171 K HA 0.486 4.806 4.320 -0.000 0.000 0.276 1171 K C -0.559 176.068 176.600 0.046 0.000 1.025 1171 K CA 0.054 56.366 56.287 0.042 0.000 0.974 1171 K CB 0.521 33.039 32.500 0.031 0.000 1.347 1171 K HN 0.249 nan 8.250 nan 0.000 0.447 1172 G N 2.482 111.318 108.800 0.060 0.000 2.441 1172 G HA2 0.612 4.572 3.960 -0.000 0.000 0.334 1172 G HA3 0.612 4.572 3.960 -0.000 0.000 0.334 1172 G C -0.372 174.560 174.900 0.053 0.000 1.161 1172 G CA -0.839 44.298 45.100 0.061 0.000 0.935 1172 G HN 0.485 nan 8.290 nan 0.000 0.488 1173 L N 0.670 121.915 121.223 0.038 0.000 3.066 1173 L HA 0.322 4.662 4.340 -0.000 0.000 0.265 1173 L C 0.197 177.092 176.870 0.042 0.000 1.232 1173 L CA -0.102 54.757 54.840 0.032 0.000 1.031 1173 L CB 0.028 42.091 42.059 0.008 0.000 1.379 1173 L HN 0.182 nan 8.230 nan 0.000 0.563 1174 L N 1.421 122.687 121.223 0.072 0.000 2.397 1174 L HA 0.258 4.597 4.340 -0.000 0.000 0.271 1174 L C -1.810 175.143 176.870 0.138 0.000 1.148 1174 L CA -1.776 53.125 54.840 0.101 0.000 0.825 1174 L CB 0.158 42.312 42.059 0.159 0.000 1.117 1174 L HN -0.082 nan 8.230 nan 0.000 0.456 1175 P HA 0.025 nan 4.420 nan 0.000 0.271 1175 P C 0.805 178.301 177.300 0.327 0.000 1.226 1175 P CA -0.285 62.957 63.100 0.236 0.000 0.765 1175 P CB 0.923 32.775 31.700 0.253 0.000 0.835 1176 V N 4.052 124.111 119.914 0.242 0.000 2.469 1176 V HA -0.237 3.882 4.120 -0.000 0.000 0.251 1176 V C 2.095 178.307 176.094 0.197 0.000 1.064 1176 V CA 1.792 64.195 62.300 0.172 0.000 1.066 1176 V CB -0.748 31.121 31.823 0.077 0.000 0.667 1176 V HN 0.562 nan 8.190 nan 0.000 0.461 1177 R N -1.520 119.150 120.500 0.283 0.000 2.316 1177 R HA -0.067 4.273 4.340 -0.000 0.000 0.202 1177 R C 1.595 177.944 176.300 0.081 0.000 1.029 1177 R CA 0.797 56.966 56.100 0.116 0.000 1.018 1177 R CB -0.055 30.224 30.300 -0.035 0.000 0.888 1177 R HN 0.573 nan 8.270 nan 0.000 0.471 1178 W N -0.200 121.258 121.300 0.263 0.000 3.008 1178 W HA 0.298 4.958 4.660 -0.000 0.000 0.355 1178 W C -0.053 176.711 176.519 0.408 0.000 1.095 1178 W CA -0.498 57.054 57.345 0.344 0.000 1.738 1178 W CB 0.362 29.991 29.460 0.281 0.000 1.091 1178 W HN -0.016 nan 8.180 nan 0.000 0.574 1179 M N 1.335 121.191 119.600 0.427 0.000 2.216 1179 M HA 0.099 4.578 4.480 -0.000 0.000 0.356 1179 M C 1.091 177.260 176.300 -0.218 0.000 1.205 1179 M CA 0.111 55.524 55.300 0.188 0.000 1.122 1179 M CB 1.357 34.023 32.600 0.110 0.000 1.571 1179 M HN -0.244 nan 8.290 nan 0.000 0.464 1180 S N 3.057 118.424 115.700 -0.555 0.000 2.584 1180 S HA 0.195 4.665 4.470 -0.000 0.000 0.270 1180 S C -2.087 171.975 174.600 -0.897 0.000 1.346 1180 S CA -1.033 56.365 58.200 -1.336 0.000 1.018 1180 S CB 0.281 63.024 63.200 -0.762 0.000 0.899 1180 S HN 0.456 nan 8.310 nan 0.000 0.542 1181 P HA -0.188 nan 4.420 nan 0.000 0.216 1181 P C 1.683 178.702 177.300 -0.468 0.000 1.153 1181 P CA 1.586 64.324 63.100 -0.602 0.000 0.858 1181 P CB -0.080 31.234 31.700 -0.644 0.000 0.789 1182 E N -0.605 119.299 120.200 -0.494 0.000 2.152 1182 E HA -0.080 4.270 4.350 -0.000 0.000 0.192 1182 E C 1.727 178.108 176.600 -0.365 0.000 0.983 1182 E CA 1.293 57.470 56.400 -0.371 0.000 0.818 1182 E CB -1.201 28.308 29.700 -0.318 0.000 0.758 1182 E HN 0.147 nan 8.360 nan 0.000 0.467 1183 S N 1.315 116.734 115.700 -0.468 0.000 2.383 1183 S HA 0.003 4.473 4.470 -0.000 0.000 0.227 1183 S C 2.148 176.533 174.600 -0.358 0.000 1.026 1183 S CA 0.928 58.760 58.200 -0.613 0.000 0.981 1183 S CB -0.242 62.481 63.200 -0.795 0.000 0.818 1183 S HN 0.205 nan 8.310 nan 0.000 0.472 1184 L N 0.881 121.938 121.223 -0.277 0.000 2.156 1184 L HA -0.005 4.335 4.340 -0.000 0.000 0.208 1184 L C 2.514 179.303 176.870 -0.135 0.000 1.095 1184 L CA 1.085 55.825 54.840 -0.167 0.000 0.770 1184 L CB -0.287 41.672 42.059 -0.167 0.000 0.914 1184 L HN 0.215 nan 8.230 nan 0.000 0.439 1185 K N -0.549 119.753 120.400 -0.164 0.000 2.098 1185 K HA -0.081 4.239 4.320 -0.000 0.000 0.203 1185 K C 0.715 177.257 176.600 -0.096 0.000 1.051 1185 K CA 1.214 57.430 56.287 -0.118 0.000 0.957 1185 K CB 0.376 32.799 32.500 -0.128 0.000 0.738 1185 K HN 0.234 nan 8.250 nan 0.000 0.447 1186 D N -1.816 118.511 120.400 -0.122 0.000 2.525 1186 D HA 0.106 4.745 4.640 -0.000 0.000 0.231 1186 D C 0.148 176.401 176.300 -0.078 0.000 1.216 1186 D CA 0.514 54.463 54.000 -0.086 0.000 0.813 1186 D CB 1.359 42.109 40.800 -0.084 0.000 1.108 1186 D HN 0.351 nan 8.370 nan 0.000 0.524 1187 G N 1.696 110.417 108.800 -0.131 0.000 2.246 1187 G HA2 -0.253 3.707 3.960 -0.000 0.000 0.273 1187 G HA3 -0.253 3.707 3.960 -0.000 0.000 0.273 1187 G C 0.126 174.960 174.900 -0.110 0.000 1.055 1187 G CA 0.217 45.265 45.100 -0.087 0.000 0.851 1187 G HN 0.274 nan 8.290 nan 0.000 0.500 1188 V N 0.000 119.727 119.914 -0.312 0.000 2.472 1188 V HA 0.824 4.944 4.120 -0.000 0.000 0.290 1188 V C -0.187 175.648 176.094 -0.433 0.000 1.037 1188 V CA -0.581 61.607 62.300 -0.187 0.000 0.908 1188 V CB 1.408 33.171 31.823 -0.100 0.000 0.985 1188 V HN 0.261 nan 8.190 nan 0.000 0.454 1189 F N 2.809 122.784 119.950 0.041 0.000 2.547 1189 F HA 0.725 5.252 4.527 -0.000 0.000 0.316 1189 F C 0.383 176.222 175.800 0.065 0.000 1.121 1189 F CA -0.448 57.591 58.000 0.066 0.000 0.911 1189 F CB 2.334 41.382 39.000 0.080 0.000 1.179 1189 F HN 0.570 nan 8.300 nan 0.000 0.443 1190 T N -2.762 111.925 114.554 0.222 0.000 2.778 1190 T HA 0.225 4.575 4.350 -0.000 0.000 0.293 1190 T C 0.719 175.467 174.700 0.080 0.000 1.144 1190 T CA -0.195 61.967 62.100 0.103 0.000 1.010 1190 T CB 1.400 70.292 68.868 0.041 0.000 1.325 1190 T HN 0.503 nan 8.240 nan 0.000 0.515 1191 T N -0.755 113.745 114.554 -0.090 0.000 2.778 1191 T HA -0.154 4.196 4.350 -0.000 0.000 0.269 1191 T C 1.233 175.931 174.700 -0.004 0.000 1.050 1191 T CA 1.907 63.983 62.100 -0.041 0.000 1.137 1191 T CB -0.886 67.876 68.868 -0.176 0.000 0.860 1191 T HN 0.585 nan 8.240 nan 0.000 0.468 1192 Y N 1.749 122.110 120.300 0.101 0.000 2.242 1192 Y HA -0.008 4.542 4.550 -0.000 0.000 0.291 1192 Y C 3.052 179.038 175.900 0.142 0.000 1.137 1192 Y CA 1.048 59.188 58.100 0.067 0.000 1.181 1192 Y CB -0.901 37.581 38.460 0.037 0.000 0.989 1192 Y HN 0.370 nan 8.280 nan 0.000 0.527 1193 S N -0.947 114.937 115.700 0.306 0.000 2.461 1193 S HA -0.112 4.358 4.470 -0.000 0.000 0.228 1193 S C 1.374 176.230 174.600 0.427 0.000 1.005 1193 S CA 1.063 59.446 58.200 0.305 0.000 0.942 1193 S CB -0.249 63.053 63.200 0.170 0.000 0.776 1193 S HN 0.289 nan 8.310 nan 0.000 0.514 1194 D N 1.743 122.390 120.400 0.412 0.000 2.144 1194 D HA 0.016 4.656 4.640 -0.000 0.000 0.200 1194 D C 1.985 178.615 176.300 0.551 0.000 0.978 1194 D CA 0.678 54.986 54.000 0.514 0.000 0.833 1194 D CB -0.337 40.805 40.800 0.569 0.000 0.961 1194 D HN 0.319 nan 8.370 nan 0.000 0.470 1195 V N 0.759 120.818 119.914 0.243 0.000 2.427 1195 V HA -0.168 3.952 4.120 -0.000 0.000 0.248 1195 V C 2.128 178.410 176.094 0.313 0.000 1.051 1195 V CA 1.035 63.316 62.300 -0.030 0.000 1.048 1195 V CB -0.441 31.214 31.823 -0.280 0.000 0.666 1195 V HN 0.404 nan 8.190 nan 0.000 0.456 1196 W N 1.297 122.749 121.300 0.254 0.000 2.333 1196 W HA -0.225 4.435 4.660 -0.000 0.000 0.316 1196 W C 2.472 179.274 176.519 0.471 0.000 1.215 1196 W CA 2.196 59.764 57.345 0.371 0.000 1.278 1196 W CB -0.539 29.099 29.460 0.296 0.000 1.154 1196 W HN 0.329 nan 8.180 nan 0.000 0.486 1197 S N 0.831 116.962 115.700 0.718 0.000 2.383 1197 S HA -0.246 4.224 4.470 -0.000 0.000 0.229 1197 S C 1.540 176.457 174.600 0.528 0.000 1.030 1197 S CA 1.650 60.243 58.200 0.655 0.000 1.002 1197 S CB -1.101 62.477 63.200 0.630 0.000 0.829 1197 S HN 0.353 nan 8.310 nan 0.000 0.467 1198 F N 2.650 122.813 119.950 0.353 0.000 2.126 1198 F HA -0.088 4.439 4.527 -0.000 0.000 0.299 1198 F C 2.273 178.159 175.800 0.143 0.000 1.096 1198 F CA 1.326 59.492 58.000 0.277 0.000 1.255 1198 F CB -0.922 38.289 39.000 0.353 0.000 0.997 1198 F HN 0.229 nan 8.300 nan 0.000 0.479 1199 G N -0.276 108.584 108.800 0.099 0.000 2.442 1199 G HA2 -0.216 3.744 3.960 -0.000 0.000 0.219 1199 G HA3 -0.216 3.744 3.960 -0.000 0.000 0.219 1199 G C 1.638 176.562 174.900 0.040 0.000 1.141 1199 G CA 1.211 46.144 45.100 -0.278 0.000 0.763 1199 G HN 0.360 nan 8.290 nan 0.000 0.554 1200 V N 0.979 121.070 119.914 0.295 0.000 2.548 1200 V HA -0.125 3.995 4.120 -0.000 0.000 0.249 1200 V C 3.029 179.309 176.094 0.310 0.000 1.055 1200 V CA 1.481 63.956 62.300 0.292 0.000 1.065 1200 V CB 0.039 31.876 31.823 0.023 0.000 0.681 1200 V HN 0.401 nan 8.190 nan 0.000 0.462 1201 V N -1.233 118.827 119.914 0.242 0.000 2.453 1201 V HA -0.129 3.991 4.120 -0.000 0.000 0.247 1201 V C 2.159 178.269 176.094 0.027 0.000 1.048 1201 V CA 1.512 63.922 62.300 0.184 0.000 1.049 1201 V CB -0.540 31.345 31.823 0.102 0.000 0.672 1201 V HN 0.426 nan 8.190 nan 0.000 0.457 1202 L N -1.306 119.827 121.223 -0.149 0.000 2.013 1202 L HA -0.194 4.146 4.340 -0.000 0.000 0.212 1202 L C 2.479 179.357 176.870 0.013 0.000 1.073 1202 L CA 2.744 57.483 54.840 -0.168 0.000 0.753 1202 L CB -0.733 41.153 42.059 -0.288 0.000 0.890 1202 L HN 0.608 nan 8.230 nan 0.000 0.432 1203 W N 1.166 122.440 121.300 -0.043 0.000 2.388 1203 W HA -0.167 4.493 4.660 -0.000 0.000 0.294 1203 W C 2.438 178.967 176.519 0.016 0.000 1.212 1203 W CA 1.431 58.799 57.345 0.037 0.000 1.271 1203 W CB 0.035 29.590 29.460 0.159 0.000 1.126 1203 W HN 0.098 nan 8.180 nan 0.000 0.535 1204 E N 0.103 120.458 120.200 0.259 0.000 2.077 1204 E HA -0.244 4.106 4.350 -0.000 0.000 0.193 1204 E C 2.024 178.595 176.600 -0.048 0.000 0.989 1204 E CA 1.871 58.350 56.400 0.131 0.000 0.800 1204 E CB -0.450 29.429 29.700 0.299 0.000 0.746 1204 E HN 0.372 nan 8.360 nan 0.000 0.452 1205 I N 0.917 121.470 120.570 -0.028 0.000 2.315 1205 I HA -0.219 3.951 4.170 -0.000 0.000 0.248 1205 I C 2.455 178.498 176.117 -0.125 0.000 1.117 1205 I CA 0.865 62.136 61.300 -0.048 0.000 1.404 1205 I CB -0.214 37.769 38.000 -0.028 0.000 1.071 1205 I HN 0.051 nan 8.210 nan 0.000 0.419 1206 A N 0.464 123.165 122.820 -0.199 0.000 2.015 1206 A HA -0.145 4.175 4.320 -0.000 0.000 0.219 1206 A C 2.232 179.610 177.584 -0.344 0.000 1.163 1206 A CA 1.990 53.878 52.037 -0.249 0.000 0.646 1206 A CB -0.845 18.004 19.000 -0.253 0.000 0.806 1206 A HN 0.505 nan 8.150 nan 0.000 0.448 1207 T N -3.714 110.546 114.554 -0.489 0.000 3.092 1207 T HA 0.455 4.805 4.350 -0.000 0.000 0.258 1207 T C 0.449 174.976 174.700 -0.289 0.000 1.031 1207 T CA 0.115 61.914 62.100 -0.501 0.000 0.925 1207 T CB -0.487 67.833 68.868 -0.914 0.000 1.036 1207 T HN 0.500 nan 8.240 nan 0.000 0.544 1208 L N 0.688 121.790 121.223 -0.201 0.000 3.677 1208 L HA -0.230 4.110 4.340 -0.000 0.000 0.464 1208 L C 0.857 177.683 176.870 -0.073 0.000 1.278 1208 L CA 0.193 54.966 54.840 -0.112 0.000 0.806 1208 L CB -2.190 39.803 42.059 -0.109 0.000 1.610 1208 L HN 0.781 nan 8.230 nan 0.000 0.867 1209 A N -0.617 122.176 122.820 -0.046 0.000 3.002 1209 A HA -0.207 4.113 4.320 -0.000 0.000 0.272 1209 A C 0.568 178.192 177.584 0.066 0.000 1.421 1209 A CA 1.347 53.416 52.037 0.054 0.000 0.766 1209 A CB -1.259 17.785 19.000 0.074 0.000 1.034 1209 A HN 0.694 nan 8.150 nan 0.000 0.541 1210 E N -0.172 120.029 120.200 0.002 0.000 2.371 1210 E HA 0.294 4.644 4.350 -0.000 0.000 0.257 1210 E C 0.531 177.288 176.600 0.261 0.000 1.134 1210 E CA -0.434 56.009 56.400 0.072 0.000 0.919 1210 E CB 0.365 30.036 29.700 -0.048 0.000 1.025 1210 E HN 0.546 nan 8.360 nan 0.000 0.438 1211 Q N 3.111 123.049 119.800 0.230 0.000 2.296 1211 Q HA 0.173 4.512 4.340 -0.000 0.000 0.263 1211 Q C -2.252 173.846 176.000 0.163 0.000 1.026 1211 Q CA -1.892 54.039 55.803 0.213 0.000 0.912 1211 Q CB 0.738 29.568 28.738 0.153 0.000 1.198 1211 Q HN 0.196 nan 8.270 nan 0.000 0.407 1212 P HA -0.102 nan 4.420 nan 0.000 0.265 1212 P C -1.238 175.865 177.300 -0.328 0.000 1.193 1212 P CA 0.476 63.212 63.100 -0.606 0.000 0.765 1212 P CB 0.081 31.279 31.700 -0.836 0.000 0.823 1213 Y N -0.920 119.130 120.300 -0.416 0.000 3.589 1213 Y HA -0.271 4.279 4.550 -0.000 0.000 0.218 1213 Y C 0.982 176.776 175.900 -0.177 0.000 1.234 1213 Y CA 0.372 58.290 58.100 -0.304 0.000 1.576 1213 Y CB -2.635 35.644 38.460 -0.302 0.000 1.487 1213 Y HN 0.442 nan 8.280 nan 0.000 0.616 1214 Q N 1.045 120.844 119.800 -0.002 0.000 2.304 1214 Q HA 0.286 4.626 4.340 -0.000 0.000 0.301 1214 Q C 1.438 177.433 176.000 -0.008 0.000 1.063 1214 Q CA 1.485 57.303 55.803 0.025 0.000 0.947 1214 Q CB 0.436 29.208 28.738 0.057 0.000 1.201 1214 Q HN 0.878 nan 8.270 nan 0.000 0.389 1215 G N 3.056 111.850 108.800 -0.009 0.000 2.176 1215 G HA2 -0.205 3.755 3.960 -0.000 0.000 0.232 1215 G HA3 -0.205 3.755 3.960 -0.000 0.000 0.232 1215 G C -0.275 174.594 174.900 -0.052 0.000 0.986 1215 G CA 0.059 45.141 45.100 -0.030 0.000 0.643 1215 G HN 0.512 nan 8.290 nan 0.000 0.522 1216 L N 1.828 123.020 121.223 -0.052 0.000 2.385 1216 L HA 0.633 4.973 4.340 -0.000 0.000 0.273 1216 L C 1.053 177.900 176.870 -0.038 0.000 0.990 1216 L CA -0.470 54.326 54.840 -0.072 0.000 0.821 1216 L CB 2.002 43.978 42.059 -0.138 0.000 1.279 1216 L HN 0.362 nan 8.230 nan 0.000 0.412 1217 S N 1.093 116.774 115.700 -0.032 0.000 2.608 1217 S HA 0.140 4.610 4.470 -0.000 0.000 0.261 1217 S C 0.856 175.443 174.600 -0.023 0.000 1.314 1217 S CA -0.500 57.691 58.200 -0.014 0.000 0.992 1217 S CB 0.761 63.956 63.200 -0.009 0.000 0.935 1217 S HN 0.636 nan 8.310 nan 0.000 0.564 1218 N N 1.221 119.919 118.700 -0.004 0.000 2.166 1218 N HA -0.083 4.657 4.740 -0.000 0.000 0.186 1218 N C 1.473 176.969 175.510 -0.023 0.000 1.019 1218 N CA 1.153 54.199 53.050 -0.006 0.000 0.856 1218 N CB -0.529 37.972 38.487 0.024 0.000 0.993 1218 N HN 0.642 nan 8.380 nan 0.000 0.426 1219 E N 1.023 121.214 120.200 -0.016 0.000 2.204 1219 E HA -0.094 4.256 4.350 -0.000 0.000 0.194 1219 E C 1.684 178.268 176.600 -0.026 0.000 0.989 1219 E CA 0.681 57.071 56.400 -0.017 0.000 0.824 1219 E CB 0.034 29.729 29.700 -0.009 0.000 0.756 1219 E HN 0.574 nan 8.360 nan 0.000 0.477 1220 Q N -0.192 119.586 119.800 -0.036 0.000 2.163 1220 Q HA -0.012 4.328 4.340 -0.000 0.000 0.198 1220 Q C 2.331 178.296 176.000 -0.059 0.000 0.954 1220 Q CA 0.645 56.424 55.803 -0.040 0.000 0.851 1220 Q CB 0.181 28.887 28.738 -0.053 0.000 0.928 1220 Q HN 0.073 nan 8.270 nan 0.000 0.459 1221 V N 1.390 121.232 119.914 -0.119 0.000 2.332 1221 V HA -0.253 3.866 4.120 -0.000 0.000 0.248 1221 V C 2.180 178.176 176.094 -0.164 0.000 1.055 1221 V CA 1.397 63.555 62.300 -0.237 0.000 1.038 1221 V CB -0.469 31.160 31.823 -0.323 0.000 0.651 1221 V HN 0.297 nan 8.190 nan 0.000 0.450 1222 L N 0.298 121.461 121.223 -0.100 0.000 2.042 1222 L HA -0.169 4.171 4.340 -0.000 0.000 0.210 1222 L C 2.572 179.409 176.870 -0.056 0.000 1.076 1222 L CA 1.979 56.772 54.840 -0.078 0.000 0.749 1222 L CB -0.660 41.370 42.059 -0.048 0.000 0.893 1222 L HN 0.234 nan 8.230 nan 0.000 0.432 1223 R N -2.061 118.426 120.500 -0.021 0.000 2.090 1223 R HA -0.128 4.212 4.340 -0.000 0.000 0.228 1223 R C 2.209 178.522 176.300 0.021 0.000 1.110 1223 R CA 1.348 57.446 56.100 -0.003 0.000 0.973 1223 R CB -0.635 29.673 30.300 0.013 0.000 0.869 1223 R HN 0.299 nan 8.270 nan 0.000 0.440 1224 F N 1.439 121.315 119.950 -0.122 0.000 2.046 1224 F HA -0.239 4.287 4.527 -0.000 0.000 0.297 1224 F C 2.090 177.824 175.800 -0.110 0.000 1.123 1224 F CA 1.514 59.443 58.000 -0.117 0.000 1.199 1224 F CB -0.435 38.470 39.000 -0.158 0.000 0.972 1224 F HN -0.294 nan 8.300 nan 0.000 0.474 1225 V N 0.419 120.260 119.914 -0.122 0.000 2.343 1225 V HA -0.344 3.776 4.120 -0.000 0.000 0.247 1225 V C 2.498 178.511 176.094 -0.135 0.000 1.051 1225 V CA 2.208 64.406 62.300 -0.170 0.000 1.036 1225 V CB -0.647 31.075 31.823 -0.167 0.000 0.654 1225 V HN 0.400 nan 8.190 nan 0.000 0.451 1226 M N -0.588 118.946 119.600 -0.110 0.000 2.213 1226 M HA -0.177 4.303 4.480 -0.000 0.000 0.263 1226 M C 1.789 178.109 176.300 0.035 0.000 1.062 1226 M CA 1.688 56.959 55.300 -0.049 0.000 1.105 1226 M CB -0.227 32.337 32.600 -0.061 0.000 1.385 1226 M HN 0.370 nan 8.290 nan 0.000 0.417 1227 E N -1.028 119.126 120.200 -0.077 0.000 2.465 1227 E HA 0.148 4.498 4.350 -0.000 0.000 0.191 1227 E C 0.961 177.399 176.600 -0.270 0.000 1.053 1227 E CA 0.330 56.645 56.400 -0.142 0.000 0.869 1227 E CB 0.398 30.024 29.700 -0.123 0.000 0.977 1227 E HN 0.658 nan 8.360 nan 0.000 0.483 1228 G N 0.947 109.599 108.800 -0.246 0.000 2.192 1228 G HA2 -0.207 3.753 3.960 -0.000 0.000 0.193 1228 G HA3 -0.207 3.753 3.960 -0.000 0.000 0.193 1228 G C 0.593 175.305 174.900 -0.312 0.000 0.999 1228 G CA -0.471 44.458 45.100 -0.286 0.000 0.659 1228 G HN 0.456 nan 8.290 nan 0.000 0.503 1229 G N -0.182 108.232 108.800 -0.643 0.000 2.554 1229 G HA2 0.532 4.492 3.960 -0.000 0.000 0.238 1229 G HA3 0.532 4.492 3.960 -0.000 0.000 0.238 1229 G C -0.014 174.524 174.900 -0.603 0.000 1.259 1229 G CA 0.215 44.559 45.100 -1.261 0.000 0.843 1229 G HN 0.807 nan 8.290 nan 0.000 0.582 1230 L N 0.125 121.218 121.223 -0.215 0.000 2.376 1230 L HA 0.418 4.758 4.340 -0.000 0.000 0.258 1230 L C 0.019 176.951 176.870 0.103 0.000 1.013 1230 L CA -1.044 53.781 54.840 -0.026 0.000 0.822 1230 L CB 2.057 44.123 42.059 0.011 0.000 1.388 1230 L HN 0.326 nan 8.230 nan 0.000 0.413 1231 L N 1.187 122.184 121.223 -0.378 0.000 2.461 1231 L HA 0.110 4.450 4.340 -0.000 0.000 0.272 1231 L C -0.176 176.715 176.870 0.035 0.000 1.197 1231 L CA -0.171 54.384 54.840 -0.476 0.000 0.836 1231 L CB 0.138 41.495 42.059 -1.171 0.000 1.105 1231 L HN 0.467 nan 8.230 nan 0.000 0.477 1232 D N 1.983 122.431 120.400 0.079 0.000 2.339 1232 D HA 0.070 4.710 4.640 -0.000 0.000 0.245 1232 D C 0.060 176.451 176.300 0.151 0.000 1.115 1232 D CA -0.341 53.745 54.000 0.144 0.000 0.917 1232 D CB 0.918 41.762 40.800 0.073 0.000 1.192 1232 D HN 0.312 nan 8.370 nan 0.000 0.428 1233 K N 1.777 122.005 120.400 -0.287 0.000 2.447 1233 K HA 0.094 4.414 4.320 -0.000 0.000 0.281 1233 K C -2.290 174.178 176.600 -0.221 0.000 1.031 1233 K CA -0.985 54.881 56.287 -0.701 0.000 1.019 1233 K CB 0.203 31.921 32.500 -1.302 0.000 0.918 1233 K HN 0.063 nan 8.250 nan 0.000 0.476 1234 P HA -0.032 nan 4.420 nan 0.000 0.267 1234 P C -0.044 177.163 177.300 -0.155 0.000 1.200 1234 P CA -0.242 62.764 63.100 -0.157 0.000 0.772 1234 P CB 0.569 32.091 31.700 -0.295 0.000 0.855 1235 D N 0.987 121.312 120.400 -0.125 0.000 2.157 1235 D HA -0.182 4.457 4.640 -0.000 0.000 0.191 1235 D C 0.501 176.740 176.300 -0.101 0.000 1.004 1235 D CA 1.627 55.567 54.000 -0.101 0.000 0.854 1235 D CB -0.152 40.598 40.800 -0.084 0.000 0.936 1235 D HN 0.366 nan 8.370 nan 0.000 0.446 1236 N N -0.429 118.205 118.700 -0.109 0.000 2.416 1236 N HA 0.049 4.789 4.740 -0.000 0.000 0.267 1236 N C -0.876 174.578 175.510 -0.093 0.000 1.294 1236 N CA -0.223 52.772 53.050 -0.092 0.000 0.891 1236 N CB 0.428 38.867 38.487 -0.080 0.000 1.238 1236 N HN 0.069 nan 8.380 nan 0.000 0.508 1237 C N 2.340 121.574 119.300 -0.110 0.000 2.585 1237 C HA 0.356 4.816 4.460 -0.000 0.000 0.406 1237 C C -1.948 173.011 174.990 -0.051 0.000 1.312 1237 C CA -1.106 57.858 59.018 -0.090 0.000 1.924 1237 C CB -0.206 27.473 27.740 -0.102 0.000 2.578 1237 C HN 0.273 nan 8.230 nan 0.000 0.580 1238 P HA 0.117 nan 4.420 nan 0.000 0.265 1238 P C 0.315 177.631 177.300 0.027 0.000 1.193 1238 P CA 0.341 63.435 63.100 -0.010 0.000 0.765 1238 P CB 0.535 32.226 31.700 -0.014 0.000 0.823 1239 D N 2.024 122.444 120.400 0.033 0.000 2.158 1239 D HA -0.194 4.445 4.640 -0.000 0.000 0.197 1239 D C 1.604 177.955 176.300 0.085 0.000 0.995 1239 D CA 1.273 55.319 54.000 0.077 0.000 0.846 1239 D CB -0.412 40.419 40.800 0.053 0.000 0.941 1239 D HN 0.344 nan 8.370 nan 0.000 0.456 1240 M N 0.181 119.803 119.600 0.038 0.000 2.067 1240 M HA -0.133 4.346 4.480 -0.000 0.000 0.260 1240 M C 2.061 178.364 176.300 0.005 0.000 1.069 1240 M CA 1.135 56.443 55.300 0.013 0.000 1.117 1240 M CB -0.492 32.106 32.600 -0.004 0.000 1.334 1240 M HN 0.069 nan 8.290 nan 0.000 0.407 1241 L N 0.255 121.487 121.223 0.015 0.000 2.083 1241 L HA -0.181 4.159 4.340 -0.000 0.000 0.209 1241 L C 2.247 179.121 176.870 0.006 0.000 1.083 1241 L CA 1.540 56.376 54.840 -0.006 0.000 0.752 1241 L CB -0.842 41.212 42.059 -0.009 0.000 0.899 1241 L HN 0.347 nan 8.230 nan 0.000 0.433 1242 F N -0.029 119.872 119.950 -0.081 0.000 2.206 1242 F HA -0.112 4.415 4.527 -0.000 0.000 0.298 1242 F C 2.331 178.067 175.800 -0.108 0.000 1.090 1242 F CA 1.180 59.133 58.000 -0.079 0.000 1.323 1242 F CB -0.110 38.884 39.000 -0.011 0.000 1.028 1242 F HN 0.085 nan 8.300 nan 0.000 0.492 1243 E N 0.233 120.343 120.200 -0.149 0.000 2.204 1243 E HA -0.173 4.177 4.350 -0.000 0.000 0.195 1243 E C 2.209 178.648 176.600 -0.269 0.000 0.990 1243 E CA 0.719 56.982 56.400 -0.229 0.000 0.821 1243 E CB -0.668 28.983 29.700 -0.082 0.000 0.750 1243 E HN 0.387 nan 8.360 nan 0.000 0.477 1244 L N 0.307 121.392 121.223 -0.231 0.000 2.072 1244 L HA -0.038 4.302 4.340 -0.000 0.000 0.205 1244 L C 2.186 178.816 176.870 -0.400 0.000 1.079 1244 L CA 1.425 56.131 54.840 -0.223 0.000 0.752 1244 L CB -0.458 41.527 42.059 -0.123 0.000 0.906 1244 L HN 0.057 nan 8.230 nan 0.000 0.436 1245 M N -1.116 118.128 119.600 -0.594 0.000 2.149 1245 M HA -0.228 4.252 4.480 -0.000 0.000 0.261 1245 M C 2.312 177.863 176.300 -1.248 0.000 1.064 1245 M CA 1.656 56.258 55.300 -1.164 0.000 1.102 1245 M CB -0.435 31.389 32.600 -1.293 0.000 1.369 1245 M HN 0.170 nan 8.290 nan 0.000 0.408 1246 R N 0.007 120.024 120.500 -0.805 0.000 2.120 1246 R HA -0.051 4.289 4.340 -0.000 0.000 0.234 1246 R C 2.118 178.264 176.300 -0.257 0.000 1.123 1246 R CA 1.333 57.163 56.100 -0.451 0.000 0.975 1246 R CB -0.299 29.741 30.300 -0.434 0.000 0.866 1246 R HN 0.444 nan 8.270 nan 0.000 0.446 1247 M N -0.455 118.979 119.600 -0.276 0.000 2.156 1247 M HA -0.144 4.336 4.480 -0.000 0.000 0.264 1247 M C 2.339 178.559 176.300 -0.134 0.000 1.067 1247 M CA 1.213 56.419 55.300 -0.157 0.000 1.131 1247 M CB -0.218 32.299 32.600 -0.139 0.000 1.368 1247 M HN 0.199 nan 8.290 nan 0.000 0.416 1248 C N -0.662 118.479 119.300 -0.265 0.000 2.432 1248 C HA -0.118 4.341 4.460 -0.000 0.000 0.282 1248 C C 1.548 176.520 174.990 -0.029 0.000 1.388 1248 C CA 0.207 59.104 59.018 -0.202 0.000 1.777 1248 C CB -1.110 26.424 27.740 -0.344 0.000 1.882 1248 C HN 0.654 nan 8.230 nan 0.000 0.520 1249 W N 0.511 121.716 121.300 -0.158 0.000 3.194 1249 W HA 0.308 4.967 4.660 -0.000 0.000 0.408 1249 W C 0.436 177.069 176.519 0.191 0.000 1.072 1249 W CA -0.715 56.525 57.345 -0.176 0.000 1.953 1249 W CB -1.067 28.093 29.460 -0.501 0.000 1.091 1249 W HN 0.311 nan 8.180 nan 0.000 0.699 1250 Q N 0.349 120.336 119.800 0.313 0.000 2.286 1250 Q HA -0.152 4.188 4.340 -0.000 0.000 0.290 1250 Q C 1.061 177.256 176.000 0.324 0.000 1.049 1250 Q CA 0.358 56.308 55.803 0.245 0.000 0.923 1250 Q CB 0.487 29.292 28.738 0.112 0.000 1.183 1250 Q HN 0.339 nan 8.270 nan 0.000 0.383 1251 Y N 2.943 123.333 120.300 0.150 0.000 2.242 1251 Y HA -0.167 4.383 4.550 -0.000 0.000 0.291 1251 Y C 0.793 176.696 175.900 0.004 0.000 1.137 1251 Y CA 1.158 59.304 58.100 0.078 0.000 1.181 1251 Y CB 0.389 38.860 38.460 0.019 0.000 0.989 1251 Y HN 0.559 nan 8.280 nan 0.000 0.527 1252 N N 1.161 119.888 118.700 0.044 0.000 2.406 1252 N HA 0.083 4.822 4.740 -0.000 0.000 0.251 1252 N C -2.154 173.275 175.510 -0.136 0.000 1.069 1252 N CA -1.998 51.006 53.050 -0.077 0.000 0.947 1252 N CB 1.345 39.821 38.487 -0.018 0.000 1.111 1252 N HN 0.018 nan 8.380 nan 0.000 0.497 1253 P HA -0.165 nan 4.420 nan 0.000 0.216 1253 P C 0.801 177.719 177.300 -0.637 0.000 1.150 1253 P CA 1.491 64.417 63.100 -0.290 0.000 0.843 1253 P CB 0.349 31.909 31.700 -0.234 0.000 0.787 1254 K N -1.468 118.591 120.400 -0.567 0.000 2.288 1254 K HA 0.065 4.384 4.320 -0.000 0.000 0.201 1254 K C 1.439 177.851 176.600 -0.315 0.000 1.048 1254 K CA 0.932 56.863 56.287 -0.593 0.000 0.956 1254 K CB -0.376 31.936 32.500 -0.312 0.000 0.746 1254 K HN 0.237 nan 8.250 nan 0.000 0.461 1255 M N 0.797 120.279 119.600 -0.196 0.000 2.561 1255 M HA 0.074 4.554 4.480 -0.000 0.000 0.238 1255 M C 0.334 176.597 176.300 -0.062 0.000 1.131 1255 M CA 0.287 55.532 55.300 -0.092 0.000 1.046 1255 M CB -0.411 32.164 32.600 -0.041 0.000 1.532 1255 M HN -0.051 nan 8.290 nan 0.000 0.497 1256 R N 0.851 121.303 120.500 -0.080 0.000 2.528 1256 R HA 0.392 4.732 4.340 -0.000 0.000 0.271 1256 R C -2.183 174.106 176.300 -0.019 0.000 1.056 1256 R CA -1.485 54.603 56.100 -0.021 0.000 1.117 1256 R CB -0.064 30.261 30.300 0.043 0.000 1.085 1256 R HN -0.011 nan 8.270 nan 0.000 0.530 1257 P HA 0.058 nan 4.420 nan 0.000 0.276 1257 P C -0.714 176.534 177.300 -0.087 0.000 1.244 1257 P CA -0.539 62.526 63.100 -0.058 0.000 0.801 1257 P CB 0.938 32.582 31.700 -0.093 0.000 1.006 1258 S N 0.159 115.828 115.700 -0.051 0.000 2.632 1258 S HA 0.276 4.746 4.470 -0.000 0.000 0.267 1258 S C 0.869 175.371 174.600 -0.162 0.000 1.276 1258 S CA -0.307 57.846 58.200 -0.078 0.000 0.998 1258 S CB -0.064 63.161 63.200 0.042 0.000 0.953 1258 S HN 0.191 nan 8.310 nan 0.000 0.547 1259 F N 0.309 120.227 119.950 -0.052 0.000 2.171 1259 F HA 0.030 4.557 4.527 -0.000 0.000 0.300 1259 F C 2.109 177.888 175.800 -0.035 0.000 1.090 1259 F CA 1.022 58.943 58.000 -0.131 0.000 1.293 1259 F CB -0.745 38.178 39.000 -0.127 0.000 1.013 1259 F HN 0.459 nan 8.300 nan 0.000 0.486 1260 L N -0.361 121.007 121.223 0.242 0.000 2.042 1260 L HA -0.231 4.109 4.340 -0.000 0.000 0.210 1260 L C 2.288 179.264 176.870 0.177 0.000 1.076 1260 L CA 1.534 56.537 54.840 0.271 0.000 0.749 1260 L CB -0.629 41.586 42.059 0.259 0.000 0.893 1260 L HN 0.170 nan 8.230 nan 0.000 0.432 1261 E N -0.072 120.182 120.200 0.089 0.000 2.106 1261 E HA -0.189 4.161 4.350 -0.000 0.000 0.192 1261 E C 2.275 178.866 176.600 -0.015 0.000 0.984 1261 E CA 0.866 57.289 56.400 0.038 0.000 0.806 1261 E CB 0.074 29.783 29.700 0.015 0.000 0.750 1261 E HN 0.384 nan 8.360 nan 0.000 0.458 1262 I N 1.054 121.594 120.570 -0.050 0.000 2.163 1262 I HA -0.284 3.886 4.170 -0.000 0.000 0.243 1262 I C 2.404 178.471 176.117 -0.084 0.000 1.085 1262 I CA 1.428 62.683 61.300 -0.075 0.000 1.347 1262 I CB -0.850 37.062 38.000 -0.146 0.000 1.044 1262 I HN 0.172 nan 8.210 nan 0.000 0.408 1263 I N 1.288 121.791 120.570 -0.112 0.000 2.179 1263 I HA -0.300 3.870 4.170 -0.000 0.000 0.242 1263 I C 2.735 178.627 176.117 -0.376 0.000 1.088 1263 I CA 1.885 63.017 61.300 -0.279 0.000 1.357 1263 I CB -0.431 37.322 38.000 -0.411 0.000 1.051 1263 I HN 0.272 nan 8.210 nan 0.000 0.409 1264 S N 0.003 115.538 115.700 -0.275 0.000 2.474 1264 S HA -0.142 4.327 4.470 -0.000 0.000 0.235 1264 S C 1.962 176.521 174.600 -0.069 0.000 0.997 1264 S CA 1.064 59.186 58.200 -0.130 0.000 0.949 1264 S CB -0.649 62.607 63.200 0.094 0.000 0.766 1264 S HN 0.570 nan 8.310 nan 0.000 0.517 1265 S N 1.850 117.505 115.700 -0.073 0.000 2.527 1265 S HA 0.180 4.650 4.470 -0.000 0.000 0.222 1265 S C 1.489 176.051 174.600 -0.063 0.000 0.985 1265 S CA 0.253 58.424 58.200 -0.049 0.000 0.921 1265 S CB -0.750 62.426 63.200 -0.040 0.000 0.772 1265 S HN 0.880 nan 8.310 nan 0.000 0.529 1266 I N -1.990 118.518 120.570 -0.104 0.000 4.442 1266 I HA 0.362 4.532 4.170 -0.000 0.000 0.331 1266 I C 1.599 177.618 176.117 -0.162 0.000 1.364 1266 I CA -0.465 60.767 61.300 -0.113 0.000 1.207 1266 I CB 0.068 38.003 38.000 -0.108 0.000 1.298 1266 I HN 0.104 nan 8.210 nan 0.000 0.463 1267 K N 2.033 122.324 120.400 -0.182 0.000 2.063 1267 K HA -0.151 4.169 4.320 -0.000 0.000 0.208 1267 K C 1.320 177.881 176.600 -0.065 0.000 1.048 1267 K CA 1.968 58.147 56.287 -0.180 0.000 0.928 1267 K CB -0.473 31.969 32.500 -0.096 0.000 0.713 1267 K HN 0.448 nan 8.250 nan 0.000 0.442 1268 E N 1.014 121.203 120.200 -0.019 0.000 2.209 1268 E HA -0.154 4.196 4.350 -0.000 0.000 0.196 1268 E C 1.413 177.999 176.600 -0.023 0.000 0.993 1268 E CA 1.217 57.620 56.400 0.005 0.000 0.819 1268 E CB 0.061 29.768 29.700 0.011 0.000 0.745 1268 E HN 0.490 nan 8.360 nan 0.000 0.477 1269 E N -0.271 119.895 120.200 -0.057 0.000 2.479 1269 E HA 0.022 4.371 4.350 -0.000 0.000 0.193 1269 E C 0.123 176.673 176.600 -0.083 0.000 1.049 1269 E CA -0.146 56.219 56.400 -0.059 0.000 0.870 1269 E CB 0.318 29.983 29.700 -0.058 0.000 0.944 1269 E HN 0.153 nan 8.360 nan 0.000 0.492 1270 M N 1.122 120.645 119.600 -0.127 0.000 2.255 1270 M HA 0.152 4.632 4.480 -0.000 0.000 0.336 1270 M C 0.442 176.720 176.300 -0.037 0.000 1.135 1270 M CA 0.091 55.293 55.300 -0.162 0.000 1.145 1270 M CB 0.412 32.756 32.600 -0.427 0.000 1.473 1270 M HN -0.079 nan 8.290 nan 0.000 0.462 1271 E N 1.998 122.205 120.200 0.011 0.000 2.437 1271 E HA -0.029 4.320 4.350 -0.000 0.000 0.263 1271 E C -1.497 175.162 176.600 0.099 0.000 1.030 1271 E CA -1.245 55.190 56.400 0.059 0.000 0.934 1271 E CB 0.153 29.902 29.700 0.082 0.000 0.943 1271 E HN 0.371 nan 8.360 nan 0.000 0.444 1272 P HA -0.234 nan 4.420 nan 0.000 0.219 1272 P C 1.190 178.537 177.300 0.077 0.000 1.158 1272 P CA 1.666 64.801 63.100 0.058 0.000 0.895 1272 P CB -0.022 31.698 31.700 0.033 0.000 0.792 1273 G N -2.282 106.572 108.800 0.090 0.000 2.653 1273 G HA2 -0.241 3.719 3.960 -0.000 0.000 0.212 1273 G HA3 -0.241 3.719 3.960 -0.000 0.000 0.212 1273 G C 1.176 176.137 174.900 0.103 0.000 1.138 1273 G CA -0.165 44.975 45.100 0.065 0.000 0.782 1273 G HN 0.193 nan 8.290 nan 0.000 0.535 1274 F N 1.178 121.153 119.950 0.040 0.000 2.234 1274 F HA 0.064 4.591 4.527 -0.000 0.000 0.299 1274 F C 2.687 178.561 175.800 0.124 0.000 1.087 1274 F CA 0.950 59.023 58.000 0.121 0.000 1.340 1274 F CB 0.084 39.179 39.000 0.158 0.000 1.031 1274 F HN 0.044 nan 8.300 nan 0.000 0.500 1275 R N -0.113 120.387 120.500 -0.000 0.000 2.096 1275 R HA -0.173 4.167 4.340 -0.000 0.000 0.235 1275 R C 2.236 178.442 176.300 -0.157 0.000 1.127 1275 R CA 1.609 57.530 56.100 -0.299 0.000 0.968 1275 R CB -0.422 29.608 30.300 -0.450 0.000 0.861 1275 R HN 0.414 nan 8.270 nan 0.000 0.440 1276 E N 0.367 120.492 120.200 -0.125 0.000 2.051 1276 E HA -0.122 4.228 4.350 -0.000 0.000 0.189 1276 E C 1.923 178.433 176.600 -0.150 0.000 0.979 1276 E CA 1.398 57.727 56.400 -0.118 0.000 0.803 1276 E CB 0.315 29.948 29.700 -0.111 0.000 0.761 1276 E HN 0.244 nan 8.360 nan 0.000 0.451 1277 V N -0.297 119.478 119.914 -0.231 0.000 2.878 1277 V HA 0.043 4.163 4.120 -0.000 0.000 0.250 1277 V C 1.302 177.270 176.094 -0.210 0.000 1.075 1277 V CA 0.460 62.550 62.300 -0.350 0.000 1.096 1277 V CB -0.299 31.052 31.823 -0.787 0.000 0.724 1277 V HN 0.181 nan 8.190 nan 0.000 0.467 1278 S N -0.078 115.475 115.700 -0.245 0.000 2.593 1278 S HA 0.255 4.725 4.470 -0.000 0.000 0.269 1278 S C 0.643 175.271 174.600 0.046 0.000 1.334 1278 S CA 0.154 58.244 58.200 -0.183 0.000 1.015 1278 S CB 0.668 63.278 63.200 -0.984 0.000 0.912 1278 S HN 0.474 nan 8.310 nan 0.000 0.541 1279 F N 1.947 121.937 119.950 0.067 0.000 2.259 1279 F HA -0.007 4.520 4.527 -0.000 0.000 0.298 1279 F C 1.870 177.731 175.800 0.102 0.000 1.088 1279 F CA 0.990 59.057 58.000 0.113 0.000 1.358 1279 F CB -0.674 38.450 39.000 0.206 0.000 1.040 1279 F HN 0.831 nan 8.300 nan 0.000 0.505 1280 Y N -0.122 120.067 120.300 -0.185 0.000 2.114 1280 Y HA -0.337 4.213 4.550 -0.000 0.000 0.282 1280 Y C 1.277 176.887 175.900 -0.484 0.000 1.165 1280 Y CA 2.269 60.158 58.100 -0.353 0.000 1.148 1280 Y CB -0.583 37.779 38.460 -0.164 0.000 0.972 1280 Y HN 0.151 nan 8.280 nan 0.000 0.504 1281 Y N -0.011 120.217 120.300 -0.120 0.000 2.571 1281 Y HA 0.170 4.720 4.550 -0.000 0.000 0.275 1281 Y C 1.000 176.796 175.900 -0.172 0.000 1.179 1281 Y CA -0.260 57.754 58.100 -0.144 0.000 1.242 1281 Y CB -0.061 38.387 38.460 -0.021 0.000 1.126 1281 Y HN -0.021 nan 8.280 nan 0.000 0.524 1282 S N -0.970 114.653 115.700 -0.130 0.000 2.652 1282 S HA 0.070 4.540 4.470 -0.000 0.000 0.270 1282 S C 1.223 175.754 174.600 -0.115 0.000 1.243 1282 S CA -0.696 57.454 58.200 -0.085 0.000 0.999 1282 S CB 1.567 64.750 63.200 -0.028 0.000 0.973 1282 S HN 0.461 nan 8.310 nan 0.000 0.544 1283 E N 0.353 120.527 120.200 -0.043 0.000 2.150 1283 E HA -0.211 4.139 4.350 -0.000 0.000 0.193 1283 E C 1.789 178.370 176.600 -0.031 0.000 0.985 1283 E CA 1.112 57.491 56.400 -0.035 0.000 0.814 1283 E CB -0.161 29.538 29.700 -0.002 0.000 0.752 1283 E HN 0.889 nan 8.360 nan 0.000 0.466 1284 E N 0.567 120.778 120.200 0.018 0.000 2.160 1284 E HA -0.189 4.161 4.350 -0.000 0.000 0.195 1284 E C 0.921 177.546 176.600 0.042 0.000 0.991 1284 E CA 0.598 57.063 56.400 0.109 0.000 0.810 1284 E CB 0.052 29.942 29.700 0.317 0.000 0.742 1284 E HN 0.046 nan 8.360 nan 0.000 0.466 1285 N N 0.000 118.553 118.700 -0.244 0.000 1.763 1285 N HA 0.000 4.740 4.740 -0.000 0.000 0.220 1285 N CA 0.000 52.810 53.050 -0.400 0.000 0.885 1285 N CB 0.000 37.895 38.487 -0.987 0.000 1.341 1285 N HN 0.000 nan 8.380 nan 0.000 0.667