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 1t70_1_D DATA FIRST_RESID 901 DATA SEQUENCE MRVLFIGDVF GQPGRRVLQN HLPTIRPQFD FVIVNMENSA GGFGMHRDAA DATA SEQUENCE RGALEAGAGC LTLGNHAWHH KDIYPMLSED TYPIVRPLNY ADPGTPGVGW DATA SEQUENCE RTFDVNGEKL TVVNLLGRVF MEAVDNPFRT MDALLERDDL GTVFVDFHAE DATA SEQUENCE ATSEKEAMGW HLAGRVAAVI GTHTHVPTAD TRILKGGTAY QTDAGFTGPH DATA SEQUENCE DSIIGSAIEG PLQRFLTERP HRYGVAEGRA ELNGVALHFE GGKATAAERY DATA SEQUENCE RFIED 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 901 M HA 0.000 nan 4.480 nan 0.000 0.227 901 M C 0.000 176.507 176.300 0.345 0.000 1.140 901 M CA 0.000 55.495 55.300 0.324 0.000 0.988 901 M CB 0.000 32.756 32.600 0.260 0.000 1.302 902 R N 1.806 122.457 120.500 0.251 0.000 2.310 902 R HA 0.640 4.980 4.340 -0.001 0.000 0.324 902 R C -0.509 175.961 176.300 0.284 0.000 0.955 902 R CA -0.313 55.901 56.100 0.190 0.000 0.830 902 R CB 2.356 32.710 30.300 0.091 0.000 1.154 902 R HN 0.202 nan 8.270 nan 0.000 0.458 903 V N 1.918 121.930 119.914 0.164 0.000 2.789 903 V HA 0.621 4.740 4.120 -0.001 0.000 0.311 903 V C -1.398 174.563 176.094 -0.222 0.000 1.073 903 V CA -1.111 61.251 62.300 0.103 0.000 0.921 903 V CB 1.970 33.965 31.823 0.285 0.000 1.009 903 V HN 0.588 nan 8.190 nan 0.000 0.426 904 L N 5.432 126.320 121.223 -0.558 0.000 2.307 904 L HA 0.738 5.077 4.340 -0.001 0.000 0.284 904 L C -1.054 175.645 176.870 -0.285 0.000 1.023 904 L CA -0.434 53.945 54.840 -0.769 0.000 0.810 904 L CB 1.448 42.640 42.059 -1.445 0.000 1.231 904 L HN 0.825 nan 8.230 nan 0.000 0.423 905 F N 6.138 125.954 119.950 -0.224 0.000 2.449 905 F HA 0.641 5.167 4.527 -0.001 0.000 0.342 905 F C -0.817 174.958 175.800 -0.041 0.000 1.127 905 F CA -0.639 57.299 58.000 -0.102 0.000 0.975 905 F CB 0.885 39.951 39.000 0.112 0.000 1.146 905 F HN 0.337 nan 8.300 nan 0.000 0.444 906 I N 5.663 125.730 120.570 -0.838 0.000 2.359 906 I HA 0.401 4.570 4.170 -0.001 0.000 0.294 906 I C 0.871 176.542 176.117 -0.745 0.000 0.987 906 I CA -0.778 60.176 61.300 -0.576 0.000 1.225 906 I CB 1.425 39.214 38.000 -0.351 0.000 1.366 906 I HN 0.756 nan 8.210 nan 0.000 0.466 907 G N 3.145 111.773 108.800 -0.287 0.000 2.634 907 G HA2 0.099 4.059 3.960 -0.001 0.000 0.255 907 G HA3 0.099 4.059 3.960 -0.001 0.000 0.255 907 G C -0.548 174.350 174.900 -0.004 0.000 1.205 907 G CA -0.522 44.550 45.100 -0.046 0.000 0.884 907 G HN 0.691 nan 8.290 nan 0.000 0.549 908 D N -0.403 120.101 120.400 0.173 0.000 4.812 908 D HA 0.000 4.640 4.640 -0.001 0.000 0.206 908 D C 0.585 176.913 176.300 0.046 0.000 1.283 908 D CA 0.439 54.567 54.000 0.214 0.000 0.795 908 D CB 0.029 41.126 40.800 0.494 0.000 1.274 908 D HN 0.098 nan 8.370 nan 0.000 0.710 909 V N 3.597 123.478 119.914 -0.055 0.000 2.521 909 V HA 0.036 4.155 4.120 -0.001 0.000 0.286 909 V C 0.167 176.186 176.094 -0.125 0.000 1.034 909 V CA -0.005 62.208 62.300 -0.145 0.000 1.045 909 V CB 0.117 31.847 31.823 -0.155 0.000 0.974 909 V HN 0.393 nan 8.190 nan 0.000 0.480 910 F N 5.494 125.210 119.950 -0.390 0.000 2.366 910 F HA 0.656 5.182 4.527 -0.001 0.000 0.366 910 F C 0.780 176.407 175.800 -0.288 0.000 1.096 910 F CA 0.613 58.408 58.000 -0.343 0.000 1.060 910 F CB 0.689 39.433 39.000 -0.426 0.000 1.282 910 F HN 0.842 nan 8.300 nan 0.000 0.450 911 G N 4.449 113.045 108.800 -0.340 0.000 2.692 911 G HA2 -0.325 3.635 3.960 -0.001 0.000 0.248 911 G HA3 -0.325 3.635 3.960 -0.001 0.000 0.248 911 G C 0.543 175.385 174.900 -0.096 0.000 1.340 911 G CA 0.323 45.301 45.100 -0.203 0.000 0.896 911 G HN 0.656 nan 8.290 nan 0.000 0.570 912 Q N 0.512 120.288 119.800 -0.040 0.000 2.050 912 Q HA -0.091 4.248 4.340 -0.001 0.000 0.202 912 Q C 0.045 176.029 176.000 -0.027 0.000 0.980 912 Q CA 2.285 58.076 55.803 -0.020 0.000 0.840 912 Q CB -0.576 28.166 28.738 0.007 0.000 0.898 912 Q HN 0.501 nan 8.270 nan 0.000 0.424 913 P HA -0.154 nan 4.420 nan 0.000 0.216 913 P C 1.157 178.408 177.300 -0.081 0.000 1.150 913 P CA 1.832 64.909 63.100 -0.039 0.000 0.837 913 P CB -0.308 31.371 31.700 -0.035 0.000 0.786 914 G N -0.177 108.554 108.800 -0.115 0.000 2.404 914 G HA2 -0.228 3.732 3.960 -0.001 0.000 0.215 914 G HA3 -0.228 3.732 3.960 -0.001 0.000 0.215 914 G C 1.657 176.484 174.900 -0.120 0.000 1.174 914 G CA 0.410 45.407 45.100 -0.171 0.000 0.780 914 G HN 0.194 nan 8.290 nan 0.000 0.537 915 R N -0.151 120.289 120.500 -0.099 0.000 2.096 915 R HA -0.006 4.334 4.340 -0.001 0.000 0.235 915 R C 2.624 178.895 176.300 -0.049 0.000 1.127 915 R CA 1.055 57.108 56.100 -0.078 0.000 0.968 915 R CB -0.269 29.993 30.300 -0.063 0.000 0.861 915 R HN 0.285 nan 8.270 nan 0.000 0.440 916 R N 0.985 121.464 120.500 -0.035 0.000 2.109 916 R HA -0.158 4.182 4.340 -0.001 0.000 0.227 916 R C 2.279 178.579 176.300 -0.000 0.000 1.132 916 R CA 2.430 58.522 56.100 -0.013 0.000 0.907 916 R CB -0.619 29.679 30.300 -0.004 0.000 0.825 916 R HN 0.166 nan 8.270 nan 0.000 0.432 917 V N 0.847 120.766 119.914 0.008 0.000 2.278 917 V HA -0.295 3.824 4.120 -0.001 0.000 0.251 917 V C 2.585 178.698 176.094 0.032 0.000 1.062 917 V CA 2.090 64.421 62.300 0.053 0.000 1.038 917 V CB -1.364 30.490 31.823 0.052 0.000 0.646 917 V HN 0.425 nan 8.190 nan 0.000 0.447 918 L N 0.529 121.738 121.223 -0.022 0.000 1.990 918 L HA -0.258 4.082 4.340 -0.001 0.000 0.213 918 L C 2.654 179.504 176.870 -0.032 0.000 1.072 918 L CA 2.737 57.552 54.840 -0.042 0.000 0.755 918 L CB -1.133 40.876 42.059 -0.084 0.000 0.889 918 L HN 0.514 nan 8.230 nan 0.000 0.432 919 Q N -0.729 119.051 119.800 -0.033 0.000 2.167 919 Q HA -0.149 4.190 4.340 -0.001 0.000 0.202 919 Q C 1.787 177.770 176.000 -0.029 0.000 0.970 919 Q CA 1.551 57.333 55.803 -0.035 0.000 0.855 919 Q CB 0.038 28.758 28.738 -0.031 0.000 0.911 919 Q HN 0.572 nan 8.270 nan 0.000 0.438 920 N N -0.799 117.897 118.700 -0.007 0.000 2.395 920 N HA -0.096 4.643 4.740 -0.001 0.000 0.175 920 N C 1.336 176.824 175.510 -0.036 0.000 1.029 920 N CA 0.885 53.928 53.050 -0.011 0.000 0.897 920 N CB 0.083 38.583 38.487 0.022 0.000 0.991 920 N HN 0.298 nan 8.380 nan 0.000 0.441 921 H N 0.418 119.403 119.070 -0.141 0.000 2.557 921 H HA 0.223 4.779 4.556 -0.001 0.000 0.281 921 H C 1.995 177.202 175.328 -0.202 0.000 0.990 921 H CA -0.042 55.858 56.048 -0.246 0.000 1.278 921 H CB 0.386 29.916 29.762 -0.387 0.000 1.451 921 H HN 0.045 nan 8.280 nan 0.000 0.516 922 L N 2.007 123.220 121.223 -0.015 0.000 2.012 922 L HA -0.085 4.255 4.340 -0.001 0.000 0.210 922 L C -0.627 176.164 176.870 -0.131 0.000 1.073 922 L CA 1.359 56.163 54.840 -0.061 0.000 0.748 922 L CB -1.105 40.908 42.059 -0.076 0.000 0.891 922 L HN 0.237 nan 8.230 nan 0.000 0.431 923 P HA -0.176 nan 4.420 nan 0.000 0.219 923 P C 1.437 178.634 177.300 -0.172 0.000 1.146 923 P CA 2.029 65.050 63.100 -0.132 0.000 0.808 923 P CB -0.414 31.220 31.700 -0.110 0.000 0.779 924 T N -2.263 112.135 114.554 -0.260 0.000 3.035 924 T HA -0.048 4.302 4.350 -0.001 0.000 0.268 924 T C 1.692 176.221 174.700 -0.285 0.000 1.109 924 T CA 0.851 62.768 62.100 -0.305 0.000 1.119 924 T CB -1.004 67.591 68.868 -0.456 0.000 0.900 924 T HN 0.323 nan 8.240 nan 0.000 0.503 925 I N -3.914 116.502 120.570 -0.257 0.000 4.439 925 I HA 0.530 4.700 4.170 -0.001 0.000 0.331 925 I C 2.231 178.295 176.117 -0.090 0.000 1.345 925 I CA -0.738 60.448 61.300 -0.190 0.000 1.193 925 I CB 0.038 37.927 38.000 -0.186 0.000 1.221 925 I HN -0.124 nan 8.210 nan 0.000 0.429 926 R N 2.830 123.290 120.500 -0.068 0.000 2.103 926 R HA -0.082 4.258 4.340 -0.001 0.000 0.242 926 R C -0.600 175.684 176.300 -0.028 0.000 1.142 926 R CA 2.150 58.246 56.100 -0.007 0.000 0.960 926 R CB -1.888 28.372 30.300 -0.067 0.000 0.858 926 R HN 0.284 nan 8.270 nan 0.000 0.439 927 P HA -0.079 nan 4.420 nan 0.000 0.223 927 P C 0.547 177.740 177.300 -0.178 0.000 1.144 927 P CA 1.179 64.211 63.100 -0.112 0.000 0.783 927 P CB -0.094 31.538 31.700 -0.114 0.000 0.771 928 Q N -2.144 117.465 119.800 -0.318 0.000 2.403 928 Q HA 0.104 4.443 4.340 -0.001 0.000 0.203 928 Q C -0.104 175.409 176.000 -0.812 0.000 0.932 928 Q CA 0.330 55.794 55.803 -0.566 0.000 0.945 928 Q CB -0.017 28.289 28.738 -0.720 0.000 1.045 928 Q HN 0.286 nan 8.270 nan 0.000 0.511 929 F N -0.735 119.155 119.950 -0.099 0.000 2.611 929 F HA 0.266 4.792 4.527 -0.001 0.000 0.324 929 F C 0.778 176.561 175.800 -0.029 0.000 1.061 929 F CA -1.229 56.728 58.000 -0.072 0.000 0.954 929 F CB 1.289 40.237 39.000 -0.086 0.000 1.301 929 F HN -0.219 nan 8.300 nan 0.000 0.482 930 D N -0.030 120.514 120.400 0.240 0.000 2.355 930 D HA 0.083 4.723 4.640 -0.001 0.000 0.206 930 D C -0.567 175.882 176.300 0.248 0.000 1.010 930 D CA 1.072 55.185 54.000 0.189 0.000 0.875 930 D CB 0.817 41.731 40.800 0.190 0.000 0.966 930 D HN 0.213 nan 8.370 nan 0.000 0.512 931 F N 0.566 120.553 119.950 0.062 0.000 2.628 931 F HA 0.356 4.882 4.527 -0.001 0.000 0.309 931 F C -1.714 174.024 175.800 -0.103 0.000 1.108 931 F CA -0.870 57.107 58.000 -0.038 0.000 0.971 931 F CB 1.769 40.741 39.000 -0.046 0.000 1.279 931 F HN -0.420 nan 8.300 nan 0.000 0.441 932 V N 6.284 125.827 119.914 -0.618 0.000 2.531 932 V HA 0.502 4.621 4.120 -0.001 0.000 0.301 932 V C -0.377 175.426 176.094 -0.485 0.000 1.034 932 V CA -0.685 61.347 62.300 -0.446 0.000 0.865 932 V CB 1.778 33.363 31.823 -0.397 0.000 0.995 932 V HN 0.570 nan 8.190 nan 0.000 0.424 933 I N 4.831 125.262 120.570 -0.232 0.000 2.377 933 I HA 0.616 4.786 4.170 -0.001 0.000 0.293 933 I C -0.771 175.177 176.117 -0.282 0.000 0.987 933 I CA -0.788 60.434 61.300 -0.130 0.000 1.185 933 I CB 1.976 39.979 38.000 0.005 0.000 1.341 933 I HN 0.291 nan 8.210 nan 0.000 0.455 934 V N 5.367 125.142 119.914 -0.233 0.000 2.638 934 V HA 0.336 4.456 4.120 -0.001 0.000 0.306 934 V C -0.192 175.801 176.094 -0.167 0.000 1.052 934 V CA -0.844 61.272 62.300 -0.308 0.000 0.885 934 V CB 1.996 33.673 31.823 -0.243 0.000 0.999 934 V HN 0.704 nan 8.190 nan 0.000 0.424 935 N N 4.938 123.521 118.700 -0.195 0.000 2.419 935 N HA 0.313 5.053 4.740 -0.001 0.000 0.264 935 N C 0.018 175.507 175.510 -0.035 0.000 1.031 935 N CA -0.358 52.696 53.050 0.007 0.000 0.951 935 N CB 1.476 40.061 38.487 0.163 0.000 1.101 935 N HN 0.599 nan 8.380 nan 0.000 0.488 936 M N 2.580 122.153 119.600 -0.044 0.000 2.412 936 M HA 0.027 4.506 4.480 -0.001 0.000 0.315 936 M C 1.380 177.618 176.300 -0.102 0.000 1.092 936 M CA 0.008 55.249 55.300 -0.098 0.000 0.974 936 M CB -0.440 32.078 32.600 -0.137 0.000 1.437 936 M HN 0.662 nan 8.290 nan 0.000 0.524 937 E N 1.740 121.919 120.200 -0.035 0.000 2.147 937 E HA -0.213 4.137 4.350 -0.001 0.000 0.199 937 E C 0.878 177.435 176.600 -0.071 0.000 1.005 937 E CA 1.834 58.215 56.400 -0.032 0.000 0.810 937 E CB -0.085 29.642 29.700 0.045 0.000 0.736 937 E HN 0.410 nan 8.360 nan 0.000 0.460 938 N N -0.057 118.574 118.700 -0.116 0.000 2.214 938 N HA 0.124 4.863 4.740 -0.001 0.000 0.214 938 N C 0.629 175.856 175.510 -0.472 0.000 1.132 938 N CA 0.473 53.291 53.050 -0.387 0.000 0.856 938 N CB 0.706 38.931 38.487 -0.437 0.000 1.020 938 N HN 0.102 nan 8.380 nan 0.000 0.509 939 S N 1.675 117.175 115.700 -0.334 0.000 2.404 939 S HA -0.177 4.292 4.470 -0.001 0.000 0.230 939 S C 1.224 175.549 174.600 -0.457 0.000 1.046 939 S CA 1.230 59.209 58.200 -0.367 0.000 1.135 939 S CB -0.257 62.719 63.200 -0.372 0.000 1.056 939 S HN 0.525 nan 8.310 nan 0.000 0.426 940 A N 0.851 123.359 122.820 -0.522 0.000 2.475 940 A HA 0.504 4.824 4.320 -0.001 0.000 0.293 940 A C 1.357 178.827 177.584 -0.190 0.000 1.252 940 A CA 0.257 52.013 52.037 -0.469 0.000 0.920 940 A CB -1.153 17.568 19.000 -0.465 0.000 1.125 940 A HN 1.081 nan 8.150 nan 0.000 0.528 941 G N 1.484 110.199 108.800 -0.142 0.000 2.244 941 G HA2 0.052 4.011 3.960 -0.001 0.000 0.274 941 G HA3 0.052 4.011 3.960 -0.001 0.000 0.274 941 G C 1.586 176.304 174.900 -0.303 0.000 1.002 941 G CA 1.286 46.332 45.100 -0.090 0.000 0.740 941 G HN 2.663 nan 8.290 nan 0.000 0.516 942 G N -2.506 105.873 108.800 -0.703 0.000 2.194 942 G HA2 -0.109 3.850 3.960 -0.001 0.000 0.236 942 G HA3 -0.109 3.850 3.960 -0.001 0.000 0.236 942 G C 0.154 174.191 174.900 -1.438 0.000 0.987 942 G CA 0.368 44.579 45.100 -1.483 0.000 0.635 942 G HN 1.315 nan 8.290 nan 0.000 0.520 943 F N 0.922 120.604 119.950 -0.447 0.000 2.771 943 F HA 0.588 5.115 4.527 -0.001 0.000 0.365 943 F C 0.809 176.533 175.800 -0.127 0.000 1.169 943 F CA 0.156 57.932 58.000 -0.373 0.000 1.093 943 F CB 1.570 40.448 39.000 -0.202 0.000 1.363 943 F HN 1.075 nan 8.300 nan 0.000 0.496 944 G N 2.263 111.061 108.800 -0.003 0.000 2.660 944 G HA2 -0.047 3.912 3.960 -0.001 0.000 0.247 944 G HA3 -0.047 3.912 3.960 -0.001 0.000 0.247 944 G C -1.449 173.361 174.900 -0.151 0.000 1.328 944 G CA -0.619 44.494 45.100 0.022 0.000 0.884 944 G HN 0.680 nan 8.290 nan 0.000 0.531 945 M N 1.705 121.195 119.600 -0.183 0.000 2.263 945 M HA 0.543 5.022 4.480 -0.001 0.000 0.295 945 M C 0.469 176.530 176.300 -0.397 0.000 1.028 945 M CA -0.897 54.198 55.300 -0.342 0.000 0.921 945 M CB 1.179 33.617 32.600 -0.270 0.000 1.601 945 M HN 1.014 nan 8.290 nan 0.000 0.440 946 H N 2.058 120.832 119.070 -0.494 0.000 2.645 946 H HA 0.448 5.003 4.556 -0.001 0.000 0.308 946 H C 0.076 175.206 175.328 -0.330 0.000 1.495 946 H CA -0.934 54.740 56.048 -0.622 0.000 1.518 946 H CB 0.873 30.107 29.762 -0.880 0.000 1.752 946 H HN 0.783 nan 8.280 nan 0.000 0.797 947 R N -0.452 120.046 120.500 -0.003 0.000 2.115 947 R HA -0.118 4.221 4.340 -0.001 0.000 0.226 947 R C 1.142 177.451 176.300 0.015 0.000 1.100 947 R CA 1.400 57.462 56.100 -0.063 0.000 0.980 947 R CB -0.149 30.140 30.300 -0.019 0.000 0.875 947 R HN 0.599 nan 8.270 nan 0.000 0.445 948 D N 0.382 120.823 120.400 0.068 0.000 2.104 948 D HA -0.143 4.497 4.640 -0.001 0.000 0.194 948 D C 1.708 178.075 176.300 0.110 0.000 0.994 948 D CA 1.617 55.651 54.000 0.056 0.000 0.830 948 D CB -0.282 40.474 40.800 -0.073 0.000 0.959 948 D HN 0.332 nan 8.370 nan 0.000 0.452 949 A N 1.061 124.000 122.820 0.198 0.000 1.859 949 A HA -0.173 4.146 4.320 -0.001 0.000 0.217 949 A C 2.351 179.897 177.584 -0.065 0.000 1.198 949 A CA 3.039 55.051 52.037 -0.040 0.000 0.629 949 A CB -1.152 17.670 19.000 -0.297 0.000 0.830 949 A HN 0.262 nan 8.150 nan 0.000 0.446 950 A N -0.593 122.166 122.820 -0.101 0.000 1.865 950 A HA -0.233 4.087 4.320 -0.001 0.000 0.217 950 A C 2.281 179.892 177.584 0.045 0.000 1.191 950 A CA 2.125 54.107 52.037 -0.093 0.000 0.623 950 A CB -0.644 18.163 19.000 -0.321 0.000 0.826 950 A HN 0.594 nan 8.150 nan 0.000 0.444 951 R N -0.746 119.814 120.500 0.100 0.000 2.097 951 R HA -0.170 4.169 4.340 -0.001 0.000 0.236 951 R C 2.298 178.629 176.300 0.051 0.000 1.135 951 R CA 2.021 58.203 56.100 0.136 0.000 0.934 951 R CB -0.878 29.492 30.300 0.116 0.000 0.846 951 R HN 0.472 nan 8.270 nan 0.000 0.431 952 G N -0.396 108.416 108.800 0.021 0.000 2.422 952 G HA2 -0.258 3.702 3.960 -0.001 0.000 0.218 952 G HA3 -0.258 3.702 3.960 -0.001 0.000 0.218 952 G C 1.504 176.386 174.900 -0.031 0.000 1.146 952 G CA 0.812 45.907 45.100 -0.007 0.000 0.769 952 G HN 0.529 nan 8.290 nan 0.000 0.547 953 A N 0.724 123.519 122.820 -0.042 0.000 1.877 953 A HA 0.093 4.412 4.320 -0.001 0.000 0.216 953 A C 2.431 179.969 177.584 -0.077 0.000 1.186 953 A CA 1.323 53.316 52.037 -0.073 0.000 0.620 953 A CB -0.449 18.498 19.000 -0.089 0.000 0.822 953 A HN 0.344 nan 8.150 nan 0.000 0.443 954 L N -0.982 120.215 121.223 -0.043 0.000 2.093 954 L HA -0.164 4.175 4.340 -0.001 0.000 0.208 954 L C 2.592 179.426 176.870 -0.060 0.000 1.085 954 L CA 1.597 56.406 54.840 -0.052 0.000 0.755 954 L CB -0.489 41.575 42.059 0.008 0.000 0.904 954 L HN 0.411 nan 8.230 nan 0.000 0.435 955 E N 0.737 120.914 120.200 -0.038 0.000 2.110 955 E HA -0.176 4.173 4.350 -0.001 0.000 0.193 955 E C 2.104 178.668 176.600 -0.059 0.000 0.988 955 E CA 1.343 57.719 56.400 -0.041 0.000 0.804 955 E CB -0.052 29.633 29.700 -0.025 0.000 0.745 955 E HN 0.377 nan 8.360 nan 0.000 0.458 956 A N -1.120 121.659 122.820 -0.068 0.000 2.119 956 A HA 0.284 4.603 4.320 -0.001 0.000 0.216 956 A C 1.798 179.320 177.584 -0.102 0.000 1.152 956 A CA 1.272 53.261 52.037 -0.080 0.000 0.708 956 A CB -0.195 18.758 19.000 -0.079 0.000 0.805 956 A HN 0.455 nan 8.150 nan 0.000 0.460 957 G N -2.844 105.882 108.800 -0.123 0.000 2.370 957 G HA2 0.265 4.224 3.960 -0.001 0.000 0.174 957 G HA3 0.265 4.224 3.960 -0.001 0.000 0.174 957 G C 0.310 175.070 174.900 -0.235 0.000 1.002 957 G CA -0.016 44.990 45.100 -0.155 0.000 0.730 957 G HN 1.302 nan 8.290 nan 0.000 0.497 958 A N 0.658 123.338 122.820 -0.233 0.000 2.488 958 A HA 0.629 4.949 4.320 -0.001 0.000 0.249 958 A C 1.536 178.875 177.584 -0.409 0.000 1.083 958 A CA 1.349 53.197 52.037 -0.315 0.000 0.768 958 A CB 0.756 19.621 19.000 -0.225 0.000 1.017 958 A HN 1.363 nan 8.150 nan 0.000 0.496 959 G N 0.157 108.517 108.800 -0.734 0.000 2.833 959 G HA2 0.316 4.275 3.960 -0.001 0.000 0.210 959 G HA3 0.316 4.275 3.960 -0.001 0.000 0.210 959 G C 0.258 174.790 174.900 -0.612 0.000 1.139 959 G CA 0.916 45.438 45.100 -0.963 0.000 0.771 959 G HN 1.075 nan 8.290 nan 0.000 0.535 960 C N 0.321 119.377 119.300 -0.407 0.000 2.891 960 C HA 0.728 5.187 4.460 -0.001 0.000 0.342 960 C C -1.925 173.061 174.990 -0.008 0.000 1.126 960 C CA -1.040 57.949 59.018 -0.047 0.000 1.322 960 C CB 0.845 28.672 27.740 0.145 0.000 1.763 960 C HN 0.032 nan 8.230 nan 0.000 0.491 961 L N 5.284 126.543 121.223 0.061 0.000 2.298 961 L HA 0.658 4.997 4.340 -0.001 0.000 0.284 961 L C 0.857 177.768 176.870 0.069 0.000 1.013 961 L CA 0.268 55.121 54.840 0.022 0.000 0.824 961 L CB 1.672 43.723 42.059 -0.013 0.000 1.221 961 L HN 0.909 nan 8.230 nan 0.000 0.418 962 T N 1.007 115.613 114.554 0.086 0.000 2.945 962 T HA 0.900 5.250 4.350 -0.001 0.000 0.286 962 T C 0.401 175.127 174.700 0.042 0.000 1.025 962 T CA -0.640 61.533 62.100 0.121 0.000 1.039 962 T CB 1.688 70.711 68.868 0.259 0.000 1.068 962 T HN 0.328 nan 8.240 nan 0.000 0.497 963 L N 0.503 121.717 121.223 -0.015 0.000 2.974 963 L HA 0.885 5.224 4.340 -0.001 0.000 0.223 963 L C 1.192 177.912 176.870 -0.250 0.000 1.936 963 L CA -0.604 54.161 54.840 -0.124 0.000 2.503 963 L CB -0.067 41.864 42.059 -0.212 0.000 2.405 963 L HN 1.083 nan 8.230 nan 0.000 0.621 964 G N -0.760 107.848 108.800 -0.320 0.000 2.225 964 G HA2 -0.172 3.788 3.960 -0.001 0.000 0.203 964 G HA3 -0.172 3.788 3.960 -0.001 0.000 0.203 964 G C 0.061 174.767 174.900 -0.323 0.000 1.335 964 G CA 0.147 44.985 45.100 -0.437 0.000 1.183 964 G HN 0.443 nan 8.290 nan 0.000 0.488 965 N N 0.106 118.595 118.700 -0.351 0.000 1.870 965 N HA -0.291 4.448 4.740 -0.001 0.000 0.142 965 N C 1.447 176.871 175.510 -0.142 0.000 0.637 965 N CA 2.727 55.687 53.050 -0.149 0.000 0.828 965 N CB -0.663 37.808 38.487 -0.026 0.000 0.846 965 N HN 0.678 nan 8.380 nan 0.000 1.221 966 H N 0.145 119.207 119.070 -0.013 0.000 2.645 966 H HA 0.386 4.941 4.556 -0.001 0.000 0.300 966 H C 1.492 176.799 175.328 -0.035 0.000 1.065 966 H CA 0.339 56.338 56.048 -0.082 0.000 1.173 966 H CB -0.108 29.501 29.762 -0.255 0.000 1.383 966 H HN 0.428 nan 8.280 nan 0.000 0.566 967 A N 0.153 122.881 122.820 -0.153 0.000 1.986 967 A HA -0.198 4.122 4.320 -0.001 0.000 0.220 967 A C 0.947 178.148 177.584 -0.638 0.000 1.171 967 A CA 1.326 53.028 52.037 -0.559 0.000 0.640 967 A CB -0.490 17.918 19.000 -0.988 0.000 0.811 967 A HN 0.664 nan 8.150 nan 0.000 0.451 968 W N -2.113 119.268 121.300 0.135 0.000 3.132 968 W HA 0.308 4.968 4.660 -0.001 0.000 0.364 968 W C 1.501 178.093 176.519 0.122 0.000 1.129 968 W CA -0.285 57.065 57.345 0.008 0.000 1.815 968 W CB -0.301 29.133 29.460 -0.043 0.000 1.099 968 W HN 0.405 nan 8.180 nan 0.000 0.605 969 H N -0.906 118.304 119.070 0.233 0.000 2.524 969 H HA -0.047 4.508 4.556 -0.001 0.000 0.282 969 H C 0.278 175.723 175.328 0.195 0.000 1.016 969 H CA 1.038 57.224 56.048 0.230 0.000 1.270 969 H CB 0.336 30.272 29.762 0.290 0.000 1.394 969 H HN 0.027 nan 8.280 nan 0.000 0.568 970 H N 1.549 120.736 119.070 0.195 0.000 2.505 970 H HA 0.040 4.596 4.556 -0.001 0.000 0.338 970 H C 0.997 176.402 175.328 0.127 0.000 1.057 970 H CA -0.500 55.630 56.048 0.138 0.000 1.202 970 H CB 1.433 31.253 29.762 0.095 0.000 1.466 970 H HN 0.112 nan 8.280 nan 0.000 0.499 971 K N 3.423 123.790 120.400 -0.055 0.000 2.281 971 K HA -0.145 4.174 4.320 -0.001 0.000 0.203 971 K C 0.294 177.057 176.600 0.272 0.000 1.046 971 K CA 1.235 57.619 56.287 0.162 0.000 0.938 971 K CB 0.038 32.570 32.500 0.053 0.000 0.737 971 K HN 0.422 nan 8.250 nan 0.000 0.458 972 D N 1.429 122.094 120.400 0.443 0.000 2.218 972 D HA -0.069 4.570 4.640 -0.001 0.000 0.204 972 D C 1.980 178.369 176.300 0.147 0.000 0.976 972 D CA 0.952 55.134 54.000 0.303 0.000 0.853 972 D CB -0.215 40.753 40.800 0.281 0.000 0.939 972 D HN 0.359 nan 8.370 nan 0.000 0.481 973 I N -0.141 120.485 120.570 0.094 0.000 2.208 973 I HA -0.316 3.854 4.170 -0.001 0.000 0.245 973 I C 1.935 178.048 176.117 -0.006 0.000 1.097 973 I CA 1.006 62.272 61.300 -0.056 0.000 1.363 973 I CB -0.434 37.452 38.000 -0.189 0.000 1.051 973 I HN -0.005 nan 8.210 nan 0.000 0.413 974 Y N 0.968 121.378 120.300 0.183 0.000 2.114 974 Y HA -0.165 4.385 4.550 -0.001 0.000 0.282 974 Y C -0.013 175.957 175.900 0.118 0.000 1.165 974 Y CA 1.493 59.693 58.100 0.166 0.000 1.148 974 Y CB -2.368 36.167 38.460 0.125 0.000 0.972 974 Y HN 0.250 nan 8.280 nan 0.000 0.504 975 P HA -0.141 nan 4.420 nan 0.000 0.218 975 P C 1.449 178.841 177.300 0.152 0.000 1.152 975 P CA 1.709 64.913 63.100 0.173 0.000 0.826 975 P CB -0.118 31.670 31.700 0.148 0.000 0.790 976 M N -0.591 119.079 119.600 0.117 0.000 2.065 976 M HA -0.120 4.359 4.480 -0.001 0.000 0.259 976 M C 2.428 178.817 176.300 0.149 0.000 1.069 976 M CA 1.829 57.193 55.300 0.106 0.000 1.110 976 M CB -1.031 31.497 32.600 -0.119 0.000 1.328 976 M HN -0.135 nan 8.290 nan 0.000 0.405 977 L N -0.857 120.434 121.223 0.113 0.000 2.191 977 L HA -0.177 4.163 4.340 -0.001 0.000 0.212 977 L C 2.744 179.695 176.870 0.134 0.000 1.103 977 L CA 0.815 55.730 54.840 0.125 0.000 0.769 977 L CB -0.581 41.567 42.059 0.147 0.000 0.908 977 L HN 0.350 nan 8.230 nan 0.000 0.438 978 S N 0.392 116.180 115.700 0.146 0.000 2.335 978 S HA -0.203 4.267 4.470 -0.001 0.000 0.217 978 S C 1.838 176.499 174.600 0.101 0.000 1.032 978 S CA 1.472 59.746 58.200 0.123 0.000 0.985 978 S CB -0.122 63.154 63.200 0.127 0.000 0.896 978 S HN 0.641 nan 8.310 nan 0.000 0.445 979 E N 0.649 120.918 120.200 0.114 0.000 2.409 979 E HA -0.112 4.238 4.350 -0.001 0.000 0.198 979 E C 0.164 176.814 176.600 0.083 0.000 1.024 979 E CA 0.923 57.380 56.400 0.094 0.000 0.861 979 E CB -0.611 29.154 29.700 0.108 0.000 0.788 979 E HN 0.484 nan 8.360 nan 0.000 0.521 980 D N 0.713 121.176 120.400 0.104 0.000 2.803 980 D HA -0.181 4.458 4.640 -0.001 0.000 0.233 980 D C 0.321 176.657 176.300 0.058 0.000 1.182 980 D CA 1.436 55.486 54.000 0.084 0.000 0.726 980 D CB -0.896 39.932 40.800 0.047 0.000 0.987 980 D HN 0.470 nan 8.370 nan 0.000 0.412 981 T N -2.761 111.836 114.554 0.072 0.000 2.989 981 T HA 0.143 4.492 4.350 -0.001 0.000 0.250 981 T C 0.828 175.471 174.700 -0.095 0.000 0.981 981 T CA -0.166 61.898 62.100 -0.059 0.000 0.980 981 T CB -0.112 68.643 68.868 -0.187 0.000 1.133 981 T HN 0.202 nan 8.240 nan 0.000 0.489 982 Y N 3.295 123.614 120.300 0.030 0.000 2.301 982 Y HA 0.457 5.007 4.550 -0.001 0.000 0.325 982 Y C -2.185 173.749 175.900 0.057 0.000 1.203 982 Y CA -2.596 55.523 58.100 0.033 0.000 1.255 982 Y CB 0.471 38.941 38.460 0.017 0.000 1.232 982 Y HN -0.008 nan 8.280 nan 0.000 0.501 983 P HA 0.224 nan 4.420 nan 0.000 0.231 983 P C -0.725 176.713 177.300 0.230 0.000 1.811 983 P CA 0.450 63.710 63.100 0.267 0.000 1.051 983 P CB -0.267 31.626 31.700 0.321 0.000 1.951 984 I N 1.775 122.446 120.570 0.167 0.000 2.392 984 I HA 0.381 4.550 4.170 -0.001 0.000 0.295 984 I C 0.171 176.342 176.117 0.090 0.000 0.985 984 I CA -1.085 60.276 61.300 0.101 0.000 1.221 984 I CB 2.252 40.274 38.000 0.036 0.000 1.366 984 I HN -0.062 nan 8.210 nan 0.000 0.467 985 V N 5.576 125.545 119.914 0.090 0.000 2.656 985 V HA 0.586 4.706 4.120 -0.001 0.000 0.307 985 V C -0.468 175.659 176.094 0.055 0.000 1.051 985 V CA -0.741 61.617 62.300 0.097 0.000 0.893 985 V CB 2.044 33.971 31.823 0.173 0.000 0.999 985 V HN 0.862 nan 8.190 nan 0.000 0.426 986 R N 3.885 124.423 120.500 0.065 0.000 2.912 986 R HA 0.782 5.122 4.340 -0.001 0.000 0.262 986 R C -3.196 173.180 176.300 0.127 0.000 1.057 986 R CA -2.554 53.565 56.100 0.032 0.000 0.981 986 R CB -0.192 30.081 30.300 -0.046 0.000 1.201 986 R HN 0.326 nan 8.270 nan 0.000 0.484 987 P HA -0.095 nan 4.420 nan 0.000 0.260 987 P C 0.089 177.456 177.300 0.113 0.000 1.172 987 P CA 0.090 63.199 63.100 0.015 0.000 0.760 987 P CB 0.344 31.869 31.700 -0.292 0.000 0.773 988 L N 4.883 126.171 121.223 0.108 0.000 2.095 988 L HA -0.069 4.271 4.340 -0.001 0.000 0.204 988 L C 1.471 178.411 176.870 0.117 0.000 1.080 988 L CA 1.521 56.461 54.840 0.167 0.000 0.759 988 L CB -0.896 41.266 42.059 0.170 0.000 0.914 988 L HN 0.321 nan 8.230 nan 0.000 0.439 989 N N -1.028 117.680 118.700 0.013 0.000 2.586 989 N HA -0.178 4.562 4.740 -0.001 0.000 0.206 989 N C -0.816 174.691 175.510 -0.005 0.000 1.377 989 N CA 0.081 53.131 53.050 -0.001 0.000 0.871 989 N CB -0.965 37.508 38.487 -0.025 0.000 1.107 989 N HN 0.271 nan 8.380 nan 0.000 0.462 990 Y N 0.667 121.050 120.300 0.138 0.000 2.452 990 Y HA 0.406 4.955 4.550 -0.001 0.000 0.348 990 Y C 1.424 177.385 175.900 0.102 0.000 0.985 990 Y CA -1.145 57.036 58.100 0.136 0.000 1.214 990 Y CB 1.146 39.723 38.460 0.194 0.000 1.136 990 Y HN 0.187 nan 8.280 nan 0.000 0.523 991 A N 2.360 125.324 122.820 0.241 0.000 1.930 991 A HA -0.156 4.164 4.320 -0.001 0.000 0.217 991 A C 0.854 178.509 177.584 0.119 0.000 1.175 991 A CA 0.857 52.984 52.037 0.149 0.000 0.627 991 A CB -0.578 18.488 19.000 0.111 0.000 0.815 991 A HN 0.764 nan 8.150 nan 0.000 0.443 992 D N -0.051 120.411 120.400 0.104 0.000 2.570 992 D HA 0.104 4.743 4.640 -0.001 0.000 0.243 992 D C -1.694 174.640 176.300 0.056 0.000 1.171 992 D CA -0.841 53.187 54.000 0.045 0.000 0.879 992 D CB 0.755 41.545 40.800 -0.018 0.000 1.143 992 D HN 0.087 nan 8.370 nan 0.000 0.511 993 P HA 0.018 nan 4.420 nan 0.000 0.225 993 P C 0.921 178.247 177.300 0.043 0.000 1.148 993 P CA 0.691 63.823 63.100 0.054 0.000 0.779 993 P CB 0.379 32.104 31.700 0.043 0.000 0.780 994 G N -1.088 107.722 108.800 0.016 0.000 3.189 994 G HA2 -0.005 3.955 3.960 -0.001 0.000 0.225 994 G HA3 -0.005 3.955 3.960 -0.001 0.000 0.225 994 G C 0.175 175.069 174.900 -0.010 0.000 1.159 994 G CA -0.021 45.081 45.100 0.002 0.000 0.763 994 G HN 0.242 nan 8.290 nan 0.000 0.549 995 T N 1.320 115.871 114.554 -0.004 0.000 2.871 995 T HA 0.317 4.666 4.350 -0.001 0.000 0.296 995 T C -2.398 172.347 174.700 0.076 0.000 0.998 995 T CA -1.184 60.895 62.100 -0.034 0.000 1.162 995 T CB 1.152 70.038 68.868 0.029 0.000 0.947 995 T HN -0.081 nan 8.240 nan 0.000 0.536 996 P HA 0.406 nan 4.420 nan 0.000 0.267 996 P C 1.080 178.554 177.300 0.290 0.000 1.200 996 P CA 1.025 64.255 63.100 0.215 0.000 0.772 996 P CB -0.002 31.882 31.700 0.308 0.000 0.855 997 G N 0.603 109.515 108.800 0.187 0.000 2.697 997 G HA2 -0.016 3.943 3.960 -0.001 0.000 0.240 997 G HA3 -0.016 3.943 3.960 -0.001 0.000 0.240 997 G C -0.422 174.539 174.900 0.103 0.000 1.346 997 G CA -0.247 44.934 45.100 0.134 0.000 0.887 997 G HN 0.771 nan 8.290 nan 0.000 0.569 998 V N -3.089 116.851 119.914 0.043 0.000 3.046 998 V HA 0.934 5.054 4.120 -0.001 0.000 0.316 998 V C 1.155 177.291 176.094 0.070 0.000 1.104 998 V CA 0.432 62.724 62.300 -0.013 0.000 1.006 998 V CB 1.569 33.233 31.823 -0.265 0.000 1.058 998 V HN 2.227 nan 8.190 nan 0.000 0.440 999 G N 0.934 109.829 108.800 0.158 0.000 3.233 999 G HA2 0.401 4.360 3.960 -0.001 0.000 0.234 999 G HA3 0.401 4.360 3.960 -0.001 0.000 0.234 999 G C 0.009 175.127 174.900 0.363 0.000 1.137 999 G CA 0.277 45.537 45.100 0.266 0.000 0.763 999 G HN 1.099 nan 8.290 nan 0.000 0.549 1000 W N -0.810 120.524 121.300 0.057 0.000 3.464 1000 W HA 0.705 5.364 4.660 -0.001 0.000 0.292 1000 W C -1.650 174.849 176.519 -0.034 0.000 1.262 1000 W CA -1.583 55.779 57.345 0.029 0.000 1.202 1000 W CB 0.430 29.898 29.460 0.012 0.000 1.334 1000 W HN -0.160 nan 8.180 nan 0.000 0.561 1001 R N 1.618 122.071 120.500 -0.077 0.000 2.626 1001 R HA 0.537 4.877 4.340 -0.001 0.000 0.274 1001 R C -0.544 175.475 176.300 -0.469 0.000 1.031 1001 R CA -0.606 55.212 56.100 -0.469 0.000 0.898 1001 R CB 2.635 32.583 30.300 -0.587 0.000 1.222 1001 R HN 0.532 nan 8.270 nan 0.000 0.455 1002 T N -0.315 113.962 114.554 -0.461 0.000 2.797 1002 T HA 0.683 5.033 4.350 -0.001 0.000 0.279 1002 T C -0.478 173.918 174.700 -0.507 0.000 0.991 1002 T CA -0.516 61.399 62.100 -0.309 0.000 0.979 1002 T CB 0.592 69.459 68.868 -0.001 0.000 0.943 1002 T HN 0.259 nan 8.240 nan 0.000 0.444 1003 F N 0.555 120.473 119.950 -0.053 0.000 2.594 1003 F HA 0.590 5.117 4.527 -0.001 0.000 0.335 1003 F C 0.075 175.839 175.800 -0.060 0.000 1.058 1003 F CA -1.300 56.667 58.000 -0.056 0.000 0.981 1003 F CB 1.316 40.237 39.000 -0.131 0.000 1.289 1003 F HN 0.417 nan 8.300 nan 0.000 0.490 1004 D N 0.709 121.230 120.400 0.202 0.000 2.373 1004 D HA 0.408 5.047 4.640 -0.001 0.000 0.227 1004 D C 0.521 176.897 176.300 0.127 0.000 1.091 1004 D CA -0.042 54.030 54.000 0.119 0.000 0.840 1004 D CB 1.896 42.757 40.800 0.101 0.000 1.060 1004 D HN 0.201 nan 8.370 nan 0.000 0.502 1005 V N 2.528 122.495 119.914 0.087 0.000 2.581 1005 V HA 0.101 4.220 4.120 -0.001 0.000 0.240 1005 V C 0.670 176.831 176.094 0.111 0.000 1.054 1005 V CA 0.612 62.980 62.300 0.114 0.000 1.076 1005 V CB 0.043 31.916 31.823 0.085 0.000 0.748 1005 V HN 0.509 nan 8.190 nan 0.000 0.474 1006 N N -0.423 118.331 118.700 0.089 0.000 2.639 1006 N HA 0.285 5.024 4.740 -0.001 0.000 0.265 1006 N C 0.755 176.302 175.510 0.062 0.000 1.689 1006 N CA 0.793 53.889 53.050 0.077 0.000 0.813 1006 N CB 1.186 39.723 38.487 0.083 0.000 1.353 1006 N HN 0.468 nan 8.380 nan 0.000 0.510 1007 G N 0.661 109.496 108.800 0.057 0.000 2.184 1007 G HA2 -0.273 3.686 3.960 -0.001 0.000 0.264 1007 G HA3 -0.273 3.686 3.960 -0.001 0.000 0.264 1007 G C 0.007 174.932 174.900 0.043 0.000 0.975 1007 G CA 0.315 45.442 45.100 0.046 0.000 0.642 1007 G HN 0.442 nan 8.290 nan 0.000 0.536 1008 E N -0.146 120.083 120.200 0.049 0.000 2.244 1008 E HA 0.504 4.853 4.350 -0.001 0.000 0.266 1008 E C -0.233 176.387 176.600 0.033 0.000 0.914 1008 E CA -0.881 55.544 56.400 0.040 0.000 0.794 1008 E CB 1.199 30.928 29.700 0.049 0.000 1.210 1008 E HN 0.222 nan 8.360 nan 0.000 0.414 1009 K N 1.814 122.225 120.400 0.019 0.000 2.258 1009 K HA 0.299 4.619 4.320 -0.001 0.000 0.284 1009 K C -0.869 175.725 176.600 -0.010 0.000 1.051 1009 K CA -0.504 55.790 56.287 0.012 0.000 0.923 1009 K CB 0.712 33.217 32.500 0.009 0.000 1.046 1009 K HN 0.120 nan 8.250 nan 0.000 0.474 1010 L N 2.789 124.005 121.223 -0.011 0.000 2.342 1010 L HA 0.317 4.657 4.340 -0.001 0.000 0.276 1010 L C -1.032 175.857 176.870 0.031 0.000 0.997 1010 L CA 0.089 54.899 54.840 -0.049 0.000 0.838 1010 L CB 1.732 43.681 42.059 -0.183 0.000 1.224 1010 L HN 0.479 nan 8.230 nan 0.000 0.416 1011 T N 4.444 119.018 114.554 0.033 0.000 2.795 1011 T HA 0.618 4.968 4.350 -0.001 0.000 0.282 1011 T C -0.541 174.267 174.700 0.180 0.000 0.980 1011 T CA -0.352 61.811 62.100 0.103 0.000 1.012 1011 T CB 1.438 70.362 68.868 0.094 0.000 0.936 1011 T HN 0.325 nan 8.240 nan 0.000 0.457 1012 V N 4.061 124.142 119.914 0.278 0.000 2.448 1012 V HA 0.579 4.699 4.120 -0.001 0.000 0.295 1012 V C -0.141 176.158 176.094 0.342 0.000 1.025 1012 V CA -0.744 61.770 62.300 0.357 0.000 0.859 1012 V CB 1.693 33.766 31.823 0.417 0.000 0.988 1012 V HN 0.656 nan 8.190 nan 0.000 0.431 1013 V N 4.787 124.890 119.914 0.315 0.000 2.628 1013 V HA 0.658 4.778 4.120 -0.001 0.000 0.306 1013 V C -0.599 175.642 176.094 0.245 0.000 1.045 1013 V CA -0.501 61.959 62.300 0.267 0.000 0.905 1013 V CB 2.269 34.191 31.823 0.166 0.000 0.997 1013 V HN 0.949 nan 8.190 nan 0.000 0.436 1014 N N 4.770 123.602 118.700 0.220 0.000 2.362 1014 N HA 0.701 5.440 4.740 -0.001 0.000 0.298 1014 N C -1.407 174.190 175.510 0.146 0.000 1.048 1014 N CA -0.332 52.832 53.050 0.191 0.000 0.858 1014 N CB 1.438 40.022 38.487 0.161 0.000 1.218 1014 N HN 0.734 nan 8.380 nan 0.000 0.488 1015 L N 2.006 123.328 121.223 0.165 0.000 2.424 1015 L HA 0.537 4.876 4.340 -0.001 0.000 0.258 1015 L C -1.080 175.881 176.870 0.151 0.000 0.995 1015 L CA -0.860 54.081 54.840 0.168 0.000 0.821 1015 L CB 2.256 44.465 42.059 0.250 0.000 1.383 1015 L HN 0.327 nan 8.230 nan 0.000 0.410 1016 L N 0.896 122.145 121.223 0.043 0.000 2.341 1016 L HA 0.609 4.948 4.340 -0.001 0.000 0.278 1016 L C 0.441 177.248 176.870 -0.104 0.000 1.005 1016 L CA -0.427 54.358 54.840 -0.091 0.000 0.818 1016 L CB 1.969 43.918 42.059 -0.184 0.000 1.259 1016 L HN 0.690 nan 8.230 nan 0.000 0.418 1017 G N 1.662 110.251 108.800 -0.352 0.000 2.580 1017 G HA2 0.416 4.376 3.960 -0.001 0.000 0.278 1017 G HA3 0.416 4.376 3.960 -0.001 0.000 0.278 1017 G C 0.341 175.171 174.900 -0.117 0.000 1.212 1017 G CA -0.261 44.666 45.100 -0.288 0.000 0.939 1017 G HN 0.758 nan 8.290 nan 0.000 0.513 1018 R N -1.557 118.919 120.500 -0.040 0.000 2.492 1018 R HA 0.163 4.502 4.340 -0.001 0.000 0.219 1018 R C 0.289 176.560 176.300 -0.049 0.000 0.886 1018 R CA -0.270 55.817 56.100 -0.021 0.000 1.003 1018 R CB 0.474 30.787 30.300 0.021 0.000 1.345 1018 R HN 0.308 nan 8.270 nan 0.000 0.631 1019 V N 3.833 123.688 119.914 -0.099 0.000 2.557 1019 V HA -0.066 4.054 4.120 -0.001 0.000 0.301 1019 V C 0.067 176.038 176.094 -0.206 0.000 1.026 1019 V CA 0.795 62.920 62.300 -0.292 0.000 1.137 1019 V CB -0.461 31.106 31.823 -0.426 0.000 0.917 1019 V HN 0.404 nan 8.190 nan 0.000 0.484 1020 F N 1.465 121.430 119.950 0.024 0.000 2.988 1020 F HA -0.231 4.296 4.527 -0.001 0.000 0.287 1020 F C 0.214 176.026 175.800 0.019 0.000 0.781 1020 F CA 0.716 58.733 58.000 0.028 0.000 1.221 1020 F CB -2.113 36.906 39.000 0.033 0.000 1.392 1020 F HN 0.451 nan 8.300 nan 0.000 0.425 1021 M N -1.318 118.356 119.600 0.123 0.000 2.779 1021 M HA 0.329 4.808 4.480 -0.001 0.000 0.277 1021 M C 0.261 176.597 176.300 0.060 0.000 1.284 1021 M CA -0.946 54.396 55.300 0.070 0.000 0.801 1021 M CB 2.138 34.730 32.600 -0.014 0.000 1.712 1021 M HN 0.066 nan 8.290 nan 0.000 0.453 1022 E N 1.014 121.251 120.200 0.061 0.000 2.392 1022 E HA 0.374 4.724 4.350 -0.001 0.000 0.264 1022 E C -0.813 175.825 176.600 0.064 0.000 1.024 1022 E CA -0.303 56.143 56.400 0.077 0.000 0.903 1022 E CB 1.010 30.775 29.700 0.108 0.000 0.963 1022 E HN 0.620 nan 8.360 nan 0.000 0.432 1023 A N 4.165 127.026 122.820 0.068 0.000 2.404 1023 A HA 0.409 4.729 4.320 -0.001 0.000 0.273 1023 A C 0.022 177.654 177.584 0.079 0.000 1.144 1023 A CA -0.192 51.882 52.037 0.061 0.000 0.806 1023 A CB -0.056 18.977 19.000 0.055 0.000 1.080 1023 A HN 0.526 nan 8.150 nan 0.000 0.509 1024 V N -0.024 119.928 119.914 0.064 0.000 3.204 1024 V HA 0.605 4.725 4.120 -0.001 0.000 0.308 1024 V C -0.269 175.860 176.094 0.059 0.000 1.324 1024 V CA -1.099 61.247 62.300 0.076 0.000 1.042 1024 V CB 0.512 32.346 31.823 0.018 0.000 1.167 1024 V HN 0.600 nan 8.190 nan 0.000 0.478 1025 D N 2.004 122.438 120.400 0.056 0.000 2.368 1025 D HA 0.145 4.784 4.640 -0.001 0.000 0.240 1025 D C 0.115 176.447 176.300 0.053 0.000 1.169 1025 D CA 0.270 54.304 54.000 0.058 0.000 0.906 1025 D CB 0.189 41.027 40.800 0.064 0.000 1.187 1025 D HN 0.717 nan 8.370 nan 0.000 0.435 1026 N N 2.489 121.231 118.700 0.070 0.000 2.423 1026 N HA -0.024 4.715 4.740 -0.001 0.000 0.275 1026 N C -1.688 173.866 175.510 0.073 0.000 1.283 1026 N CA -1.147 51.965 53.050 0.105 0.000 0.932 1026 N CB 1.026 39.583 38.487 0.117 0.000 1.185 1026 N HN 0.151 nan 8.380 nan 0.000 0.483 1027 P HA -0.153 nan 4.420 nan 0.000 0.218 1027 P C 1.155 178.317 177.300 -0.231 0.000 1.148 1027 P CA 1.253 64.278 63.100 -0.124 0.000 0.822 1027 P CB 0.031 31.653 31.700 -0.131 0.000 0.784 1028 F N 0.825 120.747 119.950 -0.047 0.000 2.051 1028 F HA -0.053 4.474 4.527 -0.001 0.000 0.296 1028 F C 2.926 178.728 175.800 0.004 0.000 1.122 1028 F CA 1.452 59.380 58.000 -0.121 0.000 1.201 1028 F CB -1.227 37.581 39.000 -0.320 0.000 0.978 1028 F HN -0.258 nan 8.300 nan 0.000 0.472 1029 R N -0.393 120.216 120.500 0.181 0.000 2.189 1029 R HA -0.095 4.245 4.340 -0.001 0.000 0.223 1029 R C 2.068 178.417 176.300 0.081 0.000 1.092 1029 R CA 1.535 57.710 56.100 0.124 0.000 0.989 1029 R CB -0.698 29.654 30.300 0.085 0.000 0.876 1029 R HN 0.269 nan 8.270 nan 0.000 0.457 1030 T N 0.881 115.469 114.554 0.055 0.000 2.708 1030 T HA -0.114 4.235 4.350 -0.001 0.000 0.266 1030 T C 1.799 176.498 174.700 -0.002 0.000 1.037 1030 T CA 1.026 63.140 62.100 0.024 0.000 1.146 1030 T CB -0.006 68.870 68.868 0.012 0.000 0.865 1030 T HN 0.078 nan 8.240 nan 0.000 0.435 1031 M N 1.330 120.925 119.600 -0.008 0.000 2.175 1031 M HA -0.070 4.409 4.480 -0.001 0.000 0.264 1031 M C 1.880 178.155 176.300 -0.040 0.000 1.063 1031 M CA 1.263 56.536 55.300 -0.045 0.000 1.119 1031 M CB -1.109 31.452 32.600 -0.065 0.000 1.377 1031 M HN 0.157 nan 8.290 nan 0.000 0.415 1032 D N 0.608 121.028 120.400 0.033 0.000 2.133 1032 D HA -0.125 4.514 4.640 -0.001 0.000 0.195 1032 D C 1.918 178.199 176.300 -0.032 0.000 0.997 1032 D CA 1.757 55.764 54.000 0.011 0.000 0.840 1032 D CB -0.087 40.763 40.800 0.083 0.000 0.947 1032 D HN 0.353 nan 8.370 nan 0.000 0.452 1033 A N 0.324 123.129 122.820 -0.026 0.000 1.929 1033 A HA -0.070 4.250 4.320 -0.001 0.000 0.216 1033 A C 2.170 179.692 177.584 -0.104 0.000 1.176 1033 A CA 0.712 52.721 52.037 -0.046 0.000 0.628 1033 A CB -0.539 18.449 19.000 -0.021 0.000 0.816 1033 A HN 0.255 nan 8.150 nan 0.000 0.444 1034 L N -0.454 120.685 121.223 -0.140 0.000 2.217 1034 L HA 0.079 4.418 4.340 -0.001 0.000 0.211 1034 L C 1.730 178.443 176.870 -0.262 0.000 1.107 1034 L CA 1.242 55.924 54.840 -0.262 0.000 0.783 1034 L CB -0.216 41.667 42.059 -0.294 0.000 0.919 1034 L HN 0.350 nan 8.230 nan 0.000 0.442 1035 L N -0.524 120.592 121.223 -0.179 0.000 2.610 1035 L HA 0.002 4.342 4.340 -0.001 0.000 0.232 1035 L C 1.793 178.581 176.870 -0.136 0.000 1.149 1035 L CA 0.179 54.922 54.840 -0.162 0.000 0.872 1035 L CB -0.504 41.472 42.059 -0.138 0.000 0.992 1035 L HN 0.322 nan 8.230 nan 0.000 0.447 1036 E N 0.350 120.471 120.200 -0.131 0.000 2.442 1036 E HA 0.053 4.402 4.350 -0.001 0.000 0.195 1036 E C 0.629 177.164 176.600 -0.108 0.000 1.030 1036 E CA 0.048 56.388 56.400 -0.099 0.000 0.869 1036 E CB 0.347 30.001 29.700 -0.076 0.000 0.857 1036 E HN 0.500 nan 8.360 nan 0.000 0.505 1037 R N 1.245 121.650 120.500 -0.159 0.000 2.707 1037 R HA 0.070 4.409 4.340 -0.001 0.000 0.270 1037 R C 0.799 177.028 176.300 -0.118 0.000 1.083 1037 R CA 0.313 56.321 56.100 -0.154 0.000 1.182 1037 R CB 0.420 30.562 30.300 -0.263 0.000 1.084 1037 R HN 0.080 nan 8.270 nan 0.000 0.528 1038 D N 0.195 120.547 120.400 -0.080 0.000 2.454 1038 D HA -0.065 4.574 4.640 -0.001 0.000 0.214 1038 D C 0.127 176.401 176.300 -0.044 0.000 1.088 1038 D CA 0.245 54.211 54.000 -0.057 0.000 0.855 1038 D CB 0.249 41.028 40.800 -0.035 0.000 1.025 1038 D HN 0.547 nan 8.370 nan 0.000 0.502 1039 D N 1.313 121.692 120.400 -0.035 0.000 2.323 1039 D HA -0.012 4.628 4.640 -0.001 0.000 0.239 1039 D C 1.846 178.144 176.300 -0.003 0.000 1.129 1039 D CA -0.091 53.908 54.000 -0.002 0.000 0.865 1039 D CB -0.211 40.612 40.800 0.040 0.000 0.913 1039 D HN 0.247 nan 8.370 nan 0.000 0.517 1040 L N -0.062 121.131 121.223 -0.049 0.000 2.131 1040 L HA 0.139 4.479 4.340 -0.001 0.000 0.206 1040 L C 1.901 178.749 176.870 -0.036 0.000 1.087 1040 L CA 0.745 55.553 54.840 -0.052 0.000 0.767 1040 L CB -1.011 40.977 42.059 -0.118 0.000 0.917 1040 L HN 0.339 nan 8.230 nan 0.000 0.441 1041 G N 0.219 108.994 108.800 -0.042 0.000 2.556 1041 G HA2 -0.305 3.654 3.960 -0.001 0.000 0.283 1041 G HA3 -0.305 3.654 3.960 -0.001 0.000 0.283 1041 G C 0.096 174.954 174.900 -0.070 0.000 1.177 1041 G CA 0.090 45.165 45.100 -0.041 0.000 0.978 1041 G HN 0.193 nan 8.290 nan 0.000 0.554 1042 T N 1.287 115.788 114.554 -0.089 0.000 2.814 1042 T HA 0.492 4.841 4.350 -0.001 0.000 0.297 1042 T C 0.299 174.894 174.700 -0.175 0.000 0.956 1042 T CA 0.126 62.122 62.100 -0.173 0.000 1.123 1042 T CB 1.366 70.087 68.868 -0.243 0.000 0.902 1042 T HN 0.886 nan 8.240 nan 0.000 0.528 1043 V N 4.897 124.699 119.914 -0.187 0.000 2.398 1043 V HA 0.537 4.657 4.120 -0.001 0.000 0.286 1043 V C -0.545 175.490 176.094 -0.098 0.000 1.026 1043 V CA -0.950 61.283 62.300 -0.111 0.000 0.868 1043 V CB 1.095 32.855 31.823 -0.105 0.000 0.982 1043 V HN 0.799 nan 8.190 nan 0.000 0.443 1044 F N 5.371 125.238 119.950 -0.139 0.000 2.493 1044 F HA 0.752 5.279 4.527 -0.001 0.000 0.329 1044 F C -0.536 175.242 175.800 -0.036 0.000 1.126 1044 F CA -0.655 57.294 58.000 -0.086 0.000 0.937 1044 F CB 1.687 40.678 39.000 -0.015 0.000 1.146 1044 F HN 0.270 nan 8.300 nan 0.000 0.442 1045 V N 5.017 124.653 119.914 -0.463 0.000 2.459 1045 V HA 0.271 4.391 4.120 -0.001 0.000 0.295 1045 V C -0.910 174.972 176.094 -0.353 0.000 1.029 1045 V CA -0.703 61.450 62.300 -0.244 0.000 0.874 1045 V CB 1.578 33.268 31.823 -0.222 0.000 0.985 1045 V HN 0.660 nan 8.190 nan 0.000 0.438 1046 D N 3.958 124.381 120.400 0.038 0.000 2.473 1046 D HA 0.203 4.843 4.640 -0.001 0.000 0.226 1046 D C -0.940 175.485 176.300 0.208 0.000 1.089 1046 D CA -0.444 53.618 54.000 0.104 0.000 0.883 1046 D CB 0.631 41.645 40.800 0.356 0.000 1.029 1046 D HN 0.234 nan 8.370 nan 0.000 0.517 1047 F N 4.740 124.658 119.950 -0.053 0.000 2.375 1047 F HA 0.203 4.729 4.527 -0.001 0.000 0.362 1047 F C -0.137 175.696 175.800 0.055 0.000 1.129 1047 F CA -0.753 57.234 58.000 -0.021 0.000 1.154 1047 F CB 0.266 39.222 39.000 -0.073 0.000 1.205 1047 F HN 0.389 nan 8.300 nan 0.000 0.513 1048 H N 5.863 124.862 119.070 -0.117 0.000 2.908 1048 H HA 0.614 5.169 4.556 -0.001 0.000 0.269 1048 H C -0.941 174.121 175.328 -0.443 0.000 1.303 1048 H CA 0.036 55.987 56.048 -0.163 0.000 1.341 1048 H CB 0.285 30.018 29.762 -0.048 0.000 1.519 1048 H HN 0.761 nan 8.280 nan 0.000 0.505 1049 A N 3.563 126.059 122.820 -0.541 0.000 2.569 1049 A HA 0.306 4.625 4.320 -0.001 0.000 0.290 1049 A C 0.523 177.961 177.584 -0.243 0.000 1.136 1049 A CA -0.677 51.040 52.037 -0.533 0.000 0.710 1049 A CB 1.721 20.218 19.000 -0.837 0.000 1.303 1049 A HN 0.604 nan 8.150 nan 0.000 0.413 1050 E N 0.063 120.200 120.200 -0.106 0.000 2.175 1050 E HA 0.383 4.732 4.350 -0.001 0.000 0.195 1050 E C 0.836 177.529 176.600 0.155 0.000 0.934 1050 E CA 0.953 57.419 56.400 0.109 0.000 0.870 1050 E CB 0.155 29.982 29.700 0.213 0.000 0.838 1050 E HN 0.980 nan 8.360 nan 0.000 0.474 1051 A N 0.474 123.399 122.820 0.174 0.000 2.401 1051 A HA 0.289 4.609 4.320 -0.001 0.000 0.259 1051 A C 1.201 178.875 177.584 0.150 0.000 1.103 1051 A CA 0.419 52.584 52.037 0.212 0.000 0.789 1051 A CB 0.272 19.336 19.000 0.107 0.000 1.035 1051 A HN 0.398 nan 8.150 nan 0.000 0.491 1052 T N -0.577 114.075 114.554 0.162 0.000 2.985 1052 T HA -0.137 4.213 4.350 -0.001 0.000 0.266 1052 T C 1.878 176.684 174.700 0.176 0.000 1.076 1052 T CA 1.564 63.757 62.100 0.155 0.000 1.135 1052 T CB -0.620 68.327 68.868 0.132 0.000 0.890 1052 T HN 1.050 nan 8.240 nan 0.000 0.480 1053 S N 1.656 117.451 115.700 0.158 0.000 2.368 1053 S HA -0.159 4.310 4.470 -0.001 0.000 0.225 1053 S C 2.118 176.836 174.600 0.196 0.000 1.030 1053 S CA 1.301 59.590 58.200 0.148 0.000 0.999 1053 S CB -0.693 62.567 63.200 0.099 0.000 0.844 1053 S HN 0.707 nan 8.310 nan 0.000 0.459 1054 E N 1.296 121.626 120.200 0.217 0.000 2.106 1054 E HA -0.126 4.223 4.350 -0.001 0.000 0.192 1054 E C 2.077 178.989 176.600 0.520 0.000 0.984 1054 E CA 1.027 57.646 56.400 0.365 0.000 0.806 1054 E CB -0.074 29.793 29.700 0.279 0.000 0.750 1054 E HN 0.599 nan 8.360 nan 0.000 0.458 1055 K N 0.226 120.876 120.400 0.418 0.000 2.062 1055 K HA -0.106 4.213 4.320 -0.001 0.000 0.205 1055 K C 2.118 178.955 176.600 0.394 0.000 1.051 1055 K CA 1.361 57.953 56.287 0.508 0.000 0.941 1055 K CB 0.022 32.736 32.500 0.357 0.000 0.719 1055 K HN 0.169 nan 8.250 nan 0.000 0.440 1056 E N 0.389 120.748 120.200 0.266 0.000 2.150 1056 E HA -0.149 4.200 4.350 -0.001 0.000 0.193 1056 E C 1.978 178.603 176.600 0.041 0.000 0.985 1056 E CA 0.848 57.264 56.400 0.025 0.000 0.814 1056 E CB -0.010 29.755 29.700 0.108 0.000 0.752 1056 E HN 0.304 nan 8.360 nan 0.000 0.466 1057 A N 1.122 124.086 122.820 0.239 0.000 1.898 1057 A HA -0.184 4.136 4.320 -0.001 0.000 0.216 1057 A C 2.107 179.900 177.584 0.349 0.000 1.181 1057 A CA 1.312 53.527 52.037 0.297 0.000 0.620 1057 A CB -0.357 18.774 19.000 0.217 0.000 0.819 1057 A HN 0.171 nan 8.150 nan 0.000 0.442 1058 M N 0.610 120.408 119.600 0.330 0.000 2.117 1058 M HA -0.037 4.442 4.480 -0.001 0.000 0.262 1058 M C 1.960 178.257 176.300 -0.005 0.000 1.065 1058 M CA 1.821 57.164 55.300 0.073 0.000 1.114 1058 M CB -1.112 31.138 32.600 -0.583 0.000 1.361 1058 M HN 0.313 nan 8.290 nan 0.000 0.408 1059 G N -1.163 107.560 108.800 -0.129 0.000 2.446 1059 G HA2 -0.270 3.689 3.960 -0.001 0.000 0.217 1059 G HA3 -0.270 3.689 3.960 -0.001 0.000 0.217 1059 G C 1.348 176.082 174.900 -0.277 0.000 1.168 1059 G CA 0.931 45.822 45.100 -0.348 0.000 0.771 1059 G HN 0.673 nan 8.290 nan 0.000 0.551 1060 W N -0.436 120.784 121.300 -0.134 0.000 2.402 1060 W HA 0.023 4.683 4.660 -0.001 0.000 0.286 1060 W C 2.443 178.970 176.519 0.014 0.000 1.221 1060 W CA 0.670 57.971 57.345 -0.072 0.000 1.257 1060 W CB -0.111 29.311 29.460 -0.064 0.000 1.120 1060 W HN 0.364 nan 8.180 nan 0.000 0.551 1061 H N -0.370 118.806 119.070 0.176 0.000 2.395 1061 H HA -0.080 4.476 4.556 -0.001 0.000 0.299 1061 H C 1.658 177.016 175.328 0.048 0.000 1.070 1061 H CA 1.516 57.636 56.048 0.119 0.000 1.356 1061 H CB -0.095 29.783 29.762 0.193 0.000 1.401 1061 H HN -0.044 nan 8.280 nan 0.000 0.524 1062 L N 0.453 121.633 121.223 -0.072 0.000 2.607 1062 L HA 0.389 4.729 4.340 -0.001 0.000 0.228 1062 L C 0.908 177.717 176.870 -0.102 0.000 1.123 1062 L CA 0.514 55.249 54.840 -0.175 0.000 0.890 1062 L CB -0.806 41.155 42.059 -0.164 0.000 1.103 1062 L HN 0.259 nan 8.230 nan 0.000 0.468 1063 A N 0.061 122.860 122.820 -0.034 0.000 2.561 1063 A HA 0.392 4.712 4.320 -0.001 0.000 0.251 1063 A C 1.583 179.166 177.584 -0.003 0.000 1.062 1063 A CA 0.860 52.897 52.037 -0.000 0.000 0.761 1063 A CB -0.700 18.363 19.000 0.105 0.000 0.986 1063 A HN 0.732 nan 8.150 nan 0.000 0.510 1064 G N 2.418 111.211 108.800 -0.012 0.000 2.176 1064 G HA2 -0.255 3.704 3.960 -0.001 0.000 0.253 1064 G HA3 -0.255 3.704 3.960 -0.001 0.000 0.253 1064 G C 0.859 175.733 174.900 -0.042 0.000 0.979 1064 G CA 0.659 45.751 45.100 -0.014 0.000 0.641 1064 G HN 0.827 nan 8.290 nan 0.000 0.530 1065 R N -1.160 119.298 120.500 -0.070 0.000 2.469 1065 R HA 0.471 4.811 4.340 -0.001 0.000 0.250 1065 R C 0.118 176.356 176.300 -0.104 0.000 0.909 1065 R CA 0.484 56.528 56.100 -0.093 0.000 1.050 1065 R CB 1.439 31.662 30.300 -0.127 0.000 1.256 1065 R HN 0.301 nan 8.270 nan 0.000 0.550 1066 V N -0.304 119.549 119.914 -0.101 0.000 3.007 1066 V HA 0.351 4.470 4.120 -0.001 0.000 0.311 1066 V C 0.254 176.287 176.094 -0.101 0.000 1.120 1066 V CA -0.477 61.751 62.300 -0.120 0.000 0.980 1066 V CB 1.935 33.671 31.823 -0.145 0.000 1.033 1066 V HN 0.139 nan 8.190 nan 0.000 0.429 1067 A N 2.254 124.987 122.820 -0.145 0.000 2.123 1067 A HA 0.747 5.067 4.320 -0.001 0.000 0.214 1067 A C 0.815 178.439 177.584 0.066 0.000 1.152 1067 A CA 1.093 53.075 52.037 -0.092 0.000 0.728 1067 A CB -0.026 18.710 19.000 -0.440 0.000 0.814 1067 A HN 1.602 nan 8.150 nan 0.000 0.464 1068 A N -1.792 120.981 122.820 -0.078 0.000 2.594 1068 A HA 0.549 4.869 4.320 -0.001 0.000 0.296 1068 A C -1.494 175.845 177.584 -0.408 0.000 1.056 1068 A CA -0.281 51.675 52.037 -0.135 0.000 0.693 1068 A CB 0.862 19.872 19.000 0.016 0.000 1.278 1068 A HN 0.583 nan 8.150 nan 0.000 0.408 1069 V N 2.473 122.183 119.914 -0.340 0.000 2.439 1069 V HA 0.393 4.513 4.120 -0.001 0.000 0.277 1069 V C -1.258 174.612 176.094 -0.372 0.000 1.008 1069 V CA -0.074 62.027 62.300 -0.333 0.000 0.846 1069 V CB 0.860 32.644 31.823 -0.065 0.000 1.031 1069 V HN 0.661 nan 8.190 nan 0.000 0.441 1070 I N 3.735 123.974 120.570 -0.552 0.000 2.354 1070 I HA 0.668 4.838 4.170 -0.001 0.000 0.292 1070 I C 1.040 177.008 176.117 -0.248 0.000 0.989 1070 I CA 0.051 61.088 61.300 -0.438 0.000 1.188 1070 I CB 1.715 39.409 38.000 -0.511 0.000 1.342 1070 I HN 0.581 nan 8.210 nan 0.000 0.457 1071 G N 3.904 112.613 108.800 -0.151 0.000 2.539 1071 G HA2 0.627 4.586 3.960 -0.001 0.000 0.258 1071 G HA3 0.627 4.586 3.960 -0.001 0.000 0.258 1071 G C -0.262 174.671 174.900 0.054 0.000 1.202 1071 G CA -0.055 45.034 45.100 -0.019 0.000 0.851 1071 G HN 0.643 nan 8.290 nan 0.000 0.556 1072 T N -3.031 111.551 114.554 0.047 0.000 2.696 1072 T HA 0.517 4.867 4.350 -0.001 0.000 0.291 1072 T C 0.233 174.825 174.700 -0.179 0.000 1.095 1072 T CA 0.113 62.264 62.100 0.085 0.000 1.026 1072 T CB 1.780 70.845 68.868 0.328 0.000 1.390 1072 T HN 1.217 nan 8.240 nan 0.000 0.513 1073 H N -0.958 117.874 119.070 -0.397 0.000 4.486 1073 H HA -0.250 4.306 4.556 -0.001 0.000 0.105 1073 H C 1.003 176.008 175.328 -0.538 0.000 0.617 1073 H CA 2.287 57.960 56.048 -0.625 0.000 1.163 1073 H CB -1.545 27.622 29.762 -0.992 0.000 0.506 1073 H HN 0.938 nan 8.280 nan 0.000 0.695 1074 T N -1.674 112.628 114.554 -0.421 0.000 3.107 1074 T HA 0.098 4.447 4.350 -0.001 0.000 0.249 1074 T C 0.802 175.252 174.700 -0.416 0.000 1.096 1074 T CA 0.882 62.719 62.100 -0.439 0.000 1.012 1074 T CB -0.228 68.530 68.868 -0.183 0.000 0.977 1074 T HN 0.569 nan 8.240 nan 0.000 0.527 1075 H N -0.847 118.063 119.070 -0.266 0.000 3.612 1075 H HA -0.123 4.432 4.556 -0.001 0.000 0.212 1075 H C -0.171 174.987 175.328 -0.284 0.000 1.041 1075 H CA 0.714 56.520 56.048 -0.403 0.000 1.205 1075 H CB -2.231 26.935 29.762 -0.992 0.000 1.159 1075 H HN 0.453 nan 8.280 nan 0.000 0.323 1076 V N 3.134 123.007 119.914 -0.068 0.000 2.444 1076 V HA 0.327 4.446 4.120 -0.001 0.000 0.294 1076 V C -1.777 174.318 176.094 0.002 0.000 1.022 1076 V CA -1.442 60.833 62.300 -0.042 0.000 0.850 1076 V CB 2.524 34.302 31.823 -0.075 0.000 0.992 1076 V HN -0.049 nan 8.190 nan 0.000 0.426 1077 P HA 0.163 nan 4.420 nan 0.000 0.269 1077 P C -0.247 177.062 177.300 0.014 0.000 1.209 1077 P CA 0.145 63.267 63.100 0.037 0.000 0.776 1077 P CB 0.763 32.492 31.700 0.049 0.000 0.876 1078 T N -1.710 112.850 114.554 0.009 0.000 2.895 1078 T HA 0.579 4.929 4.350 -0.001 0.000 0.283 1078 T C 0.815 175.521 174.700 0.009 0.000 1.014 1078 T CA -0.849 61.254 62.100 0.005 0.000 1.037 1078 T CB 1.418 70.285 68.868 -0.002 0.000 1.006 1078 T HN 0.363 nan 8.240 nan 0.000 0.468 1079 A N 1.428 124.258 122.820 0.017 0.000 2.476 1079 A HA 0.243 4.562 4.320 -0.001 0.000 0.263 1079 A C 1.227 178.830 177.584 0.032 0.000 1.342 1079 A CA -0.217 51.833 52.037 0.022 0.000 0.926 1079 A CB -0.605 18.408 19.000 0.020 0.000 1.019 1079 A HN 0.879 nan 8.150 nan 0.000 0.515 1080 D N -1.032 119.389 120.400 0.034 0.000 2.342 1080 D HA 0.005 4.644 4.640 -0.001 0.000 0.221 1080 D C 0.022 176.358 176.300 0.060 0.000 1.101 1080 D CA 0.071 54.107 54.000 0.061 0.000 0.837 1080 D CB -1.055 39.804 40.800 0.098 0.000 0.938 1080 D HN 0.068 nan 8.370 nan 0.000 0.508 1081 T N 1.710 116.280 114.554 0.028 0.000 2.777 1081 T HA -0.018 4.331 4.350 -0.001 0.000 0.273 1081 T C 0.372 175.106 174.700 0.056 0.000 1.016 1081 T CA 0.476 62.590 62.100 0.024 0.000 1.156 1081 T CB 0.726 69.612 68.868 0.030 0.000 1.019 1081 T HN 0.245 nan 8.240 nan 0.000 0.503 1082 R N 2.082 122.624 120.500 0.070 0.000 2.741 1082 R HA 0.442 4.781 4.340 -0.001 0.000 0.274 1082 R C -1.951 174.393 176.300 0.072 0.000 1.029 1082 R CA -0.758 55.387 56.100 0.075 0.000 0.880 1082 R CB 1.234 31.581 30.300 0.079 0.000 1.264 1082 R HN 0.594 nan 8.270 nan 0.000 0.465 1083 I N 3.726 124.330 120.570 0.058 0.000 2.420 1083 I HA 0.295 4.464 4.170 -0.001 0.000 0.282 1083 I C 0.132 176.268 176.117 0.032 0.000 1.019 1083 I CA -0.689 60.642 61.300 0.053 0.000 1.130 1083 I CB 1.552 39.590 38.000 0.064 0.000 1.262 1083 I HN 0.354 nan 8.210 nan 0.000 0.454 1084 L N 5.693 126.905 121.223 -0.018 0.000 2.461 1084 L HA 0.179 4.518 4.340 -0.001 0.000 0.272 1084 L C 0.885 177.796 176.870 0.069 0.000 1.197 1084 L CA -0.278 54.543 54.840 -0.031 0.000 0.836 1084 L CB 0.107 42.035 42.059 -0.219 0.000 1.105 1084 L HN 0.538 nan 8.230 nan 0.000 0.477 1085 K N 1.575 122.063 120.400 0.146 0.000 2.504 1085 K HA 0.070 4.390 4.320 -0.001 0.000 0.278 1085 K C 0.866 177.522 176.600 0.093 0.000 1.025 1085 K CA 1.094 57.452 56.287 0.118 0.000 1.093 1085 K CB 0.037 32.616 32.500 0.131 0.000 0.873 1085 K HN 0.881 nan 8.250 nan 0.000 0.483 1086 G N 2.238 111.075 108.800 0.061 0.000 2.296 1086 G HA2 -0.130 3.829 3.960 -0.001 0.000 0.188 1086 G HA3 -0.130 3.829 3.960 -0.001 0.000 0.188 1086 G C 0.566 175.486 174.900 0.035 0.000 1.000 1086 G CA -0.085 45.040 45.100 0.041 0.000 0.672 1086 G HN 1.380 nan 8.290 nan 0.000 0.483 1087 G N -0.751 108.077 108.800 0.046 0.000 2.165 1087 G HA2 0.069 4.029 3.960 -0.001 0.000 0.226 1087 G HA3 0.069 4.029 3.960 -0.001 0.000 0.226 1087 G C -0.013 174.926 174.900 0.066 0.000 1.035 1087 G CA 0.745 45.880 45.100 0.058 0.000 0.744 1087 G HN 1.517 nan 8.290 nan 0.000 0.501 1088 T N 1.076 115.657 114.554 0.045 0.000 2.801 1088 T HA 0.689 5.039 4.350 -0.001 0.000 0.306 1088 T C 0.695 175.426 174.700 0.053 0.000 1.020 1088 T CA 0.412 62.531 62.100 0.032 0.000 0.948 1088 T CB 1.450 70.305 68.868 -0.021 0.000 0.962 1088 T HN 1.387 nan 8.240 nan 0.000 0.465 1089 A N 3.727 126.608 122.820 0.102 0.000 2.498 1089 A HA 0.513 4.832 4.320 -0.001 0.000 0.239 1089 A C -0.636 176.990 177.584 0.071 0.000 1.068 1089 A CA 0.002 52.097 52.037 0.097 0.000 0.766 1089 A CB -0.025 19.061 19.000 0.143 0.000 1.003 1089 A HN 0.869 nan 8.150 nan 0.000 0.497 1090 Y N 0.286 120.536 120.300 -0.083 0.000 2.513 1090 Y HA 0.558 5.107 4.550 -0.001 0.000 0.340 1090 Y C -0.683 175.166 175.900 -0.084 0.000 1.055 1090 Y CA -0.461 57.562 58.100 -0.130 0.000 1.020 1090 Y CB 1.708 40.039 38.460 -0.215 0.000 1.301 1090 Y HN 0.785 nan 8.280 nan 0.000 0.453 1091 Q N 3.483 122.605 119.800 -1.130 0.000 2.331 1091 Q HA 0.193 4.532 4.340 -0.001 0.000 0.249 1091 Q C 0.009 175.495 176.000 -0.858 0.000 0.913 1091 Q CA 0.174 55.527 55.803 -0.751 0.000 0.874 1091 Q CB 1.825 30.395 28.738 -0.281 0.000 1.384 1091 Q HN 0.950 nan 8.270 nan 0.000 0.427 1092 T N 0.417 114.599 114.554 -0.620 0.000 2.737 1092 T HA -0.124 4.225 4.350 -0.001 0.000 0.269 1092 T C 0.396 175.016 174.700 -0.133 0.000 1.040 1092 T CA 1.603 63.557 62.100 -0.243 0.000 1.142 1092 T CB 0.070 68.952 68.868 0.023 0.000 0.861 1092 T HN 0.514 nan 8.240 nan 0.000 0.456 1093 D N -0.465 119.875 120.400 -0.101 0.000 2.613 1093 D HA 0.536 5.175 4.640 -0.001 0.000 0.230 1093 D C 0.803 177.124 176.300 0.036 0.000 1.365 1093 D CA 0.137 54.125 54.000 -0.020 0.000 0.976 1093 D CB 1.852 42.647 40.800 -0.009 0.000 1.415 1093 D HN 0.176 nan 8.370 nan 0.000 0.589 1094 A N 2.599 125.491 122.820 0.120 0.000 1.948 1094 A HA 0.264 4.584 4.320 -0.001 0.000 0.220 1094 A C 1.297 178.982 177.584 0.169 0.000 1.177 1094 A CA 2.052 54.215 52.037 0.209 0.000 0.636 1094 A CB -0.619 18.660 19.000 0.465 0.000 0.815 1094 A HN 1.065 nan 8.150 nan 0.000 0.449 1095 G N -3.012 105.891 108.800 0.171 0.000 2.422 1095 G HA2 0.063 4.022 3.960 -0.001 0.000 0.607 1095 G HA3 0.063 4.022 3.960 -0.001 0.000 0.607 1095 G C -0.302 174.764 174.900 0.275 0.000 1.270 1095 G CA -0.349 44.854 45.100 0.172 0.000 0.992 1095 G HN 0.710 nan 8.290 nan 0.000 0.499 1096 F N 0.081 120.052 119.950 0.036 0.000 2.380 1096 F HA 0.664 5.191 4.527 -0.001 0.000 0.321 1096 F C 0.604 176.378 175.800 -0.044 0.000 1.103 1096 F CA -0.237 57.749 58.000 -0.024 0.000 1.067 1096 F CB 2.054 40.991 39.000 -0.105 0.000 1.265 1096 F HN 0.432 nan 8.300 nan 0.000 0.517 1097 T N 2.741 117.023 114.554 -0.454 0.000 3.135 1097 T HA 0.538 4.887 4.350 -0.001 0.000 0.357 1097 T C -0.198 174.005 174.700 -0.828 0.000 1.112 1097 T CA -0.413 61.419 62.100 -0.447 0.000 1.290 1097 T CB 0.727 69.450 68.868 -0.242 0.000 1.018 1097 T HN 0.987 nan 8.240 nan 0.000 0.527 1098 G N 2.991 111.213 108.800 -0.964 0.000 2.450 1098 G HA2 0.535 4.494 3.960 -0.001 0.000 0.273 1098 G HA3 0.535 4.494 3.960 -0.001 0.000 0.273 1098 G C -3.166 171.481 174.900 -0.421 0.000 1.221 1098 G CA -0.771 43.831 45.100 -0.830 0.000 0.900 1098 G HN 0.195 nan 8.290 nan 0.000 0.483 1099 P HA 0.063 nan 4.420 nan 0.000 0.262 1099 P C -0.040 177.301 177.300 0.067 0.000 1.199 1099 P CA 0.583 63.659 63.100 -0.040 0.000 0.763 1099 P CB 0.988 32.666 31.700 -0.037 0.000 0.790 1100 H N 2.948 121.989 119.070 -0.048 0.000 2.363 1100 H HA -0.040 4.516 4.556 -0.001 0.000 0.301 1100 H C -0.053 175.252 175.328 -0.039 0.000 1.074 1100 H CA 1.482 57.507 56.048 -0.039 0.000 1.354 1100 H CB 0.069 29.785 29.762 -0.077 0.000 1.397 1100 H HN 0.279 nan 8.280 nan 0.000 0.516 1101 D N 0.716 121.055 120.400 -0.101 0.000 2.485 1101 D HA 0.263 4.902 4.640 -0.001 0.000 0.221 1101 D C -0.331 175.910 176.300 -0.099 0.000 1.112 1101 D CA 0.049 53.955 54.000 -0.158 0.000 0.911 1101 D CB 0.689 41.437 40.800 -0.086 0.000 1.019 1101 D HN 0.461 nan 8.370 nan 0.000 0.516 1102 S N 0.455 116.081 115.700 -0.123 0.000 2.724 1102 S HA 0.551 5.020 4.470 -0.001 0.000 0.278 1102 S C -1.045 173.479 174.600 -0.128 0.000 1.190 1102 S CA -0.914 57.222 58.200 -0.105 0.000 0.860 1102 S CB 0.890 64.022 63.200 -0.114 0.000 1.206 1102 S HN 0.158 nan 8.310 nan 0.000 0.507 1103 I N 1.743 122.241 120.570 -0.120 0.000 2.460 1103 I HA 0.464 4.633 4.170 -0.001 0.000 0.277 1103 I C 0.454 176.466 176.117 -0.176 0.000 1.057 1103 I CA -0.505 60.734 61.300 -0.101 0.000 1.179 1103 I CB 0.683 38.691 38.000 0.013 0.000 1.329 1103 I HN 0.863 nan 8.210 nan 0.000 0.478 1104 I N 4.688 125.090 120.570 -0.280 0.000 5.699 1104 I HA -0.404 3.765 4.170 -0.001 0.000 0.195 1104 I C 1.032 176.732 176.117 -0.694 0.000 1.815 1104 I CA 1.241 62.311 61.300 -0.383 0.000 2.028 1104 I CB -0.553 37.351 38.000 -0.160 0.000 3.376 1104 I HN 0.955 nan 8.210 nan 0.000 0.177 1105 G N -0.813 107.579 108.800 -0.680 0.000 2.229 1105 G HA2 -0.180 3.779 3.960 -0.001 0.000 0.189 1105 G HA3 -0.180 3.779 3.960 -0.001 0.000 0.189 1105 G C 0.134 174.713 174.900 -0.535 0.000 1.000 1105 G CA 0.158 44.640 45.100 -1.030 0.000 0.663 1105 G HN 0.524 nan 8.290 nan 0.000 0.493 1106 S N 0.299 115.852 115.700 -0.245 0.000 2.690 1106 S HA 0.822 5.292 4.470 -0.001 0.000 0.291 1106 S C 0.765 175.349 174.600 -0.027 0.000 1.138 1106 S CA 0.101 58.253 58.200 -0.081 0.000 1.013 1106 S CB 1.708 64.804 63.200 -0.174 0.000 1.053 1106 S HN 1.562 nan 8.310 nan 0.000 0.539 1107 A N 0.870 123.713 122.820 0.038 0.000 2.492 1107 A HA 0.262 4.581 4.320 -0.001 0.000 0.236 1107 A C 1.115 178.740 177.584 0.069 0.000 1.078 1107 A CA -0.061 52.010 52.037 0.058 0.000 0.773 1107 A CB -0.386 18.671 19.000 0.094 0.000 1.023 1107 A HN 0.835 nan 8.150 nan 0.000 0.504 1108 I N -0.076 120.524 120.570 0.050 0.000 2.286 1108 I HA -0.154 4.016 4.170 -0.001 0.000 0.245 1108 I C 2.400 178.563 176.117 0.077 0.000 1.104 1108 I CA 1.622 62.952 61.300 0.051 0.000 1.397 1108 I CB -0.352 37.658 38.000 0.016 0.000 1.072 1108 I HN 1.000 nan 8.210 nan 0.000 0.417 1109 E N 1.355 121.597 120.200 0.071 0.000 2.058 1109 E HA -0.203 4.147 4.350 -0.001 0.000 0.194 1109 E C 2.203 178.845 176.600 0.070 0.000 0.997 1109 E CA 1.535 57.971 56.400 0.061 0.000 0.801 1109 E CB -0.237 29.498 29.700 0.058 0.000 0.746 1109 E HN 0.485 nan 8.360 nan 0.000 0.450 1110 G N 1.219 110.102 108.800 0.139 0.000 2.639 1110 G HA2 -0.245 3.714 3.960 -0.001 0.000 0.216 1110 G HA3 -0.245 3.714 3.960 -0.001 0.000 0.216 1110 G C -0.828 174.141 174.900 0.115 0.000 1.267 1110 G CA 1.300 46.498 45.100 0.163 0.000 0.801 1110 G HN 0.325 nan 8.290 nan 0.000 0.592 1111 P HA -0.094 nan 4.420 nan 0.000 0.215 1111 P C 2.165 179.576 177.300 0.185 0.000 1.157 1111 P CA 0.722 63.964 63.100 0.235 0.000 0.874 1111 P CB -0.165 31.732 31.700 0.328 0.000 0.790 1112 L N -0.989 120.350 121.223 0.194 0.000 2.081 1112 L HA -0.270 4.070 4.340 -0.001 0.000 0.212 1112 L C 2.476 179.377 176.870 0.052 0.000 1.080 1112 L CA 1.601 56.544 54.840 0.170 0.000 0.754 1112 L CB -0.502 41.602 42.059 0.074 0.000 0.893 1112 L HN 0.046 nan 8.230 nan 0.000 0.433 1113 Q N -0.558 119.171 119.800 -0.119 0.000 2.083 1113 Q HA -0.148 4.192 4.340 -0.001 0.000 0.198 1113 Q C 2.251 178.012 176.000 -0.399 0.000 0.969 1113 Q CA 1.113 56.684 55.803 -0.386 0.000 0.838 1113 Q CB -0.222 28.014 28.738 -0.838 0.000 0.900 1113 Q HN 0.484 nan 8.270 nan 0.000 0.436 1114 R N -0.276 120.033 120.500 -0.319 0.000 2.096 1114 R HA -0.130 4.209 4.340 -0.001 0.000 0.240 1114 R C 2.232 178.426 176.300 -0.177 0.000 1.139 1114 R CA 1.243 57.193 56.100 -0.250 0.000 0.952 1114 R CB -0.433 29.652 30.300 -0.359 0.000 0.854 1114 R HN 0.233 nan 8.270 nan 0.000 0.436 1115 F N 0.671 120.590 119.950 -0.052 0.000 2.186 1115 F HA -0.096 4.430 4.527 -0.001 0.000 0.299 1115 F C 2.334 178.110 175.800 -0.041 0.000 1.090 1115 F CA 0.943 58.924 58.000 -0.032 0.000 1.307 1115 F CB -0.409 38.576 39.000 -0.026 0.000 1.019 1115 F HN -0.050 nan 8.300 nan 0.000 0.489 1116 L N -0.753 120.541 121.223 0.119 0.000 2.095 1116 L HA -0.127 4.213 4.340 -0.001 0.000 0.204 1116 L C 2.455 179.338 176.870 0.023 0.000 1.080 1116 L CA 1.800 56.669 54.840 0.048 0.000 0.759 1116 L CB -0.695 41.367 42.059 0.005 0.000 0.914 1116 L HN 0.243 nan 8.230 nan 0.000 0.439 1117 T N -4.990 109.560 114.554 -0.006 0.000 3.037 1117 T HA 0.067 4.417 4.350 -0.001 0.000 0.251 1117 T C 0.733 175.457 174.700 0.039 0.000 1.079 1117 T CA 0.245 62.360 62.100 0.026 0.000 1.067 1117 T CB 0.197 69.107 68.868 0.069 0.000 0.948 1117 T HN 0.394 nan 8.240 nan 0.000 0.496 1118 E N 0.350 120.563 120.200 0.022 0.000 3.286 1118 E HA -0.178 4.172 4.350 -0.001 0.000 0.292 1118 E C -0.264 176.349 176.600 0.022 0.000 0.928 1118 E CA 0.403 56.813 56.400 0.017 0.000 0.982 1118 E CB -1.328 28.388 29.700 0.028 0.000 1.500 1118 E HN 0.637 nan 8.360 nan 0.000 0.441 1119 R N 0.790 121.326 120.500 0.060 0.000 2.711 1119 R HA 0.426 4.765 4.340 -0.001 0.000 0.284 1119 R C -2.518 173.842 176.300 0.101 0.000 0.968 1119 R CA -2.214 53.922 56.100 0.061 0.000 0.924 1119 R CB 1.240 31.580 30.300 0.066 0.000 1.162 1119 R HN -0.134 nan 8.270 nan 0.000 0.465 1120 P HA 0.036 nan 4.420 nan 0.000 0.268 1120 P C -1.087 176.162 177.300 -0.086 0.000 1.204 1120 P CA 0.182 63.254 63.100 -0.046 0.000 0.768 1120 P CB 0.670 32.320 31.700 -0.083 0.000 0.842 1121 H N 0.028 118.945 119.070 -0.256 0.000 2.806 1121 H HA 0.421 4.976 4.556 -0.001 0.000 0.367 1121 H C 0.253 175.362 175.328 -0.365 0.000 1.136 1121 H CA -0.703 55.205 56.048 -0.233 0.000 1.178 1121 H CB 1.726 31.377 29.762 -0.186 0.000 1.718 1121 H HN 0.305 nan 8.280 nan 0.000 0.540 1122 R N 2.607 123.043 120.500 -0.106 0.000 2.539 1122 R HA 0.315 4.654 4.340 -0.001 0.000 0.275 1122 R C -1.052 175.301 176.300 0.089 0.000 1.077 1122 R CA -0.247 55.825 56.100 -0.048 0.000 1.097 1122 R CB 0.484 30.804 30.300 0.033 0.000 1.018 1122 R HN 0.843 nan 8.270 nan 0.000 0.483 1123 Y N -0.830 119.532 120.300 0.103 0.000 2.521 1123 Y HA 0.583 5.132 4.550 -0.001 0.000 0.332 1123 Y C -0.594 175.387 175.900 0.135 0.000 1.121 1123 Y CA -1.488 56.678 58.100 0.110 0.000 1.037 1123 Y CB 1.273 39.797 38.460 0.107 0.000 1.330 1123 Y HN 0.699 nan 8.280 nan 0.000 0.452 1124 G N 1.099 110.049 108.800 0.249 0.000 3.209 1124 G HA2 0.560 4.519 3.960 -0.001 0.000 0.236 1124 G HA3 0.560 4.519 3.960 -0.001 0.000 0.236 1124 G C -1.121 173.849 174.900 0.117 0.000 1.329 1124 G CA -1.077 44.121 45.100 0.163 0.000 1.015 1124 G HN 0.532 nan 8.290 nan 0.000 0.571 1125 V N 0.969 120.959 119.914 0.127 0.000 2.715 1125 V HA 0.469 4.588 4.120 -0.001 0.000 0.299 1125 V C 1.143 177.299 176.094 0.103 0.000 1.054 1125 V CA -0.233 62.166 62.300 0.165 0.000 1.077 1125 V CB 0.919 32.842 31.823 0.167 0.000 0.972 1125 V HN 0.954 nan 8.190 nan 0.000 0.484 1126 A N 3.977 126.840 122.820 0.072 0.000 2.445 1126 A HA 0.514 4.834 4.320 -0.001 0.000 0.242 1126 A C 0.150 177.754 177.584 0.033 0.000 1.075 1126 A CA -0.348 51.708 52.037 0.031 0.000 0.777 1126 A CB 0.098 19.090 19.000 -0.013 0.000 1.013 1126 A HN 1.008 nan 8.150 nan 0.000 0.493 1127 E N 0.740 120.955 120.200 0.026 0.000 2.195 1127 E HA 0.759 5.108 4.350 -0.001 0.000 0.271 1127 E C 0.274 176.882 176.600 0.014 0.000 0.923 1127 E CA -0.196 56.217 56.400 0.023 0.000 0.790 1127 E CB 1.114 30.830 29.700 0.027 0.000 1.155 1127 E HN 1.836 nan 8.360 nan 0.000 0.402 1128 G N 1.232 110.039 108.800 0.010 0.000 2.306 1128 G HA2 -0.088 3.871 3.960 -0.001 0.000 0.262 1128 G HA3 -0.088 3.871 3.960 -0.001 0.000 0.262 1128 G C -0.983 173.919 174.900 0.003 0.000 1.263 1128 G CA -0.725 44.380 45.100 0.008 0.000 1.088 1128 G HN 0.660 nan 8.290 nan 0.000 0.489 1129 R N 0.523 121.026 120.500 0.006 0.000 2.537 1129 R HA 0.468 4.807 4.340 -0.001 0.000 0.281 1129 R C 0.743 177.038 176.300 -0.009 0.000 0.988 1129 R CA 1.080 57.173 56.100 -0.012 0.000 1.077 1129 R CB 0.136 30.431 30.300 -0.007 0.000 0.932 1129 R HN 1.219 nan 8.270 nan 0.000 0.409 1130 A N 3.314 126.100 122.820 -0.057 0.000 2.322 1130 A HA 0.497 4.816 4.320 -0.001 0.000 0.327 1130 A C -0.958 176.544 177.584 -0.136 0.000 1.134 1130 A CA -0.704 51.286 52.037 -0.077 0.000 0.831 1130 A CB 1.102 20.055 19.000 -0.077 0.000 1.288 1130 A HN 0.822 nan 8.150 nan 0.000 0.472 1131 E N -0.031 120.087 120.200 -0.137 0.000 2.343 1131 E HA 0.685 5.034 4.350 -0.001 0.000 0.270 1131 E C -1.780 174.751 176.600 -0.115 0.000 0.895 1131 E CA -0.743 55.564 56.400 -0.154 0.000 0.767 1131 E CB 1.899 31.548 29.700 -0.084 0.000 1.248 1131 E HN 0.555 nan 8.360 nan 0.000 0.440 1132 L N 2.537 123.725 121.223 -0.058 0.000 2.376 1132 L HA 0.530 4.870 4.340 -0.001 0.000 0.275 1132 L C -1.503 175.377 176.870 0.016 0.000 0.987 1132 L CA -0.522 54.302 54.840 -0.027 0.000 0.828 1132 L CB 1.394 43.453 42.059 0.001 0.000 1.249 1132 L HN 0.573 nan 8.230 nan 0.000 0.409 1133 N N 3.354 122.072 118.700 0.029 0.000 2.314 1133 N HA 0.753 5.492 4.740 -0.001 0.000 0.304 1133 N C -0.555 175.012 175.510 0.095 0.000 1.073 1133 N CA -0.308 52.785 53.050 0.072 0.000 0.822 1133 N CB 2.381 40.922 38.487 0.089 0.000 1.280 1133 N HN 0.808 nan 8.380 nan 0.000 0.489 1134 G N -0.374 108.521 108.800 0.158 0.000 2.749 1134 G HA2 0.584 4.544 3.960 -0.001 0.000 0.300 1134 G HA3 0.584 4.544 3.960 -0.001 0.000 0.300 1134 G C -1.695 173.330 174.900 0.209 0.000 1.352 1134 G CA -0.312 44.878 45.100 0.151 0.000 0.789 1134 G HN 0.284 nan 8.290 nan 0.000 0.509 1135 V N 0.589 120.628 119.914 0.208 0.000 2.532 1135 V HA 0.639 4.758 4.120 -0.001 0.000 0.294 1135 V C 0.266 176.427 176.094 0.110 0.000 1.036 1135 V CA -0.597 61.820 62.300 0.195 0.000 0.876 1135 V CB 1.038 33.005 31.823 0.239 0.000 1.012 1135 V HN 1.305 nan 8.190 nan 0.000 0.432 1136 A N 6.536 129.420 122.820 0.106 0.000 2.362 1136 A HA 0.855 5.174 4.320 -0.001 0.000 0.276 1136 A C -0.621 177.000 177.584 0.062 0.000 1.153 1136 A CA 0.018 52.106 52.037 0.085 0.000 0.813 1136 A CB 0.213 19.376 19.000 0.272 0.000 1.081 1136 A HN 0.798 nan 8.150 nan 0.000 0.507 1137 L N 1.822 123.029 121.223 -0.027 0.000 2.388 1137 L HA 0.479 4.818 4.340 -0.001 0.000 0.264 1137 L C -0.200 176.496 176.870 -0.291 0.000 0.998 1137 L CA -0.432 54.289 54.840 -0.199 0.000 0.817 1137 L CB 2.316 44.155 42.059 -0.367 0.000 1.338 1137 L HN 0.870 nan 8.230 nan 0.000 0.414 1138 H N 1.544 120.366 119.070 -0.414 0.000 2.727 1138 H HA 0.523 5.079 4.556 -0.001 0.000 0.330 1138 H C -1.497 173.655 175.328 -0.293 0.000 0.986 1138 H CA -0.689 55.193 56.048 -0.278 0.000 1.251 1138 H CB 1.152 30.867 29.762 -0.078 0.000 1.493 1138 H HN 0.318 nan 8.280 nan 0.000 0.515 1139 F N 2.417 122.496 119.950 0.216 0.000 2.450 1139 F HA 0.337 4.864 4.527 -0.001 0.000 0.332 1139 F C 0.091 175.891 175.800 0.000 0.000 1.093 1139 F CA -0.805 57.248 58.000 0.090 0.000 1.003 1139 F CB 1.822 40.889 39.000 0.112 0.000 1.151 1139 F HN 0.546 nan 8.300 nan 0.000 0.474 1140 E N 0.439 120.751 120.200 0.187 0.000 2.307 1140 E HA 0.468 4.817 4.350 -0.001 0.000 0.280 1140 E C 0.214 176.852 176.600 0.062 0.000 0.900 1140 E CA -0.117 56.323 56.400 0.067 0.000 0.790 1140 E CB 1.449 31.127 29.700 -0.036 0.000 1.261 1140 E HN 0.840 nan 8.360 nan 0.000 0.405 1141 G N 2.794 111.622 108.800 0.047 0.000 2.153 1141 G HA2 -0.232 3.728 3.960 -0.001 0.000 0.252 1141 G HA3 -0.232 3.728 3.960 -0.001 0.000 0.252 1141 G C 0.907 175.818 174.900 0.017 0.000 0.994 1141 G CA 0.571 45.687 45.100 0.026 0.000 0.698 1141 G HN 1.715 nan 8.290 nan 0.000 0.521 1142 G N -1.665 107.146 108.800 0.020 0.000 2.143 1142 G HA2 -0.218 3.741 3.960 -0.001 0.000 0.249 1142 G HA3 -0.218 3.741 3.960 -0.001 0.000 0.249 1142 G C 0.155 175.042 174.900 -0.023 0.000 0.981 1142 G CA 1.237 46.315 45.100 -0.037 0.000 0.665 1142 G HN 1.077 nan 8.290 nan 0.000 0.528 1143 K N -0.252 120.189 120.400 0.068 0.000 2.385 1143 K HA 0.753 5.073 4.320 -0.001 0.000 0.248 1143 K C 0.085 176.847 176.600 0.270 0.000 0.955 1143 K CA -0.318 56.038 56.287 0.115 0.000 0.816 1143 K CB 2.158 34.700 32.500 0.070 0.000 1.250 1143 K HN 0.516 nan 8.250 nan 0.000 0.434 1144 A N 0.889 123.887 122.820 0.297 0.000 2.362 1144 A HA 0.212 4.532 4.320 -0.001 0.000 0.276 1144 A C 0.874 178.543 177.584 0.141 0.000 1.153 1144 A CA -0.171 52.052 52.037 0.310 0.000 0.813 1144 A CB -0.031 19.137 19.000 0.280 0.000 1.081 1144 A HN 0.852 nan 8.150 nan 0.000 0.507 1145 T N -0.781 113.824 114.554 0.085 0.000 3.015 1145 T HA 0.548 4.898 4.350 -0.001 0.000 0.250 1145 T C 0.469 175.207 174.700 0.064 0.000 1.057 1145 T CA 0.681 62.804 62.100 0.038 0.000 1.066 1145 T CB 0.099 68.933 68.868 -0.055 0.000 0.959 1145 T HN 1.721 nan 8.240 nan 0.000 0.488 1146 A N 0.268 123.139 122.820 0.084 0.000 2.540 1146 A HA 0.844 5.164 4.320 -0.001 0.000 0.297 1146 A C -1.299 176.324 177.584 0.064 0.000 1.056 1146 A CA -0.544 51.548 52.037 0.092 0.000 0.700 1146 A CB 1.270 20.353 19.000 0.139 0.000 1.280 1146 A HN 0.996 nan 8.150 nan 0.000 0.398 1147 A N 2.198 125.057 122.820 0.065 0.000 2.429 1147 A HA 0.795 5.114 4.320 -0.001 0.000 0.289 1147 A C -0.908 176.718 177.584 0.070 0.000 1.043 1147 A CA 0.052 52.126 52.037 0.060 0.000 0.722 1147 A CB 0.955 19.992 19.000 0.061 0.000 1.243 1147 A HN 1.402 nan 8.150 nan 0.000 0.415 1148 E N 2.088 122.339 120.200 0.085 0.000 2.366 1148 E HA 0.572 4.921 4.350 -0.001 0.000 0.278 1148 E C -0.895 175.775 176.600 0.118 0.000 0.923 1148 E CA -1.074 55.380 56.400 0.091 0.000 0.761 1148 E CB 1.421 31.177 29.700 0.093 0.000 1.231 1148 E HN 0.588 nan 8.360 nan 0.000 0.443 1149 R N 1.089 121.650 120.500 0.102 0.000 2.694 1149 R HA 0.218 4.557 4.340 -0.001 0.000 0.268 1149 R C -0.984 175.413 176.300 0.161 0.000 1.061 1149 R CA -0.176 55.993 56.100 0.116 0.000 1.133 1149 R CB 0.401 30.741 30.300 0.067 0.000 1.020 1149 R HN 0.599 nan 8.270 nan 0.000 0.475 1150 Y N 1.292 121.633 120.300 0.068 0.000 2.406 1150 Y HA 0.399 4.949 4.550 -0.001 0.000 0.340 1150 Y C -0.890 175.046 175.900 0.059 0.000 0.975 1150 Y CA -0.888 57.258 58.100 0.077 0.000 1.056 1150 Y CB 1.441 39.959 38.460 0.097 0.000 1.210 1150 Y HN 0.521 nan 8.280 nan 0.000 0.448 1151 R N 6.473 126.522 120.500 -0.751 0.000 2.584 1151 R HA 0.530 4.869 4.340 -0.001 0.000 0.276 1151 R C -2.541 173.488 176.300 -0.450 0.000 1.046 1151 R CA -0.699 55.147 56.100 -0.422 0.000 0.906 1151 R CB 1.525 31.702 30.300 -0.205 0.000 1.215 1151 R HN 0.707 nan 8.270 nan 0.000 0.449 1152 F N 6.053 125.755 119.950 -0.414 0.000 2.557 1152 F HA 0.533 5.059 4.527 -0.001 0.000 0.316 1152 F C -1.501 174.127 175.800 -0.286 0.000 1.141 1152 F CA -0.918 56.871 58.000 -0.352 0.000 0.922 1152 F CB 1.343 40.062 39.000 -0.467 0.000 1.194 1152 F HN 0.266 nan 8.300 nan 0.000 0.443 1153 I N 5.858 125.788 120.570 -1.067 0.000 2.355 1153 I HA 0.233 4.403 4.170 -0.001 0.000 0.288 1153 I C 0.037 175.405 176.117 -1.248 0.000 0.999 1153 I CA -0.631 60.112 61.300 -0.928 0.000 1.163 1153 I CB 1.117 38.681 38.000 -0.725 0.000 1.316 1153 I HN 0.730 nan 8.210 nan 0.000 0.454 1154 E N 5.301 124.947 120.200 -0.924 0.000 2.409 1154 E HA 0.124 4.473 4.350 -0.001 0.000 0.257 1154 E C -0.685 175.731 176.600 -0.307 0.000 1.150 1154 E CA -0.577 55.517 56.400 -0.511 0.000 0.942 1154 E CB 0.978 30.656 29.700 -0.037 0.000 0.979 1154 E HN 0.425 nan 8.360 nan 0.000 0.447 1155 D N 0.000 120.323 120.400 -0.129 0.000 6.856 1155 D HA 0.000 4.639 4.640 -0.001 0.000 0.175 1155 D CA 0.000 53.946 54.000 -0.090 0.000 0.868 1155 D CB 0.000 40.785 40.800 -0.026 0.000 0.688 1155 D HN 0.000 nan 8.370 nan 0.000 0.683