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 3bsb_1_A DATA FIRST_RESID 829 DATA SEQUENCE RSRLLEDFRN NRYPNLQLRE IAGHIMEFSQ DQHGSRFIQL KLERATPAER DATA SEQUENCE QLVFNEILQA AYQLMVDVFG NYVIQKFFEF GSLEQKLALA ERIRGHVLSL DATA SEQUENCE ALQMYGCRVI QKALEFIPSD QQNEMVRELD GHVLKCVKDQ NGNHVVQKCI DATA SEQUENCE ECVQPQSLQF IIDAFKGQVF ALSTHPYGCR VIQRILEHCL PDQTLPILEE DATA SEQUENCE LHQHTEQLVQ DQYGNYVIQH VLEHGRPEDK SKIVAEIRGN VLVLSQHKFA DATA SEQUENCE SNVVEKCVTH ASRTERAVLI DEVCTMNDGP HSALYTMMKD QYANYVVQKM DATA SEQUENCE IDVAEPGQRK IVMHKIRPHI ATLRKYTYGK HILAKLEKYY 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 829 R HA 0.000 nan 4.340 nan 0.000 0.208 829 R C 0.000 176.318 176.300 0.029 0.000 0.893 829 R CA 0.000 56.106 56.100 0.011 0.000 0.921 829 R CB 0.000 30.287 30.300 -0.022 0.000 0.687 830 S N -0.544 115.185 115.700 0.049 0.000 2.730 830 S HA 0.586 5.055 4.470 -0.001 0.000 0.284 830 S C 1.254 175.877 174.600 0.038 0.000 1.153 830 S CA -0.136 58.106 58.200 0.069 0.000 0.995 830 S CB 1.632 64.919 63.200 0.146 0.000 1.058 830 S HN 0.806 nan 8.310 nan 0.000 0.552 831 R N -0.194 120.331 120.500 0.041 0.000 2.075 831 R HA 0.038 4.378 4.340 -0.001 0.000 0.232 831 R C 2.245 178.565 176.300 0.033 0.000 1.126 831 R CA 1.726 57.846 56.100 0.033 0.000 0.963 831 R CB -1.993 28.331 30.300 0.040 0.000 0.858 831 R HN 0.764 nan 8.270 nan 0.000 0.435 832 L N 0.047 121.266 121.223 -0.007 0.000 2.127 832 L HA -0.055 4.284 4.340 -0.001 0.000 0.211 832 L C 2.238 179.119 176.870 0.018 0.000 1.089 832 L CA 1.987 56.795 54.840 -0.054 0.000 0.757 832 L CB -0.419 41.460 42.059 -0.300 0.000 0.899 832 L HN 0.389 nan 8.230 nan 0.000 0.434 833 L N -0.220 120.990 121.223 -0.023 0.000 2.095 833 L HA 0.047 4.386 4.340 -0.001 0.000 0.204 833 L C 2.671 179.519 176.870 -0.037 0.000 1.080 833 L CA 2.064 56.820 54.840 -0.140 0.000 0.759 833 L CB -1.189 40.729 42.059 -0.235 0.000 0.914 833 L HN 0.401 nan 8.230 nan 0.000 0.439 834 E N -0.449 119.741 120.200 -0.017 0.000 2.035 834 E HA -0.384 3.966 4.350 -0.001 0.000 0.204 834 E C 1.966 178.563 176.600 -0.006 0.000 1.025 834 E CA 2.051 58.441 56.400 -0.018 0.000 0.835 834 E CB -1.561 28.137 29.700 -0.004 0.000 0.764 834 E HN 0.686 nan 8.360 nan 0.000 0.457 835 D N -1.426 119.010 120.400 0.060 0.000 2.144 835 D HA -0.082 4.558 4.640 -0.001 0.000 0.199 835 D C 1.704 178.080 176.300 0.127 0.000 0.984 835 D CA 1.439 55.495 54.000 0.093 0.000 0.834 835 D CB -0.246 40.668 40.800 0.190 0.000 0.955 835 D HN 0.437 nan 8.370 nan 0.000 0.465 836 F N 1.131 121.127 119.950 0.075 0.000 2.102 836 F HA -0.040 4.487 4.527 -0.001 0.000 0.298 836 F C 2.101 177.851 175.800 -0.084 0.000 1.105 836 F CA 1.161 59.183 58.000 0.037 0.000 1.239 836 F CB -0.230 38.727 39.000 -0.072 0.000 0.991 836 F HN -0.212 nan 8.300 nan 0.000 0.474 837 R N 0.640 121.004 120.500 -0.226 0.000 2.293 837 R HA -0.105 4.234 4.340 -0.001 0.000 0.219 837 R C 0.251 176.352 176.300 -0.331 0.000 1.091 837 R CA 0.946 56.828 56.100 -0.362 0.000 1.004 837 R CB -0.579 29.626 30.300 -0.159 0.000 0.865 837 R HN 0.365 nan 8.270 nan 0.000 0.469 838 N N 0.908 119.465 118.700 -0.238 0.000 2.275 838 N HA -0.036 4.703 4.740 -0.001 0.000 0.236 838 N C -0.734 174.639 175.510 -0.228 0.000 1.154 838 N CA -0.099 52.826 53.050 -0.209 0.000 0.866 838 N CB 0.054 38.465 38.487 -0.126 0.000 1.093 838 N HN 0.107 nan 8.380 nan 0.000 0.515 839 N N 0.973 119.478 118.700 -0.325 0.000 2.438 839 N HA -0.270 4.470 4.740 -0.001 0.000 0.295 839 N C 0.264 175.673 175.510 -0.169 0.000 1.416 839 N CA 1.105 53.987 53.050 -0.279 0.000 0.646 839 N CB -0.250 38.087 38.487 -0.250 0.000 0.955 839 N HN 0.554 nan 8.380 nan 0.000 0.502 840 R N 2.286 122.717 120.500 -0.115 0.000 2.551 840 R HA 0.177 4.516 4.340 -0.001 0.000 0.316 840 R C -0.447 175.618 176.300 -0.391 0.000 0.934 840 R CA 0.674 56.619 56.100 -0.258 0.000 1.117 840 R CB -0.046 30.046 30.300 -0.347 0.000 1.626 840 R HN 0.370 nan 8.270 nan 0.000 0.513 841 Y N 1.048 121.360 120.300 0.020 0.000 2.488 841 Y HA 0.396 4.945 4.550 -0.001 0.000 0.330 841 Y C -1.734 174.196 175.900 0.050 0.000 1.013 841 Y CA -2.335 55.789 58.100 0.040 0.000 1.304 841 Y CB 2.678 41.173 38.460 0.058 0.000 1.098 841 Y HN 0.037 nan 8.280 nan 0.000 0.498 842 P HA 0.070 nan 4.420 nan 0.000 0.239 842 P C -0.121 177.249 177.300 0.116 0.000 1.188 842 P CA 0.716 63.879 63.100 0.104 0.000 0.794 842 P CB 0.631 32.359 31.700 0.046 0.000 0.937 843 N N -0.320 118.451 118.700 0.118 0.000 2.236 843 N HA 0.096 4.835 4.740 -0.001 0.000 0.196 843 N C 0.353 175.925 175.510 0.103 0.000 1.114 843 N CA -0.280 52.831 53.050 0.100 0.000 0.859 843 N CB -0.495 38.039 38.487 0.079 0.000 0.982 843 N HN 0.032 nan 8.380 nan 0.000 0.493 844 L N 1.740 123.021 121.223 0.097 0.000 2.667 844 L HA -0.103 4.237 4.340 -0.001 0.000 0.278 844 L C 0.154 177.084 176.870 0.100 0.000 1.217 844 L CA 0.869 55.696 54.840 -0.022 0.000 0.935 844 L CB 0.206 42.103 42.059 -0.269 0.000 1.193 844 L HN 0.169 nan 8.230 nan 0.000 0.493 845 Q N 3.520 123.362 119.800 0.071 0.000 2.286 845 Q HA 0.330 4.669 4.340 -0.001 0.000 0.250 845 Q C 0.947 177.027 176.000 0.133 0.000 1.021 845 Q CA -0.693 55.191 55.803 0.135 0.000 0.930 845 Q CB 1.289 30.054 28.738 0.045 0.000 1.266 845 Q HN 0.680 nan 8.270 nan 0.000 0.491 846 L N 0.152 121.412 121.223 0.062 0.000 2.023 846 L HA -0.106 4.234 4.340 -0.001 0.000 0.205 846 L C 2.294 179.138 176.870 -0.043 0.000 1.073 846 L CA 1.004 55.843 54.840 -0.002 0.000 0.745 846 L CB -0.280 41.743 42.059 -0.059 0.000 0.900 846 L HN 0.540 nan 8.230 nan 0.000 0.435 847 R N 0.462 120.942 120.500 -0.033 0.000 2.154 847 R HA -0.215 4.125 4.340 -0.001 0.000 0.248 847 R C 2.002 178.266 176.300 -0.059 0.000 1.155 847 R CA 1.492 57.569 56.100 -0.037 0.000 0.979 847 R CB -0.162 30.124 30.300 -0.023 0.000 0.869 847 R HN 0.388 nan 8.270 nan 0.000 0.452 848 E N -0.433 119.719 120.200 -0.081 0.000 2.418 848 E HA -0.087 4.262 4.350 -0.001 0.000 0.197 848 E C 0.910 177.391 176.600 -0.198 0.000 1.026 848 E CA 0.947 57.272 56.400 -0.125 0.000 0.862 848 E CB 0.103 29.717 29.700 -0.142 0.000 0.799 848 E HN 0.569 nan 8.360 nan 0.000 0.518 849 I N -3.044 117.382 120.570 -0.240 0.000 3.927 849 I HA 0.369 4.538 4.170 -0.001 0.000 0.332 849 I C 0.465 176.498 176.117 -0.140 0.000 1.485 849 I CA -0.758 60.336 61.300 -0.345 0.000 1.131 849 I CB 0.480 37.972 38.000 -0.846 0.000 1.092 849 I HN -0.252 nan 8.210 nan 0.000 0.410 850 A N 1.639 124.413 122.820 -0.076 0.000 2.546 850 A HA 0.437 4.756 4.320 -0.001 0.000 0.243 850 A C 1.558 179.107 177.584 -0.058 0.000 1.063 850 A CA 0.848 52.851 52.037 -0.056 0.000 0.757 850 A CB -0.521 18.453 19.000 -0.043 0.000 0.991 850 A HN 1.221 nan 8.150 nan 0.000 0.503 851 G N 1.267 109.997 108.800 -0.117 0.000 2.175 851 G HA2 -0.201 3.759 3.960 -0.001 0.000 0.244 851 G HA3 -0.201 3.759 3.960 -0.001 0.000 0.244 851 G C 0.425 175.065 174.900 -0.434 0.000 0.982 851 G CA 0.597 45.551 45.100 -0.244 0.000 0.641 851 G HN 1.046 nan 8.290 nan 0.000 0.527 852 H N -0.483 118.539 119.070 -0.081 0.000 3.078 852 H HA 0.266 4.821 4.556 -0.001 0.000 0.263 852 H C 2.229 177.552 175.328 -0.007 0.000 1.177 852 H CA 0.004 56.038 56.048 -0.024 0.000 1.128 852 H CB 0.293 30.021 29.762 -0.057 0.000 1.623 852 H HN 0.317 nan 8.280 nan 0.000 0.592 853 I N 0.599 121.176 120.570 0.012 0.000 2.264 853 I HA -0.262 3.908 4.170 -0.001 0.000 0.248 853 I C 2.411 178.590 176.117 0.104 0.000 1.111 853 I CA 1.210 62.528 61.300 0.030 0.000 1.382 853 I CB -0.492 37.506 38.000 -0.003 0.000 1.060 853 I HN 0.208 nan 8.210 nan 0.000 0.418 854 M N 0.880 120.523 119.600 0.072 0.000 2.132 854 M HA -0.212 4.267 4.480 -0.001 0.000 0.263 854 M C 2.250 178.620 176.300 0.117 0.000 1.065 854 M CA 1.765 57.104 55.300 0.066 0.000 1.122 854 M CB -0.431 32.182 32.600 0.023 0.000 1.365 854 M HN 0.249 nan 8.290 nan 0.000 0.411 855 E N -1.001 119.301 120.200 0.171 0.000 2.047 855 E HA -0.204 4.145 4.350 -0.001 0.000 0.191 855 E C 1.741 178.467 176.600 0.210 0.000 0.987 855 E CA 1.457 57.971 56.400 0.190 0.000 0.799 855 E CB -0.236 29.620 29.700 0.261 0.000 0.752 855 E HN 0.497 nan 8.360 nan 0.000 0.449 856 F N 1.041 121.019 119.950 0.046 0.000 2.186 856 F HA -0.077 4.450 4.527 -0.001 0.000 0.299 856 F C 2.660 178.488 175.800 0.047 0.000 1.090 856 F CA 1.132 59.154 58.000 0.037 0.000 1.307 856 F CB -0.321 38.691 39.000 0.020 0.000 1.019 856 F HN 0.009 nan 8.300 nan 0.000 0.489 857 S N -0.646 115.196 115.700 0.238 0.000 2.423 857 S HA -0.173 4.296 4.470 -0.001 0.000 0.231 857 S C 1.748 176.429 174.600 0.134 0.000 1.014 857 S CA 0.999 59.298 58.200 0.166 0.000 0.965 857 S CB -0.308 62.972 63.200 0.133 0.000 0.785 857 S HN 0.495 nan 8.310 nan 0.000 0.495 858 Q N 0.350 120.212 119.800 0.103 0.000 2.392 858 Q HA 0.157 4.496 4.340 -0.001 0.000 0.203 858 Q C -0.149 175.876 176.000 0.041 0.000 0.917 858 Q CA 0.132 55.993 55.803 0.097 0.000 0.939 858 Q CB 0.048 28.827 28.738 0.068 0.000 1.063 858 Q HN 0.444 nan 8.270 nan 0.000 0.516 859 D N 0.611 120.974 120.400 -0.063 0.000 2.210 859 D HA -0.012 4.628 4.640 -0.001 0.000 0.249 859 D C 0.938 176.918 176.300 -0.533 0.000 1.078 859 D CA -0.100 53.758 54.000 -0.236 0.000 0.875 859 D CB 1.191 41.867 40.800 -0.207 0.000 1.175 859 D HN -0.083 nan 8.370 nan 0.000 0.440 860 Q N 2.114 121.298 119.800 -1.027 0.000 2.133 860 Q HA -0.273 4.066 4.340 -0.001 0.000 0.208 860 Q C 0.826 176.276 176.000 -0.917 0.000 0.991 860 Q CA 1.660 56.443 55.803 -1.699 0.000 0.867 860 Q CB 0.111 27.944 28.738 -1.509 0.000 0.911 860 Q HN 0.668 nan 8.270 nan 0.000 0.417 861 H N -2.248 116.627 119.070 -0.324 0.000 2.476 861 H HA 0.131 4.686 4.556 -0.001 0.000 0.292 861 H C 1.928 177.339 175.328 0.138 0.000 1.019 861 H CA 0.898 56.885 56.048 -0.101 0.000 1.330 861 H CB -0.188 29.485 29.762 -0.149 0.000 1.451 861 H HN 0.426 nan 8.280 nan 0.000 0.535 862 G N 0.571 109.467 108.800 0.161 0.000 2.446 862 G HA2 -0.297 3.663 3.960 -0.001 0.000 0.217 862 G HA3 -0.297 3.663 3.960 -0.001 0.000 0.217 862 G C 1.982 177.062 174.900 0.299 0.000 1.168 862 G CA 1.259 46.468 45.100 0.182 0.000 0.771 862 G HN 0.420 nan 8.290 nan 0.000 0.551 863 S N -0.231 115.544 115.700 0.126 0.000 2.440 863 S HA -0.108 4.361 4.470 -0.001 0.000 0.238 863 S C 2.308 176.970 174.600 0.103 0.000 1.010 863 S CA 1.561 59.835 58.200 0.123 0.000 0.972 863 S CB -0.256 62.999 63.200 0.091 0.000 0.774 863 S HN 0.445 nan 8.310 nan 0.000 0.501 864 R N -0.952 119.614 120.500 0.110 0.000 2.080 864 R HA 0.013 4.352 4.340 -0.001 0.000 0.222 864 R C 2.080 178.459 176.300 0.132 0.000 1.107 864 R CA 1.231 57.382 56.100 0.084 0.000 0.980 864 R CB -0.546 29.810 30.300 0.094 0.000 0.879 864 R HN 0.549 nan 8.270 nan 0.000 0.439 865 F N 1.874 121.903 119.950 0.132 0.000 2.065 865 F HA -0.247 4.280 4.527 -0.001 0.000 0.298 865 F C 1.902 177.721 175.800 0.031 0.000 1.112 865 F CA 1.684 59.757 58.000 0.122 0.000 1.212 865 F CB -0.416 38.679 39.000 0.158 0.000 0.975 865 F HN -0.054 nan 8.300 nan 0.000 0.476 866 I N 0.158 120.666 120.570 -0.103 0.000 2.208 866 I HA -0.359 3.810 4.170 -0.001 0.000 0.245 866 I C 2.449 178.411 176.117 -0.259 0.000 1.097 866 I CA 1.665 62.823 61.300 -0.236 0.000 1.363 866 I CB -0.787 37.212 38.000 -0.001 0.000 1.051 866 I HN 0.303 nan 8.210 nan 0.000 0.413 867 Q N 0.572 120.284 119.800 -0.147 0.000 2.061 867 Q HA -0.213 4.126 4.340 -0.001 0.000 0.204 867 Q C 2.388 178.234 176.000 -0.256 0.000 0.984 867 Q CA 1.553 57.263 55.803 -0.155 0.000 0.846 867 Q CB -0.211 28.489 28.738 -0.063 0.000 0.902 867 Q HN 0.533 nan 8.270 nan 0.000 0.421 868 L N 0.348 121.424 121.223 -0.246 0.000 2.027 868 L HA -0.180 4.159 4.340 -0.001 0.000 0.206 868 L C 2.421 179.094 176.870 -0.328 0.000 1.074 868 L CA 0.909 55.596 54.840 -0.255 0.000 0.745 868 L CB -0.410 41.551 42.059 -0.162 0.000 0.898 868 L HN 0.104 nan 8.230 nan 0.000 0.433 869 K N 0.377 120.521 120.400 -0.427 0.000 2.057 869 K HA -0.108 4.212 4.320 -0.001 0.000 0.207 869 K C 2.105 178.496 176.600 -0.348 0.000 1.049 869 K CA 1.239 57.282 56.287 -0.406 0.000 0.931 869 K CB -0.509 31.636 32.500 -0.591 0.000 0.714 869 K HN 0.293 nan 8.250 nan 0.000 0.440 870 L N 0.875 121.868 121.223 -0.383 0.000 2.191 870 L HA -0.183 4.157 4.340 -0.001 0.000 0.212 870 L C 2.454 179.058 176.870 -0.443 0.000 1.103 870 L CA 0.984 55.592 54.840 -0.386 0.000 0.769 870 L CB -0.257 41.530 42.059 -0.454 0.000 0.908 870 L HN 0.299 nan 8.230 nan 0.000 0.438 871 E N 0.563 120.445 120.200 -0.530 0.000 2.038 871 E HA -0.231 4.118 4.350 -0.001 0.000 0.195 871 E C 1.680 178.009 176.600 -0.452 0.000 1.000 871 E CA 1.707 57.661 56.400 -0.743 0.000 0.803 871 E CB 0.115 29.437 29.700 -0.631 0.000 0.750 871 E HN 0.417 nan 8.360 nan 0.000 0.448 872 R N -0.144 120.188 120.500 -0.282 0.000 2.865 872 R HA 0.624 4.963 4.340 -0.001 0.000 0.370 872 R C -0.218 176.003 176.300 -0.131 0.000 1.168 872 R CA 0.462 56.466 56.100 -0.160 0.000 1.058 872 R CB 0.271 30.498 30.300 -0.121 0.000 1.419 872 R HN 0.225 nan 8.270 nan 0.000 0.580 873 A N 0.422 123.155 122.820 -0.145 0.000 2.294 873 A HA 0.724 5.043 4.320 -0.001 0.000 0.330 873 A C 0.739 178.283 177.584 -0.066 0.000 1.133 873 A CA 0.095 52.065 52.037 -0.112 0.000 0.836 873 A CB 0.754 19.669 19.000 -0.141 0.000 1.190 873 A HN 0.767 nan 8.150 nan 0.000 0.492 874 T N -0.564 113.963 114.554 -0.044 0.000 2.899 874 T HA 0.370 4.719 4.350 -0.001 0.000 0.295 874 T C -1.930 172.763 174.700 -0.012 0.000 1.033 874 T CA -1.099 60.987 62.100 -0.023 0.000 1.084 874 T CB 0.749 69.608 68.868 -0.017 0.000 0.979 874 T HN 0.283 nan 8.240 nan 0.000 0.532 875 P HA -0.054 nan 4.420 nan 0.000 0.215 875 P C 1.719 179.028 177.300 0.015 0.000 1.153 875 P CA 1.608 64.713 63.100 0.008 0.000 0.853 875 P CB -0.284 31.418 31.700 0.002 0.000 0.788 876 A N 0.116 122.940 122.820 0.007 0.000 1.892 876 A HA -0.283 4.036 4.320 -0.001 0.000 0.218 876 A C 2.129 179.724 177.584 0.018 0.000 1.188 876 A CA 2.013 54.055 52.037 0.009 0.000 0.631 876 A CB -1.332 17.669 19.000 0.002 0.000 0.822 876 A HN 0.216 nan 8.150 nan 0.000 0.447 877 E N -1.074 119.132 120.200 0.010 0.000 2.106 877 E HA -0.173 4.177 4.350 -0.001 0.000 0.192 877 E C 2.311 178.935 176.600 0.041 0.000 0.984 877 E CA 0.944 57.349 56.400 0.008 0.000 0.806 877 E CB -0.168 29.519 29.700 -0.021 0.000 0.750 877 E HN 0.585 nan 8.360 nan 0.000 0.458 878 R N 0.880 121.412 120.500 0.054 0.000 2.091 878 R HA -0.221 4.118 4.340 -0.001 0.000 0.238 878 R C 2.375 178.840 176.300 0.276 0.000 1.136 878 R CA 1.661 57.845 56.100 0.140 0.000 0.959 878 R CB -0.014 30.350 30.300 0.108 0.000 0.856 878 R HN 0.012 nan 8.270 nan 0.000 0.437 879 Q N 0.806 120.700 119.800 0.157 0.000 2.167 879 Q HA -0.117 4.223 4.340 -0.001 0.000 0.202 879 Q C 1.957 178.041 176.000 0.140 0.000 0.970 879 Q CA 1.304 57.189 55.803 0.136 0.000 0.855 879 Q CB -0.301 28.468 28.738 0.050 0.000 0.911 879 Q HN 0.478 nan 8.270 nan 0.000 0.438 880 L N -0.890 120.391 121.223 0.098 0.000 2.083 880 L HA -0.153 4.187 4.340 -0.001 0.000 0.209 880 L C 1.748 178.662 176.870 0.074 0.000 1.083 880 L CA 1.089 55.966 54.840 0.061 0.000 0.752 880 L CB -0.104 41.971 42.059 0.028 0.000 0.899 880 L HN 0.136 nan 8.230 nan 0.000 0.433 881 V N -0.760 119.239 119.914 0.142 0.000 2.346 881 V HA -0.270 3.849 4.120 -0.001 0.000 0.244 881 V C 2.161 178.334 176.094 0.132 0.000 1.037 881 V CA 1.827 64.229 62.300 0.169 0.000 1.029 881 V CB -0.718 31.279 31.823 0.289 0.000 0.663 881 V HN 0.453 nan 8.190 nan 0.000 0.454 882 F N 1.688 121.625 119.950 -0.021 0.000 2.091 882 F HA -0.282 4.244 4.527 -0.001 0.000 0.299 882 F C 2.218 177.883 175.800 -0.225 0.000 1.103 882 F CA 2.380 60.146 58.000 -0.390 0.000 1.228 882 F CB -0.477 38.223 39.000 -0.500 0.000 0.984 882 F HN 0.210 nan 8.300 nan 0.000 0.477 883 N N -0.215 118.488 118.700 0.005 0.000 2.094 883 N HA -0.232 4.507 4.740 -0.001 0.000 0.191 883 N C 1.417 176.848 175.510 -0.132 0.000 1.023 883 N CA 1.677 54.701 53.050 -0.044 0.000 0.857 883 N CB -0.205 38.289 38.487 0.012 0.000 1.013 883 N HN 0.481 nan 8.380 nan 0.000 0.426 884 E N 0.088 120.220 120.200 -0.115 0.000 2.442 884 E HA -0.011 4.339 4.350 -0.001 0.000 0.195 884 E C 1.762 178.277 176.600 -0.141 0.000 1.030 884 E CA 0.331 56.667 56.400 -0.106 0.000 0.869 884 E CB 0.265 29.928 29.700 -0.063 0.000 0.857 884 E HN 0.627 nan 8.360 nan 0.000 0.505 885 I N -2.128 118.298 120.570 -0.239 0.000 3.526 885 I HA 0.032 4.201 4.170 -0.001 0.000 0.294 885 I C 2.092 177.991 176.117 -0.363 0.000 1.229 885 I CA 0.000 61.150 61.300 -0.251 0.000 1.408 885 I CB 0.029 37.888 38.000 -0.235 0.000 1.127 885 I HN -0.015 nan 8.210 nan 0.000 0.439 886 L N 1.976 122.849 121.223 -0.583 0.000 1.971 886 L HA -0.216 4.123 4.340 -0.001 0.000 0.215 886 L C 2.660 179.369 176.870 -0.269 0.000 1.072 886 L CA 2.103 56.589 54.840 -0.589 0.000 0.758 886 L CB -0.983 40.633 42.059 -0.738 0.000 0.889 886 L HN 0.254 nan 8.230 nan 0.000 0.433 887 Q N 0.141 119.830 119.800 -0.185 0.000 2.077 887 Q HA -0.080 4.260 4.340 -0.001 0.000 0.206 887 Q C 1.480 177.443 176.000 -0.061 0.000 0.989 887 Q CA 1.798 57.543 55.803 -0.096 0.000 0.853 887 Q CB -0.706 27.989 28.738 -0.072 0.000 0.907 887 Q HN 0.667 nan 8.270 nan 0.000 0.418 888 A N -0.243 122.536 122.820 -0.067 0.000 3.159 888 A HA 0.562 4.881 4.320 -0.001 0.000 0.301 888 A C 1.379 178.944 177.584 -0.032 0.000 1.271 888 A CA 0.546 52.567 52.037 -0.027 0.000 0.998 888 A CB -0.104 18.881 19.000 -0.024 0.000 1.101 888 A HN 0.223 nan 8.150 nan 0.000 0.610 889 A N -0.228 122.564 122.820 -0.047 0.000 1.902 889 A HA -0.123 4.197 4.320 -0.001 0.000 0.217 889 A C 1.872 179.482 177.584 0.043 0.000 1.181 889 A CA 1.766 53.775 52.037 -0.046 0.000 0.623 889 A CB -0.727 18.224 19.000 -0.082 0.000 0.818 889 A HN 0.810 nan 8.150 nan 0.000 0.443 890 Y N 0.883 121.146 120.300 -0.061 0.000 2.081 890 Y HA -0.301 4.248 4.550 -0.001 0.000 0.280 890 Y C 2.496 178.357 175.900 -0.065 0.000 1.163 890 Y CA 2.260 60.313 58.100 -0.079 0.000 1.135 890 Y CB -0.831 37.529 38.460 -0.167 0.000 0.970 890 Y HN 0.492 nan 8.280 nan 0.000 0.498 891 Q N -0.345 119.378 119.800 -0.128 0.000 2.217 891 Q HA -0.227 4.113 4.340 -0.001 0.000 0.209 891 Q C 2.226 178.128 176.000 -0.164 0.000 0.988 891 Q CA 1.978 57.664 55.803 -0.196 0.000 0.878 891 Q CB -0.327 28.366 28.738 -0.076 0.000 0.909 891 Q HN 0.528 nan 8.270 nan 0.000 0.424 892 L N -0.656 120.510 121.223 -0.096 0.000 2.270 892 L HA -0.023 4.317 4.340 -0.001 0.000 0.210 892 L C 2.228 179.063 176.870 -0.058 0.000 1.104 892 L CA 0.415 55.222 54.840 -0.054 0.000 0.804 892 L CB -0.225 41.827 42.059 -0.012 0.000 0.937 892 L HN 0.307 nan 8.230 nan 0.000 0.450 893 M N -0.081 119.479 119.600 -0.067 0.000 2.374 893 M HA -0.096 4.383 4.480 -0.001 0.000 0.264 893 M C 1.664 177.926 176.300 -0.064 0.000 1.067 893 M CA 1.238 56.524 55.300 -0.024 0.000 1.103 893 M CB -0.043 32.587 32.600 0.050 0.000 1.402 893 M HN 0.259 nan 8.290 nan 0.000 0.444 894 V N -4.077 115.733 119.914 -0.172 0.000 3.483 894 V HA 0.202 4.321 4.120 -0.001 0.000 0.301 894 V C 0.298 176.352 176.094 -0.067 0.000 1.389 894 V CA -0.479 61.748 62.300 -0.120 0.000 1.101 894 V CB -0.465 31.187 31.823 -0.286 0.000 0.971 894 V HN 0.173 nan 8.190 nan 0.000 0.434 895 D N 0.466 120.788 120.400 -0.130 0.000 2.255 895 D HA 0.152 4.792 4.640 -0.001 0.000 0.249 895 D C 1.239 177.251 176.300 -0.480 0.000 1.078 895 D CA 0.260 54.150 54.000 -0.182 0.000 0.896 895 D CB 2.768 43.509 40.800 -0.098 0.000 1.194 895 D HN 0.013 nan 8.370 nan 0.000 0.429 896 V N 4.231 123.756 119.914 -0.648 0.000 2.380 896 V HA -0.237 3.882 4.120 -0.001 0.000 0.251 896 V C 1.178 176.659 176.094 -1.021 0.000 1.063 896 V CA 1.797 63.325 62.300 -1.287 0.000 1.055 896 V CB -0.483 30.865 31.823 -0.791 0.000 0.657 896 V HN 0.616 nan 8.190 nan 0.000 0.455 897 F N -0.182 119.628 119.950 -0.233 0.000 2.637 897 F HA 0.379 4.906 4.527 -0.001 0.000 0.284 897 F C 2.323 178.173 175.800 0.083 0.000 1.105 897 F CA 0.647 58.637 58.000 -0.017 0.000 1.356 897 F CB -0.556 38.413 39.000 -0.051 0.000 1.096 897 F HN 0.176 nan 8.300 nan 0.000 0.616 898 G N 1.093 109.990 108.800 0.162 0.000 2.432 898 G HA2 -0.341 3.619 3.960 -0.001 0.000 0.219 898 G HA3 -0.341 3.619 3.960 -0.001 0.000 0.219 898 G C 1.303 176.273 174.900 0.117 0.000 1.135 898 G CA 1.237 46.416 45.100 0.132 0.000 0.767 898 G HN 0.493 nan 8.290 nan 0.000 0.550 899 N N -0.375 118.340 118.700 0.026 0.000 2.334 899 N HA -0.213 4.527 4.740 -0.001 0.000 0.187 899 N C 1.611 177.125 175.510 0.007 0.000 1.016 899 N CA 1.440 54.478 53.050 -0.019 0.000 0.879 899 N CB -0.605 37.812 38.487 -0.117 0.000 0.965 899 N HN 0.459 nan 8.380 nan 0.000 0.438 900 Y N -0.411 119.934 120.300 0.074 0.000 2.395 900 Y HA 0.127 4.677 4.550 -0.001 0.000 0.293 900 Y C 2.243 178.206 175.900 0.104 0.000 1.123 900 Y CA 0.408 58.566 58.100 0.096 0.000 1.227 900 Y CB 0.065 38.579 38.460 0.090 0.000 1.012 900 Y HN -0.001 nan 8.280 nan 0.000 0.552 901 V N -0.090 119.981 119.914 0.260 0.000 2.379 901 V HA -0.266 3.853 4.120 -0.001 0.000 0.245 901 V C 2.110 178.365 176.094 0.269 0.000 1.044 901 V CA 1.661 64.088 62.300 0.212 0.000 1.036 901 V CB -0.526 31.414 31.823 0.195 0.000 0.664 901 V HN 0.349 nan 8.190 nan 0.000 0.453 902 I N -0.273 120.435 120.570 0.230 0.000 2.179 902 I HA -0.292 3.877 4.170 -0.001 0.000 0.242 902 I C 2.721 178.996 176.117 0.264 0.000 1.088 902 I CA 1.572 63.006 61.300 0.222 0.000 1.357 902 I CB -0.425 37.667 38.000 0.153 0.000 1.051 902 I HN 0.352 nan 8.210 nan 0.000 0.409 903 Q N 0.567 120.526 119.800 0.265 0.000 2.135 903 Q HA -0.291 4.049 4.340 -0.001 0.000 0.204 903 Q C 2.188 178.320 176.000 0.220 0.000 0.981 903 Q CA 1.620 57.601 55.803 0.296 0.000 0.856 903 Q CB -0.216 28.631 28.738 0.182 0.000 0.902 903 Q HN 0.375 nan 8.270 nan 0.000 0.425 904 K N -0.020 120.489 120.400 0.182 0.000 2.280 904 K HA -0.119 4.201 4.320 -0.001 0.000 0.202 904 K C 1.377 178.011 176.600 0.058 0.000 1.047 904 K CA 0.804 57.177 56.287 0.144 0.000 0.942 904 K CB 0.040 32.576 32.500 0.061 0.000 0.739 904 K HN 0.050 nan 8.250 nan 0.000 0.457 905 F N -0.740 119.235 119.950 0.042 0.000 2.456 905 F HA 0.045 4.572 4.527 -0.001 0.000 0.298 905 F C 1.150 176.852 175.800 -0.164 0.000 1.104 905 F CA 0.738 58.712 58.000 -0.044 0.000 1.435 905 F CB 0.083 39.055 39.000 -0.047 0.000 1.078 905 F HN -0.020 nan 8.300 nan 0.000 0.546 906 F N -0.372 119.616 119.950 0.063 0.000 2.710 906 F HA -0.012 4.515 4.527 -0.001 0.000 0.298 906 F C 1.967 177.424 175.800 -0.572 0.000 1.137 906 F CA 0.520 58.458 58.000 -0.103 0.000 1.444 906 F CB -0.019 38.962 39.000 -0.033 0.000 1.111 906 F HN -0.028 nan 8.300 nan 0.000 0.580 907 E N -0.592 119.319 120.200 -0.482 0.000 2.083 907 E HA 0.041 4.390 4.350 -0.001 0.000 0.193 907 E C 0.598 176.738 176.600 -0.767 0.000 0.950 907 E CA 0.559 56.374 56.400 -0.974 0.000 0.849 907 E CB -0.045 29.098 29.700 -0.927 0.000 0.827 907 E HN 0.227 nan 8.360 nan 0.000 0.465 908 F N 0.843 120.665 119.950 -0.212 0.000 2.730 908 F HA 0.346 4.872 4.527 -0.001 0.000 0.295 908 F C 0.788 176.507 175.800 -0.134 0.000 1.143 908 F CA -0.470 57.435 58.000 -0.159 0.000 1.367 908 F CB 0.707 39.596 39.000 -0.185 0.000 0.970 908 F HN -0.079 nan 8.300 nan 0.000 0.514 909 G N -0.162 108.659 108.800 0.034 0.000 2.509 909 G HA2 0.482 4.442 3.960 -0.001 0.000 0.328 909 G HA3 0.482 4.442 3.960 -0.001 0.000 0.328 909 G C -0.525 174.404 174.900 0.048 0.000 1.194 909 G CA -0.665 44.508 45.100 0.121 0.000 0.967 909 G HN 0.177 nan 8.290 nan 0.000 0.488 910 S N -0.274 115.434 115.700 0.013 0.000 2.610 910 S HA 0.225 4.695 4.470 -0.001 0.000 0.273 910 S C 1.403 175.971 174.600 -0.054 0.000 1.274 910 S CA -0.591 57.591 58.200 -0.031 0.000 1.023 910 S CB 1.573 64.736 63.200 -0.062 0.000 0.962 910 S HN 0.643 nan 8.310 nan 0.000 0.523 911 L N 1.380 122.588 121.223 -0.025 0.000 2.089 911 L HA -0.154 4.186 4.340 -0.001 0.000 0.213 911 L C 2.156 178.998 176.870 -0.047 0.000 1.079 911 L CA 2.113 56.947 54.840 -0.010 0.000 0.758 911 L CB -0.990 41.071 42.059 0.003 0.000 0.891 911 L HN 0.857 nan 8.230 nan 0.000 0.433 912 E N -0.794 119.348 120.200 -0.096 0.000 2.106 912 E HA -0.219 4.130 4.350 -0.001 0.000 0.192 912 E C 2.194 178.658 176.600 -0.227 0.000 0.984 912 E CA 1.412 57.734 56.400 -0.130 0.000 0.806 912 E CB -0.259 29.355 29.700 -0.144 0.000 0.750 912 E HN 0.646 nan 8.360 nan 0.000 0.458 913 Q N 0.375 119.952 119.800 -0.372 0.000 2.083 913 Q HA -0.029 4.310 4.340 -0.001 0.000 0.198 913 Q C 1.963 177.811 176.000 -0.254 0.000 0.969 913 Q CA 0.995 56.396 55.803 -0.669 0.000 0.838 913 Q CB 0.000 28.220 28.738 -0.863 0.000 0.900 913 Q HN 0.147 nan 8.270 nan 0.000 0.436 914 K N 0.577 120.903 120.400 -0.123 0.000 2.025 914 K HA -0.094 4.225 4.320 -0.001 0.000 0.207 914 K C 2.061 178.727 176.600 0.110 0.000 1.049 914 K CA 1.038 57.323 56.287 -0.002 0.000 0.933 914 K CB -0.115 32.483 32.500 0.164 0.000 0.714 914 K HN 0.166 nan 8.250 nan 0.000 0.438 915 L N 0.462 121.728 121.223 0.073 0.000 2.131 915 L HA -0.163 4.176 4.340 -0.001 0.000 0.210 915 L C 2.563 179.482 176.870 0.082 0.000 1.092 915 L CA 0.931 55.822 54.840 0.086 0.000 0.759 915 L CB -0.616 41.470 42.059 0.045 0.000 0.903 915 L HN 0.212 nan 8.230 nan 0.000 0.435 916 A N 0.416 123.269 122.820 0.056 0.000 1.873 916 A HA -0.134 4.186 4.320 -0.001 0.000 0.215 916 A C 2.261 179.929 177.584 0.139 0.000 1.186 916 A CA 1.275 53.378 52.037 0.109 0.000 0.616 916 A CB -0.622 18.483 19.000 0.175 0.000 0.823 916 A HN 0.337 nan 8.150 nan 0.000 0.442 917 L N -0.714 120.585 121.223 0.128 0.000 2.046 917 L HA -0.195 4.144 4.340 -0.001 0.000 0.208 917 L C 3.088 180.081 176.870 0.204 0.000 1.077 917 L CA 1.025 55.919 54.840 0.090 0.000 0.747 917 L CB -0.556 41.406 42.059 -0.161 0.000 0.896 917 L HN 0.439 nan 8.230 nan 0.000 0.432 918 A N -0.019 122.956 122.820 0.259 0.000 1.933 918 A HA -0.263 4.057 4.320 -0.001 0.000 0.218 918 A C 2.195 179.860 177.584 0.135 0.000 1.175 918 A CA 1.942 54.121 52.037 0.235 0.000 0.628 918 A CB -0.458 18.667 19.000 0.207 0.000 0.814 918 A HN 0.397 nan 8.150 nan 0.000 0.444 919 E N -0.028 120.234 120.200 0.103 0.000 2.153 919 E HA -0.136 4.214 4.350 -0.001 0.000 0.194 919 E C 2.006 178.641 176.600 0.057 0.000 0.988 919 E CA 0.996 57.433 56.400 0.061 0.000 0.811 919 E CB -0.139 29.591 29.700 0.049 0.000 0.746 919 E HN 0.386 nan 8.360 nan 0.000 0.466 920 R N -0.202 120.349 120.500 0.084 0.000 2.276 920 R HA 0.086 4.425 4.340 -0.001 0.000 0.203 920 R C 1.951 178.336 176.300 0.141 0.000 1.017 920 R CA 0.591 56.745 56.100 0.090 0.000 1.010 920 R CB -0.110 30.232 30.300 0.070 0.000 0.900 920 R HN 0.382 nan 8.270 nan 0.000 0.469 921 I N -0.145 120.510 120.570 0.142 0.000 3.081 921 I HA -0.027 4.142 4.170 -0.001 0.000 0.274 921 I C 0.840 176.990 176.117 0.054 0.000 1.178 921 I CA -0.036 61.359 61.300 0.159 0.000 1.460 921 I CB 0.054 38.159 38.000 0.176 0.000 1.137 921 I HN -0.056 nan 8.210 nan 0.000 0.443 922 R N 0.972 121.474 120.500 0.004 0.000 2.577 922 R HA -0.166 4.173 4.340 -0.001 0.000 0.274 922 R C 1.342 177.515 176.300 -0.212 0.000 0.977 922 R CA 1.219 57.275 56.100 -0.073 0.000 1.087 922 R CB -0.288 29.968 30.300 -0.074 0.000 0.898 922 R HN 0.512 nan 8.270 nan 0.000 0.429 923 G N 0.714 109.376 108.800 -0.231 0.000 2.216 923 G HA2 -0.318 3.642 3.960 -0.001 0.000 0.269 923 G HA3 -0.318 3.642 3.960 -0.001 0.000 0.269 923 G C 0.458 175.045 174.900 -0.522 0.000 0.981 923 G CA 1.045 45.919 45.100 -0.377 0.000 0.658 923 G HN 0.796 nan 8.290 nan 0.000 0.539 924 H N -1.398 117.601 119.070 -0.117 0.000 3.058 924 H HA 0.319 4.874 4.556 -0.001 0.000 0.266 924 H C 2.286 177.589 175.328 -0.041 0.000 1.135 924 H CA 0.389 56.358 56.048 -0.132 0.000 1.174 924 H CB 0.133 29.734 29.762 -0.268 0.000 1.581 924 H HN 0.252 nan 8.280 nan 0.000 0.553 925 V N 1.235 121.170 119.914 0.035 0.000 2.317 925 V HA -0.270 3.849 4.120 -0.001 0.000 0.251 925 V C 2.451 178.552 176.094 0.013 0.000 1.065 925 V CA 1.826 64.144 62.300 0.030 0.000 1.049 925 V CB -0.443 31.378 31.823 -0.003 0.000 0.651 925 V HN 0.214 nan 8.190 nan 0.000 0.450 926 L N -0.164 121.035 121.223 -0.039 0.000 2.049 926 L HA -0.031 4.309 4.340 -0.001 0.000 0.203 926 L C 2.638 179.498 176.870 -0.017 0.000 1.074 926 L CA 2.302 57.096 54.840 -0.076 0.000 0.749 926 L CB -0.896 41.017 42.059 -0.242 0.000 0.907 926 L HN 0.303 nan 8.230 nan 0.000 0.439 927 S N -0.836 114.876 115.700 0.020 0.000 2.387 927 S HA -0.200 4.269 4.470 -0.001 0.000 0.230 927 S C 2.027 176.693 174.600 0.110 0.000 1.035 927 S CA 1.887 60.134 58.200 0.078 0.000 1.014 927 S CB -0.400 62.884 63.200 0.139 0.000 0.836 927 S HN 0.473 nan 8.310 nan 0.000 0.466 928 L N 0.666 121.973 121.223 0.141 0.000 2.179 928 L HA 0.112 4.452 4.340 -0.001 0.000 0.208 928 L C 2.803 179.709 176.870 0.059 0.000 1.096 928 L CA 0.936 55.857 54.840 0.134 0.000 0.779 928 L CB -0.508 41.660 42.059 0.183 0.000 0.922 928 L HN 0.383 nan 8.230 nan 0.000 0.443 929 A N -0.237 122.607 122.820 0.039 0.000 2.067 929 A HA -0.051 4.268 4.320 -0.001 0.000 0.219 929 A C 2.023 179.604 177.584 -0.006 0.000 1.158 929 A CA 1.146 53.191 52.037 0.012 0.000 0.661 929 A CB -0.403 18.603 19.000 0.010 0.000 0.801 929 A HN 0.416 nan 8.150 nan 0.000 0.452 930 L N -0.864 120.358 121.223 -0.002 0.000 2.640 930 L HA 0.133 4.472 4.340 -0.001 0.000 0.230 930 L C 0.866 177.721 176.870 -0.025 0.000 1.123 930 L CA -0.184 54.647 54.840 -0.015 0.000 0.900 930 L CB 0.125 42.181 42.059 -0.005 0.000 1.146 930 L HN 0.286 nan 8.230 nan 0.000 0.484 931 Q N 0.889 120.677 119.800 -0.019 0.000 2.256 931 Q HA 0.090 4.430 4.340 -0.001 0.000 0.254 931 Q C 0.872 176.812 176.000 -0.099 0.000 0.916 931 Q CA -0.057 55.724 55.803 -0.037 0.000 0.932 931 Q CB 1.965 30.699 28.738 -0.006 0.000 1.207 931 Q HN 0.198 nan 8.270 nan 0.000 0.426 932 M N 4.027 123.525 119.600 -0.170 0.000 2.103 932 M HA -0.299 4.180 4.480 -0.001 0.000 0.255 932 M C 0.265 176.248 176.300 -0.529 0.000 1.074 932 M CA 2.216 57.292 55.300 -0.373 0.000 1.090 932 M CB 0.004 32.306 32.600 -0.497 0.000 1.325 932 M HN 0.729 nan 8.290 nan 0.000 0.403 933 Y N -1.761 118.483 120.300 -0.093 0.000 2.524 933 Y HA 0.284 4.834 4.550 -0.001 0.000 0.270 933 Y C 2.355 178.197 175.900 -0.098 0.000 1.094 933 Y CA 0.361 58.389 58.100 -0.120 0.000 1.276 933 Y CB -0.540 37.837 38.460 -0.138 0.000 1.130 933 Y HN 0.310 nan 8.280 nan 0.000 0.536 934 G N 0.235 109.063 108.800 0.048 0.000 2.422 934 G HA2 -0.324 3.636 3.960 -0.001 0.000 0.218 934 G HA3 -0.324 3.636 3.960 -0.001 0.000 0.218 934 G C 1.770 176.686 174.900 0.027 0.000 1.146 934 G CA 1.356 46.481 45.100 0.041 0.000 0.769 934 G HN 0.601 nan 8.290 nan 0.000 0.547 935 C N 0.471 119.765 119.300 -0.009 0.000 2.413 935 C HA 0.098 4.557 4.460 -0.001 0.000 0.277 935 C C 2.722 177.696 174.990 -0.025 0.000 1.265 935 C CA 0.770 59.778 59.018 -0.017 0.000 1.752 935 C CB -0.932 26.787 27.740 -0.034 0.000 1.998 935 C HN 0.314 nan 8.230 nan 0.000 0.489 936 R N 1.231 121.705 120.500 -0.042 0.000 2.096 936 R HA -0.016 4.323 4.340 -0.001 0.000 0.235 936 R C 2.330 178.618 176.300 -0.020 0.000 1.127 936 R CA 1.400 57.468 56.100 -0.054 0.000 0.968 936 R CB -1.110 29.138 30.300 -0.087 0.000 0.861 936 R HN 0.599 nan 8.270 nan 0.000 0.440 937 V N 1.620 121.543 119.914 0.014 0.000 2.358 937 V HA -0.191 3.929 4.120 -0.001 0.000 0.246 937 V C 2.430 178.528 176.094 0.007 0.000 1.047 937 V CA 1.265 63.605 62.300 0.067 0.000 1.035 937 V CB -0.374 31.526 31.823 0.129 0.000 0.658 937 V HN 0.123 nan 8.190 nan 0.000 0.452 938 I N 0.121 120.690 120.570 -0.002 0.000 2.226 938 I HA -0.245 3.925 4.170 -0.001 0.000 0.245 938 I C 2.599 178.665 176.117 -0.086 0.000 1.100 938 I CA 1.595 62.870 61.300 -0.042 0.000 1.374 938 I CB -1.353 36.644 38.000 -0.005 0.000 1.057 938 I HN 0.457 nan 8.210 nan 0.000 0.413 939 Q N 0.606 120.373 119.800 -0.056 0.000 2.050 939 Q HA -0.255 4.085 4.340 -0.001 0.000 0.202 939 Q C 2.257 178.218 176.000 -0.065 0.000 0.980 939 Q CA 1.730 57.499 55.803 -0.057 0.000 0.840 939 Q CB -0.231 28.484 28.738 -0.038 0.000 0.898 939 Q HN 0.437 nan 8.270 nan 0.000 0.424 940 K N 0.561 120.937 120.400 -0.040 0.000 2.103 940 K HA -0.085 4.234 4.320 -0.001 0.000 0.204 940 K C 2.045 178.580 176.600 -0.109 0.000 1.052 940 K CA 0.927 57.241 56.287 0.045 0.000 0.945 940 K CB -0.107 32.465 32.500 0.119 0.000 0.722 940 K HN 0.175 nan 8.250 nan 0.000 0.443 941 A N 1.392 123.907 122.820 -0.508 0.000 1.865 941 A HA -0.156 4.163 4.320 -0.001 0.000 0.217 941 A C 2.057 179.393 177.584 -0.415 0.000 1.191 941 A CA 1.554 52.957 52.037 -1.058 0.000 0.623 941 A CB -0.854 17.566 19.000 -0.968 0.000 0.826 941 A HN 0.335 nan 8.150 nan 0.000 0.444 942 L N -0.899 120.179 121.223 -0.241 0.000 2.261 942 L HA -0.219 4.121 4.340 -0.001 0.000 0.216 942 L C 2.516 179.294 176.870 -0.153 0.000 1.114 942 L CA 1.674 56.425 54.840 -0.149 0.000 0.777 942 L CB -0.467 41.523 42.059 -0.114 0.000 0.910 942 L HN 0.565 nan 8.230 nan 0.000 0.440 943 E N -0.302 119.798 120.200 -0.166 0.000 2.158 943 E HA -0.107 4.243 4.350 -0.001 0.000 0.191 943 E C 1.254 177.559 176.600 -0.493 0.000 0.982 943 E CA 0.872 57.072 56.400 -0.334 0.000 0.823 943 E CB 0.242 29.716 29.700 -0.376 0.000 0.766 943 E HN 0.448 nan 8.360 nan 0.000 0.468 944 F N 0.052 119.948 119.950 -0.090 0.000 2.706 944 F HA 0.272 4.799 4.527 -0.001 0.000 0.313 944 F C 0.564 176.385 175.800 0.036 0.000 1.096 944 F CA -0.525 57.470 58.000 -0.009 0.000 1.219 944 F CB 0.447 39.482 39.000 0.059 0.000 1.051 944 F HN -0.079 nan 8.300 nan 0.000 0.568 945 I N -1.709 118.941 120.570 0.133 0.000 2.566 945 I HA 0.591 4.760 4.170 -0.001 0.000 0.303 945 I C -2.468 173.685 176.117 0.061 0.000 0.983 945 I CA -2.438 58.941 61.300 0.130 0.000 1.235 945 I CB 0.701 38.770 38.000 0.116 0.000 1.386 945 I HN -0.268 nan 8.210 nan 0.000 0.494 946 P HA -0.039 nan 4.420 nan 0.000 0.269 946 P C 0.798 178.106 177.300 0.014 0.000 1.205 946 P CA 0.107 63.227 63.100 0.033 0.000 0.780 946 P CB 0.570 32.293 31.700 0.038 0.000 0.858 947 S N 0.037 115.738 115.700 0.002 0.000 2.383 947 S HA -0.216 4.253 4.470 -0.001 0.000 0.229 947 S C 1.272 175.873 174.600 0.001 0.000 1.030 947 S CA 1.815 60.011 58.200 -0.005 0.000 1.002 947 S CB -0.956 62.240 63.200 -0.008 0.000 0.829 947 S HN 0.361 nan 8.310 nan 0.000 0.467 948 D N 1.350 121.754 120.400 0.007 0.000 2.117 948 D HA -0.005 4.634 4.640 -0.001 0.000 0.198 948 D C 2.191 178.497 176.300 0.010 0.000 0.982 948 D CA 1.131 55.135 54.000 0.007 0.000 0.828 948 D CB -0.519 40.286 40.800 0.008 0.000 0.967 948 D HN 0.389 nan 8.370 nan 0.000 0.464 949 Q N 0.247 120.059 119.800 0.020 0.000 2.224 949 Q HA -0.033 4.306 4.340 -0.001 0.000 0.203 949 Q C 2.023 178.033 176.000 0.017 0.000 0.970 949 Q CA 0.901 56.721 55.803 0.029 0.000 0.865 949 Q CB -0.001 28.771 28.738 0.057 0.000 0.922 949 Q HN 0.414 nan 8.270 nan 0.000 0.445 950 Q N -0.381 119.422 119.800 0.005 0.000 2.020 950 Q HA -0.079 4.261 4.340 -0.001 0.000 0.198 950 Q C 1.658 177.659 176.000 0.002 0.000 0.974 950 Q CA 1.086 56.885 55.803 -0.007 0.000 0.829 950 Q CB -0.059 28.667 28.738 -0.019 0.000 0.894 950 Q HN 0.455 nan 8.270 nan 0.000 0.433 951 N N 1.065 119.768 118.700 0.005 0.000 2.104 951 N HA -0.187 4.552 4.740 -0.001 0.000 0.190 951 N C 1.610 177.117 175.510 -0.006 0.000 1.024 951 N CA 1.282 54.337 53.050 0.009 0.000 0.853 951 N CB -0.203 38.288 38.487 0.007 0.000 1.008 951 N HN 0.346 nan 8.380 nan 0.000 0.424 952 E N 0.865 121.060 120.200 -0.009 0.000 2.058 952 E HA -0.190 4.159 4.350 -0.001 0.000 0.194 952 E C 2.040 178.625 176.600 -0.024 0.000 0.997 952 E CA 0.971 57.359 56.400 -0.020 0.000 0.801 952 E CB -0.141 29.553 29.700 -0.009 0.000 0.746 952 E HN 0.310 nan 8.360 nan 0.000 0.450 953 M N 0.578 120.173 119.600 -0.008 0.000 2.067 953 M HA -0.159 4.320 4.480 -0.001 0.000 0.260 953 M C 2.468 178.766 176.300 -0.003 0.000 1.069 953 M CA 1.295 56.592 55.300 -0.005 0.000 1.117 953 M CB -0.091 32.511 32.600 0.003 0.000 1.334 953 M HN 0.077 nan 8.290 nan 0.000 0.407 954 V N 0.642 120.566 119.914 0.017 0.000 2.720 954 V HA -0.243 3.876 4.120 -0.001 0.000 0.256 954 V C 2.100 178.194 176.094 -0.001 0.000 1.082 954 V CA 1.737 64.080 62.300 0.071 0.000 1.101 954 V CB -0.675 31.229 31.823 0.134 0.000 0.693 954 V HN 0.480 nan 8.190 nan 0.000 0.479 955 R N -0.274 120.164 120.500 -0.103 0.000 2.189 955 R HA -0.102 4.237 4.340 -0.001 0.000 0.223 955 R C 1.921 178.083 176.300 -0.229 0.000 1.092 955 R CA 1.361 57.299 56.100 -0.271 0.000 0.989 955 R CB -0.171 30.019 30.300 -0.185 0.000 0.876 955 R HN 0.634 nan 8.270 nan 0.000 0.457 956 E N 0.234 120.371 120.200 -0.106 0.000 2.478 956 E HA -0.100 4.250 4.350 -0.001 0.000 0.198 956 E C 0.947 177.546 176.600 -0.001 0.000 1.046 956 E CA 0.424 56.786 56.400 -0.062 0.000 0.870 956 E CB 0.220 29.885 29.700 -0.059 0.000 0.818 956 E HN 0.152 nan 8.360 nan 0.000 0.527 957 L N 0.421 121.661 121.223 0.028 0.000 2.416 957 L HA 0.040 4.379 4.340 -0.001 0.000 0.216 957 L C 0.797 177.837 176.870 0.282 0.000 1.098 957 L CA 0.420 55.376 54.840 0.192 0.000 0.840 957 L CB -0.013 42.206 42.059 0.266 0.000 0.981 957 L HN -0.066 nan 8.230 nan 0.000 0.462 958 D N 0.994 121.342 120.400 -0.087 0.000 2.502 958 D HA 0.232 4.871 4.640 -0.001 0.000 0.249 958 D C 1.308 177.600 176.300 -0.014 0.000 1.188 958 D CA 1.403 55.288 54.000 -0.192 0.000 0.890 958 D CB 0.388 40.790 40.800 -0.663 0.000 1.140 958 D HN 0.376 nan 8.370 nan 0.000 0.505 959 G N 4.058 112.867 108.800 0.015 0.000 2.179 959 G HA2 -0.206 3.754 3.960 -0.001 0.000 0.220 959 G HA3 -0.206 3.754 3.960 -0.001 0.000 0.220 959 G C 0.702 175.314 174.900 -0.480 0.000 0.990 959 G CA 0.092 45.047 45.100 -0.241 0.000 0.646 959 G HN 0.683 nan 8.290 nan 0.000 0.517 960 H N -0.674 118.447 119.070 0.085 0.000 3.052 960 H HA 0.292 4.848 4.556 -0.001 0.000 0.257 960 H C 2.120 177.493 175.328 0.075 0.000 1.193 960 H CA 0.476 56.560 56.048 0.060 0.000 1.072 960 H CB 0.395 30.185 29.762 0.047 0.000 1.685 960 H HN 0.228 nan 8.280 nan 0.000 0.630 961 V N 1.143 121.171 119.914 0.191 0.000 2.231 961 V HA -0.299 3.820 4.120 -0.001 0.000 0.248 961 V C 2.392 178.528 176.094 0.070 0.000 1.054 961 V CA 1.686 64.081 62.300 0.157 0.000 1.015 961 V CB -0.530 31.394 31.823 0.169 0.000 0.638 961 V HN 0.205 nan 8.190 nan 0.000 0.444 962 L N -0.240 120.983 121.223 0.001 0.000 2.187 962 L HA -0.177 4.162 4.340 -0.001 0.000 0.213 962 L C 2.340 179.168 176.870 -0.069 0.000 1.100 962 L CA 1.842 56.626 54.840 -0.094 0.000 0.765 962 L CB -0.990 40.994 42.059 -0.126 0.000 0.904 962 L HN 0.352 nan 8.230 nan 0.000 0.437 963 K N -1.611 118.789 120.400 -0.001 0.000 2.186 963 K HA -0.076 4.243 4.320 -0.001 0.000 0.202 963 K C 2.188 178.796 176.600 0.014 0.000 1.052 963 K CA 0.878 57.172 56.287 0.012 0.000 0.965 963 K CB -0.014 32.521 32.500 0.058 0.000 0.746 963 K HN 0.329 nan 8.250 nan 0.000 0.457 964 C N 0.089 119.408 119.300 0.032 0.000 2.466 964 C HA -0.010 4.450 4.460 -0.001 0.000 0.278 964 C C 2.396 177.378 174.990 -0.013 0.000 1.288 964 C CA 0.288 59.316 59.018 0.017 0.000 1.722 964 C CB -0.305 27.464 27.740 0.048 0.000 2.017 964 C HN 0.257 nan 8.230 nan 0.000 0.488 965 V N 0.885 120.794 119.914 -0.008 0.000 2.759 965 V HA -0.155 3.964 4.120 -0.001 0.000 0.256 965 V C 1.845 177.928 176.094 -0.017 0.000 1.080 965 V CA 1.722 64.012 62.300 -0.016 0.000 1.101 965 V CB -0.575 31.239 31.823 -0.014 0.000 0.698 965 V HN 0.607 nan 8.190 nan 0.000 0.477 966 K N -0.272 120.103 120.400 -0.042 0.000 2.373 966 K HA 0.142 4.462 4.320 -0.001 0.000 0.202 966 K C 0.323 177.076 176.600 0.256 0.000 1.025 966 K CA -0.106 56.196 56.287 0.024 0.000 1.115 966 K CB 0.357 32.709 32.500 -0.245 0.000 0.858 966 K HN 0.386 nan 8.250 nan 0.000 0.525 967 D N 1.359 121.822 120.400 0.106 0.000 2.192 967 D HA -0.001 4.638 4.640 -0.001 0.000 0.246 967 D C 0.923 177.083 176.300 -0.233 0.000 1.042 967 D CA -0.158 53.861 54.000 0.032 0.000 0.847 967 D CB 1.429 42.221 40.800 -0.015 0.000 1.186 967 D HN 0.155 nan 8.370 nan 0.000 0.461 968 Q N 3.162 122.811 119.800 -0.253 0.000 2.197 968 Q HA -0.226 4.114 4.340 -0.001 0.000 0.207 968 Q C 0.517 176.270 176.000 -0.412 0.000 0.984 968 Q CA 1.377 56.812 55.803 -0.614 0.000 0.869 968 Q CB -0.021 28.615 28.738 -0.170 0.000 0.906 968 Q HN 0.402 nan 8.270 nan 0.000 0.426 969 N N 0.742 119.321 118.700 -0.202 0.000 2.333 969 N HA -0.007 4.732 4.740 -0.001 0.000 0.183 969 N C 2.075 177.530 175.510 -0.090 0.000 1.030 969 N CA 1.146 54.144 53.050 -0.086 0.000 0.867 969 N CB -0.639 37.799 38.487 -0.082 0.000 1.027 969 N HN 0.404 nan 8.380 nan 0.000 0.435 970 G N 2.341 111.078 108.800 -0.104 0.000 2.503 970 G HA2 -0.348 3.611 3.960 -0.001 0.000 0.221 970 G HA3 -0.348 3.611 3.960 -0.001 0.000 0.221 970 G C 1.381 176.219 174.900 -0.104 0.000 1.131 970 G CA 1.651 46.707 45.100 -0.074 0.000 0.756 970 G HN 0.586 nan 8.290 nan 0.000 0.572 971 N N -0.278 118.290 118.700 -0.220 0.000 2.205 971 N HA -0.166 4.573 4.740 -0.001 0.000 0.186 971 N C 1.801 177.164 175.510 -0.245 0.000 1.015 971 N CA 1.717 54.618 53.050 -0.248 0.000 0.862 971 N CB -0.642 37.622 38.487 -0.372 0.000 0.986 971 N HN 0.410 nan 8.380 nan 0.000 0.429 972 H N -0.582 118.407 119.070 -0.135 0.000 2.428 972 H HA 0.104 4.659 4.556 -0.001 0.000 0.296 972 H C 1.956 177.235 175.328 -0.080 0.000 1.062 972 H CA 1.074 57.059 56.048 -0.106 0.000 1.350 972 H CB -0.005 29.686 29.762 -0.119 0.000 1.403 972 H HN 0.155 nan 8.280 nan 0.000 0.533 973 V N 0.511 120.445 119.914 0.034 0.000 2.379 973 V HA -0.167 3.953 4.120 -0.001 0.000 0.245 973 V C 2.707 178.793 176.094 -0.012 0.000 1.044 973 V CA 1.005 63.308 62.300 0.005 0.000 1.036 973 V CB -0.449 31.375 31.823 0.002 0.000 0.664 973 V HN 0.163 nan 8.190 nan 0.000 0.453 974 V N -0.253 119.651 119.914 -0.018 0.000 2.407 974 V HA -0.308 3.812 4.120 -0.001 0.000 0.248 974 V C 2.440 178.503 176.094 -0.052 0.000 1.055 974 V CA 1.929 64.213 62.300 -0.026 0.000 1.049 974 V CB -0.722 31.094 31.823 -0.013 0.000 0.662 974 V HN 0.607 nan 8.190 nan 0.000 0.455 975 Q N -0.335 119.438 119.800 -0.045 0.000 2.119 975 Q HA -0.252 4.088 4.340 -0.001 0.000 0.201 975 Q C 2.323 178.280 176.000 -0.072 0.000 0.972 975 Q CA 1.475 57.250 55.803 -0.047 0.000 0.847 975 Q CB -0.199 28.530 28.738 -0.014 0.000 0.903 975 Q HN 0.417 nan 8.270 nan 0.000 0.433 976 K N 0.434 120.799 120.400 -0.059 0.000 2.148 976 K HA -0.088 4.231 4.320 -0.001 0.000 0.204 976 K C 1.879 178.407 176.600 -0.119 0.000 1.050 976 K CA 0.995 57.229 56.287 -0.089 0.000 0.942 976 K CB -0.286 32.175 32.500 -0.066 0.000 0.724 976 K HN 0.182 nan 8.250 nan 0.000 0.446 977 C N -0.068 119.176 119.300 -0.093 0.000 2.446 977 C HA 0.006 4.466 4.460 -0.001 0.000 0.277 977 C C 2.305 177.215 174.990 -0.133 0.000 1.275 977 C CA 0.480 59.445 59.018 -0.089 0.000 1.727 977 C CB -0.697 27.015 27.740 -0.045 0.000 2.010 977 C HN 0.464 nan 8.230 nan 0.000 0.486 978 I N 0.720 121.195 120.570 -0.158 0.000 2.493 978 I HA -0.180 3.990 4.170 -0.001 0.000 0.254 978 I C 2.393 178.303 176.117 -0.346 0.000 1.160 978 I CA 1.471 62.660 61.300 -0.185 0.000 1.445 978 I CB -0.467 37.453 38.000 -0.133 0.000 1.086 978 I HN 0.489 nan 8.210 nan 0.000 0.433 979 E N 0.010 119.960 120.200 -0.417 0.000 2.060 979 E HA -0.112 4.238 4.350 -0.001 0.000 0.189 979 E C 2.119 178.495 176.600 -0.373 0.000 0.974 979 E CA 1.526 57.553 56.400 -0.622 0.000 0.808 979 E CB 0.078 29.541 29.700 -0.395 0.000 0.768 979 E HN 0.567 nan 8.360 nan 0.000 0.453 980 C N -0.093 119.063 119.300 -0.241 0.000 2.689 980 C HA 0.274 4.733 4.460 -0.001 0.000 0.336 980 C C 1.062 175.975 174.990 -0.129 0.000 1.304 980 C CA -0.753 58.159 59.018 -0.178 0.000 1.860 980 C CB 0.003 27.641 27.740 -0.169 0.000 2.405 980 C HN -0.016 nan 8.230 nan 0.000 0.557 981 V N 3.164 123.011 119.914 -0.111 0.000 2.614 981 V HA 0.104 4.224 4.120 -0.001 0.000 0.291 981 V C 0.217 176.276 176.094 -0.058 0.000 1.049 981 V CA 0.101 62.362 62.300 -0.066 0.000 1.038 981 V CB 0.466 32.268 31.823 -0.035 0.000 0.980 981 V HN 0.546 nan 8.190 nan 0.000 0.481 982 Q N 6.978 126.756 119.800 -0.036 0.000 2.310 982 Q HA -0.025 4.315 4.340 -0.001 0.000 0.315 982 Q C -1.299 174.687 176.000 -0.022 0.000 1.081 982 Q CA -0.711 55.077 55.803 -0.025 0.000 0.981 982 Q CB 0.152 28.883 28.738 -0.012 0.000 1.184 982 Q HN 0.519 nan 8.270 nan 0.000 0.389 983 P HA -0.273 nan 4.420 nan 0.000 0.215 983 P C 0.943 178.232 177.300 -0.020 0.000 1.153 983 P CA 1.436 64.517 63.100 -0.033 0.000 0.853 983 P CB 0.103 31.787 31.700 -0.027 0.000 0.788 984 Q N 1.209 121.006 119.800 -0.004 0.000 2.173 984 Q HA -0.154 4.185 4.340 -0.001 0.000 0.208 984 Q C 1.915 177.939 176.000 0.040 0.000 0.989 984 Q CA 2.291 58.101 55.803 0.011 0.000 0.872 984 Q CB -2.141 26.603 28.738 0.011 0.000 0.909 984 Q HN 0.412 nan 8.270 nan 0.000 0.420 985 S N -0.639 115.094 115.700 0.055 0.000 2.701 985 S HA 0.150 4.619 4.470 -0.001 0.000 0.220 985 S C 1.213 175.949 174.600 0.227 0.000 0.954 985 S CA -0.090 58.181 58.200 0.118 0.000 0.936 985 S CB 0.041 63.294 63.200 0.088 0.000 0.777 985 S HN 0.144 nan 8.310 nan 0.000 0.518 986 L N 0.872 122.144 121.223 0.081 0.000 2.808 986 L HA 0.401 4.740 4.340 -0.001 0.000 0.246 986 L C 2.127 178.859 176.870 -0.230 0.000 1.153 986 L CA 0.324 55.099 54.840 -0.109 0.000 0.956 986 L CB -0.137 41.822 42.059 -0.167 0.000 1.270 986 L HN 0.154 nan 8.230 nan 0.000 0.528 987 Q N -0.058 119.732 119.800 -0.016 0.000 2.077 987 Q HA -0.235 4.105 4.340 -0.001 0.000 0.206 987 Q C 2.225 178.203 176.000 -0.038 0.000 0.989 987 Q CA 2.208 57.998 55.803 -0.021 0.000 0.853 987 Q CB -0.459 28.312 28.738 0.055 0.000 0.907 987 Q HN 0.673 nan 8.270 nan 0.000 0.418 988 F N -0.854 119.088 119.950 -0.013 0.000 2.236 988 F HA -0.155 4.372 4.527 -0.001 0.000 0.302 988 F C 1.874 177.684 175.800 0.016 0.000 1.073 988 F CA 0.809 58.810 58.000 0.001 0.000 1.336 988 F CB -0.709 38.293 39.000 0.002 0.000 1.040 988 F HN -0.041 nan 8.300 nan 0.000 0.507 989 I N 0.269 120.333 120.570 -0.843 0.000 2.500 989 I HA -0.187 3.982 4.170 -0.001 0.000 0.252 989 I C 2.340 178.283 176.117 -0.291 0.000 1.142 989 I CA 0.511 61.456 61.300 -0.591 0.000 1.451 989 I CB -0.425 37.131 38.000 -0.741 0.000 1.093 989 I HN 0.170 nan 8.210 nan 0.000 0.430 990 I N 0.868 121.272 120.570 -0.277 0.000 2.353 990 I HA -0.210 3.959 4.170 -0.001 0.000 0.248 990 I C 2.009 178.122 176.117 -0.008 0.000 1.119 990 I CA 1.524 62.717 61.300 -0.178 0.000 1.417 990 I CB -1.090 36.822 38.000 -0.146 0.000 1.078 990 I HN 0.207 nan 8.210 nan 0.000 0.421 991 D N 1.323 121.729 120.400 0.010 0.000 2.117 991 D HA -0.101 4.538 4.640 -0.001 0.000 0.197 991 D C 2.291 178.648 176.300 0.094 0.000 0.987 991 D CA 1.505 55.540 54.000 0.058 0.000 0.829 991 D CB -0.073 40.770 40.800 0.072 0.000 0.961 991 D HN 0.259 nan 8.370 nan 0.000 0.460 992 A N 0.098 122.995 122.820 0.128 0.000 1.972 992 A HA -0.156 4.163 4.320 -0.001 0.000 0.219 992 A C 1.751 179.423 177.584 0.146 0.000 1.169 992 A CA 0.879 52.998 52.037 0.136 0.000 0.635 992 A CB -0.873 18.225 19.000 0.163 0.000 0.810 992 A HN 0.158 nan 8.150 nan 0.000 0.446 993 F N 0.011 119.923 119.950 -0.063 0.000 2.699 993 F HA 0.132 4.658 4.527 -0.001 0.000 0.298 993 F C 1.036 176.812 175.800 -0.040 0.000 1.154 993 F CA 0.290 58.253 58.000 -0.062 0.000 1.457 993 F CB -0.428 38.527 39.000 -0.075 0.000 1.106 993 F HN -0.010 nan 8.300 nan 0.000 0.585 994 K N 0.569 121.043 120.400 0.122 0.000 2.453 994 K HA 0.262 4.582 4.320 -0.001 0.000 0.280 994 K C 1.218 177.838 176.600 0.032 0.000 1.045 994 K CA 0.884 57.213 56.287 0.070 0.000 1.059 994 K CB -0.210 32.321 32.500 0.052 0.000 0.901 994 K HN 0.336 nan 8.250 nan 0.000 0.475 995 G N 3.508 112.330 108.800 0.037 0.000 2.175 995 G HA2 -0.273 3.686 3.960 -0.001 0.000 0.265 995 G HA3 -0.273 3.686 3.960 -0.001 0.000 0.265 995 G C 0.449 175.336 174.900 -0.020 0.000 0.979 995 G CA 0.658 45.771 45.100 0.021 0.000 0.663 995 G HN 0.620 nan 8.290 nan 0.000 0.533 996 Q N -0.696 119.068 119.800 -0.060 0.000 2.246 996 Q HA 0.318 4.657 4.340 -0.001 0.000 0.222 996 Q C 2.590 178.485 176.000 -0.176 0.000 0.851 996 Q CA 0.665 56.372 55.803 -0.159 0.000 0.945 996 Q CB 0.126 28.684 28.738 -0.300 0.000 1.122 996 Q HN 0.471 nan 8.270 nan 0.000 0.508 997 V N 1.067 120.943 119.914 -0.064 0.000 2.250 997 V HA -0.297 3.822 4.120 -0.001 0.000 0.250 997 V C 2.000 178.055 176.094 -0.066 0.000 1.060 997 V CA 2.338 64.630 62.300 -0.013 0.000 1.030 997 V CB -0.821 31.041 31.823 0.064 0.000 0.643 997 V HN 0.285 nan 8.190 nan 0.000 0.445 998 F N 1.006 120.797 119.950 -0.265 0.000 2.134 998 F HA -0.109 4.417 4.527 -0.001 0.000 0.299 998 F C 2.334 178.014 175.800 -0.200 0.000 1.097 998 F CA 1.520 59.329 58.000 -0.318 0.000 1.264 998 F CB -0.354 38.232 39.000 -0.689 0.000 1.001 998 F HN 0.074 nan 8.300 nan 0.000 0.479 999 A N 0.590 123.237 122.820 -0.287 0.000 1.902 999 A HA -0.148 4.171 4.320 -0.001 0.000 0.217 999 A C 2.192 179.582 177.584 -0.324 0.000 1.181 999 A CA 1.880 53.727 52.037 -0.317 0.000 0.623 999 A CB -1.105 17.780 19.000 -0.191 0.000 0.818 999 A HN 0.513 nan 8.150 nan 0.000 0.443 1000 L N -0.897 120.144 121.223 -0.304 0.000 2.131 1000 L HA -0.054 4.285 4.340 -0.001 0.000 0.206 1000 L C 2.563 179.334 176.870 -0.165 0.000 1.087 1000 L CA 1.092 55.769 54.840 -0.273 0.000 0.767 1000 L CB -0.269 41.562 42.059 -0.380 0.000 0.917 1000 L HN 0.255 nan 8.230 nan 0.000 0.441 1001 S N -0.880 114.719 115.700 -0.169 0.000 2.507 1001 S HA -0.100 4.370 4.470 -0.001 0.000 0.235 1001 S C 1.519 176.042 174.600 -0.129 0.000 0.988 1001 S CA 1.480 59.617 58.200 -0.106 0.000 0.944 1001 S CB -0.292 62.870 63.200 -0.063 0.000 0.762 1001 S HN 0.604 nan 8.310 nan 0.000 0.526 1002 T N -0.900 113.507 114.554 -0.246 0.000 3.248 1002 T HA 0.225 4.574 4.350 -0.001 0.000 0.271 1002 T C -0.208 174.440 174.700 -0.087 0.000 1.005 1002 T CA -0.531 61.453 62.100 -0.194 0.000 0.902 1002 T CB -0.096 68.504 68.868 -0.447 0.000 1.102 1002 T HN 0.314 nan 8.240 nan 0.000 0.548 1003 H N 1.672 120.587 119.070 -0.257 0.000 2.538 1003 H HA 0.333 4.889 4.556 -0.001 0.000 0.353 1003 H C -2.102 172.815 175.328 -0.686 0.000 1.109 1003 H CA -2.121 53.695 56.048 -0.386 0.000 1.192 1003 H CB 3.069 32.639 29.762 -0.320 0.000 1.555 1003 H HN -0.115 nan 8.280 nan 0.000 0.518 1004 P HA -0.206 nan 4.420 nan 0.000 0.216 1004 P C 0.833 177.747 177.300 -0.642 0.000 1.154 1004 P CA 1.599 63.802 63.100 -1.496 0.000 0.865 1004 P CB 0.126 31.002 31.700 -1.374 0.000 0.789 1005 Y N -0.542 119.604 120.300 -0.256 0.000 2.301 1005 Y HA 0.147 4.697 4.550 -0.001 0.000 0.295 1005 Y C 3.034 178.905 175.900 -0.047 0.000 1.119 1005 Y CA 0.264 58.303 58.100 -0.100 0.000 1.162 1005 Y CB -1.067 37.381 38.460 -0.020 0.000 1.046 1005 Y HN -0.039 nan 8.280 nan 0.000 0.538 1006 G N 0.369 109.285 108.800 0.193 0.000 2.432 1006 G HA2 -0.305 3.655 3.960 -0.001 0.000 0.219 1006 G HA3 -0.305 3.655 3.960 -0.001 0.000 0.219 1006 G C 1.657 176.571 174.900 0.024 0.000 1.135 1006 G CA 1.209 46.332 45.100 0.038 0.000 0.767 1006 G HN 0.623 nan 8.290 nan 0.000 0.550 1007 C N 0.214 119.497 119.300 -0.028 0.000 2.422 1007 C HA 0.132 4.591 4.460 -0.001 0.000 0.279 1007 C C 2.737 177.723 174.990 -0.006 0.000 1.305 1007 C CA 0.507 59.518 59.018 -0.013 0.000 1.757 1007 C CB -0.883 26.855 27.740 -0.003 0.000 1.962 1007 C HN 0.277 nan 8.230 nan 0.000 0.499 1008 R N 1.568 122.058 120.500 -0.017 0.000 2.061 1008 R HA 0.011 4.350 4.340 -0.001 0.000 0.230 1008 R C 2.444 178.735 176.300 -0.014 0.000 1.140 1008 R CA 1.455 57.545 56.100 -0.017 0.000 0.940 1008 R CB -1.409 28.876 30.300 -0.025 0.000 0.839 1008 R HN 0.550 nan 8.270 nan 0.000 0.429 1009 V N 2.024 121.944 119.914 0.010 0.000 2.380 1009 V HA -0.228 3.892 4.120 -0.001 0.000 0.251 1009 V C 2.464 178.545 176.094 -0.022 0.000 1.063 1009 V CA 1.642 63.950 62.300 0.012 0.000 1.055 1009 V CB -0.499 31.383 31.823 0.098 0.000 0.657 1009 V HN 0.236 nan 8.190 nan 0.000 0.455 1010 I N -0.466 120.124 120.570 0.034 0.000 2.394 1010 I HA -0.268 3.901 4.170 -0.001 0.000 0.251 1010 I C 2.613 178.643 176.117 -0.144 0.000 1.136 1010 I CA 1.456 62.747 61.300 -0.014 0.000 1.425 1010 I CB -0.329 37.713 38.000 0.069 0.000 1.079 1010 I HN 0.414 nan 8.210 nan 0.000 0.425 1011 Q N -0.017 119.679 119.800 -0.173 0.000 2.172 1011 Q HA -0.105 4.235 4.340 -0.001 0.000 0.200 1011 Q C 2.286 178.121 176.000 -0.275 0.000 0.964 1011 Q CA 0.735 56.307 55.803 -0.385 0.000 0.855 1011 Q CB 0.020 28.600 28.738 -0.263 0.000 0.918 1011 Q HN 0.310 nan 8.270 nan 0.000 0.444 1012 R N 0.631 121.062 120.500 -0.115 0.000 2.096 1012 R HA -0.054 4.285 4.340 -0.001 0.000 0.235 1012 R C 2.070 178.353 176.300 -0.029 0.000 1.127 1012 R CA 1.032 57.128 56.100 -0.006 0.000 0.968 1012 R CB -0.542 29.777 30.300 0.032 0.000 0.861 1012 R HN 0.360 nan 8.270 nan 0.000 0.440 1013 I N 0.792 121.285 120.570 -0.128 0.000 2.142 1013 I HA -0.279 3.891 4.170 -0.001 0.000 0.240 1013 I C 2.194 178.230 176.117 -0.135 0.000 1.078 1013 I CA 1.200 62.404 61.300 -0.160 0.000 1.343 1013 I CB -0.412 37.429 38.000 -0.264 0.000 1.046 1013 I HN 0.047 nan 8.210 nan 0.000 0.405 1014 L N 0.306 121.428 121.223 -0.168 0.000 2.189 1014 L HA -0.232 4.107 4.340 -0.001 0.000 0.214 1014 L C 2.354 179.177 176.870 -0.078 0.000 1.097 1014 L CA 1.422 56.190 54.840 -0.120 0.000 0.764 1014 L CB -0.648 41.308 42.059 -0.171 0.000 0.900 1014 L HN 0.341 nan 8.230 nan 0.000 0.436 1015 E N -1.224 118.887 120.200 -0.147 0.000 2.042 1015 E HA -0.102 4.248 4.350 -0.001 0.000 0.189 1015 E C 2.071 178.448 176.600 -0.371 0.000 0.974 1015 E CA 0.740 56.981 56.400 -0.266 0.000 0.806 1015 E CB 0.112 29.562 29.700 -0.417 0.000 0.769 1015 E HN 0.566 nan 8.360 nan 0.000 0.451 1016 H N -0.787 118.241 119.070 -0.070 0.000 2.516 1016 H HA 0.159 4.715 4.556 -0.001 0.000 0.284 1016 H C 1.053 176.337 175.328 -0.073 0.000 0.999 1016 H CA 0.026 56.032 56.048 -0.070 0.000 1.303 1016 H CB -0.086 29.628 29.762 -0.080 0.000 1.452 1016 H HN 0.138 nan 8.280 nan 0.000 0.530 1017 C N 2.103 121.411 119.300 0.014 0.000 2.705 1017 C HA 0.145 4.604 4.460 -0.001 0.000 0.365 1017 C C 1.246 176.218 174.990 -0.029 0.000 1.353 1017 C CA -0.490 58.509 59.018 -0.033 0.000 2.339 1017 C CB 0.182 27.870 27.740 -0.087 0.000 2.576 1017 C HN 0.221 nan 8.230 nan 0.000 0.716 1018 L N 2.181 123.385 121.223 -0.032 0.000 2.439 1018 L HA 0.231 4.570 4.340 -0.001 0.000 0.261 1018 L C -1.360 175.498 176.870 -0.020 0.000 1.153 1018 L CA -1.267 53.561 54.840 -0.021 0.000 0.808 1018 L CB 0.166 42.215 42.059 -0.017 0.000 1.126 1018 L HN 0.430 nan 8.230 nan 0.000 0.460 1019 P HA -0.209 nan 4.420 nan 0.000 0.215 1019 P C 0.797 178.095 177.300 -0.004 0.000 1.163 1019 P CA 1.465 64.564 63.100 -0.003 0.000 0.894 1019 P CB 0.010 31.711 31.700 0.002 0.000 0.791 1020 D N -0.441 119.956 120.400 -0.005 0.000 2.182 1020 D HA -0.210 4.429 4.640 -0.001 0.000 0.201 1020 D C 1.772 178.065 176.300 -0.011 0.000 0.986 1020 D CA 1.227 55.224 54.000 -0.004 0.000 0.847 1020 D CB -0.845 39.953 40.800 -0.003 0.000 0.942 1020 D HN 0.374 nan 8.370 nan 0.000 0.467 1021 Q N 0.068 119.854 119.800 -0.024 0.000 2.163 1021 Q HA -0.041 4.298 4.340 -0.001 0.000 0.198 1021 Q C 2.359 178.329 176.000 -0.049 0.000 0.954 1021 Q CA 1.576 57.353 55.803 -0.044 0.000 0.851 1021 Q CB -0.034 28.663 28.738 -0.069 0.000 0.928 1021 Q HN 0.500 nan 8.270 nan 0.000 0.459 1022 T N -0.736 113.795 114.554 -0.038 0.000 3.014 1022 T HA -0.038 4.311 4.350 -0.001 0.000 0.263 1022 T C 1.821 176.517 174.700 -0.005 0.000 1.078 1022 T CA 0.260 62.340 62.100 -0.034 0.000 1.135 1022 T CB -0.148 68.702 68.868 -0.030 0.000 0.895 1022 T HN 0.092 nan 8.240 nan 0.000 0.480 1023 L N 3.388 124.616 121.223 0.007 0.000 2.021 1023 L HA 0.014 4.353 4.340 -0.001 0.000 0.215 1023 L C -0.582 176.309 176.870 0.036 0.000 1.074 1023 L CA 2.149 57.006 54.840 0.028 0.000 0.760 1023 L CB -1.369 40.705 42.059 0.024 0.000 0.889 1023 L HN 0.184 nan 8.230 nan 0.000 0.433 1024 P HA -0.119 nan 4.420 nan 0.000 0.225 1024 P C 1.996 179.321 177.300 0.042 0.000 1.156 1024 P CA 1.171 64.292 63.100 0.036 0.000 0.787 1024 P CB -0.051 31.666 31.700 0.028 0.000 0.802 1025 I N -0.210 120.374 120.570 0.023 0.000 2.233 1025 I HA -0.140 4.030 4.170 -0.001 0.000 0.243 1025 I C 2.603 178.729 176.117 0.015 0.000 1.093 1025 I CA 1.096 62.410 61.300 0.024 0.000 1.380 1025 I CB -1.421 36.569 38.000 -0.017 0.000 1.067 1025 I HN -0.066 nan 8.210 nan 0.000 0.413 1026 L N 0.512 121.734 121.223 -0.000 0.000 2.131 1026 L HA -0.213 4.126 4.340 -0.001 0.000 0.210 1026 L C 2.535 179.401 176.870 -0.007 0.000 1.092 1026 L CA 1.181 55.990 54.840 -0.052 0.000 0.759 1026 L CB -0.520 41.547 42.059 0.014 0.000 0.903 1026 L HN 0.217 nan 8.230 nan 0.000 0.435 1027 E N 0.780 121.042 120.200 0.104 0.000 2.106 1027 E HA -0.223 4.127 4.350 -0.001 0.000 0.192 1027 E C 1.904 178.583 176.600 0.131 0.000 0.984 1027 E CA 1.428 57.923 56.400 0.160 0.000 0.806 1027 E CB -0.023 29.744 29.700 0.112 0.000 0.750 1027 E HN 0.474 nan 8.360 nan 0.000 0.458 1028 E N -0.226 120.040 120.200 0.110 0.000 2.274 1028 E HA -0.060 4.290 4.350 -0.001 0.000 0.194 1028 E C 2.020 178.747 176.600 0.212 0.000 0.996 1028 E CA 0.504 57.006 56.400 0.171 0.000 0.840 1028 E CB 0.010 29.791 29.700 0.136 0.000 0.772 1028 E HN 0.327 nan 8.360 nan 0.000 0.491 1029 L N 0.353 121.614 121.223 0.064 0.000 2.209 1029 L HA -0.085 4.254 4.340 -0.001 0.000 0.207 1029 L C 2.253 179.112 176.870 -0.018 0.000 1.094 1029 L CA 0.667 55.511 54.840 0.006 0.000 0.790 1029 L CB -0.210 41.765 42.059 -0.140 0.000 0.932 1029 L HN 0.213 nan 8.230 nan 0.000 0.447 1030 H N -0.216 118.907 119.070 0.087 0.000 2.462 1030 H HA -0.082 4.474 4.556 -0.001 0.000 0.292 1030 H C 2.057 177.383 175.328 -0.003 0.000 1.049 1030 H CA 0.976 57.049 56.048 0.041 0.000 1.334 1030 H CB 0.132 29.908 29.762 0.023 0.000 1.404 1030 H HN 0.449 nan 8.280 nan 0.000 0.544 1031 Q N -0.177 119.671 119.800 0.081 0.000 2.230 1031 Q HA -0.071 4.268 4.340 -0.001 0.000 0.202 1031 Q C 0.766 176.537 176.000 -0.383 0.000 0.963 1031 Q CA 0.831 56.542 55.803 -0.154 0.000 0.866 1031 Q CB 0.270 28.873 28.738 -0.225 0.000 0.931 1031 Q HN 0.652 nan 8.270 nan 0.000 0.452 1032 H N -1.462 117.589 119.070 -0.032 0.000 2.528 1032 H HA 0.124 4.680 4.556 -0.001 0.000 0.282 1032 H C 1.570 176.899 175.328 0.001 0.000 1.097 1032 H CA 0.292 56.283 56.048 -0.095 0.000 1.121 1032 H CB 0.624 30.293 29.762 -0.155 0.000 1.590 1032 H HN 0.146 nan 8.280 nan 0.000 0.553 1033 T N 0.818 115.430 114.554 0.096 0.000 2.699 1033 T HA -0.239 4.111 4.350 -0.001 0.000 0.268 1033 T C 1.899 176.633 174.700 0.056 0.000 1.036 1033 T CA 2.026 64.178 62.100 0.087 0.000 1.147 1033 T CB 0.131 69.058 68.868 0.098 0.000 0.862 1033 T HN 0.539 nan 8.240 nan 0.000 0.446 1034 E N -0.266 119.947 120.200 0.023 0.000 2.097 1034 E HA -0.259 4.091 4.350 -0.001 0.000 0.196 1034 E C 2.207 178.816 176.600 0.015 0.000 1.000 1034 E CA 1.734 58.136 56.400 0.003 0.000 0.804 1034 E CB -0.083 29.604 29.700 -0.022 0.000 0.740 1034 E HN 0.632 nan 8.360 nan 0.000 0.454 1035 Q N -0.047 119.782 119.800 0.049 0.000 2.269 1035 Q HA 0.059 4.399 4.340 -0.001 0.000 0.201 1035 Q C 2.175 178.283 176.000 0.181 0.000 0.946 1035 Q CA 0.657 56.531 55.803 0.117 0.000 0.877 1035 Q CB 0.044 28.860 28.738 0.129 0.000 0.963 1035 Q HN 0.312 nan 8.270 nan 0.000 0.472 1036 L N 0.403 121.745 121.223 0.200 0.000 2.156 1036 L HA -0.087 4.253 4.340 -0.001 0.000 0.208 1036 L C 2.121 178.998 176.870 0.011 0.000 1.095 1036 L CA 0.813 55.734 54.840 0.135 0.000 0.770 1036 L CB -0.561 41.589 42.059 0.151 0.000 0.914 1036 L HN 0.239 nan 8.230 nan 0.000 0.439 1037 V N -3.174 116.732 119.914 -0.012 0.000 3.141 1037 V HA -0.168 3.951 4.120 -0.001 0.000 0.265 1037 V C 1.672 177.666 176.094 -0.167 0.000 1.126 1037 V CA 1.183 63.440 62.300 -0.073 0.000 1.141 1037 V CB -0.520 31.266 31.823 -0.062 0.000 0.743 1037 V HN 0.533 nan 8.190 nan 0.000 0.492 1038 Q N 0.356 120.053 119.800 -0.173 0.000 2.282 1038 Q HA 0.228 4.567 4.340 -0.001 0.000 0.206 1038 Q C 0.078 176.011 176.000 -0.112 0.000 0.878 1038 Q CA 0.117 55.731 55.803 -0.316 0.000 0.944 1038 Q CB 0.543 29.141 28.738 -0.232 0.000 1.100 1038 Q HN 0.770 nan 8.270 nan 0.000 0.509 1039 D N 0.859 121.162 120.400 -0.162 0.000 2.256 1039 D HA -0.033 4.606 4.640 -0.001 0.000 0.250 1039 D C 1.247 177.104 176.300 -0.738 0.000 1.093 1039 D CA -0.128 53.686 54.000 -0.310 0.000 0.882 1039 D CB 1.025 41.724 40.800 -0.169 0.000 1.185 1039 D HN 0.055 nan 8.370 nan 0.000 0.437 1040 Q N 2.324 121.321 119.800 -1.338 0.000 2.248 1040 Q HA -0.253 4.087 4.340 -0.001 0.000 0.208 1040 Q C 0.439 175.860 176.000 -0.964 0.000 0.984 1040 Q CA 1.585 56.154 55.803 -2.056 0.000 0.875 1040 Q CB -0.201 27.553 28.738 -1.639 0.000 0.910 1040 Q HN 0.733 nan 8.270 nan 0.000 0.433 1041 Y N -0.515 119.606 120.300 -0.298 0.000 2.589 1041 Y HA 0.337 4.886 4.550 -0.001 0.000 0.271 1041 Y C 2.593 178.495 175.900 0.004 0.000 1.107 1041 Y CA -0.169 57.910 58.100 -0.036 0.000 1.273 1041 Y CB 0.118 38.511 38.460 -0.110 0.000 1.266 1041 Y HN 0.192 nan 8.280 nan 0.000 0.504 1042 G N 1.537 110.356 108.800 0.032 0.000 2.442 1042 G HA2 -0.372 3.587 3.960 -0.001 0.000 0.219 1042 G HA3 -0.372 3.587 3.960 -0.001 0.000 0.219 1042 G C 1.240 176.151 174.900 0.019 0.000 1.141 1042 G CA 1.482 46.594 45.100 0.020 0.000 0.763 1042 G HN 0.617 nan 8.290 nan 0.000 0.554 1043 N N -0.737 117.923 118.700 -0.067 0.000 2.258 1043 N HA -0.202 4.537 4.740 -0.001 0.000 0.187 1043 N C 1.796 177.237 175.510 -0.115 0.000 1.012 1043 N CA 1.463 54.445 53.050 -0.113 0.000 0.870 1043 N CB -0.613 37.768 38.487 -0.175 0.000 0.977 1043 N HN 0.484 nan 8.380 nan 0.000 0.434 1044 Y N -0.119 120.202 120.300 0.035 0.000 2.314 1044 Y HA 0.032 4.582 4.550 -0.001 0.000 0.293 1044 Y C 2.274 178.230 175.900 0.094 0.000 1.129 1044 Y CA 0.620 58.764 58.100 0.073 0.000 1.201 1044 Y CB 0.132 38.647 38.460 0.092 0.000 0.999 1044 Y HN 0.001 nan 8.280 nan 0.000 0.541 1045 V N -0.354 119.680 119.914 0.200 0.000 2.358 1045 V HA -0.272 3.848 4.120 -0.001 0.000 0.246 1045 V C 2.076 178.242 176.094 0.120 0.000 1.047 1045 V CA 1.196 63.574 62.300 0.130 0.000 1.035 1045 V CB -0.452 31.411 31.823 0.066 0.000 0.658 1045 V HN 0.328 nan 8.190 nan 0.000 0.452 1046 I N 0.054 120.672 120.570 0.079 0.000 2.202 1046 I HA -0.226 3.943 4.170 -0.001 0.000 0.242 1046 I C 2.581 178.736 176.117 0.063 0.000 1.091 1046 I CA 1.525 62.858 61.300 0.056 0.000 1.368 1046 I CB -1.418 36.598 38.000 0.027 0.000 1.058 1046 I HN 0.412 nan 8.210 nan 0.000 0.410 1047 Q N -0.586 119.245 119.800 0.052 0.000 2.135 1047 Q HA -0.249 4.090 4.340 -0.001 0.000 0.204 1047 Q C 2.316 178.337 176.000 0.034 0.000 0.981 1047 Q CA 1.427 57.247 55.803 0.028 0.000 0.856 1047 Q CB -0.363 28.378 28.738 0.005 0.000 0.902 1047 Q HN 0.547 nan 8.270 nan 0.000 0.425 1048 H N 0.432 119.528 119.070 0.043 0.000 2.290 1048 H HA -0.126 4.429 4.556 -0.001 0.000 0.298 1048 H C 1.957 177.306 175.328 0.035 0.000 1.087 1048 H CA 1.806 57.906 56.048 0.087 0.000 1.291 1048 H CB -0.025 29.820 29.762 0.138 0.000 1.369 1048 H HN 0.083 nan 8.280 nan 0.000 0.492 1049 V N 1.410 121.473 119.914 0.249 0.000 2.490 1049 V HA -0.242 3.878 4.120 -0.001 0.000 0.250 1049 V C 3.062 179.169 176.094 0.021 0.000 1.061 1049 V CA 1.496 63.890 62.300 0.157 0.000 1.064 1049 V CB -0.644 31.241 31.823 0.104 0.000 0.670 1049 V HN 0.297 nan 8.190 nan 0.000 0.461 1050 L N -0.541 120.668 121.223 -0.023 0.000 2.275 1050 L HA -0.118 4.221 4.340 -0.001 0.000 0.215 1050 L C 2.478 179.199 176.870 -0.247 0.000 1.119 1050 L CA 1.357 56.162 54.840 -0.059 0.000 0.790 1050 L CB -0.322 41.735 42.059 -0.002 0.000 0.919 1050 L HN 0.423 nan 8.230 nan 0.000 0.443 1051 E N -1.514 118.405 120.200 -0.469 0.000 2.201 1051 E HA -0.024 4.325 4.350 -0.001 0.000 0.193 1051 E C 1.439 177.556 176.600 -0.805 0.000 0.957 1051 E CA 0.504 56.367 56.400 -0.894 0.000 0.858 1051 E CB 0.318 29.333 29.700 -1.141 0.000 0.816 1051 E HN 0.590 nan 8.360 nan 0.000 0.475 1052 H N -0.717 118.192 119.070 -0.268 0.000 3.058 1052 H HA 0.232 4.788 4.556 -0.001 0.000 0.258 1052 H C 1.034 176.321 175.328 -0.068 0.000 1.015 1052 H CA 0.368 56.305 56.048 -0.186 0.000 1.210 1052 H CB 0.529 30.130 29.762 -0.270 0.000 1.481 1052 H HN -0.005 nan 8.280 nan 0.000 0.492 1053 G N 1.285 110.122 108.800 0.062 0.000 2.621 1053 G HA2 0.276 4.235 3.960 -0.001 0.000 0.271 1053 G HA3 0.276 4.235 3.960 -0.001 0.000 0.271 1053 G C 0.165 175.093 174.900 0.047 0.000 1.236 1053 G CA -0.642 44.503 45.100 0.075 0.000 0.958 1053 G HN 0.124 nan 8.290 nan 0.000 0.512 1054 R N 0.244 120.776 120.500 0.054 0.000 2.694 1054 R HA 0.112 4.451 4.340 -0.001 0.000 0.268 1054 R C -1.505 174.820 176.300 0.042 0.000 1.061 1054 R CA -0.975 55.150 56.100 0.042 0.000 1.133 1054 R CB 0.554 30.880 30.300 0.043 0.000 1.020 1054 R HN 0.252 nan 8.270 nan 0.000 0.475 1055 P HA -0.203 nan 4.420 nan 0.000 0.220 1055 P C 0.763 178.079 177.300 0.026 0.000 1.148 1055 P CA 1.113 64.230 63.100 0.028 0.000 0.803 1055 P CB 0.156 31.868 31.700 0.020 0.000 0.782 1056 E N -0.135 120.080 120.200 0.024 0.000 2.106 1056 E HA -0.201 4.149 4.350 -0.001 0.000 0.192 1056 E C 1.232 177.839 176.600 0.012 0.000 0.984 1056 E CA 1.152 57.557 56.400 0.010 0.000 0.806 1056 E CB -0.265 29.440 29.700 0.008 0.000 0.750 1056 E HN 0.188 nan 8.360 nan 0.000 0.458 1057 D N 0.735 121.178 120.400 0.072 0.000 2.103 1057 D HA -0.126 4.514 4.640 -0.001 0.000 0.199 1057 D C 1.871 178.270 176.300 0.166 0.000 0.978 1057 D CA 0.912 55.017 54.000 0.174 0.000 0.829 1057 D CB -0.117 40.828 40.800 0.241 0.000 0.981 1057 D HN 0.198 nan 8.370 nan 0.000 0.464 1058 K N 0.810 121.272 120.400 0.103 0.000 2.113 1058 K HA -0.094 4.225 4.320 -0.001 0.000 0.208 1058 K C 2.343 178.977 176.600 0.058 0.000 1.047 1058 K CA 0.977 57.312 56.287 0.080 0.000 0.928 1058 K CB -0.124 32.409 32.500 0.054 0.000 0.716 1058 K HN -0.057 nan 8.250 nan 0.000 0.446 1059 S N 1.006 116.723 115.700 0.029 0.000 2.356 1059 S HA -0.101 4.368 4.470 -0.001 0.000 0.223 1059 S C 1.774 176.367 174.600 -0.012 0.000 1.032 1059 S CA 1.044 59.246 58.200 0.004 0.000 1.005 1059 S CB -0.047 63.146 63.200 -0.012 0.000 0.867 1059 S HN 0.224 nan 8.310 nan 0.000 0.449 1060 K N 0.987 121.353 120.400 -0.057 0.000 2.044 1060 K HA -0.106 4.214 4.320 -0.001 0.000 0.210 1060 K C 2.013 178.620 176.600 0.012 0.000 1.049 1060 K CA 1.281 57.502 56.287 -0.109 0.000 0.927 1060 K CB -0.702 31.538 32.500 -0.435 0.000 0.713 1060 K HN 0.394 nan 8.250 nan 0.000 0.443 1061 I N 0.428 121.053 120.570 0.092 0.000 2.163 1061 I HA -0.264 3.905 4.170 -0.001 0.000 0.243 1061 I C 2.472 178.621 176.117 0.054 0.000 1.085 1061 I CA 0.987 62.349 61.300 0.104 0.000 1.347 1061 I CB -0.336 37.736 38.000 0.119 0.000 1.044 1061 I HN -0.035 nan 8.210 nan 0.000 0.408 1062 V N 0.795 120.733 119.914 0.040 0.000 2.626 1062 V HA -0.203 3.917 4.120 -0.001 0.000 0.252 1062 V C 2.482 178.586 176.094 0.017 0.000 1.067 1062 V CA 1.914 64.230 62.300 0.027 0.000 1.081 1062 V CB -0.260 31.577 31.823 0.023 0.000 0.686 1062 V HN 0.428 nan 8.190 nan 0.000 0.468 1063 A N -0.782 122.044 122.820 0.010 0.000 2.015 1063 A HA -0.106 4.214 4.320 -0.001 0.000 0.219 1063 A C 2.107 179.693 177.584 0.004 0.000 1.163 1063 A CA 1.445 53.483 52.037 0.001 0.000 0.646 1063 A CB -0.357 18.635 19.000 -0.012 0.000 0.806 1063 A HN 0.610 nan 8.150 nan 0.000 0.448 1064 E N -0.429 119.779 120.200 0.013 0.000 2.112 1064 E HA -0.070 4.280 4.350 -0.001 0.000 0.190 1064 E C 1.701 178.307 176.600 0.011 0.000 0.979 1064 E CA 0.804 57.212 56.400 0.013 0.000 0.814 1064 E CB -0.225 29.491 29.700 0.026 0.000 0.762 1064 E HN 0.598 nan 8.360 nan 0.000 0.460 1065 I N 0.654 121.233 120.570 0.014 0.000 2.406 1065 I HA -0.096 4.073 4.170 -0.001 0.000 0.249 1065 I C 1.465 177.589 176.117 0.012 0.000 1.122 1065 I CA 0.322 61.629 61.300 0.012 0.000 1.431 1065 I CB -0.163 37.845 38.000 0.013 0.000 1.087 1065 I HN -0.136 nan 8.210 nan 0.000 0.424 1066 R N 1.337 121.844 120.500 0.012 0.000 2.486 1066 R HA 0.061 4.400 4.340 -0.001 0.000 0.303 1066 R C 1.062 177.368 176.300 0.010 0.000 0.958 1066 R CA 1.233 57.339 56.100 0.011 0.000 1.077 1066 R CB -0.359 29.946 30.300 0.008 0.000 0.921 1066 R HN 0.571 nan 8.270 nan 0.000 0.406 1067 G N 3.778 112.586 108.800 0.013 0.000 2.217 1067 G HA2 -0.242 3.717 3.960 -0.001 0.000 0.246 1067 G HA3 -0.242 3.717 3.960 -0.001 0.000 0.246 1067 G C 0.290 175.201 174.900 0.017 0.000 0.990 1067 G CA 0.230 45.338 45.100 0.014 0.000 0.627 1067 G HN 0.690 nan 8.290 nan 0.000 0.522 1068 N N 0.087 118.798 118.700 0.018 0.000 2.241 1068 N HA 0.225 4.965 4.740 -0.001 0.000 0.238 1068 N C 1.707 177.233 175.510 0.027 0.000 1.244 1068 N CA 0.590 53.653 53.050 0.023 0.000 0.880 1068 N CB 1.038 39.536 38.487 0.018 0.000 1.179 1068 N HN 0.240 nan 8.380 nan 0.000 0.513 1069 V N 0.749 120.680 119.914 0.027 0.000 2.407 1069 V HA -0.199 3.921 4.120 -0.001 0.000 0.248 1069 V C 2.320 178.438 176.094 0.040 0.000 1.055 1069 V CA 1.237 63.555 62.300 0.030 0.000 1.049 1069 V CB -0.291 31.549 31.823 0.028 0.000 0.662 1069 V HN 0.237 nan 8.190 nan 0.000 0.455 1070 L N 1.130 122.379 121.223 0.043 0.000 2.005 1070 L HA -0.088 4.251 4.340 -0.001 0.000 0.207 1070 L C 2.560 179.467 176.870 0.062 0.000 1.072 1070 L CA 2.531 57.403 54.840 0.053 0.000 0.744 1070 L CB -0.737 41.353 42.059 0.053 0.000 0.895 1070 L HN 0.291 nan 8.230 nan 0.000 0.433 1071 V N -2.026 117.924 119.914 0.060 0.000 2.261 1071 V HA -0.251 3.868 4.120 -0.001 0.000 0.246 1071 V C 2.456 178.603 176.094 0.089 0.000 1.047 1071 V CA 1.977 64.321 62.300 0.073 0.000 1.015 1071 V CB -1.295 30.568 31.823 0.066 0.000 0.642 1071 V HN 0.458 nan 8.190 nan 0.000 0.446 1072 L N 0.526 121.790 121.223 0.069 0.000 2.187 1072 L HA -0.122 4.217 4.340 -0.001 0.000 0.213 1072 L C 2.812 179.726 176.870 0.073 0.000 1.100 1072 L CA 1.781 56.658 54.840 0.062 0.000 0.765 1072 L CB -0.718 41.349 42.059 0.012 0.000 0.904 1072 L HN 0.416 nan 8.230 nan 0.000 0.437 1073 S N -0.805 114.938 115.700 0.072 0.000 2.481 1073 S HA -0.121 4.348 4.470 -0.001 0.000 0.231 1073 S C 1.811 176.481 174.600 0.117 0.000 0.996 1073 S CA 0.913 59.160 58.200 0.079 0.000 0.942 1073 S CB 0.041 63.284 63.200 0.072 0.000 0.768 1073 S HN 0.485 nan 8.310 nan 0.000 0.520 1074 Q N -0.445 119.431 119.800 0.127 0.000 2.408 1074 Q HA 0.094 4.434 4.340 -0.001 0.000 0.205 1074 Q C 0.235 176.335 176.000 0.168 0.000 0.919 1074 Q CA 0.071 55.972 55.803 0.164 0.000 0.932 1074 Q CB 0.216 29.026 28.738 0.120 0.000 1.058 1074 Q HN 0.449 nan 8.270 nan 0.000 0.517 1075 H N 1.489 120.550 119.070 -0.014 0.000 2.767 1075 H HA 0.035 4.590 4.556 -0.001 0.000 0.316 1075 H C 0.827 175.881 175.328 -0.457 0.000 1.059 1075 H CA 0.652 56.621 56.048 -0.131 0.000 1.461 1075 H CB 1.047 30.770 29.762 -0.064 0.000 1.475 1075 H HN 0.037 nan 8.280 nan 0.000 0.531 1076 K N 3.563 123.475 120.400 -0.813 0.000 2.059 1076 K HA -0.179 4.140 4.320 -0.001 0.000 0.212 1076 K C 1.134 177.225 176.600 -0.849 0.000 1.050 1076 K CA 1.816 57.221 56.287 -1.469 0.000 0.927 1076 K CB 0.022 31.754 32.500 -1.281 0.000 0.714 1076 K HN 0.498 nan 8.250 nan 0.000 0.447 1077 F N -0.142 119.816 119.950 0.014 0.000 2.188 1077 F HA 0.107 4.633 4.527 -0.001 0.000 0.289 1077 F C 2.496 178.186 175.800 -0.182 0.000 1.082 1077 F CA 0.455 58.392 58.000 -0.106 0.000 1.282 1077 F CB -0.417 38.547 39.000 -0.060 0.000 1.060 1077 F HN 0.060 nan 8.300 nan 0.000 0.493 1078 A N 0.377 123.164 122.820 -0.056 0.000 2.024 1078 A HA -0.230 4.090 4.320 -0.001 0.000 0.220 1078 A C 2.261 179.800 177.584 -0.075 0.000 1.164 1078 A CA 1.977 53.921 52.037 -0.155 0.000 0.643 1078 A CB -1.233 17.585 19.000 -0.303 0.000 0.806 1078 A HN 0.447 nan 8.150 nan 0.000 0.451 1079 S N 0.548 116.211 115.700 -0.062 0.000 2.419 1079 S HA -0.247 4.222 4.470 -0.001 0.000 0.235 1079 S C 1.480 176.046 174.600 -0.056 0.000 1.019 1079 S CA 1.659 59.834 58.200 -0.043 0.000 0.982 1079 S CB -0.858 62.315 63.200 -0.044 0.000 0.789 1079 S HN 0.717 nan 8.310 nan 0.000 0.490 1080 N N 1.220 119.860 118.700 -0.100 0.000 2.216 1080 N HA 0.022 4.761 4.740 -0.001 0.000 0.183 1080 N C 1.604 177.076 175.510 -0.063 0.000 1.017 1080 N CA 1.185 54.176 53.050 -0.099 0.000 0.861 1080 N CB -0.380 38.009 38.487 -0.164 0.000 0.986 1080 N HN 0.254 nan 8.380 nan 0.000 0.428 1081 V N 0.494 120.368 119.914 -0.066 0.000 2.295 1081 V HA -0.161 3.958 4.120 -0.001 0.000 0.246 1081 V C 2.211 178.301 176.094 -0.008 0.000 1.049 1081 V CA 1.404 63.682 62.300 -0.036 0.000 1.024 1081 V CB -0.630 31.169 31.823 -0.041 0.000 0.648 1081 V HN 0.266 nan 8.190 nan 0.000 0.447 1082 V N -0.047 119.861 119.914 -0.010 0.000 2.720 1082 V HA -0.240 3.879 4.120 -0.001 0.000 0.256 1082 V C 2.264 178.365 176.094 0.012 0.000 1.082 1082 V CA 2.568 64.872 62.300 0.006 0.000 1.101 1082 V CB -0.186 31.644 31.823 0.012 0.000 0.693 1082 V HN 0.740 nan 8.190 nan 0.000 0.479 1083 E N -0.533 119.672 120.200 0.009 0.000 2.158 1083 E HA -0.183 4.167 4.350 -0.001 0.000 0.191 1083 E C 2.068 178.674 176.600 0.010 0.000 0.982 1083 E CA 0.716 57.124 56.400 0.014 0.000 0.823 1083 E CB 0.053 29.762 29.700 0.016 0.000 0.766 1083 E HN 0.469 nan 8.360 nan 0.000 0.468 1084 K N -0.127 120.292 120.400 0.031 0.000 2.228 1084 K HA 0.005 4.324 4.320 -0.001 0.000 0.202 1084 K C 1.848 178.501 176.600 0.087 0.000 1.051 1084 K CA 0.691 57.038 56.287 0.099 0.000 0.960 1084 K CB -0.333 32.241 32.500 0.124 0.000 0.743 1084 K HN 0.190 nan 8.250 nan 0.000 0.458 1085 C N -0.487 118.841 119.300 0.047 0.000 2.473 1085 C HA -0.060 4.399 4.460 -0.001 0.000 0.279 1085 C C 2.361 177.356 174.990 0.009 0.000 1.250 1085 C CA 0.509 59.551 59.018 0.039 0.000 1.713 1085 C CB -0.718 27.038 27.740 0.028 0.000 2.066 1085 C HN 0.192 nan 8.230 nan 0.000 0.474 1086 V N 0.915 120.826 119.914 -0.004 0.000 2.636 1086 V HA -0.244 3.875 4.120 -0.001 0.000 0.258 1086 V C 2.161 178.217 176.094 -0.064 0.000 1.092 1086 V CA 2.551 64.838 62.300 -0.021 0.000 1.110 1086 V CB -0.952 30.865 31.823 -0.011 0.000 0.685 1086 V HN 0.712 nan 8.190 nan 0.000 0.481 1087 T N -2.791 111.689 114.554 -0.124 0.000 2.971 1087 T HA 0.140 4.490 4.350 -0.001 0.000 0.252 1087 T C 1.148 175.573 174.700 -0.459 0.000 1.022 1087 T CA 0.147 62.069 62.100 -0.297 0.000 0.980 1087 T CB 0.086 68.704 68.868 -0.416 0.000 1.044 1087 T HN 0.522 nan 8.240 nan 0.000 0.501 1088 H N -0.017 119.040 119.070 -0.021 0.000 2.916 1088 H HA 0.637 5.192 4.556 -0.001 0.000 0.262 1088 H C 0.817 176.133 175.328 -0.019 0.000 1.178 1088 H CA -0.371 55.659 56.048 -0.030 0.000 1.090 1088 H CB 0.408 30.137 29.762 -0.055 0.000 1.657 1088 H HN 0.313 nan 8.280 nan 0.000 0.601 1089 A N 1.153 124.009 122.820 0.060 0.000 2.621 1089 A HA 0.498 4.817 4.320 -0.001 0.000 0.267 1089 A C 0.928 178.528 177.584 0.028 0.000 1.506 1089 A CA -0.015 52.048 52.037 0.043 0.000 0.873 1089 A CB 0.236 19.253 19.000 0.028 0.000 1.577 1089 A HN 0.291 nan 8.150 nan 0.000 0.536 1090 S N -1.333 114.379 115.700 0.020 0.000 2.661 1090 S HA 0.274 4.743 4.470 -0.001 0.000 0.265 1090 S C 0.882 175.487 174.600 0.008 0.000 1.225 1090 S CA -0.090 58.118 58.200 0.014 0.000 0.986 1090 S CB 0.463 63.670 63.200 0.012 0.000 1.008 1090 S HN 0.573 nan 8.310 nan 0.000 0.565 1091 R N -0.299 120.205 120.500 0.006 0.000 2.148 1091 R HA -0.025 4.314 4.340 -0.001 0.000 0.227 1091 R C 2.126 178.428 176.300 0.004 0.000 1.103 1091 R CA 1.674 57.776 56.100 0.003 0.000 0.983 1091 R CB -0.853 29.450 30.300 0.004 0.000 0.874 1091 R HN 0.774 nan 8.270 nan 0.000 0.451 1092 T N 0.499 115.056 114.554 0.005 0.000 2.770 1092 T HA -0.062 4.288 4.350 -0.001 0.000 0.258 1092 T C 1.505 176.209 174.700 0.005 0.000 1.039 1092 T CA 0.946 63.049 62.100 0.005 0.000 1.143 1092 T CB -0.084 68.786 68.868 0.004 0.000 0.866 1092 T HN 0.298 nan 8.240 nan 0.000 0.428 1093 E N 1.021 121.225 120.200 0.007 0.000 2.085 1093 E HA -0.151 4.199 4.350 -0.001 0.000 0.194 1093 E C 2.349 178.953 176.600 0.007 0.000 0.994 1093 E CA 0.890 57.294 56.400 0.008 0.000 0.801 1093 E CB -0.136 29.571 29.700 0.011 0.000 0.743 1093 E HN 0.313 nan 8.360 nan 0.000 0.453 1094 R N 0.515 121.018 120.500 0.005 0.000 2.120 1094 R HA -0.091 4.249 4.340 -0.001 0.000 0.234 1094 R C 1.986 178.288 176.300 0.003 0.000 1.123 1094 R CA 1.316 57.416 56.100 0.000 0.000 0.975 1094 R CB -0.072 30.223 30.300 -0.007 0.000 0.866 1094 R HN 0.157 nan 8.270 nan 0.000 0.446 1095 A N -0.322 122.500 122.820 0.004 0.000 2.132 1095 A HA 0.080 4.399 4.320 -0.001 0.000 0.213 1095 A C 1.883 179.472 177.584 0.008 0.000 1.154 1095 A CA 0.461 52.501 52.037 0.007 0.000 0.753 1095 A CB 0.293 19.297 19.000 0.007 0.000 0.826 1095 A HN 0.203 nan 8.150 nan 0.000 0.469 1096 V N -0.106 119.813 119.914 0.008 0.000 2.951 1096 V HA -0.051 4.069 4.120 -0.001 0.000 0.255 1096 V C 2.209 178.309 176.094 0.010 0.000 1.088 1096 V CA 1.096 63.401 62.300 0.008 0.000 1.109 1096 V CB -0.390 31.437 31.823 0.007 0.000 0.724 1096 V HN 0.546 nan 8.190 nan 0.000 0.471 1097 L N -0.821 120.409 121.223 0.011 0.000 2.202 1097 L HA 0.089 4.428 4.340 -0.001 0.000 0.205 1097 L C 2.156 179.035 176.870 0.015 0.000 1.083 1097 L CA 1.201 56.049 54.840 0.013 0.000 0.790 1097 L CB -0.252 41.815 42.059 0.013 0.000 0.942 1097 L HN 0.229 nan 8.230 nan 0.000 0.452 1098 I N -0.005 120.573 120.570 0.013 0.000 2.830 1098 I HA -0.205 3.964 4.170 -0.001 0.000 0.263 1098 I C 1.712 177.839 176.117 0.017 0.000 1.230 1098 I CA 1.002 62.311 61.300 0.015 0.000 1.480 1098 I CB -0.114 37.892 38.000 0.011 0.000 1.095 1098 I HN 0.248 nan 8.210 nan 0.000 0.455 1099 D N 0.668 121.078 120.400 0.016 0.000 2.301 1099 D HA -0.163 4.476 4.640 -0.001 0.000 0.206 1099 D C 2.083 178.395 176.300 0.019 0.000 0.979 1099 D CA 0.530 54.540 54.000 0.017 0.000 0.874 1099 D CB 0.226 41.033 40.800 0.013 0.000 0.968 1099 D HN 0.203 nan 8.370 nan 0.000 0.510 1100 E N -0.078 120.133 120.200 0.019 0.000 2.118 1100 E HA -0.157 4.193 4.350 -0.001 0.000 0.195 1100 E C 1.728 178.344 176.600 0.027 0.000 0.992 1100 E CA 1.355 57.768 56.400 0.021 0.000 0.804 1100 E CB 0.127 29.839 29.700 0.020 0.000 0.741 1100 E HN 0.297 nan 8.360 nan 0.000 0.458 1101 V N -1.851 118.080 119.914 0.029 0.000 3.646 1101 V HA 0.058 4.177 4.120 -0.001 0.000 0.277 1101 V C 1.318 177.437 176.094 0.041 0.000 1.274 1101 V CA 0.289 62.611 62.300 0.036 0.000 1.164 1101 V CB -0.279 31.565 31.823 0.035 0.000 0.926 1101 V HN 0.316 nan 8.190 nan 0.000 0.442 1102 C N -0.202 119.121 119.300 0.038 0.000 3.065 1102 C HA 0.270 4.729 4.460 -0.001 0.000 0.285 1102 C C 2.290 177.305 174.990 0.041 0.000 1.257 1102 C CA 0.850 59.894 59.018 0.043 0.000 1.691 1102 C CB -0.333 27.427 27.740 0.035 0.000 2.089 1102 C HN 0.663 nan 8.230 nan 0.000 0.630 1103 T N -0.342 114.232 114.554 0.034 0.000 2.987 1103 T HA 0.168 4.518 4.350 -0.001 0.000 0.248 1103 T C 0.629 175.347 174.700 0.031 0.000 0.997 1103 T CA 0.012 62.129 62.100 0.028 0.000 1.013 1103 T CB 0.059 68.939 68.868 0.019 0.000 1.077 1103 T HN 0.391 nan 8.240 nan 0.000 0.483 1104 M N 2.107 121.727 119.600 0.033 0.000 2.207 1104 M HA 0.225 4.704 4.480 -0.001 0.000 0.311 1104 M C -1.039 175.286 176.300 0.043 0.000 1.127 1104 M CA 0.496 55.816 55.300 0.034 0.000 1.181 1104 M CB 0.369 32.990 32.600 0.035 0.000 1.409 1104 M HN 0.076 nan 8.290 nan 0.000 0.461 1105 N N 0.341 119.065 118.700 0.040 0.000 2.416 1105 N HA 0.269 5.009 4.740 -0.001 0.000 0.276 1105 N C -1.659 173.880 175.510 0.049 0.000 1.261 1105 N CA -0.760 52.317 53.050 0.045 0.000 0.790 1105 N CB 1.227 39.730 38.487 0.026 0.000 1.554 1105 N HN 0.545 nan 8.380 nan 0.000 0.481 1106 D N 0.510 120.948 120.400 0.064 0.000 2.895 1106 D HA 0.240 4.879 4.640 -0.001 0.000 0.258 1106 D C 0.979 177.305 176.300 0.045 0.000 1.311 1106 D CA 0.279 54.322 54.000 0.071 0.000 0.843 1106 D CB -0.356 40.514 40.800 0.117 0.000 1.055 1106 D HN 0.773 nan 8.370 nan 0.000 0.486 1107 G N 1.901 110.707 108.800 0.011 0.000 2.889 1107 G HA2 -0.370 3.589 3.960 -0.001 0.000 0.308 1107 G HA3 -0.370 3.589 3.960 -0.001 0.000 0.308 1107 G C -0.825 174.021 174.900 -0.090 0.000 1.248 1107 G CA 0.311 45.396 45.100 -0.025 0.000 0.982 1107 G HN 0.386 nan 8.290 nan 0.000 0.571 1108 P HA -0.017 nan 4.420 nan 0.000 0.217 1108 P C 0.742 177.611 177.300 -0.718 0.000 1.158 1108 P CA 1.977 64.845 63.100 -0.387 0.000 0.887 1108 P CB -0.194 31.343 31.700 -0.270 0.000 0.792 1109 H N -3.061 115.930 119.070 -0.131 0.000 2.894 1109 H HA 0.348 4.903 4.556 -0.001 0.000 0.368 1109 H C 0.299 175.592 175.328 -0.059 0.000 1.181 1109 H CA -0.911 55.008 56.048 -0.215 0.000 1.146 1109 H CB 1.332 30.679 29.762 -0.691 0.000 1.839 1109 H HN -0.059 nan 8.280 nan 0.000 0.557 1110 S N 0.083 115.846 115.700 0.106 0.000 2.576 1110 S HA 0.144 4.613 4.470 -0.001 0.000 0.272 1110 S C 1.419 176.101 174.600 0.136 0.000 1.352 1110 S CA -0.138 58.131 58.200 0.114 0.000 1.021 1110 S CB 1.009 64.296 63.200 0.144 0.000 0.887 1110 S HN 0.773 nan 8.310 nan 0.000 0.542 1111 A N 1.333 124.213 122.820 0.100 0.000 1.902 1111 A HA -0.035 4.285 4.320 -0.001 0.000 0.217 1111 A C 2.062 179.690 177.584 0.074 0.000 1.181 1111 A CA 1.393 53.483 52.037 0.089 0.000 0.623 1111 A CB -0.978 18.061 19.000 0.066 0.000 0.818 1111 A HN 0.799 nan 8.150 nan 0.000 0.443 1112 L N -1.533 119.727 121.223 0.062 0.000 2.079 1112 L HA -0.162 4.177 4.340 -0.001 0.000 0.210 1112 L C 2.297 179.133 176.870 -0.057 0.000 1.081 1112 L CA 2.151 57.005 54.840 0.023 0.000 0.752 1112 L CB -0.933 41.160 42.059 0.057 0.000 0.896 1112 L HN 0.617 nan 8.230 nan 0.000 0.433 1113 Y N -0.323 119.819 120.300 -0.265 0.000 2.114 1113 Y HA -0.272 4.278 4.550 -0.001 0.000 0.284 1113 Y C 2.426 178.201 175.900 -0.208 0.000 1.143 1113 Y CA 2.386 60.212 58.100 -0.456 0.000 1.135 1113 Y CB -0.621 37.558 38.460 -0.468 0.000 0.980 1113 Y HN 0.141 nan 8.280 nan 0.000 0.499 1114 T N 1.118 115.723 114.554 0.085 0.000 2.759 1114 T HA -0.238 4.112 4.350 -0.001 0.000 0.269 1114 T C 1.837 176.516 174.700 -0.034 0.000 1.042 1114 T CA 2.075 64.198 62.100 0.039 0.000 1.140 1114 T CB -0.331 68.626 68.868 0.147 0.000 0.864 1114 T HN 0.391 nan 8.240 nan 0.000 0.455 1115 M N 0.080 119.669 119.600 -0.017 0.000 2.254 1115 M HA 0.120 4.600 4.480 -0.001 0.000 0.265 1115 M C 2.246 178.529 176.300 -0.028 0.000 1.066 1115 M CA 1.307 56.606 55.300 -0.002 0.000 1.123 1115 M CB -0.346 32.265 32.600 0.019 0.000 1.388 1115 M HN 0.210 nan 8.290 nan 0.000 0.425 1116 M N 0.010 119.556 119.600 -0.091 0.000 2.394 1116 M HA -0.124 4.356 4.480 -0.001 0.000 0.264 1116 M C 1.777 178.046 176.300 -0.052 0.000 1.073 1116 M CA 1.161 56.408 55.300 -0.088 0.000 1.111 1116 M CB -0.205 32.305 32.600 -0.150 0.000 1.401 1116 M HN 0.194 nan 8.290 nan 0.000 0.448 1117 K N -0.210 120.133 120.400 -0.094 0.000 2.372 1117 K HA 0.123 4.442 4.320 -0.001 0.000 0.200 1117 K C -0.486 176.227 176.600 0.189 0.000 1.022 1117 K CA -0.016 56.310 56.287 0.064 0.000 1.125 1117 K CB 0.198 32.673 32.500 -0.043 0.000 0.855 1117 K HN 0.066 nan 8.250 nan 0.000 0.524 1118 D N 1.821 122.273 120.400 0.087 0.000 2.177 1118 D HA -0.020 4.619 4.640 -0.001 0.000 0.247 1118 D C 1.201 177.395 176.300 -0.176 0.000 1.063 1118 D CA -0.545 53.463 54.000 0.014 0.000 0.867 1118 D CB 1.516 42.324 40.800 0.014 0.000 1.168 1118 D HN 0.233 nan 8.370 nan 0.000 0.445 1119 Q N 2.161 121.683 119.800 -0.463 0.000 2.368 1119 Q HA -0.217 4.123 4.340 -0.001 0.000 0.210 1119 Q C 0.419 176.075 176.000 -0.573 0.000 0.982 1119 Q CA 1.457 56.706 55.803 -0.924 0.000 0.884 1119 Q CB -0.144 28.016 28.738 -0.963 0.000 0.933 1119 Q HN 0.713 nan 8.270 nan 0.000 0.460 1120 Y N -0.314 119.938 120.300 -0.080 0.000 2.609 1120 Y HA 0.377 4.926 4.550 -0.001 0.000 0.281 1120 Y C 2.612 178.575 175.900 0.103 0.000 1.132 1120 Y CA -0.036 58.071 58.100 0.011 0.000 1.264 1120 Y CB 0.115 38.535 38.460 -0.067 0.000 1.325 1120 Y HN 0.155 nan 8.280 nan 0.000 0.514 1121 A N 1.485 124.421 122.820 0.194 0.000 2.019 1121 A HA -0.252 4.067 4.320 -0.001 0.000 0.219 1121 A C 1.713 179.356 177.584 0.098 0.000 1.164 1121 A CA 1.997 54.113 52.037 0.131 0.000 0.644 1121 A CB -1.155 17.896 19.000 0.086 0.000 0.805 1121 A HN 0.742 nan 8.150 nan 0.000 0.449 1122 N N -1.652 117.082 118.700 0.057 0.000 2.289 1122 N HA -0.218 4.521 4.740 -0.001 0.000 0.184 1122 N C 1.326 176.795 175.510 -0.069 0.000 1.016 1122 N CA 1.888 54.923 53.050 -0.025 0.000 0.872 1122 N CB -0.679 37.763 38.487 -0.075 0.000 0.973 1122 N HN 0.526 nan 8.380 nan 0.000 0.433 1123 Y N 0.330 120.626 120.300 -0.007 0.000 2.220 1123 Y HA 0.019 4.569 4.550 -0.001 0.000 0.291 1123 Y C 2.483 178.384 175.900 0.003 0.000 1.129 1123 Y CA 0.803 58.898 58.100 -0.008 0.000 1.161 1123 Y CB -0.407 38.045 38.460 -0.014 0.000 0.997 1123 Y HN -0.044 nan 8.280 nan 0.000 0.522 1124 V N -0.812 119.205 119.914 0.173 0.000 2.255 1124 V HA -0.309 3.811 4.120 -0.001 0.000 0.247 1124 V C 2.254 178.382 176.094 0.057 0.000 1.051 1124 V CA 1.794 64.151 62.300 0.095 0.000 1.018 1124 V CB -1.107 30.764 31.823 0.079 0.000 0.641 1124 V HN 0.234 nan 8.190 nan 0.000 0.445 1125 V N -0.361 119.579 119.914 0.043 0.000 2.252 1125 V HA -0.379 3.741 4.120 -0.001 0.000 0.249 1125 V C 2.537 178.636 176.094 0.008 0.000 1.056 1125 V CA 2.421 64.732 62.300 0.018 0.000 1.022 1125 V CB -0.857 30.969 31.823 0.005 0.000 0.641 1125 V HN 0.594 nan 8.190 nan 0.000 0.445 1126 Q N -0.380 119.420 119.800 0.000 0.000 2.077 1126 Q HA -0.334 4.005 4.340 -0.001 0.000 0.206 1126 Q C 2.356 178.363 176.000 0.011 0.000 0.989 1126 Q CA 2.195 57.995 55.803 -0.004 0.000 0.853 1126 Q CB -0.306 28.416 28.738 -0.028 0.000 0.907 1126 Q HN 0.476 nan 8.270 nan 0.000 0.418 1127 K N 0.721 121.138 120.400 0.028 0.000 2.057 1127 K HA -0.110 4.209 4.320 -0.001 0.000 0.207 1127 K C 1.938 178.542 176.600 0.006 0.000 1.049 1127 K CA 1.431 57.730 56.287 0.021 0.000 0.931 1127 K CB -0.065 32.453 32.500 0.030 0.000 0.714 1127 K HN 0.161 nan 8.250 nan 0.000 0.440 1128 M N -0.257 119.348 119.600 0.009 0.000 2.117 1128 M HA -0.145 4.335 4.480 -0.001 0.000 0.262 1128 M C 2.045 178.346 176.300 0.000 0.000 1.065 1128 M CA 1.591 56.893 55.300 0.004 0.000 1.114 1128 M CB -0.416 32.190 32.600 0.008 0.000 1.361 1128 M HN 0.100 nan 8.290 nan 0.000 0.408 1129 I N 0.939 121.507 120.570 -0.003 0.000 2.394 1129 I HA -0.215 3.954 4.170 -0.001 0.000 0.251 1129 I C 2.587 178.706 176.117 0.004 0.000 1.136 1129 I CA 1.646 62.941 61.300 -0.008 0.000 1.425 1129 I CB -1.099 36.886 38.000 -0.024 0.000 1.079 1129 I HN 0.438 nan 8.210 nan 0.000 0.425 1130 D N 0.360 120.763 120.400 0.004 0.000 2.194 1130 D HA -0.039 4.600 4.640 -0.001 0.000 0.204 1130 D C 2.099 178.399 176.300 0.000 0.000 0.964 1130 D CA 1.428 55.432 54.000 0.006 0.000 0.846 1130 D CB -0.345 40.458 40.800 0.005 0.000 0.962 1130 D HN 0.297 nan 8.370 nan 0.000 0.490 1131 V N -3.364 116.546 119.914 -0.007 0.000 3.471 1131 V HA 0.637 4.756 4.120 -0.001 0.000 0.258 1131 V C 1.622 177.713 176.094 -0.004 0.000 1.192 1131 V CA 0.430 62.722 62.300 -0.014 0.000 1.116 1131 V CB -0.436 31.368 31.823 -0.031 0.000 0.792 1131 V HN 0.564 nan 8.190 nan 0.000 0.459 1132 A N 1.140 123.962 122.820 0.004 0.000 2.511 1132 A HA 0.267 4.587 4.320 -0.001 0.000 0.242 1132 A C 0.305 177.901 177.584 0.019 0.000 1.069 1132 A CA 0.028 52.073 52.037 0.012 0.000 0.763 1132 A CB -0.308 18.702 19.000 0.016 0.000 1.001 1132 A HN 0.696 nan 8.150 nan 0.000 0.498 1133 E N 3.127 123.337 120.200 0.017 0.000 2.313 1133 E HA 0.194 4.544 4.350 -0.001 0.000 0.276 1133 E C -1.511 175.106 176.600 0.028 0.000 1.031 1133 E CA -1.667 54.744 56.400 0.017 0.000 0.857 1133 E CB 0.594 30.301 29.700 0.011 0.000 1.040 1133 E HN 0.459 nan 8.360 nan 0.000 0.408 1134 P HA -0.373 nan 4.420 nan 0.000 0.234 1134 P C 1.193 178.524 177.300 0.052 0.000 1.067 1134 P CA 2.121 65.239 63.100 0.031 0.000 1.034 1134 P CB -0.119 31.584 31.700 0.005 0.000 0.739 1135 G N -0.910 107.912 108.800 0.036 0.000 2.777 1135 G HA2 -0.364 3.595 3.960 -0.001 0.000 0.217 1135 G HA3 -0.364 3.595 3.960 -0.001 0.000 0.217 1135 G C 1.571 176.502 174.900 0.051 0.000 1.295 1135 G CA 1.507 46.630 45.100 0.038 0.000 0.800 1135 G HN 0.353 nan 8.290 nan 0.000 0.637 1136 Q N -0.599 119.225 119.800 0.041 0.000 2.124 1136 Q HA -0.071 4.269 4.340 -0.001 0.000 0.202 1136 Q C 2.766 178.797 176.000 0.052 0.000 0.977 1136 Q CA 0.767 56.594 55.803 0.039 0.000 0.850 1136 Q CB -0.155 28.599 28.738 0.027 0.000 0.901 1136 Q HN 0.394 nan 8.270 nan 0.000 0.429 1137 R N 0.711 121.249 120.500 0.065 0.000 2.224 1137 R HA -0.290 4.050 4.340 -0.001 0.000 0.251 1137 R C 2.123 178.452 176.300 0.048 0.000 1.123 1137 R CA 2.253 58.396 56.100 0.072 0.000 0.944 1137 R CB -0.229 30.178 30.300 0.178 0.000 0.910 1137 R HN 0.209 nan 8.270 nan 0.000 0.440 1138 K N 0.022 120.517 120.400 0.159 0.000 2.015 1138 K HA -0.222 4.097 4.320 -0.001 0.000 0.220 1138 K C 2.197 178.868 176.600 0.118 0.000 1.055 1138 K CA 2.326 58.720 56.287 0.178 0.000 0.951 1138 K CB -0.461 32.167 32.500 0.213 0.000 0.725 1138 K HN 0.238 nan 8.250 nan 0.000 0.449 1139 I N 0.843 121.467 120.570 0.090 0.000 2.145 1139 I HA -0.365 3.805 4.170 -0.001 0.000 0.244 1139 I C 2.381 178.551 176.117 0.089 0.000 1.075 1139 I CA 1.399 62.740 61.300 0.069 0.000 1.332 1139 I CB -0.600 37.415 38.000 0.024 0.000 1.033 1139 I HN 0.009 nan 8.210 nan 0.000 0.410 1140 V N 0.486 120.425 119.914 0.041 0.000 2.233 1140 V HA -0.323 3.796 4.120 -0.001 0.000 0.247 1140 V C 2.556 178.657 176.094 0.012 0.000 1.050 1140 V CA 1.890 64.204 62.300 0.023 0.000 1.010 1140 V CB -0.573 31.244 31.823 -0.009 0.000 0.637 1140 V HN 0.382 nan 8.190 nan 0.000 0.444 1141 M N -0.598 118.951 119.600 -0.086 0.000 2.195 1141 M HA -0.220 4.260 4.480 -0.001 0.000 0.260 1141 M C 2.202 178.529 176.300 0.045 0.000 1.066 1141 M CA 1.794 57.000 55.300 -0.156 0.000 1.089 1141 M CB -1.635 30.608 32.600 -0.594 0.000 1.377 1141 M HN 0.506 nan 8.290 nan 0.000 0.411 1142 H N 0.023 119.110 119.070 0.028 0.000 2.423 1142 H HA -0.091 4.465 4.556 -0.000 0.000 0.297 1142 H C 1.778 177.136 175.328 0.050 0.000 1.075 1142 H CA 1.485 57.575 56.048 0.070 0.000 1.342 1142 H CB 0.283 30.084 29.762 0.064 0.000 1.395 1142 H HN 0.151 nan 8.280 nan 0.000 0.530 1143 K N 0.091 120.617 120.400 0.209 0.000 2.361 1143 K HA 0.133 4.453 4.320 -0.001 0.000 0.196 1143 K C 2.167 178.884 176.600 0.196 0.000 1.039 1143 K CA 0.157 56.556 56.287 0.186 0.000 1.001 1143 K CB 0.152 32.746 32.500 0.157 0.000 0.795 1143 K HN 0.267 nan 8.250 nan 0.000 0.495 1144 I N -0.586 120.070 120.570 0.143 0.000 2.429 1144 I HA -0.096 4.074 4.170 -0.001 0.000 0.247 1144 I C 2.237 178.422 176.117 0.114 0.000 1.099 1144 I CA 0.369 61.769 61.300 0.167 0.000 1.422 1144 I CB -0.173 37.866 38.000 0.065 0.000 1.112 1144 I HN 0.105 nan 8.210 nan 0.000 0.430 1145 R N 1.415 121.937 120.500 0.037 0.000 2.208 1145 R HA -0.228 4.112 4.340 -0.001 0.000 0.262 1145 R C -0.692 175.548 176.300 -0.101 0.000 1.166 1145 R CA 2.246 58.330 56.100 -0.027 0.000 0.987 1145 R CB -1.261 28.995 30.300 -0.073 0.000 0.887 1145 R HN 0.243 nan 8.270 nan 0.000 0.459 1146 P HA -0.081 nan 4.420 nan 0.000 0.220 1146 P C -0.245 176.840 177.300 -0.359 0.000 1.148 1146 P CA 1.360 64.275 63.100 -0.308 0.000 0.803 1146 P CB 0.073 31.518 31.700 -0.426 0.000 0.782 1147 H N -2.051 117.013 119.070 -0.010 0.000 2.524 1147 H HA 0.248 4.803 4.556 -0.001 0.000 0.299 1147 H C 1.527 176.805 175.328 -0.083 0.000 1.074 1147 H CA -0.220 55.813 56.048 -0.025 0.000 1.115 1147 H CB -0.761 29.006 29.762 0.008 0.000 1.522 1147 H HN 0.095 nan 8.280 nan 0.000 0.543 1148 I N 0.472 121.032 120.570 -0.017 0.000 2.226 1148 I HA -0.273 3.896 4.170 -0.001 0.000 0.245 1148 I C 2.506 178.583 176.117 -0.066 0.000 1.100 1148 I CA 1.103 62.377 61.300 -0.042 0.000 1.374 1148 I CB -0.170 37.800 38.000 -0.050 0.000 1.057 1148 I HN 0.467 nan 8.210 nan 0.000 0.413 1149 A N 0.389 123.171 122.820 -0.063 0.000 1.908 1149 A HA -0.220 4.100 4.320 -0.001 0.000 0.218 1149 A C 2.339 179.852 177.584 -0.119 0.000 1.181 1149 A CA 2.496 54.492 52.037 -0.068 0.000 0.627 1149 A CB -1.108 17.864 19.000 -0.047 0.000 0.818 1149 A HN 0.405 nan 8.150 nan 0.000 0.445 1150 T N 0.276 114.723 114.554 -0.178 0.000 2.962 1150 T HA 0.008 4.357 4.350 -0.001 0.000 0.270 1150 T C 1.603 176.002 174.700 -0.502 0.000 1.088 1150 T CA 1.141 62.965 62.100 -0.460 0.000 1.127 1150 T CB -0.274 68.319 68.868 -0.460 0.000 0.883 1150 T HN 0.372 nan 8.240 nan 0.000 0.493 1151 L N -0.103 120.967 121.223 -0.255 0.000 2.313 1151 L HA 0.091 4.431 4.340 -0.001 0.000 0.214 1151 L C 2.698 179.482 176.870 -0.144 0.000 1.119 1151 L CA 0.878 55.601 54.840 -0.195 0.000 0.809 1151 L CB -0.209 41.768 42.059 -0.138 0.000 0.933 1151 L HN 0.138 nan 8.230 nan 0.000 0.449 1152 R N 0.623 121.056 120.500 -0.111 0.000 2.055 1152 R HA -0.054 4.286 4.340 -0.001 0.000 0.221 1152 R C 2.164 178.453 176.300 -0.018 0.000 1.154 1152 R CA 0.924 56.985 56.100 -0.066 0.000 0.975 1152 R CB -0.109 30.159 30.300 -0.052 0.000 0.869 1152 R HN 0.259 nan 8.270 nan 0.000 0.437 1153 K N -0.294 120.123 120.400 0.029 0.000 2.515 1153 K HA -0.072 4.247 4.320 -0.001 0.000 0.196 1153 K C 0.158 176.906 176.600 0.246 0.000 1.038 1153 K CA 0.993 57.350 56.287 0.117 0.000 0.967 1153 K CB 0.013 32.601 32.500 0.147 0.000 0.780 1153 K HN 0.214 nan 8.250 nan 0.000 0.483 1154 Y N 0.139 120.344 120.300 -0.158 0.000 2.612 1154 Y HA 0.128 4.678 4.550 -0.001 0.000 0.334 1154 Y C 1.620 177.348 175.900 -0.287 0.000 1.227 1154 Y CA -1.312 56.649 58.100 -0.232 0.000 1.356 1154 Y CB 1.580 39.894 38.460 -0.244 0.000 1.534 1154 Y HN -0.196 nan 8.280 nan 0.000 0.576 1155 T N -1.629 112.734 114.554 -0.319 0.000 3.018 1155 T HA 0.001 4.351 4.350 -0.001 0.000 0.246 1155 T C 0.033 174.598 174.700 -0.225 0.000 1.026 1155 T CA 0.451 62.341 62.100 -0.350 0.000 1.081 1155 T CB -0.106 68.474 68.868 -0.480 0.000 0.970 1155 T HN 0.356 nan 8.240 nan 0.000 0.475 1156 Y N 1.897 122.245 120.300 0.080 0.000 2.873 1156 Y HA 0.590 5.139 4.550 -0.001 0.000 0.375 1156 Y C 1.625 177.422 175.900 -0.172 0.000 1.070 1156 Y CA -1.557 56.665 58.100 0.203 0.000 1.644 1156 Y CB -0.817 37.729 38.460 0.143 0.000 1.495 1156 Y HN 0.209 nan 8.280 nan 0.000 0.494 1157 G N -0.312 108.270 108.800 -0.364 0.000 2.780 1157 G HA2 -0.018 3.942 3.960 -0.001 0.000 0.198 1157 G HA3 -0.018 3.942 3.960 -0.001 0.000 0.198 1157 G C 1.823 176.452 174.900 -0.452 0.000 1.067 1157 G CA 0.445 45.348 45.100 -0.328 0.000 0.765 1157 G HN 0.291 nan 8.290 nan 0.000 0.581 1158 K N 1.514 121.587 120.400 -0.545 0.000 2.173 1158 K HA -0.210 4.109 4.320 -0.001 0.000 0.207 1158 K C 2.073 178.512 176.600 -0.269 0.000 1.046 1158 K CA 2.124 58.209 56.287 -0.338 0.000 0.929 1158 K CB -1.383 30.985 32.500 -0.220 0.000 0.720 1158 K HN 0.649 nan 8.250 nan 0.000 0.453 1159 H N 0.369 119.419 119.070 -0.032 0.000 2.270 1159 H HA -0.008 4.548 4.556 -0.001 0.000 0.299 1159 H C 2.227 177.525 175.328 -0.051 0.000 1.077 1159 H CA 1.284 57.302 56.048 -0.051 0.000 1.294 1159 H CB -0.565 29.137 29.762 -0.100 0.000 1.371 1159 H HN 0.305 nan 8.280 nan 0.000 0.491 1160 I N 0.862 121.425 120.570 -0.011 0.000 2.142 1160 I HA -0.204 3.966 4.170 -0.001 0.000 0.240 1160 I C 2.695 178.786 176.117 -0.044 0.000 1.078 1160 I CA 0.710 61.994 61.300 -0.027 0.000 1.343 1160 I CB -1.069 36.907 38.000 -0.041 0.000 1.046 1160 I HN 0.131 nan 8.210 nan 0.000 0.405 1161 L N 1.544 122.721 121.223 -0.077 0.000 2.013 1161 L HA -0.203 4.136 4.340 -0.001 0.000 0.212 1161 L C 2.619 179.474 176.870 -0.025 0.000 1.073 1161 L CA 2.307 57.114 54.840 -0.055 0.000 0.753 1161 L CB -0.977 41.032 42.059 -0.083 0.000 0.890 1161 L HN 0.254 nan 8.230 nan 0.000 0.432 1162 A N -1.289 121.516 122.820 -0.025 0.000 2.032 1162 A HA -0.264 4.056 4.320 -0.001 0.000 0.221 1162 A C 2.342 179.934 177.584 0.015 0.000 1.165 1162 A CA 2.067 54.105 52.037 0.002 0.000 0.645 1162 A CB -0.493 18.514 19.000 0.011 0.000 0.807 1162 A HN 0.539 nan 8.150 nan 0.000 0.453 1163 K N -0.915 119.488 120.400 0.003 0.000 2.076 1163 K HA 0.122 4.442 4.320 -0.001 0.000 0.204 1163 K C 1.979 178.566 176.600 -0.022 0.000 1.051 1163 K CA 0.855 57.142 56.287 -0.001 0.000 0.949 1163 K CB -0.271 32.219 32.500 -0.015 0.000 0.726 1163 K HN 0.506 nan 8.250 nan 0.000 0.443 1164 L N 1.758 122.962 121.223 -0.032 0.000 1.989 1164 L HA -0.253 4.086 4.340 -0.001 0.000 0.211 1164 L C 2.032 178.968 176.870 0.109 0.000 1.071 1164 L CA 1.706 56.533 54.840 -0.022 0.000 0.749 1164 L CB -0.134 41.942 42.059 0.028 0.000 0.890 1164 L HN 0.224 nan 8.230 nan 0.000 0.431 1165 E N -0.299 119.963 120.200 0.103 0.000 2.085 1165 E HA -0.299 4.051 4.350 -0.001 0.000 0.194 1165 E C 2.103 178.789 176.600 0.143 0.000 0.994 1165 E CA 1.537 58.015 56.400 0.130 0.000 0.801 1165 E CB -0.159 29.580 29.700 0.066 0.000 0.743 1165 E HN 0.405 nan 8.360 nan 0.000 0.453 1166 K N 0.981 121.441 120.400 0.099 0.000 1.965 1166 K HA -0.228 4.092 4.320 -0.001 0.000 0.214 1166 K C 2.324 179.007 176.600 0.138 0.000 1.046 1166 K CA 1.592 57.937 56.287 0.096 0.000 0.944 1166 K CB -0.589 31.952 32.500 0.068 0.000 0.726 1166 K HN 0.178 nan 8.250 nan 0.000 0.441 1167 Y N 1.021 121.275 120.300 -0.077 0.000 2.446 1167 Y HA -0.160 4.389 4.550 -0.001 0.000 0.287 1167 Y C 0.028 175.836 175.900 -0.154 0.000 1.159 1167 Y CA 0.418 58.427 58.100 -0.152 0.000 1.297 1167 Y CB -0.699 37.617 38.460 -0.240 0.000 0.974 1167 Y HN 0.078 nan 8.280 nan 0.000 0.557 1168 Y N 0.000 120.512 120.300 0.353 0.000 2.660 1168 Y HA 0.000 4.549 4.550 -0.001 0.000 0.201 1168 Y CA 0.000 58.243 58.100 0.238 0.000 1.940 1168 Y CB 0.000 38.555 38.460 0.158 0.000 1.050 1168 Y HN 0.000 nan 8.280 nan 0.000 0.758