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 3cwz_1_B DATA FIRST_RESID 713 DATA SEQUENCE NLSPSVIAQT NWKFVEGLLK ECRNKTKRML VEKMGREAVE LGXXXXNITG DATA SEQUENCE VEENTLIASL CDLLERIWSH GLQVKQGKSA LWSHLLHYQE NRQRKLXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXAV MSPLRISLIQ DMRHIQNIGE IKTDVGKARA DATA SEQUENCE WVRLSMEKKL LSRHLKQLLS DHELTKKLYK RYAFLRCDDE KEQFLYHLLS DATA SEQUENCE FNAVDYFCFT NVFTTILIPY HILIVPSKKL GGSMFTANPW ICISGELGET DATA SEQUENCE QILQIPRNVL EMTFECQNLG KLTTVQIGHD NSGLYAKWLV ECVMVRNEVT DATA SEQUENCE GHTYKFPCGR WLGKGMDDGS LERVLVGELL TSLPEV 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 713 N HA 0.000 nan 4.740 nan 0.000 0.220 713 N C 0.000 175.515 175.510 0.008 0.000 1.280 713 N CA 0.000 53.054 53.050 0.007 0.000 0.885 713 N CB 0.000 38.492 38.487 0.008 0.000 1.341 714 L N 0.234 121.462 121.223 0.008 0.000 3.843 714 L HA -0.157 4.183 4.340 0.000 0.000 0.411 714 L C -0.187 176.689 176.870 0.009 0.000 1.205 714 L CA 1.468 56.314 54.840 0.009 0.000 0.945 714 L CB -2.628 39.437 42.059 0.010 0.000 1.929 714 L HN 0.583 nan 8.230 nan 0.000 0.934 715 S N -1.124 114.581 115.700 0.008 0.000 2.385 715 S HA 0.611 5.081 4.470 0.000 0.000 0.191 715 S C -1.236 173.366 174.600 0.003 0.000 1.196 715 S CA 0.213 58.417 58.200 0.007 0.000 1.178 715 S CB 1.696 64.900 63.200 0.007 0.000 1.258 715 S HN 0.648 nan 8.310 nan 0.000 0.430 716 P HA 0.227 nan 4.420 nan 0.000 0.214 716 P C 0.994 178.299 177.300 0.008 0.000 1.144 716 P CA 0.310 63.414 63.100 0.007 0.000 0.884 716 P CB 0.346 32.051 31.700 0.009 0.000 0.784 717 S N -1.568 114.139 115.700 0.012 0.000 2.780 717 S HA 0.152 4.622 4.470 0.000 0.000 0.248 717 S C 1.295 175.909 174.600 0.024 0.000 1.036 717 S CA -0.155 58.058 58.200 0.021 0.000 1.061 717 S CB -0.505 62.710 63.200 0.025 0.000 1.037 717 S HN -0.222 nan 8.310 nan 0.000 0.584 718 V N 2.770 122.695 119.914 0.018 0.000 2.407 718 V HA -0.057 4.063 4.120 0.000 0.000 0.245 718 V C 2.327 178.439 176.094 0.029 0.000 1.041 718 V CA 1.760 64.075 62.300 0.025 0.000 1.040 718 V CB -0.812 31.023 31.823 0.021 0.000 0.671 718 V HN 0.754 nan 8.190 nan 0.000 0.455 719 I N 0.382 120.953 120.570 0.002 0.000 2.361 719 I HA -0.130 4.040 4.170 0.000 0.000 0.251 719 I C 2.518 178.599 176.117 -0.059 0.000 1.133 719 I CA 1.695 62.977 61.300 -0.031 0.000 1.413 719 I CB -0.894 37.053 38.000 -0.088 0.000 1.073 719 I HN 0.156 nan 8.210 nan 0.000 0.424 720 A N 1.060 123.863 122.820 -0.029 0.000 1.908 720 A HA -0.292 4.028 4.320 0.000 0.000 0.218 720 A C 2.478 180.200 177.584 0.230 0.000 1.181 720 A CA 2.212 54.272 52.037 0.038 0.000 0.627 720 A CB -0.826 18.237 19.000 0.105 0.000 0.818 720 A HN 0.676 nan 8.150 nan 0.000 0.445 721 Q N -1.249 118.665 119.800 0.190 0.000 2.245 721 Q HA -0.091 4.249 4.340 0.000 0.000 0.201 721 Q C 1.719 177.851 176.000 0.219 0.000 0.955 721 Q CA 1.502 57.441 55.803 0.227 0.000 0.870 721 Q CB -0.095 28.704 28.738 0.101 0.000 0.945 721 Q HN 0.586 nan 8.270 nan 0.000 0.461 722 T N 1.074 115.724 114.554 0.160 0.000 2.951 722 T HA -0.018 4.332 4.350 0.000 0.000 0.268 722 T C 1.298 176.192 174.700 0.323 0.000 1.073 722 T CA 0.903 63.114 62.100 0.185 0.000 1.134 722 T CB -0.054 68.917 68.868 0.172 0.000 0.884 722 T HN 0.335 nan 8.240 nan 0.000 0.479 723 N N -0.131 118.707 118.700 0.230 0.000 2.416 723 N HA -0.003 4.737 4.740 0.000 0.000 0.177 723 N C 1.224 176.868 175.510 0.224 0.000 1.036 723 N CA 0.545 53.746 53.050 0.251 0.000 0.901 723 N CB -0.115 38.296 38.487 -0.127 0.000 0.976 723 N HN 0.528 nan 8.380 nan 0.000 0.444 724 W N 1.842 123.241 121.300 0.165 0.000 2.519 724 W HA 0.091 4.751 4.660 0.000 0.000 0.266 724 W C 2.197 178.769 176.519 0.090 0.000 1.253 724 W CA 0.368 57.784 57.345 0.119 0.000 1.274 724 W CB 0.225 29.723 29.460 0.064 0.000 1.114 724 W HN 0.015 nan 8.180 nan 0.000 0.596 725 K N -0.763 119.795 120.400 0.263 0.000 2.007 725 K HA -0.103 4.217 4.320 0.000 0.000 0.206 725 K C 1.719 178.339 176.600 0.032 0.000 1.047 725 K CA 1.282 57.620 56.287 0.085 0.000 0.937 725 K CB -0.730 31.738 32.500 -0.054 0.000 0.718 725 K HN -0.017 nan 8.250 nan 0.000 0.438 726 F N 1.022 121.020 119.950 0.080 0.000 2.120 726 F HA -0.253 4.274 4.527 0.000 0.000 0.300 726 F C 2.281 178.059 175.800 -0.037 0.000 1.095 726 F CA 1.072 59.088 58.000 0.026 0.000 1.249 726 F CB -0.605 38.433 39.000 0.063 0.000 0.995 726 F HN -0.196 nan 8.300 nan 0.000 0.480 727 V N -0.268 119.732 119.914 0.144 0.000 2.343 727 V HA -0.293 3.827 4.120 0.000 0.000 0.247 727 V C 2.357 178.570 176.094 0.199 0.000 1.051 727 V CA 2.165 64.529 62.300 0.108 0.000 1.036 727 V CB -0.541 31.224 31.823 -0.097 0.000 0.654 727 V HN 0.364 nan 8.190 nan 0.000 0.451 728 E N 0.241 120.542 120.200 0.169 0.000 2.058 728 E HA -0.203 4.147 4.350 0.000 0.000 0.194 728 E C 2.276 178.958 176.600 0.137 0.000 0.997 728 E CA 1.462 57.958 56.400 0.159 0.000 0.801 728 E CB -0.477 29.305 29.700 0.137 0.000 0.746 728 E HN 0.578 nan 8.360 nan 0.000 0.450 729 G N 1.238 110.092 108.800 0.090 0.000 2.440 729 G HA2 -0.250 3.710 3.960 0.000 0.000 0.218 729 G HA3 -0.250 3.710 3.960 0.000 0.000 0.218 729 G C 1.586 176.530 174.900 0.074 0.000 1.154 729 G CA 0.769 45.902 45.100 0.055 0.000 0.767 729 G HN 0.223 nan 8.290 nan 0.000 0.552 730 L N -0.316 120.958 121.223 0.085 0.000 2.141 730 L HA 0.087 4.427 4.340 0.000 0.000 0.209 730 L C 2.694 179.614 176.870 0.084 0.000 1.094 730 L CA 0.421 55.250 54.840 -0.018 0.000 0.763 730 L CB -0.256 41.642 42.059 -0.268 0.000 0.908 730 L HN 0.246 nan 8.230 nan 0.000 0.437 731 L N -0.264 121.135 121.223 0.292 0.000 2.068 731 L HA -0.167 4.173 4.340 0.000 0.000 0.204 731 L C 2.608 179.608 176.870 0.217 0.000 1.076 731 L CA 1.343 56.394 54.840 0.351 0.000 0.753 731 L CB -0.132 42.142 42.059 0.360 0.000 0.910 731 L HN 0.106 nan 8.230 nan 0.000 0.439 732 K N -0.283 120.207 120.400 0.150 0.000 2.147 732 K HA -0.261 4.059 4.320 0.000 0.000 0.205 732 K C 1.935 178.574 176.600 0.063 0.000 1.049 732 K CA 1.785 58.128 56.287 0.093 0.000 0.936 732 K CB -0.096 32.445 32.500 0.068 0.000 0.722 732 K HN 0.460 nan 8.250 nan 0.000 0.446 733 E N 0.725 120.966 120.200 0.068 0.000 2.028 733 E HA -0.227 4.123 4.350 0.000 0.000 0.191 733 E C 2.194 178.829 176.600 0.059 0.000 0.988 733 E CA 1.320 57.751 56.400 0.050 0.000 0.799 733 E CB -0.173 29.551 29.700 0.039 0.000 0.755 733 E HN 0.357 nan 8.360 nan 0.000 0.447 734 C N 1.543 120.902 119.300 0.098 0.000 2.376 734 C HA -0.189 4.271 4.460 0.000 0.000 0.275 734 C C 2.903 177.915 174.990 0.037 0.000 1.200 734 C CA 1.698 60.806 59.018 0.150 0.000 1.756 734 C CB -1.157 26.776 27.740 0.323 0.000 2.050 734 C HN 0.510 nan 8.230 nan 0.000 0.460 735 R N 0.536 121.001 120.500 -0.057 0.000 2.080 735 R HA -0.148 4.192 4.340 0.000 0.000 0.236 735 R C 2.094 178.275 176.300 -0.198 0.000 1.137 735 R CA 2.418 58.300 56.100 -0.363 0.000 0.943 735 R CB -0.663 29.438 30.300 -0.332 0.000 0.846 735 R HN 0.625 nan 8.270 nan 0.000 0.431 736 N N 1.005 119.658 118.700 -0.078 0.000 2.018 736 N HA -0.194 4.546 4.740 0.000 0.000 0.196 736 N C 1.687 177.189 175.510 -0.015 0.000 1.043 736 N CA 1.671 54.700 53.050 -0.035 0.000 0.856 736 N CB -0.348 38.139 38.487 -0.001 0.000 1.042 736 N HN 0.306 nan 8.380 nan 0.000 0.423 737 K N -0.023 120.388 120.400 0.017 0.000 2.063 737 K HA -0.047 4.273 4.320 0.000 0.000 0.208 737 K C 2.055 178.695 176.600 0.068 0.000 1.048 737 K CA 1.318 57.643 56.287 0.063 0.000 0.928 737 K CB -0.281 32.278 32.500 0.098 0.000 0.713 737 K HN 0.210 nan 8.250 nan 0.000 0.442 738 T N 1.538 116.082 114.554 -0.017 0.000 2.643 738 T HA -0.101 4.249 4.350 0.000 0.000 0.264 738 T C 1.683 176.308 174.700 -0.125 0.000 1.045 738 T CA 1.147 63.150 62.100 -0.162 0.000 1.155 738 T CB -0.014 68.674 68.868 -0.299 0.000 0.863 738 T HN 0.136 nan 8.240 nan 0.000 0.420 739 K N 0.889 121.219 120.400 -0.117 0.000 2.152 739 K HA -0.065 4.255 4.320 0.000 0.000 0.206 739 K C 2.366 178.963 176.600 -0.005 0.000 1.048 739 K CA 1.059 57.305 56.287 -0.067 0.000 0.933 739 K CB -0.221 32.236 32.500 -0.071 0.000 0.721 739 K HN 0.268 nan 8.250 nan 0.000 0.447 740 R N 0.715 121.228 120.500 0.021 0.000 2.052 740 R HA 0.085 4.425 4.340 0.000 0.000 0.226 740 R C 2.485 178.840 176.300 0.091 0.000 1.145 740 R CA 0.998 57.128 56.100 0.050 0.000 0.952 740 R CB -0.124 30.208 30.300 0.053 0.000 0.847 740 R HN 0.031 nan 8.270 nan 0.000 0.431 741 M N 0.485 120.175 119.600 0.151 0.000 2.195 741 M HA -0.221 4.259 4.480 0.000 0.000 0.260 741 M C 1.895 178.344 176.300 0.248 0.000 1.066 741 M CA 1.198 56.647 55.300 0.249 0.000 1.089 741 M CB -0.171 32.690 32.600 0.435 0.000 1.377 741 M HN 0.227 nan 8.290 nan 0.000 0.411 742 L N -0.666 120.664 121.223 0.177 0.000 2.131 742 L HA -0.091 4.249 4.340 0.000 0.000 0.206 742 L C 2.352 179.268 176.870 0.076 0.000 1.087 742 L CA 1.293 56.213 54.840 0.133 0.000 0.767 742 L CB -0.741 41.353 42.059 0.059 0.000 0.917 742 L HN 0.157 nan 8.230 nan 0.000 0.441 743 V N -0.434 119.515 119.914 0.058 0.000 2.379 743 V HA -0.186 3.934 4.120 0.000 0.000 0.245 743 V C 2.531 178.648 176.094 0.038 0.000 1.044 743 V CA 1.160 63.483 62.300 0.038 0.000 1.036 743 V CB -0.306 31.534 31.823 0.029 0.000 0.664 743 V HN 0.380 nan 8.190 nan 0.000 0.453 744 E N 0.210 120.442 120.200 0.053 0.000 2.110 744 E HA -0.263 4.087 4.350 0.000 0.000 0.193 744 E C 2.178 178.795 176.600 0.029 0.000 0.988 744 E CA 1.392 57.819 56.400 0.045 0.000 0.804 744 E CB -0.104 29.634 29.700 0.063 0.000 0.745 744 E HN 0.478 nan 8.360 nan 0.000 0.458 745 K N 0.326 120.743 120.400 0.029 0.000 2.116 745 K HA 0.060 4.380 4.320 0.000 0.000 0.203 745 K C 2.104 178.687 176.600 -0.028 0.000 1.052 745 K CA 0.644 56.913 56.287 -0.030 0.000 0.952 745 K CB 0.012 32.447 32.500 -0.109 0.000 0.729 745 K HN -0.011 nan 8.250 nan 0.000 0.446 746 M N -0.770 118.829 119.600 -0.002 0.000 2.296 746 M HA -0.001 4.479 4.480 0.000 0.000 0.265 746 M C 1.977 178.276 176.300 -0.001 0.000 1.064 746 M CA 1.521 56.821 55.300 -0.001 0.000 1.109 746 M CB -0.093 32.513 32.600 0.010 0.000 1.396 746 M HN 0.343 nan 8.290 nan 0.000 0.430 747 G N -0.358 108.444 108.800 0.003 0.000 2.464 747 G HA2 -0.133 3.827 3.960 0.000 0.000 0.217 747 G HA3 -0.133 3.827 3.960 0.000 0.000 0.217 747 G C 1.653 176.552 174.900 -0.001 0.000 1.138 747 G CA 0.167 45.269 45.100 0.003 0.000 0.793 747 G HN 0.341 nan 8.290 nan 0.000 0.539 748 R N 0.367 120.864 120.500 -0.006 0.000 2.090 748 R HA 0.037 4.377 4.340 0.000 0.000 0.228 748 R C 1.942 178.234 176.300 -0.013 0.000 1.110 748 R CA 0.889 56.983 56.100 -0.010 0.000 0.973 748 R CB -0.081 30.210 30.300 -0.016 0.000 0.869 748 R HN 0.349 nan 8.270 nan 0.000 0.440 749 E N -0.490 119.702 120.200 -0.014 0.000 2.511 749 E HA -0.035 4.315 4.350 0.000 0.000 0.196 749 E C 1.088 177.684 176.600 -0.007 0.000 1.066 749 E CA 0.279 56.673 56.400 -0.010 0.000 0.871 749 E CB 0.458 30.152 29.700 -0.010 0.000 0.863 749 E HN 0.362 nan 8.360 nan 0.000 0.520 750 A N 0.595 123.411 122.820 -0.006 0.000 1.864 750 A HA 0.078 4.398 4.320 0.000 0.000 0.213 750 A C 1.046 178.627 177.584 -0.005 0.000 1.266 750 A CA 0.441 52.476 52.037 -0.004 0.000 0.612 750 A CB 0.511 19.510 19.000 -0.002 0.000 0.940 750 A HN 0.073 nan 8.150 nan 0.000 0.463 751 V N 0.983 120.894 119.914 -0.005 0.000 2.340 751 V HA 0.460 4.580 4.120 0.000 0.000 0.277 751 V C -0.909 175.180 176.094 -0.008 0.000 1.017 751 V CA -0.311 61.985 62.300 -0.006 0.000 0.820 751 V CB 0.868 32.688 31.823 -0.004 0.000 1.028 751 V HN 0.573 nan 8.190 nan 0.000 0.436 752 E N 4.190 124.384 120.200 -0.011 0.000 2.528 752 E HA 0.656 5.006 4.350 0.000 0.000 0.277 752 E C -1.334 175.256 176.600 -0.016 0.000 0.980 752 E CA -0.352 56.040 56.400 -0.014 0.000 0.796 752 E CB 1.614 31.304 29.700 -0.016 0.000 1.427 752 E HN 0.639 nan 8.360 nan 0.000 0.394 753 L N 2.716 123.930 121.223 -0.014 0.000 2.337 753 L HA 0.912 5.252 4.340 0.000 0.000 0.269 753 L C 0.282 177.142 176.870 -0.016 0.000 1.018 753 L CA 0.138 54.969 54.840 -0.015 0.000 0.876 753 L CB 0.993 43.045 42.059 -0.012 0.000 1.236 753 L HN 0.547 nan 8.230 nan 0.000 0.436 760 I N 0.062 120.627 120.570 -0.007 0.000 2.333 760 I HA -0.129 4.041 4.170 0.000 0.000 0.246 760 I C 1.946 178.063 176.117 0.000 0.000 1.106 760 I CA 1.514 62.812 61.300 -0.004 0.000 1.411 760 I CB -0.355 37.643 38.000 -0.002 0.000 1.082 760 I HN 0.754 nan 8.210 nan 0.000 0.420 761 T N -1.581 112.973 114.554 0.001 0.000 3.055 761 T HA 0.045 4.395 4.350 0.000 0.000 0.265 761 T C 1.900 176.605 174.700 0.009 0.000 1.111 761 T CA 0.750 62.854 62.100 0.006 0.000 1.118 761 T CB -0.536 68.334 68.868 0.004 0.000 0.909 761 T HN 0.403 nan 8.240 nan 0.000 0.501 762 G N 1.246 110.047 108.800 0.002 0.000 2.421 762 G HA2 -0.040 3.920 3.960 0.000 0.000 0.217 762 G HA3 -0.040 3.920 3.960 0.000 0.000 0.217 762 G C 1.495 176.398 174.900 0.004 0.000 1.143 762 G CA 0.730 45.832 45.100 0.003 0.000 0.784 762 G HN 0.499 nan 8.290 nan 0.000 0.541 763 V N 0.426 120.340 119.914 -0.001 0.000 2.719 763 V HA -0.043 4.077 4.120 0.000 0.000 0.252 763 V C 2.470 178.567 176.094 0.006 0.000 1.065 763 V CA 1.480 63.778 62.300 -0.004 0.000 1.086 763 V CB -0.226 31.592 31.823 -0.007 0.000 0.700 763 V HN 0.402 nan 8.190 nan 0.000 0.467 764 E N 0.342 120.550 120.200 0.013 0.000 2.072 764 E HA -0.254 4.096 4.350 0.000 0.000 0.191 764 E C 2.227 178.848 176.600 0.036 0.000 0.985 764 E CA 1.293 57.707 56.400 0.023 0.000 0.801 764 E CB -0.043 29.672 29.700 0.024 0.000 0.750 764 E HN 0.692 nan 8.360 nan 0.000 0.452 765 E N 0.805 121.031 120.200 0.043 0.000 2.153 765 E HA -0.185 4.165 4.350 0.000 0.000 0.194 765 E C 1.735 178.367 176.600 0.053 0.000 0.988 765 E CA 0.794 57.237 56.400 0.071 0.000 0.811 765 E CB 0.149 29.901 29.700 0.086 0.000 0.746 765 E HN 0.152 nan 8.360 nan 0.000 0.466 766 N N -0.019 118.695 118.700 0.024 0.000 2.188 766 N HA -0.110 4.630 4.740 0.000 0.000 0.184 766 N C 1.913 177.423 175.510 0.000 0.000 1.018 766 N CA 1.898 54.949 53.050 0.000 0.000 0.858 766 N CB -0.296 38.178 38.487 -0.021 0.000 0.989 766 N HN 0.338 nan 8.380 nan 0.000 0.426 767 T N -0.449 114.111 114.554 0.010 0.000 2.985 767 T HA 0.126 4.476 4.350 0.000 0.000 0.266 767 T C 2.196 176.910 174.700 0.024 0.000 1.076 767 T CA 0.222 62.329 62.100 0.012 0.000 1.135 767 T CB -0.280 68.597 68.868 0.014 0.000 0.890 767 T HN 0.048 nan 8.240 nan 0.000 0.480 768 L N 0.256 121.501 121.223 0.037 0.000 2.046 768 L HA 0.054 4.394 4.340 0.000 0.000 0.208 768 L C 2.634 179.526 176.870 0.037 0.000 1.077 768 L CA 1.386 56.259 54.840 0.055 0.000 0.747 768 L CB -0.458 41.654 42.059 0.087 0.000 0.896 768 L HN 0.258 nan 8.230 nan 0.000 0.432 769 I N -0.477 120.097 120.570 0.007 0.000 2.394 769 I HA -0.229 3.941 4.170 0.000 0.000 0.251 769 I C 2.734 178.839 176.117 -0.019 0.000 1.136 769 I CA 0.812 62.087 61.300 -0.043 0.000 1.425 769 I CB -0.363 37.594 38.000 -0.071 0.000 1.079 769 I HN 0.190 nan 8.210 nan 0.000 0.425 770 A N 0.987 123.805 122.820 -0.003 0.000 1.877 770 A HA -0.253 4.067 4.320 0.000 0.000 0.216 770 A C 2.541 180.135 177.584 0.018 0.000 1.186 770 A CA 2.390 54.429 52.037 0.003 0.000 0.620 770 A CB -0.882 18.120 19.000 0.004 0.000 0.822 770 A HN 0.515 nan 8.150 nan 0.000 0.443 771 S N -0.251 115.466 115.700 0.028 0.000 2.368 771 S HA -0.084 4.386 4.470 0.000 0.000 0.224 771 S C 1.992 176.625 174.600 0.055 0.000 1.029 771 S CA 1.246 59.471 58.200 0.042 0.000 0.988 771 S CB -0.752 62.477 63.200 0.049 0.000 0.838 771 S HN 0.450 nan 8.310 nan 0.000 0.462 772 L N 0.668 121.925 121.223 0.058 0.000 2.079 772 L HA -0.138 4.202 4.340 0.000 0.000 0.210 772 L C 2.489 179.402 176.870 0.072 0.000 1.081 772 L CA 1.667 56.557 54.840 0.082 0.000 0.752 772 L CB -0.702 41.387 42.059 0.050 0.000 0.896 772 L HN 0.511 nan 8.230 nan 0.000 0.433 773 C N -0.534 118.788 119.300 0.037 0.000 2.466 773 C HA -0.140 4.320 4.460 0.000 0.000 0.278 773 C C 2.343 177.364 174.990 0.052 0.000 1.288 773 C CA 0.932 59.972 59.018 0.038 0.000 1.722 773 C CB -0.709 27.041 27.740 0.017 0.000 2.017 773 C HN 0.591 nan 8.230 nan 0.000 0.488 774 D N 0.401 120.830 120.400 0.049 0.000 2.144 774 D HA -0.101 4.539 4.640 0.000 0.000 0.200 774 D C 2.096 178.433 176.300 0.061 0.000 0.978 774 D CA 0.676 54.707 54.000 0.052 0.000 0.833 774 D CB -0.293 40.533 40.800 0.044 0.000 0.961 774 D HN 0.367 nan 8.370 nan 0.000 0.470 775 L N 0.058 121.320 121.223 0.065 0.000 2.046 775 L HA -0.151 4.189 4.340 0.000 0.000 0.208 775 L C 2.162 179.073 176.870 0.069 0.000 1.077 775 L CA 1.081 55.955 54.840 0.057 0.000 0.747 775 L CB -0.241 41.866 42.059 0.079 0.000 0.896 775 L HN 0.195 nan 8.230 nan 0.000 0.432 776 L N -0.607 120.691 121.223 0.126 0.000 2.141 776 L HA -0.187 4.153 4.340 0.000 0.000 0.209 776 L C 2.695 179.700 176.870 0.225 0.000 1.094 776 L CA 0.829 55.789 54.840 0.199 0.000 0.763 776 L CB -0.475 41.668 42.059 0.140 0.000 0.908 776 L HN 0.293 nan 8.230 nan 0.000 0.437 777 E N 0.276 120.560 120.200 0.141 0.000 2.028 777 E HA -0.167 4.183 4.350 0.000 0.000 0.191 777 E C 2.298 179.002 176.600 0.173 0.000 0.988 777 E CA 0.983 57.479 56.400 0.160 0.000 0.799 777 E CB -0.139 29.622 29.700 0.102 0.000 0.755 777 E HN 0.433 nan 8.360 nan 0.000 0.447 778 R N 0.425 120.984 120.500 0.099 0.000 2.091 778 R HA -0.093 4.247 4.340 0.000 0.000 0.238 778 R C 2.574 178.883 176.300 0.015 0.000 1.136 778 R CA 1.125 57.260 56.100 0.058 0.000 0.959 778 R CB -0.448 29.864 30.300 0.021 0.000 0.856 778 R HN 0.211 nan 8.270 nan 0.000 0.437 779 I N -0.699 119.835 120.570 -0.060 0.000 2.264 779 I HA -0.298 3.872 4.170 0.000 0.000 0.248 779 I C 1.989 178.002 176.117 -0.173 0.000 1.111 779 I CA 1.200 62.319 61.300 -0.302 0.000 1.382 779 I CB -0.259 37.428 38.000 -0.522 0.000 1.060 779 I HN 0.377 nan 8.210 nan 0.000 0.418 780 W N 0.293 121.536 121.300 -0.095 0.000 3.047 780 W HA 0.033 4.693 4.660 0.000 0.000 0.250 780 W C 2.046 178.660 176.519 0.158 0.000 1.314 780 W CA 0.398 57.754 57.345 0.018 0.000 1.540 780 W CB 0.122 29.651 29.460 0.115 0.000 1.127 780 W HN 0.091 nan 8.180 nan 0.000 0.679 781 S N -1.691 114.160 115.700 0.251 0.000 2.524 781 S HA -0.009 4.461 4.470 0.000 0.000 0.215 781 S C 0.385 175.080 174.600 0.159 0.000 0.986 781 S CA -0.172 58.155 58.200 0.211 0.000 0.911 781 S CB -0.270 63.020 63.200 0.150 0.000 0.805 781 S HN 0.135 nan 8.310 nan 0.000 0.501 782 H N 2.062 121.136 119.070 0.007 0.000 3.160 782 H HA 0.323 4.879 4.556 0.000 0.000 0.257 782 H C 0.602 175.908 175.328 -0.036 0.000 1.140 782 H CA 0.787 56.813 56.048 -0.036 0.000 1.492 782 H CB -0.535 29.180 29.762 -0.079 0.000 1.529 782 H HN 0.432 nan 8.280 nan 0.000 0.490 783 G N 5.406 113.999 108.800 -0.345 0.000 2.587 783 G HA2 -0.167 3.793 3.960 0.000 0.000 0.274 783 G HA3 -0.167 3.793 3.960 0.000 0.000 0.274 783 G C -0.433 174.367 174.900 -0.166 0.000 1.046 783 G CA 0.375 45.204 45.100 -0.452 0.000 1.308 783 G HN 0.866 nan 8.290 nan 0.000 0.529 784 L N -2.119 119.028 121.223 -0.126 0.000 2.892 784 L HA 0.831 5.171 4.340 0.000 0.000 0.269 784 L C -0.645 176.126 176.870 -0.165 0.000 1.058 784 L CA -1.429 53.291 54.840 -0.200 0.000 0.923 784 L CB 1.346 43.227 42.059 -0.297 0.000 1.518 784 L HN 0.024 nan 8.230 nan 0.000 0.402 785 Q N 2.194 121.876 119.800 -0.197 0.000 2.681 785 Q HA 0.240 4.580 4.340 0.000 0.000 0.222 785 Q C -0.005 175.940 176.000 -0.092 0.000 1.258 785 Q CA -0.321 55.408 55.803 -0.124 0.000 1.014 785 Q CB 0.704 29.365 28.738 -0.128 0.000 1.384 785 Q HN 0.528 nan 8.270 nan 0.000 0.570 786 V N 3.333 123.214 119.914 -0.057 0.000 2.703 786 V HA -0.177 3.943 4.120 0.000 0.000 0.300 786 V C 0.542 176.632 176.094 -0.007 0.000 1.063 786 V CA 0.790 63.078 62.300 -0.020 0.000 1.240 786 V CB 0.091 31.913 31.823 -0.001 0.000 0.845 786 V HN 0.439 nan 8.190 nan 0.000 0.476 787 K N 4.648 125.053 120.400 0.009 0.000 2.132 787 K HA 0.121 4.441 4.320 0.000 0.000 0.240 787 K C 0.943 177.555 176.600 0.021 0.000 1.036 787 K CA -0.011 56.287 56.287 0.019 0.000 0.888 787 K CB 0.513 33.029 32.500 0.026 0.000 1.071 787 K HN 0.854 nan 8.250 nan 0.000 0.502 788 Q N 0.184 119.995 119.800 0.019 0.000 2.311 788 Q HA -0.006 4.334 4.340 0.000 0.000 0.203 788 Q C 0.517 176.535 176.000 0.031 0.000 0.954 788 Q CA 0.522 56.337 55.803 0.021 0.000 0.885 788 Q CB -0.048 28.700 28.738 0.016 0.000 0.963 788 Q HN 0.726 nan 8.270 nan 0.000 0.471 789 G N 0.666 109.489 108.800 0.038 0.000 2.559 789 G HA2 -0.083 3.877 3.960 0.000 0.000 0.235 789 G HA3 -0.083 3.877 3.960 0.000 0.000 0.235 789 G C 0.339 175.279 174.900 0.065 0.000 1.266 789 G CA -0.425 44.711 45.100 0.060 0.000 0.847 789 G HN 0.155 nan 8.290 nan 0.000 0.583 790 K N 0.069 120.509 120.400 0.068 0.000 2.243 790 K HA 0.006 4.326 4.320 0.000 0.000 0.201 790 K C 1.349 177.996 176.600 0.078 0.000 1.051 790 K CA 0.411 56.734 56.287 0.060 0.000 0.970 790 K CB 0.233 32.759 32.500 0.042 0.000 0.755 790 K HN 0.362 nan 8.250 nan 0.000 0.465 791 S N 0.033 115.796 115.700 0.105 0.000 2.433 791 S HA 0.461 4.931 4.470 0.000 0.000 0.310 791 S C 0.624 175.327 174.600 0.172 0.000 1.097 791 S CA -0.388 57.891 58.200 0.132 0.000 1.103 791 S CB 1.503 64.785 63.200 0.136 0.000 0.992 791 S HN 0.212 nan 8.310 nan 0.000 0.469 792 A N 4.721 127.656 122.820 0.192 0.000 2.067 792 A HA 0.114 4.434 4.320 0.000 0.000 0.217 792 A C 1.737 179.526 177.584 0.341 0.000 1.156 792 A CA 0.645 52.847 52.037 0.275 0.000 0.683 792 A CB -0.437 18.762 19.000 0.333 0.000 0.808 792 A HN 0.796 nan 8.150 nan 0.000 0.455 793 L N -1.589 119.734 121.223 0.167 0.000 2.131 793 L HA 0.036 4.376 4.340 0.000 0.000 0.206 793 L C 2.053 178.893 176.870 -0.049 0.000 1.087 793 L CA 1.455 56.191 54.840 -0.173 0.000 0.767 793 L CB -0.516 41.350 42.059 -0.321 0.000 0.917 793 L HN 0.674 nan 8.230 nan 0.000 0.441 794 W N -0.724 120.485 121.300 -0.151 0.000 2.518 794 W HA -0.110 4.550 4.660 0.000 0.000 0.273 794 W C 2.047 178.486 176.519 -0.133 0.000 1.247 794 W CA 0.884 58.123 57.345 -0.177 0.000 1.288 794 W CB 0.232 29.622 29.460 -0.117 0.000 1.107 794 W HN 0.186 nan 8.180 nan 0.000 0.586 795 S N -1.143 114.563 115.700 0.009 0.000 2.371 795 S HA -0.234 4.236 4.470 0.000 0.000 0.224 795 S C 1.519 176.068 174.600 -0.085 0.000 1.029 795 S CA 1.249 59.372 58.200 -0.128 0.000 0.978 795 S CB -0.767 62.428 63.200 -0.007 0.000 0.833 795 S HN 0.438 nan 8.310 nan 0.000 0.466 796 H N 0.431 119.527 119.070 0.044 0.000 2.495 796 H HA 0.136 4.692 4.556 0.000 0.000 0.287 796 H C 1.922 177.250 175.328 0.001 0.000 1.033 796 H CA 0.594 56.754 56.048 0.187 0.000 1.307 796 H CB 0.022 30.079 29.762 0.491 0.000 1.401 796 H HN 0.266 nan 8.280 nan 0.000 0.555 797 L N 0.218 121.279 121.223 -0.270 0.000 2.007 797 L HA -0.164 4.176 4.340 0.000 0.000 0.205 797 L C 2.590 179.144 176.870 -0.527 0.000 1.073 797 L CA 0.628 55.131 54.840 -0.561 0.000 0.744 797 L CB -0.325 41.231 42.059 -0.837 0.000 0.898 797 L HN 0.298 nan 8.230 nan 0.000 0.435 798 L N -0.790 120.007 121.223 -0.710 0.000 2.089 798 L HA -0.342 3.998 4.340 0.000 0.000 0.213 798 L C 2.497 179.171 176.870 -0.327 0.000 1.079 798 L CA 1.576 56.035 54.840 -0.635 0.000 0.758 798 L CB -0.624 41.015 42.059 -0.701 0.000 0.891 798 L HN 0.377 nan 8.230 nan 0.000 0.433 799 H N -2.535 116.452 119.070 -0.138 0.000 2.293 799 H HA -0.249 4.307 4.556 0.000 0.000 0.300 799 H C 2.059 177.380 175.328 -0.013 0.000 1.082 799 H CA 1.876 57.899 56.048 -0.041 0.000 1.308 799 H CB -0.122 29.669 29.762 0.049 0.000 1.375 799 H HN 0.216 nan 8.280 nan 0.000 0.495 800 Y N 1.719 122.016 120.300 -0.003 0.000 2.241 800 Y HA -0.330 4.220 4.550 0.000 0.000 0.286 800 Y C 2.701 178.534 175.900 -0.112 0.000 1.166 800 Y CA 1.948 60.005 58.100 -0.072 0.000 1.203 800 Y CB -0.141 38.221 38.460 -0.164 0.000 0.977 800 Y HN 0.261 nan 8.280 nan 0.000 0.529 801 Q N -0.019 119.813 119.800 0.054 0.000 2.046 801 Q HA -0.243 4.097 4.340 0.000 0.000 0.200 801 Q C 2.264 178.225 176.000 -0.064 0.000 0.975 801 Q CA 1.791 57.570 55.803 -0.041 0.000 0.836 801 Q CB -0.287 28.347 28.738 -0.173 0.000 0.896 801 Q HN 0.653 nan 8.270 nan 0.000 0.428 802 E N -0.429 119.733 120.200 -0.063 0.000 2.347 802 E HA -0.129 4.221 4.350 0.000 0.000 0.196 802 E C 0.787 177.361 176.600 -0.044 0.000 1.008 802 E CA 0.703 57.075 56.400 -0.047 0.000 0.852 802 E CB 0.221 29.906 29.700 -0.024 0.000 0.783 802 E HN 0.344 nan 8.360 nan 0.000 0.505 803 N N -0.077 118.586 118.700 -0.062 0.000 2.336 803 N HA 0.040 4.780 4.740 0.000 0.000 0.189 803 N C 0.982 176.407 175.510 -0.141 0.000 1.113 803 N CA 0.172 53.163 53.050 -0.099 0.000 0.858 803 N CB 0.391 38.807 38.487 -0.119 0.000 0.970 803 N HN 0.031 nan 8.380 nan 0.000 0.471 804 R N -0.399 120.018 120.500 -0.139 0.000 2.254 804 R HA 0.151 4.491 4.340 0.000 0.000 0.193 804 R C 1.543 177.795 176.300 -0.080 0.000 0.929 804 R CA 0.238 56.259 56.100 -0.131 0.000 1.038 804 R CB -0.002 30.222 30.300 -0.126 0.000 1.009 804 R HN 0.231 nan 8.270 nan 0.000 0.512 805 Q N 0.834 120.593 119.800 -0.067 0.000 2.167 805 Q HA -0.038 4.303 4.340 0.000 0.000 0.202 805 Q C 1.842 177.814 176.000 -0.046 0.000 0.970 805 Q CA 1.413 57.185 55.803 -0.051 0.000 0.855 805 Q CB 0.169 28.879 28.738 -0.046 0.000 0.911 805 Q HN -0.023 nan 8.270 nan 0.000 0.438 806 R N 0.597 121.066 120.500 -0.052 0.000 2.062 806 R HA 0.044 4.384 4.340 0.000 0.000 0.229 806 R C 0.398 176.670 176.300 -0.047 0.000 1.128 806 R CA 0.905 56.977 56.100 -0.046 0.000 0.960 806 R CB -0.349 29.922 30.300 -0.048 0.000 0.855 806 R HN 0.175 nan 8.270 nan 0.000 0.432 807 K N 1.722 122.086 120.400 -0.059 0.000 2.054 807 K HA 0.093 4.413 4.320 0.000 0.000 0.242 807 K C -0.293 176.280 176.600 -0.046 0.000 1.157 807 K CA 0.056 56.311 56.287 -0.055 0.000 1.079 807 K CB -0.043 32.415 32.500 -0.070 0.000 1.331 807 K HN -0.091 nan 8.250 nan 0.000 0.317 832 V N 3.721 123.630 119.914 -0.009 0.000 2.680 832 V HA 0.743 4.863 4.120 0.000 0.000 0.309 832 V C -0.334 175.766 176.094 0.010 0.000 1.052 832 V CA -0.441 61.858 62.300 -0.003 0.000 0.908 832 V CB 1.597 33.420 31.823 -0.000 0.000 1.001 832 V HN 0.659 nan 8.190 nan 0.000 0.431 833 M N 4.428 124.037 119.600 0.016 0.000 2.494 833 M HA 0.656 5.136 4.480 0.000 0.000 0.300 833 M C 0.327 176.675 176.300 0.080 0.000 1.189 833 M CA -0.429 54.902 55.300 0.052 0.000 0.982 833 M CB 1.286 33.903 32.600 0.028 0.000 1.534 833 M HN 0.635 nan 8.290 nan 0.000 0.488 834 S N 0.847 116.619 115.700 0.120 0.000 2.549 834 S HA 0.346 4.816 4.470 0.000 0.000 0.286 834 S C -2.133 172.522 174.600 0.091 0.000 1.314 834 S CA -1.016 57.239 58.200 0.092 0.000 1.062 834 S CB -0.612 62.641 63.200 0.088 0.000 0.865 834 S HN 0.648 nan 8.310 nan 0.000 0.498 835 P HA 0.299 nan 4.420 nan 0.000 0.274 835 P C -0.533 176.797 177.300 0.049 0.000 1.231 835 P CA -0.671 62.459 63.100 0.049 0.000 0.790 835 P CB 0.595 32.313 31.700 0.030 0.000 0.951 836 L N 2.117 123.369 121.223 0.048 0.000 2.418 836 L HA 0.276 4.616 4.340 0.000 0.000 0.265 836 L C 1.400 178.293 176.870 0.037 0.000 1.143 836 L CA -0.774 54.095 54.840 0.047 0.000 0.809 836 L CB 0.398 42.490 42.059 0.056 0.000 1.124 836 L HN 0.262 nan 8.230 nan 0.000 0.456 837 R N 2.948 123.470 120.500 0.036 0.000 2.370 837 R HA 0.271 4.611 4.340 0.000 0.000 0.309 837 R C -0.606 175.717 176.300 0.039 0.000 1.059 837 R CA 0.057 56.174 56.100 0.028 0.000 0.981 837 R CB 0.012 30.321 30.300 0.015 0.000 0.972 837 R HN 0.458 nan 8.270 nan 0.000 0.437 838 I N 2.085 122.679 120.570 0.040 0.000 2.297 838 I HA 0.116 4.286 4.170 0.000 0.000 0.291 838 I C 0.388 176.534 176.117 0.048 0.000 1.033 838 I CA 0.013 61.352 61.300 0.065 0.000 1.253 838 I CB 1.192 39.228 38.000 0.060 0.000 1.396 838 I HN 0.406 nan 8.210 nan 0.000 0.476 839 S N 5.912 121.632 115.700 0.034 0.000 2.584 839 S HA 0.242 4.712 4.470 0.000 0.000 0.280 839 S C 0.354 174.781 174.600 -0.288 0.000 1.162 839 S CA -0.876 57.270 58.200 -0.090 0.000 0.951 839 S CB 1.203 64.378 63.200 -0.042 0.000 1.108 839 S HN 0.621 nan 8.310 nan 0.000 0.464 840 L N 4.449 125.291 121.223 -0.634 0.000 2.187 840 L HA 0.120 4.460 4.340 0.000 0.000 0.213 840 L C 1.687 178.464 176.870 -0.156 0.000 1.100 840 L CA 1.653 56.063 54.840 -0.716 0.000 0.765 840 L CB -0.757 40.962 42.059 -0.566 0.000 0.904 840 L HN 0.761 nan 8.230 nan 0.000 0.437 841 I N -0.923 119.569 120.570 -0.131 0.000 2.353 841 I HA -0.154 4.016 4.170 0.000 0.000 0.248 841 I C 2.724 178.816 176.117 -0.041 0.000 1.119 841 I CA 0.718 61.981 61.300 -0.061 0.000 1.417 841 I CB -0.577 37.412 38.000 -0.019 0.000 1.078 841 I HN 0.361 nan 8.210 nan 0.000 0.421 842 Q N 0.954 120.722 119.800 -0.054 0.000 2.002 842 Q HA -0.234 4.106 4.340 0.000 0.000 0.204 842 Q C 1.755 177.677 176.000 -0.129 0.000 0.988 842 Q CA 1.751 57.485 55.803 -0.116 0.000 0.843 842 Q CB -0.378 28.317 28.738 -0.072 0.000 0.908 842 Q HN 0.507 nan 8.270 nan 0.000 0.420 843 D N -0.253 120.211 120.400 0.107 0.000 2.310 843 D HA -0.094 4.546 4.640 0.000 0.000 0.212 843 D C 1.829 178.347 176.300 0.364 0.000 0.965 843 D CA 0.622 54.778 54.000 0.259 0.000 0.879 843 D CB -0.010 40.949 40.800 0.264 0.000 0.921 843 D HN 0.293 nan 8.370 nan 0.000 0.510 844 M N 0.252 120.052 119.600 0.333 0.000 2.123 844 M HA -0.143 4.337 4.480 0.000 0.000 0.263 844 M C 2.812 179.243 176.300 0.218 0.000 1.069 844 M CA 1.440 56.938 55.300 0.330 0.000 1.133 844 M CB -0.097 32.518 32.600 0.026 0.000 1.356 844 M HN -0.026 nan 8.290 nan 0.000 0.415 845 R N -0.152 120.374 120.500 0.044 0.000 2.117 845 R HA -0.197 4.143 4.340 0.000 0.000 0.243 845 R C 1.731 178.043 176.300 0.020 0.000 1.143 845 R CA 2.123 58.211 56.100 -0.021 0.000 0.968 845 R CB -2.298 27.918 30.300 -0.140 0.000 0.863 845 R HN 0.536 nan 8.270 nan 0.000 0.444 846 H N 0.306 119.409 119.070 0.053 0.000 2.387 846 H HA 0.015 4.571 4.556 0.000 0.000 0.299 846 H C 2.086 177.422 175.328 0.014 0.000 1.090 846 H CA 1.665 57.716 56.048 0.005 0.000 1.332 846 H CB 0.086 29.805 29.762 -0.071 0.000 1.386 846 H HN 0.333 nan 8.280 nan 0.000 0.516 847 I N 0.510 121.196 120.570 0.193 0.000 2.406 847 I HA -0.134 4.036 4.170 0.000 0.000 0.249 847 I C 2.165 178.339 176.117 0.094 0.000 1.122 847 I CA 0.693 62.058 61.300 0.108 0.000 1.431 847 I CB -1.041 37.053 38.000 0.157 0.000 1.087 847 I HN 0.165 nan 8.210 nan 0.000 0.424 848 Q N 1.324 121.228 119.800 0.173 0.000 2.291 848 Q HA -0.177 4.163 4.340 0.000 0.000 0.206 848 Q C 0.550 176.600 176.000 0.083 0.000 0.976 848 Q CA 1.354 57.252 55.803 0.158 0.000 0.875 848 Q CB -0.135 28.700 28.738 0.160 0.000 0.927 848 Q HN 0.667 nan 8.270 nan 0.000 0.450 849 N N -0.347 118.393 118.700 0.066 0.000 2.546 849 N HA 0.175 4.915 4.740 0.000 0.000 0.286 849 N C -0.860 174.664 175.510 0.023 0.000 1.259 849 N CA 0.032 53.108 53.050 0.044 0.000 0.939 849 N CB 0.198 38.713 38.487 0.046 0.000 1.243 849 N HN 0.049 nan 8.380 nan 0.000 0.511 850 I N 0.152 120.722 120.570 0.000 0.000 2.428 850 I HA 0.331 4.501 4.170 0.000 0.000 0.279 850 I C 1.323 177.428 176.117 -0.020 0.000 1.040 850 I CA -0.955 60.323 61.300 -0.037 0.000 1.171 850 I CB 1.413 39.337 38.000 -0.127 0.000 1.312 850 I HN 0.309 nan 8.210 nan 0.000 0.470 851 G N 5.165 113.964 108.800 -0.003 0.000 2.491 851 G HA2 -0.259 3.701 3.960 0.000 0.000 0.218 851 G HA3 -0.259 3.701 3.960 0.000 0.000 0.218 851 G C 1.403 176.308 174.900 0.008 0.000 1.180 851 G CA 0.903 46.007 45.100 0.006 0.000 0.774 851 G HN 0.746 nan 8.290 nan 0.000 0.562 852 E N 0.740 120.949 120.200 0.015 0.000 2.171 852 E HA -0.166 4.184 4.350 0.000 0.000 0.197 852 E C 1.067 177.684 176.600 0.029 0.000 0.997 852 E CA 0.553 56.970 56.400 0.029 0.000 0.810 852 E CB -0.553 29.179 29.700 0.053 0.000 0.738 852 E HN 0.476 nan 8.360 nan 0.000 0.467 853 I N 1.975 122.555 120.570 0.016 0.000 2.436 853 I HA 0.051 4.221 4.170 0.000 0.000 0.289 853 I C 1.354 177.458 176.117 -0.022 0.000 1.083 853 I CA 0.079 61.378 61.300 -0.001 0.000 1.372 853 I CB 0.704 38.680 38.000 -0.041 0.000 1.408 853 I HN -0.056 nan 8.210 nan 0.000 0.516 854 K N 2.829 123.217 120.400 -0.019 0.000 2.350 854 K HA 0.083 4.403 4.320 0.000 0.000 0.196 854 K C 0.772 177.356 176.600 -0.028 0.000 1.084 854 K CA 0.262 56.540 56.287 -0.015 0.000 0.967 854 K CB 0.407 32.907 32.500 -0.001 0.000 0.950 854 K HN 0.738 nan 8.250 nan 0.000 0.512 855 T N -0.329 114.198 114.554 -0.044 0.000 2.904 855 T HA 0.112 4.462 4.350 0.000 0.000 0.290 855 T C 0.646 175.273 174.700 -0.122 0.000 1.018 855 T CA -0.593 61.476 62.100 -0.051 0.000 1.075 855 T CB 1.236 70.081 68.868 -0.040 0.000 0.986 855 T HN -0.068 nan 8.240 nan 0.000 0.523 856 D N 1.004 121.354 120.400 -0.084 0.000 2.219 856 D HA -0.075 4.565 4.640 0.000 0.000 0.205 856 D C 2.174 178.316 176.300 -0.264 0.000 0.970 856 D CA 0.735 54.641 54.000 -0.156 0.000 0.851 856 D CB 0.040 40.909 40.800 0.116 0.000 0.943 856 D HN 0.425 nan 8.370 nan 0.000 0.488 857 V N 1.098 120.938 119.914 -0.124 0.000 2.358 857 V HA -0.130 3.990 4.120 0.000 0.000 0.246 857 V C 2.653 178.661 176.094 -0.143 0.000 1.047 857 V CA 1.914 64.158 62.300 -0.093 0.000 1.035 857 V CB -0.978 30.826 31.823 -0.032 0.000 0.658 857 V HN 0.191 nan 8.190 nan 0.000 0.452 858 G N -0.092 108.620 108.800 -0.145 0.000 2.422 858 G HA2 -0.216 3.744 3.960 0.000 0.000 0.218 858 G HA3 -0.216 3.744 3.960 0.000 0.000 0.218 858 G C 1.654 176.431 174.900 -0.205 0.000 1.146 858 G CA 0.736 45.770 45.100 -0.110 0.000 0.769 858 G HN 0.483 nan 8.290 nan 0.000 0.547 859 K N 0.596 120.712 120.400 -0.472 0.000 2.026 859 K HA 0.008 4.328 4.320 0.000 0.000 0.208 859 K C 2.954 179.106 176.600 -0.746 0.000 1.048 859 K CA 1.096 56.878 56.287 -0.842 0.000 0.929 859 K CB -0.235 31.223 32.500 -1.738 0.000 0.713 859 K HN 0.268 nan 8.250 nan 0.000 0.439 860 A N 1.636 124.097 122.820 -0.598 0.000 1.873 860 A HA -0.158 4.162 4.320 0.000 0.000 0.215 860 A C 2.083 179.691 177.584 0.041 0.000 1.186 860 A CA 1.292 53.257 52.037 -0.119 0.000 0.616 860 A CB -0.402 18.591 19.000 -0.011 0.000 0.823 860 A HN 0.198 nan 8.150 nan 0.000 0.442 861 R N -0.515 119.974 120.500 -0.018 0.000 2.120 861 R HA -0.073 4.267 4.340 0.000 0.000 0.234 861 R C 2.388 178.744 176.300 0.093 0.000 1.123 861 R CA 1.142 57.262 56.100 0.033 0.000 0.975 861 R CB -0.395 29.913 30.300 0.014 0.000 0.866 861 R HN 0.532 nan 8.270 nan 0.000 0.446 862 A N 0.111 123.000 122.820 0.115 0.000 1.897 862 A HA -0.181 4.139 4.320 0.000 0.000 0.215 862 A C 1.851 179.538 177.584 0.171 0.000 1.181 862 A CA 0.909 53.091 52.037 0.241 0.000 0.620 862 A CB -0.805 18.277 19.000 0.136 0.000 0.821 862 A HN 0.570 nan 8.150 nan 0.000 0.443 863 W N 0.197 121.470 121.300 -0.046 0.000 2.338 863 W HA -0.173 4.487 4.660 0.000 0.000 0.304 863 W C 2.118 178.612 176.519 -0.042 0.000 1.212 863 W CA 2.150 59.483 57.345 -0.021 0.000 1.264 863 W CB -0.226 29.276 29.460 0.070 0.000 1.142 863 W HN 0.165 nan 8.180 nan 0.000 0.512 864 V N 1.531 121.441 119.914 -0.006 0.000 2.667 864 V HA -0.171 3.949 4.120 0.000 0.000 0.252 864 V C 2.299 178.200 176.094 -0.322 0.000 1.065 864 V CA 2.040 64.204 62.300 -0.227 0.000 1.083 864 V CB -0.391 31.420 31.823 -0.021 0.000 0.692 864 V HN 0.197 nan 8.190 nan 0.000 0.468 865 R N -0.435 119.966 120.500 -0.165 0.000 2.062 865 R HA -0.029 4.311 4.340 0.000 0.000 0.226 865 R C 2.196 178.401 176.300 -0.157 0.000 1.125 865 R CA 1.533 57.559 56.100 -0.123 0.000 0.966 865 R CB -0.680 29.666 30.300 0.077 0.000 0.861 865 R HN 0.491 nan 8.270 nan 0.000 0.433 866 L N 1.239 122.342 121.223 -0.200 0.000 2.042 866 L HA -0.142 4.198 4.340 0.000 0.000 0.210 866 L C 1.819 178.383 176.870 -0.510 0.000 1.076 866 L CA 1.886 56.436 54.840 -0.484 0.000 0.749 866 L CB -0.535 41.018 42.059 -0.843 0.000 0.893 866 L HN 0.001 nan 8.230 nan 0.000 0.432 867 S N -0.703 114.597 115.700 -0.667 0.000 2.402 867 S HA -0.122 4.348 4.470 0.000 0.000 0.229 867 S C 1.906 176.186 174.600 -0.534 0.000 1.021 867 S CA 1.673 59.423 58.200 -0.750 0.000 0.974 867 S CB -0.345 62.197 63.200 -1.096 0.000 0.800 867 S HN 0.490 nan 8.310 nan 0.000 0.484 868 M N 0.988 120.299 119.600 -0.482 0.000 2.200 868 M HA -0.076 4.404 4.480 0.000 0.000 0.265 868 M C 2.426 178.552 176.300 -0.291 0.000 1.066 868 M CA 1.246 56.262 55.300 -0.474 0.000 1.127 868 M CB -0.313 31.873 32.600 -0.690 0.000 1.379 868 M HN 0.362 nan 8.290 nan 0.000 0.420 869 E N 0.883 120.954 120.200 -0.214 0.000 2.072 869 E HA -0.168 4.182 4.350 0.000 0.000 0.191 869 E C 1.673 178.214 176.600 -0.098 0.000 0.985 869 E CA 1.107 57.441 56.400 -0.110 0.000 0.801 869 E CB 0.197 29.870 29.700 -0.044 0.000 0.750 869 E HN 0.388 nan 8.360 nan 0.000 0.452 870 K N 0.244 120.536 120.400 -0.180 0.000 2.365 870 K HA -0.046 4.274 4.320 0.000 0.000 0.199 870 K C 0.093 176.566 176.600 -0.211 0.000 1.045 870 K CA 0.699 56.873 56.287 -0.189 0.000 0.962 870 K CB 0.096 32.452 32.500 -0.240 0.000 0.759 870 K HN 0.042 nan 8.250 nan 0.000 0.469 871 K N -0.065 120.202 120.400 -0.222 0.000 3.200 871 K HA -0.149 4.171 4.320 0.000 0.000 0.272 871 K C -0.211 176.262 176.600 -0.212 0.000 1.150 871 K CA 0.380 56.564 56.287 -0.173 0.000 0.801 871 K CB -1.833 30.593 32.500 -0.124 0.000 1.269 871 K HN 0.172 nan 8.250 nan 0.000 0.500 872 L N -0.371 120.643 121.223 -0.348 0.000 3.358 872 L HA 0.137 4.477 4.340 0.000 0.000 0.301 872 L C 1.407 177.963 176.870 -0.525 0.000 1.276 872 L CA -0.361 54.211 54.840 -0.447 0.000 1.028 872 L CB 0.255 41.892 42.059 -0.703 0.000 1.421 872 L HN 0.085 nan 8.230 nan 0.000 0.604 873 L N -0.047 120.947 121.223 -0.381 0.000 2.027 873 L HA -0.110 4.230 4.340 0.000 0.000 0.206 873 L C 2.548 179.358 176.870 -0.101 0.000 1.074 873 L CA 2.253 56.918 54.840 -0.292 0.000 0.745 873 L CB -0.355 41.574 42.059 -0.217 0.000 0.898 873 L HN 0.310 nan 8.230 nan 0.000 0.433 874 S N -0.753 114.893 115.700 -0.090 0.000 2.353 874 S HA -0.224 4.246 4.470 0.000 0.000 0.222 874 S C 2.220 176.802 174.600 -0.031 0.000 1.035 874 S CA 1.405 59.555 58.200 -0.084 0.000 1.025 874 S CB -0.257 62.872 63.200 -0.119 0.000 0.902 874 S HN 0.488 nan 8.310 nan 0.000 0.440 875 R N -0.222 120.259 120.500 -0.030 0.000 2.094 875 R HA -0.115 4.225 4.340 0.000 0.000 0.239 875 R C 2.367 178.767 176.300 0.166 0.000 1.137 875 R CA 2.075 58.202 56.100 0.045 0.000 0.943 875 R CB -0.808 29.525 30.300 0.055 0.000 0.850 875 R HN 0.675 nan 8.270 nan 0.000 0.433 876 H N 0.064 119.143 119.070 0.014 0.000 2.387 876 H HA -0.110 4.446 4.556 0.000 0.000 0.299 876 H C 2.221 177.621 175.328 0.120 0.000 1.099 876 H CA 1.044 57.152 56.048 0.101 0.000 1.315 876 H CB 0.056 29.965 29.762 0.244 0.000 1.380 876 H HN 0.175 nan 8.280 nan 0.000 0.513 877 L N 0.483 121.875 121.223 0.283 0.000 2.131 877 L HA -0.122 4.218 4.340 0.000 0.000 0.206 877 L C 2.578 179.574 176.870 0.210 0.000 1.087 877 L CA 0.853 55.863 54.840 0.282 0.000 0.767 877 L CB -0.238 42.039 42.059 0.363 0.000 0.917 877 L HN 0.167 nan 8.230 nan 0.000 0.441 878 K N 0.102 120.580 120.400 0.130 0.000 2.147 878 K HA -0.258 4.062 4.320 0.000 0.000 0.205 878 K C 2.139 178.777 176.600 0.062 0.000 1.049 878 K CA 1.390 57.729 56.287 0.088 0.000 0.936 878 K CB 0.159 32.677 32.500 0.030 0.000 0.722 878 K HN 0.083 nan 8.250 nan 0.000 0.446 879 Q N 0.262 120.084 119.800 0.037 0.000 2.212 879 Q HA -0.012 4.328 4.340 0.000 0.000 0.199 879 Q C 1.745 177.690 176.000 -0.092 0.000 0.950 879 Q CA 0.645 56.446 55.803 -0.002 0.000 0.863 879 Q CB 0.009 28.725 28.738 -0.037 0.000 0.944 879 Q HN 0.325 nan 8.270 nan 0.000 0.465 880 L N -0.582 120.519 121.223 -0.203 0.000 2.217 880 L HA -0.001 4.339 4.340 0.000 0.000 0.211 880 L C 1.083 177.964 176.870 0.018 0.000 1.107 880 L CA 1.332 55.942 54.840 -0.383 0.000 0.783 880 L CB -0.122 41.722 42.059 -0.359 0.000 0.919 880 L HN 0.242 nan 8.230 nan 0.000 0.442 881 L N -1.252 120.032 121.223 0.101 0.000 2.558 881 L HA 0.141 4.481 4.340 0.000 0.000 0.225 881 L C 2.281 179.086 176.870 -0.108 0.000 1.128 881 L CA 0.887 55.796 54.840 0.114 0.000 0.868 881 L CB -0.649 41.502 42.059 0.152 0.000 1.006 881 L HN 0.143 nan 8.230 nan 0.000 0.454 882 S N -1.199 114.459 115.700 -0.070 0.000 2.428 882 S HA -0.089 4.381 4.470 0.000 0.000 0.230 882 S C 1.082 175.551 174.600 -0.218 0.000 1.014 882 S CA 0.475 58.557 58.200 -0.196 0.000 0.957 882 S CB -0.181 63.039 63.200 0.034 0.000 0.784 882 S HN 0.399 nan 8.310 nan 0.000 0.499 883 D N 0.919 121.334 120.400 0.025 0.000 2.600 883 D HA 0.027 4.667 4.640 0.000 0.000 0.226 883 D C 0.522 176.854 176.300 0.054 0.000 1.119 883 D CA -0.033 54.008 54.000 0.068 0.000 1.051 883 D CB -0.101 40.759 40.800 0.099 0.000 1.106 883 D HN 0.394 nan 8.370 nan 0.000 0.491 884 H N 0.636 119.769 119.070 0.105 0.000 2.390 884 H HA -0.132 4.424 4.556 0.000 0.000 0.298 884 H C 1.683 177.043 175.328 0.054 0.000 1.106 884 H CA 1.302 57.398 56.048 0.081 0.000 1.297 884 H CB 0.416 30.212 29.762 0.055 0.000 1.375 884 H HN 0.297 nan 8.280 nan 0.000 0.509 885 E N 0.231 120.524 120.200 0.154 0.000 2.153 885 E HA -0.132 4.218 4.350 0.000 0.000 0.194 885 E C 2.231 178.852 176.600 0.035 0.000 0.988 885 E CA 0.494 56.935 56.400 0.069 0.000 0.811 885 E CB -0.325 29.395 29.700 0.034 0.000 0.746 885 E HN 0.332 nan 8.360 nan 0.000 0.466 886 L N 1.171 122.428 121.223 0.057 0.000 2.072 886 L HA -0.120 4.220 4.340 0.000 0.000 0.205 886 L C 2.347 179.231 176.870 0.024 0.000 1.079 886 L CA 2.240 57.107 54.840 0.045 0.000 0.752 886 L CB -1.051 41.096 42.059 0.146 0.000 0.906 886 L HN 0.176 nan 8.230 nan 0.000 0.436 887 T N -3.248 111.359 114.554 0.089 0.000 2.867 887 T HA -0.218 4.132 4.350 0.000 0.000 0.268 887 T C 1.963 176.696 174.700 0.053 0.000 1.057 887 T CA 1.431 63.576 62.100 0.075 0.000 1.136 887 T CB -0.395 68.541 68.868 0.113 0.000 0.874 887 T HN 0.328 nan 8.240 nan 0.000 0.466 888 K N 1.295 121.714 120.400 0.032 0.000 2.155 888 K HA 0.018 4.338 4.320 0.000 0.000 0.203 888 K C 2.449 179.013 176.600 -0.059 0.000 1.052 888 K CA 0.912 57.200 56.287 0.002 0.000 0.948 888 K CB -0.092 32.421 32.500 0.021 0.000 0.728 888 K HN 0.351 nan 8.250 nan 0.000 0.448 889 K N 0.303 120.650 120.400 -0.087 0.000 2.288 889 K HA -0.044 4.276 4.320 0.000 0.000 0.201 889 K C 1.614 178.087 176.600 -0.211 0.000 1.048 889 K CA 0.709 56.916 56.287 -0.134 0.000 0.956 889 K CB 0.242 32.659 32.500 -0.138 0.000 0.746 889 K HN 0.154 nan 8.250 nan 0.000 0.461 890 L N -0.480 120.566 121.223 -0.295 0.000 2.500 890 L HA 0.163 4.503 4.340 0.000 0.000 0.219 890 L C -0.027 176.424 176.870 -0.698 0.000 1.057 890 L CA -0.224 54.305 54.840 -0.519 0.000 0.854 890 L CB 0.326 41.962 42.059 -0.706 0.000 1.078 890 L HN -0.025 nan 8.230 nan 0.000 0.480 891 Y N 0.593 120.767 120.300 -0.210 0.000 2.387 891 Y HA 0.339 4.889 4.550 0.000 0.000 0.336 891 Y C 0.373 176.115 175.900 -0.263 0.000 1.067 891 Y CA -1.252 56.697 58.100 -0.252 0.000 1.114 891 Y CB 0.868 39.163 38.460 -0.274 0.000 1.208 891 Y HN -0.154 nan 8.280 nan 0.000 0.458 892 K N 2.394 122.663 120.400 -0.219 0.000 2.187 892 K HA 0.099 4.419 4.320 0.000 0.000 0.247 892 K C 1.236 177.664 176.600 -0.288 0.000 1.019 892 K CA -0.490 55.608 56.287 -0.314 0.000 0.893 892 K CB 0.573 32.722 32.500 -0.585 0.000 1.025 892 K HN 0.758 nan 8.250 nan 0.000 0.500 893 R N 0.893 121.287 120.500 -0.177 0.000 2.189 893 R HA -0.147 4.193 4.340 0.000 0.000 0.223 893 R C 1.426 177.684 176.300 -0.070 0.000 1.092 893 R CA 1.519 57.573 56.100 -0.076 0.000 0.989 893 R CB -0.468 29.845 30.300 0.021 0.000 0.876 893 R HN 0.790 nan 8.270 nan 0.000 0.457 894 Y N -0.396 119.842 120.300 -0.104 0.000 2.466 894 Y HA 0.551 5.101 4.550 0.000 0.000 0.272 894 Y C 0.865 176.632 175.900 -0.221 0.000 1.169 894 Y CA -0.972 57.005 58.100 -0.205 0.000 1.285 894 Y CB -0.281 38.076 38.460 -0.172 0.000 1.078 894 Y HN 0.091 nan 8.280 nan 0.000 0.523 895 A N 0.812 123.422 122.820 -0.350 0.000 2.409 895 A HA 0.100 4.420 4.320 0.000 0.000 0.246 895 A C 0.995 178.554 177.584 -0.041 0.000 1.099 895 A CA 0.068 51.997 52.037 -0.179 0.000 0.789 895 A CB -0.297 18.538 19.000 -0.274 0.000 1.053 895 A HN 0.598 nan 8.150 nan 0.000 0.503 896 F N -0.087 119.810 119.950 -0.087 0.000 2.118 896 F HA -0.037 4.490 4.527 0.000 0.000 0.293 896 F C 1.805 177.386 175.800 -0.364 0.000 1.102 896 F CA 1.800 59.623 58.000 -0.295 0.000 1.247 896 F CB -0.198 38.552 39.000 -0.417 0.000 1.017 896 F HN 0.428 nan 8.300 nan 0.000 0.475 897 L N 0.031 121.092 121.223 -0.271 0.000 2.083 897 L HA -0.196 4.144 4.340 0.000 0.000 0.209 897 L C 2.509 179.217 176.870 -0.269 0.000 1.083 897 L CA 1.496 56.097 54.840 -0.399 0.000 0.752 897 L CB -0.598 40.956 42.059 -0.842 0.000 0.899 897 L HN 0.091 nan 8.230 nan 0.000 0.433 898 R N -0.514 119.835 120.500 -0.253 0.000 2.193 898 R HA -0.038 4.302 4.340 0.000 0.000 0.213 898 R C 0.963 177.192 176.300 -0.119 0.000 1.055 898 R CA 0.224 56.245 56.100 -0.132 0.000 0.995 898 R CB -0.047 30.186 30.300 -0.111 0.000 0.893 898 R HN 0.329 nan 8.270 nan 0.000 0.459 899 C N 2.280 121.452 119.300 -0.212 0.000 2.305 899 C HA 0.130 4.590 4.460 0.000 0.000 0.378 899 C C 0.805 175.694 174.990 -0.168 0.000 1.047 899 C CA -1.059 57.832 59.018 -0.211 0.000 1.385 899 C CB -0.861 26.637 27.740 -0.404 0.000 1.825 899 C HN 0.484 nan 8.230 nan 0.000 0.508 900 D N 1.910 122.280 120.400 -0.049 0.000 2.309 900 D HA -0.125 4.515 4.640 0.000 0.000 0.212 900 D C 1.521 177.826 176.300 0.009 0.000 0.968 900 D CA 1.374 55.373 54.000 -0.001 0.000 0.882 900 D CB 0.071 40.903 40.800 0.054 0.000 0.918 900 D HN 0.763 nan 8.370 nan 0.000 0.503 901 D N 0.332 120.735 120.400 0.005 0.000 2.213 901 D HA -0.093 4.547 4.640 0.000 0.000 0.205 901 D C 1.727 178.023 176.300 -0.008 0.000 0.961 901 D CA 0.717 54.729 54.000 0.021 0.000 0.853 901 D CB 0.359 41.189 40.800 0.051 0.000 0.967 901 D HN 0.023 nan 8.370 nan 0.000 0.496 902 E N 0.462 120.603 120.200 -0.098 0.000 2.250 902 E HA -0.095 4.255 4.350 0.000 0.000 0.192 902 E C 1.888 178.399 176.600 -0.148 0.000 0.986 902 E CA 0.354 56.648 56.400 -0.177 0.000 0.849 902 E CB -0.344 29.091 29.700 -0.441 0.000 0.797 902 E HN 0.407 nan 8.360 nan 0.000 0.482 903 K N 1.819 122.119 120.400 -0.168 0.000 2.097 903 K HA -0.172 4.148 4.320 0.000 0.000 0.205 903 K C 1.995 178.754 176.600 0.265 0.000 1.050 903 K CA 1.362 57.705 56.287 0.094 0.000 0.938 903 K CB 0.018 32.536 32.500 0.031 0.000 0.718 903 K HN 0.038 nan 8.250 nan 0.000 0.442 904 E N 0.472 120.772 120.200 0.167 0.000 2.150 904 E HA -0.190 4.160 4.350 0.000 0.000 0.193 904 E C 1.984 178.743 176.600 0.265 0.000 0.985 904 E CA 1.066 57.598 56.400 0.220 0.000 0.814 904 E CB 0.156 29.966 29.700 0.183 0.000 0.752 904 E HN 0.479 nan 8.360 nan 0.000 0.466 905 Q N -0.503 119.399 119.800 0.169 0.000 2.137 905 Q HA -0.127 4.213 4.340 0.000 0.000 0.198 905 Q C 2.052 178.134 176.000 0.136 0.000 0.960 905 Q CA 0.988 56.827 55.803 0.059 0.000 0.847 905 Q CB -0.217 28.538 28.738 0.028 0.000 0.915 905 Q HN 0.314 nan 8.270 nan 0.000 0.448 906 F N 1.706 121.766 119.950 0.183 0.000 2.126 906 F HA -0.203 4.324 4.527 0.000 0.000 0.299 906 F C 1.647 177.589 175.800 0.236 0.000 1.096 906 F CA 1.358 59.539 58.000 0.302 0.000 1.255 906 F CB -0.236 39.029 39.000 0.441 0.000 0.997 906 F HN -0.063 nan 8.300 nan 0.000 0.479 907 L N -1.369 119.806 121.223 -0.079 0.000 2.044 907 L HA -0.199 4.141 4.340 0.000 0.000 0.205 907 L C 2.350 179.107 176.870 -0.188 0.000 1.075 907 L CA 1.187 55.862 54.840 -0.274 0.000 0.747 907 L CB -1.133 40.864 42.059 -0.104 0.000 0.903 907 L HN 0.066 nan 8.230 nan 0.000 0.435 908 Y N -0.298 119.921 120.300 -0.136 0.000 2.384 908 Y HA -0.279 4.271 4.550 0.000 0.000 0.289 908 Y C 2.487 178.290 175.900 -0.161 0.000 1.152 908 Y CA 1.578 59.585 58.100 -0.155 0.000 1.258 908 Y CB -0.375 37.972 38.460 -0.190 0.000 0.979 908 Y HN 0.266 nan 8.280 nan 0.000 0.549 909 H N -1.603 117.489 119.070 0.036 0.000 2.415 909 H HA -0.002 4.554 4.556 0.000 0.000 0.297 909 H C 1.929 177.122 175.328 -0.226 0.000 1.048 909 H CA 0.719 56.732 56.048 -0.058 0.000 1.365 909 H CB -0.044 29.714 29.762 -0.006 0.000 1.421 909 H HN 0.192 nan 8.280 nan 0.000 0.533 910 L N 0.482 121.630 121.223 -0.125 0.000 2.450 910 L HA -0.145 4.195 4.340 0.000 0.000 0.224 910 L C 1.729 178.526 176.870 -0.121 0.000 1.149 910 L CA 0.128 54.867 54.840 -0.168 0.000 0.816 910 L CB -0.069 41.903 42.059 -0.144 0.000 0.932 910 L HN 0.275 nan 8.230 nan 0.000 0.449 911 L N -0.787 120.364 121.223 -0.119 0.000 2.362 911 L HA -0.109 4.231 4.340 0.000 0.000 0.219 911 L C 2.432 179.269 176.870 -0.056 0.000 1.134 911 L CA 1.307 56.094 54.840 -0.087 0.000 0.807 911 L CB -0.311 41.685 42.059 -0.106 0.000 0.927 911 L HN 0.122 nan 8.230 nan 0.000 0.447 912 S N -1.019 114.608 115.700 -0.123 0.000 2.428 912 S HA -0.052 4.418 4.470 0.000 0.000 0.230 912 S C 1.488 176.083 174.600 -0.008 0.000 1.014 912 S CA 0.569 58.707 58.200 -0.103 0.000 0.957 912 S CB -0.394 62.694 63.200 -0.187 0.000 0.784 912 S HN 0.350 nan 8.310 nan 0.000 0.499 913 F N 2.391 122.357 119.950 0.026 0.000 2.722 913 F HA 0.078 4.605 4.527 0.000 0.000 0.298 913 F C 1.498 177.325 175.800 0.045 0.000 1.175 913 F CA 0.011 58.043 58.000 0.053 0.000 1.462 913 F CB -0.941 38.005 39.000 -0.090 0.000 1.111 913 F HN 0.152 nan 8.300 nan 0.000 0.592 914 N N -0.400 118.394 118.700 0.157 0.000 2.353 914 N HA 0.110 4.850 4.740 0.000 0.000 0.185 914 N C 1.584 177.123 175.510 0.050 0.000 1.098 914 N CA 0.668 53.755 53.050 0.063 0.000 0.872 914 N CB -0.008 38.481 38.487 0.004 0.000 0.970 914 N HN 0.122 nan 8.380 nan 0.000 0.467 915 A N -0.342 122.523 122.820 0.075 0.000 2.345 915 A HA 0.394 4.714 4.320 0.000 0.000 0.225 915 A C 0.040 177.657 177.584 0.054 0.000 1.243 915 A CA -0.000 52.065 52.037 0.047 0.000 0.875 915 A CB 0.404 19.427 19.000 0.038 0.000 0.929 915 A HN 0.003 nan 8.150 nan 0.000 0.502 916 V N 0.140 120.108 119.914 0.091 0.000 2.971 916 V HA 0.272 4.392 4.120 0.000 0.000 0.309 916 V C -1.728 174.369 176.094 0.005 0.000 1.130 916 V CA -0.944 61.377 62.300 0.035 0.000 0.964 916 V CB 2.320 34.161 31.823 0.030 0.000 1.029 916 V HN 0.295 nan 8.190 nan 0.000 0.427 917 D N 2.963 123.320 120.400 -0.071 0.000 2.347 917 D HA 0.447 5.087 4.640 0.000 0.000 0.235 917 D C -0.980 175.171 176.300 -0.248 0.000 1.149 917 D CA 0.334 54.268 54.000 -0.110 0.000 0.850 917 D CB 0.445 41.287 40.800 0.071 0.000 1.061 917 D HN 0.346 nan 8.370 nan 0.000 0.487 918 Y N 1.077 121.187 120.300 -0.316 0.000 2.387 918 Y HA 0.429 4.979 4.550 0.000 0.000 0.330 918 Y C 0.275 175.828 175.900 -0.578 0.000 1.133 918 Y CA -0.823 57.129 58.100 -0.246 0.000 1.152 918 Y CB 1.032 39.378 38.460 -0.189 0.000 1.215 918 Y HN 0.311 nan 8.280 nan 0.000 0.466 919 F N 0.009 120.063 119.950 0.172 0.000 2.733 919 F HA 0.185 4.712 4.527 0.000 0.000 0.380 919 F C 0.929 176.785 175.800 0.093 0.000 1.324 919 F CA -0.846 57.215 58.000 0.101 0.000 1.178 919 F CB -0.154 38.873 39.000 0.044 0.000 1.093 919 F HN 0.596 nan 8.300 nan 0.000 0.512 920 C N -1.746 117.680 119.300 0.210 0.000 2.472 920 C HA -0.046 4.414 4.460 0.000 0.000 0.278 920 C C 2.329 177.396 174.990 0.128 0.000 1.447 920 C CA 0.073 59.173 59.018 0.137 0.000 1.773 920 C CB -1.841 25.952 27.740 0.088 0.000 1.793 920 C HN 0.636 nan 8.230 nan 0.000 0.544 921 F N 2.216 122.198 119.950 0.052 0.000 2.243 921 F HA 0.069 4.596 4.527 0.000 0.000 0.287 921 F C 2.467 178.375 175.800 0.181 0.000 1.067 921 F CA 1.573 59.659 58.000 0.143 0.000 1.304 921 F CB -0.561 38.477 39.000 0.063 0.000 1.087 921 F HN -0.013 nan 8.300 nan 0.000 0.513 922 T N 1.110 115.727 114.554 0.106 0.000 2.684 922 T HA -0.181 4.169 4.350 0.000 0.000 0.267 922 T C 1.465 176.139 174.700 -0.043 0.000 1.036 922 T CA 1.703 63.811 62.100 0.013 0.000 1.148 922 T CB -0.388 68.577 68.868 0.162 0.000 0.863 922 T HN 0.223 nan 8.240 nan 0.000 0.436 923 N N 0.643 119.346 118.700 0.005 0.000 2.521 923 N HA 0.036 4.776 4.740 0.000 0.000 0.188 923 N C 1.487 176.915 175.510 -0.136 0.000 1.146 923 N CA 0.237 53.263 53.050 -0.040 0.000 0.893 923 N CB 0.333 38.827 38.487 0.012 0.000 0.975 923 N HN 0.260 nan 8.380 nan 0.000 0.451 924 V N -0.984 118.775 119.914 -0.258 0.000 3.307 924 V HA 0.231 4.351 4.120 0.000 0.000 0.244 924 V C -0.314 175.415 176.094 -0.608 0.000 1.196 924 V CA 0.292 62.320 62.300 -0.453 0.000 1.132 924 V CB 0.015 31.466 31.823 -0.621 0.000 0.875 924 V HN -0.096 nan 8.190 nan 0.000 0.468 925 F N 2.196 121.966 119.950 -0.301 0.000 2.560 925 F HA 0.314 4.841 4.527 0.000 0.000 0.338 925 F C 1.785 177.445 175.800 -0.233 0.000 1.201 925 F CA 0.306 58.120 58.000 -0.310 0.000 1.291 925 F CB 0.077 38.760 39.000 -0.529 0.000 1.627 925 F HN 0.182 nan 8.300 nan 0.000 0.588 926 T N -4.369 110.153 114.554 -0.054 0.000 3.163 926 T HA -0.100 4.250 4.350 0.000 0.000 0.260 926 T C 1.461 176.159 174.700 -0.004 0.000 1.156 926 T CA 1.241 63.321 62.100 -0.034 0.000 1.072 926 T CB -0.406 68.432 68.868 -0.050 0.000 0.937 926 T HN 0.440 nan 8.240 nan 0.000 0.528 927 T N -0.315 114.249 114.554 0.017 0.000 3.145 927 T HA 0.434 4.784 4.350 0.000 0.000 0.281 927 T C 0.535 175.250 174.700 0.025 0.000 1.003 927 T CA -0.841 61.270 62.100 0.020 0.000 0.901 927 T CB -0.766 68.112 68.868 0.018 0.000 1.112 927 T HN 0.670 nan 8.240 nan 0.000 0.535 928 I N -0.467 120.118 120.570 0.025 0.000 2.834 928 I HA 0.582 4.752 4.170 0.000 0.000 0.305 928 I C -0.225 175.898 176.117 0.011 0.000 1.008 928 I CA -1.423 59.883 61.300 0.009 0.000 1.273 928 I CB 0.752 38.737 38.000 -0.023 0.000 1.432 928 I HN -0.088 nan 8.210 nan 0.000 0.557 929 L N 4.561 125.786 121.223 0.004 0.000 2.305 929 L HA 0.488 4.828 4.340 0.000 0.000 0.281 929 L C -0.260 176.606 176.870 -0.007 0.000 1.085 929 L CA -0.123 54.715 54.840 -0.003 0.000 0.813 929 L CB 0.966 43.014 42.059 -0.017 0.000 1.157 929 L HN 0.525 nan 8.230 nan 0.000 0.436 930 I N 4.962 125.528 120.570 -0.006 0.000 2.582 930 I HA 0.386 4.556 4.170 0.000 0.000 0.292 930 I C -2.425 173.598 176.117 -0.157 0.000 1.066 930 I CA -1.893 59.353 61.300 -0.091 0.000 1.053 930 I CB 3.030 40.959 38.000 -0.120 0.000 1.241 930 I HN 0.364 nan 8.210 nan 0.000 0.421 931 P HA 0.268 nan 4.420 nan 0.000 0.297 931 P C -1.693 175.482 177.300 -0.208 0.000 1.319 931 P CA -0.400 62.626 63.100 -0.123 0.000 0.810 931 P CB 0.640 32.309 31.700 -0.052 0.000 0.947 932 Y N 1.076 121.435 120.300 0.098 0.000 2.331 932 Y HA 0.261 4.811 4.550 0.000 0.000 0.338 932 Y C 1.156 177.213 175.900 0.262 0.000 0.976 932 Y CA -0.376 57.836 58.100 0.186 0.000 1.137 932 Y CB 0.862 39.437 38.460 0.191 0.000 1.172 932 Y HN 0.454 nan 8.280 nan 0.000 0.478 933 H N 4.959 124.166 119.070 0.229 0.000 2.782 933 H HA 0.420 4.976 4.556 0.000 0.000 0.285 933 H C -0.756 174.692 175.328 0.199 0.000 1.093 933 H CA -0.429 55.729 56.048 0.184 0.000 1.410 933 H CB 0.364 30.203 29.762 0.129 0.000 1.439 933 H HN 0.639 nan 8.280 nan 0.000 0.469 934 I N 5.792 126.500 120.570 0.231 0.000 2.428 934 I HA 0.144 4.314 4.170 0.000 0.000 0.296 934 I C -0.737 175.364 176.117 -0.026 0.000 0.985 934 I CA -0.764 60.589 61.300 0.088 0.000 1.260 934 I CB 1.684 39.749 38.000 0.108 0.000 1.389 934 I HN 0.432 nan 8.210 nan 0.000 0.484 935 L N 7.500 128.689 121.223 -0.056 0.000 2.504 935 L HA 0.523 4.863 4.340 0.000 0.000 0.265 935 L C -0.998 175.847 176.870 -0.042 0.000 0.975 935 L CA 0.017 54.818 54.840 -0.065 0.000 0.864 935 L CB 1.114 43.092 42.059 -0.136 0.000 1.212 935 L HN 0.423 nan 8.230 nan 0.000 0.416 936 I N 5.411 125.962 120.570 -0.030 0.000 2.352 936 I HA 0.295 4.465 4.170 0.000 0.000 0.290 936 I C -0.361 175.699 176.117 -0.095 0.000 1.036 936 I CA -0.601 60.647 61.300 -0.086 0.000 1.336 936 I CB 1.401 39.367 38.000 -0.057 0.000 1.407 936 I HN 0.257 nan 8.210 nan 0.000 0.497 937 V N 9.289 129.114 119.914 -0.147 0.000 2.277 937 V HA 0.272 4.392 4.120 0.000 0.000 0.269 937 V C -1.973 173.991 176.094 -0.217 0.000 1.036 937 V CA -1.534 60.685 62.300 -0.134 0.000 0.821 937 V CB 0.827 32.586 31.823 -0.105 0.000 1.052 937 V HN 0.590 nan 8.190 nan 0.000 0.462 938 P HA 0.159 nan 4.420 nan 0.000 0.282 938 P C -0.128 177.060 177.300 -0.186 0.000 1.249 938 P CA -0.311 62.631 63.100 -0.263 0.000 0.806 938 P CB 1.440 33.080 31.700 -0.100 0.000 0.984 939 S N 2.710 118.266 115.700 -0.239 0.000 2.503 939 S HA 0.051 4.521 4.470 0.000 0.000 0.317 939 S C 0.307 174.853 174.600 -0.089 0.000 1.162 939 S CA -0.386 57.708 58.200 -0.176 0.000 1.124 939 S CB -1.089 61.964 63.200 -0.246 0.000 1.207 939 S HN 0.183 nan 8.310 nan 0.000 0.538 940 K N 3.844 124.215 120.400 -0.047 0.000 2.294 940 K HA 0.320 4.640 4.320 0.000 0.000 0.288 940 K C 0.073 176.677 176.600 0.005 0.000 1.072 940 K CA -0.074 56.211 56.287 -0.003 0.000 0.960 940 K CB 0.232 32.735 32.500 0.005 0.000 1.043 940 K HN 0.595 nan 8.250 nan 0.000 0.455 941 K N 2.637 123.053 120.400 0.027 0.000 2.571 941 K HA 0.183 4.503 4.320 0.000 0.000 0.252 941 K C -1.306 175.334 176.600 0.068 0.000 0.956 941 K CA -0.872 55.438 56.287 0.039 0.000 0.822 941 K CB 1.148 33.670 32.500 0.036 0.000 1.286 941 K HN 0.429 nan 8.250 nan 0.000 0.439 942 L N 2.435 123.692 121.223 0.057 0.000 2.536 942 L HA 0.590 4.930 4.340 0.000 0.000 0.282 942 L C 0.678 177.590 176.870 0.070 0.000 1.147 942 L CA 0.711 55.586 54.840 0.058 0.000 0.936 942 L CB 0.410 42.491 42.059 0.036 0.000 1.279 942 L HN 0.929 nan 8.230 nan 0.000 0.461 943 G N 2.542 111.405 108.800 0.105 0.000 2.378 943 G HA2 0.548 4.508 3.960 0.000 0.000 0.291 943 G HA3 0.548 4.508 3.960 0.000 0.000 0.291 943 G C -0.039 174.955 174.900 0.156 0.000 1.421 943 G CA 0.223 45.401 45.100 0.129 0.000 1.154 943 G HN 1.058 nan 8.290 nan 0.000 0.590 944 G N 0.648 109.454 108.800 0.010 0.000 2.680 944 G HA2 0.334 4.294 3.960 0.000 0.000 0.222 944 G HA3 0.334 4.294 3.960 0.000 0.000 0.222 944 G C 0.140 174.730 174.900 -0.517 0.000 1.460 944 G CA 0.632 45.620 45.100 -0.186 0.000 1.275 944 G HN 2.078 nan 8.290 nan 0.000 0.506 945 S N -1.129 114.088 115.700 -0.804 0.000 2.636 945 S HA 0.579 5.049 4.470 0.000 0.000 0.266 945 S C -0.764 173.746 174.600 -0.149 0.000 1.147 945 S CA -0.107 57.754 58.200 -0.564 0.000 0.815 945 S CB 0.861 63.602 63.200 -0.766 0.000 1.119 945 S HN 0.831 nan 8.310 nan 0.000 0.470 946 M N 2.678 122.271 119.600 -0.012 0.000 2.248 946 M HA 0.253 4.733 4.480 0.000 0.000 0.345 946 M C -0.166 176.281 176.300 0.244 0.000 1.243 946 M CA -0.114 55.264 55.300 0.129 0.000 1.090 946 M CB -0.837 31.799 32.600 0.059 0.000 1.683 946 M HN 0.664 nan 8.290 nan 0.000 0.450 947 F N 3.492 123.519 119.950 0.128 0.000 2.571 947 F HA 0.066 4.593 4.527 0.000 0.000 0.384 947 F C 1.308 177.044 175.800 -0.106 0.000 1.058 947 F CA 0.463 58.459 58.000 -0.006 0.000 1.200 947 F CB 0.479 39.344 39.000 -0.226 0.000 1.077 947 F HN 0.759 nan 8.300 nan 0.000 0.558 948 T N 2.751 116.850 114.554 -0.757 0.000 2.990 948 T HA 0.508 4.858 4.350 0.000 0.000 0.249 948 T C 0.949 175.151 174.700 -0.831 0.000 1.039 948 T CA 0.306 62.036 62.100 -0.616 0.000 1.036 948 T CB -0.334 68.360 68.868 -0.290 0.000 0.994 948 T HN 0.640 nan 8.240 nan 0.000 0.489 949 A N 2.290 124.272 122.820 -1.396 0.000 2.346 949 A HA 0.484 4.804 4.320 0.000 0.000 0.255 949 A C 0.143 177.361 177.584 -0.610 0.000 1.113 949 A CA -0.557 50.942 52.037 -0.896 0.000 0.798 949 A CB 0.001 18.530 19.000 -0.786 0.000 1.073 949 A HN 0.469 nan 8.150 nan 0.000 0.502 950 N N 1.396 119.997 118.700 -0.164 0.000 2.444 950 N HA 0.403 5.143 4.740 0.000 0.000 0.262 950 N C -2.873 172.743 175.510 0.177 0.000 0.974 950 N CA -0.949 52.098 53.050 -0.005 0.000 0.933 950 N CB 1.766 40.270 38.487 0.028 0.000 1.137 950 N HN 0.431 nan 8.380 nan 0.000 0.498 951 P HA 0.395 nan 4.420 nan 0.000 0.285 951 P C -0.592 176.844 177.300 0.226 0.000 1.269 951 P CA -0.533 62.680 63.100 0.188 0.000 0.844 951 P CB 1.343 33.067 31.700 0.039 0.000 1.094 952 W N 2.990 124.367 121.300 0.129 0.000 3.031 952 W HA 0.777 5.437 4.660 0.000 0.000 0.337 952 W C -2.243 174.302 176.519 0.044 0.000 1.187 952 W CA -1.230 56.147 57.345 0.053 0.000 1.166 952 W CB 0.938 30.411 29.460 0.021 0.000 1.437 952 W HN 0.283 nan 8.180 nan 0.000 0.551 953 I N 1.882 122.504 120.570 0.087 0.000 2.994 953 I HA 0.636 4.806 4.170 0.000 0.000 0.306 953 I C -1.585 174.579 176.117 0.078 0.000 1.195 953 I CA -0.516 60.706 61.300 -0.131 0.000 1.001 953 I CB 2.402 40.319 38.000 -0.137 0.000 1.244 953 I HN 0.677 nan 8.210 nan 0.000 0.437 954 C N 7.721 127.012 119.300 -0.016 0.000 2.620 954 C HA 0.571 5.031 4.460 0.000 0.000 0.356 954 C C -0.760 174.168 174.990 -0.104 0.000 1.082 954 C CA -0.526 58.515 59.018 0.038 0.000 1.293 954 C CB -0.205 27.669 27.740 0.224 0.000 1.836 954 C HN 0.574 nan 8.230 nan 0.000 0.453 955 I N 5.966 126.455 120.570 -0.135 0.000 2.353 955 I HA 0.530 4.700 4.170 0.000 0.000 0.293 955 I C 0.399 176.416 176.117 -0.168 0.000 0.992 955 I CA 0.380 61.548 61.300 -0.219 0.000 1.268 955 I CB 1.576 39.435 38.000 -0.236 0.000 1.387 955 I HN 0.778 nan 8.210 nan 0.000 0.478 956 S N 3.691 119.293 115.700 -0.163 0.000 2.547 956 S HA 0.889 5.359 4.470 0.000 0.000 0.281 956 S C -0.435 174.101 174.600 -0.108 0.000 1.118 956 S CA -0.670 57.462 58.200 -0.112 0.000 0.947 956 S CB 2.025 65.186 63.200 -0.065 0.000 1.053 956 S HN 0.827 nan 8.310 nan 0.000 0.482 957 G N 0.927 109.663 108.800 -0.107 0.000 3.251 957 G HA2 0.534 4.494 3.960 0.000 0.000 0.248 957 G HA3 0.534 4.494 3.960 0.000 0.000 0.248 957 G C 0.025 174.883 174.900 -0.069 0.000 1.320 957 G CA -0.790 44.250 45.100 -0.100 0.000 0.982 957 G HN 0.686 nan 8.290 nan 0.000 0.575 958 E N -0.760 119.400 120.200 -0.066 0.000 2.107 958 E HA -0.044 4.306 4.350 0.000 0.000 0.191 958 E C 2.152 178.725 176.600 -0.045 0.000 0.982 958 E CA 0.611 56.977 56.400 -0.057 0.000 0.809 958 E CB -0.027 29.631 29.700 -0.070 0.000 0.756 958 E HN 0.138 nan 8.360 nan 0.000 0.459 959 L N -0.427 120.773 121.223 -0.038 0.000 2.554 959 L HA 0.174 4.514 4.340 0.000 0.000 0.226 959 L C 0.962 177.817 176.870 -0.026 0.000 1.137 959 L CA 0.717 55.540 54.840 -0.028 0.000 0.863 959 L CB 0.372 42.421 42.059 -0.017 0.000 0.985 959 L HN 0.140 nan 8.230 nan 0.000 0.451 960 G N -0.891 107.888 108.800 -0.034 0.000 2.360 960 G HA2 0.422 4.382 3.960 0.000 0.000 0.276 960 G HA3 0.422 4.382 3.960 0.000 0.000 0.276 960 G C -1.604 173.269 174.900 -0.047 0.000 1.256 960 G CA -0.181 44.900 45.100 -0.031 0.000 0.890 960 G HN 0.114 nan 8.290 nan 0.000 0.486 961 E N -1.567 118.611 120.200 -0.038 0.000 2.423 961 E HA 0.597 4.947 4.350 0.000 0.000 0.280 961 E C -0.533 176.061 176.600 -0.009 0.000 1.030 961 E CA -0.633 55.740 56.400 -0.045 0.000 0.812 961 E CB 1.390 31.070 29.700 -0.033 0.000 1.313 961 E HN 0.864 nan 8.360 nan 0.000 0.456 962 T N -1.246 113.311 114.554 0.004 0.000 2.874 962 T HA 0.304 4.654 4.350 0.000 0.000 0.281 962 T C 0.384 175.115 174.700 0.052 0.000 0.994 962 T CA -0.697 61.457 62.100 0.089 0.000 1.015 962 T CB 1.089 70.047 68.868 0.151 0.000 1.028 962 T HN 0.513 nan 8.240 nan 0.000 0.523 963 Q N -0.016 119.825 119.800 0.068 0.000 2.544 963 Q HA 0.309 4.649 4.340 0.000 0.000 0.194 963 Q C 0.084 176.078 176.000 -0.010 0.000 1.104 963 Q CA -0.837 54.978 55.803 0.020 0.000 1.131 963 Q CB 0.278 29.034 28.738 0.030 0.000 1.210 963 Q HN 0.509 nan 8.270 nan 0.000 0.639 964 I N 1.743 122.299 120.570 -0.023 0.000 2.452 964 I HA 0.074 4.244 4.170 0.000 0.000 0.287 964 I C -0.168 175.948 176.117 -0.002 0.000 1.079 964 I CA 0.285 61.594 61.300 0.015 0.000 1.387 964 I CB -0.212 37.717 38.000 -0.117 0.000 1.404 964 I HN 0.401 nan 8.210 nan 0.000 0.522 965 L N 6.446 127.679 121.223 0.017 0.000 2.264 965 L HA 0.251 4.591 4.340 0.000 0.000 0.289 965 L C 0.230 177.134 176.870 0.057 0.000 1.044 965 L CA -0.578 54.210 54.840 -0.087 0.000 0.807 965 L CB 0.952 42.850 42.059 -0.268 0.000 1.192 965 L HN 0.484 nan 8.230 nan 0.000 0.425 966 Q N 3.813 123.633 119.800 0.034 0.000 2.377 966 Q HA 0.406 4.746 4.340 0.000 0.000 0.249 966 Q C -0.707 175.331 176.000 0.063 0.000 1.005 966 Q CA 0.059 55.916 55.803 0.090 0.000 0.912 966 Q CB 0.694 29.467 28.738 0.058 0.000 1.223 966 Q HN 0.427 nan 8.270 nan 0.000 0.459 967 I N 6.577 127.202 120.570 0.091 0.000 2.416 967 I HA 0.256 4.426 4.170 0.000 0.000 0.288 967 I C -1.877 174.281 176.117 0.067 0.000 1.051 967 I CA -2.097 59.247 61.300 0.074 0.000 1.375 967 I CB 1.022 39.079 38.000 0.095 0.000 1.407 967 I HN 0.470 nan 8.210 nan 0.000 0.516 968 P HA 0.116 nan 4.420 nan 0.000 0.268 968 P C -0.508 176.816 177.300 0.040 0.000 1.205 968 P CA -0.281 62.844 63.100 0.042 0.000 0.771 968 P CB 0.441 32.168 31.700 0.044 0.000 0.858 969 R N 3.515 124.023 120.500 0.014 0.000 2.538 969 R HA 0.017 4.357 4.340 0.000 0.000 0.282 969 R C 0.283 176.597 176.300 0.024 0.000 1.009 969 R CA 0.443 56.541 56.100 -0.003 0.000 1.063 969 R CB -0.354 29.916 30.300 -0.051 0.000 0.945 969 R HN 0.554 nan 8.270 nan 0.000 0.414 970 N N 0.384 119.115 118.700 0.051 0.000 2.861 970 N HA -0.146 4.594 4.740 0.000 0.000 0.247 970 N C -1.548 174.011 175.510 0.081 0.000 1.117 970 N CA 0.664 53.756 53.050 0.071 0.000 0.703 970 N CB -0.900 37.616 38.487 0.048 0.000 1.052 970 N HN 0.188 nan 8.380 nan 0.000 0.555 971 V N 1.305 121.277 119.914 0.097 0.000 2.482 971 V HA 0.377 4.497 4.120 0.000 0.000 0.295 971 V C 0.915 177.087 176.094 0.131 0.000 1.026 971 V CA -0.511 61.850 62.300 0.101 0.000 0.856 971 V CB 2.099 33.975 31.823 0.088 0.000 1.001 971 V HN 0.177 nan 8.190 nan 0.000 0.424 972 L N 3.545 124.844 121.223 0.125 0.000 3.016 972 L HA 0.522 4.862 4.340 0.000 0.000 0.267 972 L C 0.411 177.338 176.870 0.096 0.000 1.182 972 L CA 0.326 55.243 54.840 0.128 0.000 0.997 972 L CB 0.734 42.867 42.059 0.123 0.000 1.354 972 L HN 0.648 nan 8.230 nan 0.000 0.569 973 E N 2.257 122.524 120.200 0.111 0.000 2.311 973 E HA 0.546 4.896 4.350 0.000 0.000 0.281 973 E C -1.227 175.475 176.600 0.171 0.000 0.905 973 E CA -0.417 56.064 56.400 0.135 0.000 0.778 973 E CB 1.664 31.453 29.700 0.148 0.000 1.240 973 E HN 0.135 nan 8.360 nan 0.000 0.410 974 M N 0.715 120.444 119.600 0.215 0.000 2.534 974 M HA 0.484 4.964 4.480 0.000 0.000 0.280 974 M C -1.555 174.924 176.300 0.299 0.000 1.217 974 M CA -0.832 54.598 55.300 0.216 0.000 0.893 974 M CB 2.287 34.983 32.600 0.161 0.000 1.730 974 M HN 0.155 nan 8.290 nan 0.000 0.483 975 T N 2.711 117.418 114.554 0.255 0.000 2.772 975 T HA 0.615 4.965 4.350 0.000 0.000 0.288 975 T C -1.582 173.296 174.700 0.295 0.000 0.994 975 T CA -0.249 62.009 62.100 0.263 0.000 0.951 975 T CB 0.617 69.544 68.868 0.098 0.000 0.933 975 T HN 0.485 nan 8.240 nan 0.000 0.447 976 F N 2.965 123.016 119.950 0.168 0.000 2.443 976 F HA 0.573 5.100 4.527 0.000 0.000 0.335 976 F C 0.050 175.964 175.800 0.189 0.000 1.104 976 F CA -1.446 56.645 58.000 0.153 0.000 1.013 976 F CB 1.189 40.273 39.000 0.141 0.000 1.136 976 F HN 0.481 nan 8.300 nan 0.000 0.470 977 E N 5.609 125.487 120.200 -0.536 0.000 2.179 977 E HA 0.638 4.988 4.350 0.000 0.000 0.275 977 E C -1.355 174.783 176.600 -0.771 0.000 0.945 977 E CA -0.561 55.565 56.400 -0.457 0.000 0.792 977 E CB 1.198 30.782 29.700 -0.193 0.000 1.125 977 E HN 0.909 nan 8.360 nan 0.000 0.397 978 C N 1.333 120.399 119.300 -0.390 0.000 3.306 978 C HA 0.376 4.836 4.460 0.000 0.000 0.335 978 C C -0.416 174.559 174.990 -0.025 0.000 1.382 978 C CA -1.001 57.862 59.018 -0.258 0.000 1.254 978 C CB 0.849 28.402 27.740 -0.311 0.000 1.555 978 C HN 0.799 nan 8.230 nan 0.000 0.463 979 Q N 1.584 121.383 119.800 -0.002 0.000 2.333 979 Q HA 0.017 4.357 4.340 0.000 0.000 0.299 979 Q C 0.323 176.374 176.000 0.086 0.000 1.067 979 Q CA 0.650 56.473 55.803 0.033 0.000 0.943 979 Q CB 0.375 29.125 28.738 0.020 0.000 1.233 979 Q HN 0.709 nan 8.270 nan 0.000 0.401 980 N N 2.467 121.224 118.700 0.095 0.000 2.236 980 N HA -0.146 4.594 4.740 0.000 0.000 0.274 980 N C -0.086 175.489 175.510 0.109 0.000 1.339 980 N CA 0.307 53.441 53.050 0.141 0.000 0.845 980 N CB 0.389 38.915 38.487 0.065 0.000 1.091 980 N HN 0.449 nan 8.380 nan 0.000 0.489 981 L N 3.137 124.449 121.223 0.149 0.000 2.591 981 L HA 0.309 4.649 4.340 0.000 0.000 0.228 981 L C 1.692 178.575 176.870 0.021 0.000 1.133 981 L CA 0.970 55.812 54.840 0.003 0.000 0.880 981 L CB -1.227 40.716 42.059 -0.193 0.000 1.033 981 L HN 0.921 nan 8.230 nan 0.000 0.450 982 G N 0.035 108.886 108.800 0.085 0.000 2.539 982 G HA2 -0.310 3.650 3.960 0.000 0.000 0.256 982 G HA3 -0.310 3.650 3.960 0.000 0.000 0.256 982 G C 0.037 174.973 174.900 0.059 0.000 1.233 982 G CA -0.322 44.810 45.100 0.053 0.000 0.936 982 G HN 0.249 nan 8.290 nan 0.000 0.571 983 K N 0.788 121.183 120.400 -0.008 0.000 2.349 983 K HA 0.406 4.727 4.320 0.000 0.000 0.288 983 K C 0.711 177.205 176.600 -0.176 0.000 1.058 983 K CA -0.299 55.981 56.287 -0.012 0.000 0.953 983 K CB 0.618 33.067 32.500 -0.084 0.000 0.997 983 K HN 0.404 nan 8.250 nan 0.000 0.477 984 L N 2.981 123.895 121.223 -0.515 0.000 2.490 984 L HA -0.065 4.275 4.340 0.000 0.000 0.274 984 L C 1.715 178.390 176.870 -0.325 0.000 1.201 984 L CA 0.238 54.764 54.840 -0.524 0.000 0.869 984 L CB 0.229 41.808 42.059 -0.801 0.000 1.123 984 L HN 0.887 nan 8.230 nan 0.000 0.484 985 T N -2.496 112.011 114.554 -0.079 0.000 3.151 985 T HA 0.142 4.492 4.350 0.000 0.000 0.239 985 T C 0.646 175.442 174.700 0.161 0.000 0.979 985 T CA 0.510 62.620 62.100 0.017 0.000 1.194 985 T CB 0.521 69.382 68.868 -0.012 0.000 0.982 985 T HN 0.662 nan 8.240 nan 0.000 0.428 986 T N -0.668 113.971 114.554 0.141 0.000 2.883 986 T HA 0.762 5.112 4.350 0.000 0.000 0.296 986 T C -1.433 173.205 174.700 -0.103 0.000 1.117 986 T CA -0.748 61.438 62.100 0.143 0.000 1.006 986 T CB 2.135 71.031 68.868 0.047 0.000 1.191 986 T HN 0.208 nan 8.240 nan 0.000 0.508 987 V N 1.955 121.718 119.914 -0.253 0.000 2.733 987 V HA 0.511 4.631 4.120 0.000 0.000 0.306 987 V C -1.291 174.636 176.094 -0.278 0.000 1.084 987 V CA -0.823 61.184 62.300 -0.488 0.000 0.905 987 V CB 2.076 33.216 31.823 -1.139 0.000 1.010 987 V HN 1.074 nan 8.190 nan 0.000 0.424 988 Q N 5.724 125.388 119.800 -0.227 0.000 2.340 988 Q HA 0.841 5.181 4.340 0.000 0.000 0.268 988 Q C -0.951 174.748 176.000 -0.501 0.000 1.031 988 Q CA -0.721 54.950 55.803 -0.221 0.000 0.804 988 Q CB 2.768 31.497 28.738 -0.015 0.000 1.286 988 Q HN 0.761 nan 8.270 nan 0.000 0.448 989 I N -1.821 118.395 120.570 -0.590 0.000 2.892 989 I HA 0.985 5.155 4.170 0.000 0.000 0.306 989 I C -0.230 175.367 176.117 -0.868 0.000 1.078 989 I CA -0.950 59.855 61.300 -0.826 0.000 1.032 989 I CB 2.446 40.181 38.000 -0.442 0.000 1.229 989 I HN 0.768 nan 8.210 nan 0.000 0.435 990 G N 1.583 109.730 108.800 -1.089 0.000 2.488 990 G HA2 0.638 4.598 3.960 0.000 0.000 0.301 990 G HA3 0.638 4.598 3.960 0.000 0.000 0.301 990 G C -1.940 172.888 174.900 -0.119 0.000 1.339 990 G CA -0.619 44.201 45.100 -0.467 0.000 0.803 990 G HN 1.158 nan 8.290 nan 0.000 0.482 991 H N -2.550 116.686 119.070 0.277 0.000 2.960 991 H HA 0.665 5.221 4.556 0.000 0.000 0.338 991 H C -0.258 175.262 175.328 0.319 0.000 1.261 991 H CA -0.223 56.026 56.048 0.335 0.000 1.136 991 H CB 1.443 31.404 29.762 0.331 0.000 1.875 991 H HN 0.407 nan 8.280 nan 0.000 0.550 992 D N -0.667 119.962 120.400 0.382 0.000 2.328 992 D HA 0.002 4.642 4.640 0.000 0.000 0.226 992 D C 0.253 176.681 176.300 0.214 0.000 1.066 992 D CA 0.131 54.260 54.000 0.215 0.000 0.861 992 D CB -0.377 40.498 40.800 0.126 0.000 0.912 992 D HN 0.683 nan 8.370 nan 0.000 0.521 993 N N -0.373 118.604 118.700 0.461 0.000 2.778 993 N HA -0.236 4.504 4.740 0.000 0.000 0.249 993 N C -0.507 175.062 175.510 0.099 0.000 1.069 993 N CA 0.980 54.221 53.050 0.318 0.000 0.831 993 N CB -1.514 37.075 38.487 0.169 0.000 1.142 993 N HN 0.480 nan 8.380 nan 0.000 0.573 994 S N -1.143 114.579 115.700 0.037 0.000 2.624 994 S HA 0.659 5.129 4.470 0.000 0.000 0.263 994 S C 1.111 175.641 174.600 -0.116 0.000 1.287 994 S CA 0.425 58.601 58.200 -0.040 0.000 0.990 994 S CB 1.492 64.663 63.200 -0.047 0.000 0.950 994 S HN 1.460 nan 8.310 nan 0.000 0.561 995 G N 0.140 108.882 108.800 -0.097 0.000 2.760 995 G HA2 -0.168 3.792 3.960 0.000 0.000 0.246 995 G HA3 -0.168 3.792 3.960 0.000 0.000 0.246 995 G C 0.151 175.011 174.900 -0.066 0.000 1.359 995 G CA -0.087 44.949 45.100 -0.108 0.000 0.861 995 G HN 0.920 nan 8.290 nan 0.000 0.541 996 L N -1.411 119.790 121.223 -0.038 0.000 2.071 996 L HA 0.190 4.530 4.340 0.000 0.000 0.201 996 L C 1.521 178.433 176.870 0.069 0.000 1.076 996 L CA 0.989 55.839 54.840 0.018 0.000 0.755 996 L CB -0.100 41.980 42.059 0.034 0.000 0.915 996 L HN 0.472 nan 8.230 nan 0.000 0.445 997 Y N 0.952 121.204 120.300 -0.081 0.000 2.880 997 Y HA 0.445 4.995 4.550 0.000 0.000 0.329 997 Y C 0.397 176.248 175.900 -0.083 0.000 1.156 997 Y CA -1.431 56.640 58.100 -0.047 0.000 1.348 997 Y CB 0.458 38.913 38.460 -0.008 0.000 1.280 997 Y HN -0.005 nan 8.280 nan 0.000 0.516 998 A N 5.458 128.121 122.820 -0.262 0.000 3.197 998 A HA 0.329 4.649 4.320 0.000 0.000 0.263 998 A C 0.003 177.507 177.584 -0.134 0.000 1.524 998 A CA -0.451 51.428 52.037 -0.264 0.000 1.176 998 A CB -0.584 18.354 19.000 -0.104 0.000 1.096 998 A HN 0.578 nan 8.150 nan 0.000 0.655 999 K N 0.157 120.437 120.400 -0.201 0.000 2.413 999 K HA 0.379 4.699 4.320 0.000 0.000 0.257 999 K C -1.667 175.244 176.600 0.519 0.000 0.946 999 K CA -0.396 55.891 56.287 -0.001 0.000 0.823 999 K CB 1.877 34.019 32.500 -0.597 0.000 1.109 999 K HN 0.452 nan 8.250 nan 0.000 0.427 1000 W N 4.291 125.815 121.300 0.373 0.000 2.702 1000 W HA 0.453 5.113 4.660 0.000 0.000 0.331 1000 W C -1.736 174.770 176.519 -0.022 0.000 1.049 1000 W CA -1.327 56.020 57.345 0.002 0.000 1.230 1000 W CB 1.240 30.347 29.460 -0.589 0.000 1.408 1000 W HN 0.347 nan 8.180 nan 0.000 0.492 1001 L N 6.599 127.609 121.223 -0.356 0.000 2.377 1001 L HA 0.573 4.913 4.340 0.000 0.000 0.270 1001 L C -1.468 174.921 176.870 -0.802 0.000 0.991 1001 L CA -0.663 53.637 54.840 -0.899 0.000 0.851 1001 L CB 1.222 42.335 42.059 -1.577 0.000 1.218 1001 L HN 0.087 nan 8.230 nan 0.000 0.420 1002 V N 5.252 124.685 119.914 -0.801 0.000 2.398 1002 V HA 0.359 4.479 4.120 0.000 0.000 0.286 1002 V C 0.991 176.800 176.094 -0.475 0.000 1.026 1002 V CA -0.433 61.412 62.300 -0.759 0.000 0.868 1002 V CB 1.455 32.713 31.823 -0.942 0.000 0.982 1002 V HN 0.789 nan 8.190 nan 0.000 0.443 1003 E N 2.039 122.020 120.200 -0.364 0.000 2.072 1003 E HA -0.009 4.341 4.350 0.000 0.000 0.190 1003 E C 0.495 176.981 176.600 -0.191 0.000 0.982 1003 E CA 1.424 57.675 56.400 -0.248 0.000 0.803 1003 E CB 0.412 29.998 29.700 -0.191 0.000 0.755 1003 E HN 0.933 nan 8.360 nan 0.000 0.453 1004 C N -2.989 116.201 119.300 -0.185 0.000 3.275 1004 C HA 0.604 5.064 4.460 0.000 0.000 0.345 1004 C C -0.863 174.071 174.990 -0.094 0.000 1.257 1004 C CA -1.297 57.657 59.018 -0.107 0.000 1.203 1004 C CB 0.686 28.390 27.740 -0.061 0.000 1.492 1004 C HN -0.095 nan 8.230 nan 0.000 0.484 1005 V N 2.437 122.355 119.914 0.006 0.000 2.628 1005 V HA 0.735 4.855 4.120 0.000 0.000 0.306 1005 V C -0.289 175.930 176.094 0.208 0.000 1.045 1005 V CA -0.388 61.928 62.300 0.027 0.000 0.905 1005 V CB 1.855 33.644 31.823 -0.057 0.000 0.997 1005 V HN 0.909 nan 8.190 nan 0.000 0.436 1006 M N 4.546 124.232 119.600 0.143 0.000 2.190 1006 M HA 0.562 5.042 4.480 0.000 0.000 0.312 1006 M C -1.133 175.291 176.300 0.206 0.000 0.990 1006 M CA -0.451 54.961 55.300 0.187 0.000 0.927 1006 M CB 1.670 34.299 32.600 0.048 0.000 1.571 1006 M HN 0.354 nan 8.290 nan 0.000 0.427 1007 V N 3.515 123.667 119.914 0.396 0.000 2.555 1007 V HA 0.625 4.745 4.120 0.000 0.000 0.302 1007 V C -0.241 176.103 176.094 0.417 0.000 1.038 1007 V CA -0.786 61.740 62.300 0.377 0.000 0.887 1007 V CB 2.650 34.732 31.823 0.432 0.000 0.991 1007 V HN 0.852 nan 8.190 nan 0.000 0.434 1008 R N 2.990 123.700 120.500 0.349 0.000 2.628 1008 R HA 0.371 4.711 4.340 0.000 0.000 0.288 1008 R C -0.658 175.793 176.300 0.251 0.000 0.980 1008 R CA -0.689 55.600 56.100 0.314 0.000 0.891 1008 R CB 1.403 31.833 30.300 0.217 0.000 1.188 1008 R HN 0.771 nan 8.270 nan 0.000 0.450 1009 N N 3.103 121.922 118.700 0.199 0.000 2.399 1009 N HA -0.030 4.710 4.740 0.000 0.000 0.259 1009 N C 0.100 175.589 175.510 -0.036 0.000 1.160 1009 N CA 0.253 53.270 53.050 -0.056 0.000 0.946 1009 N CB 1.134 39.651 38.487 0.050 0.000 1.156 1009 N HN 0.601 nan 8.380 nan 0.000 0.489 1010 E N 2.650 122.794 120.200 -0.093 0.000 2.418 1010 E HA -0.051 4.299 4.350 0.000 0.000 0.197 1010 E C 1.240 177.786 176.600 -0.089 0.000 1.026 1010 E CA 0.558 56.939 56.400 -0.031 0.000 0.862 1010 E CB 0.432 30.122 29.700 -0.016 0.000 0.799 1010 E HN 0.460 nan 8.360 nan 0.000 0.518 1011 V N 0.624 120.407 119.914 -0.218 0.000 2.685 1011 V HA -0.098 4.022 4.120 0.000 0.000 0.244 1011 V C 2.374 178.270 176.094 -0.331 0.000 1.054 1011 V CA 1.885 63.894 62.300 -0.485 0.000 1.076 1011 V CB -0.085 31.426 31.823 -0.520 0.000 0.725 1011 V HN 0.354 nan 8.190 nan 0.000 0.467 1012 T N -3.255 111.220 114.554 -0.132 0.000 3.037 1012 T HA 0.312 4.662 4.350 0.000 0.000 0.251 1012 T C 1.659 176.408 174.700 0.081 0.000 1.079 1012 T CA 1.070 63.159 62.100 -0.019 0.000 1.067 1012 T CB 0.803 69.733 68.868 0.104 0.000 0.948 1012 T HN 0.863 nan 8.240 nan 0.000 0.496 1013 G N 1.245 110.086 108.800 0.069 0.000 2.205 1013 G HA2 -0.257 3.703 3.960 0.000 0.000 0.261 1013 G HA3 -0.257 3.703 3.960 0.000 0.000 0.261 1013 G C 0.061 175.004 174.900 0.071 0.000 0.980 1013 G CA 0.147 45.281 45.100 0.057 0.000 0.632 1013 G HN 0.747 nan 8.290 nan 0.000 0.533 1014 H N 1.243 120.312 119.070 -0.003 0.000 3.070 1014 H HA 0.285 4.841 4.556 0.000 0.000 0.313 1014 H C -0.116 175.200 175.328 -0.019 0.000 0.997 1014 H CA 1.370 57.397 56.048 -0.035 0.000 1.438 1014 H CB 0.550 30.349 29.762 0.061 0.000 1.455 1014 H HN 0.143 nan 8.280 nan 0.000 0.575 1015 T N 5.244 119.743 114.554 -0.093 0.000 2.791 1015 T HA 0.234 4.584 4.350 0.000 0.000 0.288 1015 T C -0.668 173.907 174.700 -0.208 0.000 0.999 1015 T CA -0.599 61.478 62.100 -0.037 0.000 0.952 1015 T CB 0.255 69.106 68.868 -0.028 0.000 0.938 1015 T HN 0.314 nan 8.240 nan 0.000 0.444 1016 Y N 2.277 122.605 120.300 0.047 0.000 2.330 1016 Y HA 0.486 5.036 4.550 0.000 0.000 0.336 1016 Y C 0.564 176.306 175.900 -0.263 0.000 1.036 1016 Y CA -0.938 57.072 58.100 -0.149 0.000 1.125 1016 Y CB 1.254 39.601 38.460 -0.188 0.000 1.194 1016 Y HN 0.414 nan 8.280 nan 0.000 0.469 1017 K N 3.439 123.682 120.400 -0.261 0.000 2.185 1017 K HA 0.504 4.824 4.320 0.000 0.000 0.269 1017 K C -1.844 174.501 176.600 -0.425 0.000 0.987 1017 K CA -0.452 55.714 56.287 -0.202 0.000 0.865 1017 K CB 0.534 32.958 32.500 -0.126 0.000 1.090 1017 K HN 0.582 nan 8.250 nan 0.000 0.450 1018 F N 5.561 125.514 119.950 0.005 0.000 2.366 1018 F HA 0.318 4.845 4.527 0.000 0.000 0.357 1018 F C -2.130 173.633 175.800 -0.063 0.000 1.107 1018 F CA -2.360 55.627 58.000 -0.023 0.000 1.208 1018 F CB 1.279 40.256 39.000 -0.038 0.000 1.464 1018 F HN 0.431 nan 8.300 nan 0.000 0.501 1019 P HA -0.046 nan 4.420 nan 0.000 0.264 1019 P C 0.031 177.317 177.300 -0.024 0.000 1.183 1019 P CA 0.303 63.394 63.100 -0.015 0.000 0.763 1019 P CB 1.175 32.857 31.700 -0.031 0.000 0.807 1020 C N 2.427 121.681 119.300 -0.077 0.000 3.196 1020 C HA 0.543 5.003 4.460 0.000 0.000 0.177 1020 C C 1.893 176.807 174.990 -0.128 0.000 2.554 1020 C CA 1.116 60.067 59.018 -0.112 0.000 1.132 1020 C CB -0.617 27.013 27.740 -0.183 0.000 1.234 1020 C HN 0.753 nan 8.230 nan 0.000 0.728 1021 G N 1.870 110.561 108.800 -0.183 0.000 2.168 1021 G HA2 -0.189 3.771 3.960 0.000 0.000 0.257 1021 G HA3 -0.189 3.771 3.960 0.000 0.000 0.257 1021 G C 0.048 174.831 174.900 -0.196 0.000 0.997 1021 G CA 0.766 45.752 45.100 -0.190 0.000 0.708 1021 G HN 0.779 nan 8.290 nan 0.000 0.520 1022 R N -1.880 118.499 120.500 -0.201 0.000 2.854 1022 R HA 0.529 4.869 4.340 0.000 0.000 0.271 1022 R C -0.354 175.861 176.300 -0.141 0.000 0.994 1022 R CA -0.998 55.026 56.100 -0.126 0.000 0.945 1022 R CB 1.114 31.401 30.300 -0.023 0.000 1.194 1022 R HN 0.159 nan 8.270 nan 0.000 0.476 1023 W N 1.423 122.710 121.300 -0.022 0.000 2.093 1023 W HA 0.287 4.947 4.660 0.000 0.000 0.352 1023 W C 0.026 176.566 176.519 0.034 0.000 1.294 1023 W CA -0.111 57.239 57.345 0.008 0.000 1.290 1023 W CB 0.461 29.941 29.460 0.033 0.000 1.149 1023 W HN 0.133 nan 8.180 nan 0.000 0.606 1024 L N 3.162 124.658 121.223 0.455 0.000 2.442 1024 L HA 0.708 5.048 4.340 0.000 0.000 0.261 1024 L C 0.128 177.333 176.870 0.558 0.000 1.000 1024 L CA -0.414 54.655 54.840 0.382 0.000 0.882 1024 L CB 0.600 42.903 42.059 0.407 0.000 1.207 1024 L HN 0.616 nan 8.230 nan 0.000 0.443 1025 G N 1.975 110.965 108.800 0.317 0.000 2.368 1025 G HA2 0.057 4.017 3.960 0.000 0.000 0.303 1025 G HA3 0.057 4.017 3.960 0.000 0.000 0.303 1025 G C -1.567 173.396 174.900 0.106 0.000 1.590 1025 G CA -1.045 44.220 45.100 0.276 0.000 0.938 1025 G HN 0.255 nan 8.290 nan 0.000 0.675 1026 K N 0.299 120.742 120.400 0.071 0.000 2.451 1026 K HA 0.427 4.747 4.320 0.000 0.000 0.280 1026 K C 1.396 177.983 176.600 -0.021 0.000 1.020 1026 K CA 1.472 57.772 56.287 0.022 0.000 1.008 1026 K CB 1.061 33.574 32.500 0.021 0.000 0.917 1026 K HN 1.808 nan 8.250 nan 0.000 0.478 1027 G N 2.183 110.966 108.800 -0.029 0.000 2.397 1027 G HA2 -0.219 3.741 3.960 0.000 0.000 0.211 1027 G HA3 -0.219 3.741 3.960 0.000 0.000 0.211 1027 G C 0.103 174.948 174.900 -0.091 0.000 1.077 1027 G CA -0.514 44.550 45.100 -0.060 0.000 0.649 1027 G HN 0.418 nan 8.290 nan 0.000 0.511 1028 M N 1.353 120.878 119.600 -0.125 0.000 2.291 1028 M HA 0.474 4.954 4.480 0.000 0.000 0.324 1028 M C 1.040 177.331 176.300 -0.015 0.000 1.148 1028 M CA 0.056 55.249 55.300 -0.179 0.000 1.104 1028 M CB 0.410 32.767 32.600 -0.405 0.000 1.483 1028 M HN 0.390 nan 8.290 nan 0.000 0.467 1029 D N 1.379 121.798 120.400 0.032 0.000 3.424 1029 D HA -0.265 4.375 4.640 0.000 0.000 0.162 1029 D C 0.415 176.746 176.300 0.052 0.000 1.055 1029 D CA 2.487 56.542 54.000 0.091 0.000 1.016 1029 D CB -0.435 40.462 40.800 0.161 0.000 0.500 1029 D HN 0.887 nan 8.370 nan 0.000 0.501 1030 D N 0.498 120.933 120.400 0.058 0.000 2.336 1030 D HA 0.270 4.910 4.640 0.000 0.000 0.228 1030 D C 1.134 177.456 176.300 0.036 0.000 1.120 1030 D CA 0.809 54.833 54.000 0.039 0.000 0.839 1030 D CB -0.383 40.439 40.800 0.037 0.000 0.932 1030 D HN 0.918 nan 8.370 nan 0.000 0.509 1031 G N 0.336 109.161 108.800 0.041 0.000 2.273 1031 G HA2 -0.268 3.692 3.960 0.000 0.000 0.280 1031 G HA3 -0.268 3.692 3.960 0.000 0.000 0.280 1031 G C 0.013 174.937 174.900 0.041 0.000 1.047 1031 G CA 0.313 45.435 45.100 0.036 0.000 0.869 1031 G HN 0.387 nan 8.290 nan 0.000 0.502 1032 S N -0.815 114.918 115.700 0.054 0.000 2.537 1032 S HA 0.524 4.994 4.470 0.000 0.000 0.275 1032 S C 1.375 175.996 174.600 0.035 0.000 1.272 1032 S CA -0.564 57.663 58.200 0.045 0.000 1.050 1032 S CB 1.529 64.757 63.200 0.046 0.000 0.961 1032 S HN 0.323 nan 8.310 nan 0.000 0.496 1033 L N 1.719 122.946 121.223 0.006 0.000 2.640 1033 L HA 0.277 4.617 4.340 0.000 0.000 0.230 1033 L C -0.351 176.495 176.870 -0.039 0.000 1.123 1033 L CA 0.352 55.141 54.840 -0.086 0.000 0.900 1033 L CB 0.071 42.081 42.059 -0.082 0.000 1.146 1033 L HN 0.625 nan 8.230 nan 0.000 0.484 1034 E N -0.409 119.819 120.200 0.045 0.000 2.335 1034 E HA 0.509 4.859 4.350 0.000 0.000 0.280 1034 E C -1.055 175.563 176.600 0.030 0.000 0.918 1034 E CA -0.613 55.834 56.400 0.080 0.000 0.765 1034 E CB 1.757 31.657 29.700 0.334 0.000 1.218 1034 E HN -0.021 nan 8.360 nan 0.000 0.425 1035 R N 0.995 121.469 120.500 -0.043 0.000 2.744 1035 R HA 0.680 5.020 4.340 0.000 0.000 0.279 1035 R C -1.102 175.165 176.300 -0.055 0.000 0.977 1035 R CA -1.187 54.892 56.100 -0.034 0.000 0.906 1035 R CB 2.313 32.585 30.300 -0.047 0.000 1.197 1035 R HN 0.254 nan 8.270 nan 0.000 0.463 1036 V N 3.694 123.596 119.914 -0.020 0.000 2.394 1036 V HA 0.297 4.417 4.120 0.000 0.000 0.282 1036 V C -0.717 175.371 176.094 -0.009 0.000 1.031 1036 V CA -0.648 61.642 62.300 -0.016 0.000 0.881 1036 V CB 1.355 33.185 31.823 0.012 0.000 0.982 1036 V HN 0.407 nan 8.190 nan 0.000 0.451 1037 L N 6.037 127.255 121.223 -0.009 0.000 2.296 1037 L HA 0.518 4.858 4.340 0.000 0.000 0.286 1037 L C -0.072 176.911 176.870 0.189 0.000 1.023 1037 L CA -0.117 54.764 54.840 0.067 0.000 0.812 1037 L CB 1.888 43.984 42.059 0.061 0.000 1.223 1037 L HN 0.356 nan 8.230 nan 0.000 0.421 1038 V N 3.057 123.068 119.914 0.161 0.000 2.385 1038 V HA 0.567 4.687 4.120 0.000 0.000 0.269 1038 V C 0.852 177.014 176.094 0.114 0.000 1.043 1038 V CA -0.607 61.781 62.300 0.148 0.000 0.906 1038 V CB 1.005 32.863 31.823 0.058 0.000 0.995 1038 V HN 0.869 nan 8.190 nan 0.000 0.467 1039 G N 3.767 112.614 108.800 0.079 0.000 2.476 1039 G HA2 0.500 4.460 3.960 0.000 0.000 0.269 1039 G HA3 0.500 4.460 3.960 0.000 0.000 0.269 1039 G C -0.476 174.278 174.900 -0.243 0.000 1.195 1039 G CA -0.266 44.514 45.100 -0.533 0.000 0.843 1039 G HN 0.760 nan 8.290 nan 0.000 0.545 1040 E N 1.364 121.397 120.200 -0.278 0.000 2.234 1040 E HA 0.347 4.697 4.350 0.000 0.000 0.266 1040 E C -1.215 175.323 176.600 -0.104 0.000 0.877 1040 E CA -0.937 55.399 56.400 -0.107 0.000 0.758 1040 E CB 1.821 31.452 29.700 -0.114 0.000 1.170 1040 E HN 0.307 nan 8.360 nan 0.000 0.415 1041 L N 5.482 126.655 121.223 -0.083 0.000 2.360 1041 L HA 0.280 4.620 4.340 0.000 0.000 0.276 1041 L C -0.985 175.750 176.870 -0.225 0.000 1.121 1041 L CA 0.106 54.748 54.840 -0.331 0.000 0.845 1041 L CB 0.481 42.408 42.059 -0.219 0.000 1.143 1041 L HN 0.615 nan 8.230 nan 0.000 0.452 1042 L N 4.063 125.132 121.223 -0.257 0.000 2.371 1042 L HA 0.266 4.606 4.340 0.000 0.000 0.272 1042 L C 0.874 177.645 176.870 -0.165 0.000 1.124 1042 L CA -0.432 54.306 54.840 -0.169 0.000 0.816 1042 L CB 1.130 43.104 42.059 -0.142 0.000 1.129 1042 L HN 0.672 nan 8.230 nan 0.000 0.448 1043 T N 1.486 115.969 114.554 -0.119 0.000 2.916 1043 T HA 0.072 4.422 4.350 0.000 0.000 0.303 1043 T C 0.487 175.115 174.700 -0.120 0.000 1.025 1043 T CA -0.746 61.288 62.100 -0.110 0.000 1.142 1043 T CB 0.297 69.120 68.868 -0.075 0.000 0.947 1043 T HN 0.711 nan 8.240 nan 0.000 0.544 1044 S N 5.614 121.231 115.700 -0.138 0.000 2.546 1044 S HA 0.393 4.863 4.470 0.000 0.000 0.290 1044 S C -0.031 174.513 174.600 -0.093 0.000 1.290 1044 S CA -0.635 57.483 58.200 -0.137 0.000 1.069 1044 S CB -0.486 62.621 63.200 -0.154 0.000 0.846 1044 S HN 0.939 nan 8.310 nan 0.000 0.495 1045 L N 0.106 121.280 121.223 -0.081 0.000 2.506 1045 L HA 0.846 5.186 4.340 0.000 0.000 0.257 1045 L C -2.669 174.174 176.870 -0.046 0.000 0.964 1045 L CA -1.671 53.135 54.840 -0.056 0.000 0.836 1045 L CB 1.198 43.228 42.059 -0.048 0.000 1.384 1045 L HN 0.507 nan 8.230 nan 0.000 0.410 1046 P HA 0.567 nan 4.420 nan 0.000 0.344 1046 P C -0.623 176.659 177.300 -0.031 0.000 1.282 1046 P CA -0.118 62.964 63.100 -0.030 0.000 0.769 1046 P CB 1.417 33.105 31.700 -0.019 0.000 1.561 1047 E N -1.138 119.048 120.200 -0.024 0.000 2.660 1047 E HA 0.237 4.587 4.350 0.000 0.000 0.216 1047 E C 0.161 176.751 176.600 -0.016 0.000 0.986 1047 E CA -0.166 56.220 56.400 -0.023 0.000 1.037 1047 E CB 0.052 29.740 29.700 -0.020 0.000 1.041 1047 E HN 0.093 nan 8.360 nan 0.000 0.480 1048 V N 0.000 119.907 119.914 -0.012 0.000 2.409 1048 V HA 0.000 4.120 4.120 0.000 0.000 0.244 1048 V CA 0.000 62.297 62.300 -0.005 0.000 1.235 1048 V CB 0.000 31.822 31.823 -0.002 0.000 1.184 1048 V HN 0.000 nan 8.190 nan 0.000 0.556