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 2oax_1_A DATA FIRST_RESID 738 DATA SEQUENCE PVMVLENIEP EIVYAGYDSX XXDTAENLLS TLNRLAGKQM IQVVKWAKVL DATA SEQUENCE PGFKNLPLED QITLIQYSWM CLLSFALSWR SYKHTNSQFL YFAPDLVFNE DATA SEQUENCE EKMHQSAMYE LCQGMHQISL QFVRLQLTFE EYTIMKVLLL LSTIPKDGLK DATA SEQUENCE SQAAFEEMRT NYIKELRKMV TXXXXXXXXX WQRFYQLTKL LDSMHDLVSD DATA SEQUENCE LLEFCFYTFR ESHALKVEFP AMLVEIISDQ LPKVESGNAK PLYFH 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 738 P HA 0.000 4.420 4.420 0.000 0.000 0.216 738 P C 0.000 177.299 177.300 -0.002 0.000 1.155 738 P CA 0.000 63.086 63.100 -0.023 0.000 0.800 738 P CB 0.000 31.665 31.700 -0.059 0.000 0.726 739 V N 0.786 120.692 119.914 -0.013 0.000 2.295 739 V HA -0.251 3.868 4.120 -0.001 0.000 0.246 739 V C 2.514 178.593 176.094 -0.024 0.000 1.049 739 V CA 2.399 64.683 62.300 -0.028 0.000 1.024 739 V CB -0.751 31.056 31.823 -0.026 0.000 0.648 739 V HN 0.304 8.494 8.190 0.000 0.000 0.447 740 M N 0.450 120.048 119.600 -0.003 0.000 2.082 740 M HA -0.160 4.319 4.480 -0.001 0.000 0.258 740 M C 2.027 178.338 176.300 0.020 0.000 1.071 740 M CA 2.120 57.429 55.300 0.015 0.000 1.103 740 M CB -0.693 31.917 32.600 0.017 0.000 1.307 740 M HN 0.110 8.400 8.290 0.000 0.000 0.409 741 V N 0.450 120.374 119.914 0.016 0.000 2.287 741 V HA -0.309 3.811 4.120 -0.001 0.000 0.248 741 V C 2.529 178.642 176.094 0.032 0.000 1.053 741 V CA 2.180 64.494 62.300 0.024 0.000 1.027 741 V CB -1.014 30.818 31.823 0.016 0.000 0.646 741 V HN 0.598 8.788 8.190 0.000 0.000 0.447 742 L N -0.276 120.956 121.223 0.016 0.000 2.042 742 L HA -0.233 4.107 4.340 -0.001 0.000 0.210 742 L C 2.630 179.491 176.870 -0.015 0.000 1.076 742 L CA 1.872 56.719 54.840 0.012 0.000 0.749 742 L CB -0.673 41.367 42.059 -0.033 0.000 0.893 742 L HN 0.430 8.660 8.230 0.000 0.000 0.432 743 E N -0.348 119.818 120.200 -0.056 0.000 2.152 743 E HA -0.197 4.152 4.350 -0.001 0.000 0.192 743 E C 1.752 178.429 176.600 0.128 0.000 0.983 743 E CA 1.043 57.432 56.400 -0.018 0.000 0.818 743 E CB -0.120 29.597 29.700 0.029 0.000 0.758 743 E HN 0.470 8.830 8.360 0.000 0.000 0.467 744 N N 0.983 119.743 118.700 0.101 0.000 2.270 744 N HA -0.068 4.672 4.740 -0.001 0.000 0.181 744 N C 1.773 177.361 175.510 0.131 0.000 1.016 744 N CA 0.655 53.774 53.050 0.114 0.000 0.870 744 N CB 0.105 38.643 38.487 0.084 0.000 0.979 744 N HN 0.200 8.580 8.380 0.000 0.000 0.431 745 I N -1.771 118.883 120.570 0.139 0.000 3.812 745 I HA 0.221 4.390 4.170 -0.001 0.000 0.320 745 I C 0.116 176.399 176.117 0.277 0.000 1.276 745 I CA -0.283 61.129 61.300 0.187 0.000 1.164 745 I CB -0.236 37.859 38.000 0.158 0.000 1.009 745 I HN -0.064 8.146 8.210 0.000 0.000 0.431 746 E N 4.039 124.375 120.200 0.227 0.000 2.415 746 E HA 0.205 4.554 4.350 -0.001 0.000 0.262 746 E C -1.979 174.726 176.600 0.175 0.000 1.038 746 E CA -1.649 54.869 56.400 0.195 0.000 0.921 746 E CB 0.331 30.179 29.700 0.246 0.000 0.950 746 E HN 0.238 8.598 8.360 0.000 0.000 0.438 747 P HA 0.019 4.439 4.420 0.000 0.000 0.270 747 P C -0.680 176.695 177.300 0.126 0.000 1.223 747 P CA 0.065 63.232 63.100 0.111 0.000 0.785 747 P CB 0.621 32.352 31.700 0.053 0.000 0.923 748 E N 0.266 120.537 120.200 0.119 0.000 2.312 748 E HA 0.236 4.586 4.350 -0.001 0.000 0.259 748 E C 0.125 176.784 176.600 0.099 0.000 1.122 748 E CA -0.906 55.563 56.400 0.116 0.000 0.922 748 E CB 0.392 30.162 29.700 0.116 0.000 1.109 748 E HN 0.307 8.667 8.360 0.000 0.000 0.442 749 I N 0.908 121.528 120.570 0.084 0.000 2.775 749 I HA -0.092 4.078 4.170 -0.001 0.000 0.290 749 I C -0.096 176.019 176.117 -0.004 0.000 1.203 749 I CA 0.520 61.826 61.300 0.011 0.000 1.433 749 I CB -0.110 37.861 38.000 -0.050 0.000 1.354 749 I HN 0.057 8.267 8.210 0.000 0.000 0.579 750 V N 7.060 126.937 119.914 -0.062 0.000 2.487 750 V HA 0.361 4.480 4.120 -0.001 0.000 0.298 750 V C -0.470 175.554 176.094 -0.115 0.000 1.028 750 V CA -0.810 61.493 62.300 0.004 0.000 0.860 750 V CB 1.071 32.926 31.823 0.054 0.000 0.991 750 V HN 0.389 8.579 8.190 0.000 0.000 0.427 751 Y N 1.879 122.204 120.300 0.040 0.000 2.335 751 Y HA 0.515 5.064 4.550 -0.001 0.000 0.323 751 Y C 1.254 177.172 175.900 0.030 0.000 1.224 751 Y CA 0.048 58.164 58.100 0.026 0.000 1.241 751 Y CB 1.565 40.041 38.460 0.027 0.000 1.235 751 Y HN 0.665 8.945 8.280 0.000 0.000 0.492 752 A N 1.617 124.535 122.820 0.163 0.000 2.123 752 A HA 0.286 4.605 4.320 -0.001 0.000 0.214 752 A C 1.802 179.473 177.584 0.145 0.000 1.152 752 A CA 0.691 52.801 52.037 0.122 0.000 0.728 752 A CB -1.069 17.991 19.000 0.100 0.000 0.814 752 A HN 1.403 9.553 8.150 0.000 0.000 0.464 753 G N -1.683 107.224 108.800 0.179 0.000 2.225 753 G HA2 -0.343 3.617 3.960 -0.001 0.000 0.267 753 G HA3 -0.343 3.617 3.960 -0.001 0.000 0.267 753 G C 0.052 175.016 174.900 0.107 0.000 1.024 753 G CA 0.341 45.511 45.100 0.117 0.000 0.784 753 G HN 0.805 9.095 8.290 0.000 0.000 0.507 754 Y N 1.168 121.490 120.300 0.036 0.000 2.721 754 Y HA 0.342 4.891 4.550 -0.001 0.000 0.329 754 Y C 0.415 176.321 175.900 0.010 0.000 1.211 754 Y CA 0.528 58.640 58.100 0.020 0.000 1.512 754 Y CB 0.745 39.220 38.460 0.025 0.000 1.249 754 Y HN 0.174 8.454 8.280 0.000 0.000 0.549 755 D N 5.021 125.174 120.400 -0.410 0.000 2.464 755 D HA 0.164 4.804 4.640 -0.001 0.000 0.243 755 D C -0.568 175.531 176.300 -0.335 0.000 1.104 755 D CA -0.122 53.731 54.000 -0.245 0.000 0.883 755 D CB 0.947 41.646 40.800 -0.169 0.000 1.050 755 D HN 0.515 8.885 8.370 0.000 0.000 0.524 761 T N -0.818 113.742 114.554 0.010 0.000 2.899 761 T HA 0.587 4.936 4.350 -0.001 0.000 0.284 761 T C 1.713 176.432 174.700 0.032 0.000 1.004 761 T CA 0.354 62.465 62.100 0.017 0.000 1.043 761 T CB 1.306 70.179 68.868 0.009 0.000 1.013 761 T HN 0.212 8.452 8.240 0.000 0.000 0.518 762 A N 2.793 125.639 122.820 0.044 0.000 1.948 762 A HA -0.148 4.171 4.320 -0.001 0.000 0.220 762 A C 1.956 179.576 177.584 0.059 0.000 1.177 762 A CA 2.391 54.468 52.037 0.067 0.000 0.636 762 A CB -0.832 18.219 19.000 0.084 0.000 0.815 762 A HN 0.988 9.138 8.150 0.000 0.000 0.449 763 E N 0.062 120.285 120.200 0.037 0.000 2.077 763 E HA -0.219 4.131 4.350 -0.001 0.000 0.193 763 E C 1.853 178.456 176.600 0.004 0.000 0.989 763 E CA 1.361 57.773 56.400 0.019 0.000 0.800 763 E CB -0.423 29.283 29.700 0.011 0.000 0.746 763 E HN 0.797 9.157 8.360 0.000 0.000 0.452 764 N N 0.727 119.429 118.700 0.004 0.000 2.013 764 N HA -0.164 4.575 4.740 -0.001 0.000 0.195 764 N C 1.758 177.280 175.510 0.019 0.000 1.051 764 N CA 0.910 53.953 53.050 -0.012 0.000 0.851 764 N CB -0.062 38.406 38.487 -0.032 0.000 1.044 764 N HN -0.005 8.375 8.380 0.000 0.000 0.422 765 L N 1.271 122.537 121.223 0.072 0.000 1.997 765 L HA -0.217 4.122 4.340 -0.001 0.000 0.216 765 L C 2.247 179.157 176.870 0.066 0.000 1.074 765 L CA 1.674 56.595 54.840 0.135 0.000 0.763 765 L CB -1.557 40.602 42.059 0.166 0.000 0.890 765 L HN 0.326 8.556 8.230 0.000 0.000 0.434 766 L N -1.053 120.193 121.223 0.039 0.000 2.046 766 L HA -0.186 4.153 4.340 -0.001 0.000 0.208 766 L C 2.593 179.395 176.870 -0.113 0.000 1.077 766 L CA 1.134 55.961 54.840 -0.021 0.000 0.747 766 L CB -0.605 41.454 42.059 0.001 0.000 0.896 766 L HN 0.223 8.453 8.230 0.000 0.000 0.432 767 S N -0.813 114.826 115.700 -0.101 0.000 2.368 767 S HA -0.160 4.309 4.470 -0.001 0.000 0.224 767 S C 2.034 176.577 174.600 -0.096 0.000 1.029 767 S CA 1.748 59.869 58.200 -0.131 0.000 0.988 767 S CB -0.333 62.820 63.200 -0.079 0.000 0.838 767 S HN 0.424 8.734 8.310 0.000 0.000 0.462 768 T N 3.013 117.535 114.554 -0.053 0.000 2.708 768 T HA 0.042 4.392 4.350 -0.001 0.000 0.266 768 T C 1.751 176.414 174.700 -0.062 0.000 1.037 768 T CA 0.948 63.033 62.100 -0.025 0.000 1.146 768 T CB -0.435 68.463 68.868 0.049 0.000 0.865 768 T HN 0.245 8.485 8.240 0.000 0.000 0.435 769 L N 1.011 122.164 121.223 -0.117 0.000 2.046 769 L HA -0.118 4.222 4.340 -0.001 0.000 0.208 769 L C 2.573 179.376 176.870 -0.111 0.000 1.077 769 L CA 1.016 55.736 54.840 -0.200 0.000 0.747 769 L CB -0.604 41.278 42.059 -0.295 0.000 0.896 769 L HN 0.208 8.438 8.230 0.000 0.000 0.432 770 N N 0.058 118.682 118.700 -0.127 0.000 2.166 770 N HA -0.180 4.560 4.740 -0.001 0.000 0.186 770 N C 1.896 177.382 175.510 -0.041 0.000 1.019 770 N CA 1.087 54.066 53.050 -0.117 0.000 0.856 770 N CB -0.210 38.078 38.487 -0.332 0.000 0.993 770 N HN 0.231 8.611 8.380 0.000 0.000 0.426 771 R N 0.211 120.684 120.500 -0.044 0.000 2.075 771 R HA -0.042 4.297 4.340 -0.001 0.000 0.232 771 R C 2.010 178.323 176.300 0.021 0.000 1.126 771 R CA 0.700 56.798 56.100 -0.003 0.000 0.963 771 R CB -0.365 29.933 30.300 -0.005 0.000 0.858 771 R HN 0.105 8.375 8.270 0.000 0.000 0.435 772 L N 0.877 122.105 121.223 0.007 0.000 2.013 772 L HA -0.153 4.187 4.340 -0.001 0.000 0.212 772 L C 2.221 179.127 176.870 0.059 0.000 1.073 772 L CA 2.272 57.127 54.840 0.026 0.000 0.753 772 L CB -0.905 41.144 42.059 -0.018 0.000 0.890 772 L HN 0.254 8.484 8.230 0.000 0.000 0.432 773 A N -0.545 122.316 122.820 0.069 0.000 1.892 773 A HA -0.152 4.167 4.320 -0.001 0.000 0.218 773 A C 2.377 180.045 177.584 0.140 0.000 1.188 773 A CA 1.880 54.005 52.037 0.147 0.000 0.631 773 A CB -1.682 17.450 19.000 0.220 0.000 0.822 773 A HN 0.559 8.709 8.150 0.000 0.000 0.447 774 G N -0.464 108.391 108.800 0.092 0.000 2.422 774 G HA2 -0.223 3.736 3.960 -0.001 0.000 0.218 774 G HA3 -0.223 3.736 3.960 -0.001 0.000 0.218 774 G C 1.646 176.591 174.900 0.076 0.000 1.146 774 G CA 1.086 46.228 45.100 0.070 0.000 0.769 774 G HN 0.473 8.763 8.290 0.000 0.000 0.547 775 K N 0.374 120.820 120.400 0.077 0.000 2.025 775 K HA -0.063 4.256 4.320 -0.001 0.000 0.207 775 K C 2.666 179.321 176.600 0.091 0.000 1.049 775 K CA 1.173 57.508 56.287 0.080 0.000 0.933 775 K CB -0.439 32.109 32.500 0.080 0.000 0.714 775 K HN 0.434 8.684 8.250 0.000 0.000 0.438 776 Q N -0.004 119.855 119.800 0.098 0.000 2.124 776 Q HA -0.040 4.300 4.340 -0.001 0.000 0.202 776 Q C 2.091 178.157 176.000 0.109 0.000 0.977 776 Q CA 0.985 56.847 55.803 0.099 0.000 0.850 776 Q CB -0.101 28.698 28.738 0.102 0.000 0.901 776 Q HN 0.193 8.463 8.270 0.000 0.000 0.429 777 M N 0.239 119.917 119.600 0.130 0.000 2.202 777 M HA -0.137 4.342 4.480 -0.001 0.000 0.262 777 M C 2.081 178.455 176.300 0.123 0.000 1.063 777 M CA 1.327 56.711 55.300 0.139 0.000 1.097 777 M CB -0.706 31.971 32.600 0.128 0.000 1.382 777 M HN 0.278 8.568 8.290 0.000 0.000 0.413 778 I N -0.171 120.462 120.570 0.105 0.000 2.226 778 I HA -0.310 3.859 4.170 -0.001 0.000 0.245 778 I C 2.446 178.636 176.117 0.123 0.000 1.100 778 I CA 1.077 62.439 61.300 0.103 0.000 1.374 778 I CB -0.547 37.506 38.000 0.088 0.000 1.057 778 I HN 0.318 8.528 8.210 0.000 0.000 0.413 779 Q N 0.373 120.245 119.800 0.120 0.000 2.167 779 Q HA -0.102 4.238 4.340 -0.001 0.000 0.202 779 Q C 2.520 178.629 176.000 0.182 0.000 0.970 779 Q CA 1.202 57.086 55.803 0.134 0.000 0.855 779 Q CB -0.524 28.275 28.738 0.100 0.000 0.911 779 Q HN 0.422 8.692 8.270 0.000 0.000 0.438 780 V N 0.430 120.443 119.914 0.165 0.000 2.295 780 V HA -0.208 3.911 4.120 -0.001 0.000 0.246 780 V C 2.507 178.823 176.094 0.370 0.000 1.049 780 V CA 1.370 63.819 62.300 0.248 0.000 1.024 780 V CB -0.706 31.229 31.823 0.186 0.000 0.648 780 V HN 0.085 8.275 8.190 0.000 0.000 0.447 781 V N 0.072 120.134 119.914 0.247 0.000 2.287 781 V HA -0.330 3.789 4.120 -0.001 0.000 0.248 781 V C 2.434 178.650 176.094 0.203 0.000 1.053 781 V CA 2.526 64.952 62.300 0.211 0.000 1.027 781 V CB -0.730 31.182 31.823 0.148 0.000 0.646 781 V HN 0.556 8.746 8.190 0.000 0.000 0.447 782 K N -1.187 119.331 120.400 0.195 0.000 2.057 782 K HA -0.266 4.053 4.320 -0.001 0.000 0.207 782 K C 2.045 178.771 176.600 0.210 0.000 1.049 782 K CA 2.043 58.433 56.287 0.172 0.000 0.931 782 K CB -0.319 32.276 32.500 0.157 0.000 0.714 782 K HN 0.589 8.839 8.250 0.000 0.000 0.440 783 W N 1.309 122.641 121.300 0.054 0.000 2.333 783 W HA -0.228 4.431 4.660 -0.001 0.000 0.316 783 W C 1.915 178.452 176.519 0.030 0.000 1.215 783 W CA 2.485 59.848 57.345 0.031 0.000 1.278 783 W CB -0.652 28.813 29.460 0.009 0.000 1.154 783 W HN 0.152 8.332 8.180 0.000 0.000 0.486 784 A N 1.621 124.424 122.820 -0.028 0.000 1.940 784 A HA -0.275 4.045 4.320 -0.001 0.000 0.219 784 A C 2.063 179.653 177.584 0.010 0.000 1.176 784 A CA 2.465 54.357 52.037 -0.242 0.000 0.631 784 A CB -1.100 17.949 19.000 0.083 0.000 0.814 784 A HN 0.565 8.715 8.150 0.000 0.000 0.446 785 K N 0.094 120.530 120.400 0.060 0.000 2.362 785 K HA -0.042 4.278 4.320 -0.001 0.000 0.200 785 K C 1.003 177.610 176.600 0.012 0.000 1.046 785 K CA 1.669 57.991 56.287 0.058 0.000 0.952 785 K CB -0.465 32.071 32.500 0.060 0.000 0.753 785 K HN 0.537 8.787 8.250 0.000 0.000 0.466 786 V N -0.929 118.962 119.914 -0.038 0.000 3.427 786 V HA 0.225 4.345 4.120 -0.001 0.000 0.305 786 V C 0.363 176.394 176.094 -0.106 0.000 1.412 786 V CA -0.787 61.487 62.300 -0.044 0.000 1.086 786 V CB -0.383 31.435 31.823 -0.008 0.000 0.964 786 V HN 0.087 8.277 8.190 0.000 0.000 0.439 787 L N 3.352 124.448 121.223 -0.213 0.000 2.418 787 L HA 0.521 4.861 4.340 -0.001 0.000 0.274 787 L C -2.384 174.456 176.870 -0.050 0.000 1.135 787 L CA -1.748 52.921 54.840 -0.285 0.000 0.870 787 L CB 0.351 42.017 42.059 -0.655 0.000 1.154 787 L HN 0.060 8.290 8.230 0.000 0.000 0.462 788 P HA 0.181 4.601 4.420 0.000 0.000 0.261 788 P C 0.694 178.070 177.300 0.128 0.000 1.183 788 P CA 1.096 64.230 63.100 0.056 0.000 0.761 788 P CB 0.621 32.348 31.700 0.045 0.000 0.785 789 G N 2.947 111.789 108.800 0.069 0.000 2.640 789 G HA2 -0.415 3.545 3.960 -0.001 0.000 0.226 789 G HA3 -0.415 3.545 3.960 -0.001 0.000 0.226 789 G C 0.990 175.961 174.900 0.119 0.000 1.222 789 G CA 0.347 45.496 45.100 0.081 0.000 0.729 789 G HN 0.478 8.768 8.290 0.000 0.000 0.516 790 F N 2.970 122.915 119.950 -0.010 0.000 2.075 790 F HA 0.203 4.729 4.527 -0.001 0.000 0.297 790 F C 2.967 178.737 175.800 -0.052 0.000 1.113 790 F CA 3.547 61.517 58.000 -0.051 0.000 1.218 790 F CB -0.570 38.341 39.000 -0.149 0.000 0.984 790 F HN 0.458 8.758 8.300 0.000 0.000 0.472 791 K N 0.555 120.969 120.400 0.023 0.000 2.589 791 K HA -0.092 4.228 4.320 -0.001 0.000 0.195 791 K C 1.395 177.932 176.600 -0.106 0.000 1.040 791 K CA 1.543 57.790 56.287 -0.067 0.000 0.950 791 K CB -2.485 30.013 32.500 -0.004 0.000 0.781 791 K HN 0.713 8.963 8.250 0.000 0.000 0.486 792 N N 0.689 119.323 118.700 -0.110 0.000 2.245 792 N HA 0.209 4.949 4.740 -0.001 0.000 0.185 792 N C 1.182 176.619 175.510 -0.122 0.000 1.036 792 N CA 0.647 53.643 53.050 -0.089 0.000 0.857 792 N CB -0.416 38.039 38.487 -0.054 0.000 1.015 792 N HN 0.471 8.851 8.380 0.000 0.000 0.436 793 L N 1.272 122.399 121.223 -0.161 0.000 2.517 793 L HA 0.162 4.501 4.340 -0.001 0.000 0.294 793 L C -1.884 174.882 176.870 -0.174 0.000 1.264 793 L CA -1.367 53.380 54.840 -0.156 0.000 0.839 793 L CB -0.623 41.324 42.059 -0.187 0.000 1.098 793 L HN 0.323 8.553 8.230 0.000 0.000 0.525 794 P HA -0.056 4.364 4.420 0.000 0.000 0.268 794 P C 0.792 178.018 177.300 -0.124 0.000 1.205 794 P CA -0.111 62.928 63.100 -0.102 0.000 0.771 794 P CB 0.954 32.612 31.700 -0.070 0.000 0.858 795 L N 2.525 123.688 121.223 -0.099 0.000 2.089 795 L HA -0.326 4.013 4.340 -0.001 0.000 0.213 795 L C 2.655 179.487 176.870 -0.063 0.000 1.079 795 L CA 2.858 57.647 54.840 -0.084 0.000 0.758 795 L CB -0.978 41.053 42.059 -0.045 0.000 0.891 795 L HN 0.494 8.724 8.230 0.000 0.000 0.433 796 E N 0.170 120.338 120.200 -0.053 0.000 2.021 796 E HA -0.343 4.007 4.350 -0.001 0.000 0.200 796 E C 1.835 178.409 176.600 -0.044 0.000 1.015 796 E CA 1.947 58.325 56.400 -0.038 0.000 0.824 796 E CB -1.258 28.418 29.700 -0.039 0.000 0.762 796 E HN 0.710 9.070 8.360 0.000 0.000 0.454 797 D N -0.004 120.352 120.400 -0.072 0.000 2.182 797 D HA -0.163 4.477 4.640 -0.001 0.000 0.201 797 D C 2.122 178.385 176.300 -0.061 0.000 0.986 797 D CA 1.416 55.369 54.000 -0.079 0.000 0.847 797 D CB -0.309 40.438 40.800 -0.088 0.000 0.942 797 D HN 0.587 8.957 8.370 0.000 0.000 0.467 798 Q N -0.199 119.516 119.800 -0.142 0.000 2.050 798 Q HA -0.102 4.237 4.340 -0.001 0.000 0.202 798 Q C 2.297 178.379 176.000 0.136 0.000 0.980 798 Q CA 0.665 56.367 55.803 -0.169 0.000 0.840 798 Q CB 0.120 28.652 28.738 -0.343 0.000 0.898 798 Q HN 0.252 8.522 8.270 0.000 0.000 0.424 799 I N 0.333 120.949 120.570 0.077 0.000 2.315 799 I HA -0.212 3.957 4.170 -0.001 0.000 0.248 799 I C 2.123 178.326 176.117 0.143 0.000 1.117 799 I CA 1.387 62.755 61.300 0.115 0.000 1.404 799 I CB -1.316 36.722 38.000 0.065 0.000 1.071 799 I HN 0.228 8.438 8.210 0.000 0.000 0.419 800 T N 1.683 116.298 114.554 0.102 0.000 2.708 800 T HA -0.102 4.247 4.350 -0.001 0.000 0.266 800 T C 2.129 176.918 174.700 0.149 0.000 1.037 800 T CA 1.133 63.294 62.100 0.102 0.000 1.146 800 T CB -0.305 68.537 68.868 -0.044 0.000 0.865 800 T HN 0.237 8.477 8.240 0.000 0.000 0.435 801 L N 0.209 121.528 121.223 0.160 0.000 2.141 801 L HA 0.018 4.357 4.340 -0.001 0.000 0.209 801 L C 2.311 179.351 176.870 0.285 0.000 1.094 801 L CA 0.988 55.961 54.840 0.221 0.000 0.763 801 L CB -0.512 41.774 42.059 0.379 0.000 0.908 801 L HN 0.289 8.519 8.230 0.000 0.000 0.437 802 I N -0.932 119.824 120.570 0.310 0.000 2.439 802 I HA -0.229 3.940 4.170 -0.001 0.000 0.251 802 I C 2.404 178.694 176.117 0.289 0.000 1.139 802 I CA 1.021 62.492 61.300 0.285 0.000 1.438 802 I CB -0.150 38.014 38.000 0.273 0.000 1.085 802 I HN 0.303 8.513 8.210 0.000 0.000 0.427 803 Q N -0.492 119.473 119.800 0.275 0.000 2.311 803 Q HA -0.127 4.212 4.340 -0.001 0.000 0.203 803 Q C 1.609 177.798 176.000 0.315 0.000 0.954 803 Q CA 1.160 57.094 55.803 0.219 0.000 0.885 803 Q CB 0.208 29.037 28.738 0.152 0.000 0.963 803 Q HN 0.505 8.775 8.270 0.000 0.000 0.471 804 Y N -1.039 119.367 120.300 0.176 0.000 2.503 804 Y HA 0.009 4.558 4.550 -0.001 0.000 0.278 804 Y C 2.075 178.066 175.900 0.152 0.000 1.111 804 Y CA 0.797 58.993 58.100 0.160 0.000 1.270 804 Y CB 0.636 39.134 38.460 0.064 0.000 1.063 804 Y HN 0.060 8.340 8.280 0.000 0.000 0.548 805 S N -0.615 115.271 115.700 0.310 0.000 2.578 805 S HA -0.024 4.445 4.470 -0.001 0.000 0.231 805 S C 1.546 176.223 174.600 0.129 0.000 0.994 805 S CA -0.511 57.779 58.200 0.151 0.000 0.956 805 S CB -0.966 62.302 63.200 0.115 0.000 0.870 805 S HN 0.576 8.886 8.310 0.000 0.000 0.494 806 W N 1.368 122.700 121.300 0.053 0.000 2.338 806 W HA -0.071 4.589 4.660 -0.001 0.000 0.304 806 W C 1.386 177.922 176.519 0.028 0.000 1.212 806 W CA 0.714 58.085 57.345 0.043 0.000 1.264 806 W CB -1.025 28.465 29.460 0.049 0.000 1.142 806 W HN 0.249 8.429 8.180 0.000 0.000 0.512 807 M N 1.188 120.141 119.600 -1.079 0.000 2.175 807 M HA -0.121 4.358 4.480 -0.001 0.000 0.264 807 M C 2.191 178.254 176.300 -0.395 0.000 1.063 807 M CA 1.502 56.209 55.300 -0.988 0.000 1.119 807 M CB -1.435 30.588 32.600 -0.962 0.000 1.377 807 M HN 0.099 8.389 8.290 0.000 0.000 0.415 808 C N 0.147 119.298 119.300 -0.249 0.000 2.436 808 C HA -0.155 4.304 4.460 -0.001 0.000 0.277 808 C C 2.826 177.786 174.990 -0.050 0.000 1.241 808 C CA 0.569 59.518 59.018 -0.116 0.000 1.721 808 C CB -1.281 26.402 27.740 -0.096 0.000 2.043 808 C HN 0.490 8.720 8.230 0.000 0.000 0.472 809 L N 0.452 121.641 121.223 -0.056 0.000 1.989 809 L HA -0.190 4.150 4.340 -0.001 0.000 0.211 809 L C 2.587 179.471 176.870 0.024 0.000 1.071 809 L CA 1.621 56.445 54.840 -0.027 0.000 0.749 809 L CB -0.708 41.319 42.059 -0.053 0.000 0.890 809 L HN 0.399 8.629 8.230 0.000 0.000 0.431 810 L N -0.586 120.632 121.223 -0.008 0.000 2.093 810 L HA -0.153 4.187 4.340 -0.001 0.000 0.208 810 L C 2.883 179.779 176.870 0.043 0.000 1.085 810 L CA 1.409 56.264 54.840 0.025 0.000 0.755 810 L CB -0.708 41.363 42.059 0.020 0.000 0.904 810 L HN 0.393 8.623 8.230 0.000 0.000 0.435 811 S N -0.239 115.465 115.700 0.008 0.000 2.387 811 S HA -0.189 4.280 4.470 -0.001 0.000 0.226 811 S C 1.972 176.642 174.600 0.118 0.000 1.026 811 S CA 0.642 58.856 58.200 0.023 0.000 0.972 811 S CB -0.748 62.439 63.200 -0.022 0.000 0.814 811 S HN 0.325 8.635 8.310 0.000 0.000 0.477 812 F N 2.920 122.888 119.950 0.031 0.000 2.186 812 F HA 0.222 4.749 4.527 -0.001 0.000 0.299 812 F C 2.534 178.500 175.800 0.277 0.000 1.090 812 F CA 0.461 58.554 58.000 0.156 0.000 1.307 812 F CB -0.868 38.231 39.000 0.166 0.000 1.019 812 F HN 0.305 8.605 8.300 0.000 0.000 0.489 813 A N 0.050 123.067 122.820 0.328 0.000 1.930 813 A HA -0.117 4.203 4.320 -0.001 0.000 0.217 813 A C 2.077 179.753 177.584 0.154 0.000 1.175 813 A CA 1.495 53.716 52.037 0.306 0.000 0.627 813 A CB -1.164 17.972 19.000 0.227 0.000 0.815 813 A HN 0.461 8.611 8.150 0.000 0.000 0.443 814 L N -0.148 121.105 121.223 0.050 0.000 2.046 814 L HA -0.100 4.240 4.340 -0.001 0.000 0.208 814 L C 2.384 179.158 176.870 -0.160 0.000 1.077 814 L CA 2.764 57.556 54.840 -0.080 0.000 0.747 814 L CB -1.136 40.813 42.059 -0.183 0.000 0.896 814 L HN 0.282 8.512 8.230 0.000 0.000 0.432 815 S N -0.924 114.646 115.700 -0.216 0.000 2.370 815 S HA -0.264 4.205 4.470 -0.001 0.000 0.226 815 S C 1.779 176.109 174.600 -0.451 0.000 1.033 815 S CA 1.504 59.410 58.200 -0.489 0.000 1.011 815 S CB -0.734 62.024 63.200 -0.737 0.000 0.852 815 S HN 0.733 9.043 8.310 0.000 0.000 0.457 816 W N 2.001 123.100 121.300 -0.335 0.000 2.378 816 W HA -0.111 4.548 4.660 -0.001 0.000 0.313 816 W C 2.181 178.588 176.519 -0.187 0.000 1.197 816 W CA 1.202 58.412 57.345 -0.225 0.000 1.304 816 W CB -0.451 28.527 29.460 -0.803 0.000 1.148 816 W HN 0.316 8.496 8.180 0.000 0.000 0.494 817 R N 0.284 120.688 120.500 -0.159 0.000 2.083 817 R HA -0.147 4.192 4.340 -0.001 0.000 0.237 817 R C 2.468 178.612 176.300 -0.260 0.000 1.137 817 R CA 2.070 58.068 56.100 -0.170 0.000 0.951 817 R CB -0.861 29.540 30.300 0.167 0.000 0.851 817 R HN 0.042 8.312 8.270 0.000 0.000 0.434 818 S N 0.095 115.700 115.700 -0.157 0.000 2.400 818 S HA -0.185 4.285 4.470 -0.001 0.000 0.232 818 S C 1.524 176.008 174.600 -0.195 0.000 1.025 818 S CA 1.288 59.416 58.200 -0.120 0.000 0.993 818 S CB -0.295 62.821 63.200 -0.141 0.000 0.808 818 S HN 0.404 8.714 8.310 0.000 0.000 0.478 819 Y N 2.452 122.494 120.300 -0.429 0.000 2.206 819 Y HA 0.004 4.553 4.550 -0.001 0.000 0.292 819 Y C 2.434 177.999 175.900 -0.560 0.000 1.123 819 Y CA 1.741 59.582 58.100 -0.432 0.000 1.142 819 Y CB -0.995 37.265 38.460 -0.333 0.000 1.006 819 Y HN 0.140 8.420 8.280 0.000 0.000 0.518 820 K N 0.057 119.801 120.400 -1.093 0.000 2.026 820 K HA -0.137 4.182 4.320 -0.001 0.000 0.208 820 K C 1.994 178.008 176.600 -0.977 0.000 1.048 820 K CA 2.045 57.571 56.287 -1.270 0.000 0.929 820 K CB -1.444 30.186 32.500 -1.450 0.000 0.713 820 K HN 0.698 8.948 8.250 0.000 0.000 0.439 821 H N -0.314 118.338 119.070 -0.696 0.000 2.415 821 H HA 0.004 4.559 4.556 -0.001 0.000 0.297 821 H C 1.593 176.705 175.328 -0.360 0.000 1.048 821 H CA 1.942 57.620 56.048 -0.616 0.000 1.365 821 H CB 0.475 29.555 29.762 -1.136 0.000 1.421 821 H HN 0.643 8.923 8.280 0.000 0.000 0.533 822 T N -2.429 112.021 114.554 -0.172 0.000 3.231 822 T HA 0.084 4.434 4.350 -0.001 0.000 0.292 822 T C 0.277 174.879 174.700 -0.163 0.000 1.001 822 T CA -0.150 61.912 62.100 -0.063 0.000 0.920 822 T CB -0.360 68.587 68.868 0.132 0.000 1.140 822 T HN 0.121 8.361 8.240 0.000 0.000 0.525 823 N N 1.679 120.237 118.700 -0.236 0.000 2.727 823 N HA -0.236 4.504 4.740 -0.001 0.000 0.249 823 N C 0.042 175.486 175.510 -0.109 0.000 1.048 823 N CA 0.934 53.867 53.050 -0.195 0.000 0.714 823 N CB -2.011 36.375 38.487 -0.167 0.000 0.959 823 N HN 0.563 8.943 8.380 0.000 0.000 0.544 824 S N -1.973 113.666 115.700 -0.102 0.000 3.682 824 S HA -0.293 4.176 4.470 -0.001 0.000 0.354 824 S C 0.859 175.403 174.600 -0.094 0.000 1.034 824 S CA 1.141 59.278 58.200 -0.106 0.000 1.084 824 S CB -1.190 61.934 63.200 -0.127 0.000 0.903 824 S HN 0.803 9.113 8.310 0.000 0.000 0.470 825 Q N -1.386 118.293 119.800 -0.201 0.000 2.394 825 Q HA 0.348 4.687 4.340 -0.001 0.000 0.218 825 Q C 0.013 175.655 176.000 -0.596 0.000 0.907 825 Q CA 0.739 56.277 55.803 -0.443 0.000 0.919 825 Q CB 0.455 28.697 28.738 -0.828 0.000 1.051 825 Q HN 0.566 8.836 8.270 0.000 0.000 0.538 826 F N -0.593 119.385 119.950 0.047 0.000 2.679 826 F HA 0.448 4.974 4.527 -0.001 0.000 0.341 826 F C -0.660 175.131 175.800 -0.015 0.000 1.095 826 F CA -1.115 56.880 58.000 -0.008 0.000 1.004 826 F CB 0.897 39.912 39.000 0.026 0.000 1.388 826 F HN -0.251 8.049 8.300 0.000 0.000 0.505 827 L N 1.562 122.878 121.223 0.156 0.000 2.277 827 L HA 0.265 4.604 4.340 -0.001 0.000 0.284 827 L C -1.276 175.466 176.870 -0.212 0.000 1.028 827 L CA -0.607 54.141 54.840 -0.154 0.000 0.835 827 L CB 0.642 42.480 42.059 -0.368 0.000 1.215 827 L HN 0.555 8.785 8.230 0.000 0.000 0.425 828 Y N 3.591 123.725 120.300 -0.277 0.000 2.632 828 Y HA 0.132 4.682 4.550 -0.001 0.000 0.336 828 Y C 0.749 176.497 175.900 -0.255 0.000 1.237 828 Y CA -0.024 57.961 58.100 -0.191 0.000 1.595 828 Y CB -0.014 38.383 38.460 -0.105 0.000 1.508 828 Y HN 0.485 8.765 8.280 0.000 0.000 0.480 829 F N 2.468 122.265 119.950 -0.255 0.000 2.206 829 F HA 0.117 4.643 4.527 -0.001 0.000 0.298 829 F C 1.386 177.040 175.800 -0.244 0.000 1.090 829 F CA 1.006 58.860 58.000 -0.243 0.000 1.323 829 F CB 0.049 38.840 39.000 -0.349 0.000 1.028 829 F HN 0.432 8.732 8.300 0.000 0.000 0.492 830 A N -1.813 120.844 122.820 -0.272 0.000 2.597 830 A HA 0.445 4.764 4.320 -0.001 0.000 0.292 830 A C -2.167 174.988 177.584 -0.716 0.000 1.057 830 A CA -1.077 50.737 52.037 -0.372 0.000 0.674 830 A CB 0.196 19.090 19.000 -0.177 0.000 1.278 830 A HN -0.168 7.982 8.150 0.000 0.000 0.416 831 P HA -0.188 4.232 4.420 0.000 0.000 0.216 831 P C 0.506 177.639 177.300 -0.278 0.000 1.157 831 P CA 2.114 64.957 63.100 -0.429 0.000 0.880 831 P CB 0.056 31.576 31.700 -0.301 0.000 0.791 832 D N -1.798 118.523 120.400 -0.132 0.000 2.325 832 D HA 0.075 4.715 4.640 -0.001 0.000 0.225 832 D C 0.115 176.357 176.300 -0.097 0.000 1.096 832 D CA 0.059 54.048 54.000 -0.017 0.000 0.844 832 D CB -0.415 40.491 40.800 0.177 0.000 0.925 832 D HN 0.108 8.478 8.370 0.000 0.000 0.513 833 L N 0.728 121.840 121.223 -0.185 0.000 2.490 833 L HA 0.299 4.638 4.340 -0.001 0.000 0.261 833 L C -1.686 175.143 176.870 -0.068 0.000 1.232 833 L CA -0.683 54.090 54.840 -0.113 0.000 0.892 833 L CB 1.616 43.661 42.059 -0.022 0.000 1.085 833 L HN -0.199 8.031 8.230 0.000 0.000 0.491 834 V N 3.974 123.845 119.914 -0.072 0.000 2.384 834 V HA 0.484 4.603 4.120 -0.001 0.000 0.287 834 V C -0.156 176.072 176.094 0.224 0.000 1.020 834 V CA -0.448 61.842 62.300 -0.018 0.000 0.850 834 V CB 1.361 33.104 31.823 -0.134 0.000 0.987 834 V HN 0.323 8.513 8.190 0.000 0.000 0.436 835 F N 4.021 123.979 119.950 0.014 0.000 2.385 835 F HA 0.469 4.996 4.527 -0.001 0.000 0.336 835 F C 0.656 176.452 175.800 -0.007 0.000 1.100 835 F CA -0.560 57.461 58.000 0.035 0.000 1.116 835 F CB 1.113 40.234 39.000 0.201 0.000 1.166 835 F HN 0.517 8.817 8.300 0.000 0.000 0.511 836 N N 1.153 119.882 118.700 0.049 0.000 2.890 836 N HA 0.144 4.883 4.740 -0.001 0.000 0.317 836 N C 0.767 176.325 175.510 0.080 0.000 1.355 836 N CA -0.395 52.684 53.050 0.049 0.000 0.803 836 N CB 1.403 39.828 38.487 -0.104 0.000 1.465 836 N HN 0.489 8.869 8.380 0.000 0.000 0.591 837 E N 0.556 120.833 120.200 0.128 0.000 2.171 837 E HA -0.244 4.105 4.350 -0.001 0.000 0.197 837 E C 1.223 177.981 176.600 0.265 0.000 0.997 837 E CA 1.300 57.830 56.400 0.216 0.000 0.810 837 E CB 0.068 29.908 29.700 0.233 0.000 0.738 837 E HN 0.681 9.041 8.360 0.000 0.000 0.467 838 E N 0.955 121.231 120.200 0.127 0.000 2.028 838 E HA -0.151 4.198 4.350 -0.001 0.000 0.190 838 E C 1.985 178.585 176.600 0.001 0.000 0.984 838 E CA 0.678 57.131 56.400 0.088 0.000 0.800 838 E CB 0.105 29.801 29.700 -0.007 0.000 0.758 838 E HN -0.109 8.251 8.360 0.000 0.000 0.448 839 K N 0.349 120.640 120.400 -0.182 0.000 2.152 839 K HA -0.102 4.218 4.320 -0.001 0.000 0.206 839 K C 2.108 178.468 176.600 -0.400 0.000 1.048 839 K CA 1.299 57.273 56.287 -0.521 0.000 0.933 839 K CB -0.258 31.620 32.500 -1.036 0.000 0.721 839 K HN 0.366 8.616 8.250 0.000 0.000 0.447 840 M N -0.544 119.015 119.600 -0.068 0.000 2.279 840 M HA -0.169 4.311 4.480 -0.001 0.000 0.264 840 M C 1.801 178.171 176.300 0.117 0.000 1.062 840 M CA 1.281 56.650 55.300 0.114 0.000 1.099 840 M CB -0.168 32.466 32.600 0.057 0.000 1.394 840 M HN 0.191 8.481 8.290 0.000 0.000 0.426 841 H N -0.405 118.760 119.070 0.158 0.000 2.399 841 H HA 0.020 4.576 4.556 -0.001 0.000 0.300 841 H C 2.137 177.492 175.328 0.045 0.000 1.048 841 H CA 0.934 57.047 56.048 0.107 0.000 1.370 841 H CB 0.044 29.814 29.762 0.012 0.000 1.428 841 H HN 0.387 8.667 8.280 0.000 0.000 0.534 842 Q N 0.771 120.634 119.800 0.106 0.000 2.061 842 Q HA -0.110 4.229 4.340 -0.001 0.000 0.204 842 Q C 2.277 178.319 176.000 0.070 0.000 0.984 842 Q CA 1.632 57.462 55.803 0.044 0.000 0.846 842 Q CB -0.673 28.040 28.738 -0.041 0.000 0.902 842 Q HN 0.434 8.704 8.270 0.000 0.000 0.421 843 S N 0.343 116.089 115.700 0.076 0.000 2.547 843 S HA 0.203 4.672 4.470 -0.001 0.000 0.235 843 S C 1.079 175.785 174.600 0.178 0.000 0.980 843 S CA 0.561 58.851 58.200 0.151 0.000 0.941 843 S CB -0.335 63.022 63.200 0.262 0.000 0.763 843 S HN 0.461 8.771 8.310 0.000 0.000 0.532 844 A N 0.383 123.298 122.820 0.157 0.000 2.687 844 A HA -0.195 4.125 4.320 -0.001 0.000 0.299 844 A C 0.481 178.134 177.584 0.115 0.000 1.497 844 A CA 1.342 53.474 52.037 0.159 0.000 0.751 844 A CB -2.320 16.791 19.000 0.185 0.000 1.048 844 A HN 0.882 9.032 8.150 0.000 0.000 0.464 845 M N -1.673 117.967 119.600 0.067 0.000 3.615 845 M HA 0.264 4.743 4.480 -0.001 0.000 0.484 845 M C 0.590 176.855 176.300 -0.060 0.000 1.686 845 M CA -0.209 55.040 55.300 -0.084 0.000 0.713 845 M CB 0.228 32.832 32.600 0.007 0.000 1.471 845 M HN 0.531 8.821 8.290 0.000 0.000 0.538 846 Y N 1.250 121.465 120.300 -0.142 0.000 2.053 846 Y HA -0.285 4.265 4.550 -0.001 0.000 0.277 846 Y C 2.015 177.831 175.900 -0.141 0.000 1.159 846 Y CA 2.481 60.461 58.100 -0.201 0.000 1.125 846 Y CB 0.315 38.559 38.460 -0.359 0.000 0.969 846 Y HN 0.350 8.630 8.280 0.000 0.000 0.492 847 E N -0.267 119.906 120.200 -0.045 0.000 2.110 847 E HA -0.185 4.164 4.350 -0.001 0.000 0.193 847 E C 2.153 178.659 176.600 -0.157 0.000 0.988 847 E CA 0.928 57.276 56.400 -0.087 0.000 0.804 847 E CB -0.506 29.198 29.700 0.007 0.000 0.745 847 E HN 0.415 8.775 8.360 0.000 0.000 0.458 848 L N 0.373 121.495 121.223 -0.169 0.000 2.141 848 L HA -0.124 4.215 4.340 -0.001 0.000 0.209 848 L C 2.274 179.067 176.870 -0.129 0.000 1.094 848 L CA 1.227 55.974 54.840 -0.155 0.000 0.763 848 L CB -0.441 41.483 42.059 -0.225 0.000 0.908 848 L HN 0.129 8.359 8.230 0.000 0.000 0.437 849 C N -1.748 117.454 119.300 -0.164 0.000 2.475 849 C HA -0.095 4.365 4.460 -0.001 0.000 0.279 849 C C 2.711 177.592 174.990 -0.182 0.000 1.322 849 C CA 0.366 59.305 59.018 -0.132 0.000 1.734 849 C CB -0.535 27.144 27.740 -0.102 0.000 2.005 849 C HN 0.582 8.812 8.230 0.000 0.000 0.495 850 Q N 0.904 120.518 119.800 -0.310 0.000 2.170 850 Q HA -0.106 4.234 4.340 -0.001 0.000 0.203 850 Q C 2.219 178.171 176.000 -0.081 0.000 0.976 850 Q CA 1.876 57.543 55.803 -0.226 0.000 0.858 850 Q CB -0.365 28.181 28.738 -0.321 0.000 0.907 850 Q HN 0.720 8.990 8.270 0.000 0.000 0.433 851 G N 1.096 109.837 108.800 -0.098 0.000 2.459 851 G HA2 -0.303 3.656 3.960 -0.001 0.000 0.217 851 G HA3 -0.303 3.656 3.960 -0.001 0.000 0.217 851 G C 1.279 176.138 174.900 -0.069 0.000 1.183 851 G CA 1.081 46.141 45.100 -0.067 0.000 0.776 851 G HN 0.335 8.625 8.290 0.000 0.000 0.552 852 M N 0.105 119.659 119.600 -0.077 0.000 2.229 852 M HA 0.050 4.529 4.480 -0.001 0.000 0.264 852 M C 2.116 178.336 176.300 -0.133 0.000 1.063 852 M CA 1.435 56.673 55.300 -0.105 0.000 1.114 852 M CB -0.793 31.739 32.600 -0.113 0.000 1.387 852 M HN 0.445 8.735 8.290 0.000 0.000 0.420 853 H N -0.224 118.731 119.070 -0.191 0.000 2.387 853 H HA -0.131 4.424 4.556 -0.001 0.000 0.299 853 H C 1.766 176.987 175.328 -0.179 0.000 1.099 853 H CA 2.118 58.050 56.048 -0.193 0.000 1.315 853 H CB 0.034 29.694 29.762 -0.171 0.000 1.380 853 H HN 0.417 8.697 8.280 0.000 0.000 0.513 854 Q N -0.224 119.439 119.800 -0.228 0.000 2.172 854 Q HA -0.080 4.260 4.340 -0.001 0.000 0.200 854 Q C 2.436 178.302 176.000 -0.223 0.000 0.964 854 Q CA 0.766 56.424 55.803 -0.242 0.000 0.855 854 Q CB 0.045 28.713 28.738 -0.116 0.000 0.918 854 Q HN 0.525 8.795 8.270 0.000 0.000 0.444 855 I N 1.238 121.687 120.570 -0.201 0.000 2.142 855 I HA -0.240 3.929 4.170 -0.001 0.000 0.240 855 I C 2.485 178.377 176.117 -0.375 0.000 1.078 855 I CA 1.744 62.932 61.300 -0.186 0.000 1.343 855 I CB -1.557 36.353 38.000 -0.151 0.000 1.046 855 I HN 0.189 8.399 8.210 0.000 0.000 0.405 856 S N 1.156 116.516 115.700 -0.567 0.000 2.400 856 S HA -0.139 4.330 4.470 -0.001 0.000 0.232 856 S C 2.075 176.414 174.600 -0.434 0.000 1.025 856 S CA 0.944 58.691 58.200 -0.754 0.000 0.993 856 S CB -0.941 61.929 63.200 -0.550 0.000 0.808 856 S HN 0.447 8.757 8.310 0.000 0.000 0.478 857 L N 0.758 121.757 121.223 -0.374 0.000 2.141 857 L HA -0.079 4.260 4.340 -0.001 0.000 0.209 857 L C 2.996 179.775 176.870 -0.151 0.000 1.094 857 L CA 1.326 56.002 54.840 -0.274 0.000 0.763 857 L CB -0.573 41.293 42.059 -0.321 0.000 0.908 857 L HN 0.415 8.645 8.230 0.000 0.000 0.437 858 Q N -1.077 118.660 119.800 -0.105 0.000 2.297 858 Q HA -0.137 4.202 4.340 -0.001 0.000 0.204 858 Q C 2.065 178.087 176.000 0.037 0.000 0.962 858 Q CA 0.970 56.766 55.803 -0.011 0.000 0.879 858 Q CB 0.058 28.820 28.738 0.039 0.000 0.947 858 Q HN 0.360 8.630 8.270 0.000 0.000 0.462 859 F N -0.357 119.372 119.950 -0.368 0.000 2.146 859 F HA -0.171 4.355 4.527 -0.001 0.000 0.298 859 F C 2.182 177.528 175.800 -0.757 0.000 1.096 859 F CA 0.543 58.137 58.000 -0.676 0.000 1.275 859 F CB -0.722 37.659 39.000 -1.031 0.000 1.008 859 F HN -0.136 8.164 8.300 0.000 0.000 0.480 860 V N -0.327 119.431 119.914 -0.261 0.000 2.270 860 V HA -0.264 3.855 4.120 -0.001 0.000 0.245 860 V C 2.538 178.615 176.094 -0.030 0.000 1.043 860 V CA 1.702 63.989 62.300 -0.022 0.000 1.014 860 V CB -0.565 31.287 31.823 0.049 0.000 0.645 860 V HN 0.082 8.272 8.190 0.000 0.000 0.447 861 R N 0.059 120.529 120.500 -0.049 0.000 2.096 861 R HA -0.098 4.241 4.340 -0.001 0.000 0.240 861 R C 2.063 178.342 176.300 -0.034 0.000 1.139 861 R CA 1.638 57.718 56.100 -0.033 0.000 0.952 861 R CB -0.880 29.400 30.300 -0.034 0.000 0.854 861 R HN 0.455 8.725 8.270 0.000 0.000 0.436 862 L N -0.167 121.018 121.223 -0.063 0.000 2.478 862 L HA 0.011 4.351 4.340 -0.001 0.000 0.223 862 L C 0.160 176.992 176.870 -0.062 0.000 1.140 862 L CA 0.066 54.866 54.840 -0.066 0.000 0.842 862 L CB -0.055 41.944 42.059 -0.099 0.000 0.953 862 L HN 0.231 8.461 8.230 0.000 0.000 0.452 863 Q N 0.624 120.387 119.800 -0.061 0.000 2.460 863 Q HA -0.202 4.138 4.340 -0.001 0.000 0.311 863 Q C -0.356 175.657 176.000 0.021 0.000 1.396 863 Q CA 0.452 56.274 55.803 0.032 0.000 0.838 863 Q CB -1.776 26.991 28.738 0.049 0.000 1.140 863 Q HN 0.227 8.497 8.270 0.000 0.000 0.415 864 L N 0.822 121.958 121.223 -0.145 0.000 2.540 864 L HA 0.101 4.441 4.340 -0.001 0.000 0.276 864 L C 1.052 178.055 176.870 0.221 0.000 1.212 864 L CA 1.403 56.176 54.840 -0.112 0.000 0.893 864 L CB 0.578 42.339 42.059 -0.497 0.000 1.138 864 L HN 0.402 8.632 8.230 0.000 0.000 0.491 865 T N 1.554 116.222 114.554 0.191 0.000 2.918 865 T HA 0.203 4.552 4.350 -0.001 0.000 0.283 865 T C 1.006 175.911 174.700 0.342 0.000 1.001 865 T CA -0.462 61.814 62.100 0.293 0.000 1.041 865 T CB 0.585 69.553 68.868 0.167 0.000 1.028 865 T HN 0.436 8.676 8.240 0.000 0.000 0.511 866 F N 1.947 122.030 119.950 0.223 0.000 2.126 866 F HA -0.053 4.473 4.527 -0.001 0.000 0.299 866 F C 2.352 178.103 175.800 -0.083 0.000 1.096 866 F CA 1.880 59.873 58.000 -0.012 0.000 1.255 866 F CB -0.561 38.527 39.000 0.148 0.000 0.997 866 F HN 0.865 9.165 8.300 0.000 0.000 0.479 867 E N -0.692 119.487 120.200 -0.036 0.000 2.274 867 E HA -0.178 4.172 4.350 -0.001 0.000 0.194 867 E C 1.750 178.269 176.600 -0.135 0.000 0.996 867 E CA 1.305 57.606 56.400 -0.165 0.000 0.840 867 E CB -0.588 29.080 29.700 -0.054 0.000 0.772 867 E HN 0.560 8.920 8.360 0.000 0.000 0.491 868 E N 0.402 120.560 120.200 -0.070 0.000 2.112 868 E HA -0.145 4.204 4.350 -0.001 0.000 0.190 868 E C 1.759 178.297 176.600 -0.102 0.000 0.979 868 E CA 0.745 57.102 56.400 -0.072 0.000 0.814 868 E CB -0.229 29.443 29.700 -0.047 0.000 0.762 868 E HN 0.268 8.628 8.360 0.000 0.000 0.460 869 Y N 2.315 122.439 120.300 -0.294 0.000 2.097 869 Y HA -0.288 4.261 4.550 -0.001 0.000 0.282 869 Y C 2.608 178.344 175.900 -0.274 0.000 1.152 869 Y CA 2.253 60.131 58.100 -0.370 0.000 1.136 869 Y CB -0.883 37.008 38.460 -0.947 0.000 0.975 869 Y HN 0.069 8.349 8.280 0.000 0.000 0.498 870 T N -1.204 112.991 114.554 -0.598 0.000 2.720 870 T HA -0.262 4.087 4.350 -0.001 0.000 0.268 870 T C 2.011 176.514 174.700 -0.328 0.000 1.037 870 T CA 2.109 63.871 62.100 -0.564 0.000 1.144 870 T CB -1.018 67.559 68.868 -0.486 0.000 0.864 870 T HN 0.456 8.696 8.240 0.000 0.000 0.444 871 I N 0.411 120.852 120.570 -0.215 0.000 2.353 871 I HA -0.012 4.157 4.170 -0.001 0.000 0.248 871 I C 2.795 178.810 176.117 -0.171 0.000 1.119 871 I CA 1.112 62.343 61.300 -0.116 0.000 1.417 871 I CB -0.273 37.719 38.000 -0.014 0.000 1.078 871 I HN 0.218 8.428 8.210 0.000 0.000 0.421 872 M N 0.104 119.597 119.600 -0.179 0.000 2.229 872 M HA -0.224 4.255 4.480 -0.001 0.000 0.264 872 M C 2.280 178.395 176.300 -0.308 0.000 1.063 872 M CA 1.628 56.805 55.300 -0.206 0.000 1.114 872 M CB -0.235 32.323 32.600 -0.070 0.000 1.387 872 M HN 0.044 8.334 8.290 0.000 0.000 0.420 873 K N 0.270 120.497 120.400 -0.288 0.000 2.097 873 K HA -0.098 4.222 4.320 -0.001 0.000 0.205 873 K C 1.531 178.011 176.600 -0.200 0.000 1.050 873 K CA 1.148 57.255 56.287 -0.299 0.000 0.938 873 K CB 0.009 32.254 32.500 -0.424 0.000 0.718 873 K HN 0.126 8.376 8.250 0.000 0.000 0.442 874 V N 1.566 121.356 119.914 -0.207 0.000 2.343 874 V HA -0.240 3.879 4.120 -0.001 0.000 0.247 874 V C 2.266 178.185 176.094 -0.291 0.000 1.051 874 V CA 1.619 63.741 62.300 -0.297 0.000 1.036 874 V CB -0.449 30.899 31.823 -0.791 0.000 0.654 874 V HN 0.321 8.511 8.190 0.000 0.000 0.451 875 L N -0.814 120.263 121.223 -0.244 0.000 2.131 875 L HA -0.175 4.164 4.340 -0.001 0.000 0.210 875 L C 2.353 179.179 176.870 -0.073 0.000 1.092 875 L CA 1.362 56.135 54.840 -0.112 0.000 0.759 875 L CB -0.416 41.626 42.059 -0.027 0.000 0.903 875 L HN 0.316 8.546 8.230 0.000 0.000 0.435 876 L N -0.856 120.281 121.223 -0.144 0.000 2.217 876 L HA -0.180 4.160 4.340 -0.001 0.000 0.211 876 L C 2.358 179.211 176.870 -0.028 0.000 1.107 876 L CA 0.324 55.101 54.840 -0.105 0.000 0.783 876 L CB -0.190 41.722 42.059 -0.246 0.000 0.919 876 L HN 0.265 8.495 8.230 0.000 0.000 0.442 877 L N -0.104 121.099 121.223 -0.033 0.000 2.201 877 L HA -0.102 4.238 4.340 -0.001 0.000 0.212 877 L C 1.409 178.331 176.870 0.087 0.000 1.105 877 L CA 1.784 56.633 54.840 0.015 0.000 0.775 877 L CB -0.179 41.846 42.059 -0.058 0.000 0.913 877 L HN 0.156 8.386 8.230 0.000 0.000 0.440 878 L N -1.334 119.942 121.223 0.089 0.000 2.984 878 L HA 0.294 4.633 4.340 -0.001 0.000 0.246 878 L C 1.392 178.430 176.870 0.281 0.000 1.268 878 L CA -0.105 54.902 54.840 0.279 0.000 1.054 878 L CB -0.208 41.861 42.059 0.016 0.000 1.393 878 L HN -0.024 8.206 8.230 0.000 0.000 0.532 879 S N -0.916 114.879 115.700 0.158 0.000 2.492 879 S HA 0.113 4.582 4.470 -0.001 0.000 0.218 879 S C 0.832 175.469 174.600 0.061 0.000 1.016 879 S CA 0.351 58.623 58.200 0.120 0.000 0.916 879 S CB 0.457 63.774 63.200 0.196 0.000 0.791 879 S HN 0.392 8.702 8.310 0.000 0.000 0.513 880 T N 2.849 117.420 114.554 0.029 0.000 2.841 880 T HA 0.715 5.065 4.350 -0.001 0.000 0.283 880 T C -0.480 174.151 174.700 -0.114 0.000 1.000 880 T CA -0.563 61.519 62.100 -0.030 0.000 0.977 880 T CB 1.581 70.455 68.868 0.011 0.000 0.979 880 T HN 0.303 8.543 8.240 0.000 0.000 0.446 881 I N -0.347 120.095 120.570 -0.212 0.000 2.894 881 I HA 0.683 4.852 4.170 -0.001 0.000 0.302 881 I C -3.249 172.621 176.117 -0.412 0.000 1.188 881 I CA -3.505 57.533 61.300 -0.436 0.000 1.014 881 I CB 2.374 40.077 38.000 -0.495 0.000 1.242 881 I HN 0.274 8.484 8.210 0.000 0.000 0.430 882 P HA 0.180 4.600 4.420 0.000 0.000 0.268 882 P C 0.620 177.835 177.300 -0.141 0.000 1.204 882 P CA 0.078 62.988 63.100 -0.317 0.000 0.768 882 P CB 0.939 32.443 31.700 -0.326 0.000 0.842 883 K N 3.690 124.072 120.400 -0.030 0.000 2.160 883 K HA -0.212 4.107 4.320 -0.001 0.000 0.206 883 K C 1.232 177.809 176.600 -0.037 0.000 1.047 883 K CA 2.379 58.654 56.287 -0.019 0.000 0.930 883 K CB -1.630 30.882 32.500 0.020 0.000 0.720 883 K HN 0.727 8.977 8.250 0.000 0.000 0.450 884 D N -1.230 119.145 120.400 -0.042 0.000 2.085 884 D HA 0.178 4.817 4.640 -0.001 0.000 0.199 884 D C 1.166 177.424 176.300 -0.069 0.000 0.981 884 D CA 1.234 55.208 54.000 -0.043 0.000 0.834 884 D CB -0.204 40.577 40.800 -0.033 0.000 0.992 884 D HN 0.690 9.060 8.370 0.000 0.000 0.457 885 G N -0.397 108.338 108.800 -0.108 0.000 2.347 885 G HA2 0.295 4.254 3.960 -0.001 0.000 0.321 885 G HA3 0.295 4.254 3.960 -0.001 0.000 0.321 885 G C -1.547 173.261 174.900 -0.154 0.000 1.412 885 G CA -0.777 44.242 45.100 -0.135 0.000 0.990 885 G HN 0.154 8.444 8.290 0.000 0.000 0.637 886 L N 0.397 121.515 121.223 -0.174 0.000 2.387 886 L HA 0.470 4.810 4.340 -0.001 0.000 0.266 886 L C 1.914 178.727 176.870 -0.095 0.000 1.059 886 L CA -1.026 53.719 54.840 -0.159 0.000 0.801 886 L CB 1.239 43.174 42.059 -0.207 0.000 1.223 886 L HN 0.753 8.983 8.230 0.000 0.000 0.456 887 K N 0.390 120.745 120.400 -0.076 0.000 1.991 887 K HA -0.102 4.218 4.320 -0.001 0.000 0.212 887 K C 0.689 177.266 176.600 -0.038 0.000 1.049 887 K CA 1.741 57.997 56.287 -0.051 0.000 0.932 887 K CB -0.153 32.319 32.500 -0.047 0.000 0.717 887 K HN 0.671 8.921 8.250 0.000 0.000 0.441 888 S N 0.943 116.623 115.700 -0.032 0.000 2.665 888 S HA 0.176 4.645 4.470 -0.001 0.000 0.230 888 S C 0.502 175.116 174.600 0.023 0.000 1.326 888 S CA -0.735 57.461 58.200 -0.007 0.000 1.055 888 S CB 1.572 64.769 63.200 -0.005 0.000 1.178 888 S HN 0.077 8.387 8.310 0.000 0.000 0.489 889 Q N 2.777 122.583 119.800 0.010 0.000 2.364 889 Q HA 0.125 4.464 4.340 -0.001 0.000 0.207 889 Q C 1.788 177.850 176.000 0.103 0.000 0.970 889 Q CA 1.617 57.442 55.803 0.036 0.000 0.888 889 Q CB -0.418 28.317 28.738 -0.005 0.000 0.951 889 Q HN 0.930 9.200 8.270 0.000 0.000 0.469 890 A N -0.761 122.099 122.820 0.066 0.000 2.030 890 A HA 0.271 4.591 4.320 -0.001 0.000 0.215 890 A C 2.100 179.721 177.584 0.061 0.000 1.164 890 A CA 0.941 53.013 52.037 0.058 0.000 0.697 890 A CB -0.510 18.507 19.000 0.028 0.000 0.827 890 A HN 0.407 8.557 8.150 0.000 0.000 0.457 891 A N -1.029 121.830 122.820 0.065 0.000 1.968 891 A HA 0.087 4.407 4.320 -0.001 0.000 0.217 891 A C 1.935 179.568 177.584 0.081 0.000 1.169 891 A CA 1.307 53.373 52.037 0.048 0.000 0.638 891 A CB -0.613 18.402 19.000 0.026 0.000 0.812 891 A HN 0.620 8.770 8.150 0.000 0.000 0.446 892 F N 1.070 121.015 119.950 -0.009 0.000 2.084 892 F HA -0.125 4.401 4.527 -0.001 0.000 0.296 892 F C 2.256 178.071 175.800 0.025 0.000 1.111 892 F CA 2.034 60.041 58.000 0.013 0.000 1.224 892 F CB -0.149 38.849 39.000 -0.004 0.000 0.991 892 F HN 0.194 8.494 8.300 0.000 0.000 0.471 893 E N 0.535 120.791 120.200 0.094 0.000 2.097 893 E HA -0.302 4.047 4.350 -0.001 0.000 0.196 893 E C 2.153 178.696 176.600 -0.095 0.000 1.000 893 E CA 1.671 58.060 56.400 -0.018 0.000 0.804 893 E CB -0.640 29.108 29.700 0.080 0.000 0.740 893 E HN 0.669 9.029 8.360 0.000 0.000 0.454 894 E N 0.414 120.583 120.200 -0.053 0.000 2.047 894 E HA -0.163 4.186 4.350 -0.001 0.000 0.191 894 E C 2.180 178.735 176.600 -0.076 0.000 0.987 894 E CA 0.946 57.315 56.400 -0.052 0.000 0.799 894 E CB -0.088 29.594 29.700 -0.030 0.000 0.752 894 E HN 0.175 8.535 8.360 0.000 0.000 0.449 895 M N 0.486 120.035 119.600 -0.086 0.000 2.159 895 M HA -0.188 4.291 4.480 -0.001 0.000 0.263 895 M C 2.449 178.742 176.300 -0.011 0.000 1.063 895 M CA 1.493 56.775 55.300 -0.031 0.000 1.110 895 M CB -0.058 32.562 32.600 0.033 0.000 1.374 895 M HN -0.044 8.246 8.290 0.000 0.000 0.411 896 R N -0.161 120.211 120.500 -0.214 0.000 2.070 896 R HA -0.155 4.184 4.340 -0.001 0.000 0.233 896 R C 2.154 178.435 176.300 -0.032 0.000 1.137 896 R CA 2.383 58.367 56.100 -0.193 0.000 0.945 896 R CB -0.672 29.346 30.300 -0.469 0.000 0.845 896 R HN 0.603 8.873 8.270 0.000 0.000 0.430 897 T N -0.877 113.645 114.554 -0.053 0.000 2.881 897 T HA -0.076 4.273 4.350 -0.001 0.000 0.270 897 T C 1.593 176.292 174.700 -0.002 0.000 1.068 897 T CA 1.337 63.436 62.100 -0.001 0.000 1.131 897 T CB -0.352 68.508 68.868 -0.013 0.000 0.871 897 T HN 0.208 8.448 8.240 0.000 0.000 0.479 898 N N 0.958 119.633 118.700 -0.041 0.000 2.062 898 N HA -0.012 4.727 4.740 -0.001 0.000 0.191 898 N C 1.584 177.027 175.510 -0.111 0.000 1.042 898 N CA 1.391 54.374 53.050 -0.112 0.000 0.845 898 N CB -0.806 37.559 38.487 -0.204 0.000 1.024 898 N HN 0.480 8.860 8.380 0.000 0.000 0.424 899 Y N 1.305 121.581 120.300 -0.040 0.000 2.256 899 Y HA -0.024 4.525 4.550 -0.001 0.000 0.288 899 Y C 2.240 178.149 175.900 0.015 0.000 1.155 899 Y CA 0.692 58.775 58.100 -0.028 0.000 1.203 899 Y CB -0.335 38.096 38.460 -0.048 0.000 0.980 899 Y HN 0.087 8.367 8.280 0.000 0.000 0.530 900 I N -0.220 120.466 120.570 0.193 0.000 2.113 900 I HA -0.315 3.855 4.170 -0.001 0.000 0.238 900 I C 2.138 178.350 176.117 0.158 0.000 1.070 900 I CA 1.307 62.743 61.300 0.227 0.000 1.332 900 I CB -0.306 37.855 38.000 0.268 0.000 1.044 900 I HN 0.047 8.257 8.210 0.000 0.000 0.402 901 K N 0.471 120.909 120.400 0.064 0.000 2.281 901 K HA -0.216 4.103 4.320 -0.001 0.000 0.203 901 K C 1.825 178.422 176.600 -0.005 0.000 1.046 901 K CA 1.089 57.374 56.287 -0.003 0.000 0.938 901 K CB -0.335 32.148 32.500 -0.028 0.000 0.737 901 K HN 0.287 8.537 8.250 0.000 0.000 0.458 902 E N 0.926 121.133 120.200 0.012 0.000 2.107 902 E HA -0.096 4.253 4.350 -0.001 0.000 0.191 902 E C 1.769 178.397 176.600 0.046 0.000 0.982 902 E CA 0.441 56.840 56.400 -0.000 0.000 0.809 902 E CB -0.142 29.541 29.700 -0.028 0.000 0.756 902 E HN 0.126 8.486 8.360 0.000 0.000 0.459 903 L N 0.350 121.636 121.223 0.105 0.000 2.109 903 L HA -0.016 4.324 4.340 -0.001 0.000 0.207 903 L C 2.058 179.028 176.870 0.168 0.000 1.086 903 L CA 1.438 56.356 54.840 0.131 0.000 0.760 903 L CB -0.272 41.878 42.059 0.151 0.000 0.910 903 L HN -0.018 8.212 8.230 0.000 0.000 0.437 904 R N 0.263 120.827 120.500 0.107 0.000 2.080 904 R HA -0.212 4.127 4.340 -0.001 0.000 0.236 904 R C 2.319 178.603 176.300 -0.027 0.000 1.137 904 R CA 1.828 57.880 56.100 -0.080 0.000 0.943 904 R CB -0.704 29.450 30.300 -0.243 0.000 0.846 904 R HN 0.436 8.706 8.270 0.000 0.000 0.431 905 K N -0.115 120.274 120.400 -0.018 0.000 2.147 905 K HA -0.100 4.219 4.320 -0.001 0.000 0.205 905 K C 2.094 178.698 176.600 0.006 0.000 1.049 905 K CA 1.002 57.282 56.287 -0.012 0.000 0.936 905 K CB 0.009 32.498 32.500 -0.019 0.000 0.722 905 K HN -0.028 8.222 8.250 0.000 0.000 0.446 906 M N 0.639 120.251 119.600 0.020 0.000 2.117 906 M HA -0.120 4.359 4.480 -0.001 0.000 0.262 906 M C 1.998 178.317 176.300 0.032 0.000 1.065 906 M CA 1.277 56.591 55.300 0.024 0.000 1.114 906 M CB -0.282 32.333 32.600 0.025 0.000 1.361 906 M HN 0.031 8.321 8.290 0.000 0.000 0.408 907 V N -0.810 119.135 119.914 0.052 0.000 2.446 907 V HA -0.105 4.014 4.120 -0.001 0.000 0.244 907 V C 1.351 177.471 176.094 0.044 0.000 1.039 907 V CA 0.889 63.224 62.300 0.058 0.000 1.045 907 V CB -0.775 31.114 31.823 0.111 0.000 0.681 907 V HN 0.363 8.553 8.190 0.000 0.000 0.459 919 Q N 0.563 120.456 119.800 0.156 0.000 1.812 919 Q HA 0.135 4.474 4.340 -0.001 0.000 0.150 919 Q C 2.048 178.072 176.000 0.040 0.000 0.480 919 Q CA -0.256 55.636 55.803 0.147 0.000 0.762 919 Q CB 0.309 29.129 28.738 0.136 0.000 0.920 919 Q HN 0.268 8.538 8.270 0.000 0.000 0.287 920 R N 0.562 121.082 120.500 0.033 0.000 2.276 920 R HA 0.059 4.398 4.340 -0.001 0.000 0.203 920 R C 1.764 178.016 176.300 -0.080 0.000 1.017 920 R CA 0.718 56.810 56.100 -0.014 0.000 1.010 920 R CB -0.307 29.982 30.300 -0.017 0.000 0.900 920 R HN 0.173 8.443 8.270 0.000 0.000 0.469 921 F N 1.730 121.563 119.950 -0.196 0.000 2.161 921 F HA -0.265 4.261 4.527 -0.001 0.000 0.300 921 F C 2.155 177.764 175.800 -0.318 0.000 1.089 921 F CA 1.424 59.263 58.000 -0.269 0.000 1.282 921 F CB -0.261 38.557 39.000 -0.303 0.000 1.010 921 F HN 0.011 8.311 8.300 0.000 0.000 0.485 922 Y N 0.697 120.770 120.300 -0.379 0.000 2.200 922 Y HA -0.203 4.346 4.550 -0.001 0.000 0.290 922 Y C 2.467 178.209 175.900 -0.264 0.000 1.137 922 Y CA 1.753 59.625 58.100 -0.379 0.000 1.163 922 Y CB -0.486 37.584 38.460 -0.651 0.000 0.988 922 Y HN 0.038 8.318 8.280 0.000 0.000 0.518 923 Q N 0.420 120.146 119.800 -0.124 0.000 2.046 923 Q HA -0.146 4.193 4.340 -0.001 0.000 0.200 923 Q C 2.428 178.287 176.000 -0.234 0.000 0.975 923 Q CA 1.784 57.513 55.803 -0.123 0.000 0.836 923 Q CB -0.562 28.157 28.738 -0.031 0.000 0.896 923 Q HN 0.563 8.833 8.270 0.000 0.000 0.428 924 L N 0.508 121.546 121.223 -0.308 0.000 2.017 924 L HA -0.172 4.167 4.340 -0.001 0.000 0.208 924 L C 2.585 179.170 176.870 -0.474 0.000 1.073 924 L CA 1.841 56.469 54.840 -0.353 0.000 0.745 924 L CB -1.115 40.709 42.059 -0.393 0.000 0.894 924 L HN 0.323 8.553 8.230 0.000 0.000 0.432 925 T N -2.958 111.154 114.554 -0.737 0.000 2.915 925 T HA -0.175 4.174 4.350 -0.001 0.000 0.269 925 T C 1.838 176.312 174.700 -0.377 0.000 1.071 925 T CA 0.948 62.529 62.100 -0.864 0.000 1.132 925 T CB -0.111 67.916 68.868 -1.402 0.000 0.878 925 T HN 0.004 8.244 8.240 0.000 0.000 0.479 926 K N 1.149 121.379 120.400 -0.284 0.000 2.057 926 K HA 0.173 4.492 4.320 -0.001 0.000 0.207 926 K C 2.128 178.672 176.600 -0.093 0.000 1.049 926 K CA 0.912 57.106 56.287 -0.155 0.000 0.931 926 K CB -0.829 31.453 32.500 -0.363 0.000 0.714 926 K HN 0.454 8.704 8.250 0.000 0.000 0.440 927 L N 0.161 121.315 121.223 -0.115 0.000 2.046 927 L HA -0.129 4.210 4.340 -0.001 0.000 0.208 927 L C 1.906 178.764 176.870 -0.021 0.000 1.077 927 L CA 1.249 56.076 54.840 -0.022 0.000 0.747 927 L CB -0.173 41.901 42.059 0.024 0.000 0.896 927 L HN 0.204 8.434 8.230 0.000 0.000 0.432 928 L N -0.351 120.801 121.223 -0.118 0.000 2.083 928 L HA -0.249 4.090 4.340 -0.001 0.000 0.209 928 L C 2.172 178.944 176.870 -0.164 0.000 1.083 928 L CA 1.286 56.027 54.840 -0.164 0.000 0.752 928 L CB -0.772 41.162 42.059 -0.210 0.000 0.899 928 L HN 0.314 8.544 8.230 0.000 0.000 0.433 929 D N -0.457 119.889 120.400 -0.091 0.000 2.117 929 D HA -0.160 4.480 4.640 -0.001 0.000 0.197 929 D C 2.397 178.709 176.300 0.021 0.000 0.987 929 D CA 1.635 55.607 54.000 -0.047 0.000 0.829 929 D CB -0.071 40.819 40.800 0.151 0.000 0.961 929 D HN 0.292 8.662 8.370 0.000 0.000 0.460 930 S N -0.506 115.215 115.700 0.034 0.000 2.481 930 S HA -0.088 4.381 4.470 -0.001 0.000 0.231 930 S C 1.882 176.533 174.600 0.084 0.000 0.996 930 S CA 0.444 58.683 58.200 0.065 0.000 0.942 930 S CB -0.153 63.074 63.200 0.045 0.000 0.768 930 S HN 0.022 8.332 8.310 0.000 0.000 0.520 931 M N 1.751 121.396 119.600 0.074 0.000 2.159 931 M HA -0.044 4.436 4.480 -0.001 0.000 0.263 931 M C 2.011 178.416 176.300 0.176 0.000 1.063 931 M CA 1.532 56.899 55.300 0.111 0.000 1.110 931 M CB -1.668 30.980 32.600 0.080 0.000 1.374 931 M HN 0.580 8.870 8.290 0.000 0.000 0.411 932 H N -0.404 118.674 119.070 0.012 0.000 2.387 932 H HA -0.155 4.401 4.556 -0.001 0.000 0.299 932 H C 1.562 176.919 175.328 0.047 0.000 1.099 932 H CA 0.923 56.977 56.048 0.008 0.000 1.315 932 H CB 0.106 29.864 29.762 -0.007 0.000 1.380 932 H HN 0.366 8.646 8.280 0.000 0.000 0.513 933 D N 0.770 121.296 120.400 0.210 0.000 2.104 933 D HA -0.134 4.506 4.640 -0.001 0.000 0.194 933 D C 2.229 178.573 176.300 0.073 0.000 0.994 933 D CA 0.632 54.711 54.000 0.132 0.000 0.830 933 D CB -0.325 40.538 40.800 0.105 0.000 0.959 933 D HN 0.205 8.575 8.370 0.000 0.000 0.452 934 L N 0.446 121.703 121.223 0.057 0.000 2.044 934 L HA -0.090 4.249 4.340 -0.001 0.000 0.205 934 L C 2.281 179.146 176.870 -0.008 0.000 1.075 934 L CA 1.030 55.881 54.840 0.018 0.000 0.747 934 L CB -0.330 41.736 42.059 0.011 0.000 0.903 934 L HN -0.146 8.084 8.230 0.000 0.000 0.435 935 V N -0.909 118.997 119.914 -0.013 0.000 2.380 935 V HA -0.316 3.803 4.120 -0.001 0.000 0.251 935 V C 2.624 178.667 176.094 -0.085 0.000 1.063 935 V CA 1.914 64.166 62.300 -0.079 0.000 1.055 935 V CB -0.773 30.986 31.823 -0.107 0.000 0.657 935 V HN 0.489 8.679 8.190 0.000 0.000 0.455 936 S N -0.249 115.431 115.700 -0.034 0.000 2.359 936 S HA -0.225 4.245 4.470 -0.001 0.000 0.224 936 S C 1.757 176.343 174.600 -0.024 0.000 1.035 936 S CA 1.709 59.896 58.200 -0.021 0.000 1.018 936 S CB -0.425 62.794 63.200 0.033 0.000 0.876 936 S HN 0.647 8.957 8.310 0.000 0.000 0.448 937 D N 1.361 121.758 120.400 -0.005 0.000 2.117 937 D HA -0.044 4.596 4.640 -0.001 0.000 0.197 937 D C 1.913 178.221 176.300 0.014 0.000 0.987 937 D CA 0.819 54.824 54.000 0.008 0.000 0.829 937 D CB -0.414 40.387 40.800 0.000 0.000 0.961 937 D HN 0.315 8.685 8.370 0.000 0.000 0.460 938 L N 0.186 121.397 121.223 -0.020 0.000 2.093 938 L HA -0.103 4.236 4.340 -0.001 0.000 0.208 938 L C 2.578 179.419 176.870 -0.049 0.000 1.085 938 L CA 0.534 55.374 54.840 -0.000 0.000 0.755 938 L CB -0.273 41.749 42.059 -0.062 0.000 0.904 938 L HN 0.021 8.251 8.230 0.000 0.000 0.435 939 L N -0.101 121.007 121.223 -0.192 0.000 2.027 939 L HA -0.199 4.140 4.340 -0.001 0.000 0.206 939 L C 2.799 179.270 176.870 -0.665 0.000 1.074 939 L CA 1.576 56.135 54.840 -0.468 0.000 0.745 939 L CB -0.503 41.276 42.059 -0.467 0.000 0.898 939 L HN 0.422 8.652 8.230 0.000 0.000 0.433 940 E N -0.363 119.671 120.200 -0.277 0.000 2.153 940 E HA -0.287 4.062 4.350 -0.001 0.000 0.194 940 E C 2.156 178.829 176.600 0.121 0.000 0.988 940 E CA 1.271 57.639 56.400 -0.053 0.000 0.811 940 E CB -0.536 29.214 29.700 0.083 0.000 0.746 940 E HN 0.420 8.780 8.360 0.000 0.000 0.466 941 F N 1.706 121.658 119.950 0.003 0.000 2.206 941 F HA -0.076 4.450 4.527 -0.001 0.000 0.298 941 F C 2.329 178.243 175.800 0.190 0.000 1.090 941 F CA 0.870 58.950 58.000 0.133 0.000 1.323 941 F CB -0.496 38.560 39.000 0.092 0.000 1.028 941 F HN 0.244 8.544 8.300 0.000 0.000 0.492 942 C N 0.297 119.596 119.300 -0.002 0.000 2.446 942 C HA -0.175 4.285 4.460 -0.001 0.000 0.277 942 C C 2.840 177.947 174.990 0.196 0.000 1.275 942 C CA 0.942 59.975 59.018 0.025 0.000 1.727 942 C CB -1.784 25.981 27.740 0.041 0.000 2.010 942 C HN 0.458 8.688 8.230 0.000 0.000 0.486 943 F N 0.293 120.329 119.950 0.144 0.000 2.171 943 F HA 0.012 4.538 4.527 -0.001 0.000 0.300 943 F C 2.243 178.131 175.800 0.146 0.000 1.090 943 F CA 1.361 59.442 58.000 0.136 0.000 1.293 943 F CB -1.869 37.200 39.000 0.116 0.000 1.013 943 F HN 0.416 8.716 8.300 0.000 0.000 0.486 944 Y N 1.167 121.573 120.300 0.176 0.000 2.133 944 Y HA -0.210 4.340 4.550 -0.001 0.000 0.287 944 Y C 2.447 178.336 175.900 -0.018 0.000 1.134 944 Y CA 2.187 60.321 58.100 0.056 0.000 1.133 944 Y CB -1.084 37.393 38.460 0.029 0.000 0.987 944 Y HN -0.027 8.253 8.280 0.000 0.000 0.502 945 T N 1.220 115.537 114.554 -0.395 0.000 2.759 945 T HA -0.228 4.121 4.350 -0.001 0.000 0.269 945 T C 1.560 176.208 174.700 -0.087 0.000 1.042 945 T CA 1.757 63.626 62.100 -0.384 0.000 1.140 945 T CB -0.769 67.975 68.868 -0.207 0.000 0.864 945 T HN 0.439 8.679 8.240 0.000 0.000 0.455 946 F N 1.689 121.539 119.950 -0.166 0.000 2.098 946 F HA 0.100 4.626 4.527 -0.001 0.000 0.294 946 F C 2.339 177.887 175.800 -0.421 0.000 1.107 946 F CA 1.053 58.733 58.000 -0.532 0.000 1.234 946 F CB -0.166 38.548 39.000 -0.476 0.000 1.002 946 F HN -0.163 8.137 8.300 0.000 0.000 0.472 947 R N 0.174 120.523 120.500 -0.252 0.000 2.369 947 R HA -0.051 4.289 4.340 -0.001 0.000 0.200 947 R C 0.573 176.449 176.300 -0.705 0.000 1.046 947 R CA 0.811 56.685 56.100 -0.376 0.000 1.057 947 R CB -0.109 30.149 30.300 -0.069 0.000 0.888 947 R HN 0.400 8.670 8.270 0.000 0.000 0.474 948 E N -1.887 117.874 120.200 -0.731 0.000 2.702 948 E HA -0.000 4.349 4.350 -0.001 0.000 0.225 948 E C 0.994 177.291 176.600 -0.504 0.000 0.942 948 E CA 0.251 56.251 56.400 -0.667 0.000 1.210 948 E CB 0.939 30.295 29.700 -0.573 0.000 1.143 948 E HN 0.210 8.570 8.360 0.000 0.000 0.544 949 S N 0.200 115.643 115.700 -0.429 0.000 2.493 949 S HA -0.169 4.300 4.470 -0.001 0.000 0.243 949 S C 1.527 176.118 174.600 -0.014 0.000 0.991 949 S CA 0.888 59.024 58.200 -0.107 0.000 0.957 949 S CB -0.903 62.336 63.200 0.066 0.000 0.756 949 S HN 0.447 8.757 8.310 0.000 0.000 0.521 950 H N 0.938 119.905 119.070 -0.172 0.000 2.489 950 H HA 0.100 4.655 4.556 -0.001 0.000 0.295 950 H C 2.133 177.415 175.328 -0.078 0.000 1.082 950 H CA 0.864 56.833 56.048 -0.132 0.000 1.295 950 H CB -0.051 29.627 29.762 -0.141 0.000 1.380 950 H HN 0.660 8.940 8.280 0.000 0.000 0.548 951 A N 0.355 123.187 122.820 0.020 0.000 2.048 951 A HA 0.159 4.478 4.320 -0.001 0.000 0.197 951 A C 1.910 179.490 177.584 -0.006 0.000 1.486 951 A CA -0.314 51.727 52.037 0.006 0.000 1.029 951 A CB -0.088 18.910 19.000 -0.002 0.000 1.101 951 A HN 0.162 8.312 8.150 0.000 0.000 0.470 952 L N -0.298 120.905 121.223 -0.034 0.000 2.353 952 L HA -0.041 4.298 4.340 -0.001 0.000 0.220 952 L C 0.595 177.471 176.870 0.010 0.000 1.133 952 L CA 1.158 55.986 54.840 -0.020 0.000 0.798 952 L CB -0.579 41.443 42.059 -0.062 0.000 0.922 952 L HN 0.345 8.575 8.230 0.000 0.000 0.445 953 K N -0.601 119.813 120.400 0.023 0.000 3.069 953 K HA -0.153 4.167 4.320 -0.001 0.000 0.267 953 K C -0.499 176.126 176.600 0.042 0.000 1.082 953 K CA 0.121 56.428 56.287 0.034 0.000 0.782 953 K CB -1.877 30.634 32.500 0.019 0.000 1.230 953 K HN 0.139 8.389 8.250 0.000 0.000 0.488 954 V N 1.310 121.269 119.914 0.075 0.000 2.383 954 V HA 0.156 4.276 4.120 -0.001 0.000 0.275 954 V C 0.564 176.729 176.094 0.118 0.000 1.036 954 V CA -0.432 61.891 62.300 0.039 0.000 0.889 954 V CB 1.493 33.324 31.823 0.014 0.000 0.985 954 V HN 0.140 8.330 8.190 0.000 0.000 0.459 955 E N 3.191 123.398 120.200 0.013 0.000 2.349 955 E HA 0.569 4.918 4.350 -0.001 0.000 0.265 955 E C -1.292 175.306 176.600 -0.003 0.000 1.064 955 E CA -0.093 56.374 56.400 0.112 0.000 0.886 955 E CB 0.907 30.637 29.700 0.051 0.000 1.036 955 E HN 0.447 8.807 8.360 0.000 0.000 0.413 956 F N 2.818 122.821 119.950 0.088 0.000 2.539 956 F HA 0.374 4.900 4.527 -0.001 0.000 0.328 956 F C -1.948 173.899 175.800 0.078 0.000 1.148 956 F CA -2.390 55.679 58.000 0.116 0.000 0.940 956 F CB 1.409 40.552 39.000 0.238 0.000 1.194 956 F HN 0.316 8.616 8.300 0.000 0.000 0.438 957 P HA 0.084 4.504 4.420 0.000 0.000 0.269 957 P C 0.450 177.813 177.300 0.105 0.000 1.217 957 P CA 0.165 63.326 63.100 0.103 0.000 0.783 957 P CB 0.818 32.554 31.700 0.060 0.000 0.898 958 A N 1.864 124.725 122.820 0.068 0.000 1.978 958 A HA -0.225 4.094 4.320 -0.001 0.000 0.220 958 A C 2.028 179.617 177.584 0.007 0.000 1.170 958 A CA 1.557 53.621 52.037 0.045 0.000 0.636 958 A CB -1.137 17.881 19.000 0.031 0.000 0.810 958 A HN 0.508 8.658 8.150 0.000 0.000 0.448 959 M N -1.175 118.422 119.600 -0.005 0.000 2.086 959 M HA -0.107 4.373 4.480 -0.001 0.000 0.261 959 M C 2.064 178.277 176.300 -0.144 0.000 1.067 959 M CA 1.551 56.817 55.300 -0.056 0.000 1.116 959 M CB -0.917 31.663 32.600 -0.033 0.000 1.348 959 M HN 0.381 8.671 8.290 0.000 0.000 0.407 960 L N -0.654 120.496 121.223 -0.122 0.000 2.017 960 L HA -0.155 4.185 4.340 -0.001 0.000 0.208 960 L C 2.428 179.159 176.870 -0.232 0.000 1.073 960 L CA 1.117 55.822 54.840 -0.226 0.000 0.745 960 L CB -1.090 40.969 42.059 0.001 0.000 0.894 960 L HN 0.050 8.280 8.230 0.000 0.000 0.432 961 V N -0.329 119.541 119.914 -0.073 0.000 2.282 961 V HA -0.380 3.739 4.120 -0.001 0.000 0.249 961 V C 2.532 178.511 176.094 -0.192 0.000 1.057 961 V CA 2.223 64.462 62.300 -0.102 0.000 1.032 961 V CB -0.633 31.250 31.823 0.100 0.000 0.645 961 V HN 0.597 8.787 8.190 0.000 0.000 0.447 962 E N -0.200 119.915 120.200 -0.142 0.000 2.106 962 E HA -0.189 4.160 4.350 -0.001 0.000 0.192 962 E C 2.161 178.636 176.600 -0.208 0.000 0.984 962 E CA 1.427 57.743 56.400 -0.139 0.000 0.806 962 E CB -0.133 29.512 29.700 -0.092 0.000 0.750 962 E HN 0.640 9.000 8.360 0.000 0.000 0.458 963 I N 0.785 121.175 120.570 -0.300 0.000 2.163 963 I HA -0.256 3.914 4.170 -0.001 0.000 0.240 963 I C 2.397 178.297 176.117 -0.361 0.000 1.081 963 I CA 0.918 61.989 61.300 -0.382 0.000 1.353 963 I CB -0.210 37.375 38.000 -0.692 0.000 1.054 963 I HN 0.166 8.376 8.210 0.000 0.000 0.407 964 I N 0.674 120.991 120.570 -0.421 0.000 2.127 964 I HA -0.299 3.870 4.170 -0.001 0.000 0.241 964 I C 2.550 178.404 176.117 -0.439 0.000 1.075 964 I CA 1.843 62.926 61.300 -0.361 0.000 1.334 964 I CB -0.584 37.043 38.000 -0.622 0.000 1.040 964 I HN 0.301 8.511 8.210 0.000 0.000 0.405 965 S N -0.690 114.736 115.700 -0.456 0.000 2.641 965 S HA -0.185 4.285 4.470 -0.001 0.000 0.239 965 S C 1.181 175.662 174.600 -0.199 0.000 0.972 965 S CA 1.501 59.539 58.200 -0.270 0.000 0.954 965 S CB -0.400 62.727 63.200 -0.121 0.000 0.767 965 S HN 0.592 8.902 8.310 0.000 0.000 0.539 966 D N -0.463 119.806 120.400 -0.218 0.000 2.514 966 D HA 0.081 4.721 4.640 -0.001 0.000 0.249 966 D C 2.170 178.354 176.300 -0.193 0.000 1.036 966 D CA 0.082 53.985 54.000 -0.162 0.000 0.911 966 D CB 0.093 40.815 40.800 -0.129 0.000 1.145 966 D HN 0.112 8.482 8.370 0.000 0.000 0.495 967 Q N 0.169 119.823 119.800 -0.243 0.000 2.089 967 Q HA 0.031 4.370 4.340 -0.001 0.000 0.195 967 Q C 2.169 177.983 176.000 -0.310 0.000 0.963 967 Q CA 0.537 56.184 55.803 -0.261 0.000 0.834 967 Q CB -0.498 28.184 28.738 -0.094 0.000 0.906 967 Q HN 0.335 8.605 8.270 0.000 0.000 0.452 968 L N 2.403 123.278 121.223 -0.580 0.000 1.976 968 L HA -0.078 4.261 4.340 -0.001 0.000 0.209 968 L C -0.906 175.692 176.870 -0.453 0.000 1.071 968 L CA 2.022 56.280 54.840 -0.970 0.000 0.746 968 L CB -1.825 39.444 42.059 -1.316 0.000 0.890 968 L HN 0.060 8.290 8.230 0.000 0.000 0.432 969 P HA -0.265 4.155 4.420 0.000 0.000 0.203 969 P C 1.107 178.334 177.300 -0.122 0.000 1.002 969 P CA 2.051 65.050 63.100 -0.168 0.000 0.964 969 P CB -0.108 31.517 31.700 -0.125 0.000 0.727 970 K N -0.517 119.827 120.400 -0.093 0.000 1.991 970 K HA 0.004 4.324 4.320 -0.001 0.000 0.207 970 K C 1.676 178.253 176.600 -0.039 0.000 1.045 970 K CA 1.101 57.359 56.287 -0.049 0.000 0.937 970 K CB -0.735 31.752 32.500 -0.022 0.000 0.720 970 K HN -0.023 8.227 8.250 0.000 0.000 0.438 971 V N 2.489 122.371 119.914 -0.054 0.000 3.394 971 V HA -0.060 4.060 4.120 -0.001 0.000 0.340 971 V C 1.519 177.599 176.094 -0.024 0.000 1.174 971 V CA 0.800 63.085 62.300 -0.025 0.000 1.368 971 V CB -1.092 30.683 31.823 -0.080 0.000 1.111 971 V HN 0.323 8.513 8.190 0.000 0.000 0.420 972 E N 1.327 121.509 120.200 -0.030 0.000 2.075 972 E HA -0.052 4.298 4.350 -0.001 0.000 0.190 972 E C 1.806 178.440 176.600 0.057 0.000 0.969 972 E CA 0.796 57.203 56.400 0.010 0.000 0.815 972 E CB 0.190 29.867 29.700 -0.038 0.000 0.776 972 E HN 0.751 9.111 8.360 0.000 0.000 0.457 973 S N -0.604 115.119 115.700 0.039 0.000 2.587 973 S HA 0.123 4.592 4.470 -0.001 0.000 0.252 973 S C 1.248 175.885 174.600 0.062 0.000 1.282 973 S CA -0.242 57.987 58.200 0.049 0.000 0.977 973 S CB -0.015 63.207 63.200 0.035 0.000 1.015 973 S HN 0.245 8.556 8.310 0.000 0.000 0.557 974 G N 0.227 109.062 108.800 0.059 0.000 3.392 974 G HA2 0.172 4.131 3.960 -0.001 0.000 0.247 974 G HA3 0.172 4.131 3.960 -0.001 0.000 0.247 974 G C -0.060 174.881 174.900 0.068 0.000 1.161 974 G CA -0.512 44.627 45.100 0.065 0.000 1.739 974 G HN 0.598 8.888 8.290 0.000 0.000 0.619 975 N N 0.390 119.140 118.700 0.083 0.000 2.268 975 N HA 0.298 5.037 4.740 -0.001 0.000 0.204 975 N C 0.462 176.080 175.510 0.180 0.000 1.124 975 N CA 0.179 53.291 53.050 0.104 0.000 0.838 975 N CB 1.064 39.611 38.487 0.100 0.000 0.994 975 N HN 0.322 8.702 8.380 0.000 0.000 0.489 976 A N 0.547 123.468 122.820 0.168 0.000 2.702 976 A HA 0.239 4.559 4.320 -0.001 0.000 0.305 976 A C -0.349 177.295 177.584 0.100 0.000 1.213 976 A CA -0.736 51.434 52.037 0.222 0.000 0.745 976 A CB 0.444 19.608 19.000 0.273 0.000 1.161 976 A HN 0.045 8.195 8.150 0.000 0.000 0.445 977 K N 3.524 123.948 120.400 0.040 0.000 2.292 977 K HA 0.339 4.659 4.320 -0.001 0.000 0.290 977 K C -2.702 173.885 176.600 -0.022 0.000 1.083 977 K CA -1.571 54.726 56.287 0.017 0.000 0.918 977 K CB 0.389 32.886 32.500 -0.004 0.000 1.089 977 K HN 0.281 8.531 8.250 0.000 0.000 0.473 978 P HA 0.072 4.492 4.420 0.000 0.000 0.276 978 P C -0.859 176.306 177.300 -0.225 0.000 1.235 978 P CA -0.098 62.913 63.100 -0.147 0.000 0.772 978 P CB 0.612 32.206 31.700 -0.176 0.000 0.871 979 L N 4.671 125.787 121.223 -0.177 0.000 2.265 979 L HA 0.334 4.673 4.340 -0.001 0.000 0.288 979 L C -0.072 176.511 176.870 -0.479 0.000 1.058 979 L CA -0.468 54.230 54.840 -0.236 0.000 0.809 979 L CB -0.027 41.937 42.059 -0.157 0.000 1.179 979 L HN 0.376 8.606 8.230 0.000 0.000 0.429 980 Y N 1.810 121.976 120.300 -0.223 0.000 2.496 980 Y HA 0.300 4.850 4.550 -0.001 0.000 0.331 980 Y C 0.436 176.081 175.900 -0.425 0.000 1.140 980 Y CA -0.341 57.595 58.100 -0.273 0.000 1.166 980 Y CB 1.272 39.666 38.460 -0.110 0.000 1.249 980 Y HN 0.340 8.620 8.280 0.000 0.000 0.479 981 F N -1.018 118.854 119.950 -0.131 0.000 2.717 981 F HA 0.162 4.688 4.527 -0.002 0.000 0.295 981 F C 0.562 175.998 175.800 -0.607 0.000 1.117 981 F CA 0.281 58.040 58.000 -0.402 0.000 1.361 981 F CB 0.352 38.963 39.000 -0.650 0.000 1.112 981 F HN 0.438 8.738 8.300 0.000 0.000 0.594 982 H N 0.000 119.181 119.070 0.184 0.000 2.539 982 H HA 0.000 4.555 4.556 -0.001 0.000 0.296 982 H CA 0.000 56.117 56.048 0.114 0.000 1.023 982 H CB 0.000 29.790 29.762 0.047 0.000 1.292 982 H HN 0.000 8.280 8.280 0.000 0.000 0.496