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 2ayx_1_A DATA FIRST_RESID 696 DATA SEQUENCE MGGSGVEGLS GKRCWLAVRN ASLCQFLETS LQRSGIVVTT YEGQEPTPED DATA SEQUENCE VLITDEVVSK KWQGRAVVTF CRRHIGIPLE KAPGEWVHSV AAPHELPALL DATA SEQUENCE ARIYLIEMES DDPANALPST DKAVSDNDDM MILVVDDHPI NRRLLADQLG DATA SEQUENCE SLGYQCKTAN DGVDALNVLS KNHIDIVLSD VNMPNMDGYR LTQRIRQLGL DATA SEQUENCE TLPVIGVTAN ALAEEKQRCL ESGMDSCLSK PVTLDVIKQT LTLYAERVRK DATA SEQUENCE SRDS 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 696 M HA 0.000 4.486 4.480 0.011 0.000 0.227 696 M C 0.000 176.308 176.300 0.013 0.000 1.140 696 M CA 0.000 55.306 55.300 0.011 0.000 0.988 696 M CB 0.000 32.605 32.600 0.008 0.000 1.302 697 G N 4.571 113.381 108.800 0.016 0.000 4.655 697 G HA2 -0.295 3.678 3.960 0.021 0.000 0.220 697 G HA3 -0.295 3.743 3.960 0.016 -0.068 0.220 697 G C -0.624 174.296 174.900 0.033 0.000 1.403 697 G CA 0.128 45.241 45.100 0.021 0.000 0.931 697 G HN 0.470 8.769 8.290 0.015 0.000 0.654 698 G N 0.589 109.406 108.800 0.029 0.000 2.588 698 G HA2 -0.096 3.879 3.960 0.025 0.000 0.239 698 G HA3 -0.096 3.890 3.960 0.043 0.000 0.239 698 G C -2.173 172.745 174.900 0.031 0.000 1.275 698 G CA -0.631 44.489 45.100 0.032 0.000 1.181 698 G HN -0.463 7.781 8.290 0.023 0.059 0.595 699 S N 4.004 119.717 115.700 0.022 0.000 2.686 699 S HA -0.068 4.413 4.470 0.019 0.000 0.324 699 S C 0.100 174.711 174.600 0.018 0.000 1.172 699 S CA 0.430 58.641 58.200 0.018 0.000 1.127 699 S CB -0.301 62.906 63.200 0.012 0.000 1.338 699 S HN 0.210 8.531 8.310 0.018 0.000 0.547 700 G N 3.999 112.813 108.800 0.024 0.000 2.644 700 G HA2 0.337 4.305 3.960 0.014 0.000 0.300 700 G HA3 0.337 4.313 3.960 0.028 0.000 0.300 700 G C -1.925 172.987 174.900 0.019 0.000 1.395 700 G CA -0.055 45.058 45.100 0.022 0.000 0.964 700 G HN -0.442 7.867 8.290 0.031 0.000 0.511 701 V N -1.438 118.482 119.914 0.009 0.000 2.715 701 V HA 0.804 5.197 4.120 0.008 -0.269 0.310 701 V C -1.182 174.911 176.094 -0.002 0.000 1.054 701 V CA -1.911 60.391 62.300 0.004 0.000 0.928 701 V CB 1.922 33.745 31.823 -0.001 0.000 1.007 701 V HN -0.128 8.066 8.190 0.006 0.000 0.437 702 E N 4.360 124.556 120.200 -0.006 0.000 3.045 702 E HA 0.127 4.468 4.350 -0.016 0.000 0.219 702 E C 0.508 177.092 176.600 -0.026 0.000 1.168 702 E CA -1.443 54.948 56.400 -0.015 0.000 1.067 702 E CB 2.463 32.157 29.700 -0.011 0.000 2.714 702 E HN 0.591 9.293 8.360 -0.004 -0.344 0.562 703 G N -1.609 107.172 108.800 -0.030 0.000 2.557 703 G HA2 -0.419 3.578 3.960 -0.043 0.000 0.292 703 G HA3 -0.419 3.517 3.960 -0.040 0.000 0.292 703 G C 0.839 175.695 174.900 -0.073 0.000 1.162 703 G CA 1.332 46.405 45.100 -0.045 0.000 0.964 703 G HN 0.272 8.549 8.290 -0.023 0.000 0.541 704 L N 4.031 125.207 121.223 -0.079 0.000 2.298 704 L HA 0.068 4.302 4.340 -0.176 0.000 0.209 704 L C 0.145 176.963 176.870 -0.086 0.000 1.084 704 L CA 0.337 55.106 54.840 -0.118 0.000 0.816 704 L CB 0.723 42.717 42.059 -0.107 0.000 0.967 704 L HN 0.055 8.249 8.230 -0.060 0.000 0.460 705 S N -1.050 114.618 115.700 -0.053 0.000 2.519 705 S HA -0.241 4.323 4.470 -0.032 -0.113 0.310 705 S C 0.188 174.765 174.600 -0.038 0.000 1.201 705 S CA 1.317 59.495 58.200 -0.037 0.000 1.179 705 S CB -1.430 61.754 63.200 -0.027 0.000 1.104 705 S HN -0.571 7.711 8.310 -0.047 0.000 0.527 706 G N 4.385 113.162 108.800 -0.039 0.000 2.318 706 G HA2 -0.309 3.630 3.960 -0.035 0.000 0.172 706 G HA3 -0.309 3.632 3.960 -0.033 0.000 0.172 706 G C -0.657 174.219 174.900 -0.041 0.000 1.002 706 G CA -0.184 44.894 45.100 -0.037 0.000 0.697 706 G HN 0.682 8.950 8.290 -0.036 0.000 0.483 707 K N 1.998 122.365 120.400 -0.055 0.000 2.412 707 K HA -0.019 4.274 4.320 -0.045 0.000 0.281 707 K C -0.743 175.876 176.600 0.032 0.000 1.027 707 K CA 0.221 56.481 56.287 -0.045 0.000 0.989 707 K CB 0.399 32.771 32.500 -0.213 0.000 0.935 707 K HN -0.051 8.062 8.250 -0.066 0.098 0.475 708 R N 2.103 122.625 120.500 0.038 0.000 2.540 708 R HA 0.574 4.983 4.340 -0.175 -0.174 0.287 708 R C -0.611 175.630 176.300 -0.099 0.000 0.980 708 R CA -0.680 55.344 56.100 -0.126 0.000 0.966 708 R CB 2.784 32.923 30.300 -0.267 0.000 1.106 708 R HN 0.392 8.713 8.270 0.084 0.000 0.480 709 C N 2.030 121.163 119.300 -0.278 0.000 2.381 709 C HA 0.244 4.646 4.460 -0.097 0.000 0.328 709 C C -1.642 173.165 174.990 -0.306 0.000 1.190 709 C CA -1.098 57.795 59.018 -0.208 0.000 1.369 709 C CB 2.334 29.994 27.740 -0.133 0.000 2.029 709 C HN 0.665 8.683 8.230 -0.353 0.000 0.448 710 W N 4.047 125.317 121.300 -0.050 0.000 2.351 710 W HA 0.413 5.273 4.660 0.037 -0.178 0.311 710 W C -1.057 175.366 176.519 -0.160 0.000 1.168 710 W CA -1.273 56.028 57.345 -0.074 0.000 1.200 710 W CB 1.456 30.827 29.460 -0.147 0.000 1.221 710 W HN 0.774 9.003 8.180 0.083 0.000 0.519 711 L N -0.821 120.506 121.223 0.174 0.000 2.381 711 L HA 1.003 5.521 4.340 0.002 -0.177 0.274 711 L C -2.042 174.912 176.870 0.140 0.000 0.988 711 L CA -1.873 53.013 54.840 0.076 0.000 0.824 711 L CB 3.341 45.420 42.059 0.033 0.000 1.263 711 L HN 0.848 9.244 8.230 0.276 0.000 0.410 712 A N 5.683 128.557 122.820 0.091 0.000 3.165 712 A HA 0.513 4.926 4.320 0.154 0.000 0.331 712 A C -2.021 175.603 177.584 0.067 0.000 1.034 712 A CA -1.154 50.959 52.037 0.127 0.000 0.906 712 A CB 0.405 19.521 19.000 0.194 0.000 1.054 712 A HN 1.016 9.066 8.150 0.020 0.112 0.484 713 V N 1.795 121.735 119.914 0.043 0.000 2.334 713 V HA 0.175 4.443 4.120 0.019 -0.136 0.281 713 V C -0.197 175.903 176.094 0.009 0.000 1.016 713 V CA -0.455 61.852 62.300 0.012 0.000 0.832 713 V CB 0.377 32.182 31.823 -0.031 0.000 0.999 713 V HN -0.307 7.913 8.190 0.049 0.000 0.439 714 R N 6.517 127.024 120.500 0.011 0.000 2.193 714 R HA -0.185 4.162 4.340 0.011 0.000 0.213 714 R C 0.284 176.580 176.300 -0.008 0.000 1.055 714 R CA 1.547 57.651 56.100 0.007 0.000 0.995 714 R CB 0.261 30.567 30.300 0.010 0.000 0.893 714 R HN 0.584 9.313 8.270 0.016 -0.449 0.459 715 N N 0.378 119.065 118.700 -0.021 0.000 2.406 715 N HA -0.109 4.613 4.740 -0.028 0.000 0.269 715 N C 0.013 175.499 175.510 -0.041 0.000 1.210 715 N CA -0.034 52.994 53.050 -0.037 0.000 0.966 715 N CB -0.450 38.002 38.487 -0.058 0.000 1.293 715 N HN -0.728 7.752 8.380 -0.019 -0.112 0.491 716 A N 7.682 130.488 122.820 -0.024 0.000 1.972 716 A HA -0.282 4.030 4.320 -0.013 0.000 0.219 716 A C 1.599 179.177 177.584 -0.011 0.000 1.169 716 A CA 2.939 54.967 52.037 -0.014 0.000 0.635 716 A CB -0.186 18.810 19.000 -0.006 0.000 0.810 716 A HN 0.221 8.359 8.150 -0.019 0.000 0.446 717 S N 0.085 115.774 115.700 -0.018 0.000 2.356 717 S HA -0.340 4.149 4.470 0.032 0.000 0.223 717 S C 2.057 176.651 174.600 -0.009 0.000 1.032 717 S CA 3.572 61.770 58.200 -0.003 0.000 1.005 717 S CB -0.516 62.666 63.200 -0.030 0.000 0.867 717 S HN -0.382 7.943 8.310 -0.027 -0.031 0.449 718 L N 2.189 123.355 121.223 -0.095 0.000 2.072 718 L HA -0.135 4.080 4.340 -0.210 0.000 0.205 718 L C 1.575 178.363 176.870 -0.137 0.000 1.079 718 L CA 3.038 57.761 54.840 -0.195 0.000 0.752 718 L CB 0.308 42.163 42.059 -0.340 0.000 0.906 718 L HN 0.141 8.683 8.230 -0.098 -0.371 0.436 719 C N -0.731 118.512 119.300 -0.094 0.000 2.413 719 C HA -0.487 3.921 4.460 -0.086 0.000 0.277 719 C C 1.693 176.671 174.990 -0.020 0.000 1.228 719 C CA 3.797 62.779 59.018 -0.060 0.000 1.731 719 C CB -0.961 26.759 27.740 -0.033 0.000 2.042 719 C HN 0.596 8.666 8.230 -0.085 0.109 0.468 720 Q N 0.192 119.994 119.800 0.004 0.000 2.084 720 Q HA -0.316 4.169 4.340 -0.014 -0.154 0.202 720 Q C 2.352 178.360 176.000 0.012 0.000 0.978 720 Q CA 3.097 58.903 55.803 0.005 0.000 0.844 720 Q CB -0.326 28.419 28.738 0.012 0.000 0.898 720 Q HN -0.080 8.078 8.270 0.004 0.114 0.426 721 F N 1.382 121.283 119.950 -0.082 0.000 2.069 721 F HA -0.399 4.096 4.527 -0.053 0.000 0.298 721 F C 2.026 177.781 175.800 -0.074 0.000 1.113 721 F CA 4.420 62.376 58.000 -0.075 0.000 1.214 721 F CB 0.179 39.125 39.000 -0.091 0.000 0.978 721 F HN -0.525 7.890 8.300 0.191 0.000 0.474 722 L N -1.886 119.413 121.223 0.127 0.000 2.046 722 L HA -0.410 3.994 4.340 0.107 0.000 0.208 722 L C 2.017 178.884 176.870 -0.005 0.000 1.077 722 L CA 3.413 58.282 54.840 0.049 0.000 0.747 722 L CB -0.860 41.179 42.059 -0.033 0.000 0.896 722 L HN 0.295 8.582 8.230 0.095 0.000 0.432 723 E N -1.539 118.646 120.200 -0.025 0.000 2.077 723 E HA -0.348 3.979 4.350 -0.039 0.000 0.193 723 E C 2.539 179.106 176.600 -0.054 0.000 0.989 723 E CA 3.046 59.423 56.400 -0.039 0.000 0.800 723 E CB -0.503 29.176 29.700 -0.034 0.000 0.746 723 E HN 0.257 8.606 8.360 -0.018 0.000 0.452 724 T N 1.444 115.951 114.554 -0.078 0.000 2.857 724 T HA -0.272 4.029 4.350 -0.080 0.000 0.266 724 T C 2.259 176.898 174.700 -0.102 0.000 1.048 724 T CA 3.510 65.549 62.100 -0.103 0.000 1.139 724 T CB -0.130 68.644 68.868 -0.155 0.000 0.874 724 T HN -0.090 8.101 8.240 -0.081 0.000 0.455 725 S N 2.499 118.136 115.700 -0.106 0.000 2.382 725 S HA -0.292 4.123 4.470 -0.092 0.000 0.228 725 S C 1.918 176.496 174.600 -0.036 0.000 1.027 725 S CA 3.608 61.765 58.200 -0.072 0.000 0.991 725 S CB -0.157 63.025 63.200 -0.030 0.000 0.823 725 S HN -0.583 7.661 8.310 -0.111 0.000 0.469 726 L N 1.177 122.381 121.223 -0.031 0.000 2.109 726 L HA -0.256 4.077 4.340 -0.012 0.000 0.207 726 L C 1.311 178.171 176.870 -0.018 0.000 1.086 726 L CA 2.784 57.611 54.840 -0.021 0.000 0.760 726 L CB 0.042 42.082 42.059 -0.033 0.000 0.910 726 L HN -0.359 7.850 8.230 -0.036 0.000 0.437 727 Q N -4.258 115.522 119.800 -0.033 0.000 2.466 727 Q HA -0.113 4.390 4.340 -0.025 -0.178 0.210 727 Q C 0.914 176.896 176.000 -0.030 0.000 0.961 727 Q CA 1.157 56.941 55.803 -0.032 0.000 0.953 727 Q CB -0.389 28.324 28.738 -0.042 0.000 1.011 727 Q HN -0.635 7.609 8.270 -0.042 0.000 0.516 728 R N -2.592 117.891 120.500 -0.028 0.000 2.236 728 R HA -0.138 4.183 4.340 -0.032 0.000 0.208 728 R C 0.287 176.578 176.300 -0.015 0.000 1.036 728 R CA 1.727 57.811 56.100 -0.027 0.000 1.001 728 R CB 0.261 30.544 30.300 -0.029 0.000 0.896 728 R HN -0.698 7.347 8.270 -0.028 0.208 0.464 729 S N -1.840 113.856 115.700 -0.007 0.000 2.967 729 S HA 0.101 4.568 4.470 -0.004 0.000 0.167 729 S C 1.058 175.655 174.600 -0.005 0.000 0.696 729 S CA 0.456 58.656 58.200 -0.001 0.000 0.874 729 S CB 1.384 64.592 63.200 0.013 0.000 0.718 729 S HN -0.711 7.554 8.310 -0.005 0.042 0.634 730 G N 1.317 110.117 108.800 0.000 0.000 4.773 730 G HA2 0.278 4.230 3.960 -0.014 0.000 0.269 730 G HA3 0.278 4.230 3.960 -0.014 0.000 0.269 730 G C -2.373 172.524 174.900 -0.005 0.000 0.992 730 G CA 0.103 45.197 45.100 -0.009 0.000 0.775 730 G HN 0.287 8.585 8.290 0.013 0.000 0.471 731 I N 1.818 122.394 120.570 0.010 0.000 2.359 731 I HA 0.633 4.981 4.170 0.035 -0.157 0.294 731 I C -0.975 175.128 176.117 -0.023 0.000 0.987 731 I CA -3.247 58.068 61.300 0.026 0.000 1.225 731 I CB 0.951 38.996 38.000 0.076 0.000 1.366 731 I HN -0.735 7.480 8.210 0.007 0.000 0.466 732 V N 6.437 126.319 119.914 -0.054 0.000 2.318 732 V HA 0.318 4.390 4.120 -0.079 0.000 0.271 732 V C -1.277 174.716 176.094 -0.168 0.000 1.030 732 V CA -1.389 60.850 62.300 -0.102 0.000 0.844 732 V CB -0.423 31.330 31.823 -0.116 0.000 1.015 732 V HN 0.821 8.986 8.190 -0.042 0.000 0.460 733 V N 9.651 129.485 119.914 -0.133 0.000 2.488 733 V HA 0.599 4.861 4.120 -0.199 -0.261 0.277 733 V C 0.215 176.216 176.094 -0.154 0.000 1.046 733 V CA -0.222 61.989 62.300 -0.148 0.000 0.986 733 V CB 0.565 32.339 31.823 -0.082 0.000 0.989 733 V HN 0.104 8.237 8.190 -0.094 0.000 0.475 734 T N 8.327 122.753 114.554 -0.214 0.000 2.863 734 T HA 0.406 4.724 4.350 -0.053 0.000 0.285 734 T C -0.906 173.892 174.700 0.164 0.000 1.009 734 T CA -1.930 60.105 62.100 -0.108 0.000 0.989 734 T CB 2.253 70.877 68.868 -0.407 0.000 1.004 734 T HN 0.807 8.879 8.240 -0.279 0.000 0.455 735 T N 7.855 122.523 114.554 0.191 0.000 2.784 735 T HA -0.045 4.560 4.350 0.195 -0.138 0.291 735 T C -0.813 174.107 174.700 0.366 0.000 0.942 735 T CA 1.429 63.664 62.100 0.224 0.000 1.161 735 T CB 0.091 69.037 68.868 0.130 0.000 0.885 735 T HN 0.469 8.786 8.240 0.128 0.000 0.534 736 Y N 10.283 130.729 120.300 0.243 0.000 2.452 736 Y HA -0.145 4.689 4.550 0.233 -0.145 0.348 736 Y C -1.505 174.442 175.900 0.078 0.000 0.985 736 Y CA 0.082 58.295 58.100 0.189 0.000 1.214 736 Y CB 0.787 39.325 38.460 0.130 0.000 1.136 736 Y HN 0.415 8.827 8.280 0.400 0.108 0.523 737 E N 7.774 127.759 120.200 -0.358 0.000 2.357 737 E HA 0.175 4.422 4.350 -0.172 0.000 0.202 737 E C -0.212 176.109 176.600 -0.466 0.000 0.855 737 E CA 0.288 56.515 56.400 -0.288 0.000 1.048 737 E CB 1.123 30.748 29.700 -0.124 0.000 1.037 737 E HN 0.439 8.965 8.360 -0.371 -0.388 0.499 738 G N -2.221 106.250 108.800 -0.547 0.000 5.482 738 G HA2 0.144 3.833 3.960 -0.453 0.000 0.208 738 G HA3 0.144 3.955 3.960 -0.249 0.000 0.208 738 G C -1.117 173.549 174.900 -0.390 0.000 0.756 738 G CA 0.172 45.015 45.100 -0.428 0.000 0.682 738 G HN -0.024 7.969 8.290 -0.494 0.000 0.405 739 Q N -0.384 119.047 119.800 -0.615 0.000 2.222 739 Q HA 0.099 4.293 4.340 -0.243 0.000 0.211 739 Q C -0.473 175.456 176.000 -0.119 0.000 1.013 739 Q CA -0.046 55.544 55.803 -0.355 0.000 0.993 739 Q CB 1.262 29.641 28.738 -0.597 0.000 1.151 739 Q HN -0.069 7.483 8.270 -1.196 0.000 0.544 740 E N -0.629 119.489 120.200 -0.138 0.000 2.242 740 E HA 0.186 4.507 4.350 -0.049 0.000 0.275 740 E C -2.025 174.455 176.600 -0.200 0.000 1.002 740 E CA -2.084 54.256 56.400 -0.099 0.000 0.841 740 E CB -0.086 29.561 29.700 -0.089 0.000 1.109 740 E HN 0.138 8.379 8.360 -0.199 0.000 0.394 741 P HA 0.078 3.507 4.420 -1.653 0.000 0.287 741 P C -1.271 175.662 177.300 -0.611 0.000 1.294 741 P CA -0.683 61.801 63.100 -1.026 0.000 0.776 741 P CB 0.437 31.412 31.700 -1.210 0.000 0.889 742 T N 4.603 118.911 114.554 -0.411 0.000 2.829 742 T HA 0.331 4.601 4.350 -0.134 0.000 0.282 742 T C -0.151 174.484 174.700 -0.108 0.000 0.990 742 T CA -3.142 58.886 62.100 -0.120 0.000 1.028 742 T CB 0.679 69.620 68.868 0.121 0.000 0.951 742 T HN -0.058 7.962 8.240 -0.366 0.000 0.460 743 P HA -0.091 4.166 4.420 -0.068 0.123 0.239 743 P C -0.822 176.525 177.300 0.079 0.000 1.184 743 P CA 1.387 64.472 63.100 -0.024 0.000 0.760 743 P CB 0.292 31.980 31.700 -0.020 0.000 0.884 744 E N -4.328 115.948 120.200 0.127 0.000 2.489 744 E HA 0.034 4.489 4.350 0.175 0.000 0.204 744 E C -1.406 175.378 176.600 0.305 0.000 1.006 744 E CA -0.182 56.329 56.400 0.186 0.000 0.936 744 E CB 1.006 30.789 29.700 0.139 0.000 1.002 744 E HN 0.058 8.383 8.360 0.113 0.102 0.488 745 D N -1.068 119.552 120.400 0.366 0.000 2.272 745 D HA 0.326 5.244 4.640 0.463 0.000 0.247 745 D C -1.671 175.019 176.300 0.651 0.000 0.990 745 D CA -0.737 53.593 54.000 0.549 0.000 0.931 745 D CB 3.141 44.433 40.800 0.820 0.000 1.195 745 D HN -0.206 8.148 8.370 0.284 0.187 0.477 746 V N -0.160 120.027 119.914 0.454 0.000 2.604 746 V HA 0.897 5.478 4.120 0.391 -0.227 0.305 746 V C -2.443 173.536 176.094 -0.193 0.000 1.043 746 V CA -2.593 59.819 62.300 0.187 0.000 0.888 746 V CB 3.371 35.172 31.823 -0.036 0.000 0.995 746 V HN 0.151 8.558 8.190 0.362 0.000 0.429 747 L N 8.679 129.429 121.223 -0.788 0.000 2.276 747 L HA 0.614 4.666 4.340 -0.801 -0.192 0.286 747 L C -1.708 174.867 176.870 -0.492 0.000 1.024 747 L CA -1.686 52.523 54.840 -1.052 0.000 0.826 747 L CB 1.219 42.023 42.059 -2.092 0.000 1.211 747 L HN 0.276 8.044 8.230 -0.769 0.000 0.422 748 I N 7.415 127.829 120.570 -0.260 0.000 2.307 748 I HA 0.407 4.724 4.170 -0.052 -0.179 0.289 748 I C -0.993 175.105 176.117 -0.031 0.000 1.021 748 I CA -0.669 60.586 61.300 -0.075 0.000 1.224 748 I CB 0.556 38.566 38.000 0.016 0.000 1.376 748 I HN 1.032 9.101 8.210 -0.235 0.000 0.470 749 T N 8.379 122.938 114.554 0.007 0.000 2.940 749 T HA 0.471 4.895 4.350 0.027 -0.058 0.288 749 T C -2.140 172.622 174.700 0.104 0.000 1.045 749 T CA -2.315 59.805 62.100 0.033 0.000 1.018 749 T CB 2.957 71.825 68.868 0.001 0.000 1.151 749 T HN 0.744 8.994 8.240 0.018 0.000 0.529 750 D N 1.714 122.161 120.400 0.079 0.000 2.256 750 D HA 0.382 5.251 4.640 0.153 -0.137 0.246 750 D C -0.709 175.637 176.300 0.076 0.000 1.042 750 D CA -0.951 53.102 54.000 0.090 0.000 0.841 750 D CB 2.490 43.312 40.800 0.038 0.000 1.223 750 D HN -0.310 8.094 8.370 0.058 0.000 0.470 751 E N 2.653 122.906 120.200 0.088 0.000 9.214 751 E HA -0.419 3.978 4.350 0.078 0.000 0.465 751 E C -1.451 175.193 176.600 0.073 0.000 1.407 751 E CA 1.220 57.664 56.400 0.073 0.000 2.446 751 E CB 0.595 30.325 29.700 0.049 0.000 1.031 751 E HN 0.603 9.034 8.360 0.117 0.000 0.329 752 V N 2.132 122.091 119.914 0.076 0.000 2.509 752 V HA -0.078 4.081 4.120 0.064 0.000 0.297 752 V C -0.355 175.777 176.094 0.063 0.000 1.014 752 V CA 1.132 63.474 62.300 0.071 0.000 1.127 752 V CB 0.330 32.202 31.823 0.081 0.000 0.925 752 V HN 0.000 8.242 8.190 0.086 0.000 0.480 753 V N 6.405 126.354 119.914 0.058 0.000 2.837 753 V HA 0.201 4.359 4.120 0.062 0.000 0.310 753 V C -0.603 175.527 176.094 0.060 0.000 1.059 753 V CA -0.556 61.780 62.300 0.060 0.000 1.004 753 V CB 1.920 33.776 31.823 0.056 0.000 1.045 753 V HN -0.216 8.007 8.190 0.055 0.000 0.465 754 S N 3.696 119.436 115.700 0.066 0.000 2.588 754 S HA 0.155 4.658 4.470 0.054 0.000 0.245 754 S C -0.762 173.883 174.600 0.074 0.000 1.021 754 S CA -0.281 57.956 58.200 0.061 0.000 1.006 754 S CB 0.067 63.300 63.200 0.054 0.000 0.830 754 S HN 0.246 8.599 8.310 0.072 0.000 0.468 755 K N 1.148 121.603 120.400 0.091 0.000 2.352 755 K HA 0.210 4.593 4.320 0.106 0.000 0.240 755 K C -0.916 175.758 176.600 0.123 0.000 1.017 755 K CA -0.377 55.981 56.287 0.119 0.000 0.851 755 K CB 1.238 33.839 32.500 0.169 0.000 1.261 755 K HN -0.658 7.565 8.250 0.086 0.079 0.451 756 K N 0.100 120.586 120.400 0.143 0.000 2.329 756 K HA 0.107 4.499 4.320 0.120 0.000 0.198 756 K C -0.358 176.385 176.600 0.239 0.000 1.085 756 K CA -0.116 56.254 56.287 0.139 0.000 0.961 756 K CB 0.915 33.465 32.500 0.082 0.000 0.971 756 K HN 0.254 8.593 8.250 0.147 0.000 0.502 757 W N -0.973 120.324 121.300 -0.005 0.000 3.422 757 W HA -0.257 4.380 4.660 -0.038 0.000 0.444 757 W C -1.018 175.496 176.519 -0.007 0.000 1.806 757 W CA -0.219 57.110 57.345 -0.027 0.000 0.533 757 W CB -0.521 28.905 29.460 -0.057 0.000 2.872 757 W HN -0.080 8.239 8.180 0.231 0.000 0.563 758 Q N 6.308 125.925 119.800 -0.306 0.000 3.159 758 Q HA -0.008 4.247 4.340 -0.141 0.000 0.280 758 Q C -1.348 174.366 176.000 -0.476 0.000 1.403 758 Q CA 0.131 55.767 55.803 -0.279 0.000 0.957 758 Q CB -1.974 26.653 28.738 -0.185 0.000 1.729 758 Q HN 0.253 8.361 8.270 -0.270 0.000 0.551 759 G N -1.870 106.598 108.800 -0.553 0.000 3.252 759 G HA2 0.502 4.292 3.960 -0.365 0.000 0.181 759 G HA3 0.502 4.058 3.960 -0.739 -0.039 0.181 759 G C -1.342 173.563 174.900 0.009 0.000 1.187 759 G CA -0.803 44.038 45.100 -0.432 0.000 0.886 759 G HN -0.222 7.792 8.290 -0.368 0.055 0.615 760 R N -0.155 120.467 120.500 0.205 0.000 2.062 760 R HA -0.138 4.296 4.340 0.157 0.000 0.226 760 R C -0.720 175.734 176.300 0.257 0.000 1.125 760 R CA 2.466 58.699 56.100 0.222 0.000 0.966 760 R CB 1.821 32.273 30.300 0.252 0.000 0.861 760 R HN 0.108 8.560 8.270 0.304 0.000 0.433 761 A N -6.680 116.354 122.820 0.357 0.000 2.597 761 A HA 0.398 5.063 4.320 0.304 -0.162 0.292 761 A C -2.996 174.736 177.584 0.246 0.000 1.057 761 A CA -0.381 51.832 52.037 0.293 0.000 0.674 761 A CB 3.407 22.518 19.000 0.185 0.000 1.278 761 A HN -0.769 7.688 8.150 0.511 0.000 0.416 762 V N 0.127 120.146 119.914 0.175 0.000 2.709 762 V HA 0.718 4.868 4.120 -0.208 -0.155 0.308 762 V C -2.653 173.469 176.094 0.046 0.000 1.062 762 V CA -2.845 59.447 62.300 -0.014 0.000 0.901 762 V CB 4.528 36.347 31.823 -0.006 0.000 1.003 762 V HN 0.540 8.775 8.190 0.247 0.104 0.425 763 V N 9.448 129.344 119.914 -0.031 0.000 2.409 763 V HA 0.411 4.731 4.120 0.066 -0.160 0.291 763 V C -1.199 174.904 176.094 0.015 0.000 1.020 763 V CA -1.074 61.227 62.300 0.001 0.000 0.848 763 V CB 2.603 34.399 31.823 -0.044 0.000 0.990 763 V HN 0.993 9.004 8.190 -0.114 0.111 0.430 764 T N 10.201 124.759 114.554 0.006 0.000 2.947 764 T HA 0.359 4.893 4.350 0.080 -0.135 0.337 764 T C -1.049 173.659 174.700 0.013 0.000 1.139 764 T CA -0.455 61.668 62.100 0.039 0.000 0.992 764 T CB 0.155 69.046 68.868 0.040 0.000 1.043 764 T HN 0.741 8.879 8.240 0.009 0.108 0.498 765 F N 8.290 128.257 119.950 0.028 0.000 2.471 765 F HA 0.196 4.955 4.527 0.038 -0.209 0.365 765 F C -0.330 175.476 175.800 0.010 0.000 1.095 765 F CA -0.071 57.941 58.000 0.019 0.000 1.174 765 F CB 0.914 39.910 39.000 -0.006 0.000 1.105 765 F HN 0.245 8.759 8.300 0.357 0.000 0.535 766 C N 4.936 124.323 119.300 0.146 0.000 2.369 766 C HA 0.396 4.915 4.460 0.099 0.000 0.358 766 C C 0.318 175.356 174.990 0.079 0.000 1.274 766 C CA -1.263 57.813 59.018 0.097 0.000 1.935 766 C CB 0.320 28.101 27.740 0.067 0.000 2.431 766 C HN 0.345 8.511 8.230 0.098 0.123 0.545 767 R N 4.753 125.287 120.500 0.058 0.000 2.225 767 R HA 0.125 4.478 4.340 0.021 0.000 0.194 767 R C 0.536 176.839 176.300 0.004 0.000 0.949 767 R CA 1.179 57.293 56.100 0.023 0.000 1.088 767 R CB 1.216 31.520 30.300 0.007 0.000 1.106 767 R HN 1.005 9.719 8.270 0.061 -0.407 0.566 768 R N -4.616 115.890 120.500 0.009 0.000 3.969 768 R HA 0.160 4.508 4.340 0.014 0.000 0.120 768 R C -0.423 175.962 176.300 0.143 0.000 0.681 768 R CA 0.669 56.764 56.100 -0.008 0.000 1.259 768 R CB 3.221 33.414 30.300 -0.178 0.000 1.619 768 R HN -0.155 8.613 8.270 0.029 -0.480 0.452 769 H N -0.619 118.461 119.070 0.017 0.000 2.529 769 H HA 0.214 4.778 4.556 0.014 0.000 0.348 769 H C -1.207 174.133 175.328 0.020 0.000 1.152 769 H CA -1.246 54.812 56.048 0.016 0.000 1.202 769 H CB 2.490 32.261 29.762 0.015 0.000 1.562 769 H HN 0.179 9.084 8.280 0.085 -0.575 0.515 770 I N -0.949 119.692 120.570 0.117 0.000 3.449 770 I HA 0.101 4.315 4.170 0.072 0.000 0.294 770 I C -0.047 176.089 176.117 0.032 0.000 1.163 770 I CA -0.428 60.908 61.300 0.060 0.000 1.010 770 I CB 1.209 39.230 38.000 0.034 0.000 1.307 770 I HN 0.256 8.507 8.210 0.069 0.000 0.518 771 G N -0.076 108.737 108.800 0.022 0.000 3.976 771 G HA2 -0.191 3.769 3.960 -0.001 0.000 0.178 771 G HA3 -0.191 3.782 3.960 0.021 0.000 0.178 771 G C -1.034 173.875 174.900 0.015 0.000 0.859 771 G CA 0.278 45.386 45.100 0.013 0.000 0.895 771 G HN 0.203 8.507 8.290 0.024 0.000 0.390 772 I N 2.351 122.935 120.570 0.023 0.000 2.581 772 I HA 0.248 4.430 4.170 0.020 0.000 0.288 772 I C -1.012 175.108 176.117 0.005 0.000 1.047 772 I CA -3.097 58.215 61.300 0.020 0.000 1.374 772 I CB 0.161 38.179 38.000 0.031 0.000 1.423 772 I HN -0.444 7.784 8.210 0.031 0.000 0.549 773 P HA -0.027 4.378 4.420 -0.025 0.000 0.206 773 P C -1.479 175.796 177.300 -0.041 0.000 1.093 773 P CA 0.808 63.893 63.100 -0.024 0.000 0.703 773 P CB 0.447 32.129 31.700 -0.030 0.000 0.622 774 L N -10.483 110.697 121.223 -0.072 0.000 2.676 774 L HA 0.313 4.692 4.340 -0.097 -0.097 0.315 774 L C -0.300 176.438 176.870 -0.219 0.000 0.723 774 L CA -0.240 54.523 54.840 -0.128 0.000 1.139 774 L CB -0.212 41.766 42.059 -0.135 0.000 1.715 774 L HN -0.640 7.549 8.230 -0.068 0.000 0.339 775 E N 1.117 121.082 120.200 -0.392 0.000 2.510 775 E HA -0.259 3.870 4.350 -0.610 -0.144 0.202 775 E C 0.741 177.159 176.600 -0.304 0.000 1.072 775 E CA 2.552 58.626 56.400 -0.543 0.000 0.883 775 E CB -0.995 28.201 29.700 -0.840 0.000 0.818 775 E HN 0.596 8.713 8.360 -0.404 0.000 0.548 776 K N -4.929 115.350 120.400 -0.202 0.000 2.432 776 K HA -0.076 4.166 4.320 -0.129 0.000 0.196 776 K C -0.348 176.195 176.600 -0.095 0.000 1.038 776 K CA 0.379 56.589 56.287 -0.130 0.000 0.986 776 K CB -0.338 32.104 32.500 -0.098 0.000 0.782 776 K HN -0.405 7.628 8.250 -0.197 0.099 0.485 777 A N 2.097 124.859 122.820 -0.097 0.000 2.294 777 A HA 0.369 4.666 4.320 -0.037 0.000 0.330 777 A C -2.157 175.405 177.584 -0.038 0.000 1.133 777 A CA -2.806 49.201 52.037 -0.050 0.000 0.836 777 A CB -0.127 18.859 19.000 -0.024 0.000 1.190 777 A HN 0.119 8.011 8.150 -0.133 0.178 0.492 778 P HA -0.108 4.322 4.420 0.015 0.000 0.231 778 P C -0.712 176.633 177.300 0.075 0.000 1.756 778 P CA 0.009 63.124 63.100 0.026 0.000 0.990 778 P CB -1.843 29.871 31.700 0.024 0.000 1.973 779 G N 0.801 109.655 108.800 0.090 0.000 2.462 779 G HA2 -0.264 3.876 3.960 0.299 0.000 0.124 779 G HA3 -0.264 3.823 3.960 0.210 0.000 0.124 779 G C -2.071 172.970 174.900 0.234 0.000 1.062 779 G CA -0.169 45.055 45.100 0.207 0.000 0.764 779 G HN 0.325 8.552 8.290 0.021 0.075 0.485 780 E N -0.093 120.175 120.200 0.113 0.000 2.293 780 E HA 0.875 5.560 4.350 0.222 -0.202 0.270 780 E C -2.535 174.048 176.600 -0.028 0.000 0.879 780 E CA -2.064 54.403 56.400 0.110 0.000 0.756 780 E CB 4.353 34.067 29.700 0.023 0.000 1.208 780 E HN -0.843 7.491 8.360 -0.044 0.000 0.428 781 W N 1.357 122.623 121.300 -0.057 0.000 2.802 781 W HA 0.193 4.803 4.660 -0.084 0.000 0.331 781 W C -1.819 174.627 176.519 -0.121 0.000 1.021 781 W CA -0.721 56.567 57.345 -0.094 0.000 1.259 781 W CB 2.279 31.670 29.460 -0.116 0.000 1.323 781 W HN 0.493 8.837 8.180 0.273 0.000 0.432 782 V N -1.548 118.396 119.914 0.050 0.000 2.547 782 V HA 0.755 5.082 4.120 -0.006 -0.211 0.299 782 V C -1.128 174.997 176.094 0.052 0.000 1.040 782 V CA -2.559 59.751 62.300 0.017 0.000 0.913 782 V CB 2.459 34.288 31.823 0.010 0.000 0.992 782 V HN 0.335 8.516 8.190 -0.015 0.000 0.449 783 H N 5.248 124.230 119.070 -0.146 0.000 3.163 783 H HA 0.228 4.745 4.556 -0.065 0.000 0.322 783 H C -1.051 174.228 175.328 -0.081 0.000 1.047 783 H CA -0.658 55.313 56.048 -0.129 0.000 1.418 783 H CB 3.148 32.800 29.762 -0.184 0.000 2.016 783 H HN 0.330 8.586 8.280 -0.041 0.000 0.454 784 S N 8.045 123.703 115.700 -0.070 0.000 2.416 784 S HA 0.263 4.921 4.470 0.009 -0.184 0.302 784 S C -1.026 173.443 174.600 -0.218 0.000 1.120 784 S CA 0.177 58.329 58.200 -0.079 0.000 1.067 784 S CB -0.526 62.663 63.200 -0.017 0.000 1.057 784 S HN 0.200 8.540 8.310 0.050 0.000 0.518 785 V N -0.152 119.715 119.914 -0.079 0.000 3.203 785 V HA 0.297 4.345 4.120 -0.121 0.000 0.305 785 V C -1.845 174.279 176.094 0.050 0.000 1.361 785 V CA -1.835 60.420 62.300 -0.073 0.000 1.066 785 V CB 2.344 34.069 31.823 -0.163 0.000 1.085 785 V HN -0.518 7.736 8.190 0.107 0.000 0.456 786 A N 0.281 123.073 122.820 -0.048 0.000 2.793 786 A HA 0.288 4.517 4.320 -0.151 0.000 0.301 786 A C -0.397 177.021 177.584 -0.276 0.000 1.172 786 A CA -1.021 50.926 52.037 -0.150 0.000 0.973 786 A CB -0.938 17.969 19.000 -0.154 0.000 1.164 786 A HN 0.273 8.381 8.150 -0.069 0.000 0.542 787 A N -1.919 120.803 122.820 -0.164 0.000 2.429 787 A HA -0.242 4.143 4.320 0.107 0.000 0.290 787 A C -1.983 175.434 177.584 -0.278 0.000 1.439 787 A CA -0.011 51.911 52.037 -0.191 0.000 0.731 787 A CB -1.811 16.958 19.000 -0.385 0.000 1.138 787 A HN -0.034 8.084 8.150 0.069 0.074 0.384 788 P HA -0.099 4.269 4.420 -0.086 0.000 0.211 788 P C -0.593 176.845 177.300 0.230 0.000 1.191 788 P CA 0.949 64.068 63.100 0.032 0.000 0.909 788 P CB 0.424 32.206 31.700 0.137 0.000 0.770 789 H N -11.077 108.051 119.070 0.097 0.000 2.358 789 H HA 0.034 4.695 4.556 0.175 0.000 0.165 789 H C -0.371 175.020 175.328 0.106 0.000 1.039 789 H CA 0.482 56.607 56.048 0.129 0.000 0.690 789 H CB -0.337 29.492 29.762 0.111 0.000 1.125 789 H HN -0.324 8.083 8.280 0.212 0.000 0.480 790 E N 1.409 121.465 120.200 -0.240 0.000 2.060 790 E HA -0.171 3.859 4.350 -0.535 0.000 0.189 790 E C 1.821 178.350 176.600 -0.118 0.000 0.974 790 E CA 2.076 58.299 56.400 -0.295 0.000 0.808 790 E CB -0.688 28.931 29.700 -0.135 0.000 0.768 790 E HN 0.354 8.709 8.360 -0.008 0.000 0.453 791 L N -0.680 120.547 121.223 0.007 0.000 2.072 791 L HA 0.068 4.330 4.340 -0.129 0.000 0.205 791 L C -0.755 176.106 176.870 -0.014 0.000 1.079 791 L CA 4.390 59.215 54.840 -0.025 0.000 0.752 791 L CB -2.263 39.785 42.059 -0.019 0.000 0.906 791 L HN 0.095 8.384 8.230 0.098 0.000 0.436 792 P HA -0.225 4.215 4.420 0.035 0.000 0.216 792 P C 0.872 178.156 177.300 -0.027 0.000 1.150 792 P CA 2.907 66.035 63.100 0.047 0.000 0.843 792 P CB -0.918 30.851 31.700 0.116 0.000 0.787 793 A N -2.661 120.130 122.820 -0.049 0.000 1.930 793 A HA -0.261 4.037 4.320 -0.038 0.000 0.217 793 A C 1.849 179.360 177.584 -0.122 0.000 1.175 793 A CA 2.941 54.934 52.037 -0.073 0.000 0.627 793 A CB -0.589 18.351 19.000 -0.100 0.000 0.815 793 A HN -0.692 7.334 8.150 -0.047 0.095 0.443 794 L N -0.438 120.674 121.223 -0.185 0.000 2.083 794 L HA -0.258 3.923 4.340 -0.264 0.000 0.209 794 L C 1.755 178.425 176.870 -0.334 0.000 1.083 794 L CA 3.014 57.670 54.840 -0.307 0.000 0.752 794 L CB -0.491 41.288 42.059 -0.465 0.000 0.899 794 L HN -0.105 7.934 8.230 -0.168 0.090 0.433 795 L N -1.266 119.789 121.223 -0.280 0.000 2.046 795 L HA -0.365 3.746 4.340 -0.383 0.000 0.208 795 L C 2.010 178.749 176.870 -0.217 0.000 1.077 795 L CA 3.351 58.014 54.840 -0.294 0.000 0.747 795 L CB -1.202 40.714 42.059 -0.239 0.000 0.896 795 L HN 0.079 8.083 8.230 -0.224 0.092 0.432 796 A N -2.230 120.521 122.820 -0.114 0.000 1.969 796 A HA -0.390 3.947 4.320 0.027 0.000 0.218 796 A C 1.304 178.887 177.584 -0.002 0.000 1.169 796 A CA 2.943 54.967 52.037 -0.022 0.000 0.635 796 A CB -0.531 18.465 19.000 -0.006 0.000 0.810 796 A HN -0.221 7.791 8.150 -0.111 0.072 0.445 797 R N -1.172 119.294 120.500 -0.057 0.000 2.073 797 R HA -0.217 4.120 4.340 -0.006 0.000 0.229 797 R C 2.274 178.564 176.300 -0.018 0.000 1.120 797 R CA 2.411 58.488 56.100 -0.039 0.000 0.967 797 R CB -0.293 29.962 30.300 -0.075 0.000 0.862 797 R HN -0.343 7.749 8.270 -0.103 0.117 0.436 798 I N -0.979 119.545 120.570 -0.077 0.000 2.394 798 I HA -0.398 3.772 4.170 0.000 0.000 0.251 798 I C 1.526 177.724 176.117 0.136 0.000 1.136 798 I CA 3.183 64.464 61.300 -0.032 0.000 1.425 798 I CB 0.271 38.170 38.000 -0.168 0.000 1.079 798 I HN 0.026 8.139 8.210 -0.162 0.000 0.425 799 Y N -2.464 117.814 120.300 -0.038 0.000 2.420 799 Y HA -0.170 4.378 4.550 -0.003 0.000 0.292 799 Y C 0.719 176.613 175.900 -0.009 0.000 1.119 799 Y CA -0.581 57.509 58.100 -0.016 0.000 1.229 799 Y CB 1.010 39.457 38.460 -0.021 0.000 1.026 799 Y HN -0.547 7.776 8.280 0.101 0.017 0.554 800 L N -3.895 117.413 121.223 0.142 0.000 3.512 800 L HA -0.407 3.965 4.340 0.054 0.000 0.446 800 L C -1.044 175.856 176.870 0.050 0.000 1.290 800 L CA 0.253 55.135 54.840 0.070 0.000 0.871 800 L CB -2.204 39.886 42.059 0.052 0.000 1.767 800 L HN -0.310 7.868 8.230 0.132 0.131 0.855 801 I N -4.343 116.266 120.570 0.065 0.000 2.385 801 I HA -0.133 4.048 4.170 0.019 0.000 0.244 801 I C 0.198 176.331 176.117 0.027 0.000 1.089 801 I CA 1.665 62.989 61.300 0.040 0.000 1.410 801 I CB 0.935 38.969 38.000 0.057 0.000 1.117 801 I HN -0.585 7.683 8.210 0.095 0.000 0.429 802 E N -4.061 116.156 120.200 0.029 0.000 2.297 802 E HA -0.407 3.955 4.350 0.020 0.000 0.228 802 E C -0.454 176.156 176.600 0.016 0.000 1.213 802 E CA 0.659 57.071 56.400 0.021 0.000 0.712 802 E CB -2.677 27.034 29.700 0.019 0.000 1.202 802 E HN -0.054 8.328 8.360 0.037 0.000 0.376 803 M N -2.200 117.410 119.600 0.016 0.000 2.466 803 M HA -0.021 4.464 4.480 0.009 0.000 0.265 803 M C 0.084 176.390 176.300 0.011 0.000 1.122 803 M CA 1.806 57.112 55.300 0.011 0.000 1.157 803 M CB 1.093 33.698 32.600 0.008 0.000 1.352 803 M HN 0.007 8.309 8.290 0.020 0.000 0.464 804 E N 0.225 120.434 120.200 0.015 0.000 2.109 804 E HA 0.113 4.470 4.350 0.013 0.000 0.278 804 E C -0.681 175.933 176.600 0.024 0.000 0.954 804 E CA -0.646 55.764 56.400 0.017 0.000 0.779 804 E CB 0.603 30.314 29.700 0.018 0.000 1.093 804 E HN -0.136 8.234 8.360 0.017 0.000 0.401 805 S N 6.256 121.969 115.700 0.022 0.000 3.869 805 S HA 0.138 4.625 4.470 0.028 0.000 0.241 805 S C -0.310 174.312 174.600 0.037 0.000 1.363 805 S CA -0.236 57.980 58.200 0.027 0.000 0.894 805 S CB -0.534 62.678 63.200 0.020 0.000 1.519 805 S HN 0.394 8.714 8.310 0.017 0.000 0.470 806 D N 3.724 124.156 120.400 0.054 0.000 2.234 806 D HA -0.049 4.629 4.640 0.064 0.000 0.205 806 D C -0.338 176.018 176.300 0.094 0.000 0.962 806 D CA 0.830 54.879 54.000 0.082 0.000 0.855 806 D CB 0.654 41.532 40.800 0.130 0.000 0.951 806 D HN -0.269 8.096 8.370 0.052 0.036 0.500 807 D N -0.717 119.732 120.400 0.082 0.000 3.437 807 D HA -0.148 4.531 4.640 0.064 0.000 0.243 807 D C -1.729 174.658 176.300 0.145 0.000 1.104 807 D CA -0.075 53.975 54.000 0.083 0.000 1.009 807 D CB -0.102 40.735 40.800 0.061 0.000 0.937 807 D HN 0.107 8.483 8.370 0.065 0.033 0.417 808 P HA -0.102 4.513 4.420 0.325 0.000 0.216 808 P C -0.584 176.811 177.300 0.158 0.000 1.153 808 P CA 0.496 63.682 63.100 0.143 0.000 0.848 808 P CB 0.621 32.299 31.700 -0.037 0.000 0.787 809 A N -2.132 120.740 122.820 0.088 0.000 5.308 809 A HA -0.493 3.857 4.320 0.051 0.000 0.321 809 A C -1.069 176.550 177.584 0.058 0.000 1.849 809 A CA 1.942 54.022 52.037 0.071 0.000 0.713 809 A CB -1.489 17.561 19.000 0.084 0.000 1.360 809 A HN 0.158 8.348 8.150 0.068 0.000 0.384 810 N N -1.035 117.711 118.700 0.078 0.000 2.647 810 N HA -0.056 4.718 4.740 0.058 0.000 0.259 810 N C -0.407 175.157 175.510 0.091 0.000 1.098 810 N CA 0.168 53.258 53.050 0.067 0.000 0.984 810 N CB 0.401 38.911 38.487 0.038 0.000 1.683 810 N HN -0.372 8.062 8.380 0.089 0.000 0.501 811 A N 4.091 126.977 122.820 0.110 0.000 1.970 811 A HA 0.109 4.493 4.320 0.107 0.000 0.216 811 A C -0.628 177.001 177.584 0.075 0.000 1.170 811 A CA 1.186 53.289 52.037 0.109 0.000 0.645 811 A CB 0.534 19.617 19.000 0.139 0.000 0.816 811 A HN 0.470 8.684 8.150 0.107 0.000 0.447 812 L N -2.327 118.936 121.223 0.066 0.000 2.592 812 L HA 0.290 4.655 4.340 0.042 0.000 0.258 812 L C -2.761 174.129 176.870 0.034 0.000 0.926 812 L CA -1.975 52.894 54.840 0.049 0.000 0.885 812 L CB 3.148 45.241 42.059 0.056 0.000 1.380 812 L HN -0.734 7.756 8.230 0.067 -0.220 0.415 813 P HA 0.223 4.648 4.420 0.008 0.000 0.241 813 P C -0.989 176.315 177.300 0.006 0.000 1.760 813 P CA -0.116 62.991 63.100 0.012 0.000 1.081 813 P CB -1.629 30.078 31.700 0.011 0.000 1.975 814 S N 2.878 118.580 115.700 0.002 0.000 2.353 814 S HA -0.276 4.201 4.470 0.012 0.000 0.222 814 S C 0.088 174.679 174.600 -0.015 0.000 1.035 814 S CA 2.314 60.513 58.200 -0.002 0.000 1.025 814 S CB 0.276 63.467 63.200 -0.014 0.000 0.902 814 S HN 0.220 8.488 8.310 0.001 0.043 0.440 815 T N 0.949 115.487 114.554 -0.028 0.000 2.952 815 T HA 0.144 4.480 4.350 -0.024 0.000 0.305 815 T C -1.593 173.090 174.700 -0.028 0.000 1.064 815 T CA -0.557 61.524 62.100 -0.032 0.000 1.008 815 T CB 2.744 71.582 68.868 -0.051 0.000 1.078 815 T HN -0.545 7.676 8.240 -0.032 0.000 0.459 816 D N 3.535 123.921 120.400 -0.023 0.000 2.346 816 D HA -0.095 4.537 4.640 -0.013 0.000 0.260 816 D C -0.134 176.151 176.300 -0.025 0.000 1.252 816 D CA 0.326 54.315 54.000 -0.018 0.000 0.895 816 D CB 0.524 41.316 40.800 -0.014 0.000 1.097 816 D HN 0.201 8.558 8.370 -0.022 0.000 0.489 817 K N 4.982 125.369 120.400 -0.022 0.000 2.234 817 K HA 0.108 4.405 4.320 -0.039 0.000 0.277 817 K C -0.777 175.813 176.600 -0.015 0.000 1.038 817 K CA -0.810 55.462 56.287 -0.026 0.000 0.888 817 K CB 1.114 33.600 32.500 -0.023 0.000 1.091 817 K HN 0.129 8.370 8.250 -0.015 0.000 0.467 818 A N 5.059 127.867 122.820 -0.019 0.000 2.404 818 A HA 0.079 4.394 4.320 -0.007 0.000 0.273 818 A C -0.491 177.090 177.584 -0.005 0.000 1.144 818 A CA -0.220 51.810 52.037 -0.011 0.000 0.806 818 A CB 0.422 19.413 19.000 -0.014 0.000 1.080 818 A HN 0.454 8.587 8.150 -0.028 0.000 0.509 819 V N 4.564 124.479 119.914 0.002 0.000 2.284 819 V HA 0.067 4.195 4.120 0.013 0.000 0.260 819 V C -0.548 175.553 176.094 0.010 0.000 1.084 819 V CA -0.088 62.219 62.300 0.011 0.000 0.894 819 V CB -1.007 30.825 31.823 0.016 0.000 1.119 819 V HN 0.299 8.490 8.190 0.002 0.000 0.484 820 S N 8.419 124.126 115.700 0.011 0.000 2.474 820 S HA 0.215 4.691 4.470 0.011 0.000 0.320 820 S C -1.185 173.427 174.600 0.022 0.000 1.067 820 S CA -0.528 57.679 58.200 0.012 0.000 1.127 820 S CB 0.419 63.623 63.200 0.007 0.000 0.971 820 S HN 0.178 8.493 8.310 0.009 0.000 0.472 821 D N 3.395 123.809 120.400 0.024 0.000 2.505 821 D HA 0.128 4.793 4.640 0.041 0.000 0.249 821 D C -1.032 175.286 176.300 0.031 0.000 1.082 821 D CA 0.376 54.395 54.000 0.033 0.000 0.839 821 D CB 1.869 42.690 40.800 0.034 0.000 1.317 821 D HN 0.144 8.525 8.370 0.018 0.000 0.497 822 N N 3.456 122.182 118.700 0.044 0.000 2.323 822 N HA -0.095 4.664 4.740 0.031 0.000 0.318 822 N C -0.851 174.701 175.510 0.070 0.000 0.772 822 N CA 1.035 54.111 53.050 0.043 0.000 0.619 822 N CB 0.879 39.386 38.487 0.035 0.000 2.293 822 N HN 0.398 8.812 8.380 0.056 0.000 1.086 823 D N 0.683 121.140 120.400 0.094 0.000 2.619 823 D HA 0.023 4.772 4.640 0.182 0.000 0.224 823 D C -1.162 175.265 176.300 0.211 0.000 1.133 823 D CA 0.568 54.667 54.000 0.164 0.000 1.017 823 D CB -0.675 40.209 40.800 0.139 0.000 1.077 823 D HN 0.050 8.466 8.370 0.077 0.000 0.503 824 D N 3.501 123.990 120.400 0.147 0.000 2.513 824 D HA 0.129 4.872 4.640 0.171 0.000 0.295 824 D C -1.530 174.777 176.300 0.013 0.000 1.202 824 D CA -0.265 53.803 54.000 0.113 0.000 0.849 824 D CB 0.787 41.637 40.800 0.084 0.000 1.116 824 D HN -0.449 7.938 8.370 0.106 0.046 0.502 825 M N 4.464 123.969 119.600 -0.159 0.000 2.069 825 M HA 0.117 4.472 4.480 -0.209 0.000 0.349 825 M C -1.497 174.632 176.300 -0.284 0.000 1.194 825 M CA -0.104 54.951 55.300 -0.409 0.000 1.081 825 M CB 0.961 32.942 32.600 -1.031 0.000 1.500 825 M HN -0.197 8.053 8.290 -0.066 0.000 0.438 826 M N 7.668 127.193 119.600 -0.126 0.000 2.088 826 M HA 0.245 4.856 4.480 -0.032 -0.150 0.346 826 M C -2.124 174.122 176.300 -0.089 0.000 1.111 826 M CA -0.592 54.669 55.300 -0.065 0.000 1.017 826 M CB 1.761 34.348 32.600 -0.021 0.000 1.568 826 M HN 0.371 8.607 8.290 -0.091 0.000 0.445 827 I N 5.978 126.515 120.570 -0.056 0.000 2.354 827 I HA 0.511 4.786 4.170 -0.063 -0.143 0.292 827 I C -2.003 174.101 176.117 -0.022 0.000 0.989 827 I CA -2.739 58.536 61.300 -0.041 0.000 1.188 827 I CB 0.736 38.729 38.000 -0.013 0.000 1.342 827 I HN 1.008 9.202 8.210 -0.026 0.000 0.457 828 L N 8.559 129.763 121.223 -0.031 0.000 2.296 828 L HA 0.631 5.115 4.340 -0.018 -0.155 0.286 828 L C -2.493 174.369 176.870 -0.013 0.000 1.023 828 L CA -1.350 53.475 54.840 -0.025 0.000 0.812 828 L CB 2.928 44.964 42.059 -0.040 0.000 1.223 828 L HN 0.423 8.627 8.230 -0.044 0.000 0.421 829 V N 7.173 127.083 119.914 -0.007 0.000 2.334 829 V HA 0.513 4.772 4.120 0.002 -0.138 0.281 829 V C -2.524 173.567 176.094 -0.004 0.000 1.016 829 V CA -1.868 60.432 62.300 0.000 0.000 0.832 829 V CB 2.589 34.417 31.823 0.009 0.000 0.999 829 V HN 0.987 9.172 8.190 -0.008 0.000 0.439 830 V N 10.336 130.248 119.914 -0.004 0.000 2.311 830 V HA 0.555 4.839 4.120 -0.006 -0.167 0.275 830 V C -1.879 174.217 176.094 0.003 0.000 1.022 830 V CA -1.704 60.593 62.300 -0.004 0.000 0.830 830 V CB -0.073 31.744 31.823 -0.011 0.000 1.012 830 V HN 1.022 9.210 8.190 -0.003 0.000 0.452 831 D N 7.437 127.844 120.400 0.012 0.000 2.362 831 D HA 0.505 5.376 4.640 0.014 -0.222 0.247 831 D C 0.171 176.493 176.300 0.037 0.000 1.050 831 D CA -2.190 51.824 54.000 0.024 0.000 0.839 831 D CB 3.529 44.352 40.800 0.038 0.000 1.283 831 D HN -0.290 8.086 8.370 0.010 0.000 0.477 832 D N 4.048 124.468 120.400 0.033 0.000 2.269 832 D HA -0.262 4.406 4.640 0.047 0.000 0.208 832 D C -0.522 175.882 176.300 0.173 0.000 0.963 832 D CA 1.920 55.951 54.000 0.052 0.000 0.864 832 D CB 0.750 41.544 40.800 -0.011 0.000 0.936 832 D HN -0.144 8.231 8.370 0.008 0.000 0.505 833 H N 1.131 120.202 119.070 0.001 0.000 2.638 833 H HA 0.431 4.988 4.556 0.003 0.000 0.303 833 H C -1.397 173.933 175.328 0.003 0.000 1.034 833 H CA -3.385 52.664 56.048 0.003 0.000 1.225 833 H CB 1.883 31.647 29.762 0.004 0.000 1.394 833 H HN 0.060 8.857 8.280 0.154 -0.424 0.477 834 P HA -0.296 4.141 4.420 0.027 0.000 0.216 834 P C 1.018 178.327 177.300 0.015 0.000 1.154 834 P CA 2.954 66.066 63.100 0.019 0.000 0.865 834 P CB 0.348 32.042 31.700 -0.009 0.000 0.789 835 I N -4.394 116.172 120.570 -0.008 0.000 2.315 835 I HA -0.347 3.827 4.170 0.006 0.000 0.248 835 I C 1.945 178.078 176.117 0.027 0.000 1.117 835 I CA 2.761 64.062 61.300 0.001 0.000 1.404 835 I CB -0.549 37.436 38.000 -0.025 0.000 1.071 835 I HN 0.036 8.216 8.210 -0.050 0.000 0.419 836 N N -0.547 118.186 118.700 0.055 0.000 2.250 836 N HA -0.247 4.522 4.740 0.049 0.000 0.181 836 N C 1.569 177.108 175.510 0.048 0.000 1.017 836 N CA 3.572 56.659 53.050 0.063 0.000 0.866 836 N CB -0.118 38.427 38.487 0.096 0.000 0.985 836 N HN -0.507 7.906 8.380 0.073 0.011 0.429 837 R N 0.879 121.409 120.500 0.050 0.000 2.096 837 R HA -0.445 3.914 4.340 0.032 0.000 0.240 837 R C 2.125 178.441 176.300 0.026 0.000 1.139 837 R CA 3.535 59.655 56.100 0.034 0.000 0.952 837 R CB 0.041 30.359 30.300 0.030 0.000 0.854 837 R HN 0.401 8.639 8.270 0.064 0.070 0.436 838 R N -2.254 118.262 120.500 0.026 0.000 2.148 838 R HA -0.152 4.203 4.340 0.025 0.000 0.223 838 R C 2.248 178.564 176.300 0.026 0.000 1.088 838 R CA 2.521 58.637 56.100 0.026 0.000 0.985 838 R CB -0.987 29.331 30.300 0.029 0.000 0.880 838 R HN -0.274 8.012 8.270 0.027 0.000 0.451 839 L N -0.424 120.815 121.223 0.027 0.000 2.005 839 L HA -0.298 4.055 4.340 0.022 0.000 0.207 839 L C 2.039 178.923 176.870 0.023 0.000 1.072 839 L CA 3.315 58.169 54.840 0.024 0.000 0.744 839 L CB 0.101 42.175 42.059 0.025 0.000 0.895 839 L HN -0.597 7.504 8.230 0.029 0.147 0.433 840 L N -5.338 115.899 121.223 0.024 0.000 2.217 840 L HA 0.055 4.623 4.340 0.021 -0.215 0.211 840 L C 2.316 179.202 176.870 0.026 0.000 1.107 840 L CA 2.384 57.238 54.840 0.023 0.000 0.783 840 L CB -1.060 41.013 42.059 0.022 0.000 0.919 840 L HN -0.060 8.187 8.230 0.027 0.000 0.442 841 A N -0.241 122.595 122.820 0.026 0.000 1.933 841 A HA -0.392 3.947 4.320 0.032 0.000 0.218 841 A C 1.706 179.310 177.584 0.032 0.000 1.175 841 A CA 3.200 55.255 52.037 0.030 0.000 0.628 841 A CB -1.149 17.867 19.000 0.027 0.000 0.814 841 A HN -0.210 7.939 8.150 0.025 0.016 0.444 842 D N -1.319 119.097 120.400 0.027 0.000 2.117 842 D HA -0.322 4.332 4.640 0.024 0.000 0.197 842 D C 2.131 178.444 176.300 0.022 0.000 0.987 842 D CA 3.186 57.200 54.000 0.023 0.000 0.829 842 D CB -0.155 40.656 40.800 0.017 0.000 0.961 842 D HN -0.220 8.058 8.370 0.026 0.107 0.460 843 Q N 0.158 119.971 119.800 0.022 0.000 2.061 843 Q HA -0.325 4.025 4.340 0.017 0.000 0.204 843 Q C 2.705 178.723 176.000 0.032 0.000 0.984 843 Q CA 3.626 59.442 55.803 0.022 0.000 0.846 843 Q CB -0.009 28.741 28.738 0.020 0.000 0.902 843 Q HN -0.590 7.623 8.270 0.022 0.071 0.421 844 L N -1.016 120.231 121.223 0.040 0.000 2.046 844 L HA -0.373 4.007 4.340 0.066 0.000 0.208 844 L C 1.937 178.846 176.870 0.065 0.000 1.077 844 L CA 3.274 58.150 54.840 0.059 0.000 0.747 844 L CB -0.039 42.056 42.059 0.061 0.000 0.896 844 L HN 0.110 8.361 8.230 0.036 0.000 0.432 845 G N -3.892 104.939 108.800 0.051 0.000 2.471 845 G HA2 -0.298 3.698 3.960 0.060 0.000 0.219 845 G HA3 -0.298 3.686 3.960 0.040 0.000 0.219 845 G C 1.183 176.099 174.900 0.027 0.000 1.125 845 G CA 2.011 47.139 45.100 0.046 0.000 0.775 845 G HN 0.236 8.374 8.290 0.044 0.179 0.548 846 S N 0.576 116.288 115.700 0.021 0.000 2.414 846 S HA -0.114 4.356 4.470 0.002 0.000 0.227 846 S C 0.866 175.469 174.600 0.005 0.000 1.022 846 S CA 2.858 61.063 58.200 0.008 0.000 0.958 846 S CB -0.173 63.032 63.200 0.007 0.000 0.797 846 S HN -0.412 7.758 8.310 0.026 0.155 0.493 847 L N -0.555 120.680 121.223 0.019 0.000 2.056 847 L HA -0.072 4.270 4.340 0.003 0.000 0.207 847 L C 1.075 177.927 176.870 -0.030 0.000 1.078 847 L CA 0.821 55.670 54.840 0.015 0.000 0.749 847 L CB 0.062 42.158 42.059 0.062 0.000 0.901 847 L HN -0.611 7.544 8.230 0.033 0.094 0.433 848 G N -2.044 106.748 108.800 -0.013 0.000 2.797 848 G HA2 -0.324 3.622 3.960 -0.024 0.000 0.192 848 G HA3 -0.324 3.562 3.960 -0.124 0.000 0.192 848 G C -1.649 173.167 174.900 -0.140 0.000 1.101 848 G CA -0.284 44.773 45.100 -0.072 0.000 0.930 848 G HN -0.480 7.832 8.290 0.036 0.000 0.512 849 Y N -1.833 118.485 120.300 0.031 0.000 2.818 849 Y HA 0.168 4.740 4.550 0.036 0.000 0.322 849 Y C -1.609 174.314 175.900 0.039 0.000 1.323 849 Y CA -1.392 56.728 58.100 0.035 0.000 1.090 849 Y CB 2.672 41.153 38.460 0.034 0.000 1.328 849 Y HN -0.714 7.654 8.280 0.147 0.000 0.482 850 Q N 1.925 121.911 119.800 0.310 0.000 2.286 850 Q HA 0.199 4.629 4.340 0.150 0.000 0.267 850 Q C -1.519 174.540 176.000 0.099 0.000 1.028 850 Q CA 0.481 56.378 55.803 0.156 0.000 0.901 850 Q CB 0.403 29.208 28.738 0.112 0.000 1.183 850 Q HN 0.212 8.716 8.270 0.390 0.000 0.392 851 C N 4.771 124.122 119.300 0.085 0.000 2.340 851 C HA 0.842 5.510 4.460 0.045 -0.181 0.323 851 C C -1.101 173.910 174.990 0.035 0.000 1.260 851 C CA -3.507 55.545 59.018 0.057 0.000 1.464 851 C CB 1.114 28.891 27.740 0.062 0.000 2.156 851 C HN 0.606 8.892 8.230 0.094 0.000 0.476 852 K N 5.084 125.492 120.400 0.013 0.000 2.339 852 K HA 0.365 4.679 4.320 -0.010 0.000 0.264 852 K C -1.127 175.462 176.600 -0.019 0.000 0.986 852 K CA -1.639 54.643 56.287 -0.008 0.000 0.866 852 K CB 1.734 34.226 32.500 -0.014 0.000 1.103 852 K HN 0.674 8.930 8.250 0.010 0.000 0.441 853 T N 5.200 119.734 114.554 -0.034 0.000 2.723 853 T HA 0.307 4.761 4.350 -0.017 -0.114 0.297 853 T C -1.173 173.499 174.700 -0.046 0.000 0.925 853 T CA -0.358 61.722 62.100 -0.033 0.000 1.030 853 T CB 0.120 68.966 68.868 -0.036 0.000 0.905 853 T HN 0.458 8.670 8.240 -0.047 0.000 0.502 854 A N 5.058 127.859 122.820 -0.031 0.000 2.486 854 A HA 0.380 4.674 4.320 -0.042 0.000 0.289 854 A C -2.905 174.667 177.584 -0.018 0.000 1.176 854 A CA -1.619 50.399 52.037 -0.032 0.000 0.757 854 A CB 3.645 22.627 19.000 -0.031 0.000 1.337 854 A HN 0.834 8.972 8.150 -0.020 0.000 0.423 855 N N -0.560 118.129 118.700 -0.017 0.000 2.875 855 N HA 0.065 4.803 4.740 -0.002 0.000 0.253 855 N C -2.533 172.972 175.510 -0.008 0.000 1.296 855 N CA 0.397 53.443 53.050 -0.007 0.000 0.816 855 N CB 2.524 41.011 38.487 0.001 0.000 1.504 855 N HN 0.292 8.659 8.380 -0.023 0.000 0.582 856 D N 2.938 123.333 120.400 -0.009 0.000 2.983 856 D HA 0.105 4.740 4.640 -0.007 0.000 0.269 856 D C -0.961 175.330 176.300 -0.015 0.000 1.121 856 D CA 0.093 54.087 54.000 -0.011 0.000 0.724 856 D CB 2.607 43.398 40.800 -0.015 0.000 1.381 856 D HN -0.217 8.147 8.370 -0.009 0.000 0.442 857 G N -0.485 108.305 108.800 -0.016 0.000 2.437 857 G HA2 0.162 4.109 3.960 -0.022 0.000 0.212 857 G HA3 0.162 4.109 3.960 -0.022 0.000 0.212 857 G C 0.774 175.656 174.900 -0.030 0.000 1.174 857 G CA 1.308 46.395 45.100 -0.023 0.000 0.811 857 G HN 0.487 8.768 8.290 -0.014 0.000 0.537 858 V N -2.056 117.841 119.914 -0.028 0.000 2.548 858 V HA -0.234 3.863 4.120 -0.038 0.000 0.249 858 V C 0.948 177.025 176.094 -0.028 0.000 1.055 858 V CA 0.960 63.241 62.300 -0.031 0.000 1.065 858 V CB -0.592 31.215 31.823 -0.027 0.000 0.681 858 V HN -0.738 7.575 8.190 -0.023 -0.137 0.462 859 D N -0.118 120.267 120.400 -0.024 0.000 2.310 859 D HA -0.182 4.444 4.640 -0.023 0.000 0.212 859 D C 1.378 177.662 176.300 -0.027 0.000 0.965 859 D CA 2.862 56.848 54.000 -0.024 0.000 0.879 859 D CB -0.344 40.442 40.800 -0.022 0.000 0.921 859 D HN -0.570 7.969 8.370 -0.022 -0.183 0.510 860 A N -0.431 122.371 122.820 -0.029 0.000 1.858 860 A HA -0.185 4.115 4.320 -0.033 0.000 0.216 860 A C 1.781 179.343 177.584 -0.037 0.000 1.190 860 A CA 2.909 54.927 52.037 -0.033 0.000 0.617 860 A CB -0.670 18.311 19.000 -0.031 0.000 0.827 860 A HN -0.756 7.346 8.150 -0.028 0.032 0.443 861 L N -1.382 119.819 121.223 -0.037 0.000 2.046 861 L HA -0.348 3.967 4.340 -0.041 0.000 0.208 861 L C 1.549 178.399 176.870 -0.032 0.000 1.077 861 L CA 2.959 57.776 54.840 -0.038 0.000 0.747 861 L CB -0.269 41.765 42.059 -0.041 0.000 0.896 861 L HN -0.653 7.555 8.230 -0.037 0.000 0.432 862 N N -1.924 116.759 118.700 -0.028 0.000 2.289 862 N HA -0.294 4.434 4.740 -0.020 0.000 0.184 862 N C 2.388 177.885 175.510 -0.021 0.000 1.016 862 N CA 2.685 55.721 53.050 -0.022 0.000 0.872 862 N CB -0.324 38.151 38.487 -0.020 0.000 0.973 862 N HN 0.056 8.351 8.380 -0.029 0.067 0.433 863 V N 0.236 120.134 119.914 -0.027 0.000 2.548 863 V HA -0.392 3.716 4.120 -0.021 0.000 0.249 863 V C 0.981 177.056 176.094 -0.032 0.000 1.055 863 V CA 3.879 66.162 62.300 -0.028 0.000 1.065 863 V CB 0.202 32.004 31.823 -0.034 0.000 0.681 863 V HN -0.327 7.609 8.190 -0.030 0.236 0.462 864 L N -3.163 118.036 121.223 -0.039 0.000 2.131 864 L HA -0.087 4.330 4.340 -0.061 -0.113 0.210 864 L C 1.663 178.525 176.870 -0.014 0.000 1.092 864 L CA 2.573 57.388 54.840 -0.042 0.000 0.759 864 L CB -0.568 41.462 42.059 -0.048 0.000 0.903 864 L HN -0.865 7.249 8.230 -0.040 0.092 0.435 865 S N -2.809 112.883 115.700 -0.012 0.000 2.461 865 S HA -0.090 4.382 4.470 0.003 0.000 0.228 865 S C 1.130 175.732 174.600 0.003 0.000 1.005 865 S CA 2.040 60.238 58.200 -0.003 0.000 0.942 865 S CB -0.126 63.070 63.200 -0.007 0.000 0.776 865 S HN -0.433 7.759 8.310 -0.019 0.107 0.514 866 K N 0.520 120.920 120.400 -0.000 0.000 2.044 866 K HA -0.167 4.157 4.320 0.006 0.000 0.204 866 K C 0.178 176.787 176.600 0.015 0.000 1.049 866 K CA 2.046 58.336 56.287 0.005 0.000 0.945 866 K CB 0.951 33.450 32.500 -0.001 0.000 0.724 866 K HN -0.388 7.700 8.250 -0.007 0.158 0.440 867 N N -3.534 115.177 118.700 0.017 0.000 3.106 867 N HA 0.086 4.857 4.740 0.053 0.000 0.253 867 N C -1.969 173.572 175.510 0.052 0.000 1.506 867 N CA -1.057 52.018 53.050 0.041 0.000 0.876 867 N CB 1.176 39.684 38.487 0.035 0.000 1.452 867 N HN -0.311 8.071 8.380 0.004 0.000 0.542 868 H N 0.829 119.891 119.070 -0.013 0.000 2.872 868 H HA 0.139 4.680 4.556 -0.025 0.000 0.273 868 H C -1.081 174.230 175.328 -0.028 0.000 1.205 868 H CA 0.232 56.267 56.048 -0.022 0.000 1.342 868 H CB -0.478 29.270 29.762 -0.022 0.000 1.469 868 H HN 0.209 8.582 8.280 0.155 0.000 0.487 869 I N 7.048 127.411 120.570 -0.346 0.000 2.365 869 I HA -0.187 3.950 4.170 -0.218 -0.097 0.291 869 I C -0.949 174.866 176.117 -0.504 0.000 1.004 869 I CA -0.057 61.056 61.300 -0.312 0.000 1.311 869 I CB 1.002 38.901 38.000 -0.169 0.000 1.401 869 I HN -0.338 7.710 8.210 -0.269 0.000 0.491 870 D N 5.752 125.935 120.400 -0.363 0.000 2.201 870 D HA 0.091 4.479 4.640 -0.420 0.000 0.209 870 D C -0.285 175.890 176.300 -0.208 0.000 0.961 870 D CA 2.357 56.179 54.000 -0.296 0.000 0.861 870 D CB 1.507 42.221 40.800 -0.143 0.000 0.997 870 D HN 0.315 8.540 8.370 -0.242 0.000 0.486 871 I N -1.052 119.430 120.570 -0.147 0.000 2.436 871 I HA 0.211 4.444 4.170 -0.128 -0.140 0.289 871 I C -1.852 174.230 176.117 -0.058 0.000 1.010 871 I CA -2.979 58.269 61.300 -0.087 0.000 1.098 871 I CB 1.656 39.663 38.000 0.012 0.000 1.266 871 I HN -0.856 7.270 8.210 -0.139 0.000 0.434 872 V N 7.192 127.077 119.914 -0.048 0.000 2.370 872 V HA 0.295 4.526 4.120 -0.036 -0.133 0.283 872 V C -1.416 174.680 176.094 0.004 0.000 1.023 872 V CA -0.970 61.311 62.300 -0.032 0.000 0.857 872 V CB 1.217 33.011 31.823 -0.048 0.000 0.985 872 V HN -0.055 8.099 8.190 -0.059 0.000 0.443 873 L N 8.126 129.353 121.223 0.007 0.000 2.272 873 L HA 0.553 5.088 4.340 0.030 -0.177 0.289 873 L C -0.738 176.136 176.870 0.007 0.000 1.032 873 L CA -1.241 53.610 54.840 0.018 0.000 0.810 873 L CB 0.791 42.863 42.059 0.022 0.000 1.205 873 L HN 1.111 9.340 8.230 -0.002 0.000 0.422 874 S N 3.876 119.580 115.700 0.007 0.000 2.461 874 S HA 0.486 5.087 4.470 -0.003 -0.133 0.322 874 S C -1.346 173.254 174.600 0.000 0.000 1.063 874 S CA -1.570 56.631 58.200 0.000 0.000 1.120 874 S CB 0.384 63.583 63.200 -0.003 0.000 0.968 874 S HN 0.853 9.171 8.310 0.014 0.000 0.467 875 D N 6.966 127.366 120.400 -0.001 0.000 2.349 875 D HA 0.806 5.712 4.640 -0.005 -0.269 0.232 875 D C -1.661 174.629 176.300 -0.017 0.000 1.071 875 D CA -1.291 52.707 54.000 -0.004 0.000 0.832 875 D CB 2.575 43.378 40.800 0.004 0.000 1.086 875 D HN 0.670 9.040 8.370 0.000 0.000 0.504 876 V N 4.622 124.519 119.914 -0.030 0.000 2.443 876 V HA 0.210 4.293 4.120 -0.060 0.000 0.293 876 V C -2.006 174.038 176.094 -0.084 0.000 1.021 876 V CA -1.912 60.357 62.300 -0.053 0.000 0.848 876 V CB 1.151 32.952 31.823 -0.037 0.000 0.998 876 V HN 0.454 8.630 8.190 -0.024 0.000 0.424 877 N N 6.625 125.229 118.700 -0.161 0.000 2.510 877 N HA 0.115 4.778 4.740 -0.128 0.000 0.186 877 N C -0.630 174.745 175.510 -0.226 0.000 1.051 877 N CA 0.679 53.602 53.050 -0.212 0.000 0.877 877 N CB 2.771 41.055 38.487 -0.339 0.000 1.183 877 N HN 0.978 9.680 8.380 -0.192 -0.437 0.443 878 M N -0.006 119.438 119.600 -0.261 0.000 2.321 878 M HA 0.461 4.868 4.480 -0.121 0.000 0.315 878 M C -2.469 173.782 176.300 -0.080 0.000 1.052 878 M CA -2.796 52.407 55.300 -0.162 0.000 0.936 878 M CB 2.409 34.907 32.600 -0.169 0.000 1.639 878 M HN -0.394 8.153 8.290 -0.291 -0.432 0.433 879 P HA 0.196 4.603 4.420 -0.021 0.000 0.220 879 P C -1.480 175.816 177.300 -0.008 0.000 1.806 879 P CA -0.459 62.628 63.100 -0.021 0.000 0.976 879 P CB -1.977 29.714 31.700 -0.014 0.000 1.952 880 N N -1.290 117.406 118.700 -0.006 0.000 2.463 880 N HA -0.128 4.793 4.740 0.010 -0.175 0.181 880 N C -0.290 175.225 175.510 0.009 0.000 1.078 880 N CA 0.821 53.875 53.050 0.007 0.000 0.902 880 N CB 1.091 39.588 38.487 0.017 0.000 0.970 880 N HN -0.020 8.286 8.380 -0.015 0.064 0.451 881 M N -1.096 118.508 119.600 0.007 0.000 2.413 881 M HA 0.125 4.614 4.480 0.014 0.000 0.287 881 M C -2.287 174.023 176.300 0.018 0.000 1.186 881 M CA -0.322 54.986 55.300 0.012 0.000 0.927 881 M CB 3.152 35.757 32.600 0.009 0.000 1.715 881 M HN -0.922 7.302 8.290 0.003 0.067 0.478 882 D N 3.391 123.809 120.400 0.029 0.000 2.425 882 D HA -0.026 4.642 4.640 0.046 0.000 0.247 882 D C 0.378 176.709 176.300 0.052 0.000 1.147 882 D CA 0.771 54.801 54.000 0.050 0.000 0.879 882 D CB 1.584 42.429 40.800 0.075 0.000 1.179 882 D HN 0.135 8.522 8.370 0.028 0.000 0.456 883 G N 1.923 110.760 108.800 0.062 0.000 3.126 883 G HA2 -0.008 3.961 3.960 0.015 0.000 0.224 883 G HA3 -0.008 3.972 3.960 0.033 0.000 0.224 883 G C 0.027 174.962 174.900 0.059 0.000 1.142 883 G CA -0.088 45.037 45.100 0.041 0.000 0.759 883 G HN 0.321 8.654 8.290 0.072 0.000 0.550 884 Y N 3.128 123.424 120.300 -0.006 0.000 2.220 884 Y HA -0.226 4.321 4.550 -0.005 0.000 0.291 884 Y C 0.831 176.728 175.900 -0.005 0.000 1.129 884 Y CA 1.884 59.981 58.100 -0.005 0.000 1.161 884 Y CB 0.366 38.823 38.460 -0.005 0.000 0.997 884 Y HN -0.872 7.680 8.280 0.217 -0.142 0.522 885 R N -1.271 119.014 120.500 -0.357 0.000 2.127 885 R HA -0.354 3.556 4.340 -0.718 0.000 0.238 885 R C 1.889 178.029 176.300 -0.268 0.000 1.134 885 R CA 2.780 58.634 56.100 -0.411 0.000 0.975 885 R CB -1.239 28.974 30.300 -0.146 0.000 0.865 885 R HN 0.177 8.434 8.270 -0.022 0.000 0.447 886 L N -2.562 118.568 121.223 -0.155 0.000 1.976 886 L HA -0.197 4.088 4.340 -0.090 0.000 0.209 886 L C 1.225 178.029 176.870 -0.110 0.000 1.071 886 L CA 3.936 58.716 54.840 -0.100 0.000 0.746 886 L CB -0.253 41.774 42.059 -0.053 0.000 0.890 886 L HN -0.104 7.916 8.230 -0.115 0.141 0.432 887 T N -0.779 113.710 114.554 -0.108 0.000 2.777 887 T HA -0.376 3.939 4.350 -0.058 0.000 0.266 887 T C 2.248 176.880 174.700 -0.114 0.000 1.040 887 T CA 3.680 65.731 62.100 -0.081 0.000 1.141 887 T CB -1.162 67.684 68.868 -0.036 0.000 0.868 887 T HN -0.615 7.565 8.240 -0.101 0.000 0.444 888 Q N 2.401 122.073 119.800 -0.213 0.000 2.020 888 Q HA -0.363 3.901 4.340 -0.125 0.000 0.202 888 Q C 2.267 178.173 176.000 -0.156 0.000 0.982 888 Q CA 3.233 58.906 55.803 -0.217 0.000 0.838 888 Q CB -0.309 28.165 28.738 -0.441 0.000 0.899 888 Q HN -0.275 7.811 8.270 -0.307 0.000 0.423 889 R N -1.184 119.213 120.500 -0.171 0.000 2.075 889 R HA -0.276 4.004 4.340 -0.100 0.000 0.232 889 R C 2.546 178.800 176.300 -0.078 0.000 1.126 889 R CA 3.297 59.329 56.100 -0.112 0.000 0.963 889 R CB -0.165 30.070 30.300 -0.108 0.000 0.858 889 R HN -0.126 7.904 8.270 -0.224 0.106 0.435 890 I N -0.319 120.205 120.570 -0.076 0.000 2.226 890 I HA -0.383 3.756 4.170 -0.051 0.000 0.245 890 I C 1.036 177.125 176.117 -0.048 0.000 1.100 890 I CA 3.594 64.860 61.300 -0.057 0.000 1.374 890 I CB 0.090 38.058 38.000 -0.054 0.000 1.057 890 I HN 0.021 8.176 8.210 -0.092 0.000 0.413 891 R N -2.397 118.073 120.500 -0.049 0.000 2.119 891 R HA -0.241 4.079 4.340 -0.033 0.000 0.222 891 R C 2.455 178.736 176.300 -0.033 0.000 1.088 891 R CA 2.656 58.734 56.100 -0.037 0.000 0.984 891 R CB -0.820 29.461 30.300 -0.031 0.000 0.884 891 R HN -0.448 7.787 8.270 -0.059 0.000 0.447 892 Q N 1.269 121.045 119.800 -0.040 0.000 2.049 892 Q HA -0.184 4.141 4.340 -0.024 0.000 0.198 892 Q C 1.954 177.938 176.000 -0.027 0.000 0.971 892 Q CA 2.640 58.423 55.803 -0.032 0.000 0.833 892 Q CB 0.037 28.750 28.738 -0.041 0.000 0.896 892 Q HN -0.257 7.896 8.270 -0.053 0.085 0.434 893 L N -2.908 118.296 121.223 -0.031 0.000 2.240 893 L HA -0.106 4.221 4.340 -0.021 0.000 0.211 893 L C 0.307 177.165 176.870 -0.020 0.000 1.106 893 L CA 1.068 55.893 54.840 -0.025 0.000 0.793 893 L CB 1.131 43.173 42.059 -0.028 0.000 0.927 893 L HN -0.153 8.053 8.230 -0.039 0.000 0.446 894 G N -2.277 106.509 108.800 -0.022 0.000 2.823 894 G HA2 -0.144 3.807 3.960 -0.016 0.000 0.235 894 G HA3 -0.144 3.808 3.960 -0.013 0.000 0.235 894 G C -1.791 173.097 174.900 -0.022 0.000 3.696 894 G CA -0.597 44.492 45.100 -0.018 0.000 0.652 894 G HN -0.753 7.502 8.290 -0.027 0.018 0.431 895 L N 0.405 121.612 121.223 -0.026 0.000 2.290 895 L HA 0.175 4.492 4.340 -0.037 0.000 0.284 895 L C -0.111 176.741 176.870 -0.029 0.000 1.078 895 L CA 0.545 55.365 54.840 -0.033 0.000 0.815 895 L CB 0.554 42.591 42.059 -0.036 0.000 1.162 895 L HN -0.375 7.840 8.230 -0.025 0.000 0.435 896 T N 5.978 120.512 114.554 -0.033 0.000 3.016 896 T HA 0.103 4.440 4.350 -0.022 0.000 0.271 896 T C -0.924 173.750 174.700 -0.044 0.000 0.968 896 T CA 0.026 62.112 62.100 -0.024 0.000 0.891 896 T CB 0.713 69.584 68.868 0.005 0.000 1.149 896 T HN 0.039 8.254 8.240 -0.042 0.000 0.524 897 L N -1.402 119.776 121.223 -0.075 0.000 2.323 897 L HA 0.591 4.861 4.340 -0.118 0.000 0.265 897 L C -2.788 173.996 176.870 -0.143 0.000 1.012 897 L CA -3.547 51.221 54.840 -0.121 0.000 0.820 897 L CB 0.362 42.328 42.059 -0.157 0.000 1.334 897 L HN -0.869 7.318 8.230 -0.071 0.000 0.427 898 P HA 0.014 4.336 4.420 -0.163 0.000 0.275 898 P C -1.585 175.631 177.300 -0.141 0.000 1.227 898 P CA -0.564 62.383 63.100 -0.255 0.000 0.781 898 P CB 0.588 31.894 31.700 -0.656 0.000 0.906 899 V N 2.834 122.726 119.914 -0.036 0.000 2.459 899 V HA 0.420 4.706 4.120 0.004 -0.163 0.295 899 V C -0.563 175.586 176.094 0.091 0.000 1.029 899 V CA -1.017 61.292 62.300 0.016 0.000 0.874 899 V CB 2.613 34.434 31.823 -0.003 0.000 0.985 899 V HN -0.379 7.709 8.190 -0.026 0.087 0.438 900 I N 6.367 126.999 120.570 0.104 0.000 2.307 900 I HA 0.256 4.653 4.170 0.114 -0.158 0.289 900 I C -0.925 175.220 176.117 0.046 0.000 1.021 900 I CA -1.077 60.283 61.300 0.100 0.000 1.224 900 I CB 1.251 39.315 38.000 0.106 0.000 1.376 900 I HN 0.996 9.254 8.210 0.081 0.000 0.470 901 G N 8.032 116.852 108.800 0.035 0.000 2.393 901 G HA2 0.358 4.469 3.960 0.014 0.000 0.311 901 G HA3 0.358 4.327 3.960 0.016 0.000 0.311 901 G C -2.256 172.650 174.900 0.010 0.000 1.067 901 G CA -1.038 44.073 45.100 0.018 0.000 1.000 901 G HN 0.906 9.123 8.290 0.042 0.097 0.422 902 V N 7.333 127.251 119.914 0.005 0.000 2.347 902 V HA 0.988 5.342 4.120 -0.002 -0.236 0.280 902 V C -2.027 174.064 176.094 -0.007 0.000 1.021 902 V CA -2.818 59.482 62.300 -0.001 0.000 0.847 902 V CB 1.827 33.651 31.823 0.001 0.000 0.990 902 V HN 0.499 8.692 8.190 0.006 0.000 0.444 903 T N 9.113 123.661 114.554 -0.009 0.000 2.906 903 T HA 0.704 5.225 4.350 -0.022 -0.184 0.295 903 T C -1.038 173.651 174.700 -0.018 0.000 1.061 903 T CA -2.094 59.997 62.100 -0.016 0.000 1.000 903 T CB 3.228 72.089 68.868 -0.012 0.000 1.103 903 T HN 0.651 8.887 8.240 -0.007 0.000 0.486 904 A N 2.659 125.463 122.820 -0.027 0.000 2.376 904 A HA -0.019 4.290 4.320 -0.018 0.000 0.298 904 A C -0.787 176.786 177.584 -0.018 0.000 1.271 904 A CA 0.108 52.130 52.037 -0.024 0.000 0.926 904 A CB -0.600 18.377 19.000 -0.038 0.000 1.141 904 A HN -0.017 8.111 8.150 -0.036 0.000 0.539 905 N N 1.954 120.647 118.700 -0.012 0.000 2.407 905 N HA -0.314 4.422 4.740 -0.007 0.000 0.284 905 N C -0.393 175.112 175.510 -0.008 0.000 1.508 905 N CA 0.581 53.625 53.050 -0.009 0.000 0.779 905 N CB -0.366 38.116 38.487 -0.008 0.000 0.916 905 N HN 0.105 8.479 8.380 -0.010 0.000 0.474 906 A N 3.063 125.880 122.820 -0.006 0.000 3.033 906 A HA 0.036 4.353 4.320 -0.004 0.000 0.250 906 A C -0.146 177.436 177.584 -0.003 0.000 1.633 906 A CA 0.034 52.069 52.037 -0.004 0.000 1.290 906 A CB -1.449 17.549 19.000 -0.003 0.000 1.048 906 A HN 0.455 8.602 8.150 -0.005 0.000 0.648 907 L N -0.305 120.916 121.223 -0.003 0.000 2.071 907 L HA -0.099 4.240 4.340 -0.002 0.000 0.201 907 L C 1.353 178.222 176.870 -0.002 0.000 1.076 907 L CA 2.529 57.368 54.840 -0.003 0.000 0.755 907 L CB 0.005 42.061 42.059 -0.004 0.000 0.915 907 L HN -0.233 7.901 8.230 -0.005 0.093 0.445 908 A N -3.470 119.349 122.820 -0.002 0.000 2.147 908 A HA 0.035 4.355 4.320 -0.000 0.000 0.211 908 A C 1.193 178.779 177.584 0.003 0.000 1.160 908 A CA 0.945 52.982 52.037 -0.000 0.000 0.781 908 A CB -0.226 18.773 19.000 -0.001 0.000 0.842 908 A HN 0.122 8.270 8.150 -0.003 0.000 0.475 909 E N -0.799 119.403 120.200 0.002 0.000 2.038 909 E HA -0.410 3.944 4.350 0.008 0.000 0.195 909 E C 1.174 177.779 176.600 0.008 0.000 1.000 909 E CA 3.593 59.996 56.400 0.005 0.000 0.803 909 E CB -0.190 29.511 29.700 0.002 0.000 0.750 909 E HN 0.213 8.535 8.360 -0.000 0.038 0.448 910 E N -0.859 119.345 120.200 0.006 0.000 2.070 910 E HA -0.395 3.960 4.350 0.008 0.000 0.197 910 E C 2.104 178.709 176.600 0.009 0.000 1.004 910 E CA 3.256 59.660 56.400 0.007 0.000 0.805 910 E CB -0.598 29.104 29.700 0.004 0.000 0.744 910 E HN -0.083 8.279 8.360 0.003 0.000 0.451 911 K N -1.544 118.860 120.400 0.007 0.000 2.002 911 K HA -0.345 3.980 4.320 0.007 0.000 0.209 911 K C 2.340 178.948 176.600 0.013 0.000 1.048 911 K CA 2.960 59.252 56.287 0.007 0.000 0.930 911 K CB -0.362 32.139 32.500 0.003 0.000 0.714 911 K HN -0.259 7.985 8.250 0.005 0.009 0.438 912 Q N -1.534 118.276 119.800 0.017 0.000 2.079 912 Q HA -0.205 4.152 4.340 0.028 0.000 0.200 912 Q C 2.376 178.397 176.000 0.036 0.000 0.974 912 Q CA 2.470 58.290 55.803 0.029 0.000 0.840 912 Q CB -0.301 28.457 28.738 0.035 0.000 0.898 912 Q HN -0.450 7.828 8.270 0.013 0.000 0.430 913 R N -0.611 119.906 120.500 0.028 0.000 2.148 913 R HA -0.168 4.190 4.340 0.031 0.000 0.227 913 R C 2.636 178.951 176.300 0.025 0.000 1.103 913 R CA 3.017 59.133 56.100 0.026 0.000 0.983 913 R CB -0.959 29.353 30.300 0.020 0.000 0.874 913 R HN 0.319 8.603 8.270 0.022 0.000 0.451 914 C N -0.316 118.997 119.300 0.022 0.000 2.457 914 C HA -0.217 4.255 4.460 0.019 0.000 0.278 914 C C 1.876 176.880 174.990 0.023 0.000 1.309 914 C CA 5.341 64.371 59.018 0.020 0.000 1.735 914 C CB -0.281 27.468 27.740 0.015 0.000 1.992 914 C HN -0.423 7.800 8.230 0.020 0.019 0.493 915 L N -0.052 121.187 121.223 0.027 0.000 2.046 915 L HA -0.299 4.056 4.340 0.025 0.000 0.208 915 L C 2.182 179.079 176.870 0.046 0.000 1.077 915 L CA 3.224 58.083 54.840 0.032 0.000 0.747 915 L CB -0.940 41.138 42.059 0.031 0.000 0.896 915 L HN -0.271 7.892 8.230 0.026 0.083 0.432 916 E N -3.381 116.852 120.200 0.055 0.000 2.072 916 E HA -0.131 4.264 4.350 0.076 0.000 0.190 916 E C 0.080 176.699 176.600 0.032 0.000 0.982 916 E CA 0.700 57.134 56.400 0.057 0.000 0.803 916 E CB 0.514 30.248 29.700 0.057 0.000 0.755 916 E HN -0.001 8.390 8.360 0.052 0.000 0.453 917 S N -2.973 112.743 115.700 0.026 0.000 3.628 917 S HA -0.339 4.209 4.470 0.019 -0.067 0.373 917 S C -0.155 174.451 174.600 0.011 0.000 0.968 917 S CA 1.152 59.363 58.200 0.018 0.000 1.215 917 S CB -2.467 60.744 63.200 0.017 0.000 0.912 917 S HN -0.021 8.199 8.310 0.029 0.108 0.495 918 G N -3.385 105.419 108.800 0.008 0.000 3.735 918 G HA2 0.207 4.163 3.960 -0.007 0.000 0.283 918 G HA3 0.207 4.161 3.960 -0.010 0.000 0.283 918 G C -1.482 173.416 174.900 -0.004 0.000 1.007 918 G CA -0.283 44.815 45.100 -0.004 0.000 0.821 918 G HN 0.012 8.310 8.290 0.013 0.000 0.505 919 M N -0.673 118.932 119.600 0.008 0.000 2.314 919 M HA 0.208 4.693 4.480 0.008 0.000 0.206 919 M C -1.097 175.222 176.300 0.031 0.000 1.539 919 M CA 1.088 56.398 55.300 0.018 0.000 1.845 919 M CB 1.731 34.346 32.600 0.027 0.000 1.080 919 M HN -0.570 7.669 8.290 0.013 0.059 0.885 920 D N -4.728 115.708 120.400 0.060 0.000 1.441 920 D HA -0.030 4.651 4.640 0.068 0.000 0.840 920 D C -0.568 175.803 176.300 0.118 0.000 0.439 920 D CA 1.209 55.266 54.000 0.096 0.000 1.025 920 D CB 0.512 41.390 40.800 0.129 0.000 2.466 920 D HN 0.161 8.565 8.370 0.056 0.000 0.299 921 S N -0.897 114.887 115.700 0.140 0.000 2.664 921 S HA 0.500 4.998 4.470 0.046 0.000 0.304 921 S C -2.096 172.527 174.600 0.038 0.000 1.099 921 S CA -0.676 57.566 58.200 0.070 0.000 1.003 921 S CB 2.703 65.912 63.200 0.014 0.000 1.092 921 S HN -0.213 8.201 8.310 0.173 0.000 0.525 922 C N -1.033 118.272 119.300 0.008 0.000 2.880 922 C HA 0.994 5.620 4.460 0.010 -0.159 0.320 922 C C -1.450 173.535 174.990 -0.009 0.000 1.176 922 C CA -1.771 57.250 59.018 0.004 0.000 1.390 922 C CB 3.600 31.344 27.740 0.007 0.000 1.846 922 C HN 0.289 8.515 8.230 -0.007 0.000 0.478 923 L N 0.469 121.687 121.223 -0.008 0.000 2.510 923 L HA 0.550 4.882 4.340 -0.014 0.000 0.252 923 L C -1.380 175.485 176.870 -0.008 0.000 1.091 923 L CA -1.196 53.637 54.840 -0.013 0.000 0.888 923 L CB 3.113 45.161 42.059 -0.019 0.000 1.507 923 L HN 0.662 8.890 8.230 -0.003 0.000 0.407 924 S N -0.940 114.755 115.700 -0.008 0.000 2.586 924 S HA 0.280 4.953 4.470 -0.007 -0.207 0.274 924 S C 0.184 174.781 174.600 -0.005 0.000 1.281 924 S CA -1.205 56.991 58.200 -0.007 0.000 1.035 924 S CB 0.958 64.155 63.200 -0.006 0.000 0.962 924 S HN -0.246 8.058 8.310 -0.010 0.000 0.512 925 K N 2.478 122.874 120.400 -0.006 0.000 2.034 925 K HA -0.198 4.120 4.320 -0.003 0.000 0.214 925 K C -0.684 175.919 176.600 0.004 0.000 1.051 925 K CA 3.161 59.446 56.287 -0.003 0.000 0.931 925 K CB -1.915 30.579 32.500 -0.010 0.000 0.715 925 K HN 0.260 8.410 8.250 -0.009 0.095 0.446 926 P HA 0.032 4.459 4.420 0.012 0.000 0.231 926 P C -0.778 176.524 177.300 0.004 0.000 1.756 926 P CA -0.758 62.346 63.100 0.008 0.000 0.990 926 P CB -1.501 30.203 31.700 0.007 0.000 1.973 927 V N 1.972 121.889 119.914 0.004 0.000 2.811 927 V HA -0.076 4.042 4.120 -0.003 0.000 0.302 927 V C 0.050 176.146 176.094 0.002 0.000 1.063 927 V CA -0.011 62.289 62.300 0.001 0.000 1.088 927 V CB 1.327 33.150 31.823 0.000 0.000 0.982 927 V HN -0.099 8.027 8.190 0.006 0.068 0.485 928 T N 4.197 118.750 114.554 -0.001 0.000 2.944 928 T HA 0.276 4.627 4.350 0.002 0.000 0.284 928 T C 0.476 175.176 174.700 0.000 0.000 1.010 928 T CA -2.672 59.428 62.100 -0.000 0.000 1.025 928 T CB 1.627 70.494 68.868 -0.002 0.000 1.079 928 T HN -0.397 7.841 8.240 -0.004 0.000 0.516 929 L N 1.736 122.960 121.223 0.002 0.000 2.012 929 L HA -0.397 3.947 4.340 0.007 0.000 0.210 929 L C 1.677 178.548 176.870 0.002 0.000 1.073 929 L CA 3.257 58.099 54.840 0.004 0.000 0.748 929 L CB -0.181 41.880 42.059 0.004 0.000 0.891 929 L HN 0.467 8.699 8.230 0.002 0.000 0.431 930 D N -1.377 119.022 120.400 -0.002 0.000 2.117 930 D HA -0.197 4.442 4.640 -0.002 0.000 0.198 930 D C 2.054 178.348 176.300 -0.009 0.000 0.982 930 D CA 3.588 57.586 54.000 -0.004 0.000 0.828 930 D CB -0.187 40.610 40.800 -0.005 0.000 0.967 930 D HN 0.038 8.407 8.370 -0.002 0.000 0.464 931 V N -0.007 119.900 119.914 -0.012 0.000 2.343 931 V HA -0.404 3.700 4.120 -0.026 0.000 0.247 931 V C 1.656 177.734 176.094 -0.026 0.000 1.051 931 V CA 4.023 66.310 62.300 -0.021 0.000 1.036 931 V CB -0.413 31.398 31.823 -0.020 0.000 0.654 931 V HN -0.279 7.906 8.190 -0.009 0.000 0.451 932 I N 0.196 120.758 120.570 -0.014 0.000 2.394 932 I HA -0.393 3.766 4.170 -0.019 0.000 0.251 932 I C 1.789 177.904 176.117 -0.003 0.000 1.136 932 I CA 2.830 64.125 61.300 -0.009 0.000 1.425 932 I CB -1.036 36.967 38.000 0.005 0.000 1.079 932 I HN 0.301 8.506 8.210 -0.008 0.000 0.425 933 K N 0.715 121.116 120.400 0.001 0.000 2.025 933 K HA -0.361 3.975 4.320 0.027 0.000 0.207 933 K C 2.318 178.919 176.600 0.002 0.000 1.049 933 K CA 3.887 60.181 56.287 0.012 0.000 0.933 933 K CB 0.037 32.544 32.500 0.011 0.000 0.714 933 K HN -0.043 8.095 8.250 -0.001 0.112 0.438 934 Q N -2.054 117.737 119.800 -0.015 0.000 2.079 934 Q HA -0.232 4.100 4.340 -0.013 0.000 0.200 934 Q C 2.461 178.425 176.000 -0.061 0.000 0.974 934 Q CA 3.157 58.944 55.803 -0.028 0.000 0.840 934 Q CB -0.645 28.074 28.738 -0.032 0.000 0.898 934 Q HN 0.282 8.542 8.270 -0.016 0.000 0.430 935 T N 3.154 117.653 114.554 -0.092 0.000 2.746 935 T HA -0.272 3.925 4.350 -0.255 0.000 0.267 935 T C 1.940 176.535 174.700 -0.174 0.000 1.039 935 T CA 4.884 66.868 62.100 -0.192 0.000 1.142 935 T CB -0.364 68.389 68.868 -0.192 0.000 0.866 935 T HN -0.397 7.801 8.240 -0.070 0.000 0.444 936 L N 0.466 121.661 121.223 -0.047 0.000 2.056 936 L HA -0.263 4.122 4.340 0.075 0.000 0.207 936 L C 1.793 178.706 176.870 0.071 0.000 1.078 936 L CA 3.572 58.436 54.840 0.040 0.000 0.749 936 L CB -0.480 41.617 42.059 0.064 0.000 0.901 936 L HN -0.290 7.920 8.230 -0.034 0.000 0.433 937 T N 1.593 116.176 114.554 0.049 0.000 2.777 937 T HA -0.403 4.005 4.350 0.097 0.000 0.266 937 T C 1.865 176.603 174.700 0.062 0.000 1.040 937 T CA 4.777 66.917 62.100 0.065 0.000 1.141 937 T CB -0.193 68.702 68.868 0.045 0.000 0.868 937 T HN 0.114 8.369 8.240 0.024 0.000 0.444 938 L N 1.347 122.583 121.223 0.021 0.000 2.046 938 L HA -0.373 3.991 4.340 0.041 0.000 0.208 938 L C 1.989 178.945 176.870 0.144 0.000 1.077 938 L CA 3.728 58.586 54.840 0.029 0.000 0.747 938 L CB -0.483 41.541 42.059 -0.059 0.000 0.896 938 L HN 0.191 8.410 8.230 -0.018 0.000 0.432 939 Y N -2.194 118.110 120.300 0.007 0.000 2.263 939 Y HA -0.343 4.206 4.550 -0.002 0.000 0.292 939 Y C 2.219 178.116 175.900 -0.005 0.000 1.130 939 Y CA 0.861 58.959 58.100 -0.002 0.000 1.179 939 Y CB -1.148 37.305 38.460 -0.011 0.000 0.998 939 Y HN -0.254 8.075 8.280 0.097 0.009 0.532 940 A N -0.608 122.311 122.820 0.166 0.000 1.933 940 A HA -0.245 4.101 4.320 0.042 0.000 0.218 940 A C 2.037 179.667 177.584 0.076 0.000 1.175 940 A CA 2.878 54.966 52.037 0.084 0.000 0.628 940 A CB -0.420 18.634 19.000 0.091 0.000 0.814 940 A HN 0.169 8.343 8.150 0.171 0.078 0.444 941 E N -2.110 118.143 120.200 0.088 0.000 2.285 941 E HA -0.251 4.135 4.350 0.060 0.000 0.194 941 E C 2.001 178.640 176.600 0.065 0.000 0.997 941 E CA 2.258 58.699 56.400 0.069 0.000 0.845 941 E CB -0.293 29.444 29.700 0.062 0.000 0.782 941 E HN -0.093 8.327 8.360 0.101 0.000 0.491 942 R N 0.193 120.747 120.500 0.090 0.000 2.066 942 R HA -0.240 4.140 4.340 0.068 0.000 0.232 942 R C 2.533 178.851 176.300 0.029 0.000 1.131 942 R CA 3.217 59.364 56.100 0.077 0.000 0.955 942 R CB -0.061 30.324 30.300 0.143 0.000 0.851 942 R HN -0.347 7.860 8.270 0.126 0.139 0.432 943 V N -4.977 114.944 119.914 0.012 0.000 2.626 943 V HA -0.180 3.928 4.120 -0.019 0.000 0.252 943 V C 1.267 177.367 176.094 0.009 0.000 1.067 943 V CA 2.541 64.837 62.300 -0.007 0.000 1.081 943 V CB -0.447 31.365 31.823 -0.018 0.000 0.686 943 V HN 0.162 8.368 8.190 0.027 0.000 0.468 944 R N -0.093 120.420 120.500 0.022 0.000 2.127 944 R HA -0.348 4.004 4.340 0.021 0.000 0.238 944 R C 1.511 177.822 176.300 0.019 0.000 1.134 944 R CA 3.310 59.424 56.100 0.024 0.000 0.975 944 R CB -0.571 29.751 30.300 0.035 0.000 0.865 944 R HN -0.468 7.726 8.270 0.031 0.094 0.447 945 K N -2.029 118.383 120.400 0.020 0.000 2.025 945 K HA -0.163 4.167 4.320 0.016 0.000 0.207 945 K C 2.251 178.856 176.600 0.008 0.000 1.049 945 K CA 2.377 58.673 56.287 0.016 0.000 0.933 945 K CB -0.324 32.188 32.500 0.019 0.000 0.714 945 K HN -0.543 7.592 8.250 0.025 0.130 0.438 946 S N -0.785 114.918 115.700 0.004 0.000 2.371 946 S HA -0.168 4.301 4.470 -0.001 0.000 0.224 946 S C 1.854 176.452 174.600 -0.004 0.000 1.029 946 S CA 2.691 60.890 58.200 -0.002 0.000 0.978 946 S CB 0.315 63.510 63.200 -0.009 0.000 0.833 946 S HN -0.552 7.690 8.310 0.005 0.071 0.466 947 R N -1.914 118.584 120.500 -0.004 0.000 2.140 947 R HA 0.119 4.451 4.340 -0.013 0.000 0.213 947 R C -0.111 176.186 176.300 -0.005 0.000 1.059 947 R CA 0.221 56.316 56.100 -0.009 0.000 1.000 947 R CB 0.832 31.125 30.300 -0.011 0.000 0.910 947 R HN -0.072 8.198 8.270 -0.000 0.000 0.455 948 D N -2.306 118.095 120.400 0.002 0.000 4.121 948 D HA -0.322 4.471 4.640 0.009 -0.147 0.291 948 D C -0.875 175.428 176.300 0.005 0.000 2.247 948 D CA 1.714 55.717 54.000 0.005 0.000 1.125 948 D CB -0.281 40.521 40.800 0.003 0.000 1.032 948 D HN -0.203 8.069 8.370 0.005 0.101 1.224 949 S N 0.000 115.704 115.700 0.006 0.000 2.498 949 S HA 0.000 4.474 4.470 0.007 0.000 0.327 949 S CA 0.000 58.204 58.200 0.007 0.000 1.107 949 S CB 0.000 63.206 63.200 0.011 0.000 0.593 949 S HN 0.000 8.314 8.310 0.007 0.000 0.517