==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-OCT-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE/TRANSFERASE INHIBITOR 18-JUL-12 4G5P . COMPND 2 MOLECULE: EPIDERMAL GROWTH FACTOR RECEPTOR; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR F.SOLCA,G.DAHL,A.ZOEPHEL,G.BADER,M.SANDERSON,C.KLEIN,O.KRAEM . 602 8 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 29017.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 395 65.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 10 1.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 90 15.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 5 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-1), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+0), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+1), SAME NUMBER PER 100 RESIDUES . 39 6.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 68 11.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 170 28.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 1.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+5), SAME NUMBER PER 100 RESIDUES . 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 *** HISTOGRAMS OF *** . 0 0 0 2 1 0 3 1 1 2 0 0 2 0 0 3 1 0 0 2 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 5 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 5 6 1 5 3 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 3 1 1 1 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 LADDERS PER SHEET . # RESIDUE AA STRUCTURE BP1 BP2 ACC N-H-->O O-->H-N N-H-->O O-->H-N TCO KAPPA ALPHA PHI PSI X-CA Y-CA Z-CA 1 696 A G 0 0 118 0, 0.0 2,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 78.0 2.1 51.1 28.3 2 697 A E - 0 0 116 0, 0.0 3,-0.1 0, 0.0 0, 0.0 -0.987 360.0-116.0-143.0 147.3 2.9 47.4 28.1 3 698 A A - 0 0 81 -2,-0.3 573,-0.1 1,-0.2 2,-0.1 -0.063 54.8 -65.0 -65.4 171.0 6.1 45.4 27.3 4 699 A P - 0 0 49 0, 0.0 -1,-0.2 0, 0.0 573,-0.1 -0.395 41.5-133.8 -57.2 139.8 6.5 43.1 24.3 5 700 A N + 0 0 44 571,-0.2 3,-0.1 1,-0.1 572,-0.1 0.888 30.3 177.2 -68.0 -44.2 4.2 40.0 24.4 6 701 A Q + 0 0 111 1,-0.1 -1,-0.1 531,-0.1 533,-0.1 0.581 25.6 145.7 55.3 12.8 7.0 37.6 23.5 7 702 A A - 0 0 12 1,-0.0 2,-0.4 62,-0.0 533,-0.3 -0.341 45.7-127.0 -75.1 159.4 4.5 34.6 23.8 8 703 A L - 0 0 106 64,-0.3 2,-0.5 -3,-0.1 531,-0.0 -0.902 15.0-164.4-104.2 140.4 4.7 31.5 21.6 9 704 A L - 0 0 7 -2,-0.4 2,-0.6 2,-0.0 525,-0.3 -0.977 14.7-150.0-120.8 115.8 1.8 30.2 19.6 10 705 A R - 0 0 89 -2,-0.5 75,-3.2 73,-0.3 2,-0.4 -0.758 5.0-158.8 -91.6 121.3 2.3 26.7 18.5 11 706 A I B -a 85 0A 23 -2,-0.6 2,-0.4 73,-0.2 75,-0.2 -0.834 17.1-165.8 -95.6 135.5 0.7 25.6 15.2 12 707 A L - 0 0 10 73,-2.7 75,-0.4 -2,-0.4 2,-0.3 -0.955 23.4-121.8-128.3 140.4 0.3 21.8 14.9 13 708 A K > - 0 0 26 -2,-0.4 3,-2.0 1,-0.1 4,-0.4 -0.614 32.6-121.2 -67.6 137.5 -0.5 19.4 12.1 14 709 A E T 3 S+ 0 0 65 514,-1.3 3,-0.4 -2,-0.3 -1,-0.1 0.649 110.8 64.5 -54.0 -19.8 -3.6 17.3 13.0 15 710 A T T 3 S+ 0 0 76 1,-0.2 -1,-0.3 3,-0.1 22,-0.1 0.748 84.1 70.4 -76.0 -29.0 -1.4 14.2 12.7 16 711 A E S < S+ 0 0 19 -3,-2.0 21,-4.5 20,-0.1 2,-0.3 0.752 104.6 43.8 -65.5 -22.2 1.0 15.1 15.6 17 712 A F E -F 36 0B 9 -4,-0.4 2,-0.4 -3,-0.4 19,-0.2 -0.898 64.8-158.9-123.7 152.8 -1.9 14.4 18.1 18 713 A K E -F 35 0B 123 17,-1.7 17,-1.9 -2,-0.3 2,-0.4 -0.990 18.7-133.2-135.1 127.6 -4.5 11.7 18.5 19 714 A K + 0 0 66 -2,-0.4 3,-0.1 15,-0.3 29,-0.0 -0.624 27.2 172.3 -84.3 128.0 -7.8 12.0 20.4 20 715 A I + 0 0 83 -2,-0.4 2,-0.3 1,-0.3 -1,-0.1 0.848 54.9 14.1-107.4 -45.6 -8.5 9.1 22.8 21 716 A K - 0 0 132 0, 0.0 12,-2.8 0, 0.0 2,-0.4 -0.963 66.2-117.0-140.0 155.5 -11.5 9.8 25.0 22 717 A V E +B 32 0A 100 -2,-0.3 10,-0.2 10,-0.2 3,-0.1 -0.760 28.8 167.3 -95.2 131.5 -14.4 12.3 25.3 23 718 A L E - 0 0 107 8,-2.6 2,-0.3 -2,-0.4 9,-0.2 0.814 62.3 -9.8-108.2 -48.2 -14.7 14.6 28.4 24 719 A G E +B 31 0A 30 7,-1.2 7,-2.7 2,-0.0 -1,-0.4 -0.996 51.9 175.8-155.4 150.6 -17.3 17.2 27.5 25 720 A S E +B 30 0A 82 -2,-0.3 5,-0.2 5,-0.2 2,-0.2 -0.980 14.1 141.1-154.6 148.6 -19.5 18.6 24.7 26 721 A G S S- 0 0 53 3,-1.7 -2,-0.0 -2,-0.3 0, 0.0 -0.386 74.1 -46.9-148.3-131.4 -22.3 21.1 24.3 27 722 A A S S+ 0 0 65 -2,-0.2 26,-0.2 1,-0.1 3,-0.1 0.834 129.3 61.3 -85.1 -40.4 -23.1 23.7 21.6 28 723 A F S S- 0 0 92 1,-0.2 25,-4.4 24,-0.1 2,-0.3 0.897 115.5-104.1 -43.8 -49.4 -19.5 25.0 21.4 29 724 A G E - C 0 52A 9 23,-0.3 -3,-1.7 24,-0.1 2,-0.3 -0.936 50.1 -50.0 148.8-135.7 -18.1 21.6 20.3 30 725 A T E -BC 25 51A 30 21,-1.9 21,-3.0 -2,-0.3 2,-0.5 -0.930 25.8-140.8-143.4 157.7 -16.2 19.0 22.3 31 726 A V E -BC 24 50A 42 -7,-2.7 -8,-2.6 -2,-0.3 -7,-1.2 -0.964 25.8-167.0-123.0 113.7 -13.2 18.4 24.6 32 727 A Y E -BC 22 49A 56 17,-3.4 17,-2.4 -2,-0.5 -10,-0.2 -0.405 21.8-137.2 -91.6 168.7 -11.2 15.3 24.1 33 728 A K + 0 0 98 -12,-2.8 -1,-0.2 15,-0.2 14,-0.2 0.868 51.1 136.7 -83.9 -87.5 -8.5 13.6 26.2 34 729 A G - 0 0 3 14,-0.1 13,-1.9 1,-0.1 2,-0.3 0.311 47.6-113.0 72.7 163.2 -5.8 12.5 23.6 35 730 A L E -FG 18 46B 40 -17,-1.9 -17,-1.7 11,-0.2 2,-0.4 -0.994 18.3-130.5-143.6 142.0 -2.0 12.7 23.6 36 731 A W E -FG 17 45B 28 9,-3.5 9,-1.1 -2,-0.3 -19,-0.3 -0.712 10.8-166.0 -96.9 132.7 0.4 14.7 21.4 37 732 A I - 0 0 53 -21,-4.5 7,-0.2 -2,-0.4 3,-0.1 -0.769 27.7-133.0-119.1 82.0 3.3 13.1 19.6 38 733 A P - 0 0 2 0, 0.0 5,-0.3 0, 0.0 -26,-0.0 0.069 30.5 -93.3 -39.8 137.5 5.6 16.0 18.5 39 734 A E S S- 0 0 100 1,-0.2 2,-2.3 3,-0.1 3,-0.1 -0.243 104.9 -4.5 -56.8 136.5 6.8 16.0 14.9 40 735 A G S S+ 0 0 64 -3,-0.1 -1,-0.2 1,-0.1 0, 0.0 -0.480 112.3 98.4 75.4 -69.8 10.2 14.3 14.6 41 736 A E - 0 0 116 -2,-2.3 2,-1.2 1,-0.1 -1,-0.1 -0.205 68.8-145.2 -53.2 128.6 10.6 13.9 18.4 42 737 A K + 0 0 191 -3,-0.1 2,-0.3 2,-0.0 -1,-0.1 -0.629 59.1 118.4 -93.8 72.7 9.7 10.4 19.6 43 738 A V - 0 0 49 -2,-1.2 251,-0.2 -5,-0.3 2,-0.1 -0.916 56.5-139.6-142.4 116.3 8.1 11.6 22.9 44 739 A K B -h 294 0C 99 249,-0.8 251,-1.6 -2,-0.3 -7,-0.2 -0.395 19.5-164.6 -73.7 147.9 4.5 11.0 23.8 45 740 A I E -G 36 0B 7 -9,-1.1 -9,-3.5 249,-0.2 251,-0.1 -0.915 18.0-130.7-143.3 110.3 2.7 13.8 25.6 46 741 A P E +G 35 0B 34 0, 0.0 51,-0.6 0, 0.0 2,-0.3 -0.377 42.1 158.7 -49.8 130.5 -0.6 13.8 27.5 47 742 A V E - D 0 96A 0 -13,-1.9 2,-0.3 49,-0.2 49,-0.2 -0.903 35.5-131.4-144.5 171.6 -2.9 16.6 26.4 48 743 A A E - D 0 95A 14 47,-3.5 47,-1.8 -2,-0.3 2,-0.4 -0.968 22.9-151.8-124.9 148.9 -6.6 17.7 26.3 49 744 A I E -CD 32 94A 0 -17,-2.4 -17,-3.4 -2,-0.3 2,-0.6 -0.979 11.7-164.7-130.7 129.6 -8.3 18.9 23.2 50 745 A K E -CD 31 93A 30 43,-2.1 43,-3.0 -2,-0.4 2,-0.3 -0.955 14.2-173.7-109.9 112.1 -11.2 21.3 22.7 51 746 A E E -CD 30 92A 37 -21,-3.0 -21,-1.9 -2,-0.6 2,-0.3 -0.747 17.7-131.2 -97.0 152.4 -12.7 21.2 19.2 52 747 A L E -C 29 0A 30 39,-1.3 -23,-0.3 -2,-0.3 -24,-0.1 -0.726 10.9-124.4-104.5 158.2 -15.4 23.6 18.1 53 748 A R S S+ 0 0 184 -25,-4.4 -24,-0.1 -2,-0.3 -1,-0.1 0.988 85.2 37.2 -62.1 -65.5 -18.7 22.9 16.4 54 749 A E - 0 0 84 -26,-0.3 37,-0.4 1,-0.1 -2,-0.2 -0.130 53.9-158.1 -90.3 177.5 -18.5 25.1 13.2 55 750 A A S S+ 0 0 21 35,-0.2 498,-0.3 1,-0.1 2,-0.3 0.625 81.1 38.8-124.2 -33.9 -15.8 26.1 10.8 56 751 A T + 0 0 90 496,-0.1 -1,-0.1 499,-0.0 34,-0.1 -0.626 64.9 120.9-131.7 75.1 -17.0 29.3 9.0 57 752 A S > - 0 0 50 -2,-0.3 4,-2.8 1,-0.2 5,-0.3 -0.975 54.0-142.7-122.2 118.0 -18.8 31.8 11.3 58 753 A P H > S+ 0 0 67 0, 0.0 4,-2.1 0, 0.0 -1,-0.2 0.892 96.1 35.2 -45.7 -62.1 -16.8 35.1 11.2 59 754 A K H > S+ 0 0 168 2,-0.2 4,-4.1 1,-0.2 5,-0.1 0.837 114.5 58.5 -66.7 -35.5 -17.2 36.3 14.8 60 755 A A H > S+ 0 0 24 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.943 109.7 43.9 -56.8 -48.6 -17.1 32.7 16.1 61 756 A N H X S+ 0 0 9 -4,-2.8 4,-2.0 2,-0.2 -2,-0.2 0.867 113.6 52.1 -62.6 -37.8 -13.7 32.4 14.4 62 757 A K H X S+ 0 0 132 -4,-2.1 4,-1.4 -5,-0.3 -2,-0.2 0.956 108.3 51.8 -59.3 -50.4 -12.9 35.8 15.9 63 758 A E H >X S+ 0 0 96 -4,-4.1 4,-2.3 1,-0.2 3,-0.7 0.937 112.3 43.0 -53.4 -56.3 -13.9 34.6 19.3 64 759 A I H 3X S+ 0 0 2 -4,-2.3 4,-2.5 1,-0.3 -1,-0.2 0.895 107.6 58.5 -60.6 -43.5 -11.7 31.5 19.4 65 760 A L H 3X S+ 0 0 6 -4,-2.0 4,-1.6 1,-0.2 -1,-0.3 0.800 109.9 46.8 -59.7 -28.2 -8.7 33.3 17.9 66 761 A D H X S+ 0 0 0 -4,-2.5 4,-2.9 2,-0.2 3,-0.5 0.996 107.9 51.6 -64.0 -62.8 -6.1 31.3 22.0 69 764 A Y H 3X S+ 0 0 49 -4,-1.6 4,-2.7 1,-0.3 -2,-0.2 0.852 110.5 49.8 -39.5 -52.0 -4.1 34.5 22.3 70 765 A V H 3X S+ 0 0 18 -4,-2.6 4,-2.1 1,-0.2 -1,-0.3 0.919 113.8 43.9 -59.6 -44.5 -5.1 34.9 25.9 71 766 A M H << S+ 0 0 3 -4,-1.7 11,-1.2 -3,-0.5 -1,-0.2 0.838 112.8 51.1 -74.3 -33.9 -4.1 31.4 26.9 72 767 A A H < S+ 0 0 3 -4,-2.9 -64,-0.3 9,-0.2 -1,-0.2 0.952 112.2 51.1 -59.8 -47.3 -0.9 31.5 24.9 73 768 A S H < S+ 0 0 33 -4,-2.7 -2,-0.2 -5,-0.3 -3,-0.1 0.928 86.8 91.9 -57.3 -61.6 -0.1 34.8 26.7 74 769 A V < - 0 0 6 -4,-2.1 2,-0.2 -5,-0.1 8,-0.1 0.079 44.8-179.1 -46.2 140.9 -0.7 33.9 30.4 75 770 A D + 0 0 112 6,-0.1 5,-0.1 5,-0.0 -1,-0.1 -0.706 27.9 129.7-144.2 90.1 2.3 32.7 32.6 76 771 A N B > -I 79 0D 24 3,-0.6 3,-3.4 -2,-0.2 53,-0.0 -0.983 62.1-124.2-148.6 130.3 1.3 31.9 36.2 77 772 A P T 3 S+ 0 0 82 0, 0.0 -1,-0.1 0, 0.0 52,-0.0 0.767 117.0 40.1 -39.9 -36.1 1.9 28.8 38.4 78 773 A H T 3 S+ 0 0 15 47,-0.1 80,-1.4 79,-0.1 2,-0.4 0.027 101.4 82.5-110.1 24.1 -1.9 28.6 38.8 79 774 A V B < S-Ij 76 158D 3 -3,-3.4 -3,-0.6 78,-0.3 2,-0.2 -0.977 72.4-133.5-128.5 123.7 -3.0 29.5 35.3 80 775 A C - 0 0 2 78,-1.6 2,-0.2 -2,-0.4 -6,-0.1 -0.477 24.5-155.1 -71.4 141.2 -3.2 26.9 32.5 81 776 A R - 0 0 115 -2,-0.2 15,-0.6 -8,-0.1 2,-0.5 -0.593 23.6 -93.1-111.9 168.5 -1.7 28.0 29.2 82 777 A L E - E 0 95A 5 -11,-1.2 13,-0.2 -14,-0.2 -72,-0.2 -0.761 23.3-162.5 -82.1 124.0 -2.3 27.0 25.6 83 778 A L E - 0 0 24 11,-1.0 -73,-0.3 -2,-0.5 2,-0.3 0.964 63.3 -64.4 -64.7 -53.4 0.1 24.3 24.4 84 779 A G E - E 0 94A 0 10,-1.1 10,-1.6 -75,-0.1 2,-0.3 -0.888 50.6 -97.4-171.0-158.1 -0.7 25.1 20.8 85 780 A I E -aE 11 93A 2 -75,-3.2 -73,-2.7 -2,-0.3 2,-0.5 -0.999 5.2-147.6-148.0 141.9 -3.3 25.2 18.1 86 781 A C E - E 0 92A 0 6,-2.4 6,-1.9 -2,-0.3 444,-0.1 -0.982 13.4-160.6-107.2 129.1 -4.6 23.2 15.2 87 782 A L + 0 0 1 442,-1.6 465,-0.3 -2,-0.5 442,-0.3 -0.182 40.8 138.3-104.6 37.1 -5.9 25.6 12.5 88 783 A T S S- 0 0 15 440,-0.3 440,-0.1 2,-0.2 439,-0.1 -0.429 74.2 -85.1 -79.4 159.3 -8.0 23.0 10.7 89 784 A S S S+ 0 0 55 438,-0.4 2,-0.9 1,-0.2 464,-0.2 0.769 129.7 41.4 -31.0 -62.9 -11.6 23.9 9.4 90 785 A T S S- 0 0 32 -34,-0.1 -2,-0.2 -37,-0.0 -35,-0.2 -0.876 108.4-128.0 -89.1 105.3 -13.2 23.2 12.8 91 786 A V - 0 0 5 -2,-0.9 -39,-1.3 -37,-0.4 2,-0.4 -0.281 23.6-156.1 -71.8 141.0 -10.6 24.8 14.9 92 787 A Q E -DE 51 86A 1 -6,-1.9 -6,-2.4 -41,-0.2 2,-0.5 -0.929 7.3-145.6-122.4 138.7 -9.0 22.8 17.8 93 788 A L E -DE 50 85A 4 -43,-3.0 -43,-2.1 -2,-0.4 2,-0.4 -0.902 11.4-153.5-103.9 123.8 -7.3 24.0 21.0 94 789 A I E +DE 49 84A 0 -10,-1.6 -10,-1.1 -2,-0.5 -11,-1.0 -0.802 24.6 166.7 -96.3 141.2 -4.5 21.9 22.3 95 790 A M E -DE 48 82A 29 -47,-1.8 -47,-3.5 -2,-0.4 -13,-0.1 -0.990 40.1 -84.6-163.6 145.0 -3.9 22.2 26.0 96 791 A Q E -D 47 0A 25 -15,-0.6 2,-0.3 -2,-0.3 -49,-0.2 -0.265 42.9-120.7 -71.5 128.7 -2.0 20.5 28.8 97 792 A L - 0 0 31 -51,-0.6 -1,-0.1 -2,-0.1 3,-0.1 -0.429 16.3-151.2 -69.0 121.6 -3.7 17.5 30.4 98 793 A M - 0 0 10 -2,-0.3 3,-0.4 1,-0.2 53,-0.2 -0.870 12.3-146.4 -93.6 118.8 -4.3 17.8 34.1 99 794 A P S S+ 0 0 83 0, 0.0 -1,-0.2 0, 0.0 52,-0.1 0.904 91.1 38.0 -55.4 -56.6 -4.2 14.3 35.4 100 795 A F S S- 0 0 104 50,-0.9 51,-0.1 51,-0.2 6,-0.1 0.672 101.9-153.0 -75.8 -20.8 -6.7 14.4 38.3 101 796 A G E +K 150 0D 21 49,-0.7 49,-0.8 -3,-0.4 -1,-0.2 -0.171 44.2 11.4 82.5-169.2 -9.0 16.7 36.4 102 797 A C E > -K 149 0D 29 47,-0.2 4,-1.8 1,-0.1 47,-0.3 -0.048 63.8-130.9 -56.6 140.7 -11.6 19.3 37.4 103 798 A L H > S+ 0 0 0 45,-3.3 4,-1.0 42,-0.6 43,-0.2 0.650 102.6 64.1 -69.2 -18.6 -11.5 20.2 41.0 104 799 A L H >> S+ 0 0 22 44,-0.4 4,-1.7 41,-0.3 3,-1.0 0.985 105.7 43.0 -64.6 -60.4 -15.3 19.7 41.4 105 800 A D H >> S+ 0 0 87 1,-0.2 4,-1.7 2,-0.2 3,-1.2 0.958 108.6 61.4 -43.3 -59.0 -15.1 16.0 40.7 106 801 A Y H 3X S+ 0 0 23 -4,-1.8 4,-1.6 1,-0.3 -1,-0.2 0.667 105.9 44.2 -51.0 -30.8 -12.0 15.7 42.9 107 802 A V H < S+ 0 0 130 -4,-1.7 3,-0.6 1,-0.1 -2,-0.2 0.944 123.1 34.2 -80.5 -73.2 -14.5 11.7 45.4 110 805 A H H >X S+ 0 0 64 -4,-1.6 4,-3.5 1,-0.2 3,-2.9 0.231 75.2 119.8 -81.5 17.6 -11.8 12.2 48.0 111 806 A K T 3< S+ 0 0 87 -4,-0.8 -1,-0.2 1,-0.3 -3,-0.1 0.832 74.8 56.6 -50.6 -37.8 -13.8 14.2 50.6 112 807 A D T <4 S+ 0 0 128 -3,-0.6 -1,-0.3 1,-0.2 -2,-0.1 0.562 118.7 33.4 -76.3 -9.9 -13.1 11.5 53.2 113 808 A N T <4 S+ 0 0 133 -3,-2.9 -2,-0.2 178,-0.1 -1,-0.2 0.661 99.3 103.6 -97.4 -34.5 -9.4 12.0 52.6 114 809 A I < - 0 0 14 -4,-3.5 2,-0.2 -7,-0.1 177,-0.0 -0.267 53.2-179.1 -64.2 129.2 -9.8 15.8 51.9 115 810 A G > - 0 0 11 -2,-0.1 4,-1.9 176,-0.1 3,-0.3 -0.488 38.0 -90.4-128.2-175.7 -8.7 18.1 54.7 116 811 A S H > S+ 0 0 8 1,-0.2 4,-1.4 2,-0.2 5,-0.2 0.911 112.5 54.0 -69.5 -48.7 -8.3 21.6 56.1 117 812 A Q H > S+ 0 0 84 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.786 113.6 46.0 -59.1 -28.2 -4.7 22.6 55.0 118 813 A Y H > S+ 0 0 101 -3,-0.3 4,-2.6 2,-0.2 5,-0.2 0.945 106.6 53.7 -80.8 -52.2 -5.6 21.7 51.4 119 814 A L H X S+ 0 0 0 -4,-1.9 4,-1.0 1,-0.2 -2,-0.2 0.729 117.0 41.6 -56.3 -24.8 -9.0 23.4 51.1 120 815 A L H X S+ 0 0 0 -4,-1.4 4,-1.9 2,-0.2 -1,-0.2 0.827 112.0 51.1 -90.9 -40.7 -7.2 26.6 52.2 121 816 A N H X S+ 0 0 65 -4,-1.7 4,-1.2 -5,-0.2 -2,-0.2 0.776 111.8 52.1 -65.2 -24.9 -4.0 26.3 50.2 122 817 A W H X S+ 0 0 2 -4,-2.6 4,-2.3 2,-0.2 5,-0.2 0.927 106.0 50.6 -71.8 -50.6 -6.3 25.7 47.2 123 818 A C H X S+ 0 0 0 -4,-1.0 4,-2.2 -5,-0.2 -2,-0.2 0.865 108.5 55.3 -55.9 -39.2 -8.4 28.9 47.8 124 819 A V H X S+ 0 0 2 -4,-1.9 4,-2.2 2,-0.2 -1,-0.2 0.901 107.9 47.9 -57.3 -46.3 -5.1 30.8 48.0 125 820 A Q H X S+ 0 0 21 -4,-1.2 4,-2.4 2,-0.2 -2,-0.2 0.913 110.0 51.1 -65.9 -43.3 -4.0 29.6 44.6 126 821 A I H X S+ 0 0 1 -4,-2.3 4,-2.8 1,-0.2 5,-0.2 0.920 111.6 48.4 -59.0 -46.4 -7.4 30.4 42.9 127 822 A A H X S+ 0 0 0 -4,-2.2 4,-2.8 1,-0.2 5,-0.3 0.909 109.1 54.1 -58.9 -42.5 -7.1 33.9 44.4 128 823 A K H X S+ 0 0 87 -4,-2.2 4,-2.2 2,-0.2 -2,-0.2 0.895 112.6 43.4 -59.2 -43.0 -3.5 34.1 43.1 129 824 A G H X S+ 0 0 0 -4,-2.4 4,-3.1 2,-0.2 5,-0.2 0.970 114.7 47.1 -66.7 -55.4 -4.6 33.2 39.6 130 825 A M H X S+ 0 0 2 -4,-2.8 4,-2.3 1,-0.2 -2,-0.2 0.861 116.3 46.1 -56.0 -38.8 -7.7 35.5 39.5 131 826 A N H X S+ 0 0 19 -4,-2.8 4,-2.5 -5,-0.2 -1,-0.2 0.868 110.9 52.4 -72.2 -37.2 -5.6 38.3 40.9 132 827 A Y H X S+ 0 0 25 -4,-2.2 4,-1.1 -5,-0.3 -2,-0.2 0.885 111.1 47.5 -61.8 -40.7 -2.8 37.5 38.4 133 828 A L H ><>S+ 0 0 1 -4,-3.1 5,-2.0 2,-0.2 3,-0.7 0.924 109.4 53.2 -63.3 -45.5 -5.5 37.7 35.7 134 829 A E H ><5S+ 0 0 33 -4,-2.3 3,-1.6 1,-0.3 -2,-0.2 0.908 102.4 59.5 -54.6 -43.4 -6.7 41.0 37.2 135 830 A D H 3<5S+ 0 0 111 -4,-2.5 -1,-0.3 1,-0.3 -2,-0.2 0.848 106.6 48.4 -52.0 -38.8 -3.1 42.2 37.0 136 831 A R T <<5S- 0 0 158 -4,-1.1 -1,-0.3 -3,-0.7 -2,-0.2 -0.196 117.9-108.9-100.6 39.9 -3.3 41.7 33.2 137 832 A R T < 5S+ 0 0 87 -3,-1.6 30,-1.3 1,-0.2 2,-0.4 0.524 73.7 140.6 56.0 10.1 -6.6 43.4 32.6 138 833 A L E < -M 166 0E 8 -5,-2.0 2,-0.4 28,-0.2 28,-0.2 -0.682 35.9-163.6 -98.6 136.2 -8.3 40.1 31.9 139 834 A V E -M 165 0E 6 26,-0.9 26,-1.6 -2,-0.4 59,-0.1 -0.942 4.7-163.9-120.0 140.4 -11.8 39.1 33.1 140 835 A H - 0 0 2 -2,-0.4 23,-0.3 24,-0.2 -1,-0.1 0.906 0.8-170.0 -92.7 -52.9 -13.0 35.5 33.2 141 836 A R S S+ 0 0 24 56,-0.2 45,-0.1 1,-0.1 23,-0.1 0.524 74.6 68.7 64.8 7.6 -16.8 35.5 33.4 142 837 A D + 0 0 15 18,-0.1 2,-0.2 39,-0.1 5,-0.1 -0.215 55.9 147.9-152.9 59.8 -16.8 31.8 34.1 143 838 A L + 0 0 1 58,-0.1 2,-0.2 3,-0.1 3,-0.1 -0.490 18.1 130.4 -77.9 161.4 -15.3 30.8 37.4 144 839 A A S > S- 0 0 0 -2,-0.2 3,-0.8 1,-0.1 4,-0.2 -0.590 72.8 -94.4 156.4 144.0 -16.7 27.7 39.1 145 840 A A G > S+ 0 0 1 1,-0.3 3,-2.7 -2,-0.2 -42,-0.6 0.924 122.6 66.8 -37.9 -59.2 -15.2 24.6 40.7 146 841 A R G 3 S+ 0 0 86 1,-0.3 -43,-0.3 -43,-0.2 -1,-0.3 0.826 97.4 49.3 -16.7 -70.8 -15.8 23.1 37.3 147 842 A N G < S+ 0 0 14 -3,-0.8 12,-2.1 -5,-0.1 2,-0.4 0.152 93.4 89.5 -81.9 22.6 -13.2 25.3 35.5 148 843 A V E < - L 0 158D 0 -3,-2.7 -45,-3.3 10,-0.2 -44,-0.4 -0.968 61.9-160.9-112.7 137.9 -10.4 24.6 38.0 149 844 A L E -KL 102 157D 30 8,-3.1 8,-1.8 -2,-0.4 2,-0.6 -0.741 14.2-128.2-117.5 165.8 -8.1 21.7 37.4 150 845 A V E +KL 101 156D 0 -49,-0.8 -50,-0.9 -2,-0.3 -49,-0.7 -0.949 24.3 170.5-118.6 109.6 -5.8 19.7 39.6 151 846 A K E S- 0 0 37 4,-1.2 -51,-0.2 -2,-0.6 -1,-0.2 0.901 88.2 -14.2 -73.1 -48.7 -2.2 19.1 38.4 152 847 A T E > S- L 0 155D 51 3,-1.7 3,-2.5 -3,-0.1 -1,-0.4 -0.941 77.2-104.5-155.6 137.1 -1.5 17.7 41.9 153 848 A P T 3 S+ 0 0 25 0, 0.0 3,-0.1 0, 0.0 -31,-0.0 0.595 123.2 54.2 -38.4 -22.7 -3.6 17.8 45.1 154 849 A Q T 3 S+ 0 0 113 1,-0.2 2,-0.2 -32,-0.0 -4,-0.0 0.049 115.5 40.0 -98.8 21.6 -1.1 20.4 46.4 155 850 A H E < - L 0 152D 43 -3,-2.5 -3,-1.7 2,-0.0 -4,-1.2 -0.816 61.6-175.7-173.8 124.3 -1.6 22.6 43.3 156 851 A V E - L 0 150D 2 -2,-0.2 2,-0.3 -6,-0.2 -6,-0.2 -0.919 7.9-157.2-129.4 154.2 -4.5 23.7 41.1 157 852 A K E - L 0 149D 29 -8,-1.8 -8,-3.1 -2,-0.3 2,-0.5 -0.919 19.4-114.7-132.9 156.8 -4.7 25.8 37.9 158 853 A I E +jL 79 148D 2 -80,-1.4 -78,-1.6 -2,-0.3 2,-0.2 -0.807 36.9 171.1-101.5 125.5 -7.4 27.8 36.1 159 854 A T + 0 0 9 -12,-2.1 -78,-0.0 -2,-0.5 -12,-0.0 -0.710 35.8 64.7-124.2 171.5 -8.7 26.8 32.7 160 855 A D + 0 0 46 -2,-0.2 3,-0.4 1,-0.1 -1,-0.1 0.982 36.0 178.3 78.0 83.8 -11.5 27.6 30.2 161 856 A F + 0 0 5 1,-0.2 3,-0.3 2,-0.1 -91,-0.1 -0.176 44.8 119.3-103.1 36.7 -11.1 31.2 28.8 162 857 A G S S+ 0 0 26 1,-0.2 -1,-0.2 -20,-0.1 -95,-0.1 0.675 81.0 34.8 -80.0 -21.3 -14.1 30.8 26.6 163 858 A L S S+ 0 0 41 -3,-0.4 -1,-0.2 -23,-0.3 -2,-0.1 0.280 92.1 123.0-112.4 8.1 -16.1 33.6 28.1 164 859 A A - 0 0 12 -3,-0.3 2,-0.3 -22,-0.1 -24,-0.2 -0.307 37.4-173.8 -68.7 150.6 -13.1 35.8 28.8 165 860 A K E -M 139 0E 53 -26,-1.6 -26,-0.9 -99,-0.0 2,-0.1 -0.917 19.5-133.6-145.9 122.7 -12.9 39.4 27.4 166 861 A L E -M 138 0E 91 -2,-0.3 2,-0.3 -28,-0.2 -28,-0.2 -0.473 23.9-132.8 -77.5 147.4 -9.8 41.6 27.7 167 862 A L - 0 0 14 -30,-1.3 7,-0.1 1,-0.1 -1,-0.1 -0.773 10.8-129.5-109.1 148.1 -10.3 45.2 28.7 168 863 A G - 0 0 31 -2,-0.3 -1,-0.1 1,-0.0 0, 0.0 0.339 39.0 -79.6 -75.8-155.2 -9.0 48.5 27.3 169 864 A A S S+ 0 0 89 1,-0.1 -2,-0.0 3,-0.0 -32,-0.0 0.993 123.9 18.2 -78.1 -66.7 -7.3 51.5 28.9 170 865 A E S S+ 0 0 178 2,-0.0 -1,-0.1 0, 0.0 -3,-0.0 0.755 103.8 110.3 -78.1 -27.4 -10.0 53.6 30.5 171 866 A E + 0 0 103 1,-0.1 -4,-0.1 2,-0.0 3,-0.1 -0.180 34.3 167.8 -47.3 133.1 -12.4 50.6 30.4 172 867 A K + 0 0 175 1,-0.1 26,-0.4 24,-0.0 2,-0.3 0.333 64.2 22.8-126.3 -0.3 -13.2 49.1 33.7 173 868 A E - 0 0 107 24,-0.1 2,-0.3 25,-0.1 24,-0.2 -0.874 63.4-132.2-151.1-180.0 -16.1 46.8 32.6 174 869 A Y E -N 196 0F 66 22,-1.6 22,-1.2 -2,-0.3 2,-0.6 -0.956 8.7-147.5-149.0 131.3 -17.8 45.0 29.7 175 870 A H E -N 195 0F 106 -2,-0.3 20,-0.2 20,-0.2 2,-0.1 -0.853 15.4-154.3 -99.0 117.0 -21.3 44.8 28.5 176 871 A A - 0 0 9 18,-1.9 3,-0.1 -2,-0.6 -2,-0.0 -0.409 3.8-152.6 -77.8 164.6 -22.4 41.5 26.9 177 872 A E - 0 0 174 1,-0.4 -1,-0.0 -2,-0.1 17,-0.0 -0.300 62.8 -39.6-140.0 53.8 -25.3 41.4 24.3 178 873 A G S S+ 0 0 54 1,-0.1 -1,-0.4 16,-0.0 2,-0.2 0.307 73.8 129.4 99.4 136.9 -26.8 37.9 24.5 179 874 A G - 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