==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 12-NOV-07 3BCE . COMPND 2 MOLECULE: RECEPTOR TYROSINE-PROTEIN KINASE ERBB-4; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR C.QIU . 857 9 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 43352.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 567 66.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 15 1.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 135 15.8 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 . 3 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 5 0.6 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 . 0 0.0 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 . 55 6.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 109 12.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 233 27.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 10 1.2 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 1 0 6 3 0 2 1 0 3 3 0 0 3 0 0 0 3 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 3 3 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 . 7 5 1 7 1 1 3 2 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 . 5 0 3 0 3 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 1 678 A T 0 0 169 0, 0.0 3,-0.1 0, 0.0 165,-0.0 0.000 360.0 360.0 360.0 138.3 8.8 -11.6 21.2 2 679 A A - 0 0 84 1,-0.1 2,-0.2 2,-0.0 0, 0.0 -0.269 360.0 -95.4 -65.2 148.2 12.4 -10.8 22.1 3 680 A P - 0 0 107 0, 0.0 2,-1.1 0, 0.0 -1,-0.1 -0.448 33.3-123.7 -73.6 145.3 13.1 -9.2 25.4 4 681 A N + 0 0 88 -2,-0.2 67,-0.0 1,-0.1 -2,-0.0 -0.674 35.5 166.3 -94.6 91.9 13.4 -5.4 25.6 5 682 A Q + 0 0 159 -2,-1.1 -1,-0.1 66,-0.1 2,-0.1 -0.165 20.8 144.7-102.1 37.8 16.7 -4.3 27.1 6 683 A A - 0 0 43 61,-0.1 2,-0.6 1,-0.1 65,-0.1 -0.424 52.5-118.4 -53.1 145.7 16.6 -0.7 26.1 7 684 A Q - 0 0 157 63,-0.2 2,-0.8 -2,-0.1 -2,-0.1 -0.868 16.6-146.1-102.9 120.5 18.2 1.5 28.8 8 685 A L - 0 0 84 -2,-0.6 2,-0.6 74,-0.0 74,-0.1 -0.742 14.4-147.1 -85.3 111.8 16.0 4.1 30.6 9 686 A R - 0 0 101 -2,-0.8 74,-2.1 72,-0.1 2,-0.7 -0.693 5.0-153.7 -85.4 116.8 18.1 7.1 31.5 10 687 A I E -a 83 0A 95 -2,-0.6 2,-0.4 72,-0.1 74,-0.2 -0.840 14.4-152.5 -94.4 112.7 17.0 8.8 34.7 11 688 A L E -a 84 0A 4 72,-2.9 74,-0.6 -2,-0.7 2,-0.2 -0.677 9.1-131.5 -92.1 131.0 18.0 12.5 34.6 12 689 A K > - 0 0 118 -2,-0.4 3,-1.9 72,-0.1 4,-0.3 -0.564 23.6-122.7 -74.7 145.2 18.8 14.6 37.7 13 690 A E G > S+ 0 0 96 1,-0.3 3,-2.8 -2,-0.2 -1,-0.1 0.888 110.0 65.8 -61.1 -36.7 17.0 17.9 37.7 14 691 A T G 3 S+ 0 0 112 1,-0.3 -1,-0.3 3,-0.0 22,-0.1 0.650 93.1 63.9 -58.5 -16.4 20.3 19.8 38.0 15 692 A E G < S+ 0 0 14 -3,-1.9 21,-2.7 20,-0.1 2,-0.4 0.577 97.9 69.2 -79.7 -12.8 21.1 18.4 34.5 16 693 A L E < -B 35 0A 22 -3,-2.8 2,-0.5 -4,-0.3 19,-0.2 -0.916 55.8-171.8-120.8 135.6 18.2 20.4 32.9 17 694 A K E -B 34 0A 51 17,-2.2 17,-1.8 -2,-0.4 2,-0.5 -0.991 17.0-145.3-122.9 123.8 17.6 24.0 32.3 18 695 A R E +B 33 0A 90 -2,-0.5 15,-0.2 15,-0.2 382,-0.1 -0.781 24.8 167.9 -88.8 127.1 14.2 25.2 31.1 19 696 A V E - 0 0 4 13,-2.8 383,-0.3 -2,-0.5 2,-0.3 0.857 56.0 -1.3-107.0 -51.8 14.4 28.1 28.8 20 697 A K E -B 32 0A 46 12,-1.3 12,-3.3 544,-0.1 2,-0.4 -0.999 62.7-115.8-149.0 140.7 11.1 28.8 27.0 21 698 A V E -B 31 0A 47 -2,-0.3 10,-0.3 10,-0.2 3,-0.1 -0.694 24.1-175.4 -78.5 128.4 7.6 27.4 26.8 22 699 A L E - 0 0 93 8,-3.4 2,-0.3 -2,-0.4 9,-0.2 0.728 65.1 -12.3 -92.1 -28.7 6.9 26.0 23.4 23 700 A G E +B 30 0A 26 7,-1.3 7,-2.3 2,-0.0 -1,-0.4 -0.972 58.5 179.4-172.9 155.7 3.3 25.1 24.0 24 701 A S + 0 0 81 -2,-0.3 2,-0.3 5,-0.2 5,-0.2 -0.954 24.4 99.4-158.0 167.9 0.6 24.6 26.6 25 702 A G S > S- 0 0 40 3,-0.3 3,-1.0 -2,-0.3 27,-0.2 -0.990 84.2 -19.4 146.7-149.1 -3.1 23.7 27.2 26 703 A A T 3 S+ 0 0 102 -2,-0.3 26,-0.2 1,-0.2 3,-0.1 0.792 128.3 55.6 -63.9 -33.1 -5.1 20.6 28.2 27 704 A F T 3 S- 0 0 112 1,-0.3 2,-0.3 24,-0.1 -1,-0.2 0.643 116.4-103.6 -74.4 -17.3 -2.4 18.1 27.3 28 705 A G < - 0 0 0 -3,-1.0 2,-0.4 23,-0.2 -3,-0.3 -0.850 46.9 -59.3 118.5-162.1 0.2 19.7 29.5 29 706 A T E - C 0 50A 17 21,-2.4 21,-2.8 -2,-0.3 2,-0.5 -0.966 31.1-153.4-132.5 139.6 3.2 21.9 28.7 30 707 A V E -BC 23 49A 31 -7,-2.3 -8,-3.4 -2,-0.4 -7,-1.3 -0.948 15.9-165.0-112.6 128.1 6.4 21.6 26.5 31 708 A Y E -BC 21 48A 41 17,-3.5 17,-2.3 -2,-0.5 2,-0.4 -0.723 18.4-130.6-105.5 154.1 9.6 23.5 27.2 32 709 A K E +BC 20 47A 40 -12,-3.3 -13,-2.8 -2,-0.3 -12,-1.3 -0.867 45.2 158.9 -96.3 140.9 12.7 24.2 25.2 33 710 A G E -BC 18 46A 0 13,-2.9 13,-3.0 -2,-0.4 2,-0.4 -0.952 43.7-112.4-152.9 162.7 15.8 23.5 27.2 34 711 A I E -BC 17 45A 11 -17,-1.8 -17,-2.2 -2,-0.3 2,-0.5 -0.890 28.1-163.3 -96.6 141.8 19.4 22.8 27.6 35 712 A W E -BC 16 44A 12 9,-1.7 9,-2.7 -2,-0.4 -19,-0.2 -0.993 6.2-168.5-122.7 125.8 20.5 19.5 28.9 36 713 A V - 0 0 46 -21,-2.7 7,-0.1 -2,-0.5 3,-0.1 -0.945 23.0-134.8-108.6 114.3 23.9 18.8 30.2 37 714 A P > - 0 0 4 0, 0.0 3,-3.7 0, 0.0 2,-0.2 -0.320 42.0 -70.9 -64.0 137.9 24.5 15.1 30.7 38 715 A E T 3 S- 0 0 102 1,-0.3 3,-0.1 3,-0.0 -23,-0.0 -0.510 112.0 -9.8 -66.0 135.0 26.1 14.0 33.9 39 716 A G T 3 S+ 0 0 79 1,-0.2 -1,-0.3 -2,-0.2 2,-0.1 -0.174 107.4 101.4-111.4 79.3 29.0 14.7 34.1 40 717 A E < - 0 0 107 -3,-3.7 -1,-0.2 2,-0.1 -4,-0.0 -0.375 60.9-131.2-104.0-174.2 30.0 16.0 30.6 41 718 A T + 0 0 137 -2,-0.1 -1,-0.1 -3,-0.1 -3,-0.0 0.610 67.3 110.9-112.7 -20.0 30.4 19.5 29.3 42 719 A V - 0 0 71 1,-0.1 2,-0.7 -5,-0.1 -2,-0.1 -0.242 60.3-138.5 -63.9 139.4 28.4 19.4 26.1 43 720 A K - 0 0 117 -7,-0.1 -7,-0.2 -9,-0.1 -1,-0.1 -0.898 17.1-163.6-102.4 110.5 25.1 21.4 25.9 44 721 A I E -C 35 0A 44 -9,-2.7 -9,-1.7 -2,-0.7 2,-0.2 -0.842 19.6-128.0 -99.4 118.3 22.2 19.5 24.1 45 722 A P E -C 34 0A 65 0, 0.0 50,-2.1 0, 0.0 2,-0.3 -0.475 43.2-178.3 -64.2 131.0 19.2 21.4 22.9 46 723 A V E -CD 33 94A 0 -13,-3.0 -13,-2.9 48,-0.3 2,-0.4 -0.905 34.8-135.8-142.3 149.4 16.2 19.7 24.4 47 724 A A E -CD 32 93A 12 46,-3.2 46,-2.4 -2,-0.3 2,-0.5 -0.942 21.9-163.5-105.9 136.9 12.4 19.5 24.6 48 725 A I E -CD 31 92A 0 -17,-2.3 -17,-3.5 -2,-0.4 2,-0.5 -0.967 3.9-166.3-127.1 110.9 11.0 19.0 28.1 49 726 A K E +CD 30 91A 31 42,-2.7 42,-2.2 -2,-0.5 2,-0.3 -0.870 10.5 172.5-105.1 126.8 7.4 17.9 28.4 50 727 A I E -CD 29 90A 18 -21,-2.8 -21,-2.4 -2,-0.5 2,-0.3 -0.911 31.3-114.1-122.0 155.4 5.4 17.9 31.7 51 728 A L - 0 0 34 38,-0.5 -23,-0.2 -2,-0.3 2,-0.2 -0.636 34.6-110.5 -77.7 145.3 1.8 17.3 32.6 52 729 A N - 0 0 63 -2,-0.3 2,-2.7 -26,-0.2 -1,-0.1 -0.500 54.1 -78.8 -72.4 154.4 -0.3 20.2 33.9 53 730 A E 0 0 194 1,-0.3 -1,-0.1 -2,-0.2 -25,-0.0 -0.203 360.0 360.0 -72.2 72.7 -1.2 19.8 37.5 54 731 A T 0 0 125 -2,-2.7 -1,-0.3 2,-0.0 4,-0.2 0.263 360.0 360.0-171.6 360.0 -4.1 17.3 37.2 55 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 56 734 A P 0 0 149 0, 0.0 3,-0.2 0, 0.0 4,-0.2 0.000 360.0 360.0 360.0 -60.0 -5.5 10.0 37.9 57 735 A K > + 0 0 150 1,-0.1 4,-2.4 2,-0.1 5,-0.2 0.314 360.0 102.2 -97.4 5.2 -3.8 7.6 35.5 58 736 A A H > S+ 0 0 39 1,-0.2 4,-1.6 -4,-0.2 -1,-0.1 0.823 80.5 45.6 -60.4 -39.3 -2.1 10.5 33.7 59 737 A N H > S+ 0 0 87 -3,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.880 112.3 49.8 -72.9 -43.4 1.3 10.0 35.3 60 738 A V H > S+ 0 0 88 -4,-0.2 4,-1.8 2,-0.2 -2,-0.2 0.902 112.8 47.9 -59.8 -43.8 1.3 6.2 34.8 61 739 A E H X S+ 0 0 80 -4,-2.4 4,-2.5 1,-0.2 -2,-0.2 0.856 105.8 57.2 -72.4 -35.6 0.4 6.7 31.1 62 740 A F H X S+ 0 0 7 -4,-1.6 4,-1.7 1,-0.2 -1,-0.2 0.885 108.1 48.8 -55.8 -41.6 3.1 9.4 30.7 63 741 A M H X S+ 0 0 68 -4,-1.6 4,-2.0 2,-0.2 -2,-0.2 0.879 108.1 53.3 -68.5 -37.7 5.6 6.8 31.8 64 742 A D H X S+ 0 0 93 -4,-1.8 4,-1.6 1,-0.2 -2,-0.2 0.900 108.5 50.4 -60.7 -42.3 4.1 4.2 29.4 65 743 A E H X S+ 0 0 14 -4,-2.5 4,-2.0 1,-0.2 -1,-0.2 0.876 108.1 53.8 -61.8 -39.6 4.6 6.7 26.6 66 744 A A H X S+ 0 0 4 -4,-1.7 4,-1.3 1,-0.2 -2,-0.2 0.857 103.9 55.2 -65.2 -38.3 8.3 7.2 27.8 67 745 A L H X S+ 0 0 105 -4,-2.0 4,-0.9 2,-0.2 -1,-0.2 0.919 107.4 50.0 -60.6 -43.2 8.9 3.5 27.6 68 746 A I H >< S+ 0 0 20 -4,-1.6 3,-1.1 1,-0.2 4,-0.3 0.955 111.2 47.1 -61.4 -49.7 7.9 3.4 23.9 69 747 A M H 3< S+ 0 0 5 -4,-2.0 11,-1.5 1,-0.3 3,-0.4 0.737 111.3 53.2 -65.4 -22.5 10.1 6.4 23.0 70 748 A A H 3< S+ 0 0 8 -4,-1.3 -1,-0.3 9,-0.2 -63,-0.2 0.678 102.5 59.4 -84.8 -16.0 13.0 4.8 24.8 71 749 A S S << S+ 0 0 16 -3,-1.1 2,-0.4 -4,-0.9 -1,-0.2 0.402 97.5 65.9 -95.6 -1.5 12.7 1.5 23.0 72 750 A M - 0 0 9 -3,-0.4 2,-0.3 -4,-0.3 8,-0.2 -0.947 49.1-168.5-131.7 147.0 13.2 2.7 19.4 73 751 A D + 0 0 121 -2,-0.4 5,-0.1 6,-0.1 -3,-0.0 -0.787 34.2 140.8-131.1 85.7 15.9 4.2 17.2 74 752 A H > - 0 0 30 3,-0.4 3,-1.8 -2,-0.3 -2,-0.1 -0.988 54.4-130.5-125.6 138.3 14.4 5.4 13.9 75 753 A P T 3 S+ 0 0 71 0, 0.0 -1,-0.1 0, 0.0 4,-0.1 0.702 110.8 44.0 -56.5 -20.7 15.4 8.7 12.1 76 754 A H T 3 S+ 0 0 22 79,-0.1 80,-2.7 47,-0.1 2,-0.4 0.043 100.8 77.1-120.3 26.3 11.7 9.5 11.8 77 755 A L B < S-f 156 0B 3 -3,-1.8 -3,-0.4 78,-0.3 80,-0.2 -1.000 84.7-113.7-129.4 133.0 10.4 8.6 15.3 78 756 A V - 0 0 9 78,-2.5 2,-0.4 -2,-0.4 -6,-0.1 -0.439 33.7-152.7 -63.7 132.6 11.0 10.8 18.4 79 757 A R - 0 0 91 -2,-0.1 15,-0.7 15,-0.1 -9,-0.2 -0.895 11.2-122.8-111.1 138.5 13.3 9.1 20.8 80 758 A L E + E 0 93A 6 -11,-1.5 13,-0.2 -2,-0.4 3,-0.1 -0.461 31.3 167.6 -72.8 151.7 13.4 9.7 24.6 81 759 A L E + 0 0 49 11,-3.0 -72,-0.1 1,-0.3 12,-0.1 0.868 62.6 57.4 -95.8 -46.0 16.7 10.8 26.2 82 760 A G E + 0 0 0 10,-0.5 10,-4.1 -74,-0.1 2,-0.5 -0.975 40.0 161.2 162.0 38.2 15.3 11.5 28.8 83 761 A V E +aE 10 91A 1 -74,-2.1 -72,-2.9 8,-0.2 2,-0.4 -0.954 18.6 179.4-123.4 125.9 13.3 11.1 32.0 84 762 A C E -aE 11 90A 1 6,-2.7 6,-2.5 -2,-0.5 -72,-0.1 -0.941 9.2-169.9-117.4 143.7 13.4 13.4 35.0 85 763 A L + 0 0 92 -74,-0.6 -1,-0.1 -2,-0.4 -73,-0.1 0.745 42.3 113.3-105.9 -32.0 11.3 12.9 38.1 86 764 A S S S- 0 0 65 1,-0.2 -1,-0.1 4,-0.1 4,-0.0 -0.833 90.8 -4.9-101.2 137.9 11.6 16.1 40.3 87 765 A P S S- 0 0 108 0, 0.0 2,-0.3 0, 0.0 -1,-0.2 -0.985 140.6 -18.4 -86.8 -15.5 9.5 18.0 40.9 88 766 A T S S- 0 0 62 -4,-0.0 2,-0.1 0, 0.0 -4,-0.0 -0.867 89.5 -69.5-134.5 170.9 7.1 16.2 38.6 89 767 A I - 0 0 24 -2,-0.3 -38,-0.5 -6,-0.0 2,-0.3 -0.382 52.5-178.9 -60.6 136.8 7.6 13.7 35.8 90 768 A Q E -DE 50 84A 7 -6,-2.5 -6,-2.7 -40,-0.1 2,-0.5 -0.962 19.8-145.6-143.3 126.9 9.2 15.3 32.7 91 769 A L E -DE 49 83A 3 -42,-2.2 -42,-2.7 -2,-0.3 2,-0.5 -0.796 16.5-156.7 -89.4 128.7 10.0 13.6 29.4 92 770 A V E +D 48 0A 0 -10,-4.1 -11,-3.0 -2,-0.5 -10,-0.5 -0.929 19.1 165.8-115.2 119.8 13.2 14.9 27.7 93 771 A T E -DE 47 80A 20 -46,-2.4 -46,-3.2 -2,-0.5 -13,-0.1 -0.885 47.4 -80.7-128.6 159.1 13.7 14.5 24.0 94 772 A Q E -D 46 0A 84 -15,-0.7 -48,-0.3 -2,-0.3 2,-0.1 -0.366 61.7-100.0 -58.0 134.3 16.1 16.0 21.4 95 773 A L - 0 0 26 -50,-2.1 -1,-0.1 -62,-0.1 -63,-0.1 -0.394 24.6-152.4 -63.3 130.5 14.8 19.5 20.5 96 774 A M > - 0 0 17 1,-0.2 3,-1.7 -2,-0.1 52,-0.2 -0.879 12.9-162.8 -99.1 96.4 12.8 19.7 17.2 97 775 A P T 3 S+ 0 0 83 0, 0.0 52,-0.2 0, 0.0 -1,-0.2 0.816 79.6 51.7 -53.3 -41.1 13.6 23.4 16.3 98 776 A H T 3 S- 0 0 89 50,-1.6 51,-0.1 1,-0.2 6,-0.1 0.220 97.8-139.2 -90.2 16.7 10.8 23.9 13.7 99 777 A G < - 0 0 31 -3,-1.7 49,-2.9 49,-0.2 -1,-0.2 -0.128 52.1 -9.8 62.9-156.6 7.9 22.7 15.8 100 778 A C B > -G 147 0B 21 47,-0.2 4,-2.0 1,-0.1 3,-0.4 -0.477 60.3-125.9 -82.0 148.4 5.0 20.6 14.5 101 779 A L H > S+ 0 0 0 45,-3.9 4,-2.7 42,-0.5 5,-0.2 0.846 104.1 62.3 -63.0 -40.1 4.5 19.9 10.8 102 780 A L H > S+ 0 0 46 41,-1.3 4,-0.9 44,-0.3 -1,-0.2 0.880 111.0 38.2 -50.2 -50.3 0.8 21.2 10.7 103 781 A E H > S+ 0 0 120 -3,-0.4 4,-2.9 2,-0.2 5,-0.2 0.883 112.2 59.5 -70.2 -40.5 1.8 24.7 11.7 104 782 A Y H X S+ 0 0 21 -4,-2.0 4,-2.1 1,-0.2 -2,-0.2 0.910 106.0 46.9 -52.2 -48.2 5.0 24.5 9.6 105 783 A V H < S+ 0 0 0 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.764 113.0 50.9 -71.5 -24.6 3.0 23.9 6.4 106 784 A H H >< S+ 0 0 104 -4,-0.9 3,-1.1 -5,-0.2 -2,-0.2 0.946 112.9 43.4 -69.7 -53.3 0.6 26.8 7.3 107 785 A E H 3< S+ 0 0 134 -4,-2.9 3,-0.3 1,-0.2 -2,-0.2 0.895 123.4 34.8 -59.6 -43.5 3.4 29.3 8.0 108 786 A H T >X S+ 0 0 63 -4,-2.1 3,-3.0 -5,-0.2 4,-0.8 0.092 75.5 128.1-106.3 20.6 5.5 28.5 5.0 109 787 A K T <4 S+ 0 0 87 -3,-1.1 3,-0.5 1,-0.3 -1,-0.2 0.783 75.2 49.9 -53.4 -34.9 2.8 27.7 2.5 110 788 A D T 34 S+ 0 0 158 -3,-0.3 -1,-0.3 1,-0.2 -2,-0.1 0.513 115.0 47.0 -78.3 -3.9 4.1 30.0 -0.2 111 789 A N T <4 S+ 0 0 134 -3,-3.0 2,-0.5 -6,-0.1 -2,-0.2 0.435 87.1 98.0-120.1 -8.9 7.6 28.5 0.3 112 790 A I < - 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0 0 151 -4,-0.1 3,-0.9 -2,-0.1 -1,-0.1 -0.848 35.0-117.6 -86.6 114.9 -20.5 27.6 25.7 795 895 C P T 3 S+ 0 0 3 0, 0.0 3,-0.1 0, 0.0 -35,-0.1 -0.304 92.0 1.4 -63.5 136.3 -22.6 24.6 26.8 796 896 C Y T > S- 0 0 15 1,-0.2 3,-1.4 2,-0.1 2,-0.1 0.939 91.3-154.0 49.9 54.3 -20.6 21.4 27.4 797 897 C D T < S+ 0 0 125 -3,-0.9 -1,-0.2 1,-0.2 -4,-0.0 -0.381 72.7 13.1 -58.5 125.3 -17.4 23.3 26.5 798 898 C G T 3 S+ 0 0 68 1,-0.2 -1,-0.2 -3,-0.1 -2,-0.1 0.065 95.6 114.6 97.6 -25.6 -14.8 20.9 25.1 799 899 C I < - 0 0 49 -3,-1.4 -1,-0.2 -4,-0.1 5,-0.1 -0.702 68.8-122.1 -83.8 121.8 -17.1 17.9 24.6 800 900 C P >> - 0 0 49 0, 0.0 3,-1.7 0, 0.0 4,-0.5 -0.281 19.1-117.7 -56.6 146.0 -17.5 17.0 20.9 801 901 C T G >4 S+ 0 0 29 1,-0.3 3,-1.0 2,-0.2 -2,-0.0 0.836 114.7 67.2 -51.0 -37.0 -21.1 17.0 19.5 802 902 C R G 34 S+ 0 0 77 1,-0.2 4,-0.3 2,-0.1 -1,-0.3 0.804 101.6 45.0 -46.4 -38.7 -20.5 13.2 18.9 803 903 C E G <> S+ 0 0 80 -3,-1.7 4,-2.1 1,-0.2 -1,-0.2 0.502 89.6 88.3 -95.3 -6.7 -20.4 12.5 22.7 804 904 C I H S+ 0 0 10 0, 0.0 4,-2.3 0, 0.0 -1,-0.2 0.936 113.0 48.0 -53.8 -47.4 -26.2 12.0 23.2 806 906 C D H > S+ 0 0 94 -4,-0.3 4,-1.2 2,-0.2 -2,-0.2 0.860 109.4 52.5 -57.5 -46.3 -24.1 9.7 25.4 807 907 C L H <>S+ 0 0 6 -4,-2.1 5,-1.6 2,-0.2 4,-0.4 0.921 113.5 42.4 -52.0 -53.9 -23.6 12.4 28.0 808 908 C L H ><5S+ 0 0 1 -4,-2.6 3,-1.3 1,-0.2 -2,-0.2 0.850 106.7 60.8 -65.4 -37.4 -27.2 13.2 28.3 809 909 C E H 3<5S+ 0 0 95 -4,-2.3 -1,-0.2 -5,-0.3 -2,-0.2 0.813 100.6 57.5 -59.2 -31.4 -28.2 9.5 28.2 810 910 C K T 3<5S- 0 0 142 -4,-1.2 -1,-0.3 -3,-0.2 -2,-0.2 0.716 122.3-111.2 -68.2 -21.2 -26.1 9.1 31.4 811 911 C G T < 5 + 0 0 46 -3,-1.3 2,-0.2 -4,-0.4 -3,-0.2 0.499 68.3 148.5 93.9 7.7 -28.3 11.8 33.0 812 912 C E < + 0 0 88 -5,-1.6 -1,-0.3 -6,-0.2 2,-0.2 -0.531 22.0 179.6 -69.2 139.6 -25.4 14.3 33.0 813 913 C R - 0 0 42 -2,-0.2 16,-0.0 -3,-0.1 -17,-0.0 -0.791 37.2 -62.9-133.6 177.2 -26.6 17.9 32.6 814 914 C L - 0 0 0 -2,-0.2 -1,-0.1 1,-0.1 15,-0.0 -0.318 62.9-104.1 -63.8 144.8 -25.1 21.4 32.5 815 915 C P - 0 0 83 0, 0.0 -1,-0.1 0, 0.0 -19,-0.0 -0.183 35.7 -94.2 -71.2 162.3 -23.3 22.5 35.7 816 916 C Q - 0 0 91 2,-0.0 6,-0.1 1,-0.0 10,-0.0 -0.680 45.9-124.4 -75.5 113.6 -24.7 25.0 38.3 817 917 C P > - 0 0 3 0, 0.0 3,-2.1 0, 0.0 8,-0.1 -0.347 19.3-114.1 -63.8 139.8 -23.3 28.4 37.4 818 918 C P T 3 S+ 0 0 132 0, 0.0 -28,-0.1 0, 0.0 43,-0.1 0.744 114.2 47.2 -39.0 -41.9 -21.4 30.2 40.2 819 919 C I T 3 S+ 0 0 19 -30,-0.4 42,-2.9 41,-0.1 2,-0.4 0.694 92.0 101.3 -81.2 -17.0 -24.0 33.0 40.5 820 920 C C B < -G 860 0O 9 -3,-2.1 40,-0.2 40,-0.2 2,-0.1 -0.513 61.4-145.4 -80.5 126.4 -27.0 30.8 40.5 821 921 C T >> - 0 0 27 38,-1.8 4,-2.5 -2,-0.4 3,-0.9 -0.439 35.7-105.2 -70.0 158.4 -28.8 29.9 43.7 822 922 C I H 3> S+ 0 0 116 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.838 121.4 64.8 -53.2 -33.6 -30.3 26.4 43.8 823 923 C D H 3> S+ 0 0 71 1,-0.2 4,-0.9 2,-0.2 -1,-0.2 0.894 109.4 36.6 -58.0 -40.6 -33.7 28.0 43.3 824 924 C V H <> S+ 0 0 0 -3,-0.9 4,-1.6 35,-0.3 -2,-0.2 0.900 116.7 50.9 -80.8 -42.8 -32.6 29.2 39.8 825 925 C Y H X S+ 0 0 43 -4,-2.5 4,-2.8 1,-0.2 -2,-0.2 0.860 105.3 57.9 -63.1 -36.3 -30.6 26.1 38.9 826 926 C M H X S+ 0 0 78 -4,-2.7 4,-2.7 -5,-0.2 -1,-0.2 0.909 102.1 54.1 -61.9 -40.8 -33.4 23.9 39.8 827 927 C V H X S+ 0 0 6 -4,-0.9 4,-1.2 -5,-0.2 -1,-0.2 0.932 110.6 47.9 -57.4 -43.7 -35.7 25.7 37.3 828 928 C M H >< S+ 0 0 0 -4,-1.6 3,-0.9 1,-0.2 4,-0.5 0.954 111.2 49.3 -59.1 -52.0 -33.0 24.9 34.7 829 929 C V H >< S+ 0 0 41 -4,-2.8 3,-1.3 1,-0.3 -1,-0.2 0.843 103.9 60.3 -60.3 -34.0 -32.7 21.3 35.8 830 930 C K H >< S+ 0 0 94 -4,-2.7 3,-1.1 1,-0.3 -1,-0.3 0.850 101.0 55.3 -61.2 -33.5 -36.5 20.9 35.6 831 931 C C T << S+ 0 0 0 -4,-1.2 -1,-0.3 -3,-0.9 -2,-0.2 0.599 104.2 55.8 -72.1 -13.4 -36.3 21.8 31.9 832 932 C W T < S+ 0 0 3 -3,-1.3 -1,-0.2 -4,-0.5 2,-0.2 0.019 77.1 126.5-113.1 27.0 -33.9 19.0 31.4 833 933 C M < - 0 0 72 -3,-1.1 6,-0.1 2,-0.1 -54,-0.1 -0.596 63.6-128.5 -80.8 147.6 -36.0 16.2 32.7 834 934 C I S S+ 0 0 118 -2,-0.2 2,-1.2 1,-0.1 -69,-0.1 0.920 94.8 75.1 -62.3 -50.9 -36.6 13.2 30.5 835 935 C D S >> S- 0 0 92 1,-0.2 3,-1.4 2,-0.1 4,-0.6 -0.545 72.2-162.4 -67.4 98.5 -40.4 13.1 30.7 836 936 C A G >4 S+ 0 0 18 -2,-1.2 3,-1.0 1,-0.3 -1,-0.2 0.833 84.1 55.8 -56.5 -41.4 -41.0 16.1 28.4 837 937 C D G 34 S+ 0 0 126 1,-0.2 -1,-0.3 -3,-0.1 -2,-0.1 0.714 101.8 60.1 -63.5 -22.6 -44.7 16.7 29.6 838 938 C S G <4 S+ 0 0 68 -3,-1.4 -1,-0.2 2,-0.0 -2,-0.2 0.689 82.0 101.9 -76.6 -25.9 -43.4 17.0 33.2 839 939 C R S << S- 0 0 0 -3,-1.0 -8,-0.2 -4,-0.6 -9,-0.0 -0.265 88.6 -93.2 -56.9 148.7 -41.1 20.0 32.3 840 940 C P - 0 0 17 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 -0.257 42.2-117.6 -63.1 153.8 -42.5 23.4 33.4 841 941 C K > - 0 0 66 1,-0.1 4,-2.4 -3,-0.1 3,-0.4 -0.528 22.4-110.3 -87.8 161.4 -44.5 25.3 30.7 842 942 C F H > S+ 0 0 1 1,-0.2 4,-2.2 2,-0.2 -135,-0.2 0.883 121.5 57.2 -59.2 -37.8 -43.5 28.6 29.4 843 943 C K H > S+ 0 0 151 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.870 109.3 44.5 -56.0 -41.2 -46.4 30.1 31.2 844 944 C E H > S+ 0 0 107 -3,-0.4 4,-2.7 2,-0.2 -2,-0.2 0.850 111.4 53.1 -74.6 -35.9 -45.1 28.7 34.5 845 945 C L H X S+ 0 0 2 -4,-2.4 4,-2.5 2,-0.2 5,-0.2 0.852 107.3 51.8 -66.4 -37.4 -41.5 29.8 33.8 846 946 C A H X S+ 0 0 6 -4,-2.2 4,-1.9 -5,-0.2 -2,-0.2 0.942 113.5 44.0 -65.7 -46.5 -42.6 33.4 33.1 847 947 C A H X S+ 0 0 62 -4,-1.6 4,-2.3 2,-0.2 -2,-0.2 0.926 113.3 52.0 -61.2 -47.3 -44.5 33.5 36.5 848 948 C E H X S+ 0 0 53 -4,-2.7 4,-2.1 1,-0.2 -2,-0.2 0.960 114.2 40.6 -57.0 -54.3 -41.6 31.9 38.3 849 949 C F H X S+ 0 0 0 -4,-2.5 4,-2.2 1,-0.2 -1,-0.2 0.781 111.2 58.8 -69.2 -25.5 -39.0 34.3 37.0 850 950 C S H X S+ 0 0 46 -4,-1.9 4,-0.7 -5,-0.2 -1,-0.2 0.894 107.0 48.1 -61.0 -43.6 -41.5 37.2 37.5 851 951 C R H >< S+ 0 0 101 -4,-2.3 3,-0.9 1,-0.2 4,-0.3 0.931 114.4 44.8 -62.4 -47.8 -41.6 36.2 41.2 852 952 C M H >< S+ 0 0 0 -4,-2.1 3,-1.8 1,-0.2 6,-0.2 0.845 102.0 67.8 -65.5 -35.0 -37.8 36.0 41.5 853 953 C A H 3< S+ 0 0 17 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.776 89.7 66.2 -54.2 -27.7 -37.5 39.3 39.5 854 954 C R T << S+ 0 0 209 -3,-0.9 -1,-0.3 -4,-0.7 -2,-0.2 0.692 117.8 21.1 -69.6 -20.8 -39.1 41.0 42.6 855 955 C D S X> S+ 0 0 77 -3,-1.8 3,-1.6 -4,-0.3 4,-0.5 -0.526 75.6 171.4-145.6 71.2 -36.0 40.2 44.8 856 956 C P H >> S+ 0 0 7 0, 0.0 4,-2.0 0, 0.0 3,-1.3 0.812 73.5 56.1 -60.3 -39.9 -33.2 39.6 42.3 857 957 C Q H 34 S+ 0 0 97 1,-0.3 -4,-0.1 2,-0.2 -5,-0.0 0.617 99.0 63.4 -69.5 -16.6 -30.3 39.5 44.8 858 958 C R H <4 S+ 0 0 157 -3,-1.6 -1,-0.3 -6,-0.2 3,-0.1 0.745 114.5 31.6 -73.5 -24.2 -32.1 36.7 46.6 859 959 C Y H << S+ 0 0 7 -3,-1.3 -38,-1.8 -4,-0.5 2,-0.4 0.687 121.8 37.9-113.8 -24.9 -31.8 34.5 43.6 860 960 C L B < -G 820 0O 0 -4,-2.0 2,-0.7 -40,-0.2 -1,-0.3 -0.999 66.9-150.9-130.8 133.9 -28.6 35.4 41.7 861 961 C V + 0 0 98 -42,-2.9 2,-0.4 -2,-0.4 -4,-0.1 -0.878 24.4 167.3-111.7 102.0 -25.4 36.3 43.6 862 962 C I - 0 0 31 -2,-0.7 3,-0.2 1,-0.1 -170,-0.1 -0.970 35.9-136.9-121.2 130.6 -23.2 38.7 41.6 863 963 C Q S S+ 0 0 202 -2,-0.4 -1,-0.1 1,-0.2 -172,-0.1 0.820 100.1 51.0 -51.3 -43.9 -20.2 40.6 43.0 864 964 C G 0 0 67 1,-0.2 -1,-0.2 -174,-0.2 -173,-0.1 0.934 360.0 360.0 -61.4 -49.4 -21.0 44.0 41.4 865 965 C D 0 0 86 -3,-0.2 -1,-0.2 -175,-0.2 -2,-0.1 0.415 360.0 360.0 -28.9 360.0 -24.7 44.3 42.5