==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=12-JUL-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LIGASE 29-DEC-11 3VA7 . COMPND 2 MOLECULE: KLLA0E08119P; . SOURCE 2 ORGANISM_SCIENTIFIC: KLUYVEROMYCES LACTIS; . AUTHOR C.FAN,S.XIANG . 1130 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 44239.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 779 68.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 33 2.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 247 21.9 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 4 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 9 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 . 2 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 . 106 9.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 108 9.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 211 18.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 18 1.6 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 2 0 0 6 5 3 0 2 2 1 0 0 3 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 1 2 1 0 1 1 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 10 9 12 4 1 2 2 0 2 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 1 1 2 0 0 2 2 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 1 621 A K 0 0 241 0, 0.0 245,-0.0 0, 0.0 250,-0.0 0.000 360.0 360.0 360.0 22.5 -46.9 -18.8 -18.7 2 622 A K - 0 0 100 1,-0.1 3,-0.1 244,-0.0 25,-0.0 -0.935 360.0-163.3-110.0 106.4 -44.7 -21.5 -20.3 3 623 A P S S+ 0 0 22 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.832 70.8 2.5 -54.0 -40.4 -43.3 -19.8 -23.5 4 624 A F - 0 0 10 1,-0.1 3,-0.1 75,-0.0 25,-0.1 -0.964 56.3-144.2-151.5 155.1 -42.2 -23.1 -25.2 5 625 A E S S+ 0 0 99 1,-0.4 24,-2.8 -2,-0.3 2,-0.4 0.900 90.7 12.9 -95.5 -51.6 -42.5 -26.7 -24.4 6 626 A T E S-a 29 0A 10 22,-0.2 72,-1.7 70,-0.2 73,-0.8 -0.985 70.5-170.9-127.1 140.4 -39.2 -28.0 -25.8 7 627 A V E -ab 30 79A 0 22,-2.4 24,-1.9 -2,-0.4 2,-0.3 -0.998 12.4-143.8-131.6 131.0 -36.3 -25.6 -26.9 8 628 A L E -ab 31 80A 0 71,-2.9 73,-2.6 -2,-0.4 2,-0.7 -0.779 10.7-140.0 -95.9 142.7 -33.1 -26.5 -28.8 9 629 A I E - b 0 81A 0 22,-2.8 2,-2.1 -2,-0.3 24,-0.3 -0.894 2.8-157.7-104.5 111.9 -29.7 -24.8 -28.0 10 630 A A + 0 0 2 71,-2.0 77,-0.4 -2,-0.7 2,-0.3 -0.286 68.8 68.1 -79.1 54.5 -27.7 -24.1 -31.2 11 631 A N - 0 0 6 -2,-2.1 22,-0.6 22,-0.1 2,-0.2 -0.948 61.4-143.5-162.8 177.9 -24.6 -24.0 -29.1 12 632 A R > + 0 0 18 -2,-0.3 4,-1.7 20,-0.1 3,-0.3 -0.538 56.7 27.1-132.5-170.0 -21.9 -25.8 -26.9 13 633 A G H > S- 0 0 2 1,-0.2 4,-1.8 -2,-0.2 5,-0.1 -0.017 112.8 -13.8 54.1-140.3 -19.8 -25.1 -23.9 14 634 A E H > S+ 0 0 12 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.841 131.7 53.4 -79.0 -42.0 -20.7 -22.8 -21.1 15 635 A I H > S+ 0 0 3 -3,-0.3 4,-2.7 2,-0.2 5,-0.3 0.900 108.1 52.4 -61.1 -38.1 -23.5 -20.9 -22.7 16 636 A A H X S+ 0 0 0 -4,-1.7 4,-2.7 1,-0.2 -2,-0.2 0.974 111.1 47.0 -62.3 -47.5 -25.3 -24.1 -23.5 17 637 A V H X S+ 0 0 18 -4,-1.8 4,-1.2 1,-0.2 -2,-0.2 0.889 113.8 48.1 -59.7 -40.7 -25.0 -25.2 -19.8 18 638 A R H X S+ 0 0 10 -4,-2.7 4,-1.3 2,-0.2 3,-0.3 0.897 109.7 50.4 -71.4 -35.8 -26.2 -21.8 -18.6 19 639 A I H X S+ 0 0 1 -4,-2.7 4,-2.6 1,-0.2 3,-0.4 0.934 108.5 55.8 -67.6 -41.8 -29.2 -21.6 -21.0 20 640 A M H X S+ 0 0 6 -4,-2.7 4,-3.1 -5,-0.3 -1,-0.2 0.798 99.3 58.1 -60.5 -30.1 -30.2 -25.1 -19.8 21 641 A K H X S+ 0 0 147 -4,-1.2 4,-2.8 -3,-0.3 -1,-0.2 0.927 110.7 43.8 -65.3 -40.1 -30.3 -24.1 -16.1 22 642 A T H X S+ 0 0 5 -4,-1.3 4,-2.5 -3,-0.4 -2,-0.2 0.948 113.1 51.1 -69.3 -45.7 -32.9 -21.6 -16.9 23 643 A L H >X>S+ 0 0 0 -4,-2.6 5,-1.9 1,-0.2 4,-0.7 0.968 111.3 48.3 -56.6 -54.4 -34.7 -23.9 -19.1 24 644 A K H ><5S+ 0 0 175 -4,-3.1 3,-2.3 1,-0.2 -1,-0.2 0.917 110.2 50.7 -45.1 -56.9 -34.8 -26.6 -16.4 25 645 A R H 3<5S+ 0 0 148 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.836 110.5 51.7 -57.1 -30.3 -36.0 -24.0 -13.8 26 646 A M H <<5S- 0 0 31 -4,-2.5 -1,-0.3 -3,-0.6 -2,-0.2 0.513 113.6-117.9 -85.9 -4.5 -38.7 -23.1 -16.2 27 647 A G T <<5 + 0 0 47 -3,-2.3 2,-0.4 -4,-0.7 -3,-0.2 0.752 67.2 142.8 76.3 21.9 -39.9 -26.7 -16.7 28 648 A I < - 0 0 3 -5,-1.9 -1,-0.3 -6,-0.2 -22,-0.2 -0.848 54.0-120.6 -98.4 129.2 -39.0 -26.4 -20.4 29 649 A K E -a 6 0A 100 -24,-2.8 -22,-2.4 -2,-0.4 2,-0.3 -0.459 31.9-148.6 -74.1 139.5 -37.5 -29.5 -22.1 30 650 A S E -a 7 0A 5 -24,-0.2 19,-2.0 16,-0.1 18,-0.8 -0.841 9.3-153.5-114.6 150.9 -34.1 -28.8 -23.6 31 651 A V E -ac 8 49A 0 -24,-1.9 -22,-2.8 -2,-0.3 19,-0.2 -0.978 8.3-157.3-126.2 121.5 -32.3 -30.2 -26.5 32 652 A A E - c 0 50A 0 17,-2.8 19,-1.1 -2,-0.5 2,-0.3 -0.538 2.0-163.1 -81.9 156.1 -28.5 -30.4 -26.9 33 653 A V E - c 0 51A 0 -22,-0.6 2,-0.4 -24,-0.3 19,-0.2 -0.987 15.8-177.6-133.2 141.9 -26.5 -30.6 -30.1 34 654 A Y E - c 0 52A 41 17,-1.6 19,-2.6 -2,-0.3 5,-0.1 -0.993 25.2-137.6-143.5 146.0 -22.9 -31.7 -30.2 35 655 A S - 0 0 0 -2,-0.4 21,-0.2 17,-0.2 4,-0.2 -0.166 49.5 -92.2 -71.2-175.3 -19.9 -32.3 -32.5 36 656 A D S > S+ 0 0 46 19,-3.5 3,-1.5 1,-0.2 4,-0.2 0.932 125.4 50.1 -75.9 -43.0 -17.8 -35.4 -32.0 37 657 A P G > S+ 0 0 36 0, 0.0 3,-0.5 0, 0.0 -1,-0.2 0.819 112.1 53.1 -61.8 -23.7 -15.2 -34.0 -29.6 38 658 A D G > S+ 0 0 6 1,-0.2 3,-2.9 2,-0.1 6,-0.2 0.432 71.6 107.0 -88.2 3.3 -18.2 -32.6 -27.5 39 659 A K G < S+ 0 0 64 -3,-1.5 -1,-0.2 1,-0.3 -3,-0.1 0.758 85.8 43.9 -58.3 -18.3 -20.0 -35.9 -27.2 40 660 A Y G < S+ 0 0 40 -3,-0.5 -1,-0.3 -4,-0.2 -2,-0.1 0.235 88.4 127.1-106.0 14.7 -19.0 -36.0 -23.6 41 661 A S X> - 0 0 6 -3,-2.9 4,-1.8 1,-0.1 3,-1.7 -0.392 69.8-114.6 -85.2 151.9 -19.7 -32.4 -22.6 42 662 A Q H 3> S+ 0 0 41 259,-0.8 4,-3.5 1,-0.3 5,-0.2 0.832 114.8 57.9 -38.2 -46.0 -21.7 -31.1 -19.6 43 663 A H H 3> S+ 0 0 0 1,-0.2 4,-1.0 2,-0.2 -1,-0.3 0.804 105.2 49.8 -68.7 -26.0 -24.3 -29.6 -21.9 44 664 A V H <4 S+ 0 0 20 -3,-1.7 -1,-0.2 -6,-0.2 -2,-0.2 0.913 115.3 43.9 -73.0 -48.6 -25.0 -33.0 -23.5 45 665 A T H < S+ 0 0 67 -4,-1.8 -2,-0.2 1,-0.2 -3,-0.2 0.906 112.5 52.1 -54.2 -51.7 -25.4 -34.6 -20.1 46 666 A D H < S+ 0 0 69 -4,-3.5 -1,-0.2 -5,-0.2 -2,-0.2 0.776 93.6 91.1 -63.3 -29.2 -27.6 -31.7 -18.7 47 667 A A S < S- 0 0 14 -4,-1.0 -16,-0.1 -5,-0.2 3,-0.1 -0.220 74.3-135.9 -72.3 158.0 -30.1 -31.7 -21.6 48 668 A D S S+ 0 0 88 -18,-0.8 2,-0.3 1,-0.2 -17,-0.2 0.842 91.8 10.6 -75.8 -36.2 -33.3 -33.7 -21.7 49 669 A F E -c 31 0A 100 -19,-2.0 -17,-2.8 2,-0.0 2,-0.3 -0.902 69.9-166.7-136.8 167.1 -32.5 -34.8 -25.3 50 670 A S E -c 32 0A 55 -2,-0.3 2,-0.5 -19,-0.2 -17,-0.2 -0.997 11.0-152.5-156.4 153.7 -29.6 -34.5 -27.7 51 671 A V E -c 33 0A 17 -19,-1.1 -17,-1.6 -2,-0.3 2,-0.5 -0.995 18.7-136.2-135.7 120.9 -28.7 -34.9 -31.3 52 672 A A E -c 34 0A 25 -2,-0.5 2,-0.4 -19,-0.2 -17,-0.2 -0.680 13.5-162.2 -69.7 122.3 -25.3 -35.9 -32.5 53 673 A L - 0 0 5 -19,-2.6 2,-0.5 -2,-0.5 8,-0.1 -0.793 30.5-120.8 -90.8 151.6 -24.3 -33.8 -35.4 54 674 A H + 0 0 128 -2,-0.4 2,-0.2 6,-0.2 -19,-0.1 -0.860 64.1 41.5-108.2 131.9 -21.5 -35.7 -37.0 55 675 A G - 0 0 16 -2,-0.5 -19,-3.5 1,-0.1 -2,-0.1 -0.780 69.0-103.8 135.5-176.6 -18.0 -34.3 -37.4 56 676 A R S S+ 0 0 126 -2,-0.2 -21,-0.1 -21,-0.2 -1,-0.1 0.778 77.5 78.6-116.6 -48.3 -15.3 -32.3 -35.7 57 677 A T S > S- 0 0 48 1,-0.1 4,-1.2 4,-0.1 5,-0.3 -0.218 78.9-116.0 -78.1 158.5 -15.0 -28.8 -37.0 58 678 A A T 4>S+ 0 0 32 1,-0.2 5,-2.3 2,-0.2 3,-0.4 0.891 120.1 47.4 -46.6 -43.8 -17.1 -25.7 -36.3 59 679 A A T 45S+ 0 0 65 1,-0.2 -1,-0.2 3,-0.2 -2,-0.0 0.882 108.2 54.1 -72.0 -36.4 -18.1 -25.7 -40.0 60 680 A E T 45S+ 0 0 99 3,-0.1 -1,-0.2 2,-0.1 -6,-0.2 0.690 129.8 1.9 -65.8 -23.6 -18.9 -29.5 -40.1 61 681 A T T ><5S+ 0 0 0 -4,-1.2 3,-1.8 -3,-0.4 7,-0.3 0.535 126.5 36.5-132.9 -88.3 -21.3 -29.2 -37.1 62 682 A Y T 3 5S+ 0 0 0 -5,-0.3 25,-0.3 1,-0.3 -3,-0.2 0.812 121.7 46.7 -53.6 -31.1 -22.4 -26.1 -35.1 63 683 A L T 3 - 0 0 59 -3,-1.8 4,-2.0 -6,-0.3 3,-0.3 -0.691 52.7-168.0 -88.2 98.0 -24.3 -26.3 -40.5 65 685 A I H > S+ 0 0 30 -2,-1.2 4,-2.6 1,-0.2 5,-0.3 0.818 82.7 58.7 -52.5 -35.4 -27.7 -24.8 -40.6 66 686 A D H > S+ 0 0 99 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.950 107.5 44.1 -66.9 -48.2 -29.1 -27.9 -42.3 67 687 A K H > S+ 0 0 64 -3,-0.3 4,-3.2 2,-0.2 -1,-0.2 0.923 114.0 51.4 -56.5 -51.1 -28.1 -30.2 -39.5 68 688 A I H X S+ 0 0 0 -4,-2.0 4,-2.0 -7,-0.3 -2,-0.2 0.915 111.8 45.0 -54.4 -51.7 -29.3 -27.8 -36.8 69 689 A I H X S+ 0 0 6 -4,-2.6 4,-2.0 1,-0.2 -1,-0.2 0.876 113.7 50.0 -67.6 -37.5 -32.7 -27.3 -38.3 70 690 A N H X S+ 0 0 93 -4,-2.2 4,-3.3 -5,-0.3 -1,-0.2 0.908 107.9 55.7 -62.1 -42.6 -33.0 -31.1 -38.9 71 691 A A H X S+ 0 0 0 -4,-3.2 4,-1.0 1,-0.2 -2,-0.2 0.898 109.8 44.2 -55.8 -41.6 -32.0 -31.5 -35.2 72 692 A A H <>S+ 0 0 1 -4,-2.0 5,-3.1 2,-0.2 4,-0.2 0.823 114.8 50.2 -74.8 -33.5 -34.9 -29.3 -34.0 73 693 A K H ><5S+ 0 0 97 -4,-2.0 3,-2.1 3,-0.2 -2,-0.2 0.984 108.4 51.6 -58.7 -60.3 -37.3 -31.0 -36.4 74 694 A K H 3<5S+ 0 0 151 -4,-3.3 -2,-0.2 1,-0.3 -1,-0.2 0.686 117.7 38.1 -51.5 -29.4 -36.2 -34.5 -35.2 75 695 A T T 3<5S- 0 0 39 -4,-1.0 -1,-0.3 -5,-0.2 -2,-0.2 0.348 109.2-118.7-107.5 4.6 -36.8 -33.6 -31.5 76 696 A G T < 5 + 0 0 48 -3,-2.1 2,-0.4 -4,-0.2 -3,-0.2 0.884 46.8 175.4 51.6 47.0 -39.9 -31.4 -32.1 77 697 A A < - 0 0 6 -5,-3.1 -70,-0.2 1,-0.1 -1,-0.2 -0.667 23.9-159.9 -78.5 125.2 -38.4 -28.2 -30.7 78 698 A Q S S+ 0 0 77 -72,-1.7 25,-2.6 -2,-0.4 2,-0.3 0.792 74.2 24.2 -74.3 -19.3 -40.7 -25.2 -31.1 79 699 A A E -bd 7 103A 0 -73,-0.8 -71,-2.9 23,-0.2 2,-0.4 -0.944 62.0-145.8-143.8 153.9 -37.7 -22.8 -30.7 80 700 A I E -bd 8 104A 0 23,-1.8 25,-3.5 -2,-0.3 -71,-0.2 -0.994 8.7-164.6-122.1 128.6 -34.0 -22.5 -31.1 81 701 A I E -b 9 0A 1 -73,-2.6 -71,-2.0 -2,-0.4 25,-0.1 -0.979 5.1-166.1-114.5 127.7 -31.9 -20.3 -28.9 82 702 A P - 0 0 5 0, 0.0 2,-0.3 0, 0.0 6,-0.2 0.617 9.7-155.2 -93.3 -18.0 -28.5 -19.7 -30.4 83 703 A G - 0 0 4 5,-0.1 142,-0.7 -72,-0.1 2,-0.3 -0.653 48.2 -52.3 76.2-138.9 -26.3 -18.3 -27.6 84 704 A Y S S+ 0 0 22 -2,-0.3 2,-0.1 140,-0.1 3,-0.1 -0.948 107.4 29.0-136.0 155.3 -23.4 -16.2 -29.0 85 705 A G S > S+ 0 0 42 -2,-0.3 3,-1.9 1,-0.2 4,-0.1 -0.404 101.7 46.7 79.2-174.3 -20.8 -17.1 -31.6 86 706 A F G > S- 0 0 59 1,-0.3 3,-0.5 -2,-0.1 -1,-0.2 -0.033 129.1 -9.3 49.0-134.0 -21.9 -19.6 -34.3 87 707 A L G > S+ 0 0 2 -77,-0.4 3,-1.4 -25,-0.3 -1,-0.3 0.362 105.8 108.9 -80.1 12.4 -25.3 -19.1 -36.0 88 708 A S G < S+ 0 0 2 -3,-1.9 -1,-0.2 1,-0.3 -2,-0.1 0.900 88.6 22.3 -59.2 -55.1 -26.0 -16.4 -33.4 89 709 A E G < S+ 0 0 80 -3,-0.5 2,-0.7 -4,-0.1 -1,-0.3 -0.124 94.5 120.0-103.5 32.4 -25.8 -13.3 -35.7 90 710 A N <> - 0 0 50 -3,-1.4 4,-2.1 1,-0.1 5,-0.1 -0.888 44.6-167.2-102.6 110.6 -26.4 -15.2 -38.9 91 711 A A H > S+ 0 0 8 -2,-0.7 4,-2.6 2,-0.2 18,-0.1 0.737 84.3 59.9 -77.3 -27.6 -29.5 -13.8 -40.7 92 712 A D H > S+ 0 0 105 2,-0.2 4,-3.5 1,-0.2 -1,-0.2 0.974 110.3 47.5 -58.7 -49.0 -29.9 -16.6 -43.2 93 713 A F H > S+ 0 0 0 2,-0.2 4,-2.4 1,-0.2 -2,-0.2 0.930 109.2 50.1 -55.1 -50.5 -30.2 -18.8 -40.1 94 714 A S H X S+ 0 0 8 -4,-2.1 4,-2.0 1,-0.2 10,-0.3 0.944 115.2 46.0 -54.5 -42.8 -32.7 -16.5 -38.4 95 715 A D H X S+ 0 0 56 -4,-2.6 4,-3.3 2,-0.2 -2,-0.2 0.873 107.6 55.7 -66.1 -44.4 -34.7 -16.6 -41.7 96 716 A R H < S+ 0 0 56 -4,-3.5 4,-0.3 2,-0.2 -1,-0.2 0.891 107.4 51.4 -51.7 -46.0 -34.5 -20.4 -42.1 97 717 A C H ><>S+ 0 0 0 -4,-2.4 5,-2.2 -5,-0.2 3,-1.4 0.969 112.9 44.9 -56.1 -53.4 -36.0 -20.8 -38.6 98 718 A S H ><5S+ 0 0 94 -4,-2.0 3,-1.7 1,-0.3 -2,-0.2 0.934 111.9 49.7 -56.8 -49.3 -38.8 -18.5 -39.6 99 719 A Q T 3<5S+ 0 0 151 -4,-3.3 -1,-0.3 1,-0.3 -2,-0.2 0.452 114.0 50.5 -72.6 3.3 -39.4 -20.1 -43.0 100 720 A E T < 5S- 0 0 59 -3,-1.4 -1,-0.3 -4,-0.3 -2,-0.2 0.384 114.0-110.8-119.1 1.5 -39.5 -23.5 -41.1 101 721 A N T < 5S+ 0 0 150 -3,-1.7 2,-0.5 -4,-0.4 -3,-0.2 0.794 78.5 126.6 62.4 31.2 -42.0 -22.7 -38.3 102 722 A I < - 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0 0 79 -2,-0.3 4,-1.9 -149,-0.1 5,-0.2 -0.395 34.3-108.9 -73.4 154.9 -15.4 -57.5 -30.3 986 1676 A E H > S+ 0 0 56 1,-0.2 4,-1.9 2,-0.2 3,-0.3 0.941 121.5 45.5 -50.0 -51.2 -12.2 -55.4 -30.5 987 1677 A E H > S+ 0 0 144 1,-0.2 4,-1.2 2,-0.2 -1,-0.2 0.881 110.8 52.6 -65.3 -36.5 -14.1 -52.4 -32.0 988 1678 A E H > S+ 0 0 106 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.835 109.5 52.4 -64.4 -31.6 -17.0 -52.7 -29.5 989 1679 A L H X S+ 0 0 0 -4,-1.9 4,-2.3 -3,-0.3 -2,-0.2 0.797 104.0 53.9 -73.4 -36.2 -14.2 -52.7 -26.8 990 1680 A E H X S+ 0 0 48 -4,-1.9 4,-1.8 2,-0.2 -1,-0.2 0.809 107.6 52.1 -68.7 -25.4 -12.7 -49.5 -28.1 991 1681 A V H X S+ 0 0 87 -4,-1.2 4,-2.9 2,-0.2 5,-0.2 0.984 112.6 44.5 -70.1 -54.3 -16.1 -47.9 -27.8 992 1682 A I H X S+ 0 0 22 -4,-1.9 4,-2.7 1,-0.2 -2,-0.2 0.862 110.1 56.2 -52.5 -43.1 -16.5 -49.0 -24.2 993 1683 A I H X S+ 0 0 18 -4,-2.3 4,-2.0 2,-0.2 -1,-0.2 0.949 111.3 42.0 -60.9 -51.9 -12.9 -47.9 -23.4 994 1684 A E H X S+ 0 0 91 -4,-1.8 4,-0.7 1,-0.2 6,-0.2 0.935 115.4 50.8 -59.0 -46.4 -13.4 -44.3 -24.6 995 1685 A D H ><>S+ 0 0 42 -4,-2.9 5,-2.8 1,-0.2 3,-0.9 0.898 111.2 47.7 -58.5 -41.9 -16.8 -44.2 -23.0 996 1686 A N H ><5S+ 0 0 16 -4,-2.7 3,-1.3 1,-0.3 -1,-0.2 0.819 104.3 59.6 -73.6 -30.6 -15.4 -45.4 -19.6 997 1687 A D H 3<5S+ 0 0 60 -4,-2.0 -1,-0.3 1,-0.3 -2,-0.2 0.608 111.7 42.6 -68.1 -17.1 -12.5 -42.9 -19.7 998 1688 A N T <<5S- 0 0 28 -3,-0.9 -1,-0.3 -4,-0.7 -2,-0.2 0.111 119.5-110.1-114.6 13.6 -15.1 -40.2 -19.8 999 1689 A G T < 5S+ 0 0 15 -3,-1.3 -3,-0.2 1,-0.1 -4,-0.1 0.588 87.6 115.8 66.8 18.4 -17.3 -41.8 -17.2 1000 1690 A K < + 0 0 83 -5,-2.8 2,-0.5 -6,-0.2 -4,-0.3 0.115 51.5 90.0-100.4 16.3 -20.1 -42.7 -19.6 1001 1691 A F S S- 0 0 28 -6,-0.5 2,-1.2 -5,-0.2 -37,-0.8 -0.968 71.2-138.6-118.4 128.3 -19.8 -46.4 -19.3 1002 1692 A K B -x 964 0R 155 -2,-0.5 -37,-0.1 -39,-0.1 2,-0.1 -0.629 16.3-146.4 -92.3 94.4 -21.8 -48.2 -16.6 1003 1693 A I - 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0 0 28 -2,-0.6 3,-0.1 1,-0.1 -2,-0.1 -0.255 32.7 -99.0 -53.9 144.3 18.0 -69.0 -19.9 1049 1739 A N - 0 0 35 1,-0.1 -1,-0.1 -195,-0.0 3,-0.1 -0.284 51.0 -84.3 -62.2 154.4 17.6 -66.6 -22.8 1050 1740 A A - 0 0 79 1,-0.1 -1,-0.1 -3,-0.1 2,-0.1 -0.261 49.0 -98.7 -59.9 146.2 20.7 -66.1 -25.1 1051 1741 A E - 0 0 116 1,-0.1 -1,-0.1 -3,-0.1 3,-0.1 -0.448 47.8-100.1 -63.3 138.5 23.4 -63.6 -24.0 1052 1742 A L - 0 0 69 1,-0.1 -1,-0.1 -2,-0.1 2,-0.1 -0.153 49.9 -88.1 -50.8 154.7 23.0 -60.3 -25.8 1053 1743 A K - 0 0 140 66,-0.5 2,-0.3 -3,-0.1 -1,-0.1 -0.377 36.0-118.6 -64.9 143.7 25.4 -59.7 -28.8 1054 1744 A K 0 0 203 -3,-0.1 67,-0.1 1,-0.1 -1,-0.1 -0.700 360.0 360.0 -78.5 139.4 28.9 -58.2 -28.2 1055 1745 A S 0 0 103 -2,-0.3 -1,-0.1 65,-0.1 67,-0.1 -0.301 360.0 360.0 -57.9 360.0 29.2 -54.9 -30.1 1056 ! 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 1057 1754 A E 0 0 205 0, 0.0 2,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 148.1 34.9 -47.8 -43.8 1058 1755 A E - 0 0 169 0, 0.0 0, 0.0 0, 0.0 0, 0.0 -0.695 360.0-167.3 -97.9 138.3 34.7 -44.4 -45.6 1059 1756 A Y - 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