==== 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 HYDROLASE/PROTEIN BINDING 27-JAN-11 3QIS . COMPND 2 MOLECULE: INOSITOL POLYPHOSPHATE 5-PHOSPHATASE OCRL-1; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR M.PIRRUCCELLO,L.E.SWAN,E.FOLTA-STOGNIEW,P.DE CAMILLI . 306 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15340.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 210 68.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 9 2.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 35 11.4 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 . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 23 7.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 33 10.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 101 33.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 0.7 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 2 0 1 1 1 0 1 3 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 0 0 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 0 0 PARALLEL BRIDGES PER LADDER . 0 0 1 3 0 1 0 1 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 . 0 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 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 1 563 A P 0 0 70 0, 0.0 102,-0.5 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 97.2 -41.3 55.7 49.0 2 564 A S - 0 0 33 31,-0.4 29,-1.2 100,-0.1 28,-0.6 -0.996 360.0-158.0-138.5 143.7 -43.6 52.9 50.3 3 565 A L E -A 29 0A 5 -2,-0.4 2,-0.4 26,-0.2 26,-0.2 -0.919 6.1-154.9-119.3 147.5 -45.2 49.8 48.9 4 566 A E E -A 28 0A 114 24,-2.4 24,-2.5 -2,-0.4 2,-0.4 -0.980 16.5-158.4-113.6 131.4 -48.2 47.7 49.8 5 567 A L E -A 27 0A 9 -2,-0.4 22,-0.2 22,-0.2 3,-0.1 -0.929 20.0-145.6-114.9 132.2 -48.1 44.1 48.8 6 568 A S S S- 0 0 78 20,-2.2 2,-0.3 -2,-0.4 -1,-0.1 0.883 87.7 -10.8 -59.1 -38.3 -51.2 41.9 48.4 7 569 A R - 0 0 86 19,-0.2 -1,-0.2 -3,-0.1 3,-0.1 -0.982 46.9-163.0-157.7 162.1 -49.0 39.0 49.6 8 570 A R S S+ 0 0 107 -2,-0.3 100,-2.2 1,-0.1 2,-0.4 0.417 73.5 71.4-127.5 -7.3 -45.4 38.1 50.4 9 571 A E E -d 108 0B 148 98,-0.2 2,-0.4 100,-0.0 100,-0.2 -0.965 57.7-176.6-118.8 130.9 -45.4 34.3 50.6 10 572 A F E -d 109 0B 1 98,-2.4 100,-2.3 -2,-0.4 2,-0.5 -0.976 10.2-156.2-131.9 136.9 -45.9 32.1 47.4 11 573 A V E -d 110 0B 77 -2,-0.4 2,-0.7 98,-0.2 100,-0.3 -0.949 5.3-165.3-118.8 128.0 -46.2 28.4 47.1 12 574 A F E > -d 111 0B 0 98,-2.9 100,-1.9 -2,-0.5 3,-0.6 -0.852 22.0-163.3-111.4 93.3 -45.3 26.4 43.9 13 575 A E E 3 - 0 0 130 -2,-0.7 100,-0.1 98,-0.2 98,-0.0 -0.600 61.8 -3.0 -88.7 133.8 -46.9 23.0 44.6 14 576 A N E 3 S- 0 0 78 -2,-0.3 -1,-0.2 1,-0.2 99,-0.2 0.915 79.4-163.0 56.6 50.3 -46.0 19.9 42.6 15 577 A V E < -d 113 0B 0 97,-3.2 99,-3.1 -3,-0.6 2,-0.3 -0.426 8.2-164.8 -65.6 134.0 -43.6 21.6 40.2 16 578 A K > - 0 0 46 3,-0.4 3,-1.8 97,-0.2 60,-0.6 -0.877 29.9 -85.0-124.0 154.9 -42.8 19.6 37.1 17 579 A F B 3 S-h 76 0C 6 97,-0.5 60,-0.2 -2,-0.3 3,-0.1 -0.353 112.1 -3.7 -53.3 122.9 -40.3 19.6 34.3 18 580 A R T 3 S+ 0 0 38 58,-2.9 2,-0.6 1,-0.2 -1,-0.3 0.673 99.6 125.4 66.3 19.6 -41.3 22.0 31.6 19 581 A Q < - 0 0 44 -3,-1.8 -3,-0.4 57,-0.1 57,-0.3 -0.931 55.3-136.5-114.9 112.2 -44.7 22.9 33.2 20 582 A L - 0 0 95 -2,-0.6 2,-0.4 55,-0.1 55,-0.2 -0.379 21.7-176.5 -71.4 135.4 -45.2 26.6 33.8 21 583 A Q E - B 0 74A 46 53,-2.2 53,-2.4 -2,-0.1 2,-0.4 -0.975 5.9-163.1-125.5 147.2 -46.7 27.9 37.0 22 584 A K E - B 0 73A 102 -2,-0.4 2,-0.6 51,-0.2 51,-0.2 -0.986 8.6-172.3-133.3 126.6 -47.5 31.5 37.8 23 585 A E E - B 0 72A 48 49,-2.7 49,-2.6 -2,-0.4 2,-0.3 -0.963 21.0-162.8-112.6 112.4 -48.1 33.1 41.2 24 586 A K E + B 0 71A 108 -2,-0.6 2,-0.3 47,-0.2 47,-0.2 -0.704 13.9 170.9-101.5 145.4 -49.4 36.6 40.9 25 587 A F E - B 0 70A 3 45,-2.5 45,-3.7 -2,-0.3 2,-0.5 -0.962 27.4-117.2-143.7 165.1 -49.5 39.5 43.4 26 588 A Q E - B 0 69A 78 -2,-0.3 -20,-2.2 43,-0.3 2,-0.4 -0.896 15.6-160.2-111.2 133.0 -50.3 43.2 43.4 27 589 A I E -AB 5 68A 0 41,-3.3 41,-2.6 -2,-0.5 2,-0.4 -0.900 11.8-174.8-105.2 133.0 -47.9 46.0 44.3 28 590 A S E -AB 4 67A 21 -24,-2.5 -24,-2.4 -2,-0.4 2,-1.2 -0.973 26.4-131.8-134.6 122.1 -49.4 49.3 45.2 29 591 A N E +A 3 0A 0 37,-1.8 36,-0.7 -2,-0.4 -26,-0.2 -0.555 31.4 170.5 -69.8 97.0 -47.4 52.5 46.0 30 592 A N + 0 0 67 -2,-1.2 -27,-0.2 -28,-0.6 -1,-0.2 0.364 45.5 99.6 -91.6 5.4 -49.1 53.6 49.2 31 593 A G S S- 0 0 9 -29,-1.2 4,-0.1 2,-0.2 34,-0.0 -0.012 81.9-116.8 -76.7-171.5 -46.5 56.3 49.8 32 594 A Q S S+ 0 0 174 2,-0.1 -1,-0.1 32,-0.1 -3,-0.0 0.611 94.4 51.7-104.1 -17.7 -46.9 60.0 49.1 33 595 A V S S- 0 0 69 30,-0.1 -31,-0.4 1,-0.1 -2,-0.2 -0.809 96.6 -90.1-115.7 158.9 -44.1 60.3 46.5 34 596 A P - 0 0 73 0, 0.0 2,-0.3 0, 0.0 29,-0.2 -0.368 46.5-159.3 -64.9 146.0 -43.4 58.2 43.4 35 597 A C E -E 62 0B 8 27,-2.3 27,-2.3 -33,-0.1 2,-0.5 -0.877 16.6-140.3-128.7 157.1 -41.2 55.1 43.8 36 598 A H E -E 61 0B 24 64,-0.3 64,-3.3 -2,-0.3 2,-0.4 -0.982 22.1-170.0-116.0 128.9 -39.0 52.8 41.8 37 599 A F E +EF 60 99B 3 23,-2.3 23,-2.6 -2,-0.5 2,-0.3 -0.919 12.1 159.8-117.3 142.3 -39.0 49.1 42.5 38 600 A S E -EF 59 98B 17 60,-2.1 60,-2.9 -2,-0.4 2,-0.3 -0.972 39.8-111.8-155.6 147.6 -36.8 46.4 41.3 39 601 A F E - F 0 97B 12 19,-2.4 58,-0.2 -2,-0.3 9,-0.1 -0.603 40.3-163.7 -76.3 138.6 -35.8 42.9 42.3 40 602 A I E - F 0 96B 43 56,-2.3 56,-0.6 -2,-0.3 2,-0.1 -0.895 23.0 -98.0-127.9 154.0 -32.1 42.7 43.4 41 603 A P - 0 0 59 0, 0.0 7,-0.2 0, 0.0 3,-0.2 -0.449 42.5-112.3 -67.3 141.2 -29.5 40.0 43.9 42 604 A K > - 0 0 50 5,-0.5 3,-1.4 1,-0.2 5,-0.0 -0.479 65.8 -54.5 -71.1 148.2 -29.1 38.8 47.5 43 605 A L T 3 S+ 0 0 168 1,-0.2 -1,-0.2 -2,-0.1 0, 0.0 0.117 127.9 1.4 -35.5 103.2 -25.6 39.7 49.0 44 606 A N T 3 S+ 0 0 175 1,-0.3 2,-0.2 -3,-0.2 -1,-0.2 0.696 100.7 120.1 89.9 25.5 -23.0 38.4 46.6 45 607 A D < - 0 0 94 -3,-1.4 -1,-0.3 1,-0.1 3,-0.1 -0.723 58.7-139.8-110.0 167.7 -25.1 36.8 43.9 46 608 A S S S+ 0 0 96 -2,-0.2 2,-0.2 3,-0.1 -1,-0.1 0.867 85.6 36.6 -87.8 -44.4 -25.3 37.5 40.2 47 609 A Q S S- 0 0 123 2,-0.1 -5,-0.5 -7,-0.1 -7,-0.1 -0.614 75.1-125.9-110.3 165.3 -29.1 37.2 39.8 48 610 A Y S S+ 0 0 38 -7,-0.2 48,-0.4 -2,-0.2 2,-0.3 0.549 93.3 8.9 -87.7 -8.9 -32.1 38.1 42.0 49 611 A C S S- 0 0 17 4,-0.1 -2,-0.1 46,-0.1 -3,-0.1 -0.933 90.8 -78.8-153.9 177.0 -33.5 34.6 41.8 50 612 A K > - 0 0 58 -2,-0.3 3,-2.0 1,-0.1 -2,-0.1 -0.428 50.1-100.6 -81.4 161.1 -32.6 31.1 40.6 51 613 A P T 3 S+ 0 0 103 0, 0.0 24,-0.1 0, 0.0 -1,-0.1 0.790 118.4 57.6 -51.2 -40.4 -32.9 30.1 36.9 52 614 A W T 3 S+ 0 0 3 22,-0.1 23,-2.9 24,-0.1 2,-0.3 0.483 103.4 66.2 -75.7 -1.8 -36.3 28.3 37.3 53 615 A L E < +C 74 0A 7 -3,-2.0 2,-0.3 21,-0.2 21,-0.2 -0.874 57.3 173.0-120.4 153.0 -37.9 31.4 38.6 54 616 A R E -C 73 0A 118 19,-1.5 19,-3.2 -2,-0.3 2,-0.5 -0.980 23.3-137.7-155.4 145.2 -38.6 34.8 37.0 55 617 A A E -C 72 0A 0 -2,-0.3 17,-0.2 17,-0.2 3,-0.2 -0.913 22.9-135.6-105.9 132.8 -40.4 38.0 38.0 56 618 A E E S+C 71 0A 88 15,-2.4 15,-2.8 -2,-0.5 2,-0.1 -0.922 95.9 12.8-136.3 108.2 -42.6 39.7 35.4 57 619 A P S S- 0 0 39 0, 0.0 -1,-0.4 0, 0.0 14,-0.1 0.666 78.6-175.1 -79.7 170.3 -42.1 42.6 35.5 58 620 A F + 0 0 95 1,-0.2 -19,-2.4 -3,-0.2 2,-0.3 0.484 69.6 21.8-106.3 -5.1 -39.0 42.7 37.6 59 621 A E E +E 38 0B 102 -21,-0.2 2,-0.3 -4,-0.1 -21,-0.2 -0.989 68.8 141.0-155.4 152.5 -38.7 46.5 37.8 60 622 A G E -E 37 0B 15 -23,-2.6 -23,-2.3 -2,-0.3 2,-0.4 -0.997 40.2 -99.6-175.7 178.0 -40.9 49.5 37.4 61 623 A Y E -E 36 0B 179 -2,-0.3 2,-0.4 -25,-0.2 -25,-0.2 -0.930 28.3-171.5-115.4 138.8 -42.2 53.0 38.3 62 624 A L E -E 35 0B 3 -27,-2.3 -27,-2.3 -2,-0.4 6,-0.0 -0.954 10.8-152.7-135.8 115.1 -45.2 53.7 40.4 63 625 A E > - 0 0 118 -2,-0.4 3,-2.6 -29,-0.2 2,-0.6 -0.385 56.7 -56.8 -66.9 157.2 -46.8 57.0 41.0 64 626 A P T 3 S- 0 0 46 0, 0.0 -34,-0.1 0, 0.0 -1,-0.1 -0.758 123.4 -4.9 -77.6 121.8 -48.8 57.4 44.3 65 627 A N T 3 S+ 0 0 103 -36,-0.7 2,-0.1 -2,-0.6 -35,-0.1 -0.400 87.2 128.6-131.8 74.4 -50.7 55.3 44.2 66 628 A E < - 0 0 95 -3,-2.6 -37,-1.8 -38,-0.1 2,-0.3 -0.387 44.7-135.6 -75.1 160.4 -50.9 53.2 41.0 67 629 A T E -B 28 0A 67 -39,-0.2 2,-0.3 -2,-0.1 -39,-0.2 -0.765 15.3-166.6-116.1 159.8 -50.9 49.5 41.3 68 630 A V E -B 27 0A 38 -41,-2.6 -41,-3.3 -2,-0.3 2,-0.4 -0.977 18.6-130.6-148.6 132.7 -49.0 46.9 39.3 69 631 A D E -B 26 0A 93 -2,-0.3 2,-0.5 -43,-0.2 -43,-0.3 -0.722 20.4-156.4 -84.7 129.9 -49.4 43.1 39.1 70 632 A I E -B 25 0A 0 -45,-3.7 -45,-2.5 -2,-0.4 2,-0.6 -0.912 3.0-151.1-107.0 131.0 -46.2 41.1 39.5 71 633 A S E -BC 24 56A 7 -15,-2.8 -15,-2.4 -2,-0.5 2,-0.8 -0.897 1.3-159.2-103.5 117.3 -46.1 37.6 38.1 72 634 A L E -BC 23 55A 0 -49,-2.6 -49,-2.7 -2,-0.6 2,-0.5 -0.868 21.3-164.4 -92.8 108.4 -43.7 35.2 39.8 73 635 A D E -BC 22 54A 6 -19,-3.2 -19,-1.5 -2,-0.8 2,-0.5 -0.837 12.9-164.3-106.9 125.2 -43.2 32.5 37.2 74 636 A V E +BC 21 53A 0 -53,-2.4 -53,-2.2 -2,-0.5 2,-0.3 -0.926 17.1 162.9-107.9 123.8 -41.7 29.1 37.8 75 637 A Y - 0 0 81 -23,-2.9 2,-0.9 -2,-0.5 -55,-0.1 -0.830 24.5-154.5-143.0 104.5 -40.4 27.1 34.8 76 638 A V B +h 17 0C 0 -60,-0.6 -58,-2.9 -57,-0.3 2,-0.1 -0.666 27.3 174.1 -78.5 106.3 -38.1 24.2 35.1 77 639 A S >> - 0 0 28 -2,-0.9 4,-2.0 -60,-0.2 3,-1.5 -0.398 52.8 -79.2-100.4-175.3 -36.2 23.9 31.9 78 640 A K T 34 S+ 0 0 100 1,-0.3 4,-0.4 2,-0.2 -2,-0.1 0.652 125.2 66.4 -59.9 -15.7 -33.3 21.7 30.8 79 641 A D T 34 S+ 0 0 123 1,-0.1 -1,-0.3 2,-0.1 4,-0.2 0.831 116.9 20.3 -74.2 -32.6 -31.0 24.0 32.7 80 642 A S T <> S+ 0 0 2 -3,-1.5 4,-2.0 2,-0.1 3,-0.3 0.581 95.9 94.2-112.4 -15.7 -32.4 23.1 36.1 81 643 A V H X S+ 0 0 0 -4,-2.0 4,-2.6 1,-0.2 35,-0.2 0.848 87.2 49.0 -53.7 -41.6 -34.2 19.8 35.7 82 644 A T H > S+ 0 0 37 -4,-0.4 4,-2.3 2,-0.2 6,-0.2 0.897 110.8 47.4 -69.9 -41.8 -31.2 17.6 36.8 83 645 A I H >>S+ 0 0 62 -3,-0.3 6,-1.8 2,-0.2 5,-1.4 0.842 116.7 45.0 -68.9 -31.5 -30.4 19.5 40.0 84 646 A L H <5S+ 0 0 3 -4,-2.0 -2,-0.2 2,-0.2 -1,-0.2 0.859 112.0 52.1 -77.3 -37.6 -34.0 19.5 41.0 85 647 A N H <5S+ 0 0 25 -4,-2.6 -2,-0.2 -5,-0.3 -3,-0.2 0.906 114.7 44.2 -56.1 -42.9 -34.3 15.8 40.0 86 648 A S H <5S- 0 0 76 -4,-2.3 -2,-0.2 -5,-0.2 -1,-0.2 0.716 109.2-120.8 -78.4 -25.2 -31.3 15.2 42.2 87 649 A G T <5S+ 0 0 34 -4,-1.1 -3,-0.2 2,-0.2 -4,-0.1 0.513 79.1 123.8 87.9 7.0 -32.3 17.3 45.2 88 650 A E S -F 37 0B 0 4,-2.2 3,-0.8 -2,-0.5 -62,-0.2 -0.819 37.0-111.4 -84.3 119.7 -37.4 50.4 46.6 100 662 A D T 3 S+ 0 0 72 -64,-3.3 -64,-0.3 -2,-0.6 3,-0.1 -0.347 103.9 0.2 -51.0 115.9 -34.9 52.8 45.1 101 663 A R T 3 S+ 0 0 230 1,-0.2 -1,-0.3 -2,-0.2 2,-0.3 0.992 130.9 57.7 60.9 63.7 -33.8 54.7 48.2 102 664 A G S < S- 0 0 43 -3,-0.8 -1,-0.2 1,-0.1 -100,-0.1 -0.899 85.5 -14.7-178.0-153.2 -36.0 52.8 50.5 103 665 A K - 0 0 124 -102,-0.5 -4,-2.2 -2,-0.3 2,-0.4 -0.273 46.9-131.2 -74.2 159.0 -37.2 49.6 52.1 104 666 A D E - G 0 98B 70 -6,-0.2 2,-0.5 -2,-0.0 -6,-0.2 -0.936 15.3-151.7-107.3 138.2 -36.6 46.1 51.0 105 667 A Y E - G 0 97B 24 -8,-3.2 -8,-2.8 -2,-0.4 2,-0.6 -0.952 9.5-146.6-111.4 123.4 -39.5 43.7 50.8 106 668 A F E - G 0 96B 125 -2,-0.5 2,-0.5 -10,-0.2 -10,-0.2 -0.788 11.7-168.4 -96.2 120.4 -38.8 40.0 51.3 107 669 A L E - G 0 95B 0 -12,-2.8 -12,-2.8 -2,-0.6 2,-0.5 -0.921 12.3-145.3-107.8 126.8 -40.8 37.5 49.3 108 670 A T E -dG 9 94B 44 -100,-2.2 -98,-2.4 -2,-0.5 2,-0.5 -0.804 8.6-159.8 -98.6 128.8 -40.5 33.9 50.3 109 671 A I E +dG 10 93B 5 -16,-3.1 -16,-1.9 -2,-0.5 2,-0.3 -0.910 22.9 155.5-107.0 123.6 -40.7 31.2 47.6 110 672 A S E +d 11 0B 55 -100,-2.3 -98,-2.9 -2,-0.5 2,-0.3 -0.871 9.6 103.3-138.7 174.4 -41.6 27.6 48.7 111 673 A G E -d 12 0B 33 -2,-0.3 2,-0.3 -100,-0.3 -98,-0.2 -0.987 54.5 -78.7 150.8-156.3 -43.0 24.5 47.2 112 674 A N E - 0 0 62 -100,-1.9 -97,-3.2 -2,-0.3 2,-0.4 -0.998 23.1-138.7-151.2 146.0 -42.0 21.0 45.9 113 675 A Y E -d 15 0B 19 -2,-0.3 -97,-0.2 -99,-0.2 -99,-0.1 -0.818 9.5-145.3-106.2 140.9 -40.5 19.5 42.8 114 676 A L - 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0 0 5 -4,-0.7 -83,-0.1 -3,-0.7 -86,-0.1 -0.312 60.1-145.0 -57.8 126.7 -29.7 14.4 29.3 205 799 A P S S+ 0 0 41 0, 0.0 -1,-0.2 0, 0.0 -84,-0.1 0.876 98.1 33.7 -60.5 -34.9 -27.3 15.6 32.0 206 800 A E S S- 0 0 65 -86,-0.1 -84,-0.3 4,-0.1 4,-0.1 -0.983 98.4-125.1-120.6 120.4 -24.7 13.6 30.1 207 801 A P - 0 0 0 0, 0.0 67,-0.1 0, 0.0 4,-0.1 -0.079 29.0-102.8 -59.1 160.6 -25.1 13.5 26.3 208 802 A V S S+ 0 0 0 65,-0.4 2,-0.9 1,-0.2 34,-0.2 0.925 122.8 49.3 -51.7 -47.1 -25.3 10.2 24.4 209 803 A I S S- 0 0 0 65,-2.2 67,-0.4 25,-0.1 -1,-0.2 -0.837 107.2-121.1 -93.9 103.2 -21.7 10.9 23.4 210 804 A C >> - 0 0 10 -2,-0.9 4,-0.8 -4,-0.1 3,-0.6 0.091 18.7-112.6 -42.8 152.1 -20.0 11.8 26.7 211 805 A Y H >> S+ 0 0 70 1,-0.2 3,-0.7 2,-0.2 4,-0.6 0.867 112.4 53.1 -57.6 -44.2 -18.3 15.3 26.9 212 806 A E H 34 S+ 0 0 157 1,-0.3 4,-0.4 2,-0.2 -1,-0.2 0.761 108.6 49.7 -68.7 -26.2 -14.7 14.1 27.1 213 807 A L H <> S+ 0 0 10 -3,-0.6 4,-2.3 1,-0.2 -1,-0.3 0.638 89.8 88.4 -83.2 -14.5 -15.0 11.9 23.9 214 808 A Y H S+ 0 0 147 -4,-0.4 4,-2.5 2,-0.2 -1,-0.2 0.868 104.5 57.3 -65.4 -35.6 -11.9 13.0 19.9 217 811 A C H X S+ 0 0 0 -4,-2.3 4,-0.6 1,-0.2 -2,-0.2 0.937 107.5 46.6 -57.5 -51.4 -15.0 12.4 17.8 218 812 A L H >< S+ 0 0 0 -4,-1.7 3,-0.8 2,-0.2 -2,-0.2 0.907 113.3 47.7 -56.8 -48.4 -14.4 15.6 15.8 219 813 A D H >< S+ 0 0 93 -4,-2.0 3,-0.5 1,-0.2 -1,-0.2 0.922 117.0 43.1 -60.9 -43.6 -10.7 14.8 15.2 220 814 A S H >< S+ 0 0 13 -4,-2.5 3,-2.8 1,-0.2 7,-0.3 0.513 82.1 114.9 -79.1 -4.4 -11.5 11.3 14.1 221 815 A A T << S+ 0 0 4 -3,-0.8 -1,-0.2 -4,-0.6 71,-0.2 0.649 74.1 47.8 -45.5 -27.9 -14.5 12.5 12.0 222 816 A Y T < S+ 0 0 120 -3,-0.5 -1,-0.3 -4,-0.2 -2,-0.1 0.465 97.6 71.3-101.0 -1.1 -13.0 11.4 8.7 223 817 A D X> - 0 0 62 -3,-2.8 4,-2.4 1,-0.1 3,-1.4 -0.856 60.1-164.7-119.7 99.9 -11.9 7.8 9.5 224 818 A P H 3> S+ 0 0 76 0, 0.0 4,-1.8 0, 0.0 -1,-0.1 0.748 92.1 53.3 -48.0 -37.6 -14.9 5.4 9.9 225 819 A R H 3> S+ 0 0 183 1,-0.2 4,-0.7 2,-0.2 -5,-0.0 0.831 113.8 44.0 -68.3 -32.9 -12.7 2.8 11.6 226 820 A I H <> S+ 0 0 57 -3,-1.4 4,-1.9 -6,-0.2 -1,-0.2 0.815 109.2 54.8 -82.6 -33.9 -11.5 5.4 14.1 227 821 A C H X S+ 0 0 4 -4,-2.4 4,-1.7 -7,-0.3 -2,-0.2 0.948 107.5 50.9 -61.8 -46.9 -15.0 6.9 14.7 228 822 A R H X S+ 0 0 158 -4,-1.8 4,-1.1 1,-0.2 -1,-0.2 0.809 108.6 52.7 -59.7 -32.0 -16.3 3.5 15.6 229 823 A Q H X S+ 0 0 97 -4,-0.7 4,-0.8 2,-0.2 -1,-0.2 0.854 104.1 54.0 -77.5 -36.0 -13.5 3.0 18.1 230 824 A V H >< S+ 0 0 8 -4,-1.9 3,-0.8 1,-0.2 4,-0.4 0.891 107.3 53.5 -58.9 -39.8 -14.2 6.3 19.8 231 825 A I H >< S+ 0 0 4 -4,-1.7 3,-1.2 1,-0.2 -2,-0.2 0.838 99.8 61.5 -64.0 -33.3 -17.7 5.0 20.3 232 826 A S H 3< S+ 0 0 63 -4,-1.1 -1,-0.2 1,-0.2 -2,-0.2 0.764 94.5 63.9 -64.7 -24.8 -16.3 1.9 21.9 233 827 A Q T << S+ 0 0 119 -3,-0.8 -1,-0.2 -4,-0.8 -2,-0.2 0.702 82.3 100.1 -74.1 -20.7 -14.8 4.1 24.6 234 828 A L S < S- 0 0 3 -3,-1.2 -25,-0.1 -4,-0.4 -26,-0.0 -0.216 88.4 -93.0 -60.6 154.1 -18.3 5.2 25.8 235 829 A P >> - 0 0 45 0, 0.0 4,-2.6 0, 0.0 3,-0.8 -0.352 46.8 -99.1 -62.3 155.0 -19.8 3.5 28.9 236 830 A R H 3> S+ 0 0 160 1,-0.3 4,-2.5 2,-0.2 5,-0.2 0.864 121.6 48.1 -48.0 -49.0 -22.0 0.5 28.0 237 831 A C H 3> S+ 0 0 15 1,-0.2 4,-1.9 2,-0.2 -1,-0.3 0.828 113.4 47.1 -67.3 -32.2 -25.3 2.4 28.3 238 832 A H H <> S+ 0 0 3 -3,-0.8 4,-2.5 2,-0.2 -1,-0.2 0.913 112.8 49.2 -71.7 -44.5 -24.1 5.4 26.2 239 833 A R H X S+ 0 0 43 -4,-2.6 4,-2.4 1,-0.2 -2,-0.2 0.895 113.2 48.1 -57.9 -43.8 -22.7 3.0 23.5 240 834 A N H X S+ 0 0 11 -4,-2.5 4,-2.8 -5,-0.3 -1,-0.2 0.897 111.4 48.1 -67.2 -42.9 -25.9 1.1 23.5 241 835 A V H X S+ 0 0 0 -4,-1.9 4,-2.6 2,-0.2 5,-0.2 0.893 112.8 49.5 -65.9 -40.2 -28.1 4.2 23.2 242 836 A F H X S+ 0 0 1 -4,-2.5 4,-2.5 2,-0.2 -2,-0.2 0.943 115.0 42.6 -63.7 -48.0 -26.0 5.6 20.4 243 837 A R H X S+ 0 0 116 -4,-2.4 4,-2.2 2,-0.2 -2,-0.2 0.905 113.6 53.5 -64.5 -43.3 -26.0 2.3 18.4 244 838 A Y H X S+ 0 0 0 -4,-2.8 4,-2.2 2,-0.2 -2,-0.2 0.939 112.2 43.8 -53.6 -52.5 -29.7 1.9 19.1 245 839 A L H X S+ 0 0 0 -4,-2.6 4,-3.1 1,-0.2 5,-0.2 0.887 111.3 52.5 -66.5 -42.0 -30.5 5.4 17.8 246 840 A M H X S+ 0 0 4 -4,-2.5 4,-1.9 1,-0.2 -1,-0.2 0.887 111.4 48.2 -59.8 -39.1 -28.3 5.1 14.7 247 841 A A H X S+ 0 0 11 -4,-2.2 4,-1.7 2,-0.2 -2,-0.2 0.898 112.2 49.3 -67.5 -40.8 -30.1 1.8 13.9 248 842 A F H X S+ 0 0 0 -4,-2.2 4,-2.1 2,-0.2 -2,-0.2 0.942 111.1 48.6 -62.6 -48.8 -33.5 3.5 14.4 249 843 A L H X S+ 0 0 0 -4,-3.1 4,-1.8 1,-0.2 -1,-0.2 0.863 110.1 51.6 -63.1 -36.5 -32.6 6.5 12.2 250 844 A R H X S+ 0 0 109 -4,-1.9 4,-0.7 -5,-0.2 -1,-0.2 0.850 107.6 54.0 -66.7 -34.4 -31.3 4.1 9.5 251 845 A E H >< S+ 0 0 22 -4,-1.7 3,-0.8 1,-0.2 4,-0.4 0.926 108.7 48.2 -63.0 -44.1 -34.6 2.3 9.7 252 846 A L H >< S+ 0 0 0 -4,-2.1 3,-1.6 1,-0.2 7,-0.2 0.830 100.9 64.8 -66.0 -34.1 -36.5 5.6 9.2 253 847 A L H >< S+ 0 0 37 -4,-1.8 3,-1.2 1,-0.3 -1,-0.2 0.766 91.4 65.7 -61.1 -25.7 -34.3 6.5 6.2 254 848 A K T << S+ 0 0 133 -3,-0.8 -1,-0.3 -4,-0.7 3,-0.2 0.753 105.0 43.6 -65.3 -26.5 -35.8 3.5 4.4 255 849 A F T X> S+ 0 0 49 -3,-1.6 3,-2.8 -4,-0.4 4,-2.3 0.100 74.7 126.5-106.2 19.7 -39.2 5.1 4.4 256 850 A S H <> + 0 0 51 -3,-1.2 4,-2.3 1,-0.3 -1,-0.2 0.804 64.1 65.8 -48.2 -38.1 -37.9 8.6 3.4 257 851 A E H 34 S+ 0 0 161 -3,-0.2 -1,-0.3 1,-0.2 -2,-0.1 0.708 116.4 28.9 -61.5 -17.5 -40.4 8.8 0.5 258 852 A Y H <4 S+ 0 0 124 -3,-2.8 -98,-0.3 -102,-0.2 -2,-0.2 0.784 129.5 34.6-107.3 -43.8 -43.1 8.9 3.1 259 853 A N H < S- 0 0 0 -4,-2.3 -98,-0.8 -103,-0.3 -3,-0.2 0.454 92.1-132.8 -96.7 -1.2 -41.6 10.5 6.2 260 854 A S < + 0 0 53 -4,-2.3 2,-0.9 -5,-0.4 5,-0.2 0.578 53.1 150.7 61.1 9.5 -39.3 12.9 4.4 261 855 A V + 0 0 0 -9,-0.2 2,-0.2 -6,-0.1 -1,-0.2 -0.647 18.7 169.6 -75.8 105.3 -36.5 11.9 6.8 262 856 A N > - 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