==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=8-APR-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSCRIPTION 29-NOV-11 3UV4 . COMPND 2 MOLECULE: SECOND BROMODOMAIN OF HUMAN TRANSCRIPTION INITIAT . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR P.FILIPPAKOPOULOS,S.PICAUD,T.KEATES,E.UGOCHUKWU,F.VON DELF, . 251 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13586.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 187 74.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 0 0.0 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 . 7 2.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 25 10.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 142 56.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 9 3.6 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 2 0 0 0 0 2 0 0 0 0 1 0 3 0 1 3 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 PARALLEL BRIDGES PER LADDER . 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 0 ANTIPARALLEL BRIDGES PER LADDER . 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 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 1520 A S 0 0 67 0, 0.0 61,-0.1 0, 0.0 62,-0.0 0.000 360.0 360.0 360.0 -63.4 11.2 -16.1 37.8 2 1521 A M + 0 0 183 4,-0.1 5,-0.0 5,-0.0 60,-0.0 0.791 360.0 102.7 -75.3 -24.2 10.5 -19.1 35.6 3 1522 A D S > S- 0 0 67 1,-0.1 4,-2.1 4,-0.1 3,-0.4 -0.219 82.9-121.3 -64.7 148.9 8.4 -20.6 38.5 4 1523 A D H > S+ 0 0 133 1,-0.2 4,-3.1 2,-0.2 5,-0.2 0.821 108.2 59.0 -65.8 -32.1 4.7 -20.4 38.2 5 1524 A D H > S+ 0 0 57 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.901 109.1 44.4 -62.8 -43.9 4.2 -18.4 41.4 6 1525 A Q H > S+ 0 0 2 -3,-0.4 4,-3.1 2,-0.2 5,-0.2 0.914 115.3 48.9 -63.7 -42.9 6.4 -15.5 40.2 7 1526 A V H X S+ 0 0 61 -4,-2.1 4,-2.2 2,-0.2 -2,-0.2 0.929 112.7 46.4 -66.3 -42.0 4.7 -15.7 36.8 8 1527 A A H X S+ 0 0 41 -4,-3.1 4,-2.0 2,-0.2 -1,-0.2 0.913 114.5 49.4 -65.6 -40.8 1.2 -15.6 38.3 9 1528 A F H X S+ 0 0 0 -4,-2.3 4,-2.2 -5,-0.2 -2,-0.2 0.949 111.8 46.7 -64.5 -49.8 2.3 -12.7 40.6 10 1529 A S H X S+ 0 0 5 -4,-3.1 4,-2.7 1,-0.2 -1,-0.2 0.884 109.9 56.2 -55.7 -40.2 3.8 -10.7 37.7 11 1530 A F H X S+ 0 0 136 -4,-2.2 4,-2.0 -5,-0.2 -1,-0.2 0.906 107.0 47.7 -60.9 -44.5 0.6 -11.4 35.7 12 1531 A I H X S+ 0 0 26 -4,-2.0 4,-1.8 2,-0.2 -2,-0.2 0.953 112.4 49.4 -63.3 -46.8 -1.6 -9.9 38.4 13 1532 A L H X S+ 0 0 0 -4,-2.2 4,-2.1 1,-0.2 -2,-0.2 0.902 110.0 51.4 -59.8 -41.1 0.6 -6.8 38.7 14 1533 A D H X S+ 0 0 29 -4,-2.7 4,-2.6 1,-0.2 -1,-0.2 0.872 108.5 51.9 -64.0 -39.1 0.6 -6.3 34.9 15 1534 A N H X S+ 0 0 47 -4,-2.0 4,-2.7 2,-0.2 5,-0.5 0.828 105.6 53.7 -65.7 -35.1 -3.2 -6.5 34.9 16 1535 A I H X>S+ 0 0 0 -4,-1.8 5,-2.3 3,-0.2 4,-1.6 0.947 113.1 45.5 -62.4 -47.0 -3.4 -3.8 37.6 17 1536 A V H <>S+ 0 0 0 -4,-2.1 5,-2.9 3,-0.2 6,-0.2 0.950 122.4 33.8 -58.9 -50.4 -1.3 -1.6 35.4 18 1537 A T H <5S+ 0 0 38 -4,-2.6 -2,-0.2 3,-0.2 -3,-0.2 0.891 125.9 37.5 -79.9 -38.3 -3.1 -2.2 32.1 19 1538 A Q H <5S+ 0 0 124 -4,-2.7 -3,-0.2 -5,-0.2 -1,-0.2 0.767 134.6 12.1 -85.4 -28.3 -6.7 -2.7 33.4 20 1539 A K T <5S+ 0 0 83 -4,-1.6 3,-0.4 -5,-0.5 4,-0.2 0.787 126.5 42.0-118.7 -57.6 -6.8 -0.0 36.1 21 1540 A M T > > + 0 0 169 1,-0.3 3,-2.5 2,-0.2 4,-0.6 0.835 69.4 64.7 -43.6 -44.1 -1.5 8.9 28.7 29 1548 A P G 34 S+ 0 0 55 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.677 106.2 45.8 -57.8 -15.3 1.3 11.3 29.8 30 1549 A F G <4 S+ 0 0 22 -3,-3.0 22,-2.6 1,-0.1 23,-0.3 0.378 91.0 83.3 -98.9 -3.4 2.3 8.7 32.4 31 1550 A H T <4 S+ 0 0 28 -3,-2.5 22,-0.6 -4,-0.5 -1,-0.1 0.777 101.3 20.4 -74.0 -24.7 2.1 5.6 30.1 32 1551 A H S < S- 0 0 77 -4,-0.6 20,-0.2 20,-0.2 3,-0.1 -0.836 102.2 -71.8-138.5 163.0 5.6 6.1 28.7 33 1552 A P - 0 0 59 0, 0.0 18,-0.1 0, 0.0 -2,-0.1 -0.388 68.8 -86.8 -55.8 142.9 8.8 7.9 29.8 34 1553 A V - 0 0 39 16,-0.1 2,-0.7 1,-0.1 3,-0.1 -0.242 43.2-120.2 -48.0 130.4 8.4 11.7 29.5 35 1554 A N >> - 0 0 92 1,-0.2 4,-1.5 -3,-0.1 3,-0.9 -0.727 16.2-156.8 -80.6 115.3 9.3 12.9 25.9 36 1555 A K T 34 S+ 0 0 128 -2,-0.7 -1,-0.2 1,-0.2 6,-0.1 0.748 88.3 69.7 -61.0 -30.0 12.3 15.4 26.2 37 1556 A K T 34 S+ 0 0 95 1,-0.2 -1,-0.2 2,-0.1 -2,-0.0 0.913 114.1 26.8 -51.3 -46.2 11.3 16.9 22.8 38 1557 A F T <4 S+ 0 0 157 -3,-0.9 -2,-0.2 1,-0.2 -1,-0.2 0.607 133.2 37.6 -94.2 -20.1 8.1 18.4 24.4 39 1558 A V S >< S+ 0 0 38 -4,-1.5 3,-1.7 1,-0.1 4,-0.3 -0.641 71.7 173.0-130.2 74.9 9.5 18.6 28.0 40 1559 A P T 3 S+ 0 0 95 0, 0.0 3,-0.3 0, 0.0 -1,-0.1 0.745 74.7 43.8 -63.4 -29.6 13.1 19.6 27.4 41 1560 A D T >> S+ 0 0 74 1,-0.2 4,-1.7 2,-0.1 3,-1.3 0.436 83.3 103.3 -90.9 -0.6 14.2 20.2 31.1 42 1561 A Y H <> S+ 0 0 18 -3,-1.7 4,-2.6 1,-0.3 -1,-0.2 0.841 81.4 44.4 -57.6 -42.7 12.5 17.1 32.5 43 1562 A Y H 34 S+ 0 0 82 -4,-0.3 -1,-0.3 -3,-0.3 -2,-0.1 0.600 108.8 57.7 -84.5 -8.2 15.6 15.0 32.9 44 1563 A K H <4 S+ 0 0 113 -3,-1.3 -1,-0.2 -4,-0.1 -2,-0.2 0.837 116.5 35.3 -78.2 -35.7 17.6 17.8 34.4 45 1564 A V H < S+ 0 0 52 -4,-1.7 2,-0.8 1,-0.2 -2,-0.2 0.896 114.1 57.7 -85.0 -45.9 15.0 18.3 37.2 46 1565 A I < - 0 0 2 -4,-2.6 -1,-0.2 -5,-0.2 34,-0.0 -0.808 58.6-178.1 -98.0 110.3 14.0 14.6 37.8 47 1566 A V S S+ 0 0 118 -2,-0.8 -1,-0.2 1,-0.2 -4,-0.0 0.780 79.2 35.9 -77.4 -34.7 16.9 12.4 38.7 48 1567 A N S S- 0 0 106 28,-0.1 -1,-0.2 2,-0.0 32,-0.1 -0.668 81.5-165.3-120.9 77.6 15.1 9.1 38.9 49 1568 A P + 0 0 53 0, 0.0 2,-0.3 0, 0.0 28,-0.1 -0.230 9.1 179.2 -66.1 151.8 12.4 9.0 36.2 50 1569 A M + 0 0 30 26,-0.1 2,-0.3 27,-0.1 -16,-0.1 -0.983 6.6 164.2-151.3 147.4 9.6 6.4 36.3 51 1570 A D > - 0 0 8 -2,-0.3 4,-1.9 -20,-0.1 -20,-0.2 -0.942 49.5 -95.9-155.6 172.6 6.6 5.7 34.2 52 1571 A L H > S+ 0 0 0 -22,-2.6 4,-2.4 -2,-0.3 -21,-0.2 0.814 118.6 54.9 -72.1 -29.0 4.1 2.9 33.6 53 1572 A E H > S+ 0 0 66 -22,-0.6 4,-2.2 -23,-0.3 -1,-0.2 0.905 108.4 48.8 -69.1 -40.5 5.9 1.4 30.6 54 1573 A T H > S+ 0 0 42 2,-0.2 4,-2.0 1,-0.2 -2,-0.2 0.893 110.7 51.1 -64.4 -39.6 9.1 1.0 32.6 55 1574 A I H X S+ 0 0 0 -4,-1.9 4,-2.4 1,-0.2 -2,-0.2 0.939 110.2 49.6 -62.2 -46.6 7.1 -0.6 35.4 56 1575 A R H X S+ 0 0 88 -4,-2.4 4,-2.6 1,-0.2 -2,-0.2 0.884 109.0 51.7 -61.4 -38.5 5.5 -3.0 32.8 57 1576 A K H X S+ 0 0 117 -4,-2.2 4,-1.3 2,-0.2 -1,-0.2 0.907 109.9 50.3 -64.1 -36.3 9.0 -3.9 31.5 58 1577 A N H <>S+ 0 0 33 -4,-2.0 5,-3.0 2,-0.2 6,-0.3 0.898 110.6 49.1 -67.2 -41.1 10.1 -4.6 35.1 59 1578 A I H ><5S+ 0 0 4 -4,-2.4 3,-2.0 1,-0.2 -2,-0.2 0.926 107.8 54.0 -61.4 -46.4 7.1 -6.9 35.6 60 1579 A S H 3<5S+ 0 0 86 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.793 110.4 47.2 -57.5 -31.7 7.8 -8.7 32.3 61 1580 A K T 3<5S- 0 0 120 -4,-1.3 -1,-0.3 -5,-0.1 -2,-0.2 0.280 115.7-119.0 -92.3 5.1 11.4 -9.3 33.6 62 1581 A H T < 5 + 0 0 50 -3,-2.0 -3,-0.2 1,-0.1 -2,-0.1 0.852 60.8 151.3 59.1 41.5 9.9 -10.5 37.0 63 1582 A K < + 0 0 94 -5,-3.0 2,-0.6 -6,-0.1 -4,-0.2 0.826 53.0 71.4 -67.5 -32.2 11.7 -7.7 38.9 64 1583 A Y + 0 0 0 -6,-0.3 -51,-0.1 1,-0.1 -1,-0.1 -0.802 45.2 169.0 -99.4 119.5 9.1 -7.6 41.6 65 1584 A Q S S+ 0 0 92 -2,-0.6 2,-0.3 1,-0.1 -1,-0.1 0.418 76.6 16.6-100.7 -8.7 8.8 -10.5 44.1 66 1585 A S S > S- 0 0 44 54,-0.1 4,-1.2 1,-0.0 3,-0.2 -0.973 83.0-104.3-154.4 172.8 6.4 -8.5 46.3 67 1586 A R H > S+ 0 0 40 -2,-0.3 4,-3.3 1,-0.2 5,-0.2 0.761 107.5 72.1 -76.5 -17.7 4.2 -5.6 46.2 68 1587 A E H > S+ 0 0 76 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.945 101.7 42.0 -62.6 -49.7 6.5 -3.4 48.3 69 1588 A S H > S+ 0 0 36 2,-0.2 4,-1.4 -3,-0.2 -1,-0.2 0.904 115.7 50.9 -64.0 -39.5 9.1 -3.0 45.4 70 1589 A F H >X S+ 0 0 0 -4,-1.2 4,-2.2 1,-0.2 3,-0.7 0.969 111.2 48.0 -58.9 -52.0 6.3 -2.5 42.8 71 1590 A L H 3X S+ 0 0 21 -4,-3.3 4,-3.1 1,-0.3 5,-0.2 0.814 102.9 62.6 -60.4 -34.9 4.7 0.2 45.0 72 1591 A D H 3X S+ 0 0 95 -4,-2.0 4,-1.2 -5,-0.2 -1,-0.3 0.903 109.6 40.7 -56.5 -42.2 8.1 1.9 45.4 73 1592 A D H X S+ 0 0 0 -4,-2.2 4,-1.0 1,-0.2 3,-0.6 0.956 111.0 46.9 -63.0 -46.8 4.5 3.4 41.5 75 1594 A N H 3X S+ 0 0 46 -4,-3.1 4,-2.7 1,-0.2 -1,-0.2 0.802 103.8 62.7 -66.2 -31.0 4.9 6.0 44.2 76 1595 A L H 3X S+ 0 0 44 -4,-1.2 4,-2.7 -5,-0.2 -1,-0.2 0.865 96.4 59.8 -62.1 -36.5 8.0 7.4 42.5 77 1596 A I H S+ 0 0 2 -4,-1.8 4,-2.5 -5,-0.2 5,-1.3 0.916 108.4 50.5 -64.0 -40.9 5.0 14.7 39.3 82 1601 A V H X5S+ 0 0 7 -4,-2.6 4,-0.8 3,-0.2 -1,-0.2 0.940 116.7 42.5 -60.8 -44.2 4.8 16.6 42.6 83 1602 A K H <5S+ 0 0 146 -4,-2.1 -2,-0.2 -5,-0.2 -1,-0.2 0.945 125.6 31.4 -69.8 -46.0 8.4 17.8 42.1 84 1603 A Y H <5S+ 0 0 63 -4,-3.3 -3,-0.2 -5,-0.1 -2,-0.2 0.928 135.3 23.1 -82.1 -47.5 8.2 18.6 38.4 85 1604 A N H <5S- 0 0 56 -4,-2.5 -3,-0.2 -5,-0.4 -2,-0.1 0.756 109.8-113.1 -91.7 -28.6 4.5 19.7 38.0 86 1605 A G ><< - 0 0 18 -5,-1.3 3,-1.0 -4,-0.8 6,-0.2 -0.174 31.2 -76.3 108.8 160.2 3.7 20.8 41.5 87 1606 A P T 3 S+ 0 0 18 0, 0.0 118,-0.1 0, 0.0 -1,-0.1 0.715 128.4 36.3 -70.2 -18.3 1.3 19.5 44.2 88 1607 A E T 3 S+ 0 0 76 -3,-0.1 -2,-0.1 -6,-0.1 -6,-0.1 0.276 83.7 129.1-117.0 10.9 -1.8 20.9 42.6 89 1608 A S <> - 0 0 25 -3,-1.0 4,-2.4 1,-0.1 3,-0.4 -0.358 68.4-122.5 -60.4 140.8 -1.1 20.4 38.9 90 1609 A Q H > S+ 0 0 132 1,-0.2 4,-2.1 2,-0.2 -1,-0.1 0.848 116.4 55.1 -46.3 -38.3 -3.7 18.6 36.8 91 1610 A Y H > S+ 0 0 98 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.886 105.8 49.6 -69.3 -34.6 -0.9 16.1 36.0 92 1611 A T H > S+ 0 0 0 -3,-0.4 4,-2.3 2,-0.2 -2,-0.2 0.904 108.7 53.0 -72.0 -35.4 -0.2 15.4 39.7 93 1612 A K H X S+ 0 0 90 -4,-2.4 4,-1.9 1,-0.2 -2,-0.2 0.933 110.0 48.6 -66.2 -37.8 -4.0 14.9 40.3 94 1613 A T H X S+ 0 0 25 -4,-2.1 4,-2.4 1,-0.2 -2,-0.2 0.946 110.7 50.3 -62.1 -48.2 -3.9 12.3 37.5 95 1614 A A H X S+ 0 0 1 -4,-2.4 4,-2.6 1,-0.2 -1,-0.2 0.872 108.2 53.8 -58.4 -36.8 -0.9 10.6 39.0 96 1615 A Q H X S+ 0 0 4 -4,-2.3 4,-3.1 2,-0.2 -1,-0.2 0.893 107.1 50.0 -69.9 -35.2 -2.7 10.5 42.4 97 1616 A E H X S+ 0 0 57 -4,-1.9 4,-2.8 2,-0.2 5,-0.3 0.920 111.1 50.1 -66.0 -40.6 -5.6 8.8 40.8 98 1617 A I H X S+ 0 0 2 -4,-2.4 4,-1.7 2,-0.2 -2,-0.2 0.940 114.8 43.3 -58.3 -48.9 -3.2 6.2 39.2 99 1618 A V H X S+ 0 0 0 -4,-2.6 4,-2.3 1,-0.2 -2,-0.2 0.932 114.6 50.6 -64.5 -48.0 -1.5 5.7 42.6 100 1619 A N H X S+ 0 0 1 -4,-3.1 4,-2.3 1,-0.2 -2,-0.2 0.903 110.2 46.9 -58.5 -45.9 -4.9 5.5 44.4 101 1620 A V H X S+ 0 0 17 -4,-2.8 4,-2.1 2,-0.2 -1,-0.2 0.831 109.1 57.5 -68.8 -30.5 -6.5 2.9 42.1 102 1621 A C H X S+ 0 0 0 -4,-1.7 4,-2.5 -5,-0.3 -2,-0.2 0.973 109.6 43.3 -60.4 -52.4 -3.3 0.8 42.3 103 1622 A Y H X S+ 0 0 47 -4,-2.3 4,-2.0 1,-0.2 -2,-0.2 0.914 113.5 52.1 -59.3 -39.9 -3.5 0.6 46.1 104 1623 A Q H X S+ 0 0 18 -4,-2.3 4,-2.1 2,-0.2 -1,-0.2 0.899 110.9 47.1 -62.5 -43.1 -7.3 -0.1 45.9 105 1624 A T H X S+ 0 0 0 -4,-2.1 4,-2.0 2,-0.2 -1,-0.2 0.901 108.0 55.4 -71.2 -41.7 -6.8 -2.9 43.4 106 1625 A L H < S+ 0 0 4 -4,-2.5 7,-0.2 2,-0.2 -1,-0.2 0.911 109.2 49.3 -51.0 -44.9 -4.0 -4.5 45.5 107 1626 A T H >< S+ 0 0 80 -4,-2.0 3,-1.7 1,-0.2 4,-0.3 0.918 106.4 53.6 -61.7 -45.2 -6.4 -4.5 48.4 108 1627 A E H 3< S+ 0 0 104 -4,-2.1 -1,-0.2 1,-0.3 3,-0.2 0.890 118.2 38.3 -57.4 -35.2 -9.1 -6.2 46.4 109 1628 A Y T 3X S+ 0 0 89 -4,-2.0 4,-2.3 1,-0.2 5,-0.3 0.152 84.8 117.1 -97.8 17.1 -6.5 -8.8 45.5 110 1629 A D H <> S+ 0 0 73 -3,-1.7 4,-3.0 1,-0.2 5,-0.2 0.894 71.3 47.9 -60.3 -53.4 -4.8 -9.0 49.0 111 1630 A E H > S+ 0 0 111 -4,-0.3 4,-1.5 1,-0.2 -1,-0.2 0.892 117.8 45.4 -56.6 -40.0 -5.5 -12.6 50.1 112 1631 A H H > S+ 0 0 119 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.836 114.9 44.2 -71.9 -38.8 -4.4 -13.8 46.7 113 1632 A L H X S+ 0 0 0 -4,-2.3 4,-2.7 -7,-0.2 -2,-0.2 0.831 109.7 58.1 -77.5 -32.5 -1.2 -11.7 46.4 114 1633 A T H X S+ 0 0 63 -4,-3.0 4,-2.1 -5,-0.3 -2,-0.2 0.907 106.6 48.3 -60.8 -42.9 -0.4 -12.5 50.0 115 1634 A Q H X S+ 0 0 100 -4,-1.5 4,-2.3 -5,-0.2 -2,-0.2 0.925 113.0 46.4 -65.5 -47.3 -0.3 -16.2 49.2 116 1635 A L H X S+ 0 0 12 -4,-1.7 4,-2.5 2,-0.2 5,-0.2 0.903 112.9 50.6 -59.4 -43.5 1.8 -15.8 46.1 117 1636 A E H X S+ 0 0 34 -4,-2.7 4,-2.3 2,-0.2 -2,-0.2 0.904 110.3 50.0 -60.5 -42.0 4.2 -13.5 48.0 118 1637 A K H X S+ 0 0 80 -4,-2.1 4,-3.1 1,-0.2 -2,-0.2 0.934 113.7 44.6 -63.7 -48.5 4.5 -16.0 50.8 119 1638 A D H X S+ 0 0 54 -4,-2.3 4,-2.3 2,-0.2 -1,-0.2 0.848 112.7 50.5 -66.6 -37.0 5.3 -18.9 48.4 120 1639 A I H X S+ 0 0 15 -4,-2.5 4,-1.2 2,-0.2 -1,-0.2 0.922 114.6 45.3 -65.6 -42.0 7.8 -16.8 46.3 121 1640 A C H < S+ 0 0 93 -4,-2.3 3,-0.4 -5,-0.2 -2,-0.2 0.928 110.8 53.3 -67.3 -45.9 9.5 -15.9 49.6 122 1641 A T H < S+ 0 0 95 -4,-3.1 -2,-0.2 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113.2 49.7 -57.2 -45.7 -27.0 17.4 50.7 133 1526 B V H X S+ 0 0 62 -4,-2.0 4,-2.3 1,-0.2 -2,-0.2 0.920 112.1 47.7 -64.0 -41.3 -27.1 17.0 54.5 134 1527 B A H X S+ 0 0 41 -4,-2.7 4,-1.9 2,-0.2 -1,-0.2 0.873 112.7 49.5 -64.9 -39.8 -27.1 13.2 54.2 135 1528 B F H X S+ 0 0 0 -4,-2.4 4,-2.2 2,-0.2 -2,-0.2 0.954 111.1 48.0 -65.1 -49.2 -24.2 13.4 51.7 136 1529 B S H X S+ 0 0 5 -4,-3.1 4,-2.5 1,-0.2 -2,-0.2 0.896 108.8 56.8 -58.2 -38.7 -22.2 15.7 53.9 137 1530 B F H X S+ 0 0 135 -4,-2.3 4,-1.9 -5,-0.2 -1,-0.2 0.914 106.0 48.3 -60.3 -44.1 -22.9 13.4 56.9 138 1531 B I H X S+ 0 0 38 -4,-1.9 4,-2.1 1,-0.2 -1,-0.2 0.958 111.6 50.4 -61.1 -47.6 -21.4 10.4 55.1 139 1532 B L H X S+ 0 0 0 -4,-2.2 4,-2.1 1,-0.2 -2,-0.2 0.899 108.0 53.1 -55.6 -42.1 -18.3 12.4 54.2 140 1533 B D H X S+ 0 0 34 -4,-2.5 4,-2.8 1,-0.2 -1,-0.2 0.867 108.5 50.6 -68.1 -36.0 -17.8 13.6 57.8 141 1534 B N H X>S+ 0 0 32 -4,-1.9 4,-3.4 2,-0.2 5,-0.8 0.872 104.5 55.6 -67.8 -35.5 -17.9 10.0 59.0 142 1535 B I H X>S+ 0 0 0 -4,-2.1 5,-2.4 3,-0.2 4,-1.3 0.963 113.1 44.9 -61.4 -43.3 -15.3 8.9 56.4 143 1536 B V H <>S+ 0 0 0 -4,-2.1 5,-2.6 3,-0.2 -2,-0.2 0.954 124.4 31.3 -62.3 -52.2 -13.1 11.6 58.0 144 1537 B T H <5S+ 0 0 45 -4,-2.8 -2,-0.2 3,-0.2 -3,-0.2 0.808 125.7 38.5 -80.8 -34.8 -13.9 10.8 61.6 145 1538 B Q H <5S+ 0 0 124 -4,-3.4 -3,-0.2 -5,-0.2 -1,-0.2 0.808 134.7 12.4 -85.0 -33.6 -14.4 7.0 61.6 146 1539 B K T >< + 0 0 172 1,-0.3 3,-2.3 2,-0.2 4,-0.5 0.789 69.5 63.4 -45.8 -43.8 -2.7 13.4 64.4 155 1548 B P G 3 S+ 0 0 55 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.664 106.8 46.4 -57.5 -18.2 -0.3 15.8 62.6 156 1549 B F G < S+ 0 0 20 -3,-2.9 22,-2.5 1,-0.1 23,-0.3 0.392 91.4 83.4 -96.7 -2.1 -2.8 15.9 59.7 157 1550 B H S < S+ 0 0 22 -3,-2.3 22,-0.6 -4,-0.4 -1,-0.1 0.724 101.5 19.3 -74.8 -24.1 -5.9 16.4 61.9 158 1551 B H S S- 0 0 76 -4,-0.5 20,-0.2 20,-0.2 3,-0.1 -0.892 102.3 -72.4-137.4 162.6 -5.5 20.2 62.1 159 1552 B P - 0 0 52 0, 0.0 18,-0.1 0, 0.0 -2,-0.1 -0.295 68.3 -85.7 -55.0 147.5 -3.6 22.9 60.1 160 1553 B V - 0 0 38 16,-0.1 2,-0.9 1,-0.1 -4,-0.1 -0.266 41.6-123.0 -56.4 135.3 0.2 22.7 60.7 161 1554 B N >> - 0 0 94 1,-0.2 4,-1.6 -3,-0.1 3,-1.6 -0.774 15.3-156.2 -87.4 109.9 1.2 24.7 63.7 162 1555 B K T 34 S+ 0 0 127 -2,-0.9 -1,-0.2 1,-0.3 6,-0.1 0.661 86.5 74.0 -56.5 -20.9 3.7 27.3 62.5 163 1556 B K T 34 S+ 0 0 114 1,-0.2 -1,-0.3 2,-0.1 -3,-0.0 0.892 112.6 24.3 -61.2 -38.8 5.2 27.5 66.1 164 1557 B F T <4 S+ 0 0 163 -3,-1.6 -2,-0.2 1,-0.2 -1,-0.2 0.667 132.5 40.1-101.3 -22.1 6.8 24.1 65.6 165 1558 B V S >< S+ 0 0 38 -4,-1.6 3,-1.7 1,-0.1 4,-0.3 -0.720 73.6 175.5-126.9 74.3 7.0 24.1 61.8 166 1559 B P T 3 S+ 0 0 83 0, 0.0 3,-0.2 0, 0.0 -1,-0.1 0.694 72.9 42.4 -67.8 -26.3 8.0 27.7 61.2 167 1560 B D T >> S+ 0 0 63 1,-0.2 4,-1.4 2,-0.1 3,-1.2 0.329 82.8 105.4 -95.1 4.6 8.6 27.7 57.4 168 1561 B Y H <> S+ 0 0 17 -3,-1.7 4,-2.8 1,-0.3 3,-0.4 0.880 81.9 42.4 -59.2 -46.0 5.5 25.6 56.5 169 1562 B Y H 34 S+ 0 0 94 -4,-0.3 -1,-0.3 1,-0.2 -2,-0.1 0.538 110.2 58.7 -82.2 -6.4 3.3 28.4 55.1 170 1563 B K H <4 S+ 0 0 174 -3,-1.2 -1,-0.2 -4,-0.0 -2,-0.2 0.723 116.2 34.6 -84.2 -26.5 6.3 29.9 53.3 171 1564 B V H < S+ 0 0 51 -4,-1.4 2,-0.6 -3,-0.4 -2,-0.2 0.884 110.8 60.6 -95.1 -45.6 6.7 26.5 51.4 172 1565 B I < - 0 0 3 -4,-2.8 -1,-0.2 -5,-0.2 34,-0.0 -0.782 60.2-167.4 -96.2 118.1 3.2 25.2 50.9 173 1566 B V S S+ 0 0 112 -2,-0.6 -1,-0.2 1,-0.3 -4,-0.0 0.895 82.5 25.4 -73.7 -42.2 0.9 27.5 48.9 174 1567 B N S S- 0 0 77 28,-0.1 -1,-0.3 2,-0.0 32,-0.1 -0.760 80.7-162.0-126.3 82.9 -2.4 25.8 49.6 175 1568 B P - 0 0 45 0, 0.0 2,-0.3 0, 0.0 28,-0.1 -0.275 9.3-174.5 -62.0 149.3 -2.3 24.0 53.0 176 1569 B M + 0 0 31 26,-0.1 2,-0.3 27,-0.1 -16,-0.1 -0.983 9.8 162.6-144.9 152.7 -5.0 21.4 53.7 177 1570 B D > - 0 0 6 -2,-0.3 4,-1.9 -20,-0.1 -20,-0.2 -0.952 49.4 -95.7-161.8 169.2 -5.8 19.2 56.7 178 1571 B L H > S+ 0 0 0 -22,-2.5 4,-2.6 -2,-0.3 -21,-0.2 0.798 118.5 54.5 -71.0 -30.7 -8.7 17.1 58.1 179 1572 B E H > S+ 0 0 64 -22,-0.6 4,-2.4 -23,-0.3 -1,-0.2 0.890 108.4 49.5 -68.7 -41.4 -10.2 19.8 60.2 180 1573 B T H > S+ 0 0 42 2,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.906 111.2 49.9 -60.9 -41.8 -10.4 22.2 57.3 181 1574 B I H X S+ 0 0 0 -4,-1.9 4,-2.8 2,-0.2 -2,-0.2 0.926 110.2 50.6 -63.5 -44.5 -12.1 19.4 55.2 182 1575 B R H X S+ 0 0 95 -4,-2.6 4,-2.6 2,-0.2 -2,-0.2 0.896 109.0 51.0 -58.9 -42.7 -14.6 18.8 58.1 183 1576 B K H X S+ 0 0 119 -4,-2.4 4,-1.4 2,-0.2 -1,-0.2 0.919 110.4 49.9 -58.8 -43.0 -15.3 22.6 58.2 184 1577 B N H <>S+ 0 0 40 -4,-2.3 5,-2.5 1,-0.2 3,-0.4 0.931 110.7 50.1 -60.4 -46.9 -16.0 22.5 54.4 185 1578 B I H ><5S+ 0 0 3 -4,-2.8 3,-2.2 1,-0.2 -2,-0.2 0.924 106.7 53.8 -56.5 -46.5 -18.3 19.5 54.9 186 1579 B S H 3<5S+ 0 0 82 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.797 110.4 47.5 -63.1 -28.4 -20.2 21.3 57.7 187 1580 B K T 3<5S- 0 0 119 -4,-1.4 -1,-0.3 -3,-0.4 -2,-0.2 0.262 116.0-119.8 -91.7 7.0 -20.8 24.2 55.3 188 1581 B H T < 5 + 0 0 43 -3,-2.2 -3,-0.2 -5,-0.1 -2,-0.1 0.903 59.2 153.7 58.1 45.7 -21.8 21.6 52.6 189 1582 B K < + 0 0 65 -5,-2.5 2,-0.6 -6,-0.1 -4,-0.2 0.755 52.9 72.7 -73.5 -24.1 -19.0 22.7 50.3 190 1583 B Y + 0 0 1 -6,-0.2 -51,-0.1 1,-0.1 3,-0.1 -0.838 46.7 170.4-101.2 119.0 -18.9 19.3 48.5 191 1584 B Q S S+ 0 0 97 -2,-0.6 2,-0.3 1,-0.1 -1,-0.1 0.519 76.4 17.7 -99.9 -11.0 -21.8 18.3 46.2 192 1585 B S S > S- 0 0 38 54,-0.1 4,-0.9 55,-0.0 3,-0.4 -0.948 85.5-105.1-154.5 167.3 -20.0 15.2 44.9 193 1586 B R H > S+ 0 0 30 -2,-0.3 4,-3.1 1,-0.2 5,-0.2 0.762 104.5 72.9 -75.3 -21.2 -17.2 13.1 46.0 194 1587 B E H > S+ 0 0 104 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.906 97.9 45.8 -61.5 -44.9 -14.6 14.3 43.6 195 1588 B S H > S+ 0 0 56 -3,-0.4 4,-1.7 2,-0.2 -1,-0.2 0.886 114.1 50.0 -67.7 -36.4 -14.0 17.7 45.2 196 1589 B F H X S+ 0 0 0 -4,-0.9 4,-2.1 2,-0.2 3,-0.3 0.963 111.7 47.4 -61.9 -52.6 -13.8 16.1 48.6 197 1590 B L H X S+ 0 0 18 -4,-3.1 4,-3.4 1,-0.2 5,-0.2 0.856 106.6 59.4 -58.0 -34.8 -11.3 13.6 47.3 198 1591 B D H X S+ 0 0 69 -4,-2.3 4,-1.6 -5,-0.2 -1,-0.2 0.914 107.3 45.2 -61.4 -40.3 -9.3 16.4 45.7 199 1592 B D H X S+ 0 0 32 -4,-1.7 4,-1.3 -3,-0.3 -1,-0.2 0.883 113.1 50.6 -69.9 -38.8 -8.8 18.1 49.1 200 1593 B V H >X S+ 0 0 0 -4,-2.1 4,-1.0 1,-0.2 3,-0.6 0.950 110.1 50.1 -62.2 -46.8 -7.9 14.8 50.7 201 1594 B N H 3X S+ 0 0 6 -4,-3.4 4,-2.5 1,-0.2 -1,-0.2 0.834 101.9 62.8 -58.2 -35.8 -5.3 14.2 47.9 202 1595 B L H 3X S+ 0 0 16 -4,-1.6 4,-2.9 1,-0.2 5,-0.2 0.882 95.4 59.9 -63.1 -34.2 -3.9 17.7 48.5 203 1596 B I H S+ 0 0 1 -4,-1.9 5,-1.8 -5,-0.2 4,-1.7 0.890 107.0 52.3 -64.0 -42.5 3.4 16.3 52.4 208 1601 B V H <5S+ 0 0 14 -4,-2.5 -1,-0.2 3,-0.2 4,-0.2 0.925 115.7 42.9 -55.9 -45.9 5.4 14.9 49.5 209 1602 B K H <5S+ 0 0 89 -4,-2.0 -2,-0.2 -5,-0.2 -1,-0.2 0.954 127.1 28.0 -66.2 -50.8 6.5 18.5 48.8 210 1603 B Y H <5S+ 0 0 61 -4,-3.3 -3,-0.2 -5,-0.1 -2,-0.2 0.965 134.6 26.5 -78.3 -56.0 7.2 19.6 52.4 211 1604 B N T <5S- 0 0 58 -4,-1.7 -3,-0.2 -5,-0.3 3,-0.1 0.776 113.1-113.2 -80.6 -30.7 8.2 16.4 54.2 212 1605 B G > < - 0 0 16 -5,-1.8 3,-1.1 -4,-0.2 6,-0.3 -0.087 27.4 -78.9 109.4 156.9 9.5 14.6 51.2 213 1606 B P T 3 S+ 0 0 65 0, 0.0 -1,-0.1 0, 0.0 -5,-0.1 0.692 126.9 38.3 -67.6 -21.9 8.4 11.6 49.2 214 1607 B E T 3 S+ 0 0 154 -3,-0.1 -2,-0.1 -6,-0.1 -6,-0.1 0.331 84.0 125.8-115.7 9.2 9.8 9.1 51.7 215 1608 B S <> - 0 0 26 -3,-1.1 4,-2.2 -8,-0.1 3,-0.2 -0.314 70.0-122.5 -59.4 141.7 9.1 10.7 55.0 216 1609 B Q H > S+ 0 0 139 1,-0.2 4,-2.2 2,-0.2 5,-0.1 0.863 115.4 58.2 -49.9 -35.9 7.2 8.7 57.5 217 1610 B Y H > S+ 0 0 96 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.909 104.3 49.1 -67.0 -41.4 4.6 11.6 57.4 218 1611 B T H > S+ 0 0 9 -6,-0.3 4,-2.4 2,-0.2 -1,-0.2 0.896 109.0 52.1 -63.7 -39.9 4.1 11.1 53.7 219 1612 B K H X S+ 0 0 118 -4,-2.2 4,-1.6 2,-0.2 -2,-0.2 0.910 110.8 48.5 -63.7 -39.2 3.6 7.4 54.2 220 1613 B T H X S+ 0 0 27 -4,-2.2 4,-1.9 2,-0.2 -2,-0.2 0.919 109.3 52.8 -64.3 -43.9 1.0 8.2 56.9 221 1614 B A H X S+ 0 0 1 -4,-2.6 4,-2.2 1,-0.2 -2,-0.2 0.902 107.4 51.5 -61.1 -40.2 -0.7 10.7 54.5 222 1615 B Q H X S+ 0 0 12 -4,-2.4 4,-3.0 1,-0.2 -1,-0.2 0.875 106.5 54.2 -67.2 -32.4 -1.0 8.1 51.8 223 1616 B E H X S+ 0 0 84 -4,-1.6 4,-2.5 2,-0.2 -1,-0.2 0.897 108.0 50.2 -62.5 -39.3 -2.6 5.7 54.3 224 1617 B I H X S+ 0 0 1 -4,-1.9 4,-1.9 2,-0.2 -2,-0.2 0.916 112.3 46.7 -63.6 -43.4 -5.2 8.5 55.0 225 1618 B V H X S+ 0 0 1 -4,-2.2 4,-3.1 2,-0.2 5,-0.2 0.943 111.4 52.4 -63.1 -44.8 -5.8 8.8 51.2 226 1619 B N H X S+ 0 0 17 -4,-3.0 4,-2.8 1,-0.2 5,-0.3 0.914 110.0 46.8 -62.8 -43.3 -6.0 5.0 50.9 227 1620 B V H X S+ 0 0 20 -4,-2.5 4,-1.8 2,-0.2 -1,-0.2 0.897 114.5 48.2 -68.8 -35.3 -8.7 4.6 53.6 228 1621 B C H X S+ 0 0 0 -4,-1.9 4,-2.8 -5,-0.2 5,-0.2 0.966 114.9 44.5 -62.9 -53.0 -10.7 7.5 52.2 229 1622 B Y H X S+ 0 0 27 -4,-3.1 4,-1.7 1,-0.2 -2,-0.2 0.876 113.9 49.4 -60.0 -42.5 -10.5 6.1 48.6 230 1623 B Q H X S+ 0 0 54 -4,-2.8 4,-2.2 -5,-0.2 -1,-0.2 0.893 113.2 47.3 -66.8 -37.9 -11.3 2.6 49.7 231 1624 B T H X S+ 0 0 0 -4,-1.8 4,-2.0 -5,-0.3 -2,-0.2 0.908 108.9 52.6 -73.5 -39.8 -14.3 3.8 51.8 232 1625 B L H < S+ 0 0 6 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.867 109.9 50.6 -58.0 -37.8 -15.6 6.0 49.0 233 1626 B T H >< S+ 0 0 59 -4,-1.7 3,-1.4 -5,-0.2 4,-0.2 0.917 108.4 51.7 -69.0 -42.5 -15.4 2.9 46.8 234 1627 B E H 3< S+ 0 0 111 -4,-2.2 3,-0.3 1,-0.3 -2,-0.2 0.861 114.9 42.5 -60.0 -35.4 -17.4 0.8 49.4 235 1628 B Y T 3X S+ 0 0 72 -4,-2.0 4,-2.4 1,-0.2 3,-0.5 0.305 79.4 119.1 -94.2 9.0 -20.1 3.4 49.5 236 1629 B D H <> S+ 0 0 78 -3,-1.4 4,-2.5 1,-0.2 5,-0.2 0.831 72.3 50.5 -44.5 -47.9 -20.2 4.0 45.7 237 1630 B E H > S+ 0 0 157 -3,-0.3 4,-1.8 -4,-0.2 -1,-0.2 0.940 114.8 42.7 -59.7 -46.2 -23.9 3.0 45.2 238 1631 B H H > S+ 0 0 113 -3,-0.5 4,-2.1 1,-0.2 -1,-0.2 0.889 114.6 50.0 -72.5 -40.2 -25.2 5.2 48.0 239 1632 B L H X S+ 0 0 0 -4,-2.4 4,-3.0 2,-0.2 -1,-0.2 0.878 107.7 53.3 -66.5 -40.4 -23.0 8.2 47.1 240 1633 B T H X S+ 0 0 66 -4,-2.5 4,-2.9 -5,-0.3 -2,-0.2 0.928 108.9 49.8 -61.0 -43.4 -24.1 8.0 43.4 241 1634 B Q H X S+ 0 0 110 -4,-1.8 4,-2.7 -5,-0.2 -2,-0.2 0.947 113.7 45.2 -60.9 -46.9 -27.7 8.1 44.4 242 1635 B L H X S+ 0 0 21 -4,-2.1 4,-3.2 2,-0.2 5,-0.2 0.931 113.2 49.8 -63.7 -41.1 -27.1 11.2 46.6 243 1636 B E H X S+ 0 0 29 -4,-3.0 4,-2.6 1,-0.2 -2,-0.2 0.931 112.0 49.3 -63.2 -43.3 -25.0 12.9 44.0 244 1637 B K H X S+ 0 0 64 -4,-2.9 4,-2.9 -5,-0.2 -2,-0.2 0.951 113.2 45.8 -55.6 -51.2 -27.8 12.3 41.5 245 1638 B D H X S+ 0 0 52 -4,-2.7 4,-1.8 1,-0.2 -2,-0.2 0.877 113.2 49.5 -70.0 -34.8 -30.5 13.6 43.8 246 1639 B I H X S+ 0 0 13 -4,-3.2 4,-2.4 2,-0.2 -1,-0.2 0.931 113.1 47.0 -61.7 -45.7 -28.3 16.7 44.7 247 1640 B C H X S+ 0 0 84 -4,-2.6 4,-2.8 -5,-0.2 -2,-0.2 0.884 108.3 54.8 -69.5 -38.5 -27.7 17.4 41.0 248 1641 B T H X S+ 0 0 89 -4,-2.9 4,-0.6 2,-0.2 -1,-0.2 0.929 109.6 48.2 -55.8 -47.0 -31.4 16.9 40.1 249 1642 B A H >< S+ 0 0 49 -4,-1.8 3,-1.5 2,-0.2 -2,-0.2 0.945 110.1 51.6 -59.1 -50.5 -32.3 19.6 42.7 250 1643 B K H 3< S+ 0 0 82 -4,-2.4 -2,-0.2 1,-0.3 -1,-0.2 0.961 105.0 55.3 -48.2 -59.0 -29.6 21.9 41.4 251 1644 B E H 3< 0 0 94 -4,-2.8 -1,-0.3 -5,-0.1 -2,-0.2 0.625 360.0 360.0 -55.3 -14.4 -31.0 21.6 37.8 252 1645 B A << 0 0 121 -3,-1.5 -3,-0.1 -4,-0.6 -2,-0.0 0.182 360.0 360.0-115.5 360.0 -34.4 22.7 39.3