==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=29-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LIPOCALIN 29-MAR-02 1GX9 . COMPND 2 MOLECULE: BETA-LACTOGLOBULIN; . SOURCE 2 ORGANISM_SCIENTIFIC: BOS TAURUS; . AUTHOR G.KONTOPIDIS,L.SAWYER . 161 1 2 2 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8449.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 116 72.0 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 . 60 37.3 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 1.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 1.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.6 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 . 22 13.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 18 11.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 12 7.5 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+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 0 0 0 0 0 1 0 0 0 0 0 0 0 0 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 1 1 2 0 2 2 0 1 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 1 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 2 A I 0 0 87 0, 0.0 2,-0.6 0, 0.0 115,-0.0 0.000 360.0 360.0 360.0 -44.3 5.5 35.6 58.8 2 3 A V - 0 0 19 1,-0.1 137,-0.1 140,-0.0 105,-0.0 -0.749 360.0-177.1 -84.1 114.5 4.0 39.1 58.5 3 4 A T + 0 0 132 -2,-0.6 2,-0.5 2,-0.0 -1,-0.1 0.038 56.3 87.1-104.8 14.7 0.4 38.8 57.5 4 5 A Q + 0 0 76 134,-0.0 2,-0.3 2,-0.0 91,-0.1 -0.987 40.8 152.8-124.1 124.4 -0.3 42.5 57.2 5 6 A T - 0 0 61 -2,-0.5 2,-0.4 89,-0.1 89,-0.3 -0.963 43.5-117.2-134.9 145.5 0.3 44.5 54.0 6 7 A M > - 0 0 34 87,-1.8 3,-0.5 -2,-0.3 2,-0.2 -0.734 29.6-125.3 -92.6 135.2 -1.7 47.6 53.2 7 8 A K T 3 S+ 0 0 198 -2,-0.4 -1,-0.0 1,-0.2 87,-0.0 -0.501 82.0 11.2 -80.8 145.3 -3.8 47.5 50.1 8 9 A G T 3 S- 0 0 73 -2,-0.2 -1,-0.2 1,-0.2 2,-0.1 0.903 81.7-176.1 59.4 50.3 -3.6 50.0 47.3 9 10 A L < - 0 0 22 -3,-0.5 2,-0.5 84,-0.1 -1,-0.2 -0.424 23.1-150.1 -74.5 147.5 -0.4 51.7 48.4 10 11 A D > - 0 0 81 1,-0.1 3,-2.1 -2,-0.1 4,-0.4 -0.770 12.7-174.7-119.8 85.9 1.1 54.7 46.6 11 12 A I G > S+ 0 0 19 -2,-0.5 3,-1.2 1,-0.3 -1,-0.1 0.785 81.4 62.2 -54.1 -31.4 4.8 54.4 47.2 12 13 A Q G > S+ 0 0 82 1,-0.3 3,-0.9 2,-0.1 -1,-0.3 0.876 98.9 60.1 -64.1 -28.4 5.6 57.7 45.5 13 14 A K G < S+ 0 0 98 -3,-2.1 -1,-0.3 1,-0.3 -2,-0.2 0.611 91.6 64.8 -69.6 -22.1 3.5 59.2 48.3 14 15 A V G < S+ 0 0 2 -3,-1.2 -1,-0.3 -4,-0.4 2,-0.2 0.108 76.9 126.1 -91.8 21.5 5.7 57.9 51.2 15 16 A A < + 0 0 42 -3,-0.9 2,-0.3 31,-0.1 31,-0.2 -0.511 47.2 37.8 -80.1 148.2 8.6 60.1 49.9 16 17 A G E S-A 45 0A 23 29,-2.8 29,-2.5 -2,-0.2 2,-0.2 -0.854 92.5 -5.0 125.7-157.0 10.2 62.5 52.3 17 18 A T E +A 44 0A 87 -2,-0.3 2,-0.3 27,-0.2 27,-0.2 -0.575 54.6 179.4 -84.5 141.9 11.4 62.8 55.9 18 19 A W - 0 0 4 25,-1.2 2,-0.5 -2,-0.2 105,-0.2 -0.996 19.2-146.9-143.0 148.6 10.6 60.1 58.5 19 20 A Y E -B 122 0A 48 103,-3.9 103,-2.4 -2,-0.3 2,-2.1 -0.960 18.1-135.7-114.1 117.8 11.4 59.6 62.2 20 21 A S E +B 121 0A 0 -2,-0.5 101,-0.2 22,-0.4 3,-0.1 -0.522 32.1 172.9 -72.4 83.4 11.9 56.1 63.6 21 22 A L E - 0 0 1 -2,-2.1 129,-2.8 99,-1.6 2,-0.3 0.799 62.6 -5.1 -58.1 -37.9 9.8 56.6 66.7 22 23 A A E -BC 120 149A 0 98,-0.8 98,-1.9 127,-0.2 2,-0.3 -0.995 60.7-161.2-157.1 161.9 10.0 53.0 67.7 23 24 A M E -BC 119 148A 1 125,-2.5 125,-2.8 -2,-0.3 2,-0.3 -0.992 1.1-166.6-148.6 159.1 11.3 49.5 66.7 24 25 A A E -BC 118 147A 0 94,-2.7 94,-2.5 -2,-0.3 2,-0.3 -0.995 3.1-170.8-147.3 143.9 10.8 45.9 67.4 25 26 A A E -BC 117 146A 0 121,-1.8 120,-3.0 -2,-0.3 121,-1.5 -0.880 29.9-132.3-131.4 161.5 12.7 42.6 66.7 26 27 A S S S+ 0 0 0 90,-1.6 2,-0.4 118,-0.3 91,-0.1 0.614 100.2 45.4 -88.2 -14.4 12.0 38.9 67.1 27 28 A D S > S- 0 0 34 89,-0.3 3,-2.5 1,-0.1 4,-0.4 -0.997 79.4-137.2-132.6 123.8 15.4 38.4 68.7 28 29 A I G >> S+ 0 0 88 -2,-0.4 3,-1.4 1,-0.3 4,-1.3 0.799 102.2 63.5 -46.9 -36.0 16.8 40.7 71.4 29 30 A S G 34 S+ 0 0 78 1,-0.3 4,-0.3 2,-0.2 -1,-0.3 0.621 86.3 71.3 -71.3 -14.3 20.2 40.7 69.7 30 31 A L G <4 S+ 0 0 24 -3,-2.5 8,-1.2 1,-0.2 -1,-0.3 0.699 121.8 12.3 -75.7 -15.4 18.9 42.3 66.6 31 32 A L T <4 S+ 0 0 1 -3,-1.4 -2,-0.2 -4,-0.4 5,-0.2 0.399 99.2 103.9-137.5 -3.2 18.5 45.6 68.5 32 33 A D S < S+ 0 0 103 -4,-1.3 -3,-0.1 -5,-0.2 -2,-0.1 0.954 78.5 39.1 -54.3 -65.2 20.4 45.0 71.7 33 34 A A S S- 0 0 47 -4,-0.3 3,-0.1 1,-0.1 6,-0.0 -0.085 86.7-110.1 -78.4-176.3 23.6 47.0 71.2 34 35 A Q S S+ 0 0 101 1,-0.2 26,-0.4 25,-0.0 -1,-0.1 0.695 126.3 42.9 -76.3 -27.7 24.2 50.3 69.5 35 36 A S S S+ 0 0 78 24,-0.1 -1,-0.2 26,-0.0 -3,-0.1 0.186 86.1 141.1-105.4 10.9 25.9 48.3 66.8 36 37 A A > - 0 0 5 -5,-0.2 3,-1.4 -3,-0.1 -6,-0.2 -0.247 63.3-108.8 -55.1 147.7 23.2 45.6 66.8 37 38 A P T 3 S+ 0 0 73 0, 0.0 -7,-0.1 0, 0.0 -6,-0.1 0.890 109.2 29.9 -48.1 -63.9 22.4 44.4 63.3 38 39 A L T 3 S+ 0 0 43 -8,-1.2 2,-1.5 1,-0.1 -7,-0.1 0.105 82.2 118.6 -94.7 25.9 19.0 45.8 62.6 39 40 A R < + 0 0 41 -3,-1.4 21,-0.5 21,-0.1 2,-0.3 -0.577 42.0 150.5 -89.6 73.6 19.3 49.0 64.7 40 41 A V - 0 0 37 -2,-1.5 2,-0.5 19,-0.1 19,-0.2 -0.822 38.2-145.0-111.5 144.8 18.9 51.5 61.8 41 42 A Y E - D 0 58A 10 17,-2.5 17,-3.7 -2,-0.3 2,-0.4 -0.942 19.5-129.5-113.9 122.2 17.4 55.0 61.9 42 43 A V E + D 0 57A 10 -2,-0.5 -22,-0.4 15,-0.3 15,-0.3 -0.563 25.8 176.1 -75.3 119.4 15.5 56.2 58.9 43 44 A E E - 0 0 64 13,-3.6 -25,-1.2 -2,-0.4 2,-0.3 0.896 66.8 -33.4 -83.7 -52.8 16.6 59.6 57.5 44 45 A E E -AD 17 56A 62 12,-1.1 12,-3.3 -27,-0.2 2,-0.5 -0.992 50.0-126.1-166.7 160.2 14.2 59.7 54.5 45 46 A L E -AD 16 55A 2 -29,-2.5 -29,-2.8 -2,-0.3 10,-0.2 -0.947 20.5-175.3-114.4 132.1 12.5 57.6 51.9 46 47 A K E - D 0 54A 70 8,-3.2 8,-2.2 -2,-0.5 2,-0.3 -0.911 9.8-157.4-130.6 107.2 12.7 58.2 48.2 47 48 A P E - D 0 53A 17 0, 0.0 6,-0.2 0, 0.0 -32,-0.0 -0.632 19.7-133.6 -72.3 134.5 10.7 56.2 45.7 48 49 A T > - 0 0 26 4,-1.6 3,-3.8 -2,-0.3 4,-0.4 -0.627 22.1-109.9 -91.9 149.9 12.2 56.2 42.2 49 50 A P T 3 S+ 0 0 123 0, 0.0 -1,-0.1 0, 0.0 -37,-0.1 0.804 120.3 60.5 -47.9 -37.1 10.1 56.7 39.0 50 51 A E T 3 S- 0 0 133 1,-0.1 24,-0.0 24,-0.0 0, 0.0 0.612 125.7-104.9 -67.3 -12.6 10.5 53.1 38.1 51 52 A G S < S+ 0 0 16 -3,-3.8 2,-0.1 1,-0.2 -1,-0.1 0.696 74.4 137.2 94.9 24.8 8.8 52.3 41.4 52 53 A D - 0 0 27 -4,-0.4 -4,-1.6 21,-0.1 2,-0.5 -0.422 51.1-120.7 -95.9 175.2 11.8 51.2 43.5 53 54 A L E -DE 47 72A 2 19,-3.4 19,-3.0 -6,-0.2 2,-0.5 -0.838 20.2-170.7-131.5 99.6 12.5 52.2 47.1 54 55 A E E -DE 46 71A 23 -8,-2.2 -8,-3.2 -2,-0.5 2,-0.5 -0.730 14.3-161.4 -82.6 120.8 15.6 54.1 48.1 55 56 A I E -DE 45 70A 12 15,-3.6 15,-3.1 -2,-0.5 2,-0.5 -0.916 7.8-157.0-112.2 129.9 16.0 54.3 51.9 56 57 A L E +DE 44 69A 18 -12,-3.3 -13,-3.6 -2,-0.5 -12,-1.1 -0.890 26.6 159.5-105.2 131.2 18.2 56.7 53.8 57 58 A L E -DE 42 68A 14 11,-2.5 11,-1.9 -2,-0.5 -15,-0.3 -0.997 36.0-129.0-150.2 148.0 19.2 55.7 57.2 58 59 A Q E -DE 41 67A 10 -17,-3.7 -17,-2.5 -2,-0.3 2,-0.3 -0.650 26.6-174.6 -90.1 156.0 21.8 56.3 60.0 59 60 A K E - E 0 66A 22 7,-2.5 7,-2.9 -2,-0.2 2,-0.4 -0.896 26.6-125.2-155.3 124.4 23.6 53.4 61.6 60 61 A W E + E 0 65A 60 -21,-0.5 2,-0.4 -26,-0.4 5,-0.2 -0.512 44.0 167.2 -68.4 121.2 26.0 53.2 64.5 61 62 A E E > - E 0 64A 71 3,-2.8 3,-2.9 -2,-0.4 -2,-0.1 -1.000 52.5 -14.7-142.9 140.9 29.2 51.5 63.2 62 63 A N T 3 S- 0 0 168 -2,-0.4 -1,-0.1 1,-0.3 3,-0.1 0.715 131.1 -40.4 43.8 33.4 32.7 50.9 64.4 63 64 A G T 3 S+ 0 0 50 1,-0.2 2,-0.3 0, 0.0 -1,-0.3 0.293 125.2 61.5 106.1 -12.2 32.4 53.6 67.1 64 65 A E E < S-E 61 0A 110 -3,-2.9 -3,-2.8 -5,-0.1 2,-0.6 -0.979 87.1 -90.1-148.1 161.2 30.5 56.4 65.3 65 66 A a E -E 60 0A 39 -2,-0.3 2,-0.4 -5,-0.2 -5,-0.3 -0.573 45.8-164.7 -76.4 115.9 27.1 57.1 63.7 66 67 A A E -E 59 0A 17 -7,-2.9 -7,-2.5 -2,-0.6 2,-0.1 -0.848 15.3-132.3-106.4 132.7 27.4 56.3 60.0 67 68 A Q E -E 58 0A 99 -2,-0.4 2,-0.3 -9,-0.2 -9,-0.2 -0.476 29.1-174.0 -71.3 149.9 25.0 57.4 57.2 68 69 A K E -E 57 0A 78 -11,-1.9 -11,-2.5 -2,-0.1 2,-0.4 -0.987 16.8-149.3-148.0 149.1 23.9 54.6 54.8 69 70 A K E -E 56 0A 124 -2,-0.3 2,-0.4 -13,-0.2 -13,-0.2 -0.987 17.2-172.8-125.0 126.3 21.8 54.4 51.6 70 71 A I E -E 55 0A 46 -15,-3.1 -15,-3.6 -2,-0.4 2,-0.5 -0.917 14.0-150.9-123.9 146.4 19.8 51.4 50.6 71 72 A I E -E 54 0A 59 -2,-0.4 13,-1.0 -17,-0.3 2,-0.6 -0.960 7.0-168.5-118.0 120.1 17.8 50.3 47.5 72 73 A A E -EF 53 83A 0 -19,-3.0 -19,-3.4 -2,-0.5 2,-0.4 -0.952 20.1-138.8-105.5 115.9 14.8 48.1 47.8 73 74 A E E - F 0 82A 83 9,-2.9 9,-2.3 -2,-0.6 -21,-0.1 -0.617 20.1-116.3 -79.1 126.2 13.6 46.8 44.4 74 75 A K E - F 0 81A 100 -2,-0.4 2,-0.2 7,-0.2 7,-0.2 -0.095 30.6-164.6 -52.2 157.7 9.9 46.7 43.8 75 76 A T - 0 0 58 5,-0.9 5,-0.2 2,-0.6 -1,-0.1 -0.766 44.1 -79.2-133.5-179.8 8.2 43.3 43.2 76 77 A K S S+ 0 0 213 -2,-0.2 3,-0.1 3,-0.1 5,-0.1 0.815 115.2 74.3 -60.7 -24.5 4.8 42.3 41.8 77 78 A I S > S- 0 0 98 3,-0.2 3,-2.1 1,-0.2 -2,-0.6 -0.784 80.6-142.9 -93.6 124.4 3.2 43.2 45.1 78 79 A P T 3 S+ 0 0 86 0, 0.0 -1,-0.2 0, 0.0 -3,-0.1 0.864 98.0 44.0 -47.0 -47.7 3.0 47.0 45.5 79 80 A A T 3 S+ 0 0 2 -73,-0.1 14,-2.2 -3,-0.1 2,-0.5 0.393 102.6 79.9 -87.1 7.5 3.8 47.0 49.3 80 81 A V E < + G 0 92A 9 -3,-2.1 -5,-0.9 12,-0.2 2,-0.3 -0.963 52.4 168.4-121.8 128.9 6.6 44.4 49.1 81 82 A F E -FG 74 91A 4 10,-2.3 10,-3.4 -2,-0.5 2,-0.5 -0.878 24.2-138.6-129.0 159.2 10.2 45.2 48.0 82 83 A K E -FG 73 90A 78 -9,-2.3 -9,-2.9 -2,-0.3 2,-0.6 -0.982 13.8-140.2-122.7 120.1 13.5 43.3 48.1 83 84 A I E -FG 72 89A 24 6,-1.7 2,-0.6 -2,-0.5 6,-0.5 -0.762 32.8-107.5 -87.3 126.2 16.7 45.0 49.1 84 85 A D S S+ 0 0 70 -13,-1.0 2,-0.3 -2,-0.6 -13,-0.1 -0.240 73.8 83.0 -43.4 86.0 19.7 43.8 47.0 85 86 A A S S- 0 0 79 -2,-0.6 3,-0.4 4,-0.1 2,-0.2 -0.916 71.3 -42.1-168.3-164.1 21.9 41.6 49.2 86 87 A L S S+ 0 0 137 -2,-0.3 0, 0.0 1,-0.2 0, 0.0 -0.554 107.5 14.8 -84.1 144.5 22.9 38.3 50.8 87 88 A N S S- 0 0 109 -2,-0.2 -1,-0.2 21,-0.0 0, 0.0 0.212 114.4 -91.5 80.9 -10.0 20.6 35.8 52.5 88 89 A E - 0 0 104 -3,-0.4 21,-0.5 1,-0.1 2,-0.4 0.791 47.8-163.2 74.7 119.0 17.5 37.4 50.9 89 90 A N E -GH 83 108A 29 -6,-0.5 -6,-1.7 19,-0.2 2,-0.3 -0.960 2.1-158.7-143.8 124.2 15.7 40.2 52.7 90 91 A K E -GH 82 107A 61 17,-2.5 17,-2.2 -2,-0.4 2,-0.5 -0.772 6.2-149.3-103.7 136.1 12.2 41.6 52.1 91 92 A V E -GH 81 106A 7 -10,-3.4 -10,-2.3 -2,-0.3 2,-0.4 -0.913 15.5-167.3-106.7 129.4 10.7 44.9 53.1 92 93 A L E -GH 80 105A 5 13,-3.0 13,-2.7 -2,-0.5 2,-0.7 -0.969 15.2-149.4-121.2 126.8 6.9 45.1 53.8 93 94 A V E + H 0 104A 2 -14,-2.2 -87,-1.8 -2,-0.4 11,-0.3 -0.859 17.8 179.2 -91.8 114.2 4.8 48.2 54.2 94 95 A L E - 0 0 2 9,-2.4 2,-0.3 -2,-0.7 10,-0.2 0.853 59.2 -18.1 -85.2 -42.3 2.0 47.3 56.7 95 96 A D E + H 0 103A 29 8,-1.5 8,-2.4 -89,-0.1 2,-0.3 -0.948 61.8 161.7-168.1 143.4 0.0 50.6 56.9 96 97 A T E - H 0 102A 9 -2,-0.3 6,-0.2 6,-0.2 -82,-0.0 -0.994 34.2-158.9-164.5 157.3 0.4 54.3 56.3 97 98 A D - 0 0 56 4,-1.4 2,-1.3 -2,-0.3 5,-0.1 0.226 45.4-132.2-121.5 8.7 -1.4 57.6 55.8 98 99 A Y S S+ 0 0 28 3,-0.7 4,-0.1 1,-0.2 -2,-0.0 -0.039 95.8 53.8 71.4 -31.1 1.6 59.1 54.0 99 100 A K S S+ 0 0 121 -2,-1.3 -1,-0.2 2,-0.1 3,-0.1 0.516 118.3 21.6-115.5 -9.5 1.5 62.3 56.0 100 101 A K S S- 0 0 102 1,-0.4 23,-1.9 23,-0.1 24,-0.3 0.657 118.5 -4.9-122.5 -60.6 1.6 61.1 59.7 101 102 A Y E - I 0 122A 18 21,-0.2 -4,-1.4 22,-0.1 -3,-0.7 -0.831 42.0-159.8-137.8 173.4 2.9 57.6 60.0 102 103 A L E -HI 96 121A 2 19,-1.9 19,-3.0 -2,-0.3 2,-0.5 -0.831 6.0-161.6-156.9 120.6 4.2 54.5 58.4 103 104 A L E +HI 95 120A 2 -8,-2.4 -9,-2.4 -2,-0.3 -8,-1.5 -0.929 25.3 160.3 -97.3 119.7 4.5 50.9 59.8 104 105 A F E -HI 93 119A 20 15,-1.3 15,-1.9 -2,-0.5 2,-0.3 -0.999 20.1-156.4-146.0 146.7 6.9 48.7 57.8 105 106 A b E -HI 92 118A 3 -13,-2.7 -13,-3.0 -2,-0.3 2,-0.4 -0.755 5.8-149.0-117.0 157.6 8.7 45.4 58.6 106 107 A M E +HI 91 117A 37 11,-2.9 11,-2.0 -2,-0.3 2,-0.4 -0.985 20.8 173.0-132.2 126.9 11.8 43.7 57.3 107 108 A E E -HI 90 116A 10 -17,-2.2 -17,-2.5 -2,-0.4 2,-0.7 -0.989 32.7-128.5-134.4 138.8 12.2 39.9 57.3 108 109 A N E -H 89 0A 36 7,-0.5 3,-0.3 -2,-0.4 -19,-0.2 -0.808 41.8-121.8 -87.2 120.2 14.8 37.5 55.9 109 110 A S S S+ 0 0 21 -2,-0.7 2,-0.2 -21,-0.5 -1,-0.0 -0.279 80.7 59.6 -68.1 144.2 12.8 35.0 53.8 110 111 A A S S- 0 0 100 -2,-0.0 -1,-0.2 3,-0.0 -22,-0.0 -0.737 131.3 -22.4 145.2 -80.2 12.8 31.2 54.4 111 112 A E S > S- 0 0 166 -3,-0.3 2,-2.5 -2,-0.2 3,-0.8 -0.493 78.1-169.9-148.1 60.5 11.5 30.7 58.0 112 113 A P G > + 0 0 12 0, 0.0 3,-2.0 0, 0.0 -4,-0.3 0.137 50.9 115.1 -57.0 20.3 12.4 34.2 59.2 113 114 A E G 3 S+ 0 0 90 -2,-2.5 3,-0.2 1,-0.3 -87,-0.1 0.885 84.5 52.0 -58.7 -32.4 11.8 33.7 62.9 114 115 A Q G < S+ 0 0 163 -3,-0.8 -1,-0.3 1,-0.2 2,-0.0 -0.186 116.4 48.9 -87.9 38.3 15.5 34.3 63.1 115 116 A S < + 0 0 10 -3,-2.0 -7,-0.5 1,-0.1 2,-0.2 -0.324 69.6 108.5-177.1 92.8 14.8 37.5 61.1 116 117 A L E + I 0 107A 1 -9,-0.2 -90,-1.6 -3,-0.2 2,-0.3 -0.734 20.0 164.2-170.5 124.8 12.2 40.2 61.6 117 118 A A E -BI 25 106A 12 -11,-2.0 -11,-2.9 -92,-0.2 2,-0.3 -0.995 12.9-167.2-137.7 137.5 12.2 43.8 62.7 118 119 A b E -BI 24 105A 0 -94,-2.5 -94,-2.7 -2,-0.3 2,-0.3 -0.878 3.4-162.1-124.0 155.1 9.5 46.4 62.4 119 120 A Q E -BI 23 104A 15 -15,-1.9 -15,-1.3 -2,-0.3 2,-0.5 -0.912 18.7-135.6-133.7 157.4 9.5 50.2 62.9 120 121 A C E -BI 22 103A 0 -98,-1.9 -99,-1.6 -2,-0.3 -98,-0.8 -0.907 26.3-162.9-116.3 97.0 7.0 53.0 63.4 121 122 A L E -BI 20 102A 0 -19,-3.0 -19,-1.9 -2,-0.5 2,-0.3 -0.606 8.6-176.2 -77.0 129.3 8.0 55.9 61.1 122 123 A V E -BI 19 101A 2 -103,-2.4 -103,-3.9 -2,-0.3 -21,-0.2 -0.897 28.2-135.2-122.5 162.8 6.5 59.2 61.9 123 124 A R S S+ 0 0 45 -23,-1.9 -22,-0.1 -2,-0.3 -1,-0.1 0.799 87.8 43.7 -84.2 -31.5 6.8 62.5 60.0 124 125 A T S S- 0 0 69 -24,-0.3 2,-1.0 2,-0.1 -105,-0.2 -0.781 87.6-112.9-114.6 159.2 7.5 64.8 63.0 125 126 A P S S+ 0 0 37 0, 0.0 2,-0.3 0, 0.0 30,-0.1 -0.235 82.5 108.3 -86.9 46.9 9.7 64.3 66.0 126 127 A E S S- 0 0 132 -2,-1.0 2,-0.7 25,-0.1 -2,-0.1 -0.839 80.4-104.7-113.2 153.4 6.8 64.1 68.4 127 128 A V - 0 0 75 -2,-0.3 2,-0.8 1,-0.0 24,-0.0 -0.727 34.3-160.1 -86.2 123.7 5.5 61.0 70.1 128 129 A D > - 0 0 39 -2,-0.7 4,-2.7 1,-0.2 5,-0.2 -0.839 11.7-174.1-103.8 102.8 2.4 59.9 68.3 129 130 A D H > S+ 0 0 112 -2,-0.8 4,-2.7 1,-0.2 -1,-0.2 0.935 84.8 57.3 -64.6 -42.7 0.3 57.7 70.5 130 131 A E H > S+ 0 0 150 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.904 111.5 43.7 -51.6 -48.3 -2.2 56.9 67.7 131 132 A A H > S+ 0 0 1 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.931 110.1 55.1 -61.7 -50.3 0.7 55.6 65.6 132 133 A L H X S+ 0 0 18 -4,-2.7 4,-2.7 1,-0.2 -2,-0.2 0.888 106.8 52.9 -52.4 -38.9 2.3 53.7 68.5 133 134 A E H X S+ 0 0 94 -4,-2.7 4,-3.0 1,-0.2 5,-0.2 0.972 107.0 48.4 -64.8 -50.6 -1.0 51.9 69.0 134 135 A K H X S+ 0 0 96 -4,-1.8 4,-2.0 1,-0.2 -1,-0.2 0.807 113.7 50.6 -58.8 -29.1 -1.4 50.7 65.4 135 136 A F H X S+ 0 0 1 -4,-1.9 4,-1.7 2,-0.2 -1,-0.2 0.936 111.4 45.7 -70.3 -48.2 2.2 49.6 65.7 136 137 A D H X S+ 0 0 50 -4,-2.7 4,-0.7 1,-0.2 -2,-0.2 0.856 114.7 48.7 -66.9 -35.6 1.6 47.7 68.9 137 138 A K H >< S+ 0 0 123 -4,-3.0 3,-0.5 2,-0.2 4,-0.5 0.906 109.9 51.2 -66.9 -45.5 -1.6 46.2 67.4 138 139 A A H 3< S+ 0 0 23 -4,-2.0 3,-0.4 1,-0.2 4,-0.3 0.808 112.9 45.6 -60.6 -34.8 0.2 45.1 64.2 139 140 A L H >< S+ 0 0 13 -4,-1.7 3,-0.5 1,-0.2 5,-0.3 0.609 85.7 97.0 -86.2 -18.5 2.9 43.4 66.2 140 141 A K T << S+ 0 0 166 -4,-0.7 -1,-0.2 -3,-0.5 -2,-0.2 0.827 92.2 36.5 -41.3 -48.8 0.5 41.7 68.5 141 142 A A T 3 S+ 0 0 66 -4,-0.5 -1,-0.3 -3,-0.4 -2,-0.1 0.828 102.2 98.5 -75.6 -30.0 0.5 38.5 66.5 142 143 A L S < S- 0 0 19 -3,-0.5 2,-1.7 -4,-0.3 -140,-0.0 -0.260 81.4-121.4 -66.2 140.1 4.2 38.9 65.8 143 144 A P + 0 0 41 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 -0.434 51.2 160.6 -84.5 62.8 6.9 37.0 67.8 144 145 A M + 0 0 37 -2,-1.7 -118,-0.3 -5,-0.3 3,-0.1 -0.568 22.9 174.0 -91.1 143.5 8.8 40.1 69.0 145 146 A H + 0 0 118 -120,-3.0 2,-0.3 1,-0.3 -119,-0.2 0.422 67.1 47.8-132.8 -3.6 11.1 40.0 72.0 146 147 A I E +C 25 0A 23 -121,-1.5 -121,-1.8 -119,-0.1 2,-0.4 -0.997 58.3 179.4-137.3 138.8 12.7 43.5 72.0 147 148 A R E -C 24 0A 98 -2,-0.3 2,-0.3 -123,-0.2 -123,-0.2 -0.944 5.6-167.7-143.0 120.4 11.0 46.8 71.6 148 149 A L E -C 23 0A 39 -125,-2.8 -125,-2.5 -2,-0.4 2,-0.3 -0.786 2.2-171.5-108.7 155.0 12.5 50.3 71.5 149 150 A S E -C 22 0A 61 -2,-0.3 2,-0.3 -127,-0.3 -127,-0.2 -0.993 10.2-152.9-142.3 129.9 10.9 53.7 71.8 150 151 A F - 0 0 18 -129,-2.8 10,-0.0 -2,-0.3 3,-0.0 -0.793 8.6-132.6-116.3 155.2 12.6 57.1 71.3 151 152 A N > - 0 0 68 -2,-0.3 4,-2.3 9,-0.1 5,-0.2 -0.588 32.2-102.7 -99.9 165.3 11.8 60.5 72.6 152 153 A P H > S+ 0 0 57 0, 0.0 4,-1.4 0, 0.0 5,-0.2 0.905 121.8 53.1 -50.9 -47.3 11.7 63.8 70.7 153 154 A T H >4 S+ 0 0 97 1,-0.3 3,-0.9 2,-0.2 8,-0.1 0.949 111.5 44.9 -50.8 -56.7 15.1 64.8 72.0 154 155 A Q H >4 S+ 0 0 54 1,-0.2 3,-1.4 2,-0.2 6,-0.3 0.855 108.3 59.3 -55.8 -37.4 16.7 61.6 70.8 155 156 A L H 3< S+ 0 0 8 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.743 102.1 52.4 -68.7 -25.5 14.8 61.9 67.5 156 157 A E T << S+ 0 0 121 -4,-1.4 2,-0.3 -3,-0.9 -1,-0.3 0.197 101.7 84.1 -93.1 18.2 16.5 65.2 66.7 157 158 A E S X S- 0 0 85 -3,-1.4 3,-1.7 -5,-0.2 2,-0.2 -0.894 91.1-100.4-120.2 147.5 19.9 63.6 67.4 158 159 A Q G > S- 0 0 105 -2,-0.3 3,-1.1 1,-0.3 -93,-0.1 -0.515 109.3 -0.5 -69.9 135.4 22.1 61.5 65.1 159 160 A a G 3 S- 0 0 2 1,-0.2 -1,-0.3 -2,-0.2 -4,-0.1 0.673 120.9 -83.1 55.8 24.1 21.6 57.8 65.8 160 161 A H G < 0 0 19 -3,-1.7 -1,-0.2 -6,-0.3 -5,-0.1 0.898 360.0 360.0 53.0 49.6 19.1 58.9 68.5 161 162 A I < 0 0 119 -3,-1.1 -7,-0.2 -7,-0.3 -2,-0.1 0.988 360.0 360.0 -77.4 360.0 21.8 59.5 71.1