==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=6-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER SIGNALING PROTEIN 07-MAY-07 2Z0P . COMPND 2 MOLECULE: TYROSINE-PROTEIN KINASE BTK; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR K.MURAYAMA,M.KATO-MURAYAMA,C.MISHIMA,M.SHIROUZU,S.YOKOYAMA, . 635 9 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 33224.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 385 60.6 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 . 182 28.7 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 7 1.1 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 . 12 1.9 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 . 68 10.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 46 7.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 70 11.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 0.6 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 3 0 0 0 0 0 0 0 0 0 1 3 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 . 4 8 0 5 3 3 5 4 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 . 4 0 0 0 0 4 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 2 A A 0 0 35 0, 0.0 607,-0.3 0, 0.0 606,-0.1 0.000 360.0 360.0 360.0 104.3 -5.0 30.9 74.4 2 3 A A - 0 0 33 605,-2.2 2,-0.9 1,-0.1 31,-0.4 -0.187 360.0-118.5 -63.3 148.5 -5.4 33.6 77.0 3 4 A V - 0 0 55 1,-0.2 29,-0.2 29,-0.1 3,-0.1 -0.807 26.7-174.3 -90.7 107.9 -7.9 33.5 79.8 4 5 A I + 0 0 37 27,-2.7 2,-0.3 -2,-0.9 -1,-0.2 0.953 69.6 5.0 -67.0 -52.0 -10.1 36.5 79.3 5 6 A L E -A 31 0A 23 26,-1.1 26,-2.3 2,-0.0 2,-0.3 -0.972 57.0-174.4-137.6 152.3 -12.1 36.0 82.5 6 7 A E E +A 30 0A 50 -2,-0.3 2,-0.3 24,-0.2 235,-0.3 -0.877 22.8 148.8-149.2 111.1 -12.0 33.7 85.5 7 8 A S E -A 29 0A 4 22,-1.7 22,-3.2 -2,-0.3 2,-0.6 -0.867 45.7-116.0-138.6 170.3 -14.6 33.7 88.2 8 9 A I E +A 28 0A 0 -2,-0.3 2,-0.2 20,-0.2 20,-0.2 -0.956 46.8 164.0-110.8 111.9 -16.4 31.5 90.7 9 10 A F E -A 27 0A 0 18,-2.0 18,-2.7 -2,-0.6 2,-0.4 -0.680 37.4-116.4-120.8 177.1 -20.1 31.4 89.9 10 11 A L E -AB 26 105A 2 95,-2.1 95,-4.2 16,-0.2 2,-0.3 -0.940 34.2-166.7-115.2 135.8 -23.1 29.3 90.8 11 12 A K E -AB 25 104A 19 14,-2.1 14,-1.9 -2,-0.4 2,-0.3 -0.958 18.5-130.2-131.0 149.7 -24.8 27.3 88.0 12 13 A R E -A 24 0A 10 91,-1.4 91,-0.3 -2,-0.3 12,-0.2 -0.648 41.5 -98.7 -90.4 147.1 -28.0 25.4 87.5 13 14 A S - 0 0 27 10,-1.5 -1,-0.1 -2,-0.3 90,-0.1 -0.424 22.0-138.9 -64.4 139.9 -27.8 21.8 86.1 14 15 A Q - 0 0 20 -2,-0.1 -1,-0.2 88,-0.1 8,-0.1 0.476 25.2-142.4 -78.4 -1.0 -28.5 21.8 82.3 15 16 A Q + 0 0 52 6,-0.3 5,-0.1 1,-0.1 7,-0.1 0.839 41.1 159.7 40.5 43.9 -30.5 18.7 82.9 16 17 A K + 0 0 124 3,-0.1 -1,-0.1 83,-0.0 4,-0.1 0.982 59.5 55.1 -55.1 -56.7 -29.3 17.3 79.6 17 18 A K S S- 0 0 131 1,-0.1 3,-0.4 2,-0.1 0, 0.0 -0.108 85.7-126.4 -71.0 170.2 -30.1 13.8 80.8 18 19 A K S S+ 0 0 178 1,-0.2 2,-1.9 0, 0.0 -1,-0.1 0.880 107.9 61.8 -81.8 -44.2 -33.6 12.6 82.0 19 20 A T S S+ 0 0 115 2,-0.0 -1,-0.2 -3,-0.0 -2,-0.1 -0.288 84.2 115.3 -78.1 50.7 -32.0 11.3 85.2 20 21 A S - 0 0 32 -2,-1.9 2,-0.0 -3,-0.4 -7,-0.0 -0.979 56.7-138.8-132.8 128.0 -30.8 14.7 86.3 21 22 A P - 0 0 81 0, 0.0 2,-1.2 0, 0.0 -6,-0.3 -0.277 25.8-114.9 -73.6 160.5 -31.8 16.8 89.3 22 23 A L + 0 0 60 -10,-0.1 2,-0.2 -8,-0.1 -10,-0.0 -0.615 64.8 144.7 -96.4 71.9 -32.4 20.6 89.2 23 24 A N - 0 0 59 -2,-1.2 -10,-1.5 2,-0.0 2,-0.4 -0.722 43.9-128.2-112.9 162.7 -29.5 21.4 91.5 24 25 A F E -A 12 0A 48 -2,-0.2 2,-0.4 -12,-0.2 -12,-0.2 -0.877 20.9-172.6-112.7 140.2 -26.9 24.2 91.8 25 26 A K E -A 11 0A 82 -14,-1.9 -14,-2.1 -2,-0.4 2,-0.4 -0.975 26.9-120.9-133.1 144.1 -23.1 23.9 92.0 26 27 A K E +A 10 0A 3 -2,-0.4 15,-0.4 -16,-0.2 2,-0.3 -0.696 43.9 172.7 -79.9 130.0 -20.2 26.3 92.7 27 28 A R E -A 9 0A 7 -18,-2.7 -18,-2.0 -2,-0.4 2,-0.6 -0.946 36.3-120.2-138.2 158.0 -17.9 26.2 89.7 28 29 A L E -AC 8 39A 3 11,-3.0 11,-2.0 -2,-0.3 2,-0.4 -0.895 32.6-154.8 -98.8 117.4 -14.8 28.0 88.4 29 30 A F E -AC 7 38A 2 -22,-3.2 -22,-1.7 -2,-0.6 2,-0.4 -0.787 10.9-172.1 -98.5 137.3 -15.5 29.6 85.0 30 31 A L E -AC 6 37A 14 7,-2.4 7,-2.0 -2,-0.4 2,-0.5 -0.975 6.6-158.9-123.2 138.8 -12.8 30.4 82.5 31 32 A L E +AC 5 36A 0 -26,-2.3 -27,-2.7 -2,-0.4 -26,-1.1 -0.967 17.5 164.8-124.3 116.0 -13.5 32.3 79.3 32 33 A T - 0 0 25 3,-2.9 -29,-0.1 -2,-0.5 25,-0.0 -0.737 54.3-102.0-115.2 171.2 -11.1 32.0 76.3 33 34 A V S S+ 0 0 2 -31,-0.4 3,-0.1 -2,-0.3 -30,-0.1 0.754 123.2 42.7 -66.5 -18.9 -12.1 33.2 72.8 34 35 A H S S+ 0 0 10 1,-0.2 23,-3.4 23,-0.1 24,-0.4 0.822 120.9 13.4 -95.4 -37.1 -12.6 29.5 72.0 35 36 A K E - D 0 56A 67 21,-0.3 -3,-2.9 22,-0.1 2,-0.6 -0.979 45.4-147.5-146.9 158.5 -14.5 28.2 75.0 36 37 A L E +CD 31 55A 4 19,-2.2 19,-1.1 -2,-0.3 2,-0.3 -0.982 39.9 170.2-118.0 109.0 -16.4 28.9 78.1 37 38 A S E -CD 30 54A 12 -7,-2.0 -7,-2.4 -2,-0.6 2,-0.4 -0.929 20.8-152.3-128.4 154.1 -15.6 26.0 80.5 38 39 A Y E -CD 29 53A 10 15,-1.6 14,-3.1 -2,-0.3 15,-1.7 -0.970 10.7-175.9-129.8 142.8 -16.2 25.3 84.1 39 40 A Y E -CD 28 51A 28 -11,-2.0 -11,-3.0 -2,-0.4 2,-0.3 -0.805 36.5 -95.9-127.7 166.1 -14.4 23.2 86.7 40 41 A E E - 0 0 76 10,-1.9 9,-4.5 -2,-0.3 2,-0.6 -0.629 46.0-127.0 -77.9 141.1 -14.8 22.1 90.3 41 42 A Y E - D 0 48A 3 -15,-0.4 2,-1.6 -2,-0.3 7,-0.2 -0.846 6.1-144.5-100.3 122.4 -12.8 24.5 92.4 42 43 A D E >> - D 0 47A 34 5,-2.4 4,-1.8 -2,-0.6 5,-1.7 -0.662 20.8-177.1 -83.6 86.3 -10.3 22.9 94.8 43 44 A F T 45S+ 0 0 7 -2,-1.6 -1,-0.2 3,-0.2 5,-0.0 0.875 75.2 51.5 -51.3 -48.7 -10.7 25.4 97.7 44 45 A E T 45S+ 0 0 63 1,-0.2 -1,-0.2 -3,-0.1 -2,-0.1 0.987 117.4 34.8 -55.4 -68.3 -8.0 23.9 99.9 45 46 A R T 45S- 0 0 157 2,-0.1 -1,-0.2 1,-0.1 -2,-0.2 0.709 108.0-127.7 -61.5 -20.6 -5.2 23.8 97.4 46 47 A G T <5S+ 0 0 12 -4,-1.8 2,-0.3 1,-0.3 -3,-0.2 0.930 70.8 98.4 72.3 45.1 -6.5 27.0 95.9 47 48 A R E -D 35 0A 72 -2,-0.3 3,-1.6 -21,-0.2 4,-0.3 -0.556 20.7-134.9 -70.0 133.2 -17.5 25.9 72.3 57 58 A V G > S+ 0 0 1 -23,-3.4 3,-1.6 -2,-0.3 -1,-0.1 0.841 102.1 63.6 -61.1 -31.4 -17.8 29.7 71.8 58 59 A E G 3 S+ 0 0 83 -24,-0.4 -1,-0.3 1,-0.3 69,-0.2 0.668 97.3 59.0 -67.6 -13.2 -18.9 29.3 68.2 59 60 A K G < S+ 0 0 80 -3,-1.6 39,-0.7 67,-0.1 2,-0.4 0.527 82.1 102.6 -90.4 -7.3 -22.0 27.4 69.4 60 61 A I E < +E 97 0A 1 -3,-1.6 37,-0.2 -4,-0.3 3,-0.1 -0.638 38.4 170.1 -80.5 127.5 -23.2 30.4 71.5 61 62 A T E + 0 0 35 35,-2.4 69,-2.0 -2,-0.4 2,-0.3 0.587 64.7 12.9-110.2 -15.0 -26.0 32.3 69.9 62 63 A C E -E 96 0A 6 34,-1.3 34,-3.3 67,-0.2 2,-0.4 -0.963 49.1-172.6-164.4 142.7 -27.0 34.6 72.8 63 64 A V E +E 95 0A 1 -2,-0.3 2,-0.3 32,-0.2 32,-0.2 -0.996 30.5 132.6-138.0 131.0 -25.9 35.9 76.2 64 65 A E E -E 94 0A 33 30,-1.9 30,-4.0 -2,-0.4 -2,-0.0 -0.979 52.8 -86.2-167.5 167.4 -28.0 38.0 78.5 65 66 A T E -E 93 0A 56 28,-0.3 28,-0.3 -2,-0.3 2,-0.3 0.011 39.8-143.7 -69.2-171.3 -29.3 38.5 82.0 66 67 A V - 0 0 3 26,-1.1 70,-0.2 27,-0.1 71,-0.0 -0.868 25.3 -94.4-164.1 123.9 -32.4 36.6 83.2 67 68 A V - 0 0 80 68,-2.1 70,-0.4 -2,-0.3 3,-0.1 -0.053 52.7-109.2 -39.5 130.4 -35.3 37.6 85.5 68 69 A P - 0 0 68 0, 0.0 -1,-0.1 0, 0.0 69,-0.1 -0.213 35.2 -93.8 -63.9 152.8 -34.5 36.3 89.1 69 70 A E - 0 0 45 1,-0.1 67,-0.0 7,-0.1 7,-0.0 -0.413 31.5-131.7 -65.6 146.4 -36.4 33.5 90.6 70 71 A K S S+ 0 0 182 1,-0.3 -1,-0.1 -3,-0.1 -3,-0.0 0.827 100.3 32.4 -71.9 -30.4 -39.3 34.8 92.7 71 72 A N S S+ 0 0 143 6,-0.0 -1,-0.3 0, 0.0 6,-0.1 -0.586 81.0 176.8-127.9 70.6 -38.5 32.7 95.7 72 73 A P - 0 0 26 0, 0.0 5,-0.1 0, 0.0 6,-0.0 -0.480 32.6-114.0 -75.6 138.0 -34.7 32.2 95.8 73 74 A P > - 0 0 55 0, 0.0 3,-2.1 0, 0.0 4,-0.5 -0.140 40.3 -96.5 -61.8 170.2 -33.1 30.3 98.7 74 75 A P G > S+ 0 0 91 0, 0.0 3,-1.0 0, 0.0 0, 0.0 0.852 125.6 69.6 -57.9 -29.2 -30.8 32.4 101.0 75 76 A E G 3 S+ 0 0 66 1,-0.2 14,-1.6 13,-0.1 131,-0.0 0.713 113.0 25.8 -59.4 -23.5 -28.0 31.1 98.8 76 77 A R G < S+ 0 0 20 -3,-2.1 2,-0.3 12,-0.2 -1,-0.2 0.188 92.5 121.1-127.8 16.3 -29.3 33.2 95.9 77 78 A Q < 0 0 88 -3,-1.0 14,-0.1 -4,-0.5 -6,-0.0 -0.638 360.0 360.0 -86.5 140.3 -31.2 36.1 97.6 78 79 A I 0 0 137 -2,-0.3 -1,-0.1 12,-0.2 13,-0.0 0.829 360.0 360.0 -65.3 360.0 -30.1 39.7 96.9 79 ! 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 80 89 A M >> 0 0 125 0, 0.0 4,-2.0 0, 0.0 3,-0.8 0.000 360.0 360.0 360.0 141.4 -17.6 41.1 104.6 81 90 A E H 3> + 0 0 128 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.823 360.0 65.6 -47.9 -48.8 -16.8 40.9 100.9 82 91 A Q H 34 S+ 0 0 7 1,-0.2 -1,-0.2 2,-0.2 4,-0.1 0.901 115.4 29.6 -45.2 -49.1 -14.2 38.1 101.0 83 92 A I H X4 S+ 0 0 7 -3,-0.8 3,-1.8 83,-0.2 -2,-0.2 0.944 118.9 51.3 -79.9 -49.9 -16.8 35.6 102.1 84 93 A S H >X S+ 0 0 49 -4,-2.0 4,-2.8 1,-0.3 3,-1.9 0.862 99.6 64.4 -58.8 -38.0 -20.0 36.9 100.6 85 94 A I T 3< S+ 0 0 28 -4,-2.6 -1,-0.3 1,-0.3 -77,-0.2 0.603 112.4 36.8 -63.8 -8.9 -18.6 37.1 97.1 86 95 A I T <4 S+ 0 0 0 -3,-1.8 -1,-0.3 -5,-0.2 -2,-0.2 0.228 123.3 41.1-124.8 13.5 -18.1 33.3 97.1 87 96 A E T <4 S+ 0 0 45 -3,-1.9 2,-0.5 1,-0.2 -2,-0.2 0.581 105.1 61.1-126.6 -32.3 -21.3 32.4 99.0 88 97 A R < + 0 0 99 -4,-2.8 -1,-0.2 -5,-0.2 -12,-0.2 -0.916 50.3 167.7-108.6 121.8 -24.0 34.7 97.6 89 98 A F + 0 0 0 -14,-1.6 -11,-0.1 -2,-0.5 19,-0.1 -0.762 17.5 143.1-134.5 84.3 -24.9 34.5 93.9 90 99 A P + 0 0 3 0, 0.0 -12,-0.2 0, 0.0 -1,-0.1 0.457 48.1 83.2-103.7 -1.6 -28.1 36.4 93.2 91 100 A Y E - F 0 106A 47 15,-2.0 15,-2.4 -14,-0.1 17,-0.1 -0.793 64.3-168.5-108.9 94.0 -27.5 38.0 89.8 92 101 A P E + F 0 105A 0 0, 0.0 -26,-1.1 0, 0.0 2,-0.3 -0.394 12.9 171.6 -83.5 154.6 -28.3 35.5 87.1 93 102 A F E -EF 65 104A 2 11,-2.0 11,-2.9 -28,-0.3 2,-0.4 -0.952 22.2-125.9-151.6 161.3 -27.5 35.5 83.3 94 103 A Q E -EF 64 103A 1 -30,-4.0 -30,-1.9 -2,-0.3 2,-0.6 -0.928 6.4-158.5-123.0 143.8 -27.9 33.0 80.5 95 104 A V E -EF 63 102A 0 7,-2.2 7,-2.0 -2,-0.4 2,-0.4 -0.941 25.5-157.3-116.2 102.7 -25.5 31.5 77.9 96 105 A V E +EF 62 101A 28 -34,-3.3 -35,-2.4 -2,-0.6 -34,-1.3 -0.682 25.9 143.1 -90.9 134.0 -27.7 30.2 75.1 97 106 A Y E -E 60 0A 8 3,-1.8 3,-0.3 -2,-0.4 -37,-0.2 -0.921 64.9 -66.7-153.6 175.8 -26.6 27.5 72.6 98 107 A D S S+ 0 0 74 -39,-0.7 2,-1.7 1,-0.3 54,-0.1 0.817 124.4 57.1 -36.9 -51.1 -27.9 24.5 70.7 99 108 A E S S- 0 0 90 1,-0.2 -1,-0.3 52,-0.1 -83,-0.0 -0.405 119.4 -93.4 -86.7 64.2 -28.4 22.5 73.9 100 109 A G - 0 0 3 -2,-1.7 -3,-1.8 -3,-0.3 2,-0.4 -0.096 68.4 -35.6 62.8-162.4 -30.7 24.9 75.7 101 110 A P E - F 0 96A 7 0, 0.0 2,-0.6 0, 0.0 -5,-0.2 -0.794 40.8-148.0-102.7 141.4 -29.6 27.5 78.1 102 111 A L E - F 0 95A 0 -7,-2.0 -7,-2.2 -2,-0.4 2,-0.4 -0.924 22.4-149.4-100.7 118.2 -26.8 27.4 80.7 103 112 A Y E - F 0 94A 4 -2,-0.6 -91,-1.4 -91,-0.3 2,-0.4 -0.780 15.3-172.9 -95.3 134.9 -27.8 29.5 83.7 104 113 A V E -BF 11 93A 1 -11,-2.9 -11,-2.0 -2,-0.4 2,-0.6 -0.989 12.0-151.7-131.3 133.1 -25.1 31.2 85.7 105 114 A F E -BF 10 92A 1 -95,-4.2 -95,-2.1 -2,-0.4 -2,-0.0 -0.909 10.7-161.1-111.7 119.0 -25.3 33.1 88.9 106 115 A S E - F 0 91A 0 -15,-2.4 -15,-2.0 -2,-0.6 -97,-0.1 -0.468 20.4-134.4 -89.0 160.9 -22.8 35.9 89.8 107 116 A P S S+ 0 0 10 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.829 88.4 29.4 -83.9 -36.7 -22.1 37.4 93.3 108 117 A T S > S- 0 0 51 -23,-0.1 4,-1.5 -17,-0.1 5,-0.1 -0.874 71.6-128.7-125.2 157.4 -22.2 41.0 92.2 109 118 A E H > S+ 0 0 119 -2,-0.3 4,-1.5 1,-0.2 5,-0.1 0.877 109.6 58.1 -70.3 -35.1 -24.0 43.0 89.5 110 119 A E H > S+ 0 0 146 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.927 106.2 48.6 -58.5 -46.0 -20.7 44.5 88.3 111 120 A L H > S+ 0 0 7 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.885 107.2 53.4 -62.9 -42.5 -19.2 41.1 87.6 112 121 A R H X S+ 0 0 29 -4,-1.5 4,-2.6 1,-0.2 -1,-0.2 0.831 109.3 52.2 -62.4 -30.6 -22.2 39.9 85.7 113 122 A K H X S+ 0 0 158 -4,-1.5 4,-2.1 2,-0.2 -2,-0.2 0.934 107.8 49.4 -70.7 -46.7 -21.8 43.0 83.6 114 123 A R H X S+ 0 0 92 -4,-2.1 4,-2.2 2,-0.2 -2,-0.2 0.930 116.0 43.9 -57.9 -46.0 -18.1 42.3 82.9 115 124 A W H X S+ 0 0 1 -4,-2.7 4,-2.9 2,-0.2 5,-0.3 0.959 112.4 49.4 -65.2 -52.2 -18.9 38.7 81.9 116 125 A I H X S+ 0 0 18 -4,-2.6 4,-0.9 1,-0.2 -1,-0.2 0.822 113.1 50.4 -57.8 -30.0 -22.0 39.6 79.7 117 126 A H H X S+ 0 0 101 -4,-2.1 4,-1.2 -5,-0.2 -1,-0.2 0.907 113.1 43.6 -75.2 -40.9 -19.8 42.2 78.0 118 127 A Q H X S+ 0 0 52 -4,-2.2 4,-1.6 1,-0.2 -2,-0.2 0.837 109.6 55.4 -73.3 -33.3 -16.9 39.9 77.3 119 128 A L H X S+ 0 0 0 -4,-2.9 4,-2.0 1,-0.2 -1,-0.2 0.821 106.2 54.1 -68.2 -28.5 -19.1 37.0 76.1 120 129 A K H X S+ 0 0 75 -4,-0.9 4,-0.9 -5,-0.3 -1,-0.2 0.838 105.3 52.0 -72.2 -34.7 -20.6 39.4 73.6 121 130 A N H < S+ 0 0 30 -4,-1.2 4,-0.3 2,-0.2 -2,-0.2 0.875 112.9 45.7 -68.5 -38.0 -17.2 40.3 72.2 122 131 A V H >< S+ 0 0 2 -4,-1.6 3,-1.0 1,-0.2 -2,-0.2 0.880 114.3 45.6 -73.0 -40.3 -16.3 36.7 71.7 123 132 A I H >< S+ 0 0 8 -4,-2.0 3,-3.0 1,-0.2 -1,-0.2 0.643 89.1 87.2 -78.6 -12.7 -19.6 35.7 70.1 124 133 A R T 3< S+ 0 0 153 -4,-0.9 -1,-0.2 1,-0.3 -2,-0.2 0.812 84.1 60.9 -53.0 -27.6 -19.4 38.8 68.0 125 134 A Y T < S+ 0 0 80 -3,-1.0 358,-2.0 -4,-0.3 -1,-0.3 0.373 81.2 107.6 -82.9 2.7 -17.4 36.4 65.7 126 135 A N < - 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