==== 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 LIGASE 24-APR-98 1BBW . COMPND 2 MOLECULE: PROTEIN (LYSYL-TRNA SYNTHETASE); . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR S.ONESTI,G.DESOGUS,A.BREVET,J.CHEN,P.PLATEAU,S.BLANQUET,P.BR . 469 5 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 24210.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 357 76.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 12 2.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 94 20.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 5 1.1 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 . 1 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 . 48 10.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 57 12.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 129 27.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 9 1.9 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 2 3 3 1 0 1 0 0 0 0 0 0 2 0 0 0 1 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 1 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 PARALLEL BRIDGES PER LADDER . 2 1 1 1 1 2 4 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 1 1 0 0 1 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 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 11 A V > 0 0 170 0, 0.0 3,-1.3 0, 0.0 4,-0.4 0.000 360.0 360.0 360.0 140.2 -29.8 99.3 74.0 2 12 A V T 3> + 0 0 82 1,-0.3 4,-0.8 2,-0.2 3,-0.3 0.488 360.0 93.2 -65.7 -3.6 -30.3 95.7 72.9 3 13 A D H >> S+ 0 0 117 1,-0.2 4,-1.3 2,-0.2 3,-1.0 0.922 82.9 50.1 -54.2 -47.7 -34.0 96.7 73.0 4 14 A L H <> S+ 0 0 48 -3,-1.3 4,-1.4 1,-0.2 -1,-0.2 0.793 98.6 66.7 -65.6 -27.5 -33.8 97.6 69.3 5 15 A N H 3> S+ 0 0 117 -4,-0.4 4,-0.5 -3,-0.3 -1,-0.2 0.793 102.0 47.0 -65.8 -28.6 -32.2 94.2 68.4 6 16 A N H XX S+ 0 0 62 -3,-1.0 4,-3.1 -4,-0.8 3,-0.9 0.860 103.5 63.4 -77.6 -37.8 -35.4 92.4 69.4 7 17 A E H 3X S+ 0 0 46 -4,-1.3 4,-1.8 1,-0.3 5,-0.4 0.856 102.3 50.2 -52.9 -37.3 -37.4 94.9 67.3 8 18 A L H 3X S+ 0 0 59 -4,-1.4 4,-0.8 2,-0.2 -1,-0.3 0.757 110.7 49.8 -72.6 -28.7 -35.5 93.6 64.3 9 19 A K H X S+ 0 0 54 -4,-3.1 4,-3.1 2,-0.2 3,-0.9 0.989 118.6 43.8 -61.7 -64.2 -40.1 90.8 65.8 11 21 A R H 3X S+ 0 0 7 -4,-1.8 4,-1.9 1,-0.3 5,-0.2 0.899 112.9 53.0 -52.0 -44.6 -40.8 93.2 62.9 12 22 A R H 3X S+ 0 0 141 -4,-0.8 4,-1.2 -5,-0.4 -1,-0.3 0.834 113.0 45.2 -62.1 -33.9 -38.7 91.0 60.5 13 23 A E H X S+ 0 0 88 -4,-1.6 4,-1.9 2,-0.2 3,-1.8 0.941 103.3 56.2 -75.6 -53.7 -46.0 86.5 58.0 18 28 A L H 3X S+ 0 0 32 -4,-2.5 4,-2.3 1,-0.3 -2,-0.2 0.792 102.8 58.7 -49.6 -30.0 -47.5 89.3 55.9 19 29 A R H 3< S+ 0 0 152 -4,-1.8 -1,-0.3 2,-0.2 -2,-0.2 0.815 104.6 49.8 -70.0 -32.0 -46.1 87.5 52.9 20 30 A E H <4 S+ 0 0 158 -3,-1.8 -2,-0.2 -4,-0.5 -1,-0.2 0.942 114.8 45.3 -67.6 -47.1 -48.1 84.5 53.8 21 31 A Q H < S- 0 0 134 -4,-1.9 2,-0.2 1,-0.0 -2,-0.2 0.799 121.6 -61.3 -67.8 -44.3 -51.3 86.5 54.2 22 32 A G S < S- 0 0 48 -4,-2.3 2,-0.7 -5,-0.2 3,-0.1 -0.827 87.9 -14.7-170.9-147.2 -51.3 88.8 51.1 23 33 A I - 0 0 131 -2,-0.2 -4,-0.1 1,-0.2 -3,-0.1 -0.778 54.2-157.9 -79.4 117.6 -49.5 91.5 49.3 24 34 A A S S+ 0 0 12 -2,-0.7 113,-0.2 1,-0.2 -1,-0.2 0.879 84.8 33.8 -64.8 -37.4 -47.1 92.7 51.9 25 35 A F S S- 0 0 97 111,-0.1 -1,-0.2 -3,-0.1 111,-0.1 -0.576 79.8-169.7-120.9 67.2 -46.6 96.1 50.3 26 36 A P - 0 0 22 0, 0.0 3,-0.1 0, 0.0 -4,-0.0 -0.259 13.2-174.4 -59.9 140.7 -49.8 97.2 48.7 27 37 A N + 0 0 134 1,-0.1 108,-0.0 3,-0.0 -2,-0.0 0.053 64.8 89.0-120.9 23.7 -49.6 100.3 46.4 28 38 A D + 0 0 82 107,-0.0 2,-0.3 2,-0.0 -1,-0.1 0.566 55.3 103.2 -98.3 -15.3 -53.4 100.5 45.8 29 39 A F - 0 0 20 -3,-0.1 2,-0.4 106,-0.0 31,-0.0 -0.584 50.6-170.1 -71.4 136.5 -54.5 102.7 48.7 30 40 A R - 0 0 160 -2,-0.3 29,-0.0 1,-0.1 -2,-0.0 -0.995 3.0-168.3-129.5 123.8 -55.2 106.3 47.6 31 41 A R - 0 0 101 -2,-0.4 28,-0.2 1,-0.1 3,-0.1 0.259 9.8-163.0 -83.2-150.2 -55.8 109.1 50.1 32 42 A D + 0 0 98 26,-1.5 2,-0.3 1,-0.5 27,-0.2 0.273 64.7 56.0 180.0 2.8 -57.1 112.6 49.2 33 43 A H - 0 0 39 25,-1.5 -1,-0.5 24,-0.0 27,-0.4 -0.991 57.0-155.4-148.7 144.9 -56.3 114.8 52.1 34 44 A T >> - 0 0 15 -2,-0.3 4,-1.9 25,-0.1 3,-0.8 -0.939 37.1-104.9-118.6 148.9 -53.1 115.8 54.0 35 45 A S H 3> S+ 0 0 0 -2,-0.4 4,-3.3 1,-0.3 3,-0.4 0.849 118.4 48.1 -33.9 -66.4 -53.2 117.0 57.6 36 46 A D H 3> S+ 0 0 72 1,-0.2 4,-2.8 2,-0.2 -1,-0.3 0.860 108.9 55.0 -48.0 -41.8 -52.5 120.7 56.9 37 47 A Q H <4 S+ 0 0 95 -3,-0.8 4,-0.4 1,-0.2 -1,-0.2 0.911 113.2 42.5 -58.6 -47.4 -55.3 120.7 54.2 38 48 A L H >X S+ 0 0 15 -4,-1.9 4,-1.4 -3,-0.4 3,-1.1 0.940 115.8 48.9 -64.1 -50.0 -57.7 119.4 56.8 39 49 A H H >X S+ 0 0 56 -4,-3.3 4,-3.1 1,-0.3 3,-1.7 0.979 109.2 50.2 -55.5 -62.0 -56.5 121.7 59.5 40 50 A A H 3< S+ 0 0 99 -4,-2.8 -1,-0.3 1,-0.3 -2,-0.2 0.568 121.4 36.3 -56.8 -8.9 -56.6 124.9 57.5 41 51 A E H <4 S+ 0 0 124 -3,-1.1 -1,-0.3 -4,-0.4 -2,-0.2 0.472 131.7 22.4-123.8 -3.7 -60.1 124.1 56.4 42 52 A F H X< S+ 0 0 56 -3,-1.7 3,-1.9 -4,-1.4 -3,-0.2 0.551 86.8 98.4-135.6 -19.0 -61.7 122.5 59.5 43 53 A D T 3< S+ 0 0 88 -4,-3.1 -3,-0.1 -5,-0.5 -4,-0.1 0.667 88.8 51.0 -47.4 -23.4 -59.6 123.6 62.6 44 54 A G T 3 S+ 0 0 82 -5,-0.3 2,-0.5 2,-0.1 -1,-0.3 -0.065 86.4 93.9-109.8 31.4 -62.3 126.2 63.3 45 55 A K < - 0 0 26 -3,-1.9 2,-0.1 3,-0.0 -4,-0.0 -0.992 66.7-135.5-125.3 123.5 -65.5 124.3 63.2 46 56 A E >> - 0 0 71 -2,-0.5 3,-1.0 1,-0.1 4,-0.9 -0.485 40.8 -88.9 -73.0 153.7 -67.1 122.8 66.4 47 57 A N H 3> S+ 0 0 87 1,-0.2 4,-3.0 2,-0.2 3,-0.3 0.682 118.9 71.7 -26.2 -47.9 -68.4 119.2 66.4 48 58 A E H 3> S+ 0 0 74 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.909 99.8 39.6 -40.4 -68.1 -71.9 120.5 65.3 49 59 A E H <> S+ 0 0 130 -3,-1.0 4,-3.2 1,-0.2 5,-0.3 0.769 114.7 54.9 -58.8 -31.0 -71.1 121.5 61.7 50 60 A L H X S+ 0 0 29 -4,-0.9 4,-2.5 -3,-0.3 5,-0.5 0.962 107.5 50.0 -65.5 -47.1 -68.9 118.4 61.3 51 61 A E H < S+ 0 0 155 -4,-3.0 -2,-0.2 1,-0.2 -1,-0.2 0.790 118.5 39.6 -60.2 -31.1 -71.8 116.3 62.4 52 62 A A H < S+ 0 0 84 -4,-1.6 -2,-0.2 -5,-0.2 -1,-0.2 0.935 115.0 47.5 -84.5 -54.2 -74.0 118.0 59.8 53 63 A L H < S- 0 0 62 -4,-3.2 -2,-0.2 -5,-0.1 -3,-0.2 0.821 87.1-157.4 -57.8 -33.4 -71.6 118.3 56.9 54 64 A N < - 0 0 117 -4,-2.5 2,-0.6 -5,-0.3 -3,-0.1 0.922 16.9-174.0 52.7 47.4 -70.7 114.6 57.4 55 65 A I - 0 0 66 -5,-0.5 62,-2.1 62,-0.2 2,-0.4 -0.651 7.5-163.4 -79.7 116.5 -67.4 115.1 55.6 56 66 A E E -A 116 0A 124 -2,-0.6 2,-0.3 60,-0.2 60,-0.2 -0.833 12.9-175.7 -97.2 141.9 -65.6 111.8 55.1 57 67 A V E -A 115 0A 3 58,-2.6 58,-1.9 -2,-0.4 2,-0.4 -0.838 21.6-136.6-134.4 171.8 -61.9 112.0 54.2 58 68 A A E +A 114 0A 2 -2,-0.3 -25,-1.5 56,-0.2 -26,-1.5 -0.984 26.1 170.7-136.4 122.9 -58.9 109.7 53.3 59 69 A V E -A 113 0A 3 54,-2.7 54,-3.0 -2,-0.4 2,-0.3 -0.877 12.3-169.6-129.7 159.4 -55.4 110.1 54.8 60 70 A A E +A 112 0A 16 -27,-0.4 2,-0.3 -2,-0.3 52,-0.2 -0.984 27.5 116.8-145.6 147.4 -52.1 108.2 54.8 61 71 A G E -A 111 0A 7 50,-2.5 50,-2.4 -2,-0.3 2,-0.3 -0.967 58.0 -55.6 178.7-164.7 -49.0 108.6 56.8 62 72 A R E -AB 110 78A 75 16,-3.1 16,-2.7 -2,-0.3 2,-0.9 -0.809 47.5-114.9-105.3 144.1 -46.6 107.2 59.3 63 73 A M E + B 0 77A 0 46,-2.8 45,-2.9 -2,-0.3 46,-0.2 -0.672 43.3 159.4 -81.3 103.8 -47.6 106.0 62.8 64 74 A M E + 0 0 23 12,-1.9 2,-0.4 -2,-0.9 -1,-0.2 0.945 64.9 16.6 -86.9 -58.2 -46.0 108.2 65.4 65 75 A T E - B 0 76A 77 11,-1.1 11,-2.6 42,-0.1 2,-0.4 -0.965 59.0-175.1-125.6 136.0 -48.1 107.7 68.6 66 76 A R E - B 0 75A 62 -2,-0.4 2,-0.7 9,-0.2 9,-0.2 -0.982 5.5-169.5-132.2 118.1 -50.5 105.0 69.4 67 77 A R E - B 0 74A 49 7,-2.8 7,-1.9 -2,-0.4 2,-1.1 -0.903 11.8-158.4-108.6 97.2 -52.6 105.1 72.6 68 78 A I E - B 0 73A 92 -2,-0.7 2,-1.1 5,-0.2 5,-0.2 -0.659 11.7-178.5 -79.7 93.8 -54.4 101.6 72.9 69 79 A M E > - B 0 72A 106 3,-1.4 2,-1.7 -2,-1.1 3,-1.0 -0.337 55.2 -95.0 -88.0 52.0 -57.4 102.2 75.2 70 80 A G T 3 S+ 0 0 61 -2,-1.1 -1,-0.1 1,-0.2 3,-0.1 -0.498 108.1 4.1 77.7 -82.2 -58.5 98.6 75.1 71 81 A K T 3 S+ 0 0 52 -2,-1.7 19,-1.8 1,-0.0 2,-0.3 0.401 132.7 51.9-115.2 -7.9 -61.1 98.4 72.4 72 82 A A E < S-BC 69 89A 15 -3,-1.0 -3,-1.4 17,-0.2 2,-0.3 -0.909 70.7-168.9-124.8 154.7 -60.8 102.1 71.2 73 83 A S E -BC 68 88A 0 15,-2.8 15,-2.0 -2,-0.3 2,-0.5 -0.990 22.2-145.1-150.1 154.7 -57.5 103.8 70.2 74 84 A F E +BC 67 87A 71 -7,-1.9 -7,-2.8 -2,-0.3 2,-0.4 -0.974 25.8 176.3-120.0 108.7 -56.0 107.2 69.5 75 85 A V E -BC 66 86A 1 11,-2.1 11,-3.2 -2,-0.5 2,-0.5 -0.904 19.4-147.5-114.9 143.6 -53.3 107.1 66.8 76 86 A T E -BC 65 85A 36 -11,-2.6 -12,-1.9 -2,-0.4 -11,-1.1 -0.980 14.8-156.3-114.6 121.4 -51.5 110.1 65.4 77 87 A L E -BC 63 84A 5 7,-2.5 7,-1.7 -2,-0.5 2,-0.5 -0.763 1.6-153.8 -98.7 140.3 -50.4 109.9 61.8 78 88 A Q E +BC 62 83A 14 -16,-2.7 -16,-3.1 -2,-0.3 5,-0.2 -0.970 24.2 156.3-120.4 118.7 -47.6 111.9 60.2 79 89 A D - 0 0 24 3,-2.2 3,-0.5 -2,-0.5 -18,-0.1 -0.241 60.7 -67.5-113.8-151.3 -47.6 112.7 56.5 80 90 A V S S+ 0 0 104 1,-0.2 3,-0.1 -2,-0.1 -19,-0.1 0.839 129.0 41.8 -76.6 -32.3 -45.9 115.5 54.4 81 91 A G S S- 0 0 22 1,-0.2 2,-0.3 0, 0.0 -1,-0.2 0.239 119.4 -85.4-101.1 11.3 -48.0 118.4 55.8 82 92 A G - 0 0 16 -3,-0.5 -3,-2.2 -47,-0.1 2,-0.3 -0.952 62.7 -30.2 133.5-147.1 -48.1 117.5 59.5 83 93 A R E -C 78 0A 110 -2,-0.3 2,-0.4 -5,-0.2 -5,-0.2 -0.922 37.4-177.0-124.9 141.0 -50.2 115.4 62.0 84 94 A I E -C 77 0A 12 -7,-1.7 -7,-2.5 -2,-0.3 2,-0.3 -0.989 25.4-127.0-135.0 137.7 -53.8 114.3 62.1 85 95 A Q E -Cd 76 126A 14 40,-1.3 42,-1.2 -2,-0.4 2,-0.4 -0.689 22.0-157.6 -88.1 141.3 -55.4 112.3 65.0 86 96 A L E -Cd 75 127A 0 -11,-3.2 -11,-2.1 -2,-0.3 2,-0.9 -0.959 11.3-144.9-122.4 136.9 -57.3 109.1 64.1 87 97 A Y E -Cd 74 128A 56 40,-3.1 42,-2.4 -2,-0.4 2,-0.6 -0.867 18.1-168.7-102.9 102.5 -60.0 107.3 66.2 88 98 A V E +C 73 0A 0 -15,-2.0 -15,-2.8 -2,-0.9 2,-0.4 -0.826 10.0 176.0 -91.2 123.6 -59.5 103.6 65.7 89 99 A A E >> -C 72 0A 5 -2,-0.6 4,-2.1 40,-0.4 3,-1.1 -0.940 29.0-140.0-136.4 118.0 -62.5 101.7 67.1 90 100 A R T 34 S+ 0 0 102 -19,-1.8 8,-0.3 -2,-0.4 7,-0.2 0.672 99.8 43.7 -40.8 -43.4 -62.9 97.9 66.8 91 101 A D T 34 S+ 0 0 128 -20,-0.2 -1,-0.3 1,-0.1 4,-0.1 0.761 115.1 46.4 -80.3 -31.4 -66.7 97.8 66.1 92 102 A D T <4 S+ 0 0 81 -3,-1.1 -2,-0.2 2,-0.1 -1,-0.1 0.747 107.0 73.9 -78.9 -26.7 -66.7 100.7 63.6 93 103 A L S < S- 0 0 7 -4,-2.1 38,-0.1 1,-0.2 3,-0.1 -0.398 105.8 -79.8 -82.2 157.2 -63.7 99.1 61.9 94 104 A P >> - 0 0 68 0, 0.0 3,-1.5 0, 0.0 4,-0.7 -0.240 63.6 -82.4 -57.2 152.4 -64.1 95.9 59.8 95 105 A E T 34 S+ 0 0 199 1,-0.2 -4,-0.1 2,-0.1 -5,-0.0 -0.311 108.5 7.2 -63.1 132.5 -64.3 92.7 61.8 96 106 A G T 3> S+ 0 0 40 -6,-0.2 4,-1.0 -3,-0.1 -1,-0.2 0.327 103.0 94.0 83.8 -5.3 -61.0 91.1 62.9 97 107 A V H <>>S+ 0 0 26 -3,-1.5 5,-2.6 -7,-0.2 4,-1.2 0.885 77.8 55.7 -87.0 -37.2 -58.8 94.0 61.9 98 108 A Y H <>S+ 0 0 3 -4,-0.7 5,-1.0 -8,-0.3 -1,-0.1 0.880 124.7 21.7 -63.4 -36.9 -58.6 95.9 65.2 99 109 A N H 45S+ 0 0 92 3,-0.2 -2,-0.2 -9,-0.1 -1,-0.1 0.889 129.0 41.6 -97.3 -48.4 -57.4 92.9 67.1 100 110 A E H <5S+ 0 0 76 -4,-1.0 -3,-0.2 3,-0.1 -2,-0.2 0.552 136.2 10.2 -77.9 -7.9 -55.8 90.5 64.7 101 111 A Q T >X5S+ 0 0 63 -4,-1.2 3,-3.4 -5,-0.1 4,-0.6 0.537 119.5 51.0-131.0 -77.8 -54.1 93.5 62.8 102 112 A F G >4 - 0 0 18 -2,-0.2 3,-1.0 1,-0.1 2,-0.2 -0.549 25.3 -88.8-112.4 173.4 -45.8 98.8 65.2 107 117 A L T 3 S+ 0 0 60 1,-0.2 -43,-0.2 -2,-0.2 35,-0.1 -0.615 114.7 41.6 -77.4 146.8 -45.0 102.5 65.6 108 118 A G T 3 S+ 0 0 1 -45,-2.9 -1,-0.2 1,-0.4 -44,-0.1 0.164 83.7 130.4 100.1 -19.6 -43.2 103.6 62.4 109 119 A D < - 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0 0 20 -3,-0.3 -1,-0.2 175,-0.2 2,-0.2 -0.944 64.1-132.0-168.4 161.2 -25.4 148.2 33.3 267 285 A D >> - 0 0 49 -2,-0.3 3,-1.8 142,-0.1 4,-0.9 -0.719 41.3 -86.1-119.2 173.2 -22.7 148.5 36.0 268 286 A Y H >> S+ 0 0 21 1,-0.3 4,-2.9 125,-0.3 3,-0.9 0.826 122.7 64.4 -48.0 -39.0 -22.1 146.9 39.5 269 287 A K H 3> S+ 0 0 124 1,-0.3 4,-2.0 2,-0.2 -1,-0.3 0.891 99.9 52.7 -54.3 -40.1 -24.1 149.7 41.1 270 288 A D H <> S+ 0 0 77 -3,-1.8 4,-1.0 1,-0.2 -1,-0.3 0.756 111.0 46.9 -65.5 -29.9 -27.2 148.5 39.2 271 289 A L H X S+ 0 0 1 -4,-2.0 4,-2.6 2,-0.2 3,-0.7 0.998 111.8 37.8 -65.9 -62.4 -33.8 140.5 45.9 279 297 A F H 3X S+ 0 0 0 -4,-2.4 4,-2.0 1,-0.3 5,-0.2 0.869 118.5 50.3 -58.1 -36.9 -33.1 140.0 49.6 280 298 A R H 3X S+ 0 0 78 -4,-2.9 4,-0.9 -5,-0.2 -1,-0.3 0.769 113.1 44.5 -75.2 -27.3 -35.8 142.4 50.6 281 299 A T H S+ 0 0 4 -4,-2.6 4,-3.2 -5,-0.2 5,-0.6 0.963 113.4 45.6 -67.0 -47.7 -37.7 137.2 49.2 283 301 A A H X>S+ 0 0 1 -4,-2.0 4,-1.5 -5,-0.3 5,-0.7 0.880 114.8 50.8 -61.3 -35.9 -37.7 137.9 53.0 284 302 A Q H <5S+ 0 0 81 -4,-0.9 4,-0.2 -5,-0.2 -1,-0.2 0.886 120.3 31.0 -69.6 -42.5 -40.9 139.9 52.6 285 303 A D H <5S+ 0 0 117 -4,-2.4 -2,-0.2 2,-0.1 -3,-0.2 0.881 128.3 37.8 -85.5 -39.9 -42.8 137.2 50.7 286 304 A I H <5S+ 0 0 26 -4,-3.2 -3,-0.2 -5,-0.3 -2,-0.2 0.807 134.9 17.7 -82.0 -35.1 -41.3 134.1 52.1 287 305 A L T < -P 297 0D 11 3,-3.1 3,-1.5 1,-0.2 2,-0.2 -0.700 55.1 -61.8-153.1 93.9 -30.7 135.0 63.6 295 313 A G T 3 S- 0 0 41 1,-0.3 -1,-0.2 -2,-0.2 164,-0.0 -0.460 116.6 -11.6 69.3-132.2 -28.9 133.7 66.7 296 314 A D T 3 S+ 0 0 176 -2,-0.2 -1,-0.3 -3,-0.1 2,-0.2 0.633 130.9 68.0 -75.5 -11.8 -27.8 136.5 69.1 297 315 A V E < -P 294 0D 57 -3,-1.5 -3,-3.1 69,-0.0 2,-0.5 -0.701 70.0-140.2-116.0 159.2 -28.5 139.0 66.4 298 316 A T E -P 293 0D 82 -2,-0.2 2,-0.5 -5,-0.2 -5,-0.2 -0.978 19.9-149.3-116.1 121.7 -31.5 140.5 64.6 299 317 A L E -P 292 0D 0 -7,-2.9 -7,-3.4 -2,-0.5 2,-0.6 -0.822 7.8-154.5 -93.0 128.3 -31.0 141.1 60.8 300 318 A D E +P 291 0D 41 -2,-0.5 -9,-0.2 -9,-0.2 -10,-0.1 -0.871 26.6 165.5-112.5 108.4 -33.0 144.1 59.3 301 319 A F S S+ 0 0 1 -11,-2.5 -10,-0.2 -2,-0.6 -1,-0.1 0.277 70.4 79.4 -93.9 4.7 -33.8 144.0 55.6 302 320 A G S S+ 0 0 27 -12,-0.4 -1,-0.1 2,-0.1 3,-0.1 0.962 84.9 56.5 -75.4 -58.5 -36.3 146.8 56.2 303 321 A K S S- 0 0 64 1,-0.1 3,-0.1 -13,-0.1 -3,-0.0 -0.563 108.3 -90.3 -76.4 136.3 -33.9 149.7 56.4 304 322 A P - 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0 0 3 -3,-2.2 2,-1.5 -6,-0.2 3,-0.1 -0.692 60.7-148.8 -86.3 110.7 -6.2 154.7 61.8 322 340 A D > - 0 0 99 -2,-0.8 3,-2.6 1,-0.2 4,-0.3 -0.697 18.4-151.7 -73.6 95.6 -4.6 157.9 60.5 323 341 A M G >> S+ 0 0 42 -2,-1.5 3,-1.9 1,-0.3 4,-0.7 0.701 86.8 74.4 -43.4 -33.4 -5.8 157.1 56.9 324 342 A A G >4 S+ 0 0 62 1,-0.3 3,-1.0 2,-0.2 -1,-0.3 0.832 87.8 65.0 -51.7 -32.2 -2.9 159.1 55.4 325 343 A D G X4 S+ 0 0 56 -3,-2.6 3,-0.9 1,-0.3 -1,-0.3 0.770 94.8 57.2 -63.3 -28.7 -0.7 156.1 56.5 326 344 A L G <4 S+ 0 0 1 -3,-1.9 -1,-0.3 -4,-0.3 -2,-0.2 0.714 97.3 61.7 -76.8 -21.0 -2.6 153.8 54.0 327 345 A D G << S+ 0 0 98 -3,-1.0 2,-0.4 -4,-0.7 -1,-0.2 0.467 102.4 58.6 -81.6 -4.0 -1.7 156.0 51.1 328 346 A N S <> S- 0 0 86 -3,-0.9 4,-1.6 -4,-0.2 3,-0.5 -0.988 81.9-136.9-129.4 122.1 2.0 155.3 51.8 329 347 A F H > S+ 0 0 79 -2,-0.4 4,-2.5 1,-0.2 3,-0.4 0.858 99.0 47.9 -42.4 -57.8 3.4 151.7 51.7 330 348 A D H > S+ 0 0 116 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.869 112.1 47.6 -58.6 -41.4 5.6 151.8 54.8 331 349 A S H > S+ 0 0 27 -3,-0.5 4,-0.9 1,-0.2 -1,-0.2 0.779 115.0 48.4 -70.7 -25.2 3.1 153.5 57.1 332 350 A A H X S+ 0 0 0 -4,-1.6 4,-1.2 -3,-0.4 -2,-0.2 0.812 108.5 52.9 -80.5 -34.6 0.6 150.9 55.9 333 351 A K H X S+ 0 0 14 -4,-2.5 4,-2.5 -5,-0.2 -2,-0.2 0.920 112.5 45.2 -64.8 -43.3 3.1 148.0 56.5 334 352 A A H X S+ 0 0 53 -4,-2.2 4,-1.9 1,-0.2 -1,-0.2 0.746 111.8 51.6 -70.2 -29.1 3.5 149.3 60.1 335 353 A I H < S+ 0 0 10 -4,-0.9 -1,-0.2 2,-0.2 -2,-0.2 0.701 111.0 49.9 -78.7 -25.7 -0.3 149.7 60.5 336 354 A A H ><>S+ 0 0 0 -4,-1.2 3,-1.2 2,-0.1 5,-0.9 0.942 113.5 44.2 -74.3 -51.0 -0.6 146.1 59.3 337 355 A E H ><5S+ 0 0 118 -4,-2.5 3,-2.7 1,-0.3 4,-0.2 0.905 107.2 56.8 -61.5 -47.0 2.0 144.7 61.7 338 356 A S T 3<5S+ 0 0 86 -4,-1.9 -1,-0.3 1,-0.3 -2,-0.1 0.475 105.1 54.5 -66.5 -2.9 0.8 146.6 64.8 339 357 A I T < 5S- 0 0 35 -3,-1.2 -1,-0.3 2,-0.1 -2,-0.2 0.263 131.2 -97.0-108.6 4.5 -2.6 145.0 64.2 340 358 A G T < 5S+ 0 0 66 -3,-2.7 2,-0.5 1,-0.2 -3,-0.2 0.885 70.8 153.8 81.8 47.4 -0.9 141.6 64.3 341 359 A I < - 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