==== 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 HELICASE 11-SEP-01 1GM5 . COMPND 2 MOLECULE: RECG; . SOURCE 2 ORGANISM_SCIENTIFIC: THERMOTOGA MARITIMA; . AUTHOR M.R.SINGLETON,S.SCAIFE,D.B.WIGLEY . 729 5 1 1 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 40372.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 469 64.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 45 6.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 29 4.0 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 . 2 0.3 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 0.1 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 . 54 7.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 88 12.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 221 30.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 13 1.8 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 1 0 6 2 3 0 2 2 0 1 3 0 1 0 0 0 0 1 0 0 0 0 0 0 0 1 RESIDUES PER ALPHA HELIX . 4 2 4 3 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 . 1 0 1 2 2 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 . 1 0 0 0 2 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 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 7 A F 0 0 180 0, 0.0 5,-0.1 0, 0.0 4,-0.1 0.000 360.0 360.0 360.0 -21.6 -18.0 -14.2 50.2 2 8 A T > + 0 0 102 1,-0.2 3,-1.2 2,-0.2 4,-0.3 0.755 360.0 24.8 -24.8 -83.6 -18.4 -16.5 53.2 3 9 A S G >>>S+ 0 0 84 1,-0.3 3,-2.0 2,-0.2 2,-0.8 0.966 112.6 67.8 -53.6 -56.5 -15.3 -15.8 55.4 4 10 A S G 345S+ 0 0 54 1,-0.3 -1,-0.3 2,-0.1 -2,-0.2 0.376 113.3 34.0 -49.6 8.8 -14.7 -12.3 54.0 5 11 A L G <>5S+ 0 0 73 -3,-1.2 4,-0.5 -2,-0.8 -1,-0.3 0.449 104.4 59.7-145.9 -1.7 -17.9 -11.4 55.8 6 12 A F H <>5S+ 0 0 98 -3,-2.0 4,-1.8 -4,-0.3 -3,-0.1 0.880 104.8 39.4-108.9 -54.4 -18.6 -13.2 59.1 7 13 A L H <5S+ 0 0 68 -4,-0.6 -3,-0.1 2,-0.2 -4,-0.1 0.895 114.2 61.8 -57.0 -40.1 -16.0 -12.6 61.6 8 14 A W H 4 S- 0 0 2 -3,-0.2 4,-2.9 1,-0.2 30,-0.1 -0.854 78.3-109.0-168.5 130.5 -13.7 -5.1 74.3 16 22 A L H > S+ 0 0 2 -2,-0.3 4,-3.1 1,-0.2 5,-0.3 0.810 117.1 46.7 -30.2 -61.4 -12.1 -1.9 75.8 17 23 A E H > S+ 0 0 22 2,-0.2 4,-3.7 1,-0.2 -1,-0.2 0.970 112.6 46.8 -53.3 -57.4 -10.6 -0.9 72.4 18 24 A E H > S+ 0 0 21 2,-0.2 4,-2.1 3,-0.2 5,-0.3 0.955 118.0 48.5 -44.9 -55.3 -13.7 -1.5 70.5 19 25 A F H X S+ 0 0 7 -4,-2.9 4,-2.7 2,-0.2 5,-0.3 0.948 113.5 41.1 -46.1 -79.7 -15.3 0.5 73.4 20 26 A L H X S+ 0 0 2 -4,-3.1 4,-2.2 2,-0.2 3,-0.3 0.926 114.3 60.7 -31.4 -59.9 -13.0 3.3 73.5 21 27 A N H >X S+ 0 0 59 -4,-3.7 4,-1.6 -5,-0.3 3,-1.6 0.847 106.5 39.7 -27.2 -91.1 -13.1 3.2 69.8 22 28 A E H 3X S+ 0 0 38 -4,-2.1 4,-5.5 1,-0.3 -1,-0.3 0.766 108.1 62.4 -31.8 -47.6 -16.8 3.7 69.4 23 29 A V H 3X S+ 0 0 8 -4,-2.7 4,-2.4 -3,-0.3 -1,-0.3 0.957 103.9 48.8 -54.4 -45.8 -16.9 6.3 72.0 24 30 A E H < S+ 0 0 14 -4,-5.5 3,-1.0 -5,-0.3 4,-0.3 0.925 112.3 29.0 -39.4 -71.5 -19.4 8.6 69.7 27 33 A L H 3< S+ 0 0 24 -4,-2.4 -2,-0.2 1,-0.3 -1,-0.2 0.972 103.8 71.7 -64.7 -60.0 -18.2 12.2 70.0 28 34 A K T 3< S+ 0 0 125 -4,-2.3 -1,-0.3 -5,-0.2 -2,-0.2 0.637 129.2 6.0 -37.5 -3.2 -16.8 12.8 66.5 29 35 A N S < S- 0 0 115 -3,-1.0 2,-0.4 -4,-0.4 -2,-0.1 -0.013 127.6 -32.5-142.8-102.3 -20.6 12.8 66.1 30 36 A Q - 0 0 165 -4,-0.3 -3,-0.2 -5,-0.2 -2,-0.1 -0.843 43.0-135.1-149.8 114.6 -23.0 12.5 68.9 31 37 A V - 0 0 7 -2,-0.4 -1,-0.2 1,-0.1 5,-0.1 0.714 13.4-161.4 -11.8-110.4 -23.1 10.9 72.3 32 38 A N > - 0 0 86 33,-0.1 3,-3.0 3,-0.1 4,-0.3 0.740 6.2-158.2 106.0 46.0 -26.3 9.0 73.1 33 39 A T T 3> S+ 0 0 60 1,-0.3 4,-1.7 2,-0.2 5,-0.2 0.696 92.7 61.4 -10.7 -61.2 -26.2 8.6 76.9 34 40 A R T 34 S+ 0 0 203 2,-0.2 4,-0.5 1,-0.2 -1,-0.3 0.876 105.5 46.7 -38.8 -57.9 -28.6 5.7 76.3 35 41 A R T X> S+ 0 0 99 -3,-3.0 3,-6.7 2,-0.2 4,-1.2 0.978 103.9 54.3 -53.0 -84.5 -26.1 3.9 74.3 36 42 A I H >> S+ 0 0 2 1,-0.3 4,-2.3 -4,-0.3 3,-1.9 0.718 104.8 59.7 -14.7 -67.7 -22.9 4.1 76.3 37 43 A H H 3< S+ 0 0 104 -4,-1.7 -1,-0.3 1,-0.3 4,-0.2 0.643 108.5 44.4 -40.6 -26.2 -24.9 2.7 79.2 38 44 A Q H <> S+ 0 0 94 -3,-6.7 4,-0.7 -4,-0.5 -1,-0.3 0.701 107.9 56.2 -97.7 -24.2 -25.6 -0.4 77.0 39 45 A L H XX S+ 0 0 15 -3,-1.9 3,-2.4 -4,-1.2 4,-0.9 0.983 103.8 54.8 -66.4 -48.5 -22.0 -0.7 75.7 40 46 A L H 3< S+ 0 0 83 -4,-2.3 3,-0.2 1,-0.3 -1,-0.2 0.751 102.1 59.9 -50.9 -27.0 -20.7 -0.9 79.3 41 47 A K H 34 S+ 0 0 143 -5,-0.4 -1,-0.3 -4,-0.2 -2,-0.2 0.760 106.1 46.3 -73.6 -24.3 -23.1 -3.8 79.9 42 48 A E H << S+ 0 0 96 -3,-2.4 -1,-0.2 -4,-0.7 -2,-0.2 0.581 83.1 122.2 -98.7 -9.1 -21.6 -5.8 77.2 43 49 A L < + 0 0 35 -4,-0.9 2,-0.3 -3,-0.2 -28,-0.1 -0.167 29.8 160.1 -53.3 143.6 -17.9 -5.3 78.1 44 50 A D + 0 0 45 -30,-0.2 -28,-0.2 0, 0.0 3,-0.1 -0.916 16.8 94.7-164.5 138.4 -15.9 -8.3 78.9 45 51 A D > - 0 0 20 -2,-0.3 3,-0.6 1,-0.1 4,-0.3 -0.563 69.7 -96.1 145.7 149.6 -12.1 -9.0 79.0 46 52 A P G > S+ 0 0 15 0, 0.0 3,-3.1 0, 0.0 -1,-0.1 0.864 107.3 70.2 -59.6 -40.0 -9.1 -9.1 81.2 47 53 A L G > S+ 0 0 50 1,-0.3 3,-1.3 2,-0.1 6,-0.1 0.885 91.7 64.3 -45.8 -42.7 -7.7 -5.5 80.5 48 54 A L G < S+ 0 0 21 -3,-0.6 -1,-0.3 1,-0.3 6,-0.2 0.714 76.3 84.5 -57.9 -23.3 -10.6 -4.2 82.5 49 55 A E G < + 0 0 152 -3,-3.1 2,-0.4 -4,-0.3 -1,-0.3 0.363 64.9 110.3 -71.4 16.7 -9.5 -5.8 85.7 50 56 A N <> - 0 0 88 -3,-1.3 4,-1.6 1,-0.2 5,-0.1 -0.747 66.4-139.8 -83.6 135.9 -7.2 -2.8 86.3 51 57 A K H >> S+ 0 0 150 -2,-0.4 4,-2.6 2,-0.2 3,-1.4 0.989 98.4 33.0 -59.0 -72.9 -8.3 -0.6 89.3 52 58 A D H 3>>S+ 0 0 75 1,-0.3 4,-1.2 2,-0.3 5,-0.9 0.936 110.4 62.6 -48.4 -64.2 -7.6 2.8 87.9 53 59 A L H 3>5S+ 0 0 3 1,-0.3 4,-1.5 2,-0.2 -1,-0.3 0.822 113.6 40.5 -27.9 -43.7 -8.4 1.8 84.4 54 60 A E H XXS+ 0 0 14 -4,-1.5 4,-1.1 -5,-0.9 3,-0.6 0.996 101.8 53.3 -64.2 -70.4 -12.7 5.5 83.3 58 64 A Q H 3X5S+ 0 0 128 -4,-1.9 4,-3.9 1,-0.3 5,-0.4 0.865 106.7 54.9 -27.5 -69.5 -15.8 6.4 85.3 59 65 A A H 3X5S+ 0 0 63 -4,-1.4 4,-2.3 2,-0.2 -1,-0.3 0.906 116.1 41.1 -28.2 -64.4 -14.3 9.8 85.8 60 66 A F H XX5S+ 0 0 11 -4,-1.6 4,-1.8 -3,-0.6 3,-1.3 0.981 114.7 44.6 -52.1 -79.7 -14.2 9.8 82.0 61 67 A L H 3X5S+ 0 0 13 -4,-1.1 4,-1.8 1,-0.3 -1,-0.2 0.799 114.8 56.4 -40.5 -25.8 -17.4 8.2 80.9 62 68 A D H 3<< S+ 0 0 9 -4,-1.8 3,-3.4 1,-0.2 -2,-0.2 0.966 94.1 68.5 -51.0 -68.4 -18.7 12.6 78.6 65 71 A K T 3< S+ 0 0 57 -4,-1.8 4,-0.4 1,-0.3 -1,-0.2 0.673 91.1 69.5 -28.8 -24.3 -22.3 11.7 79.4 66 72 A E T < S+ 0 0 73 -3,-1.2 3,-0.5 -4,-0.5 -1,-0.3 0.823 70.6 96.0 -70.6 -29.1 -22.8 15.4 80.1 67 73 A I S < S+ 0 0 8 -3,-3.4 -1,-0.2 -4,-0.3 -2,-0.1 0.736 82.2 45.5 -22.0 -70.5 -22.4 16.5 76.4 68 74 A P S S+ 0 0 58 0, 0.0 2,-4.9 0, 0.0 -1,-0.2 0.879 100.9 62.4 -54.6 -54.9 -26.1 16.7 75.4 69 75 A N S S+ 0 0 120 -3,-0.5 -2,-0.1 -4,-0.4 -3,-0.0 -0.172 99.9 92.4 -65.5 50.6 -27.5 18.5 78.4 70 76 A L S S- 0 0 28 -2,-4.9 5,-0.1 2,-0.0 2,-0.1 -0.867 74.2-134.2-155.1 111.5 -25.1 21.0 76.9 71 77 A P >> - 0 0 74 0, 0.0 3,-1.1 0, 0.0 4,-0.7 -0.421 54.4 -72.4 -63.9 142.7 -25.4 24.0 74.4 72 78 A E H >> S+ 0 0 146 1,-0.3 4,-1.5 2,-0.2 3,-1.0 0.378 132.4 30.6 7.4 -82.5 -22.8 24.5 71.5 73 79 A A H >>>S+ 0 0 64 1,-0.3 5,-0.6 2,-0.2 3,-0.5 0.978 113.6 63.8 -58.3 -52.5 -19.7 25.7 73.4 74 80 A R H <45S+ 0 0 162 -3,-1.1 -1,-0.3 1,-0.2 -2,-0.2 0.801 106.8 47.3 -37.9 -33.0 -20.8 23.7 76.4 75 81 A K H S+ 0 0 157 -4,-1.5 3,-2.3 -3,-0.5 4,-0.7 0.990 104.7 39.5 -60.8 -83.8 -16.8 21.5 72.5 77 83 A Y H 3X5S+ 0 0 177 -4,-0.5 4,-2.2 1,-0.3 5,-0.2 0.891 116.1 62.7 -41.2 -31.9 -14.1 22.0 75.0 78 84 A R H 3>X S+ 0 0 2 -4,-1.0 4,-2.8 2,-0.3 3,-0.8 0.998 111.8 38.9 -59.1 -67.8 -8.9 8.5 75.0 87 93 A E H 3X S+ 0 0 41 -4,-1.5 4,-2.5 1,-0.3 -1,-0.2 0.909 116.0 56.2 -44.9 -37.6 -5.7 8.5 73.1 88 94 A K H 3X S+ 0 0 83 -4,-1.6 4,-1.0 -5,-0.4 -1,-0.3 0.940 112.0 41.0 -57.2 -45.7 -4.5 9.3 76.5 89 95 A L H XX S+ 0 0 2 -4,-3.7 4,-2.1 -3,-0.8 3,-1.7 0.986 111.7 54.1 -65.1 -62.1 -6.2 6.1 77.7 90 96 A R H 3X S+ 0 0 18 -4,-2.8 4,-0.6 1,-0.3 5,-0.4 0.869 108.6 49.6 -37.4 -54.6 -5.1 4.0 74.8 91 97 A S H 3< S+ 0 0 32 -4,-2.5 -1,-0.3 -5,-0.3 -2,-0.2 0.793 113.8 47.2 -57.3 -33.3 -1.5 4.9 75.3 92 98 A W H << S+ 0 0 149 -3,-1.7 -2,-0.2 -4,-1.0 -1,-0.2 0.926 131.6 9.1 -70.5 -51.1 -1.7 4.1 79.0 93 99 A F H < S+ 0 0 40 -4,-2.1 -3,-0.2 1,-0.1 -2,-0.1 0.897 112.9 67.5-106.7 -61.3 -3.4 0.8 78.9 94 100 A L S < S+ 0 0 4 -4,-0.6 216,-0.4 -5,-0.4 212,-0.4 0.457 89.4 75.1 -53.5 -7.3 -3.7 -0.6 75.4 95 101 A I S S- 0 0 15 -5,-0.4 2,-1.2 -4,-0.2 202,-0.0 -0.873 71.4-137.4-119.8 144.9 0.1 -1.2 74.8 96 102 A D - 0 0 72 -2,-0.3 -2,-0.1 208,-0.1 -3,-0.1 -0.452 28.7-151.2 -98.6 60.4 2.4 -3.9 76.2 97 103 A Y - 0 0 105 -2,-1.2 2,-1.7 1,-0.2 -2,-0.0 -0.048 12.5-130.3 -35.8 114.5 5.3 -1.7 76.9 98 104 A L - 0 0 26 1,-0.0 2,-0.5 174,-0.0 -1,-0.2 -0.532 20.4-159.8 -77.3 80.4 8.4 -3.9 76.6 99 105 A E - 0 0 191 -2,-1.7 2,-0.1 1,-0.1 177,-0.0 -0.550 25.0-161.9 -70.6 120.5 10.2 -3.2 79.9 100 106 A a + 0 0 70 -2,-0.5 2,-0.3 176,-0.1 -1,-0.1 -0.199 26.9 110.3-112.7 173.7 13.8 -4.2 79.1 101 107 A S + 0 0 103 172,-0.1 2,-2.2 -2,-0.1 175,-0.0 -1.000 32.7 95.7 162.0-158.5 17.2 -5.2 80.5 102 108 A G S S- 0 0 65 -2,-0.3 2,-0.1 1,-0.1 -2,-0.0 -0.557 98.1 -76.1 76.6 -81.5 19.9 -7.9 81.1 103 109 A E - 0 0 149 -2,-2.2 -1,-0.1 170,-0.1 174,-0.1 -0.277 39.8 -91.9 148.0 135.8 21.6 -6.8 78.0 104 110 A E - 0 0 111 172,-0.1 2,-0.3 -2,-0.1 170,-0.1 -0.030 22.4-172.9 -43.0 131.8 21.7 -6.7 74.4 105 111 A V - 0 0 100 168,-0.1 172,-0.2 169,-0.1 -2,-0.1 -0.965 20.1-167.5-124.1 152.4 23.6 -9.0 72.2 106 112 A D + 0 0 70 -2,-0.3 2,-0.3 2,-0.1 -2,-0.0 -0.033 24.2 75.8-149.3 47.1 23.5 -8.0 68.7 107 113 A L S S- 0 0 136 25,-0.0 2,-1.1 27,-0.0 27,-0.3 -0.663 73.9 -71.2-135.3-159.7 24.4 -9.4 65.5 108 114 A S + 0 0 77 -2,-0.3 2,-0.3 24,-0.1 24,-0.1 -0.828 52.9 175.4 -88.3 95.6 23.8 -11.6 62.8 109 115 A T - 0 0 11 -2,-1.1 2,-3.4 22,-0.1 25,-0.1 -0.732 50.0-101.2 -95.8 158.8 24.3 -15.0 64.3 110 116 A D - 0 0 99 -2,-0.3 2,-1.8 21,-0.1 23,-0.1 -0.465 58.2-106.5 -80.1 66.6 23.6 -17.9 62.2 111 117 A I S S+ 0 0 1 -2,-3.4 -1,-0.1 21,-0.3 6,-0.1 0.313 101.8 100.0 44.0 4.3 20.4 -18.2 64.0 112 118 A Q S S+ 0 0 95 -2,-1.8 -1,-0.3 1,-0.2 4,-0.1 0.626 75.4 65.4 -97.1 -13.0 21.3 -21.2 66.2 113 119 A Y S S+ 0 0 183 2,-0.1 -1,-0.2 3,-0.0 -2,-0.1 0.809 81.9 103.2 -68.8 -31.7 22.0 -18.9 68.9 114 120 A A S S- 0 0 8 18,-0.2 2,-0.2 1,-0.1 156,-0.0 -0.066 87.2-115.9 -38.7 155.5 18.3 -18.5 68.4 115 121 A K S S+ 0 0 122 151,-0.2 2,-2.0 1,-0.1 154,-0.1 -0.656 94.0 17.3 -97.1 164.8 16.8 -20.4 71.2 116 122 A G S S+ 0 0 48 -2,-0.2 2,-0.2 1,-0.2 -1,-0.1 0.085 103.9 109.2 66.8 -34.3 14.8 -23.5 70.6 117 123 A V + 0 0 12 -2,-2.0 -1,-0.2 149,-0.1 3,-0.0 -0.546 41.8 160.5 -80.1 152.1 16.3 -23.5 67.1 118 124 A G > - 0 0 20 -2,-0.2 4,-1.2 -3,-0.1 5,-0.1 -0.574 51.8 -54.9-154.0-170.7 18.8 -26.2 66.3 119 125 A P H >> S+ 0 0 95 0, 0.0 4,-1.6 0, 0.0 3,-1.3 0.965 128.0 34.8 -52.5 -72.0 20.3 -27.8 63.2 120 126 A N H 3> S+ 0 0 75 1,-0.3 4,-3.0 2,-0.2 5,-0.1 0.868 118.3 51.7 -62.0 -36.4 17.4 -29.0 61.2 121 127 A R H 3> S+ 0 0 54 2,-0.2 4,-3.9 1,-0.2 -1,-0.3 0.824 102.6 65.0 -65.9 -22.6 15.3 -26.1 62.2 122 128 A K H X S+ 0 0 153 -4,-1.6 4,-1.0 2,-0.2 3,-1.0 0.892 116.5 53.9 -60.6 -41.4 17.7 -25.4 57.6 124 130 A K H >< S+ 0 0 47 -4,-3.0 3,-2.4 1,-0.3 4,-0.3 0.993 107.6 50.4 -56.8 -59.9 14.0 -25.3 57.9 125 131 A L H ><>S+ 0 0 0 -4,-3.9 5,-1.2 1,-0.3 3,-0.6 0.590 103.4 60.3 -53.7 -15.0 14.1 -21.6 59.0 126 132 A K H X<5S+ 0 0 61 -3,-1.0 3,-1.4 -4,-0.7 -1,-0.3 0.639 85.7 73.1 -98.7 -14.4 16.3 -20.7 56.0 127 133 A K T <<5S+ 0 0 151 -3,-2.4 -1,-0.2 -4,-1.0 -2,-0.2 0.511 99.5 50.9 -60.4 -8.5 13.7 -21.8 53.6 128 134 A L T < 5S- 0 0 20 -3,-0.6 -1,-0.2 -4,-0.3 -2,-0.2 0.297 127.3-102.6-113.6 11.3 12.0 -18.6 54.8 129 135 A G T < 5S+ 0 0 50 -3,-1.4 2,-0.7 1,-0.2 -3,-0.2 0.865 76.5 144.8 63.8 39.5 15.1 -16.5 54.2 130 136 A I < + 0 0 0 -5,-1.2 2,-0.2 -8,-0.1 -1,-0.2 -0.787 6.5 129.4-115.0 88.8 15.7 -16.6 57.9 131 137 A E + 0 0 106 -2,-0.7 4,-0.2 -5,-0.1 -21,-0.1 -0.394 65.7 24.3-101.6-167.5 19.4 -16.7 58.7 132 138 A T S S- 0 0 29 -2,-0.2 -21,-0.3 -24,-0.1 -18,-0.2 -0.071 92.6-103.4 57.2-153.1 20.8 -14.2 61.2 133 139 A L S > S+ 0 0 16 -23,-0.1 3,-5.8 2,-0.1 4,-0.4 0.339 119.7 66.7-137.3 -41.1 18.2 -12.9 63.6 134 140 A R G >> S+ 0 0 164 1,-0.4 4,-2.2 -27,-0.3 3,-2.2 0.949 99.9 61.3 -41.5 -37.7 17.6 -9.5 62.2 135 141 A D G 34 S+ 0 0 55 1,-0.3 -1,-0.4 -4,-0.2 -3,-0.1 0.831 98.0 56.1 -58.0 -24.0 16.4 -12.1 59.9 136 142 A L G <4 S+ 0 0 7 -3,-5.8 -1,-0.3 1,-0.1 -2,-0.2 0.231 113.6 35.0 -99.3 17.3 14.1 -13.1 62.7 137 143 A L T <4 S+ 0 0 9 -3,-2.2 -2,-0.2 -4,-0.4 -3,-0.1 0.536 104.8 61.9-124.7 -47.4 12.4 -9.7 63.2 138 144 A E S < S+ 0 0 115 -4,-2.2 2,-0.9 -5,-0.2 -2,-0.1 0.564 93.0 86.8 -59.3 4.1 12.2 -8.2 59.8 139 145 A F + 0 0 30 -5,-0.3 -1,-0.2 -4,-0.0 -4,-0.0 -0.749 66.6 177.8-107.0 86.3 10.1 -11.4 59.4 140 146 A F - 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0 0 1 0, 0.0 -57,-0.4 0, 0.0 3,-0.1 -0.328 26.6-164.2 -77.5 170.5 0.3 -7.0 70.3 306 312 A K S S+ 0 0 21 1,-0.4 2,-0.3 -212,-0.4 3,-0.1 -0.017 79.8 37.4-143.0 31.2 -2.7 -6.8 72.8 307 313 A T S > S- 0 0 0 1,-0.1 4,-1.1 -291,-0.1 -1,-0.4 -0.828 77.0-132.1-172.0 134.7 -4.8 -4.2 71.1 308 314 A F H > S+ 0 0 72 -2,-0.3 4,-3.3 1,-0.2 5,-0.2 0.874 114.6 68.3 -67.9 -24.8 -5.0 -4.0 67.5 309 315 A Y H > S+ 0 0 19 2,-0.2 4,-3.3 3,-0.2 5,-0.2 0.943 95.6 51.9 -52.1 -53.5 -4.3 -0.4 68.6 310 316 A H H > S+ 0 0 0 -216,-0.4 4,-0.9 2,-0.2 -2,-0.2 0.926 110.3 46.2 -38.0 -86.3 -0.9 -1.6 69.6 311 317 A L H >X S+ 0 0 5 -4,-1.1 4,-2.8 -10,-0.2 3,-1.3 0.749 112.5 52.5 -26.3 -55.8 -0.2 -3.2 66.2 312 318 A E H 3X S+ 0 0 119 -4,-3.3 4,-1.2 1,-0.3 5,-0.4 0.998 108.4 49.0 -42.6 -72.9 -1.5 -0.0 64.5 313 319 A K H 3< S+ 0 0 15 -4,-3.3 4,-0.5 1,-0.2 -1,-0.3 0.682 112.8 52.3 -46.3 -9.7 0.8 2.0 66.5 314 320 A A H S+ 0 0 5 -4,-0.5 4,-2.2 -5,-0.4 -1,-0.3 0.953 117.9 51.5 -76.9 -48.8 5.8 3.8 63.7 318 324 A L H < S+ 0 0 6 -4,-3.8 4,-0.4 1,-0.2 -2,-0.2 0.516 115.8 40.1 -63.4 -10.0 7.4 1.2 61.7 319 325 A A H X S+ 0 0 0 -4,-1.6 4,-1.1 2,-0.2 3,-0.4 0.791 109.1 54.0-109.9 -55.7 6.3 2.7 58.3 320 326 A Y H >X S+ 0 0 19 -4,-1.6 4,-3.2 -5,-0.3 3,-2.4 0.960 105.8 61.6 -38.3 -53.5 6.7 6.4 58.9 321 327 A E H 3X S+ 0 0 36 -4,-2.2 4,-1.9 1,-0.3 -1,-0.2 0.881 106.0 42.5 -36.9 -59.3 10.2 5.3 59.8 322 328 A E H 34 S+ 0 0 48 -3,-0.4 -1,-0.3 -4,-0.4 4,-0.2 0.480 111.4 52.5 -82.3 -1.2 10.8 4.0 56.4 323 329 A L H XX S+ 0 0 6 -3,-2.4 4,-1.9 -4,-1.1 3,-1.1 0.773 105.1 58.4 -91.7 -35.5 9.2 6.8 54.5 324 330 A F H 3X S+ 0 0 21 -4,-3.2 4,-3.4 -5,-0.3 5,-0.3 0.983 97.1 60.4 -47.3 -61.6 11.4 9.1 56.5 325 331 A V H 3X S+ 0 0 85 -4,-1.9 4,-1.3 -5,-0.2 -1,-0.3 0.797 112.3 40.5 -39.6 -32.6 14.3 7.2 55.1 326 332 A L H <> S+ 0 0 41 -3,-1.1 4,-2.2 -4,-0.2 -2,-0.2 0.955 114.4 45.0 -83.9 -72.9 13.1 8.3 51.7 327 333 A Q H X S+ 0 0 9 -4,-1.9 4,-1.6 1,-0.2 5,-0.3 0.731 111.6 60.0 -42.9 -22.6 12.0 11.9 52.2 328 334 A L H X S+ 0 0 49 -4,-3.4 4,-2.7 -5,-0.4 5,-0.3 0.987 106.2 42.7 -66.1 -68.5 15.2 12.3 54.1 329 335 A A H < S+ 0 0 48 -4,-1.3 -2,-0.2 -5,-0.3 4,-0.2 0.777 113.3 59.8 -45.1 -31.7 17.4 11.3 51.1 330 336 A F H >X S+ 0 0 17 -4,-2.2 3,-4.3 2,-0.2 4,-2.8 0.998 108.8 35.4 -64.6 -74.8 15.2 13.5 49.0 331 337 A Q H 3X S+ 0 0 49 -4,-1.6 4,-4.2 1,-0.3 5,-0.4 0.936 110.3 66.7 -43.4 -46.7 15.5 16.9 50.6 332 338 A K H 3< S+ 0 0 155 -4,-2.7 -1,-0.3 -5,-0.3 4,-0.3 0.666 114.3 31.4 -50.7 -15.9 19.1 15.8 51.2 333 339 A I H <> S+ 0 0 74 -3,-4.3 4,-0.9 -5,-0.3 3,-0.4 0.770 115.7 56.1 -99.3 -56.9 19.3 16.0 47.4 334 340 A R H X S+ 0 0 58 -4,-2.8 4,-0.7 1,-0.3 -2,-0.2 0.755 109.7 50.3 -50.1 -30.0 16.8 18.8 46.9 335 341 A K H >X S+ 0 0 96 -4,-4.2 4,-1.8 -5,-0.3 3,-0.8 0.904 100.5 59.2 -76.2 -47.6 18.9 20.9 49.2 336 342 A E H 3> S+ 0 0 87 -5,-0.4 4,-1.0 -3,-0.4 -1,-0.2 0.614 105.3 53.7 -54.6 -14.3 22.2 20.2 47.5 337 343 A R H 3X S+ 0 0 41 -4,-0.9 4,-1.2 -3,-0.2 -1,-0.3 0.782 100.4 58.8 -92.3 -32.3 20.4 21.8 44.5 338 344 A E H << S+ 0 0 89 -3,-0.8 -2,-0.2 -4,-0.7 -3,-0.1 0.848 105.9 52.7 -63.5 -35.9 19.6 24.8 46.6 339 345 A K H < S+ 0 0 138 -4,-1.8 -2,-0.2 1,-0.2 -3,-0.1 0.962 110.2 41.0 -57.0 -87.7 23.3 25.2 47.1 340 346 A H H < S- 0 0 78 -4,-1.0 -1,-0.2 165,-0.1 -2,-0.2 0.689 106.3-153.9 -41.3 -19.5 24.6 25.2 43.5 341 347 A G < - 0 0 17 -4,-1.2 165,-1.6 164,-0.2 41,-0.1 0.324 2.6-111.6 63.2 159.7 21.6 27.3 42.7 342 348 A G - 0 0 2 39,-0.7 40,-0.1 163,-0.3 165,-0.1 -0.230 17.8-125.0-110.1-162.9 19.7 27.7 39.4 343 349 A I - 0 0 49 39,-0.3 2,-0.2 163,-0.2 39,-0.1 -0.980 17.6-166.0-150.4 142.1 19.1 30.4 36.8 344 350 A P - 0 0 40 0, 0.0 2,-0.3 0, 0.0 35,-0.2 -0.450 6.0-172.1-108.9-172.3 15.9 32.0 35.3 345 351 A K - 0 0 100 -2,-0.2 2,-0.1 34,-0.2 65,-0.1 -0.926 25.8 -93.6-173.7 175.1 15.1 34.1 32.3 346 352 A K - 0 0 180 -2,-0.3 2,-0.4 64,-0.1 0, 0.0 -0.340 37.4-147.3 -88.3 167.3 12.5 36.2 30.4 347 353 A I - 0 0 43 -2,-0.1 2,-1.0 63,-0.0 63,-0.1 -0.988 12.1-134.5-152.2 134.1 10.3 34.8 27.7 348 354 A E > - 0 0 99 -2,-0.4 3,-0.7 1,-0.2 4,-0.4 -0.716 5.2-156.4 -93.1 100.4 8.7 35.9 24.4 349 355 A G T 3> S+ 0 0 52 -2,-1.0 4,-2.3 1,-0.2 5,-0.4 0.802 86.0 91.1 -39.4 -25.2 5.1 34.8 24.1 350 356 A K H 3> S+ 0 0 149 2,-0.2 4,-2.2 3,-0.2 -1,-0.2 0.909 82.4 42.0 -31.5 -82.7 6.3 35.3 20.6 351 357 A L H X> S+ 0 0 26 -3,-0.7 4,-3.0 1,-0.2 3,-0.8 0.876 118.9 38.9 -37.2 -76.5 7.5 31.8 19.9 352 358 A A H 3> S+ 0 0 7 -4,-0.4 4,-5.8 1,-0.3 5,-0.4 0.899 111.4 57.0 -46.5 -54.9 4.7 29.6 21.4 353 359 A E H 3X S+ 0 0 116 -4,-2.3 4,-2.3 2,-0.2 -1,-0.3 0.897 116.7 41.2 -44.8 -41.7 1.8 31.9 20.3 354 360 A E H < S+ 0 0 45 -4,-5.8 3,-1.1 1,-0.3 -1,-0.2 0.963 111.3 44.3 -66.4 -49.1 0.7 27.1 18.9 357 363 A K H 3< S+ 0 0 142 -4,-2.3 -1,-0.3 -5,-0.4 -2,-0.2 0.801 106.0 66.6 -64.2 -23.8 -1.3 28.8 16.1 358 364 A S H 3< S+ 0 0 92 -4,-2.6 -1,-0.3 -5,-0.1 -2,-0.2 0.870 85.8 87.1 -58.7 -39.4 0.9 26.9 13.6 359 365 A L S << S- 0 0 33 -4,-1.3 -3,-0.0 -3,-1.1 0, 0.0 -0.069 72.5-136.6 -65.6 165.9 -0.4 23.5 14.5 360 366 A P S S+ 0 0 118 0, 0.0 -1,-0.1 0, 0.0 0, 0.0 0.906 80.0 57.8 -75.4 -84.1 -3.5 21.8 13.1 361 367 A F S S- 0 0 98 1,-0.0 -2,-0.0 0, 0.0 0, 0.0 0.337 87.7-105.9 -41.7 175.9 -5.2 20.4 16.1 362 368 A K - 0 0 154 1,-0.2 2,-0.2 0, 0.0 -3,-0.1 0.993 36.8-130.3 -65.3 -78.5 -6.5 22.2 19.3 363 369 A L - 0 0 29 4,-0.0 2,-0.3 5,-0.0 -1,-0.2 -0.623 26.0-103.4 126.4 170.9 -4.3 21.5 22.4 364 370 A T > - 0 0 19 -2,-0.2 4,-2.0 1,-0.1 5,-0.1 -0.888 14.8-121.7-125.2 161.3 -5.7 20.4 25.7 365 371 A N H > S+ 0 0 142 -2,-0.3 4,-1.9 1,-0.2 -1,-0.1 0.767 118.1 57.8 -72.2 -20.1 -6.3 22.3 28.9 366 372 A A H > S+ 0 0 11 170,-0.3 4,-2.7 2,-0.2 5,-0.2 0.973 107.1 40.3 -63.3 -60.6 -4.0 19.7 30.2 367 373 A Q H > S+ 0 0 11 1,-0.3 4,-2.0 2,-0.2 -2,-0.2 0.869 110.2 62.9 -63.6 -29.2 -1.1 20.3 27.9 368 374 A K H >X S+ 0 0 85 -4,-2.0 4,-1.8 1,-0.2 3,-0.9 0.978 106.2 43.6 -57.5 -55.2 -1.8 23.9 28.5 369 375 A R H 3X S+ 0 0 114 -4,-1.9 4,-2.4 1,-0.3 5,-0.3 0.923 104.3 60.7 -53.9 -54.2 -1.1 23.4 32.1 370 376 A A H 3X S+ 0 0 0 -4,-2.7 4,-2.2 1,-0.2 -1,-0.3 0.908 112.7 45.8 -31.4 -44.0 2.0 21.3 31.3 371 377 A H H X S+ 0 0 29 -4,-1.8 4,-3.1 1,-0.2 3,-1.5 0.927 112.6 46.3 -28.9 -74.4 7.7 28.2 31.8 376 382 A N H 3X S+ 0 0 90 -4,-0.9 4,-1.0 1,-0.3 -1,-0.2 0.744 113.0 46.8 -47.1 -43.1 7.2 29.3 35.3 377 383 A D H 3< S+ 0 0 22 -4,-2.1 -1,-0.3 -3,-0.4 5,-0.2 0.729 114.2 47.9 -75.8 -29.2 9.6 26.8 36.9 378 384 A M H << S+ 0 0 10 -4,-2.6 -2,-0.2 -3,-1.5 -35,-0.2 0.962 112.0 51.7 -71.5 -53.1 12.3 27.5 34.3 379 385 A I H < S+ 0 0 53 -4,-3.1 -2,-0.2 -5,-0.3 -1,-0.2 0.659 90.6 101.9 -44.5 -35.6 11.7 31.2 34.9 380 386 A S S < S- 0 0 56 -4,-1.0 -37,-0.2 -5,-0.3 -3,-0.0 -0.294 91.5-105.3 -67.0 146.8 12.1 30.7 38.7 381 387 A E S S+ 0 0 148 -39,-0.1 -39,-0.7 -37,-0.1 -1,-0.1 0.434 98.7 44.3 -56.6 3.6 15.4 31.7 40.3 382 388 A K S S- 0 0 79 1,-0.3 -39,-0.3 -5,-0.2 -2,-0.1 -0.712 95.9 -57.6-139.3-170.4 16.3 28.1 40.6 383 389 A P - 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0 0 104 4,-0.1 2,-0.2 1,-0.1 -3,-0.0 0.276 50.0-152.6 28.4-169.0 -6.0 -19.3 36.7 679 698 A G >> - 0 0 29 1,-0.0 4,-3.7 0, 0.0 5,-0.6 -0.733 27.4 -8.0-162.1-151.6 -8.9 -17.4 38.0 680 699 A E H >5S+ 0 0 146 1,-0.3 4,-9.8 2,-0.3 5,-0.5 0.818 121.8 37.8 -32.0 -81.9 -10.9 -14.7 39.8 681 700 A E H >5S+ 0 0 125 2,-0.2 4,-1.1 3,-0.2 -1,-0.3 0.900 126.4 44.3 -43.7 -44.4 -8.3 -12.6 41.5 682 701 A A H >>5S+ 0 0 18 -3,-0.2 3,-2.1 2,-0.2 4,-1.4 0.992 127.0 27.6 -59.5 -76.2 -6.2 -13.2 38.4 683 702 A M H 3X5S+ 0 0 57 -4,-3.7 4,-2.7 1,-0.3 5,-0.4 0.769 109.3 72.8 -60.8 -25.0 -8.9 -12.6 35.9 684 703 A E H 3X< S+ 0 0 4 -4,-2.7 3,-3.5 1,-0.2 -2,-0.2 0.962 103.1 57.3 -46.6 -62.7 -7.6 -4.0 32.7 690 709 A T H 3< S+ 0 0 29 -4,-2.4 -144,-0.3 1,-0.3 -1,-0.2 0.686 110.6 41.9 -50.1 -31.9 -9.7 -4.4 29.6 691 710 A L T << S+ 0 0 126 -4,-0.8 2,-1.0 -3,-0.7 -1,-0.3 0.129 86.5 107.9-104.1 24.8 -12.2 -1.9 30.6 692 711 A N < - 0 0 31 -3,-3.5 -1,-0.1 1,-0.1 6,-0.1 -0.659 42.3-178.8-111.1 81.8 -9.7 0.6 31.9 693 712 A T + 0 0 96 -2,-1.0 2,-0.4 2,-0.1 -1,-0.1 0.480 68.5 57.7 -42.3 -10.3 -9.7 3.4 29.4 694 713 A D - 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