==== 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 TRANSPORT PROTEIN 02-MAY-07 2YYZ . COMPND 2 MOLECULE: SUGAR ABC TRANSPORTER, ATP-BINDING PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: THERMOTOGA MARITIMA; . AUTHOR A.S.ETHAYATHULLAH,Y.BESSHO,B.PADMANABHAN,T.P.SINGH,P.KAUR,S. . 358 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 18214.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 241 67.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 22 6.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 80 22.3 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 6 1.7 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 . 30 8.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 36 10.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 62 17.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 0.8 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 1 0 3 1 0 2 0 0 0 1 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 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 PARALLEL BRIDGES PER LADDER . 2 1 1 3 5 0 1 1 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 1 1 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 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 P 0 0 18 0, 0.0 27,-0.4 0, 0.0 2,-0.1 0.000 360.0 360.0 360.0 154.7 11.1 2.6 19.2 2 3 A S - 0 0 40 25,-0.2 60,-1.9 26,-0.1 2,-0.4 -0.410 360.0-145.0 -62.8 157.7 9.5 -0.3 17.3 3 4 A I E -AB 25 61A 1 22,-2.4 22,-3.6 58,-0.2 2,-0.4 -0.996 17.4-178.6-130.7 125.2 7.1 0.7 14.6 4 5 A R E -AB 24 60A 116 56,-2.0 56,-2.6 -2,-0.4 2,-0.4 -0.997 5.4-168.0-121.7 127.7 4.0 -1.5 13.8 5 6 A V E -AB 23 59A 2 18,-3.3 18,-1.5 -2,-0.4 2,-0.4 -0.942 5.4-164.6-112.2 143.9 1.6 -0.6 11.0 6 7 A V E - B 0 58A 34 52,-2.4 52,-2.2 -2,-0.4 16,-0.2 -0.974 65.3 -28.7-137.1 118.5 -1.8 -2.4 10.8 7 8 A N E S- 0 0 100 -2,-0.4 15,-0.2 50,-0.2 2,-0.2 0.821 83.9-170.9 45.7 42.3 -4.1 -2.5 7.8 8 9 A L E +A 21 0A 0 13,-2.8 12,-1.9 50,-0.2 13,-1.3 -0.432 9.2 176.8 -72.5 132.0 -2.7 0.9 6.8 9 10 A K E -AB 19 56A 63 47,-2.8 46,-2.6 10,-0.2 47,-1.3 -0.972 18.2-178.6-131.6 149.3 -4.5 2.7 4.0 10 11 A K E -A 18 0A 34 8,-2.5 8,-2.2 -2,-0.3 7,-0.5 -0.892 11.9-175.2-145.2 114.1 -4.2 6.1 2.2 11 12 A Y E - 0 0 53 -2,-0.3 2,-0.5 5,-0.2 5,-0.2 -0.859 16.9-160.8-104.8 143.2 -6.6 7.0 -0.5 12 13 A F E > -A 15 0A 75 3,-2.7 3,-2.4 -2,-0.4 2,-0.2 -0.897 69.8 -66.4-116.8 94.6 -6.4 10.2 -2.7 13 14 A G T 3 S- 0 0 75 -2,-0.5 -1,-0.1 1,-0.3 0, 0.0 -0.439 122.0 -8.5 56.0-123.3 -10.0 10.3 -4.0 14 15 A K T 3 S+ 0 0 187 -2,-0.2 2,-0.7 -3,-0.1 -1,-0.3 0.632 114.8 101.9 -75.7 -15.8 -10.2 7.2 -6.3 15 16 A V E < -A 12 0A 71 -3,-2.4 -3,-2.7 1,-0.1 2,-1.7 -0.622 57.9-160.0 -81.0 112.0 -6.5 6.5 -6.0 16 17 A K E + 0 0 111 -2,-0.7 3,-0.2 -5,-0.2 -5,-0.2 -0.569 24.5 164.8 -89.3 72.4 -5.8 3.7 -3.6 17 18 A A E S+ 0 0 16 -2,-1.7 2,-0.5 -7,-0.5 -1,-0.2 0.909 75.3 20.7 -61.5 -48.2 -2.2 4.7 -3.2 18 19 A V E S-A 10 0A 0 -8,-2.2 -8,-2.5 -3,-0.2 -1,-0.3 -0.990 75.9-175.8-122.5 117.8 -1.7 2.5 -0.1 19 20 A D E -A 9 0A 29 190,-2.9 -10,-0.2 -2,-0.5 -11,-0.1 -0.293 61.6 -41.3-118.1 50.9 -4.4 -0.2 0.1 20 21 A G E + 0 0 27 -12,-1.9 191,-0.5 36,-0.1 2,-0.4 0.844 69.0 174.4 98.4 84.0 -4.0 -2.1 3.4 21 22 A V E -A 8 0A 2 -13,-1.3 -13,-2.8 189,-0.1 2,-0.4 -0.959 10.7-170.1-126.4 141.9 -0.5 -2.9 4.5 22 23 A S E + 0 0 57 -2,-0.4 2,-0.3 -16,-0.2 -16,-0.2 -0.997 23.3 130.1-133.3 127.1 0.8 -4.5 7.7 23 24 A F E -A 5 0A 11 -18,-1.5 -18,-3.3 -2,-0.4 2,-0.4 -0.971 35.5-136.1-163.2 163.5 4.4 -4.8 9.0 24 25 A E E -A 4 0A 59 -2,-0.3 2,-0.4 -20,-0.2 -20,-0.3 -0.978 5.2-156.6-129.1 147.9 6.5 -4.2 12.0 25 26 A V E -A 3 0A 1 -22,-3.6 -22,-2.4 -2,-0.4 2,-0.1 -0.969 23.1-128.6-119.0 129.1 10.0 -2.7 12.4 26 27 A K > - 0 0 109 -2,-0.4 3,-1.8 -24,-0.2 2,-0.2 -0.443 39.2 -87.3 -72.1 154.6 12.1 -3.7 15.5 27 28 A D T 3 S+ 0 0 105 1,-0.3 -25,-0.2 -2,-0.1 -1,-0.1 -0.465 118.3 12.4 -61.3 126.2 13.6 -0.9 17.6 28 29 A G T 3 S+ 0 0 23 -27,-0.4 -1,-0.3 1,-0.3 155,-0.1 0.299 98.2 133.5 87.9 -7.9 17.0 -0.1 16.0 29 30 A E < - 0 0 20 -3,-1.8 157,-2.7 154,-0.1 2,-0.6 -0.390 53.1-135.9 -74.6 150.8 16.2 -2.1 12.8 30 31 A F E -d 186 0B 8 155,-0.2 171,-3.1 -3,-0.1 172,-1.0 -0.955 29.1-179.3-106.9 116.1 16.9 -0.7 9.3 31 32 A V E -de 187 202B 0 155,-3.0 157,-2.5 -2,-0.6 2,-0.4 -0.978 14.8-148.7-123.4 133.0 14.0 -1.5 7.0 32 33 A A E -de 188 203B 0 170,-1.8 172,-3.0 -2,-0.4 2,-0.7 -0.816 4.9-151.2 -98.8 137.6 13.6 -0.6 3.3 33 34 A L E -de 189 204B 0 155,-2.9 157,-2.2 -2,-0.4 2,-0.4 -0.944 32.4-176.8-102.1 112.5 10.3 0.1 1.5 34 35 A L E +de 190 205B 0 170,-2.8 172,-3.2 -2,-0.7 157,-0.2 -0.907 18.7 99.0-122.6 138.3 11.0 -1.0 -2.0 35 36 A G - 0 0 0 155,-1.2 172,-0.1 -2,-0.4 3,-0.1 -0.911 62.3 -63.8 169.2 174.4 9.1 -0.9 -5.3 36 37 A P S > S- 0 0 42 0, 0.0 3,-1.6 0, 0.0 5,-0.3 -0.139 70.7 -70.7 -69.5 169.7 8.5 0.8 -8.6 37 38 A S T 3 S+ 0 0 118 1,-0.2 154,-0.0 2,-0.1 0, 0.0 -0.360 123.9 27.9 -55.9 136.3 7.2 4.4 -9.0 38 39 A G T 3 S+ 0 0 72 -3,-0.1 -1,-0.2 169,-0.1 169,-0.1 0.473 84.3 116.9 88.1 4.6 3.5 4.5 -8.0 39 40 A C S < S- 0 0 3 -3,-1.6 170,-1.8 169,-0.2 168,-0.3 0.612 84.2-113.3 -80.7 -16.0 3.7 1.5 -5.6 40 41 A G S > S+ 0 0 8 -4,-0.2 4,-2.1 168,-0.1 5,-0.2 0.352 79.5 123.3 100.6 -3.0 2.8 3.5 -2.5 41 42 A K H > S+ 0 0 13 -5,-0.3 4,-2.1 1,-0.2 5,-0.1 0.862 76.0 46.9 -55.3 -44.1 6.1 3.3 -0.6 42 43 A T H > S+ 0 0 48 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.924 111.1 50.7 -69.0 -44.3 6.6 7.1 -0.3 43 44 A T H > S+ 0 0 19 1,-0.2 4,-1.5 2,-0.2 -2,-0.2 0.887 110.3 52.2 -59.0 -37.1 3.0 7.7 0.9 44 45 A T H X S+ 0 0 0 -4,-2.1 4,-2.1 1,-0.2 3,-0.3 0.941 108.7 49.4 -63.8 -46.6 3.6 5.0 3.5 45 46 A L H X S+ 0 0 0 -4,-2.1 4,-1.9 1,-0.2 -2,-0.2 0.900 109.4 51.9 -59.4 -42.0 6.8 6.7 4.6 46 47 A L H X>S+ 0 0 35 -4,-2.5 5,-2.2 2,-0.2 6,-1.4 0.791 107.0 53.3 -68.4 -28.1 4.9 10.1 4.9 47 48 A M H <5S+ 0 0 0 -4,-1.5 3,-0.3 -3,-0.3 -1,-0.2 0.889 107.7 50.7 -68.9 -41.5 2.2 8.4 7.1 48 49 A L H <5S+ 0 0 0 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.872 110.1 50.4 -62.0 -37.1 5.0 7.1 9.4 49 50 A A H <5S- 0 0 0 -4,-1.9 -1,-0.2 -5,-0.2 -2,-0.2 0.734 113.9-121.9 -67.5 -27.3 6.3 10.7 9.5 50 51 A G T <5S+ 0 0 16 -4,-0.8 -3,-0.2 -3,-0.3 -2,-0.1 0.550 82.6 118.3 90.6 10.2 2.8 11.9 10.4 51 52 A I S S-BC 3 64A 18 3,-2.1 3,-1.9 -2,-0.4 -58,-0.2 -0.993 79.6 -41.6-109.1 117.7 5.6 3.7 18.0 62 63 A D T 3 S- 0 0 87 -60,-1.9 -58,-0.1 -2,-0.5 -2,-0.0 -0.417 128.9 -20.2 53.1-128.1 6.4 1.2 20.7 63 64 A D T 3 S+ 0 0 150 -2,-0.1 2,-0.3 -3,-0.1 -1,-0.3 0.697 118.9 98.8 -73.9 -17.2 3.1 0.7 22.7 64 65 A V E < -C 61 0A 89 -3,-1.9 -3,-2.1 1,-0.1 2,-0.5 -0.570 69.2-133.4-104.6 129.8 1.5 3.9 21.4 65 66 A L E +C 60 0A 86 -2,-0.3 -5,-0.3 -5,-0.2 3,-0.2 -0.599 27.5 175.5 -70.1 118.3 -1.0 4.8 18.7 66 67 A V > + 0 0 10 -7,-3.1 3,-2.3 -2,-0.5 -6,-0.1 0.336 39.8 114.8-113.2 7.3 0.5 7.8 16.9 67 68 A N T 3 S+ 0 0 26 -8,-0.6 -1,-0.1 1,-0.3 -7,-0.1 0.847 88.5 36.0 -42.2 -46.5 -1.9 8.4 14.0 68 69 A D T 3 S+ 0 0 119 -3,-0.2 -1,-0.3 -15,-0.1 -2,-0.1 0.349 91.8 110.2 -97.2 4.8 -3.0 11.7 15.4 69 70 A I S < S- 0 0 66 -3,-2.3 5,-0.1 1,-0.1 -3,-0.1 -0.721 71.7-121.7 -85.4 122.1 0.4 12.7 16.7 70 71 A P >> - 0 0 62 0, 0.0 3,-1.0 0, 0.0 4,-0.5 -0.218 29.4-102.0 -58.4 154.9 2.0 15.6 14.7 71 72 A P G >4>S+ 0 0 49 0, 0.0 5,-1.0 0, 0.0 3,-0.8 0.798 117.0 52.5 -49.9 -40.9 5.4 15.0 13.1 72 73 A K G 345S+ 0 0 161 1,-0.2 3,-0.3 2,-0.2 -22,-0.0 0.767 107.2 51.4 -72.9 -25.2 7.5 17.0 15.7 73 74 A Y G <45S+ 0 0 160 -3,-1.0 -1,-0.2 1,-0.2 -4,-0.0 0.507 101.8 62.8 -88.0 -5.1 6.1 15.1 18.7 74 75 A R T <<5S- 0 0 9 -3,-0.8 -1,-0.2 -4,-0.5 -2,-0.2 0.627 102.1-134.9 -86.5 -16.8 6.9 11.8 16.9 75 76 A E T 5 + 0 0 86 -4,-0.5 77,-3.0 -3,-0.3 78,-1.5 0.880 47.0 159.7 61.1 40.7 10.6 12.7 17.0 76 77 A V E < -f 153 0B 28 -5,-1.0 2,-0.5 75,-0.2 -1,-0.2 -0.728 30.1-154.7 -91.6 139.7 11.1 11.7 13.4 77 78 A G E -f 154 0B 8 76,-3.0 78,-3.2 -2,-0.3 2,-0.4 -0.980 11.2-149.7-115.6 124.5 14.0 12.9 11.3 78 79 A M E -f 155 0B 37 -2,-0.5 2,-0.5 76,-0.2 78,-0.2 -0.756 6.2-161.7 -99.6 138.6 13.5 13.0 7.6 79 80 A V E -f 156 0B 9 76,-2.9 78,-3.2 -2,-0.4 2,-0.1 -0.977 17.1-162.9-123.8 118.3 16.4 12.6 5.1 80 81 A F - 0 0 101 -2,-0.5 78,-0.1 2,-0.3 62,-0.0 -0.458 33.3-112.0-104.4 168.1 15.8 13.8 1.5 81 82 A Q S S+ 0 0 70 76,-0.2 2,-0.4 -2,-0.1 81,-0.4 0.723 106.0 57.5 -65.9 -31.1 17.2 13.4 -2.0 82 83 A N S S- 0 0 105 1,-0.1 -2,-0.3 79,-0.1 -1,-0.0 -0.934 77.7-144.0-108.5 133.8 18.4 17.0 -2.0 83 84 A Y - 0 0 18 -2,-0.4 -1,-0.1 1,-0.1 -3,-0.0 0.678 20.2-152.1 -70.0 -21.3 20.8 18.1 0.8 84 85 A A + 0 0 73 1,-0.2 2,-0.2 -3,-0.0 -1,-0.1 0.855 32.4 165.5 51.7 43.7 19.2 21.6 1.0 85 86 A L - 0 0 25 45,-0.0 -1,-0.2 1,-0.0 6,-0.1 -0.605 40.3-125.2 -88.3 149.8 22.5 23.2 2.2 86 87 A Y > - 0 0 102 -2,-0.2 3,-1.8 4,-0.2 8,-0.1 -0.867 15.3-160.7 -91.0 107.0 23.1 27.0 2.3 87 88 A P T 3 S+ 0 0 71 0, 0.0 44,-0.3 0, 0.0 -1,-0.1 0.645 89.6 59.5 -65.2 -11.4 26.3 27.6 0.3 88 89 A H T 3 S+ 0 0 138 41,-0.1 2,-0.3 2,-0.1 -2,-0.0 0.523 99.3 71.4 -89.3 -7.9 26.8 31.0 2.0 89 90 A M S < S- 0 0 29 -3,-1.8 2,-0.1 1,-0.1 -4,-0.0 -0.753 87.7-112.4-102.8 155.6 26.9 29.3 5.4 90 91 A T > - 0 0 18 -2,-0.3 4,-2.5 39,-0.2 39,-0.3 -0.319 31.9-105.1 -76.8 168.0 29.7 27.2 6.8 91 92 A V H > S+ 0 0 0 37,-3.0 4,-2.6 34,-0.4 5,-0.3 0.941 124.4 52.3 -58.3 -46.5 29.3 23.5 7.5 92 93 A F H > S+ 0 0 38 34,-2.7 4,-2.6 36,-0.3 -1,-0.2 0.939 111.8 44.9 -51.3 -52.5 29.1 24.3 11.2 93 94 A E H > S+ 0 0 88 33,-0.3 4,-1.4 2,-0.2 -1,-0.2 0.821 110.8 55.1 -64.9 -33.2 26.3 26.9 10.6 94 95 A N H < S+ 0 0 1 -4,-2.5 -1,-0.2 2,-0.2 -2,-0.2 0.930 114.0 39.5 -64.7 -45.0 24.6 24.4 8.2 95 96 A I H < S+ 0 0 0 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.844 117.0 50.2 -70.9 -36.7 24.5 21.7 10.9 96 97 A A H >< S+ 0 0 14 -4,-2.6 3,-2.7 -5,-0.3 -1,-0.2 0.736 86.5 94.8 -72.1 -23.7 23.7 24.2 13.7 97 98 A F G >< S+ 0 0 53 -4,-1.4 3,-1.9 1,-0.3 -1,-0.2 0.777 78.7 50.9 -42.8 -53.1 20.8 25.7 11.7 98 99 A P G 3 S+ 0 0 30 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.691 103.5 64.6 -63.0 -12.7 17.9 23.7 13.1 99 100 A L G < S+ 0 0 14 -3,-2.7 3,-0.5 -4,-0.2 2,-0.3 0.197 76.4 109.6 -94.6 13.7 19.2 24.8 16.6 100 101 A R S < S+ 0 0 150 -3,-1.9 3,-0.1 1,-0.2 -3,-0.0 -0.714 75.2 32.0 -81.0 144.2 18.5 28.4 15.9 101 102 A A S S+ 0 0 109 -2,-0.3 -1,-0.2 1,-0.2 -2,-0.1 0.118 104.8 88.9 89.5 -16.4 15.5 29.8 18.0 102 103 A R S S- 0 0 103 -3,-0.5 -1,-0.2 1,-0.2 2,-0.1 0.402 70.2-142.9 -76.4-139.4 16.5 27.4 20.9 103 104 A R + 0 0 214 1,-0.1 6,-0.3 -3,-0.1 5,-0.2 -0.417 45.9 129.7-153.2-126.4 19.0 28.6 23.5 104 105 A I S >>>S- 0 0 94 -2,-0.1 4,-1.2 4,-0.1 3,-0.7 0.975 80.0 -58.3 43.6 86.8 21.8 27.2 25.7 105 106 A S H >>5 - 0 0 88 1,-0.2 2,-2.3 2,-0.2 3,-0.9 0.652 67.8 -72.4 43.0 158.2 24.8 29.6 25.3 106 107 A K H 345S+ 0 0 191 1,-0.2 -1,-0.2 2,-0.1 -2,-0.1 -0.423 129.9 27.4 -75.9 56.5 26.8 30.7 22.2 107 108 A D H <45S+ 0 0 48 -2,-2.3 -1,-0.2 -3,-0.7 -2,-0.2 0.554 75.6 97.4 150.5 39.1 28.2 27.1 22.2 108 109 A E H XX5S+ 0 0 65 -4,-1.2 4,-2.2 -3,-0.9 3,-0.6 0.753 97.8 61.8 -75.6 -45.0 26.3 24.2 23.7 109 110 A V T 3< S+ 0 0 77 -18,-0.1 4,-2.6 -2,-0.1 -1,-0.2 -0.367 112.7 54.4 91.3 -52.9 29.3 23.7 18.6 111 112 A K H <> S+ 0 0 136 -3,-0.6 4,-1.8 -2,-0.6 -2,-0.2 0.888 113.7 40.2 -73.0 -43.7 29.6 20.9 21.2 112 113 A R H X S+ 0 0 21 -4,-2.2 4,-1.6 2,-0.2 -3,-0.2 0.827 120.4 46.3 -69.7 -34.0 26.5 19.3 19.8 113 114 A V H > S+ 0 0 0 -5,-0.2 4,-2.8 2,-0.2 -2,-0.2 0.921 114.2 44.4 -77.3 -47.8 27.7 20.1 16.3 114 115 A V H X S+ 0 0 33 -4,-2.6 4,-3.0 2,-0.2 5,-0.2 0.890 110.8 57.9 -63.4 -39.6 31.3 18.9 16.6 115 116 A E H X S+ 0 0 106 -4,-1.8 4,-1.8 2,-0.2 -2,-0.2 0.944 113.8 36.5 -54.1 -55.3 30.0 15.8 18.5 116 117 A I H X S+ 0 0 11 -4,-1.6 4,-2.0 2,-0.2 -2,-0.2 0.908 115.7 54.8 -65.0 -43.0 27.8 14.8 15.5 117 118 A A H <>S+ 0 0 0 -4,-2.8 5,-2.6 2,-0.2 6,-0.8 0.878 107.0 51.2 -57.9 -41.3 30.4 16.0 12.9 118 119 A R H ><5S+ 0 0 141 -4,-3.0 3,-1.5 1,-0.2 -1,-0.2 0.940 108.4 51.1 -64.0 -44.9 33.1 13.8 14.6 119 120 A K H 3<5S+ 0 0 129 -4,-1.8 -1,-0.2 1,-0.3 -2,-0.2 0.875 114.0 45.3 -55.1 -38.2 30.8 10.7 14.4 120 121 A L T 3<5S- 0 0 9 -4,-2.0 -1,-0.3 -5,-0.1 -2,-0.2 0.371 113.0-120.0 -91.8 3.3 30.2 11.5 10.7 121 122 A L T < 5S+ 0 0 143 -3,-1.5 -3,-0.2 -4,-0.3 -2,-0.1 0.861 88.0 103.6 60.9 41.5 34.0 12.1 10.0 122 123 A I > < + 0 0 1 -5,-2.6 3,-2.2 -8,-0.1 4,-0.3 0.184 35.1 108.4-133.0 8.8 33.4 15.7 8.9 123 124 A D G > S+ 0 0 58 -6,-0.8 3,-0.7 1,-0.3 4,-0.2 0.775 77.9 60.5 -61.9 -24.1 34.6 17.6 12.0 124 125 A N G 3 S+ 0 0 112 1,-0.2 -1,-0.3 -7,-0.2 -2,-0.0 0.260 103.3 52.1 -82.9 10.8 37.7 18.6 9.9 125 126 A L G X S+ 0 0 9 -3,-2.2 3,-1.3 3,-0.1 -34,-0.4 0.332 74.9 107.7-123.7 3.1 35.3 20.4 7.4 126 127 A L T < S+ 0 0 21 -3,-0.7 -34,-2.7 -4,-0.3 -33,-0.3 0.737 78.8 46.8 -59.2 -33.9 33.3 22.6 9.9 127 128 A D T 3 S+ 0 0 137 -36,-0.2 -1,-0.3 -4,-0.2 2,-0.1 0.549 100.0 87.6 -90.8 -6.0 34.8 26.0 8.9 128 129 A R S < S- 0 0 114 -3,-1.3 -37,-3.0 -38,-0.1 -36,-0.3 -0.298 74.8-121.8 -84.6 172.9 34.4 25.3 5.2 129 130 A K > - 0 0 90 -39,-0.3 3,-1.5 -38,-0.1 4,-0.2 -0.856 27.6-103.9-120.2 152.2 31.3 26.0 3.0 130 131 A P G > S+ 0 0 6 0, 0.0 3,-1.5 0, 0.0 8,-0.1 0.690 109.9 67.1 -48.8 -33.8 29.2 23.5 0.8 131 132 A T G 3 S+ 0 0 118 -44,-0.3 -43,-0.0 1,-0.3 -3,-0.0 0.861 101.1 48.9 -59.5 -35.9 30.6 24.6 -2.6 132 133 A Q G < S+ 0 0 121 -3,-1.5 2,-0.3 2,-0.0 -1,-0.3 0.433 97.7 96.0 -86.0 3.2 34.1 23.2 -1.7 133 134 A L S < S- 0 0 13 -3,-1.5 2,-0.0 -4,-0.2 -8,-0.0 -0.701 72.6-126.1 -94.9 142.5 32.6 19.9 -0.5 134 135 A S > - 0 0 62 -2,-0.3 4,-2.2 1,-0.1 5,-0.1 -0.240 33.3-101.0 -72.0 172.1 32.2 16.7 -2.6 135 136 A G H > S+ 0 0 27 2,-0.2 4,-2.0 1,-0.2 5,-0.1 0.870 123.8 49.7 -64.7 -42.2 28.8 14.9 -3.0 136 137 A G H > S+ 0 0 7 2,-0.2 4,-1.4 1,-0.2 -1,-0.2 0.900 112.8 47.6 -62.4 -41.5 29.7 12.3 -0.3 137 138 A Q H > S+ 0 0 56 2,-0.2 4,-1.7 1,-0.2 -2,-0.2 0.871 110.0 51.7 -69.7 -37.8 30.7 15.1 2.1 138 139 A Q H X S+ 0 0 47 -4,-2.2 4,-2.2 2,-0.2 -1,-0.2 0.890 106.8 54.3 -64.5 -39.8 27.5 17.1 1.4 139 140 A Q H X S+ 0 0 3 -4,-2.0 4,-2.0 1,-0.2 -1,-0.2 0.863 107.7 51.0 -58.0 -39.1 25.4 14.0 2.1 140 141 A R H X S+ 0 0 47 -4,-1.4 4,-2.8 2,-0.2 -1,-0.2 0.838 107.6 52.3 -71.1 -35.9 27.2 13.7 5.5 141 142 A V H X S+ 0 0 1 -4,-1.7 4,-2.6 2,-0.2 -2,-0.2 0.940 110.0 48.7 -62.5 -48.1 26.5 17.4 6.3 142 143 A A H X S+ 0 0 11 -4,-2.2 4,-1.7 2,-0.2 -2,-0.2 0.893 113.9 46.3 -57.9 -43.5 22.8 16.9 5.6 143 144 A L H X S+ 0 0 2 -4,-2.0 4,-2.6 2,-0.2 -2,-0.2 0.917 110.3 52.6 -68.4 -44.1 22.7 13.7 7.8 144 145 A A H X S+ 0 0 0 -4,-2.8 4,-1.5 1,-0.2 -2,-0.2 0.912 108.7 52.4 -51.7 -44.7 24.6 15.5 10.6 145 146 A R H < S+ 0 0 44 -4,-2.6 4,-0.4 1,-0.2 -2,-0.2 0.881 110.9 46.0 -60.8 -41.5 22.0 18.2 10.4 146 147 A A H >< S+ 0 0 8 -4,-1.7 3,-0.9 1,-0.2 -2,-0.2 0.899 113.6 49.4 -65.7 -41.3 19.1 15.7 10.7 147 148 A L H >< S+ 0 0 17 -4,-2.6 3,-1.7 1,-0.2 -2,-0.2 0.691 93.8 72.5 -74.9 -21.3 20.8 13.9 13.6 148 149 A V T 3< S+ 0 0 1 -4,-1.5 -1,-0.2 1,-0.3 -2,-0.1 0.725 90.6 60.0 -69.9 -21.0 21.6 17.0 15.6 149 150 A K T < S- 0 0 109 -3,-0.9 -1,-0.3 -4,-0.4 -2,-0.2 0.453 111.5-125.9 -80.7 -0.8 17.9 17.2 16.5 150 151 A Q < - 0 0 126 -3,-1.7 -3,-0.1 1,-0.1 -2,-0.1 0.944 33.4-164.5 53.0 60.7 18.2 13.8 18.1 151 152 A P - 0 0 11 0, 0.0 -75,-0.2 0, 0.0 3,-0.1 -0.363 20.5-152.4 -68.7 153.4 15.5 12.0 16.2 152 153 A K S S+ 0 0 115 -77,-3.0 33,-0.6 1,-0.3 2,-0.4 0.570 87.3 37.4 -94.9 -19.9 14.2 8.6 17.6 153 154 A V E S-fg 76 185B 0 -78,-1.5 -76,-3.0 31,-0.1 2,-0.5 -0.999 72.4-153.6-135.4 130.4 13.2 7.5 14.1 154 155 A L E -fg 77 186B 3 31,-2.9 33,-2.1 -2,-0.4 2,-0.6 -0.909 7.6-166.0-103.9 128.5 15.1 8.2 10.8 155 156 A L E -fg 78 187B 0 -78,-3.2 -76,-2.9 -2,-0.5 2,-0.5 -0.925 6.0-165.2-117.7 109.4 13.0 8.3 7.6 156 157 A F E -fg 79 188B 4 31,-2.6 33,-3.1 -2,-0.6 2,-0.6 -0.805 6.3-167.7 -96.8 130.9 15.0 8.2 4.4 157 158 A D E S- g 0 189B 22 -78,-3.2 -76,-0.2 -2,-0.5 33,-0.1 -0.896 71.3 -51.4-118.3 100.2 13.4 9.1 1.1 158 159 A E S > S+ 0 0 12 31,-2.4 3,-1.3 -2,-0.6 4,-0.3 0.862 75.7 171.4 42.3 50.2 15.7 8.1 -1.9 159 160 A P T 3 S+ 0 0 1 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 0.642 70.6 44.2 -71.7 -9.3 18.6 10.0 -0.2 160 161 A L T > S+ 0 0 0 1,-0.1 3,-1.5 2,-0.1 -2,-0.1 0.428 82.7 101.2-107.4 -2.4 21.3 8.7 -2.7 161 162 A S T < S+ 0 0 43 -3,-1.3 -1,-0.1 1,-0.3 4,-0.1 0.716 81.6 46.6 -65.0 -28.1 19.3 9.2 -5.9 162 163 A N T 3 S+ 0 0 79 -81,-0.4 -1,-0.3 -4,-0.3 2,-0.2 0.577 93.7 101.5 -93.3 1.3 21.0 12.4 -7.1 163 164 A L S < S- 0 0 6 -3,-1.5 5,-0.1 1,-0.1 -3,-0.1 -0.508 87.4 -99.5 -76.7 140.5 24.4 11.0 -6.3 164 165 A D >> - 0 0 105 -2,-0.2 4,-1.3 1,-0.1 3,-0.6 -0.252 37.1-106.7 -63.2 149.0 26.4 9.7 -9.3 165 166 A A H 3> S+ 0 0 55 1,-0.2 4,-0.8 2,-0.2 -1,-0.1 0.770 114.8 50.6 -47.7 -43.5 26.2 5.9 -9.8 166 167 A N H >> S+ 0 0 122 1,-0.2 4,-1.0 2,-0.2 3,-0.5 0.901 110.7 51.6 -63.4 -39.6 29.8 5.0 -8.6 167 168 A L H <> S+ 0 0 52 -3,-0.6 4,-3.0 1,-0.2 5,-0.2 0.766 95.5 69.8 -68.7 -28.5 29.3 6.9 -5.4 168 169 A R H 3X S+ 0 0 73 -4,-1.3 4,-2.3 2,-0.2 -1,-0.2 0.877 96.5 52.8 -61.4 -36.9 26.0 5.2 -4.6 169 170 A M H - 0 0 40 1,-0.1 4,-1.8 -156,-0.1 3,-0.3 -0.811 59.8-162.9 -98.3 110.8 16.5 0.6 -6.4 193 194 A Q H > S+ 0 0 26 -2,-0.7 4,-3.0 1,-0.2 5,-0.2 0.823 89.5 59.5 -57.0 -34.2 16.7 -3.1 -5.4 194 195 A A H > S+ 0 0 29 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.916 106.2 49.6 -64.8 -39.4 20.5 -3.0 -4.9 195 196 A E H > S+ 0 0 6 -3,-0.3 4,-1.3 2,-0.2 5,-0.3 0.951 114.7 41.6 -62.9 -52.3 20.1 -0.3 -2.3 196 197 A A H X S+ 0 0 0 -4,-1.8 4,-1.8 1,-0.2 3,-0.2 0.921 115.0 53.0 -58.9 -43.2 17.4 -2.2 -0.3 197 198 A M H < S+ 0 0 38 -4,-3.0 -2,-0.2 1,-0.2 -1,-0.2 0.877 115.6 37.1 -64.9 -38.0 19.3 -5.6 -0.8 198 199 A T H < S+ 0 0 48 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.630 125.2 34.8 -90.9 -15.4 22.7 -4.3 0.6 199 200 A M H < S+ 0 0 4 -4,-1.3 -3,-0.2 -3,-0.2 -2,-0.2 0.786 96.7 79.7-107.2 -37.1 21.4 -1.9 3.4 200 201 A A < - 0 0 8 -4,-1.8 -169,-0.2 -5,-0.3 3,-0.1 -0.440 54.6-151.9 -90.8 151.0 18.3 -3.3 5.0 201 202 A S S S+ 0 0 58 -171,-3.1 2,-0.3 1,-0.3 -170,-0.2 0.880 95.0 9.1 -71.7 -47.7 17.6 -6.0 7.7 202 203 A R E S-e 31 0B 36 -172,-1.0 -170,-1.8 14,-0.2 2,-0.5 -0.979 72.3-147.4-135.4 148.7 14.2 -6.6 6.1 203 204 A I E -eH 32 215B 0 12,-3.7 12,-2.2 -2,-0.3 2,-0.7 -0.977 3.4-152.4-121.5 124.9 12.6 -5.3 2.9 204 205 A A E -eH 33 214B 0 -172,-3.0 -170,-2.8 -2,-0.5 2,-0.7 -0.881 19.0-152.3 -92.4 113.7 8.9 -4.5 2.4 205 206 A V E -eH 34 213B 0 8,-3.2 7,-2.1 -2,-0.7 8,-1.2 -0.825 13.7-163.6 -99.0 118.3 8.3 -5.1 -1.3 206 207 A F E + H 0 211B 0 -172,-3.2 2,-0.3 -2,-0.7 5,-0.2 -0.743 16.1 174.4-102.5 148.1 5.4 -2.9 -2.6 207 208 A N E > S- H 0 210B 45 3,-2.1 3,-1.8 -2,-0.3 -168,-0.1 -0.887 71.8 -22.5-152.3 119.1 3.4 -3.2 -5.8 208 209 A Q T 3 S- 0 0 158 -2,-0.3 -169,-0.2 1,-0.3 -168,-0.1 0.833 127.0 -45.8 53.0 41.8 0.3 -1.0 -6.6 209 210 A G T 3 S+ 0 0 0 -170,-1.8 -190,-2.9 1,-0.3 2,-0.4 0.461 116.5 107.3 86.1 1.7 -0.5 -0.2 -3.0 210 211 A K E < S-H 207 0B 101 -3,-1.8 -3,-2.1 -192,-0.2 2,-1.0 -0.881 71.5-125.9-111.2 144.0 -0.1 -3.7 -1.6 211 212 A L E -H 206 0B 37 -191,-0.5 -5,-0.2 -2,-0.4 3,-0.1 -0.806 31.2-179.8 -81.8 102.2 2.7 -5.2 0.6 212 213 A V E - 0 0 29 -7,-2.1 2,-0.3 -2,-1.0 -1,-0.2 0.899 63.3 -8.3 -71.6 -44.8 3.6 -8.2 -1.6 213 214 A Q E -H 205 0B 17 -8,-1.2 -8,-3.2 2,-0.1 2,-0.4 -0.984 54.0-161.0-157.5 143.1 6.3 -9.7 0.6 214 215 A Y E +H 204 0B 50 -2,-0.3 2,-0.3 -10,-0.2 -10,-0.2 -0.967 42.5 108.1-129.3 113.1 8.2 -8.6 3.7 215 216 A G E -H 203 0B 0 -12,-2.2 -12,-3.7 -2,-0.4 -2,-0.1 -0.972 64.3 -62.8-167.6 179.8 11.5 -10.3 4.5 216 217 A T > - 0 0 42 -2,-0.3 4,-2.5 -14,-0.3 5,-0.3 -0.294 56.2-102.0 -68.8 161.3 15.3 -10.4 4.7 217 218 A P H > S+ 0 0 28 0, 0.0 4,-1.4 0, 0.0 5,-0.2 0.888 125.8 50.7 -50.2 -43.5 17.3 -9.9 1.5 218 219 A D H > S+ 0 0 111 2,-0.2 4,-3.6 3,-0.2 5,-0.4 0.903 110.9 49.3 -59.5 -44.6 18.0 -13.7 1.5 219 220 A E H > S+ 0 0 102 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.943 112.4 44.0 -63.9 -51.1 14.2 -14.4 1.8 220 221 A V H < S+ 0 0 0 -4,-2.5 -1,-0.2 2,-0.2 -2,-0.2 0.785 121.9 42.2 -67.4 -25.2 13.0 -12.1 -0.9 221 222 A Y H < S+ 0 0 41 -4,-1.4 -2,-0.2 -5,-0.3 -1,-0.2 0.943 122.1 35.5 -83.2 -54.9 15.8 -13.3 -3.2 222 223 A D H < S+ 0 0 79 -4,-3.6 -3,-0.2 1,-0.2 -2,-0.2 0.840 132.0 27.5 -67.1 -40.3 15.7 -17.1 -2.4 223 224 A S S < S- 0 0 75 -4,-2.7 -1,-0.2 -5,-0.4 -2,-0.1 -0.591 74.3-174.6-128.5 70.3 11.9 -17.3 -2.0 224 225 A P - 0 0 3 0, 0.0 132,-0.1 0, 0.0 -4,-0.1 -0.435 25.2-136.7 -66.2 140.0 10.1 -14.7 -4.0 225 226 A K S S- 0 0 97 -2,-0.1 131,-2.2 130,-0.1 2,-0.3 0.861 76.6 -16.3 -63.9 -36.8 6.3 -14.8 -3.3 226 227 A N B > S-I 355 0C 31 129,-0.3 4,-2.0 123,-0.1 129,-0.2 -0.879 83.7 -74.9-155.4 179.7 5.5 -14.4 -7.0 227 228 A M H > S+ 0 0 12 127,-2.1 4,-2.2 -2,-0.3 5,-0.2 0.854 123.3 59.5 -56.4 -40.7 6.7 -13.4 -10.4 228 229 A F H > S+ 0 0 31 2,-0.2 4,-0.8 1,-0.2 -1,-0.2 0.942 107.8 44.5 -54.3 -51.6 6.7 -9.7 -9.5 229 230 A V H >> S+ 0 0 0 1,-0.2 4,-1.5 2,-0.2 3,-0.7 0.901 113.2 51.5 -59.4 -41.6 9.1 -10.2 -6.6 230 231 A A H 3< S+ 0 0 0 -4,-2.0 8,-2.4 1,-0.2 -1,-0.2 0.832 111.2 49.2 -62.6 -32.6 11.3 -12.5 -8.8 231 232 A S H 3< S+ 0 0 42 -4,-2.2 -1,-0.2 6,-0.2 -2,-0.2 0.610 113.3 45.7 -80.0 -16.1 11.3 -9.7 -11.5 232 233 A F H << S+ 0 0 42 -4,-0.8 2,-0.4 -3,-0.7 -39,-0.2 0.690 96.8 74.4-105.5 -21.6 12.2 -6.9 -9.0 233 234 A I S < S+ 0 0 0 -4,-1.5 5,-0.4 -13,-0.2 -39,-0.0 -0.812 88.1 24.4 -99.4 133.6 15.1 -8.4 -7.0 234 235 A G S S- 0 0 15 -2,-0.4 -41,-0.1 3,-0.1 -40,-0.1 0.105 84.5 -90.4 96.4 150.3 18.5 -8.7 -8.6 235 236 A N S S+ 0 0 100 1,-0.4 -1,-0.1 2,-0.1 -3,-0.0 -0.863 126.9 23.6-137.7 102.9 20.2 -6.9 -11.4 236 237 A P S S- 0 0 4 0, 0.0 -1,-0.4 0, 0.0 46,-0.2 0.550 107.1-148.5 -71.5 157.8 19.5 -8.4 -13.8 237 238 A P - 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