==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=27-SEP-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER MEMBRANE PROTEIN 10-APR-13 4K3B . COMPND 2 MOLECULE: OUTER MEMBRANE PROTEIN ASSEMBLY FACTOR BAMA; . SOURCE 2 ORGANISM_SCIENTIFIC: NEISSERIA GONORRHOEAE; . AUTHOR N.NOINAJ,P.LUKACIK,H.CHANG,N.EASLEY,S.K.BUCHANAN . 771 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 40606.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 512 66.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 26 3.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 226 29.3 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 3 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 8 1.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 6 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 5 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 5 0.6 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 . 82 10.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 46 6.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 88 11.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 0.5 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 6 0 0 2 0 1 0 1 0 0 1 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 2 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 PARALLEL BRIDGES PER LADDER . 9 1 4 4 5 1 3 1 2 2 2 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 1 6 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 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 21 A A 0 0 153 0, 0.0 2,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-167.4 -6.6 -91.2 3.2 2 22 A D - 0 0 98 33,-0.0 2,-0.3 2,-0.0 32,-0.1 -0.346 360.0-157.7-114.7-163.9 -8.8 -90.0 0.4 3 23 A F - 0 0 39 30,-0.4 2,-0.4 -2,-0.1 30,-0.1 -0.991 25.3-147.1-169.5 160.1 -12.3 -88.7 0.1 4 24 A T - 0 0 84 -2,-0.3 2,-0.8 28,-0.2 28,-0.2 -0.920 41.6-124.6-144.3 120.6 -15.4 -88.1 -1.8 5 25 A I - 0 0 0 26,-2.3 25,-2.1 -2,-0.4 2,-0.8 -0.606 28.1-179.7 -85.5 109.9 -17.0 -84.9 -0.6 6 26 A Q - 0 0 134 55,-1.7 23,-0.1 -2,-0.8 -1,-0.1 -0.670 67.5 -23.6-104.5 74.5 -20.5 -85.2 0.5 7 27 A D - 0 0 70 -2,-0.8 56,-1.7 21,-0.1 2,-0.3 0.426 59.4-130.9 99.2 138.0 -21.1 -81.6 1.5 8 28 A I E -a 63 0A 15 54,-0.2 2,-0.4 -3,-0.1 56,-0.2 -0.870 9.0-164.6-117.9 147.2 -19.2 -78.6 2.6 9 29 A R E -a 64 0A 142 54,-2.8 56,-1.7 -2,-0.3 2,-0.6 -0.953 6.6-158.3-136.6 116.2 -19.6 -76.1 5.4 10 30 A V E +a 65 0A 18 -2,-0.4 2,-0.5 54,-0.2 56,-0.2 -0.828 15.8 179.6 -89.0 118.4 -17.8 -72.8 5.4 11 31 A E E +a 66 0A 104 54,-3.2 56,-1.4 -2,-0.6 3,-0.1 -0.967 54.3 49.5-128.4 115.7 -17.6 -71.5 8.9 12 32 A G S S+ 0 0 37 1,-0.6 54,-0.1 -2,-0.5 -1,-0.1 -0.251 70.6 104.0 159.8 -60.1 -15.9 -68.2 9.5 13 33 A L - 0 0 37 56,-0.1 -1,-0.6 3,-0.0 3,-0.1 -0.030 41.3-176.3 -53.9 159.9 -17.2 -65.5 7.1 14 34 A Q S S+ 0 0 71 1,-0.1 2,-0.0 -3,-0.1 -1,-0.0 -0.074 72.0 2.4 158.1 83.9 -19.5 -63.0 8.7 15 35 A R S S+ 0 0 230 54,-0.0 -1,-0.1 -2,-0.0 -2,-0.0 0.615 97.1 84.3-124.4 162.9 -20.4 -61.3 6.6 16 36 A T S S- 0 0 31 -3,-0.1 4,-0.1 53,-0.0 -3,-0.0 0.286 85.9 -97.4 177.7 8.5 -19.5 -61.5 2.9 17 37 A E - 0 0 46 2,-0.1 -3,-0.1 3,-0.1 -4,-0.0 0.404 24.9-139.0 70.4 143.8 -21.9 -64.0 1.4 18 38 A P S >> S+ 0 0 47 0, 0.0 3,-5.7 0, 0.0 4,-0.6 0.861 96.2 61.8-101.1 -52.1 -20.7 -67.6 0.9 19 39 A S H 3> S+ 0 0 69 1,-0.4 4,-0.7 2,-0.3 5,-0.1 0.766 90.0 73.3 -39.1 -31.2 -22.0 -68.6 -2.5 20 40 A T H 34 S+ 0 0 81 2,-0.1 -1,-0.4 3,-0.1 -3,-0.1 0.544 114.0 26.7 -62.7 -2.9 -19.8 -65.8 -3.5 21 41 A V H X> S+ 0 0 7 -3,-5.7 3,-6.8 2,-0.1 4,-1.0 0.573 102.0 71.4-116.6 -72.6 -17.5 -68.7 -2.5 22 42 A F H 3< S+ 0 0 88 -4,-0.6 -3,-0.2 1,-0.4 -2,-0.1 0.674 110.1 49.4 -26.0 -8.4 -19.3 -72.0 -3.1 23 43 A N T 3< S+ 0 0 146 -4,-0.7 -1,-0.4 -5,-0.5 -2,-0.1 0.599 102.2 58.1-106.7 -15.5 -18.5 -70.6 -6.5 24 44 A Y T <4 S+ 0 0 58 -3,-6.8 -2,-0.2 -5,-0.1 -3,-0.1 0.809 85.8 106.6 -74.1 -30.3 -14.9 -69.8 -5.9 25 45 A L < - 0 0 19 -4,-1.0 16,-0.0 1,-0.1 -4,-0.0 -0.208 66.6-143.7 -69.3 138.2 -14.0 -73.4 -5.0 26 46 A P S S+ 0 0 71 0, 0.0 -1,-0.1 0, 0.0 2,-0.1 0.679 89.2 56.6 -60.4 -23.5 -12.1 -76.0 -7.1 27 47 A V - 0 0 14 10,-0.1 2,-0.3 4,-0.1 6,-0.0 -0.236 63.5-168.1 -97.2-172.7 -14.5 -78.6 -5.7 28 48 A K > - 0 0 46 -2,-0.1 2,-0.8 -23,-0.1 3,-0.5 -0.843 49.1 -63.5-154.0-169.6 -18.2 -79.2 -5.6 29 49 A V T 3 S+ 0 0 98 -2,-0.3 -23,-0.2 1,-0.2 3,-0.1 -0.804 124.9 18.8 -89.9 114.5 -20.5 -81.6 -3.7 30 50 A G T 3 S+ 0 0 46 -25,-2.1 -1,-0.2 -2,-0.8 -24,-0.1 0.264 90.0 125.9 109.4 -9.7 -19.5 -85.1 -4.9 31 51 A D S < S- 0 0 64 -3,-0.5 -26,-2.3 -26,-0.2 2,-0.7 -0.354 70.5-104.2 -68.0 159.6 -16.1 -84.4 -6.4 32 52 A T - 0 0 95 -28,-0.2 2,-0.4 -3,-0.1 -28,-0.2 -0.813 37.2-161.2 -91.1 118.5 -13.2 -86.5 -5.2 33 53 A Y + 0 0 16 -2,-0.7 -30,-0.4 1,-0.1 3,-0.0 -0.802 19.1 161.6-100.9 138.2 -11.1 -84.5 -2.8 34 54 A N - 0 0 53 -2,-0.4 -1,-0.1 -32,-0.1 -30,-0.0 0.715 55.6 -72.8-121.7 -82.6 -7.6 -85.6 -2.1 35 55 A D S >> S+ 0 0 117 -33,-0.0 3,-3.6 0, 0.0 4,-0.9 0.189 119.2 59.2-135.9 -61.1 -4.8 -83.5 -0.6 36 56 A T H 3> S+ 0 0 95 1,-0.3 4,-2.6 2,-0.2 5,-0.3 0.792 101.3 60.0 -45.9 -40.1 -3.6 -81.1 -3.3 37 57 A H H 3> S+ 0 0 59 1,-0.2 4,-2.0 2,-0.2 -1,-0.3 0.845 100.9 58.8 -52.6 -35.1 -7.1 -79.7 -3.4 38 58 A G H <> S+ 0 0 4 -3,-3.6 4,-1.0 2,-0.2 -2,-0.2 0.890 114.5 30.2 -69.4 -44.8 -6.7 -78.9 0.3 39 59 A S H X S+ 0 0 73 -4,-0.9 4,-2.9 2,-0.2 5,-0.3 0.873 119.7 54.9 -79.2 -38.5 -3.6 -76.6 -0.0 40 60 A A H X S+ 0 0 42 -4,-2.6 4,-1.1 -5,-0.2 -2,-0.2 0.855 107.2 51.1 -64.2 -33.5 -4.5 -75.4 -3.5 41 61 A I H X S+ 0 0 7 -4,-2.0 4,-2.2 -5,-0.3 -1,-0.2 0.888 113.2 43.4 -72.7 -38.4 -8.0 -74.3 -2.3 42 62 A I H X S+ 0 0 32 -4,-1.0 4,-2.5 2,-0.2 5,-0.2 0.964 113.0 51.1 -71.2 -47.4 -6.7 -72.3 0.6 43 63 A K H X S+ 0 0 65 -4,-2.9 4,-0.9 1,-0.3 -1,-0.2 0.778 111.5 51.9 -58.5 -24.9 -3.9 -70.8 -1.5 44 64 A S H < S+ 0 0 76 -4,-1.1 -1,-0.3 -5,-0.3 -2,-0.2 0.919 111.7 43.4 -74.2 -44.6 -6.7 -69.9 -3.8 45 65 A L H <>S+ 0 0 16 -4,-2.2 5,-0.6 1,-0.2 6,-0.3 0.744 104.1 64.1 -74.3 -25.1 -8.8 -68.2 -1.1 46 66 A Y H ><5S+ 0 0 91 -4,-2.5 3,-1.0 3,-0.1 5,-0.3 0.893 97.9 64.3 -65.8 -41.8 -5.8 -66.4 0.4 47 67 A A T 3<5S+ 0 0 62 -4,-0.9 3,-0.3 -5,-0.2 4,-0.1 -0.412 88.8 52.2 -74.3 172.5 -5.5 -64.5 -2.8 48 68 A T T 3 5S- 0 0 100 1,-0.2 -1,-0.2 -2,-0.1 -2,-0.1 0.040 106.1-132.8 66.4 -15.1 -8.6 -62.4 -3.5 49 69 A G T < 5 + 0 0 20 -3,-1.0 -1,-0.2 1,-0.1 -3,-0.1 0.718 68.1 129.3 49.0 40.8 -7.7 -61.2 -0.0 50 70 A F < + 0 0 63 -5,-0.6 2,-0.4 -3,-0.3 20,-0.2 0.398 69.5 60.3 -92.6 -1.0 -11.0 -61.3 1.9 51 71 A F - 0 0 9 -5,-0.3 19,-0.3 -6,-0.3 3,-0.1 -0.977 55.6-163.1-138.1 140.2 -9.3 -63.3 4.6 52 72 A D S S+ 0 0 103 17,-6.3 2,-0.3 -2,-0.4 18,-0.2 0.868 88.4 4.2 -80.2 -46.1 -6.4 -63.0 7.1 53 73 A D - 0 0 64 16,-0.6 15,-2.9 2,-0.0 16,-0.4 -0.990 63.2-174.0-143.2 135.2 -6.2 -66.8 7.8 54 74 A V E -B 67 0A 6 -2,-0.3 2,-0.3 13,-0.2 13,-0.2 -0.756 4.8-165.4-113.0 172.1 -7.9 -69.9 6.4 55 75 A R E -B 66 0A 109 11,-0.6 11,-2.3 -2,-0.3 2,-0.6 -0.965 12.9-140.3-155.1 147.5 -7.8 -73.5 7.5 56 76 A V E -B 65 0A 50 -2,-0.3 2,-0.5 9,-0.2 9,-0.2 -0.928 18.5-176.1-114.5 115.3 -8.9 -76.7 5.8 57 77 A E E -B 64 0A 84 7,-2.8 7,-3.0 -2,-0.6 2,-0.7 -0.923 6.8-167.0-120.7 116.6 -10.5 -79.4 7.9 58 78 A T E +B 63 0A 70 -2,-0.5 2,-0.4 5,-0.2 5,-0.2 -0.856 18.9 164.9-104.7 110.5 -11.5 -82.7 6.4 59 79 A A E > -B 62 0A 58 3,-2.5 3,-2.1 -2,-0.7 -2,-0.0 -0.918 57.8 -36.3-138.1 118.1 -13.7 -84.9 8.6 60 80 A D T 3 S- 0 0 166 -2,-0.4 3,-0.1 1,-0.3 -1,-0.1 0.830 123.0 -40.0 48.7 46.6 -15.9 -88.0 8.0 61 81 A G T 3 S+ 0 0 8 1,-0.3 -55,-1.7 -56,-0.0 -1,-0.3 0.083 119.2 109.3 95.5 -20.6 -17.1 -87.0 4.5 62 82 A Q E < - B 0 59A 73 -3,-2.1 -3,-2.5 -57,-0.2 2,-0.6 -0.634 57.7-147.7 -94.9 144.1 -17.5 -83.4 5.4 63 83 A L E -aB 8 58A 4 -56,-1.7 -54,-2.8 -2,-0.3 2,-0.6 -0.935 15.6-169.3-114.1 111.3 -15.3 -80.4 4.3 64 84 A L E -aB 9 57A 38 -7,-3.0 -7,-2.8 -2,-0.6 2,-0.7 -0.887 7.6-165.9-109.6 118.2 -15.0 -77.6 6.8 65 85 A L E -aB 10 56A 4 -56,-1.7 -54,-3.2 -2,-0.6 2,-0.8 -0.901 6.3-166.5 -98.2 114.7 -13.4 -74.3 5.8 66 86 A T E +aB 11 55A 12 -11,-2.3 -11,-0.6 -2,-0.7 2,-0.4 -0.895 14.5 179.5-105.2 111.0 -12.6 -72.4 8.9 67 87 A V E - B 0 54A 7 -56,-1.4 -13,-0.2 -2,-0.8 -2,-0.0 -0.866 29.7-163.1-118.3 142.9 -11.9 -68.8 7.8 68 88 A I - 0 0 85 -15,-2.9 -14,-0.1 -2,-0.4 -1,-0.1 0.566 29.9-159.9 -93.8 -9.9 -10.9 -65.8 9.9 69 89 A E - 0 0 17 -16,-0.4 -17,-6.3 -56,-0.0 -16,-0.6 -0.398 22.7 -96.9 55.1-137.7 -11.7 -63.3 7.2 70 90 A R - 0 0 55 -19,-0.3 33,-0.1 -20,-0.2 35,-0.1 -0.941 30.3-100.3-177.7 140.8 -10.1 -59.9 7.7 71 91 A P - 0 0 40 0, 0.0 33,-0.9 0, 0.0 2,-0.3 -0.006 24.9-140.1 -72.6 179.1 -11.0 -56.5 9.1 72 92 A T - 0 0 19 68,-0.4 70,-4.4 31,-0.2 2,-0.7 -0.811 25.8 -99.2-131.5 168.3 -12.1 -53.2 7.4 73 93 A I E -Cd 101 142B 1 28,-1.0 28,-3.0 -2,-0.3 70,-0.2 -0.822 25.5-178.5-109.4 111.6 -11.2 -49.6 8.2 74 94 A G E S- 0 0 33 68,-1.8 2,-0.3 -2,-0.7 69,-0.2 0.910 72.0 -17.9 -65.0 -50.0 -13.5 -47.2 10.1 75 95 A S E - 0 0 64 67,-0.5 69,-1.7 25,-0.1 2,-0.4 -0.989 53.0-147.2-153.4 156.6 -11.3 -44.1 9.9 76 96 A L E - d 0 144B 9 -2,-0.3 2,-0.5 67,-0.2 69,-0.2 -0.997 12.0-169.6-127.4 134.4 -7.8 -43.0 9.1 77 97 A N E - d 0 145B 75 67,-2.4 69,-2.1 -2,-0.4 2,-0.7 -0.974 3.6-170.7-121.3 120.3 -6.1 -40.0 10.7 78 98 A I E + d 0 146B 10 -2,-0.5 2,-0.3 67,-0.2 69,-0.2 -0.939 17.8 163.3-104.2 111.9 -2.8 -38.6 9.5 79 99 A T E + d 0 147B 72 67,-2.6 69,-1.3 -2,-0.7 6,-0.0 -0.792 32.9 87.1-131.0 105.2 -1.3 -36.0 11.8 80 100 A G + 0 0 42 -2,-0.3 -1,-0.1 67,-0.3 5,-0.1 0.677 60.9 158.7 -86.5 -57.1 2.2 -34.8 11.9 81 101 A A + 0 0 24 3,-0.2 5,-0.4 -3,-0.1 68,-0.0 -0.046 16.3 102.1-132.7 116.0 1.9 -32.7 9.9 82 102 A K S S+ 0 0 84 3,-0.1 4,-0.0 4,-0.1 -1,-0.0 0.835 76.9 51.6-114.4 -72.5 3.7 -29.5 8.8 83 103 A M S S+ 0 0 71 2,-0.0 2,-0.3 37,-0.0 41,-0.0 0.817 126.6 20.4 -48.8 -38.9 6.0 -29.3 5.8 84 104 A L S S- 0 0 36 2,-0.0 -3,-0.2 0, 0.0 2,-0.2 -0.905 99.7 -99.4-122.2 162.6 3.3 -30.9 3.7 85 105 A Q >> - 0 0 140 -2,-0.3 4,-1.2 1,-0.1 3,-0.8 -0.546 21.4-128.2 -87.9 143.7 -0.4 -30.9 4.6 86 106 A N H >> S+ 0 0 48 -5,-0.4 4,-2.1 1,-0.2 3,-1.5 0.936 102.4 50.0 -47.6 -67.6 -2.3 -33.9 6.2 87 107 A D H 3> S+ 0 0 105 1,-0.3 4,-1.6 2,-0.2 -1,-0.2 0.648 106.7 58.9 -61.6 -13.4 -5.3 -34.4 3.9 88 108 A A H <> S+ 0 0 43 -3,-0.8 4,-2.5 2,-0.2 -1,-0.3 0.854 109.4 42.3 -76.8 -38.2 -3.0 -34.4 0.9 89 109 A I H X S+ 0 0 6 -4,-0.7 4,-2.1 1,-0.2 3,-1.4 0.895 100.2 53.9 -78.4 -45.1 -2.8 -42.7 0.8 94 114 A E H 3< S+ 0 0 66 -4,-2.4 -2,-0.2 1,-0.3 -1,-0.2 0.657 91.0 79.9 -63.8 -12.8 -6.3 -43.7 -0.2 95 115 A S T 3< S+ 0 0 79 -4,-0.8 -1,-0.3 -5,-0.2 -2,-0.2 0.871 111.1 23.5 -59.7 -39.8 -4.7 -44.0 -3.7 96 116 A F T <4 S- 0 0 103 -3,-1.4 -2,-0.2 -4,-0.4 -3,-0.1 0.892 132.0-123.3 -75.5 -71.1 -3.4 -47.3 -2.5 97 117 A G S < S+ 0 0 11 -4,-2.1 -3,-0.1 1,-0.2 2,-0.1 0.408 71.7 152.5 91.2 143.3 -6.2 -47.3 0.0 98 118 A L + 0 0 3 1,-0.1 -1,-0.2 -8,-0.1 2,-0.2 -0.547 45.6 145.2 63.0 70.4 -7.2 -47.4 2.8 99 119 A A - 0 0 28 -2,-0.1 2,-0.5 -3,-0.1 -26,-0.2 -0.622 67.9 -22.8-143.5-165.9 -10.4 -45.4 2.3 100 120 A Q S S- 0 0 134 -2,-0.2 2,-1.9 1,-0.2 -26,-0.2 -0.387 128.4 -33.6 -60.8 115.3 -13.7 -46.1 4.1 101 121 A S B > S+C 73 0B 51 -28,-3.0 2,-1.4 -2,-0.5 -28,-1.0 -0.161 84.2 169.6 67.5 -33.2 -13.6 -49.7 5.2 102 122 A Q T 3 - 0 0 99 -2,-1.9 -1,-0.2 1,-0.2 -2,-0.1 0.279 60.9 -82.3 33.3 24.1 -11.5 -50.7 2.2 103 123 A Y T 3 - 0 0 84 -2,-1.4 -31,-0.2 -33,-0.1 -1,-0.2 0.955 60.2-136.3 42.6 77.9 -10.5 -54.2 3.1 104 124 A F < + 0 0 21 -33,-0.9 2,-0.3 -3,-0.5 -6,-0.1 -0.113 32.3 164.3 -69.8 173.3 -7.5 -53.4 5.3 105 125 A N > - 0 0 49 -35,-0.1 4,-0.9 1,-0.0 -53,-0.0 -0.923 37.5-128.5-178.9 154.3 -4.1 -55.2 5.3 106 126 A Q H > S+ 0 0 90 -2,-0.3 4,-2.6 2,-0.2 5,-0.2 0.601 99.9 63.8 -98.1 -10.0 -0.6 -54.5 6.6 107 127 A A H > S+ 0 0 61 2,-0.2 4,-2.1 1,-0.2 5,-0.2 0.950 106.7 46.8 -76.4 -45.3 1.5 -55.0 3.5 108 128 A T H > S+ 0 0 37 2,-0.2 4,-1.9 1,-0.2 -2,-0.2 0.924 115.0 46.9 -55.0 -49.5 -0.3 -52.1 1.9 109 129 A L H >X S+ 0 0 2 -4,-0.9 4,-2.7 1,-0.2 3,-0.7 0.967 108.2 53.2 -60.7 -57.1 0.2 -50.1 5.0 110 130 A N H 3X S+ 0 0 89 -4,-2.6 4,-1.8 1,-0.3 -1,-0.2 0.833 115.1 43.1 -48.3 -39.2 3.8 -50.8 5.5 111 131 A Q H 3X S+ 0 0 115 -4,-2.1 4,-2.0 2,-0.2 -1,-0.3 0.747 108.5 56.0 -83.4 -20.7 4.4 -49.7 1.9 112 132 A A H X S+ 0 0 9 -4,-2.4 4,-2.4 1,-0.2 3,-1.6 0.948 107.8 54.8 -46.6 -60.8 5.8 -41.3 2.9 117 137 A K H 3X S+ 0 0 97 -4,-2.7 4,-2.0 1,-0.3 -1,-0.2 0.860 107.9 49.4 -48.8 -34.2 9.2 -41.8 4.3 118 138 A E H 3X S+ 0 0 103 -4,-1.7 4,-0.7 -5,-0.3 -1,-0.3 0.757 108.7 54.0 -82.0 -15.3 10.7 -41.6 0.8 119 139 A E H XX S+ 0 0 88 -3,-1.6 4,-2.2 -4,-1.3 3,-0.6 0.967 111.9 42.5 -72.1 -60.3 8.7 -38.4 0.2 120 140 A Y H 3< S+ 0 0 1 -4,-2.4 -2,-0.2 1,-0.3 -3,-0.2 0.822 114.1 51.5 -51.5 -36.4 10.0 -36.7 3.3 121 141 A L H 3< S+ 0 0 37 -4,-2.0 -1,-0.3 -5,-0.4 -2,-0.2 0.791 107.2 56.7 -70.2 -24.4 13.5 -38.1 2.5 122 142 A G H << S+ 0 0 5 -4,-0.7 73,-2.6 -3,-0.6 -2,-0.2 0.909 113.1 40.4 -70.7 -43.8 13.0 -36.6 -0.9 123 143 A R S < S- 0 0 66 -4,-2.2 71,-0.1 71,-0.2 70,-0.1 -0.045 120.2 -66.8 -85.1-164.6 12.3 -33.2 0.5 124 144 A G S S+ 0 0 2 68,-0.1 30,-0.8 29,-0.1 29,-0.1 0.871 97.6 99.3 -52.2 -55.8 14.3 -31.7 3.3 125 145 A K + 0 0 15 27,-0.2 28,-0.1 28,-0.2 -2,-0.1 -0.158 38.7 168.4 -51.0 107.2 13.4 -33.8 6.4 126 146 A L + 0 0 33 104,-0.4 2,-0.2 25,-0.4 -1,-0.2 0.921 69.8 42.3 -90.4 -47.7 16.2 -36.3 6.8 127 147 A N E S+E 151 0B 65 24,-0.5 24,-0.8 103,-0.4 2,-0.3 -0.594 79.1 152.0 -77.6 158.3 15.3 -37.6 10.2 128 148 A I E -E 150 0B 17 -2,-0.2 2,-0.4 22,-0.2 22,-0.2 -0.827 33.8-147.1-177.8 156.3 11.7 -38.2 10.4 129 149 A Q E -E 149 0B 131 20,-2.1 20,-2.0 -2,-0.3 2,-0.6 -0.942 12.1-179.4-137.3 116.0 9.4 -40.6 12.3 130 150 A I E -E 148 0B 19 -2,-0.4 18,-0.2 18,-0.2 -13,-0.1 -0.946 13.2-172.8-115.6 109.2 6.2 -41.8 10.8 131 151 A T E -E 147 0B 78 16,-2.9 16,-1.9 -2,-0.6 2,-0.3 -0.888 9.1-159.3-114.3 106.3 4.5 -44.0 13.3 132 152 A P E -E 146 0B 48 0, 0.0 2,-0.4 0, 0.0 14,-0.2 -0.587 6.5-172.4 -74.4 140.1 1.4 -46.0 12.3 133 153 A K E -E 145 0B 152 12,-1.5 12,-2.7 -2,-0.3 2,-0.6 -0.941 4.5-168.5-133.8 116.0 -0.8 -47.2 15.2 134 154 A V E -E 144 0B 55 -2,-0.4 2,-0.5 10,-0.2 10,-0.2 -0.905 2.4-171.2-112.7 119.4 -3.6 -49.5 14.1 135 155 A T E -E 143 0B 74 8,-2.5 8,-2.7 -2,-0.6 2,-0.5 -0.939 21.4-136.8-117.2 123.5 -6.3 -50.2 16.7 136 156 A K E +E 142 0B 81 -2,-0.5 6,-0.2 6,-0.2 -63,-0.1 -0.679 34.8 170.5 -74.7 122.2 -8.9 -52.9 16.1 137 157 A L - 0 0 71 4,-1.2 2,-0.3 -2,-0.5 -1,-0.2 0.814 34.5 -22.3-101.7 -79.9 -12.0 -51.1 17.3 138 158 A A S S- 0 0 73 3,-0.0 2,-0.2 0, 0.0 -1,-0.2 -0.869 92.1 -3.7 174.2 160.3 -15.3 -52.8 16.6 139 159 A R S S- 0 0 226 -2,-0.3 -3,-0.0 -3,-0.1 0, 0.0 -0.538 117.9 -35.1 -84.6 -61.7 -17.2 -54.6 15.3 140 160 A N S S+ 0 0 87 -2,-0.2 -68,-0.4 2,-0.0 2,-0.1 0.513 117.0 81.6 -89.5 -9.0 -15.5 -56.2 12.4 141 161 A R - 0 0 15 -70,-0.3 -4,-1.2 -5,-0.0 2,-0.3 -0.270 60.3-140.3-106.4-178.3 -13.3 -53.2 11.5 142 162 A V E -dE 73 136B 7 -70,-4.4 -68,-1.8 -6,-0.2 -67,-0.5 -0.961 7.6-139.6-142.2 151.5 -10.2 -51.2 12.4 143 163 A D E - E 0 135B 20 -8,-2.7 -8,-2.5 -2,-0.3 2,-0.6 -0.959 13.9-154.9-122.6 124.6 -8.9 -47.6 12.7 144 164 A I E -dE 76 134B 0 -69,-1.7 -67,-2.4 -2,-0.5 2,-0.6 -0.825 8.5-174.4-100.9 120.1 -5.5 -46.4 11.5 145 165 A D E -dE 77 133B 62 -12,-2.7 -12,-1.5 -2,-0.6 2,-0.5 -0.912 5.1-167.1-114.7 108.5 -3.8 -43.4 13.0 146 166 A I E -dE 78 132B 3 -69,-2.1 -67,-2.6 -2,-0.6 2,-0.4 -0.797 8.9-168.1 -86.5 128.7 -0.6 -42.4 11.3 147 167 A T E -dE 79 131B 72 -16,-1.9 -16,-2.9 -2,-0.5 2,-0.3 -0.987 3.5-161.0-125.3 124.9 1.3 -39.9 13.4 148 168 A I E - E 0 130B 10 -69,-1.3 2,-0.4 -2,-0.4 -18,-0.2 -0.796 18.4-172.2-111.8 146.9 4.2 -37.9 12.0 149 169 A D E - E 0 129B 104 -20,-2.0 -20,-2.1 -2,-0.3 2,-0.2 -0.925 26.6-142.5-131.9 114.6 7.2 -36.0 13.5 150 170 A E E - E 0 128B 31 -2,-0.4 2,-1.0 -22,-0.2 -22,-0.2 -0.537 13.8-122.3 -92.8 146.8 9.0 -34.2 10.8 151 171 A G E - E 0 127B 10 -24,-0.8 2,-0.5 -2,-0.2 -24,-0.5 -0.049 32.9-115.0 -85.7 26.9 12.8 -34.0 11.0 152 172 A K - 0 0 159 -2,-1.0 2,-0.3 -27,-0.1 -27,-0.2 -0.707 61.6 -87.2 64.5-121.5 13.5 -30.3 11.0 153 173 A S - 0 0 20 -2,-0.5 2,-0.3 -29,-0.1 -28,-0.2 -0.936 29.3-106.4-174.5 161.1 15.3 -30.3 7.6 154 174 A A - 0 0 1 -30,-0.8 39,-1.7 -2,-0.3 2,-0.4 -0.677 30.9-162.4-101.1 145.7 18.7 -30.8 6.2 155 175 A K E -Fg 192 232C 95 76,-3.0 78,-1.1 -2,-0.3 2,-0.3 -0.988 22.9-111.4-134.5 133.6 20.7 -27.9 4.9 156 176 A I E + g 0 233C 4 35,-1.3 78,-0.2 -2,-0.4 3,-0.1 -0.480 32.6 172.1 -70.4 128.7 23.7 -27.9 2.6 157 177 A T + 0 0 41 76,-1.7 24,-0.9 1,-0.3 2,-0.3 0.870 67.4 18.4 -95.0 -61.4 27.0 -27.0 4.2 158 178 A D - 0 0 72 75,-0.6 2,-0.4 22,-0.2 -1,-0.3 -0.845 54.1-167.8-111.9 151.2 29.5 -27.7 1.4 159 179 A I - 0 0 6 -2,-0.3 2,-0.4 75,-0.2 77,-0.2 -0.944 20.4-172.8-132.9 115.4 29.2 -28.2 -2.4 160 180 A E E -h 236 0D 70 75,-3.0 77,-2.8 -2,-0.4 2,-0.6 -0.890 18.6-156.2-119.3 134.7 32.3 -29.6 -4.0 161 181 A F E -h 237 0D 9 -2,-0.4 2,-0.6 75,-0.2 77,-0.2 -0.899 11.7-160.9-113.9 109.2 33.2 -30.2 -7.6 162 182 A E E +h 238 0D 40 75,-1.9 77,-1.6 -2,-0.6 -2,-0.0 -0.772 69.2 4.8 -95.6 114.1 35.9 -32.9 -8.1 163 183 A G S S+ 0 0 29 -2,-0.6 76,-0.2 75,-0.2 74,-0.0 0.400 73.6 135.9 84.7 141.0 37.6 -32.6 -11.5 164 184 A N + 0 0 24 74,-0.1 2,-0.2 77,-0.0 4,-0.1 0.469 17.3 171.9-135.0 -64.7 36.6 -29.6 -13.6 165 185 A Q + 0 0 172 1,-0.1 -2,-0.0 2,-0.1 75,-0.0 -0.780 67.2 45.8 -97.5 -1.9 39.2 -28.6 -14.7 166 186 A V S S+ 0 0 66 -2,-0.2 2,-0.3 2,-0.1 -1,-0.1 0.809 108.0 56.3 -70.4 -37.3 38.0 -26.0 -17.1 167 187 A Y S S- 0 0 41 1,-0.0 2,-0.3 2,-0.0 -2,-0.1 -0.721 83.0-106.1-116.6 154.2 35.4 -24.3 -14.9 168 188 A S > - 0 0 74 -2,-0.3 4,-2.9 1,-0.1 5,-0.3 -0.539 17.4-138.0 -77.2 132.2 35.2 -22.6 -11.5 169 189 A D H > S+ 0 0 59 -2,-0.3 4,-2.5 1,-0.2 -1,-0.1 0.879 111.9 51.7 -52.5 -35.6 33.6 -24.5 -8.7 170 190 A R H > S+ 0 0 190 2,-0.2 4,-1.0 1,-0.2 -1,-0.2 0.886 109.7 47.6 -69.9 -41.4 32.0 -21.1 -8.0 171 191 A K H >> S+ 0 0 89 2,-0.2 3,-1.3 1,-0.2 4,-1.1 0.984 114.5 44.0 -59.8 -59.1 30.8 -20.7 -11.5 172 192 A L H >X S+ 0 0 0 -4,-2.9 3,-2.0 1,-0.3 4,-1.0 0.938 110.9 56.1 -52.8 -49.4 29.3 -24.2 -11.7 173 193 A M H 3< S+ 0 0 28 -4,-2.5 5,-0.3 -5,-0.3 -1,-0.3 0.738 105.6 52.9 -56.2 -28.4 27.8 -23.7 -8.3 174 194 A R H << S+ 0 0 178 -3,-1.3 -1,-0.3 -4,-1.0 -2,-0.2 0.682 99.7 62.6 -81.0 -19.5 26.2 -20.6 -9.7 175 195 A Q H << S+ 0 0 51 -3,-2.0 2,-0.4 -4,-1.1 -2,-0.2 0.793 100.1 59.8 -72.9 -25.8 24.6 -22.5 -12.6 176 196 A M S < S- 0 0 5 -4,-1.0 2,-0.9 2,-0.1 25,-0.1 -0.800 81.8-134.1-102.4 141.8 22.6 -24.6 -10.2 177 197 A S S S+ 0 0 58 -2,-0.4 2,-0.3 20,-0.2 24,-0.2 -0.787 78.3 70.7-102.6 101.1 20.0 -23.2 -7.9 178 198 A L + 0 0 1 -2,-0.9 2,-0.3 -5,-0.3 13,-0.2 -0.628 67.6 171.1 172.6 158.5 20.5 -24.8 -4.5 179 199 A T - 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