==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=19-JUL-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 17-AUG-12 4GNU . COMPND 2 MOLECULE: BETA-LACTAMASE GES-5; . SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDOMONAS AERUGINOSA; . AUTHOR C.A.SMITH,S.B.VAKULENKO . 530 2 2 2 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 20457.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 380 71.7 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 . 84 15.8 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 . 4 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.4 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 . 13 2.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 57 10.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 195 36.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 13 2.5 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 1 0 2 0 0 0 0 6 3 1 3 1 0 0 0 0 2 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 . 0 2 2 2 0 0 2 0 2 2 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 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 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 K > 0 0 128 0, 0.0 4,-1.4 0, 0.0 260,-0.1 0.000 360.0 360.0 360.0 -25.9 -24.7 -23.0 26.7 2 22 A L H > + 0 0 130 2,-0.2 4,-3.3 3,-0.1 5,-0.2 0.711 360.0 47.1 -81.3 -36.8 -22.6 -26.1 27.0 3 23 A T H > S+ 0 0 82 2,-0.2 4,-3.4 3,-0.2 5,-0.3 0.920 109.8 53.8 -62.5 -43.0 -21.9 -25.1 23.5 4 24 A F H > S+ 0 0 4 2,-0.2 4,-2.1 1,-0.2 -2,-0.2 0.954 113.5 41.2 -52.6 -55.0 -21.4 -21.6 25.0 5 25 A K H X S+ 0 0 97 -4,-1.4 4,-2.3 1,-0.2 -2,-0.2 0.935 119.1 44.0 -61.9 -48.5 -18.8 -22.9 27.5 6 26 A T H X S+ 0 0 61 -4,-3.3 4,-2.0 1,-0.2 -1,-0.2 0.848 111.5 53.7 -71.5 -31.3 -17.1 -25.3 25.0 7 27 A D H X S+ 0 0 54 -4,-3.4 4,-1.9 -5,-0.2 -1,-0.2 0.909 111.1 46.2 -66.8 -39.9 -17.0 -22.7 22.2 8 28 A L H X S+ 0 0 0 -4,-2.1 4,-2.6 -5,-0.3 -2,-0.2 0.907 111.2 52.6 -65.8 -40.3 -15.3 -20.2 24.6 9 29 A E H X S+ 0 0 37 -4,-2.3 4,-2.7 1,-0.2 5,-0.2 0.877 106.7 53.4 -64.0 -35.5 -12.9 -22.9 25.7 10 30 A K H X S+ 0 0 110 -4,-2.0 4,-2.7 2,-0.2 5,-0.3 0.932 109.9 47.2 -63.9 -45.6 -12.0 -23.6 22.1 11 31 A L H X S+ 0 0 21 -4,-1.9 4,-2.4 2,-0.2 6,-0.2 0.926 112.5 50.8 -58.8 -45.4 -11.2 -20.0 21.5 12 32 A E H X>S+ 0 0 9 -4,-2.6 5,-2.1 1,-0.2 4,-0.8 0.932 114.1 43.0 -58.0 -48.9 -9.1 -19.9 24.8 13 33 A R H <5S+ 0 0 179 -4,-2.7 3,-0.5 1,-0.2 -2,-0.2 0.934 118.2 43.1 -64.3 -47.8 -7.1 -23.0 23.8 14 34 A E H <5S+ 0 0 118 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.790 122.2 37.8 -74.4 -27.5 -6.6 -22.1 20.2 15 35 A K H <5S- 0 0 70 -4,-2.4 226,-0.3 -5,-0.3 -1,-0.2 0.405 103.6-123.5-101.1 0.8 -5.7 -18.4 20.9 16 36 A A T <5 + 0 0 58 -4,-0.8 225,-0.4 -3,-0.5 2,-0.3 0.940 69.5 133.5 52.0 52.2 -3.8 -19.0 24.1 17 37 A A < - 0 0 9 -5,-2.1 2,-0.4 -6,-0.2 222,-0.2 -0.840 57.9-135.0-130.5 159.4 -6.2 -16.7 25.8 18 38 A Q E -A 238 0A 88 220,-2.2 220,-2.3 -2,-0.3 2,-0.5 -0.983 23.1-163.2-113.0 133.5 -8.4 -16.3 28.9 19 39 A I E -A 237 0A 0 -2,-0.4 2,-0.5 218,-0.2 218,-0.2 -0.975 5.9-168.9-123.3 120.4 -11.9 -15.0 28.3 20 40 A G E +A 236 0A 0 216,-3.4 216,-2.7 -2,-0.5 2,-0.4 -0.950 16.7 169.4-108.2 126.8 -14.1 -13.6 31.1 21 41 A V E +AB 235 34A 0 13,-2.8 13,-2.3 -2,-0.5 2,-0.4 -0.997 15.0 176.8-137.4 139.0 -17.7 -13.1 30.2 22 42 A A E -AB 234 33A 0 212,-1.9 212,-2.2 -2,-0.4 2,-0.4 -0.979 5.0-172.7-137.6 134.5 -20.9 -12.3 32.1 23 43 A I E +AB 233 32A 0 9,-2.8 8,-3.2 -2,-0.4 9,-1.6 -0.996 15.1 176.0-117.8 127.9 -24.3 -11.6 30.7 24 44 A V E -AB 232 30A 0 208,-2.6 208,-2.7 -2,-0.4 6,-0.2 -0.914 28.1-116.9-128.8 159.3 -27.0 -10.5 33.0 25 45 A D > - 0 0 37 4,-2.4 3,-2.3 -2,-0.3 206,-0.2 -0.224 50.8 -84.4 -81.9 177.5 -30.6 -9.4 32.7 26 46 A P T 3 S+ 0 0 25 0, 0.0 144,-0.2 0, 0.0 205,-0.1 0.757 131.6 50.6 -61.0 -22.2 -31.7 -5.8 33.6 27 47 A Q T 3 S- 0 0 148 2,-0.1 136,-0.0 144,-0.0 140,-0.0 0.312 123.6-102.5 -94.9 6.8 -32.1 -6.8 37.3 28 48 A G < + 0 0 10 -3,-2.3 2,-0.2 1,-0.3 135,-0.1 0.554 69.5 152.0 85.9 8.5 -28.6 -8.3 37.4 29 49 A E - 0 0 125 1,-0.1 -4,-2.4 134,-0.0 -1,-0.3 -0.520 52.5-103.6 -73.0 139.0 -29.8 -11.9 37.2 30 50 A I E +B 24 0A 82 -6,-0.2 -6,-0.2 -2,-0.2 3,-0.1 -0.436 42.9 167.4 -72.5 129.3 -27.2 -14.2 35.6 31 51 A V E - 0 0 42 -8,-3.2 2,-0.3 1,-0.4 -7,-0.2 0.774 69.6 -22.5-101.6 -45.4 -27.9 -15.3 32.0 32 52 A A E +B 23 0A 1 -9,-1.6 -9,-2.8 2,-0.0 -1,-0.4 -0.983 61.2 179.5-161.5 158.3 -24.4 -16.8 31.2 33 53 A G E -B 22 0A 20 -2,-0.3 2,-0.3 -11,-0.2 -11,-0.2 -0.991 15.7-167.2-161.1 158.2 -20.8 -16.6 32.3 34 54 A H E S-B 21 0A 11 -13,-2.3 -13,-2.8 -2,-0.3 4,-0.1 -0.939 89.8 -14.5-149.4 125.9 -17.3 -17.9 31.8 35 55 A R S > S+ 0 0 115 -2,-0.3 3,-1.7 -15,-0.2 124,-0.1 0.876 88.1 165.0 44.0 43.4 -14.6 -17.2 34.3 36 56 A M T 3 + 0 0 56 1,-0.3 123,-2.7 122,-0.1 124,-0.4 0.710 65.6 40.3 -70.6 -19.5 -17.1 -14.7 35.5 37 57 A A T 3 S+ 0 0 69 121,-0.2 2,-0.3 120,-0.2 -1,-0.3 0.164 85.5 113.9-115.1 16.1 -15.5 -14.0 38.9 38 58 A Q S < S- 0 0 60 -3,-1.7 2,-0.3 -4,-0.1 121,-0.1 -0.699 72.0-116.5 -77.5 136.8 -11.9 -14.0 37.7 39 59 A R + 0 0 128 -2,-0.3 2,-0.3 118,-0.2 118,-0.2 -0.582 37.5 176.9 -75.6 138.8 -10.3 -10.5 38.1 40 60 A F E -E 156 0B 9 116,-2.5 116,-2.3 -2,-0.3 2,-0.2 -0.971 39.4 -93.6-135.3 151.2 -9.2 -8.7 35.0 41 61 A A E -E 155 0B 8 -2,-0.3 114,-0.3 114,-0.2 113,-0.1 -0.445 28.6-149.0 -60.0 132.0 -7.8 -5.3 34.4 42 62 A M > + 0 0 0 112,-2.6 3,-1.8 94,-0.2 -1,-0.2 0.869 30.1 170.6 -67.8 -37.0 -10.5 -2.8 33.6 43 63 A a G > S- 0 0 0 111,-0.6 3,-1.8 101,-0.4 4,-0.1 -0.212 70.4 -14.2 45.6-142.7 -8.4 -0.7 31.4 44 64 A S G > S+ 0 0 9 1,-0.3 3,-2.0 168,-0.2 4,-0.3 0.582 118.1 87.2 -65.2 -8.8 -10.5 1.9 29.6 45 65 A T G X S+ 0 0 0 -3,-1.8 3,-1.5 1,-0.3 -1,-0.3 0.795 76.0 70.5 -59.0 -25.5 -13.8 0.1 30.4 46 66 A F G <> S+ 0 0 0 -3,-1.8 4,-2.4 1,-0.3 -1,-0.3 0.690 78.2 78.8 -64.0 -16.8 -13.9 2.1 33.7 47 67 A K H <> S+ 0 0 1 -3,-2.0 4,-1.9 2,-0.2 -1,-0.3 0.777 88.3 56.9 -65.4 -25.6 -14.6 5.3 31.7 48 68 A F H <> S+ 0 0 3 -3,-1.5 4,-2.2 -4,-0.3 3,-0.2 0.985 109.5 42.3 -67.2 -57.1 -18.2 4.1 31.4 49 69 A P H > S+ 0 0 2 0, 0.0 4,-2.5 0, 0.0 -2,-0.2 0.855 111.9 58.0 -54.9 -34.6 -18.7 3.9 35.2 50 70 A L H X S+ 0 0 1 -4,-2.4 4,-2.3 2,-0.2 -2,-0.2 0.933 106.2 47.2 -59.9 -45.9 -16.8 7.2 35.4 51 71 A A H X S+ 0 0 2 -4,-1.9 4,-2.7 1,-0.2 -1,-0.2 0.893 109.9 53.9 -62.8 -37.6 -19.3 8.9 33.2 52 72 A A H X S+ 0 0 0 -4,-2.2 4,-2.3 2,-0.2 -2,-0.2 0.921 107.3 50.6 -61.0 -44.0 -22.1 7.3 35.3 53 73 A L H X S+ 0 0 8 -4,-2.5 4,-2.1 2,-0.2 -2,-0.2 0.921 109.8 51.0 -56.9 -46.5 -20.5 8.8 38.4 54 74 A V H X S+ 0 0 2 -4,-2.3 4,-2.2 1,-0.2 -2,-0.2 0.934 110.7 48.1 -58.9 -46.1 -20.4 12.2 36.6 55 75 A F H X S+ 0 0 7 -4,-2.7 4,-3.0 1,-0.2 -1,-0.2 0.850 107.0 56.1 -63.6 -34.4 -24.1 11.9 35.7 56 76 A E H X S+ 0 0 40 -4,-2.3 4,-1.8 2,-0.2 -1,-0.2 0.926 109.3 47.3 -61.8 -43.2 -25.0 10.9 39.3 57 77 A R H X>S+ 0 0 61 -4,-2.1 6,-1.6 2,-0.2 5,-1.5 0.867 111.8 49.8 -65.4 -38.8 -23.4 14.2 40.4 58 78 A I H <5S+ 0 0 42 -4,-2.2 3,-0.4 4,-0.2 -2,-0.2 0.931 110.1 51.4 -61.9 -45.2 -25.2 16.1 37.7 59 79 A D H <5S+ 0 0 52 -4,-3.0 -2,-0.2 1,-0.2 -1,-0.2 0.826 114.9 42.2 -59.7 -36.0 -28.5 14.5 38.8 60 80 A S H <5S- 0 0 71 -4,-1.8 -1,-0.2 -5,-0.2 -2,-0.2 0.601 113.0-117.6 -87.8 -15.2 -27.8 15.5 42.4 61 81 A G T <5S+ 0 0 57 -4,-1.2 -3,-0.2 -3,-0.4 -4,-0.1 0.464 84.6 116.9 91.5 1.9 -26.6 19.0 41.5 62 82 A T S - 0 0 152 -2,-0.3 3,-1.7 1,-0.1 30,-0.4 -0.992 12.9-139.9-125.2 129.7 -23.0 20.8 36.3 65 85 A G T 3 S+ 0 0 12 -2,-0.4 30,-2.6 1,-0.3 31,-0.3 0.810 100.6 46.1 -60.8 -33.6 -22.7 19.4 32.8 66 86 A D T 3 S+ 0 0 112 28,-0.2 -1,-0.3 27,-0.2 2,-0.2 0.330 80.5 129.4 -95.9 12.5 -21.7 22.7 31.1 67 87 A R < - 0 0 73 -3,-1.7 27,-1.8 1,-0.1 2,-0.5 -0.476 61.6-121.5 -66.5 133.3 -19.1 23.6 33.7 68 88 A K E -F 93 0C 114 25,-0.2 2,-0.7 -2,-0.2 25,-0.2 -0.672 19.9-157.7 -85.3 124.7 -15.8 24.5 32.1 69 89 A L E -F 92 0C 0 23,-2.8 23,-1.6 -2,-0.5 2,-0.2 -0.893 13.5-149.8-105.8 109.6 -12.8 22.5 33.2 70 90 A S E +F 91 0C 78 -2,-0.7 2,-0.3 21,-0.2 21,-0.2 -0.492 24.7 159.2 -83.0 146.6 -9.6 24.4 32.6 71 91 A Y - 0 0 22 19,-1.8 41,-0.0 -2,-0.2 -2,-0.0 -0.984 25.8-141.1-158.5 163.3 -6.3 22.6 31.8 72 92 A G > - 0 0 20 -2,-0.3 3,-2.2 4,-0.0 4,-0.3 -0.585 50.5 -77.1-116.9-175.3 -2.9 23.0 30.3 73 93 A P G > S+ 0 0 94 0, 0.0 3,-1.6 0, 0.0 14,-0.0 0.716 118.0 77.6 -59.5 -22.4 -0.6 20.8 28.1 74 94 A D G 3 S+ 0 0 126 1,-0.3 -3,-0.0 3,-0.0 0, 0.0 0.731 87.4 60.0 -56.6 -24.1 0.3 18.8 31.3 75 95 A M G < S+ 0 0 29 -3,-2.2 2,-0.6 8,-0.1 -1,-0.3 0.635 81.3 98.8 -85.2 -10.2 -3.1 17.0 31.0 76 96 A I < + 0 0 48 -3,-1.6 2,-0.2 -4,-0.3 3,-0.1 -0.647 48.2 157.7 -79.4 119.9 -2.3 15.6 27.5 77 97 A V - 0 0 41 -2,-0.6 31,-0.3 1,-0.2 3,-0.2 -0.732 53.4 -44.1-127.4 179.7 -1.1 12.0 27.8 78 98 A E S S+ 0 0 150 -2,-0.2 29,-0.3 1,-0.2 -1,-0.2 -0.167 124.8 13.6 -48.5 136.7 -1.1 9.1 25.4 79 99 A W S S+ 0 0 131 1,-0.1 28,-3.0 28,-0.1 29,-0.2 0.973 76.8 139.4 54.7 70.2 -4.3 8.9 23.4 80 100 A S > + 0 0 0 26,-0.2 4,-2.5 27,-0.2 5,-0.2 -0.453 12.1 155.6-131.3 57.9 -6.0 12.3 24.1 81 101 A P H > S+ 0 0 11 0, 0.0 4,-1.2 0, 0.0 -1,-0.1 0.873 76.2 35.9 -62.6 -43.2 -7.4 13.2 20.7 82 102 A A H > S+ 0 0 8 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.909 115.1 54.7 -74.9 -43.4 -10.2 15.5 21.9 83 103 A T H > S+ 0 0 0 1,-0.2 4,-0.8 2,-0.2 -1,-0.2 0.893 108.3 51.3 -57.5 -39.0 -8.2 17.0 24.8 84 104 A E H < S+ 0 0 102 -4,-2.5 3,-0.5 1,-0.2 4,-0.5 0.903 110.1 48.9 -62.8 -42.4 -5.5 17.9 22.3 85 105 A R H < S+ 0 0 31 -4,-1.2 3,-0.3 -5,-0.2 4,-0.3 0.877 115.6 42.7 -66.9 -37.1 -8.0 19.7 20.0 86 106 A F H X>S+ 0 0 11 -4,-2.4 4,-1.1 1,-0.2 5,-0.7 0.516 88.8 95.6 -86.0 -5.1 -9.6 21.7 22.8 87 107 A L T ><5S+ 0 0 46 -4,-0.8 3,-1.0 -3,-0.5 -1,-0.2 0.895 81.0 50.9 -55.9 -48.4 -6.2 22.5 24.5 88 108 A A T 345S+ 0 0 37 -4,-0.5 -1,-0.2 -3,-0.3 384,-0.2 0.871 106.2 55.4 -61.5 -36.2 -5.8 25.9 22.8 89 109 A S T 345S- 0 0 31 -3,-0.4 -1,-0.3 -4,-0.3 -2,-0.2 0.763 109.3-132.2 -65.9 -25.0 -9.3 26.9 23.9 90 110 A G T <<5 + 0 0 23 -4,-1.1 -19,-1.8 -3,-1.0 2,-0.3 0.311 66.8 45.3 93.8 -5.5 -8.2 26.1 27.4 91 111 A H E < -F 70 0C 23 -5,-0.7 2,-0.3 -21,-0.2 -21,-0.2 -0.987 51.6-152.1-156.0 163.4 -11.1 24.0 28.6 92 112 A M E -F 69 0C 1 -23,-1.6 -23,-2.8 -2,-0.3 2,-0.1 -0.968 33.5-119.2-128.4 147.4 -13.5 21.2 28.1 93 113 A T E > -F 68 0C 12 -2,-0.3 4,-2.9 -25,-0.2 5,-0.3 -0.401 31.0-104.6 -74.4 165.1 -16.9 21.1 29.8 94 114 A V H > S+ 0 0 1 -27,-1.8 4,-2.3 -30,-0.4 -28,-0.2 0.925 124.0 45.4 -51.1 -48.6 -17.8 18.3 32.1 95 115 A L H > S+ 0 0 47 -30,-2.6 4,-2.5 2,-0.2 -1,-0.2 0.878 111.2 51.2 -68.2 -40.4 -20.1 16.9 29.4 96 116 A E H > S+ 0 0 41 -31,-0.3 4,-2.2 2,-0.2 -1,-0.2 0.928 112.9 46.6 -59.0 -45.7 -17.5 17.3 26.6 97 117 A A H X S+ 0 0 0 -4,-2.9 4,-2.5 2,-0.2 -2,-0.2 0.912 113.1 48.7 -64.3 -42.5 -14.9 15.5 28.6 98 118 A A H X S+ 0 0 0 -4,-2.3 4,-2.3 -5,-0.3 5,-0.2 0.909 111.3 49.3 -66.7 -41.1 -17.3 12.7 29.6 99 119 A Q H X S+ 0 0 47 -4,-2.5 4,-3.1 1,-0.2 5,-0.4 0.905 113.0 47.8 -64.5 -38.7 -18.4 12.2 26.0 100 120 A A H X>S+ 0 0 8 -4,-2.2 6,-1.9 2,-0.2 4,-1.9 0.888 110.4 51.8 -68.4 -40.2 -14.8 12.1 24.8 101 121 A A H X5S+ 0 0 1 -4,-2.5 4,-0.5 4,-0.3 -2,-0.2 0.925 118.7 37.0 -59.5 -44.8 -13.9 9.7 27.6 102 122 A V H <5S+ 0 0 0 -4,-2.3 108,-0.2 -5,-0.2 -2,-0.2 0.931 126.8 32.2 -74.8 -46.7 -16.7 7.3 26.6 103 123 A Q H <5S+ 0 0 20 -4,-3.1 87,-2.0 -5,-0.2 88,-0.3 0.702 134.9 23.2 -93.6 -21.4 -16.7 7.6 22.8 104 124 A L H <5S- 0 0 14 -4,-1.9 -3,-0.2 -5,-0.4 -1,-0.2 0.436 94.3-126.0-117.2 -6.2 -13.1 8.2 22.0 105 125 A S << - 0 0 11 -5,-0.6 -4,-0.3 -4,-0.5 2,-0.2 0.788 40.8-172.9 61.6 28.9 -11.5 6.7 25.1 106 126 A D > - 0 0 0 -6,-1.9 4,-1.7 1,-0.2 -26,-0.2 -0.351 16.1-162.4 -63.1 119.2 -9.7 10.0 25.6 107 127 A N H > S+ 0 0 12 -28,-3.0 4,-2.8 -29,-0.3 34,-0.3 0.891 87.1 51.8 -71.5 -43.1 -7.2 9.7 28.4 108 128 A G H > S+ 0 0 0 -31,-0.3 4,-2.2 -29,-0.2 -1,-0.2 0.904 111.6 48.3 -58.3 -43.1 -6.7 13.4 29.1 109 129 A A H > S+ 0 0 0 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.888 111.1 50.9 -66.7 -40.0 -10.4 13.9 29.3 110 130 A T H X S+ 0 0 0 -4,-1.7 4,-2.4 2,-0.2 -2,-0.2 0.935 111.9 46.1 -59.4 -48.7 -10.7 10.9 31.7 111 131 A N H X S+ 0 0 9 -4,-2.8 4,-2.4 2,-0.2 -2,-0.2 0.838 108.1 57.2 -67.0 -32.3 -8.0 12.3 33.9 112 132 A L H X S+ 0 0 1 -4,-2.2 4,-1.6 2,-0.2 -1,-0.2 0.926 108.9 46.1 -62.4 -43.9 -9.6 15.8 33.8 113 133 A L H X S+ 0 0 2 -4,-2.1 4,-1.9 1,-0.2 -2,-0.2 0.909 110.1 53.8 -65.1 -42.5 -12.8 14.2 35.1 114 134 A L H X>S+ 0 0 6 -4,-2.4 5,-2.7 1,-0.2 4,-1.3 0.903 104.8 55.0 -56.4 -41.9 -10.8 12.3 37.8 115 135 A R H <5S+ 0 0 115 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.917 113.3 43.3 -55.6 -41.4 -9.2 15.6 38.9 116 136 A E H <5S+ 0 0 49 -4,-1.6 -2,-0.2 1,-0.2 -1,-0.2 0.760 114.3 46.0 -79.2 -27.4 -12.7 17.0 39.4 117 137 A I H <5S- 0 0 17 -4,-1.9 -1,-0.2 -5,-0.1 -2,-0.2 0.542 122.5 -87.4-100.3 -6.3 -14.4 14.1 41.1 118 138 A G T X5 - 0 0 52 -4,-1.3 4,-0.7 -3,-0.2 3,-0.4 0.609 62.8 -97.5 111.6 17.5 -11.8 13.2 43.7 119 139 A G H >> S+ 0 0 33 0, 0.0 4,-2.4 0, 0.0 17,-0.4 0.813 132.8 60.9 -52.4 -35.9 -9.4 7.0 41.9 121 141 A A H 3> S+ 0 0 64 -3,-0.4 4,-2.1 1,-0.2 -2,-0.2 0.889 105.8 46.9 -61.5 -39.0 -10.6 6.8 45.5 122 142 A A H S+ 0 0 0 -4,-1.8 5,-2.8 1,-0.2 3,-0.3 0.951 111.7 46.8 -53.2 -48.4 -18.7 1.5 42.7 128 148 A R H ><5S+ 0 0 99 -4,-2.1 3,-1.7 1,-0.2 -2,-0.2 0.899 107.6 56.9 -62.1 -41.0 -19.4 0.7 46.3 129 149 A K H 3<5S+ 0 0 145 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.857 107.5 47.9 -58.9 -38.5 -22.4 3.1 46.4 130 150 A I T 3<5S- 0 0 23 -4,-2.0 -1,-0.3 -3,-0.3 -2,-0.2 0.138 128.3 -94.2 -94.4 21.4 -24.1 1.3 43.6 131 151 A G T < 5S+ 0 0 64 -3,-1.7 2,-0.8 1,-0.2 -3,-0.2 0.581 83.6 131.0 86.0 11.3 -23.5 -2.1 45.1 132 152 A D < + 0 0 4 -5,-2.8 -1,-0.2 -6,-0.2 -2,-0.1 -0.865 22.7 170.8 -99.6 106.4 -20.3 -3.1 43.4 133 153 A S S S+ 0 0 94 -2,-0.8 -1,-0.1 1,-0.1 -5,-0.1 0.335 72.1 52.5 -93.3 5.2 -17.9 -4.4 46.1 134 154 A V S S+ 0 0 52 -7,-0.1 21,-0.2 23,-0.1 -1,-0.1 0.834 79.7 85.7-110.3 -52.7 -15.4 -5.7 43.5 135 155 A S - 0 0 0 22,-0.1 2,-0.4 -8,-0.1 21,-0.2 -0.279 54.5-177.9 -60.4 140.1 -14.4 -3.1 41.0 136 156 A R - 0 0 83 19,-2.2 2,-0.5 16,-0.1 -94,-0.2 -0.986 20.9-159.1-144.8 131.2 -11.5 -0.8 42.1 137 157 A L + 0 0 2 -17,-0.4 -13,-0.3 -2,-0.4 -14,-0.1 -0.959 21.2 161.0-105.7 128.1 -9.8 2.1 40.5 138 158 A D + 0 0 56 -2,-0.5 2,-0.3 1,-0.2 -17,-0.1 0.642 59.9 26.9-114.4 -25.8 -6.3 2.8 41.9 139 159 A R S S- 0 0 36 -19,-0.1 -1,-0.2 -20,-0.1 2,-0.1 -0.893 71.6-113.2-139.2 161.4 -4.6 4.9 39.3 140 160 A K > - 0 0 108 -2,-0.3 4,-2.2 1,-0.1 5,-0.2 -0.277 59.7 -39.9 -83.4 178.5 -5.2 7.4 36.5 141 161 A E T 4 S+ 0 0 3 -34,-0.3 -1,-0.1 1,-0.3 -30,-0.0 -0.633 114.2 12.3 -86.1 150.0 -4.6 6.7 32.8 142 162 A P T >4 S+ 0 0 52 0, 0.0 3,-2.1 0, 0.0 -1,-0.3 -1.000 123.6 54.5 -90.5 -3.6 -2.5 5.4 31.2 143 163 A E G >4 S+ 0 0 70 1,-0.3 3,-2.1 2,-0.2 4,-0.2 0.810 98.2 65.8 -60.8 -28.6 -0.8 3.7 34.1 144 164 A M G 3< S+ 0 0 1 -4,-2.2 3,-0.4 1,-0.3 -101,-0.4 0.730 96.7 58.8 -64.0 -17.4 -4.0 2.0 35.3 145 165 A S G < S+ 0 0 13 -3,-2.1 69,-1.9 1,-0.2 -1,-0.3 0.282 71.9 106.0 -93.0 9.1 -3.9 0.1 32.0 146 166 A D < - 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0 0 7 -2,-0.3 4,-2.7 -118,-0.2 5,-0.3 -0.926 27.0-115.3-120.0 156.8 -14.7 -9.1 37.4 158 178 A P H > S+ 0 0 0 0, 0.0 4,-2.6 0, 0.0 -136,-0.2 0.923 116.5 46.7 -54.2 -43.9 -17.0 -9.8 34.4 159 179 A I H > S+ 0 0 20 -123,-2.7 4,-2.2 2,-0.2 5,-0.2 0.915 112.5 48.2 -68.1 -42.0 -19.9 -10.4 36.8 160 180 A A H > S+ 0 0 12 -124,-0.4 4,-2.1 1,-0.2 -1,-0.2 0.938 115.9 44.3 -62.3 -44.9 -19.3 -7.4 38.9 161 181 A M H X S+ 0 0 0 -4,-2.7 4,-2.8 2,-0.2 -2,-0.2 0.902 111.0 52.8 -70.2 -39.6 -19.0 -5.1 35.9 162 182 A A H X S+ 0 0 0 -4,-2.6 4,-2.4 -5,-0.3 -1,-0.2 0.916 111.0 48.5 -59.5 -40.1 -22.0 -6.6 34.1 163 183 A R H X S+ 0 0 95 -4,-2.2 4,-2.3 2,-0.2 -2,-0.2 0.883 109.9 51.9 -68.0 -36.0 -24.1 -5.9 37.2 164 184 A T H X S+ 0 0 1 -4,-2.1 4,-2.2 2,-0.2 -2,-0.2 0.922 109.1 50.1 -63.5 -44.1 -22.7 -2.4 37.4 165 185 A V H X S+ 0 0 1 -4,-2.8 4,-2.7 1,-0.2 5,-0.3 0.935 111.2 49.2 -58.1 -46.6 -23.7 -1.8 33.7 166 186 A A H X>S+ 0 0 2 -4,-2.4 4,-3.0 1,-0.2 5,-1.6 0.896 109.1 52.1 -61.2 -40.4 -27.2 -3.1 34.4 167 187 A K H <5S+ 0 0 50 -4,-2.3 6,-1.8 3,-0.2 4,-0.4 0.915 113.7 44.2 -62.9 -40.5 -27.6 -0.9 37.5 168 188 A V H <5S+ 0 0 1 -4,-2.2 6,-0.4 1,-0.2 -2,-0.2 0.896 124.7 31.5 -70.8 -42.2 -26.6 2.1 35.5 169 189 A L H <5S+ 0 0 13 -4,-2.7 -2,-0.2 -5,-0.2 -3,-0.2 0.794 141.4 7.2 -89.1 -29.5 -28.7 1.4 32.4 170 190 A Y T <5S+ 0 0 57 -4,-3.0 -3,-0.2 -5,-0.3 -2,-0.1 0.568 112.9 71.7-127.9 -20.1 -31.7 -0.4 33.9 171 191 A G S - 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0 0 0 22,-0.1 2,-0.4 -8,-0.1 21,-0.2 -0.273 53.4-179.0 -61.6 142.0 -23.2 29.7 -2.3 403 156 B R - 0 0 68 19,-2.2 2,-0.5 16,-0.1 19,-0.2 -0.988 21.1-158.5-147.1 131.7 -25.6 27.1 -3.6 404 157 B L + 0 0 3 -17,-0.4 -13,-0.3 -2,-0.4 3,-0.1 -0.953 21.6 160.6-105.7 132.0 -26.4 23.5 -2.6 405 158 B D + 0 0 56 -2,-0.5 2,-0.3 1,-0.2 -17,-0.1 0.624 58.8 31.0-120.8 -26.0 -28.0 21.5 -5.3 406 159 B R S S- 0 0 35 -19,-0.1 -1,-0.2 -20,-0.1 2,-0.1 -0.890 71.2-115.9-135.4 161.2 -27.4 17.8 -4.4 407 160 B K > - 0 0 108 -2,-0.3 4,-2.0 1,-0.1 5,-0.2 -0.276 59.8 -38.7 -83.2 178.6 -27.1 15.6 -1.3 408 161 B E T 4 S+ 0 0 2 -34,-0.3 -1,-0.1 1,-0.3 -30,-0.0 -0.627 114.1 11.4 -87.0 150.6 -23.9 13.7 -0.4 409 162 B P T >4 S+ 0 0 51 0, 0.0 3,-2.1 0, 0.0 -1,-0.3 -0.999 123.7 54.8 -91.1 -2.8 -21.8 12.2 -1.8 410 163 B E G >4 S+ 0 0 70 1,-0.3 3,-2.0 2,-0.2 -2,-0.2 0.802 97.3 66.8 -62.5 -26.8 -22.8 13.3 -5.3 411 164 B M G 3< S+ 0 0 1 -4,-2.0 -101,-0.4 1,-0.3 3,-0.4 0.712 95.1 60.3 -64.5 -16.4 -22.6 17.0 -4.3 412 165 B S G < S+ 0 0 13 -3,-2.1 69,-2.3 1,-0.2 -1,-0.3 0.240 70.6 107.2 -93.8 11.4 -18.8 16.4 -4.0 413 166 B D < - 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0 0 8 -2,-0.3 4,-2.7 -118,-0.2 5,-0.3 -0.932 28.6-114.6-120.7 156.5 -16.5 31.4 -3.6 425 178 B P H > S+ 0 0 0 0, 0.0 4,-2.7 0, 0.0 -136,-0.2 0.913 116.1 46.4 -56.3 -42.4 -13.8 31.9 -0.9 426 179 B I H > S+ 0 0 26 -123,-2.3 4,-2.2 2,-0.2 5,-0.2 0.912 112.6 49.4 -69.1 -40.2 -15.1 35.4 -0.1 427 180 B A H > S+ 0 0 12 -124,-0.4 4,-2.0 1,-0.2 -1,-0.2 0.939 115.5 43.5 -61.5 -45.8 -18.7 34.4 0.0 428 181 B M H X S+ 0 0 0 -4,-2.7 4,-2.9 2,-0.2 -2,-0.2 0.915 111.3 52.9 -70.5 -40.2 -18.0 31.5 2.3 429 182 B A H X S+ 0 0 0 -4,-2.7 4,-2.4 -5,-0.3 -1,-0.2 0.916 111.4 47.7 -59.6 -40.8 -15.6 33.4 4.6 430 183 B R H X S+ 0 0 111 -4,-2.2 4,-2.4 2,-0.2 -1,-0.2 0.860 109.8 52.8 -68.6 -33.4 -18.3 36.0 5.1 431 184 B T H X S+ 0 0 4 -4,-2.0 4,-2.4 2,-0.2 -2,-0.2 0.931 109.0 49.7 -64.0 -44.3 -20.9 33.3 5.7 432 185 B V H X S+ 0 0 1 -4,-2.9 4,-2.5 1,-0.2 5,-0.3 0.944 112.3 47.8 -58.6 -46.6 -18.6 31.8 8.4 433 186 B A H X>S+ 0 0 2 -4,-2.4 4,-3.0 1,-0.2 5,-1.4 0.896 110.0 52.4 -61.6 -41.0 -18.2 35.3 10.0 434 187 B K H X5S+ 0 0 75 -4,-2.4 6,-1.8 3,-0.2 4,-0.5 0.921 113.3 44.2 -60.4 -44.6 -21.9 35.9 9.9 435 188 B V H <5S+ 0 0 1 -4,-2.4 6,-0.4 1,-0.2 -2,-0.2 0.894 125.1 31.0 -67.9 -41.9 -22.6 32.6 11.7 436 189 B L H <5S+ 0 0 15 -4,-2.5 -2,-0.2 -5,-0.2 -3,-0.2 0.784 140.9 7.8 -90.5 -28.9 -19.8 33.0 14.3 437 190 B Y H <5S+ 0 0 52 -4,-3.0 -3,-0.2 -5,-0.3 -2,-0.1 0.547 112.5 71.6-129.1 -18.6 -19.6 36.7 14.8 438 191 B G S < - 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