==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=7-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 09-SEP-97 3BC2 . COMPND 2 MOLECULE: METALLO BETA-LACTAMASE II; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS CEREUS; . AUTHOR S.M.FABIANE,B.J.SUTTON . 215 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9804.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 149 69.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 18 8.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 42 19.5 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 1.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 1 0.5 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 . 19 8.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 14 6.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 45 20.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 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 1 0 0 1 0 2 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 0 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 0 PARALLEL BRIDGES PER LADDER . 2 1 2 0 2 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 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 0 1 0 1 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 8 A V 0 0 142 0, 0.0 2,-0.6 0, 0.0 11,-0.3 0.000 360.0 360.0 360.0 63.1 2.7 5.0 29.3 2 9 A I E -A 11 0A 74 9,-2.4 9,-2.2 0, 0.0 2,-0.3 -0.857 360.0-174.3-101.3 115.4 5.0 7.3 31.2 3 10 A K E -A 10 0A 115 -2,-0.6 7,-0.3 7,-0.3 3,-0.0 -0.721 22.3-120.3-104.2 151.5 5.9 10.6 29.5 4 11 A N - 0 0 23 5,-3.1 3,-0.1 -2,-0.3 -1,-0.1 -0.184 24.7-113.8 -79.3-178.2 8.4 13.2 30.8 5 12 A E S S- 0 0 167 1,-0.3 2,-0.4 -2,-0.0 -1,-0.1 0.969 87.2 -17.6 -80.0 -69.8 7.4 16.7 31.6 6 13 A T S S+ 0 0 101 1,-0.1 -1,-0.3 2,-0.0 0, 0.0 -0.993 108.2 76.2-140.2 133.6 9.2 18.8 28.9 7 14 A G S S- 0 0 32 -2,-0.4 -1,-0.1 -3,-0.1 17,-0.1 0.018 100.9 -96.5 152.4 -30.1 12.1 17.5 26.9 8 15 A T S S+ 0 0 48 1,-0.2 16,-1.8 15,-0.1 2,-0.4 0.827 75.2 128.4 91.3 50.5 10.1 15.3 24.4 9 16 A I E + B 0 23A 1 14,-0.2 -5,-3.1 46,-0.0 2,-0.3 -0.989 24.1 171.0-139.1 134.2 10.2 11.7 25.7 10 17 A S E -AB 3 22A 32 12,-1.9 12,-2.1 -2,-0.4 2,-0.5 -0.984 16.9-152.1-140.0 150.4 7.6 9.0 26.5 11 18 A I E -AB 2 21A 0 -9,-2.2 -9,-2.4 -2,-0.3 2,-0.3 -0.943 12.2-171.3-129.4 114.1 7.6 5.3 27.4 12 19 A S E - B 0 20A 41 8,-1.7 8,-3.3 -2,-0.5 2,-0.2 -0.779 16.5-133.2-104.2 144.1 4.8 2.9 26.5 13 20 A Q E + B 0 19A 92 -2,-0.3 6,-0.2 6,-0.3 3,-0.1 -0.650 30.0 162.6 -96.7 152.5 4.4 -0.7 27.7 14 21 A L S S+ 0 0 69 4,-2.5 2,-0.2 1,-0.5 5,-0.2 0.555 71.1 10.0-129.1 -51.7 3.6 -3.7 25.6 15 22 A N S S- 0 0 47 3,-1.6 -1,-0.5 0, 0.0 3,-0.4 -0.579 89.4 -90.7-120.4-174.6 4.6 -6.8 27.6 16 23 A K S S+ 0 0 148 1,-0.2 3,-0.0 -2,-0.2 -3,-0.0 0.722 129.1 25.4 -73.7 -18.7 5.7 -7.2 31.3 17 24 A N S S+ 0 0 16 1,-0.1 19,-2.4 18,-0.0 2,-0.4 0.165 111.0 77.7-129.1 15.7 9.3 -6.7 30.1 18 25 A V E + C 0 35A 0 -3,-0.4 -4,-2.5 17,-0.2 -3,-1.6 -0.985 47.3 167.0-136.4 128.7 9.0 -4.7 26.9 19 26 A W E -BC 13 34A 17 15,-2.4 15,-2.5 -2,-0.4 2,-0.4 -0.888 27.9-126.6-132.1 162.3 8.4 -1.0 26.4 20 27 A V E -BC 12 33A 6 -8,-3.3 -8,-1.7 -2,-0.3 2,-0.5 -0.865 16.8-155.8-109.9 141.7 8.6 1.6 23.5 21 28 A H E -BC 11 32A 0 11,-1.6 11,-1.2 -2,-0.4 2,-0.4 -0.983 10.4-174.3-121.5 128.4 10.6 4.8 23.8 22 29 A T E -BC 10 31A 29 -12,-2.1 -12,-1.9 -2,-0.5 2,-0.4 -0.986 1.1-175.6-124.4 132.0 9.7 7.7 21.6 23 30 A E E -BC 9 30A 0 7,-2.0 7,-1.8 -2,-0.4 -14,-0.2 -0.989 19.1-129.8-130.0 137.8 11.7 11.0 21.3 24 31 A L E C 0 29A 88 -16,-1.8 24,-0.1 -2,-0.4 4,-0.1 -0.458 360.0 360.0 -83.3 155.2 10.9 14.2 19.4 25 32 A G 0 0 65 3,-0.7 3,-0.2 -2,-0.1 -1,-0.1 0.720 360.0 360.0-113.9 360.0 13.3 16.0 17.1 26 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 27 38 A A 0 0 109 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 76.4 10.0 17.5 13.3 28 39 A V - 0 0 80 -3,-0.2 -3,-0.7 1,-0.1 2,-0.7 0.825 360.0-130.9 65.5 123.1 9.6 13.7 13.6 29 40 A P E -C 24 0A 53 0, 0.0 171,-0.9 0, 0.0 -5,-0.2 -0.894 24.9-154.5 -99.4 105.7 9.3 11.4 16.7 30 41 A S E -CD 23 199A 0 -7,-1.8 -7,-2.0 -2,-0.7 2,-0.3 -0.498 6.1-142.6 -82.0 151.7 11.6 8.3 16.5 31 42 A N E +C 22 0A 8 167,-3.1 2,-0.3 -9,-0.2 -9,-0.2 -0.742 23.4 159.2-110.6 163.7 11.0 5.0 18.3 32 43 A G E -C 21 0A 1 -11,-1.2 -11,-1.6 -2,-0.3 2,-0.4 -0.876 33.6 -96.8-161.7-173.4 13.1 2.4 20.0 33 44 A L E -CE 20 44A 0 11,-2.0 11,-2.0 -2,-0.3 2,-0.5 -0.932 13.2-161.0-127.8 145.0 12.8 -0.4 22.5 34 45 A V E -CE 19 43A 0 -15,-2.5 -15,-2.4 -2,-0.4 2,-0.6 -0.983 15.8-166.2-121.7 112.7 13.4 -0.8 26.3 35 46 A L E -CE 18 42A 2 7,-3.3 7,-2.7 -2,-0.5 2,-0.7 -0.914 9.1-150.2-106.8 118.2 13.9 -4.4 27.3 36 47 A N E + E 0 41A 22 -19,-2.4 2,-0.3 -2,-0.6 5,-0.2 -0.787 28.0 167.0 -89.6 113.1 13.6 -5.2 31.0 37 48 A T E > - E 0 40A 3 3,-1.5 3,-0.6 -2,-0.7 88,-0.1 -0.777 49.5-111.0-121.3 169.6 15.8 -8.2 31.9 38 49 A S T 3 S+ 0 0 91 86,-0.4 87,-0.1 -2,-0.3 3,-0.1 0.573 119.4 47.5 -74.8 -11.0 17.1 -9.8 35.1 39 50 A K T 3 S- 0 0 96 1,-0.4 2,-0.3 85,-0.3 -1,-0.2 0.453 126.8 -69.8-106.9 -5.4 20.6 -8.7 34.2 40 51 A G E < -E 37 0A 4 -3,-0.6 -3,-1.5 84,-0.2 2,-0.4 -0.853 64.0 -46.7 143.9-178.7 19.8 -5.1 33.3 41 52 A L E -Ef 36 68A 0 26,-2.6 28,-2.1 -2,-0.3 29,-1.1 -0.751 44.1-163.4 -92.2 131.4 18.0 -2.8 30.8 42 53 A V E -Ef 35 70A 1 -7,-2.7 -7,-3.3 -2,-0.4 2,-0.3 -0.966 4.7-159.5-117.3 125.4 18.6 -3.4 27.1 43 54 A L E -Ef 34 71A 0 27,-2.2 29,-2.0 -2,-0.5 2,-0.8 -0.810 15.6-148.2-105.2 142.3 17.7 -0.7 24.5 44 55 A V E S-Ef 33 72A 3 -11,-2.0 -11,-2.0 -2,-0.3 29,-0.2 -0.944 83.4 -15.7-106.4 100.6 17.1 -1.1 20.8 45 56 A D - 0 0 1 27,-2.1 -12,-0.2 -2,-0.8 -1,-0.2 0.334 68.1-139.1 79.6 150.2 18.4 2.2 19.6 46 57 A S - 0 0 0 34,-0.6 2,-0.2 1,-0.2 35,-0.1 0.191 40.5 -68.1-108.9-126.4 19.1 5.3 21.7 47 58 A S - 0 0 0 2,-0.2 36,-0.6 33,-0.1 -1,-0.2 -0.644 43.3 -82.4-130.1-174.4 18.2 8.9 20.6 48 59 A W S S- 0 0 73 -2,-0.2 2,-0.2 34,-0.2 34,-0.1 0.815 103.1 -11.9 -53.5 -44.4 18.8 11.8 18.3 49 60 A D S > S- 0 0 58 30,-0.1 4,-1.8 34,-0.1 -2,-0.2 -0.812 80.5 -83.2-145.6-171.4 21.8 13.2 20.3 50 61 A D H > S+ 0 0 44 32,-0.3 4,-2.9 -2,-0.2 5,-0.2 0.934 119.5 55.2 -68.9 -48.3 23.6 13.0 23.6 51 62 A K H > S+ 0 0 152 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.856 113.8 41.7 -54.2 -41.2 21.3 15.3 25.6 52 63 A L H > S+ 0 0 27 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.880 113.2 53.1 -74.4 -38.9 18.3 13.2 24.7 53 64 A T H X S+ 0 0 0 -4,-1.8 4,-2.4 2,-0.2 -2,-0.2 0.889 109.0 49.9 -63.8 -38.8 20.1 9.9 25.2 54 65 A K H X S+ 0 0 70 -4,-2.9 4,-2.7 2,-0.2 5,-0.2 0.955 111.0 48.0 -64.3 -50.1 21.2 10.9 28.7 55 66 A E H X S+ 0 0 61 -4,-1.6 4,-2.0 -5,-0.2 -2,-0.2 0.877 112.3 51.6 -57.5 -40.1 17.6 11.9 29.7 56 67 A L H X S+ 0 0 0 -4,-2.2 4,-2.0 2,-0.2 5,-0.2 0.941 111.0 44.7 -62.6 -53.3 16.4 8.6 28.3 57 68 A I H X S+ 0 0 3 -4,-2.4 4,-2.7 1,-0.2 5,-0.3 0.955 114.1 49.9 -58.1 -48.0 18.8 6.4 30.2 58 69 A E H X S+ 0 0 100 -4,-2.7 4,-1.8 1,-0.2 -1,-0.2 0.870 109.0 53.2 -61.5 -35.1 18.3 8.3 33.4 59 70 A M H X S+ 0 0 37 -4,-2.0 4,-1.8 -5,-0.2 -1,-0.2 0.918 114.8 38.2 -67.7 -46.3 14.5 8.0 33.1 60 71 A V H X S+ 0 0 0 -4,-2.0 4,-3.0 2,-0.2 5,-0.3 0.858 112.6 55.2 -75.9 -36.2 14.4 4.2 32.6 61 72 A E H X>S+ 0 0 28 -4,-2.7 4,-1.7 -5,-0.2 5,-0.9 0.968 111.7 45.9 -60.4 -45.8 17.2 3.4 35.1 62 73 A K H <5S+ 0 0 167 -4,-1.8 -2,-0.2 -5,-0.3 -1,-0.2 0.921 117.0 44.3 -60.8 -47.6 15.2 5.4 37.8 63 74 A K H <5S+ 0 0 93 -4,-1.8 -2,-0.2 1,-0.2 -1,-0.2 0.953 122.4 33.6 -63.9 -54.2 11.9 3.7 36.9 64 75 A F H <5S- 0 0 29 -4,-3.0 -1,-0.2 2,-0.2 -2,-0.2 0.525 99.4-130.7 -83.8 -7.7 13.1 0.1 36.5 65 76 A Q T <5S+ 0 0 155 -4,-1.7 2,-0.3 -5,-0.3 -3,-0.2 0.934 72.7 85.3 56.3 52.4 15.7 0.2 39.2 66 77 A K S > S- 0 0 50 1,-0.1 4,-2.9 4,-0.1 3,-2.4 -0.258 75.7-107.5 -62.0 150.7 22.3 7.7 10.7 78 89 A A H 3> S+ 0 0 47 1,-0.3 4,-2.0 2,-0.2 -1,-0.1 0.772 117.4 60.3 -44.9 -38.5 22.5 10.6 13.1 79 90 A D H 34 S+ 0 0 13 1,-0.2 -1,-0.3 2,-0.2 -30,-0.1 0.725 118.4 29.2 -67.7 -21.3 19.1 9.9 14.7 80 91 A R H <4 S+ 0 0 0 -3,-2.4 -34,-0.6 -32,-0.1 3,-0.4 0.766 129.0 37.3-104.7 -40.9 20.3 6.4 15.7 81 92 A I H >< S+ 0 0 0 -4,-2.9 3,-2.4 1,-0.2 4,-0.2 0.674 88.7 100.3 -87.4 -16.3 24.0 6.9 16.2 82 93 A G T 3< S+ 0 0 11 -4,-2.0 -32,-0.3 -5,-0.4 3,-0.3 0.642 80.7 47.4 -42.6 -33.6 23.7 10.4 17.8 83 94 A G T 3> S+ 0 0 0 -36,-0.6 4,-2.1 -3,-0.4 -1,-0.3 0.165 75.3 113.1-100.4 22.0 24.0 9.3 21.4 84 95 A I H <> S+ 0 0 3 -3,-2.4 4,-2.9 1,-0.2 5,-0.2 0.848 72.6 56.9 -60.5 -37.3 27.1 7.1 20.9 85 96 A K H > S+ 0 0 94 -3,-0.3 4,-2.2 -4,-0.2 -1,-0.2 0.914 108.0 47.9 -61.4 -43.1 29.4 9.4 22.9 86 97 A T H > S+ 0 0 1 -3,-0.2 4,-1.6 2,-0.2 6,-0.2 0.939 112.7 48.0 -63.0 -47.6 27.1 9.1 25.9 87 98 A L H X>S+ 0 0 0 -4,-2.1 5,-2.2 1,-0.2 4,-0.5 0.961 112.1 49.7 -57.5 -52.7 26.9 5.4 25.7 88 99 A K H ><5S+ 0 0 96 -4,-2.9 3,-1.0 1,-0.2 -2,-0.2 0.884 111.3 46.8 -55.7 -47.1 30.7 5.0 25.3 89 100 A E H 3<5S+ 0 0 137 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.773 110.5 52.0 -70.2 -26.6 31.6 7.2 28.3 90 101 A R H 3<5S- 0 0 99 -4,-1.6 -1,-0.2 -3,-0.5 -2,-0.2 0.456 115.4-114.1 -88.4 1.2 29.0 5.5 30.6 91 102 A G T <<5 + 0 0 66 -3,-1.0 2,-0.6 -4,-0.5 -3,-0.2 0.712 62.7 152.0 76.6 19.9 30.4 2.1 29.7 92 103 A I < - 0 0 12 -5,-2.2 -1,-0.2 -6,-0.2 -22,-0.2 -0.771 49.5-116.7 -89.9 123.4 27.3 0.9 28.0 93 104 A K E -g 70 0A 119 -24,-1.9 -22,-2.5 -2,-0.6 2,-0.8 -0.385 24.2-157.6 -61.4 122.4 27.9 -1.7 25.3 94 105 A A E -g 71 0A 5 -2,-0.2 19,-3.6 -24,-0.2 20,-0.3 -0.855 11.5-161.9-107.7 95.8 26.9 -0.4 21.8 95 106 A H E +g 72 0A 12 -24,-3.0 -22,-2.6 -2,-0.8 2,-0.3 -0.487 24.7 135.8 -79.3 147.2 26.2 -3.4 19.5 96 107 A S - 0 0 0 -24,-0.2 20,-3.4 -2,-0.2 2,-0.2 -0.963 52.2 -83.0-172.6 173.7 26.1 -3.1 15.7 97 108 A T B > -h 116 0B 11 -24,-0.3 4,-2.2 -2,-0.3 17,-0.3 -0.493 42.8-110.2 -85.1 166.5 27.2 -4.7 12.5 98 109 A A H > S+ 0 0 63 18,-0.7 4,-2.6 16,-0.4 5,-0.2 0.865 120.6 55.5 -63.4 -34.9 30.7 -4.0 11.1 99 110 A L H > S+ 0 0 35 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.929 107.4 45.7 -63.7 -48.7 29.0 -2.1 8.3 100 111 A T H > S+ 0 0 0 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.918 112.7 53.2 -61.6 -41.2 27.1 0.2 10.7 101 112 A A H X S+ 0 0 5 -4,-2.2 4,-1.9 1,-0.2 -2,-0.2 0.941 110.2 45.5 -60.3 -47.8 30.4 0.7 12.7 102 113 A E H X S+ 0 0 111 -4,-2.6 4,-2.4 1,-0.2 -1,-0.2 0.861 111.6 52.4 -66.1 -36.2 32.4 1.7 9.6 103 114 A L H X S+ 0 0 23 -4,-2.3 4,-1.3 2,-0.2 -1,-0.2 0.856 108.0 51.7 -67.1 -36.0 29.6 4.1 8.3 104 115 A A H <>S+ 0 0 0 -4,-2.1 5,-3.1 -5,-0.2 -2,-0.2 0.941 111.8 46.7 -65.3 -45.6 29.5 5.8 11.7 105 116 A K H ><5S+ 0 0 133 -4,-1.9 3,-2.2 3,-0.2 -2,-0.2 0.929 109.3 52.5 -61.4 -48.6 33.3 6.4 11.6 106 117 A K H 3<5S+ 0 0 157 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.801 110.6 50.3 -58.9 -29.5 33.4 7.6 8.0 107 118 A N T 3<5S- 0 0 105 -4,-1.3 -1,-0.3 -5,-0.2 -2,-0.2 0.380 126.4-101.6 -90.3 2.4 30.7 10.1 9.1 108 119 A G T < 5S+ 0 0 68 -3,-2.2 2,-0.2 1,-0.3 -3,-0.2 0.603 77.2 130.8 90.7 12.2 32.7 11.3 12.1 109 120 A Y < - 0 0 85 -5,-3.1 -1,-0.3 -6,-0.2 -2,-0.1 -0.639 65.9-100.9 -97.8 157.1 31.0 9.4 14.9 110 121 A E - 0 0 70 -2,-0.2 -26,-0.1 -29,-0.1 -1,-0.1 -0.433 53.6-109.4 -66.5 148.8 32.5 7.3 17.7 111 122 A E - 0 0 86 -7,-0.1 -17,-0.1 -2,-0.1 -10,-0.1 -0.678 18.0-138.2 -99.7 138.6 32.1 3.7 16.7 112 123 A P - 0 0 6 0, 0.0 -17,-0.2 0, 0.0 -1,-0.1 -0.142 46.8 -83.0 -69.5-178.5 29.8 1.0 18.1 113 124 A L - 0 0 104 -19,-3.6 -18,-0.2 1,-0.1 -15,-0.1 0.692 36.7-147.1 -62.9 -30.6 31.2 -2.6 18.5 114 125 A G + 0 0 19 -17,-0.3 -16,-0.4 -20,-0.3 -17,-0.1 0.727 58.2 129.5 65.1 21.2 30.7 -4.0 15.0 115 126 A D + 0 0 59 -18,-0.2 -18,-0.2 -17,-0.1 2,-0.2 0.691 36.9 97.3 -81.4 -21.3 30.1 -7.3 16.8 116 127 A L B -h 97 0B 4 -20,-3.4 -18,-0.7 1,-0.1 4,-0.1 -0.478 52.4-166.2 -77.1 140.6 26.8 -8.3 15.0 117 128 A Q - 0 0 130 -2,-0.2 3,-0.3 -20,-0.1 -1,-0.1 -0.003 48.4 -74.5-100.7-154.9 26.7 -10.6 12.0 118 129 A T S S+ 0 0 86 1,-0.3 15,-2.7 14,-0.1 2,-0.4 0.908 128.8 16.7 -71.9 -43.0 23.9 -11.4 9.5 119 130 A V E S+I 132 0C 48 13,-0.2 2,-0.5 2,-0.0 -1,-0.3 -0.970 80.3 178.3-131.4 111.2 22.1 -13.4 12.2 120 131 A T E -I 131 0C 21 11,-2.0 11,-2.6 -2,-0.4 2,-0.7 -0.973 16.7-152.8-120.4 129.1 23.2 -12.8 15.8 121 132 A N E -I 130 0C 118 -2,-0.5 2,-0.3 9,-0.2 9,-0.2 -0.889 18.8-177.4-103.8 110.7 21.7 -14.5 18.7 122 133 A L E -I 129 0C 32 7,-3.7 7,-2.8 -2,-0.7 2,-0.4 -0.752 10.6-161.9-104.6 154.8 22.0 -12.5 21.9 123 134 A K E -I 128 0C 126 -2,-0.3 2,-0.7 5,-0.3 5,-0.3 -0.965 3.3-166.6-140.6 119.9 20.8 -13.5 25.4 124 135 A F E > -I 127 0C 5 3,-2.4 3,-2.1 -2,-0.4 2,-1.6 -0.785 61.0 -73.0-111.7 88.9 20.3 -11.0 28.2 125 136 A G T 3 S- 0 0 45 -2,-0.7 -88,-0.0 1,-0.3 -1,-0.0 -0.489 123.2 -5.8 67.6 -89.7 20.0 -12.9 31.5 126 137 A N T 3 S+ 0 0 57 -2,-1.6 -1,-0.3 2,-0.0 2,-0.1 0.710 123.4 85.3-102.3 -34.2 16.5 -14.3 30.9 127 138 A M E < -I 124 0C 5 -3,-2.1 -3,-2.4 -4,-0.1 2,-0.4 -0.343 61.6-152.5 -73.9 149.0 15.7 -12.5 27.7 128 139 A K E -I 123 0C 93 -5,-0.3 2,-0.4 -2,-0.1 21,-0.3 -0.974 13.4-175.4-122.3 135.7 16.7 -13.7 24.2 129 140 A V E -I 122 0C 4 -7,-2.8 -7,-3.7 -2,-0.4 2,-0.4 -0.992 7.4-162.2-137.5 127.7 17.3 -11.2 21.3 130 141 A E E -IJ 121 146C 26 16,-2.6 16,-3.1 -2,-0.4 2,-0.4 -0.918 3.6-158.9-113.0 132.2 18.0 -11.9 17.7 131 142 A T E -IJ 120 145C 1 -11,-2.6 -11,-2.0 -2,-0.4 2,-0.4 -0.863 12.1-171.0-104.7 145.5 19.5 -9.3 15.3 132 143 A F E -IJ 119 144C 19 12,-2.2 12,-2.3 -2,-0.4 -13,-0.2 -0.961 20.1-154.0-144.6 122.7 19.0 -9.8 11.5 133 144 A Y + 0 0 54 -15,-2.7 10,-0.2 -2,-0.4 3,-0.1 -0.859 17.0 177.5 -92.5 112.1 20.5 -8.0 8.5 134 145 A P - 0 0 3 0, 0.0 2,-0.2 0, 0.0 50,-0.2 0.532 50.0 -90.8 -91.8 -7.6 17.9 -8.5 5.7 135 146 A G - 0 0 16 7,-0.4 2,-0.1 5,-0.1 43,-0.0 -0.671 65.4 -29.6 122.9-179.0 19.7 -6.5 3.0 136 147 A K + 0 0 63 -2,-0.2 45,-0.4 1,-0.1 4,-0.2 -0.377 69.2 120.0 -74.9 148.8 19.7 -2.9 1.9 137 148 A G S S+ 0 0 0 2,-2.7 37,-2.8 35,-0.2 41,-0.2 -0.290 79.0 15.6-162.3-108.3 16.7 -0.6 2.2 138 149 A H S S- 0 0 13 35,-0.2 2,-0.3 40,-0.1 34,-0.3 0.846 142.3 -5.4 -51.0 -38.6 16.4 2.7 4.1 139 150 A T S S- 0 0 4 34,-0.1 -2,-2.7 35,-0.1 3,-0.2 -0.863 82.3 -99.8-143.8 177.8 20.2 2.6 4.2 140 151 A E S S+ 0 0 68 -2,-0.3 -5,-0.1 32,-0.2 -40,-0.1 0.793 119.2 38.8 -75.5 -24.4 22.8 0.1 3.2 141 152 A D S S+ 0 0 2 -42,-0.1 -41,-0.2 -5,-0.1 -1,-0.2 0.450 76.5 141.5-107.8 -4.2 23.2 -1.2 6.7 142 153 A N - 0 0 2 -3,-0.2 -7,-0.4 -9,-0.1 2,-0.3 -0.064 26.3-173.8 -49.6 132.0 19.7 -1.3 8.3 143 154 A I - 0 0 1 -69,-2.0 2,-0.3 -10,-0.2 -10,-0.2 -0.868 14.4-138.2-123.7 162.3 19.0 -4.2 10.6 144 155 A V E -J 132 0C 0 -12,-2.3 -12,-2.2 -2,-0.3 2,-0.4 -0.806 11.9-138.2-117.5 159.0 15.9 -5.5 12.4 145 156 A V E -JK 131 154C 0 9,-2.3 9,-3.3 -2,-0.3 2,-0.4 -0.983 13.5-160.8-123.1 133.0 15.5 -6.9 15.9 146 157 A W E -JK 130 153C 23 -16,-3.1 -16,-2.6 -2,-0.4 7,-0.2 -0.938 11.7-163.6-118.4 130.6 13.4 -9.9 16.9 147 158 A L E >>> - K 0 152C 2 5,-2.9 3,-1.7 -2,-0.4 5,-1.6 -0.841 9.5-174.9-110.7 93.4 12.1 -10.9 20.4 148 159 A P T 345S+ 0 0 47 0, 0.0 -1,-0.2 0, 0.0 3,-0.1 0.828 77.8 66.3 -56.0 -39.4 11.1 -14.6 20.0 149 160 A Q T 345S+ 0 0 77 -21,-0.3 -20,-0.0 1,-0.2 -2,-0.0 0.624 123.7 16.8 -62.3 -11.7 9.6 -14.9 23.5 150 161 A Y T <45S- 0 0 43 -3,-1.7 -1,-0.2 2,-0.1 43,-0.2 0.314 101.3-121.4-138.1 -2.5 6.9 -12.4 22.4 151 162 A N T <5 + 0 0 40 -4,-1.2 42,-3.0 1,-0.2 43,-1.0 0.910 58.8 154.1 55.2 45.5 7.2 -12.6 18.6 152 163 A I E < -Kl 147 194C 7 -5,-1.6 -5,-2.9 41,-0.2 2,-0.4 -0.847 29.3-157.6-105.7 142.4 7.9 -8.8 18.4 153 164 A L E -Kl 146 195C 0 41,-1.8 43,-2.8 -2,-0.4 2,-0.7 -0.983 9.5-156.8-125.4 127.0 9.9 -7.2 15.6 154 165 A V E +Kl 145 196C 4 -9,-3.3 -9,-2.3 -2,-0.4 41,-0.1 -0.915 16.3 179.5 -99.4 110.8 11.7 -3.8 15.8 155 166 A G E > - 0 0 1 41,-2.6 3,-1.2 -2,-0.7 -1,-0.1 0.708 12.6-164.3 -88.7 -21.2 11.9 -2.8 12.1 156 167 A G E > - l 0 197C 3 40,-1.0 42,-2.3 1,-0.2 3,-1.2 -0.321 64.4 -29.8 68.0-154.6 13.7 0.5 12.5 157 168 A X T 3 S+ 0 0 19 1,-0.2 -1,-0.2 41,-0.2 -2,-0.0 0.453 125.7 81.0 -77.8 1.9 13.5 2.8 9.4 158 169 A L T < S+ 0 0 0 -3,-1.2 2,-0.4 -15,-0.2 -1,-0.2 0.713 95.5 53.5 -72.9 -22.5 13.3 -0.2 7.1 159 170 A V S < S- 0 0 2 -3,-1.2 39,-1.2 -4,-0.1 40,-0.4 -0.965 77.0-153.3-118.9 128.3 9.6 -0.2 8.0 160 171 A K - 0 0 40 47,-0.4 51,-0.2 -2,-0.4 2,-0.1 -0.657 17.6-124.9 -97.1 155.7 7.2 2.8 7.7 161 172 A S > - 0 0 3 38,-0.3 2,-2.1 -2,-0.2 3,-1.9 -0.443 35.6 -86.1 -94.5 173.5 4.2 3.3 9.9 162 173 A T T 3 S+ 0 0 84 39,-0.3 39,-0.1 1,-0.3 3,-0.1 -0.556 123.4 52.2 -79.9 76.9 0.5 3.9 9.0 163 174 A S T 3 S+ 0 0 71 -2,-2.1 2,-0.7 1,-0.2 -1,-0.3 0.087 80.5 101.9-178.8 -21.5 1.0 7.7 8.7 164 175 A A < + 0 0 16 -3,-1.9 -1,-0.2 1,-0.2 -4,-0.1 -0.725 35.3 170.6 -85.5 110.7 3.9 7.8 6.3 165 176 A K + 0 0 157 -2,-0.7 2,-0.2 -3,-0.1 -1,-0.2 0.331 69.7 50.5 -97.7 2.1 2.7 8.6 2.8 166 177 A D S S- 0 0 121 1,-0.0 -3,-0.1 -3,-0.0 3,-0.1 -0.757 83.9-122.0-128.9 174.0 6.4 9.0 1.8 167 178 A L - 0 0 32 1,-0.4 2,-0.2 -2,-0.2 -3,-0.0 0.439 52.4-141.6 -95.8 -3.6 9.5 7.0 2.0 168 179 A G + 0 0 45 2,-0.1 2,-0.8 -8,-0.0 -1,-0.4 -0.549 63.5 4.1 79.7-145.8 11.1 9.9 3.8 169 180 A N + 0 0 137 -2,-0.2 3,-0.3 1,-0.1 -3,-0.0 -0.690 61.7 174.7 -79.6 109.1 14.7 10.8 3.2 170 181 A V > + 0 0 68 -2,-0.8 3,-0.9 1,-0.2 5,-0.2 0.150 44.0 113.2 -99.7 16.9 15.9 8.4 0.4 171 182 A A T 3 S+ 0 0 89 1,-0.3 -1,-0.2 3,-0.1 -32,-0.1 0.859 92.4 24.8 -56.8 -40.7 19.3 10.0 0.0 172 183 A D T 3 S+ 0 0 89 -3,-0.3 -1,-0.3 -34,-0.3 -32,-0.2 0.209 105.2 117.0-110.0 15.1 21.1 6.9 1.4 173 184 A A < - 0 0 21 -3,-0.9 2,-0.4 -34,-0.1 -35,-0.2 -0.353 57.8-146.5 -86.8 160.3 18.4 4.5 0.4 174 185 A Y > - 0 0 82 -37,-2.8 4,-2.1 -35,-0.2 3,-0.3 -0.766 18.9-179.8-124.8 78.8 18.3 1.5 -2.0 175 186 A V H > S+ 0 0 65 -2,-0.4 4,-0.5 1,-0.2 -1,-0.1 0.725 77.5 53.9 -55.5 -24.6 14.7 1.6 -3.2 176 187 A N H 4 S+ 0 0 138 2,-0.1 4,-0.5 1,-0.1 3,-0.4 0.919 114.6 35.4 -79.5 -44.4 15.2 -1.4 -5.5 177 188 A E H > S+ 0 0 71 -3,-0.3 4,-2.6 1,-0.2 3,-0.3 0.716 98.5 83.2 -81.7 -20.8 16.6 -3.9 -2.9 178 189 A W H X S+ 0 0 0 -4,-2.1 4,-2.2 1,-0.2 -1,-0.2 0.846 90.2 50.3 -50.7 -41.1 14.3 -2.5 -0.1 179 190 A S H X S+ 0 0 39 -4,-0.5 4,-1.6 -3,-0.4 -1,-0.2 0.908 112.3 46.7 -66.8 -41.5 11.4 -4.7 -1.3 180 191 A T H > S+ 0 0 90 -4,-0.5 4,-1.5 -3,-0.3 -2,-0.2 0.850 110.5 53.7 -67.2 -37.1 13.5 -7.8 -1.4 181 192 A S H X S+ 0 0 3 -4,-2.6 4,-1.4 -45,-0.4 3,-0.3 0.926 107.3 49.6 -65.1 -43.2 14.9 -7.0 2.0 182 193 A I H X S+ 0 0 0 -4,-2.2 4,-2.2 1,-0.2 -1,-0.2 0.858 108.9 54.4 -62.9 -33.9 11.4 -6.6 3.5 183 194 A E H X S+ 0 0 94 -4,-1.6 4,-2.1 1,-0.2 -1,-0.2 0.829 101.7 57.6 -68.0 -34.5 10.6 -10.0 1.9 184 195 A N H X S+ 0 0 66 -4,-1.5 4,-1.9 -3,-0.3 -1,-0.2 0.888 108.4 47.1 -61.6 -39.8 13.6 -11.5 3.7 185 196 A V H X S+ 0 0 0 -4,-1.4 4,-3.2 2,-0.2 -2,-0.2 0.930 111.6 49.4 -66.0 -48.2 12.0 -10.4 7.0 186 197 A L H < S+ 0 0 15 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.831 113.5 47.7 -60.4 -35.7 8.6 -11.8 6.1 187 198 A K H < S+ 0 0 165 -4,-2.1 3,-0.3 -5,-0.1 -1,-0.2 0.850 115.8 42.9 -74.8 -38.3 10.2 -15.1 5.1 188 199 A R H < S+ 0 0 104 -4,-1.9 2,-0.7 1,-0.3 -2,-0.2 0.910 122.5 37.8 -75.1 -42.1 12.3 -15.4 8.3 189 200 A Y < + 0 0 12 -4,-3.2 -1,-0.3 -5,-0.2 3,-0.2 -0.786 63.6 164.6-115.1 90.1 9.5 -14.3 10.7 190 201 A R S S+ 0 0 190 -2,-0.7 2,-0.3 -3,-0.3 -1,-0.1 0.508 70.8 48.4 -82.2 -6.3 6.2 -15.8 9.5 191 202 A N + 0 0 107 14,-0.0 2,-0.5 0, 0.0 -1,-0.2 -0.777 68.8 171.8-139.4 88.8 4.3 -15.1 12.7 192 203 A I - 0 0 22 -2,-0.3 13,-0.4 -3,-0.2 -40,-0.2 -0.877 19.1-169.9-103.9 129.9 4.7 -11.6 14.1 193 204 A N S S- 0 0 101 -42,-3.0 2,-0.3 -2,-0.5 -41,-0.2 0.885 74.9 -3.5 -81.3 -42.5 2.6 -10.4 17.0 194 205 A A E -l 152 0C 18 -43,-1.0 -41,-1.8 10,-0.1 2,-0.4 -0.979 59.8-146.5-149.4 157.8 3.6 -6.7 16.7 195 206 A V E -lM 153 203C 0 8,-2.1 8,-2.8 -2,-0.3 -41,-0.2 -0.987 5.5-155.1-134.5 125.7 5.8 -4.4 14.7 196 207 A V E -l 154 0C 1 -43,-2.8 -41,-2.6 -2,-0.4 -40,-1.0 -0.874 16.9-152.7-102.5 108.4 7.6 -1.3 15.9 197 208 A P E -l 156 0C 1 0, 0.0 -40,-0.2 0, 0.0 -37,-0.2 -0.353 28.1-111.3 -74.7 160.3 8.4 1.1 13.0 198 209 A G S S+ 0 0 2 -42,-2.3 -167,-3.1 -39,-1.2 2,-0.3 0.857 106.0 12.3 -58.7 -36.4 11.3 3.5 13.1 199 210 A H B S+D 30 0A 37 -40,-0.4 -38,-0.3 -43,-0.3 -169,-0.2 -0.967 112.0 29.8-139.4 148.3 8.8 6.3 13.4 200 211 A G S S- 0 0 24 -171,-0.9 2,-0.1 -2,-0.3 -37,-0.1 -0.435 92.3 -27.5 100.9-172.5 5.1 6.2 14.0 201 212 A E - 0 0 103 -2,-0.1 -39,-0.3 1,-0.1 -2,-0.1 -0.462 67.0 -96.3 -84.4 153.4 2.7 3.9 16.0 202 213 A V + 0 0 60 -2,-0.1 -6,-0.2 -6,-0.1 2,-0.2 -0.244 54.8 153.7 -63.1 152.0 3.2 0.2 16.7 203 214 A G B -M 195 0C 25 -8,-2.8 -8,-2.1 -42,-0.0 2,-0.2 -0.507 32.5-105.6-149.0-141.9 1.5 -2.2 14.3 204 215 A D > - 0 0 90 -10,-0.3 3,-3.0 -2,-0.2 4,-0.4 -0.701 64.2 -46.5-145.1-163.9 1.7 -5.7 12.9 205 216 A K T >> S+ 0 0 95 -13,-0.4 4,-1.3 1,-0.3 3,-1.2 0.752 121.8 76.9 -45.0 -28.5 2.7 -7.5 9.7 206 217 A G H 3> S+ 0 0 31 1,-0.3 4,-1.5 2,-0.2 -1,-0.3 0.658 82.3 65.2 -60.1 -19.5 0.6 -4.9 7.9 207 218 A L H <> S+ 0 0 2 -3,-3.0 4,-1.6 2,-0.2 -47,-0.4 0.847 100.2 49.6 -72.3 -35.8 3.4 -2.4 8.3 208 219 A L H <> S+ 0 0 0 -3,-1.2 4,-2.4 -4,-0.4 -2,-0.2 0.899 111.5 47.8 -68.9 -42.7 5.7 -4.4 6.0 209 220 A L H X S+ 0 0 90 -4,-1.3 4,-1.7 1,-0.2 -2,-0.2 0.873 110.5 53.9 -66.0 -34.6 3.1 -4.7 3.3 210 221 A H H X S+ 0 0 39 -4,-1.5 4,-1.5 2,-0.2 -1,-0.2 0.843 108.1 49.0 -66.1 -37.7 2.4 -1.0 3.7 211 222 A T H X S+ 0 0 0 -4,-1.6 4,-1.2 2,-0.2 -2,-0.2 0.931 107.1 55.8 -69.3 -43.0 6.1 -0.3 3.1 212 223 A L H < S+ 0 0 26 -4,-2.4 3,-0.4 1,-0.2 -2,-0.2 0.880 107.3 49.2 -55.3 -40.3 6.1 -2.5 0.1 213 224 A D H >< S+ 0 0 109 -4,-1.7 3,-1.5 1,-0.2 -1,-0.2 0.857 106.8 55.4 -68.1 -37.0 3.3 -0.4 -1.5 214 225 A L H 3< S+ 0 0 33 -4,-1.5 -1,-0.2 1,-0.3 -2,-0.2 0.728 99.9 62.3 -67.0 -22.8 5.2 2.8 -0.7 215 226 A L T 3< 0 0 26 -4,-1.2 -1,-0.3 -3,-0.4 -2,-0.2 0.257 360.0 360.0 -86.4 9.5 8.1 1.3 -2.7 216 227 A K < 0 0 226 -3,-1.5 -3,-0.0 0, 0.0 0, 0.0 -0.815 360.0 360.0-102.1 360.0 6.0 1.2 -5.9