==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=13-MAR-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 07-MAR-10 3M2J . COMPND 2 MOLECULE: BETA-LACTAMASE; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS LICHENIFORMIS; . AUTHOR Y.X.ZHAO,Y.C.LEUNG,W.T.WONG . 513 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 21443.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 347 67.6 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 . 71 13.8 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 0 0.0 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 11.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 164 32.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 10 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 0 0 0 0 1 1 2 4 5 1 0 2 0 0 0 0 0 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 4 0 2 2 0 0 3 1 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 . 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 31 A D > 0 0 142 0, 0.0 4,-1.6 0, 0.0 5,-0.0 0.000 360.0 360.0 360.0 -47.5 26.0 33.9 3.7 2 32 A D H > + 0 0 74 2,-0.2 4,-1.7 3,-0.1 5,-0.1 0.782 360.0 52.6 -62.8 -32.2 26.1 33.8 7.5 3 33 A F H > S+ 0 0 13 2,-0.2 4,-2.2 1,-0.2 5,-0.1 0.919 107.0 50.1 -69.5 -43.7 24.1 30.6 6.7 4 34 A A H > S+ 0 0 36 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.889 109.8 51.1 -50.4 -48.6 26.9 29.5 4.3 5 35 A K H X S+ 0 0 88 -4,-1.6 4,-2.5 2,-0.2 -1,-0.2 0.852 108.3 51.4 -61.3 -39.6 29.4 30.1 7.1 6 36 A L H X S+ 0 0 11 -4,-1.7 4,-2.3 2,-0.2 -2,-0.2 0.885 107.6 52.7 -68.5 -40.4 27.3 28.0 9.5 7 37 A E H <>S+ 0 0 25 -4,-2.2 5,-1.7 2,-0.2 4,-0.3 0.860 111.3 47.6 -57.1 -40.9 27.2 25.1 7.1 8 38 A E H ><5S+ 0 0 157 -4,-1.7 3,-0.6 3,-0.2 -2,-0.2 0.931 113.2 47.8 -63.4 -51.8 31.0 25.4 6.9 9 39 A Q H 3<5S+ 0 0 123 -4,-2.5 -2,-0.2 1,-0.2 -3,-0.2 0.832 122.6 32.0 -60.8 -39.1 31.4 25.5 10.7 10 40 A F T 3<5S- 0 0 41 -4,-2.3 -1,-0.2 -5,-0.1 -2,-0.2 0.314 100.7-126.6-106.8 10.4 29.1 22.5 11.5 11 41 A D T < 5S+ 0 0 89 -3,-0.6 2,-0.3 -4,-0.3 -3,-0.2 0.930 70.9 117.5 43.2 58.2 29.8 20.5 8.3 12 42 A A < - 0 0 16 -5,-1.7 2,-0.4 -6,-0.2 220,-0.2 -0.873 68.3-113.0-145.7 168.9 26.0 20.4 7.6 13 43 A K E -A 231 0A 61 218,-2.9 218,-1.6 -2,-0.3 2,-0.4 -0.947 32.3-154.9-113.0 133.1 23.3 21.4 5.2 14 44 A L E -A 230 0A 0 -2,-0.4 2,-0.4 216,-0.2 216,-0.2 -0.859 11.1-165.8-109.4 143.6 20.8 23.9 6.4 15 45 A G E +A 229 0A 0 214,-2.6 214,-2.8 -2,-0.4 2,-0.4 -0.983 18.9 176.7-127.4 119.6 17.2 24.5 5.3 16 46 A I E +AB 228 29A 0 13,-3.0 13,-2.5 -2,-0.4 2,-0.3 -0.979 14.4 161.5-133.1 124.5 15.7 27.8 6.4 17 47 A F E +AB 227 28A 13 210,-1.6 210,-2.4 -2,-0.4 2,-0.4 -0.930 10.1 171.1-138.1 125.6 12.4 29.5 5.8 18 48 A A E -AB 226 27A 0 9,-2.3 9,-1.6 -2,-0.3 2,-0.4 -0.985 11.0-165.6-132.3 143.8 11.0 32.3 7.9 19 49 A L E -AB 225 26A 22 206,-2.7 206,-2.7 -2,-0.4 2,-0.7 -0.981 15.3-146.1-130.8 123.3 8.0 34.5 7.4 20 50 A D E > -A 224 0A 27 5,-3.4 4,-2.3 -2,-0.4 204,-0.2 -0.765 10.8-160.8 -80.8 117.4 7.1 37.7 9.2 21 51 A T T 4 S+ 0 0 20 202,-2.4 -1,-0.2 -2,-0.7 203,-0.1 0.726 86.6 56.5 -77.3 -17.0 3.3 37.6 9.3 22 52 A G T 4 S+ 0 0 41 201,-0.4 -1,-0.2 200,-0.2 202,-0.1 0.859 127.1 13.3 -76.7 -35.3 3.2 41.4 10.0 23 53 A T T 4 S- 0 0 66 2,-0.2 -2,-0.2 -3,-0.1 -1,-0.1 0.511 92.4-124.0-118.1 -10.6 5.1 42.5 6.9 24 54 A N < + 0 0 108 -4,-2.3 2,-0.1 1,-0.3 -3,-0.1 0.518 58.4 153.3 62.3 7.6 5.2 39.4 4.7 25 55 A R - 0 0 152 -5,-0.2 -5,-3.4 -6,-0.1 -1,-0.3 -0.437 26.2-159.7 -61.2 146.0 9.0 39.7 4.7 26 56 A T E -B 19 0A 71 -7,-0.2 2,-0.4 -2,-0.1 -7,-0.2 -0.846 20.2-158.9-132.3 153.2 10.8 36.4 4.3 27 57 A V E +B 18 0A 17 -9,-1.6 -9,-2.3 -2,-0.3 2,-0.3 -0.914 23.9 179.7-145.8 114.1 14.4 34.8 4.9 28 59 A A E +B 17 0A 46 -2,-0.4 2,-0.3 -11,-0.2 -11,-0.2 -0.939 20.7 167.8-119.4 141.9 15.1 31.9 2.9 29 60 A Y E S-B 16 0A 43 -13,-2.5 -13,-3.0 -2,-0.3 -2,-0.0 -0.857 89.6 -23.1-152.9 112.4 18.2 29.5 2.6 30 61 A R S > S+ 0 0 110 -2,-0.3 3,-1.6 -15,-0.2 120,-0.3 0.924 83.9 170.5 45.8 51.6 17.6 26.3 0.7 31 62 A P T 3 S+ 0 0 24 0, 0.0 120,-2.2 0, 0.0 119,-0.4 0.743 70.4 43.7 -69.0 -15.6 13.9 26.9 1.5 32 63 A D T 3 S+ 0 0 97 118,-0.2 2,-0.3 117,-0.2 -2,-0.1 0.263 83.8 117.3-116.1 11.5 12.7 24.1 -0.9 33 64 A E < - 0 0 74 -3,-1.6 117,-0.5 -19,-0.1 2,-0.2 -0.626 65.2-119.5 -79.4 136.4 15.3 21.4 -0.0 34 65 A R + 0 0 79 -2,-0.3 2,-0.3 115,-0.1 115,-0.2 -0.540 35.7 168.7 -81.0 141.9 13.9 18.2 1.5 35 66 A F E -E 148 0B 6 113,-1.8 113,-1.8 -2,-0.2 2,-0.2 -0.946 49.4 -89.6-140.8 148.3 14.9 16.9 4.9 36 67 A A E -E 147 0B 6 -2,-0.3 111,-0.3 111,-0.2 110,-0.1 -0.542 36.4-148.2 -55.1 125.6 13.4 14.1 7.1 37 68 A F > + 0 0 2 109,-1.5 3,-1.6 -2,-0.2 -1,-0.2 0.782 31.2 176.3 -72.2 -23.5 10.8 16.1 9.1 38 69 A A G > - 0 0 0 108,-0.6 3,-1.8 1,-0.2 -1,-0.2 -0.229 62.9 -11.7 45.7-139.0 11.3 13.7 12.0 39 70 A S G > S+ 0 0 14 1,-0.3 3,-2.0 165,-0.2 4,-0.3 0.538 115.6 86.9 -72.6 -9.6 9.3 14.6 15.2 40 71 A T G X> S+ 0 0 0 -3,-1.6 3,-1.5 1,-0.3 4,-0.7 0.774 78.1 71.1 -54.8 -26.5 8.3 18.1 13.8 41 72 A I H <> S+ 0 0 3 -3,-1.8 4,-2.1 1,-0.3 -1,-0.3 0.686 79.7 73.7 -67.6 -20.8 5.4 16.0 12.3 42 73 A K H <> S+ 0 0 1 -3,-2.0 4,-2.1 1,-0.2 -1,-0.3 0.847 92.9 55.0 -57.1 -34.8 4.0 15.7 15.8 43 74 A A H <> S+ 0 0 1 -3,-1.5 4,-1.6 -4,-0.3 -1,-0.2 0.918 111.1 42.2 -67.6 -43.1 2.9 19.4 15.6 44 75 A L H X S+ 0 0 1 -4,-0.7 4,-1.9 2,-0.2 -2,-0.2 0.824 111.7 57.3 -71.0 -29.3 1.0 18.8 12.3 45 76 A T H X S+ 0 0 0 -4,-2.1 4,-2.3 2,-0.2 -2,-0.2 0.892 107.9 45.6 -69.6 -41.6 -0.5 15.5 13.7 46 77 A V H X S+ 0 0 0 -4,-2.1 4,-2.9 2,-0.2 5,-0.2 0.886 107.8 59.6 -69.4 -37.3 -2.0 17.3 16.7 47 78 A G H X S+ 0 0 0 -4,-1.6 4,-1.6 1,-0.2 -2,-0.2 0.919 110.0 41.8 -48.1 -49.5 -3.2 20.0 14.3 48 79 A V H X S+ 0 0 0 -4,-1.9 4,-1.7 2,-0.2 -2,-0.2 0.862 112.1 53.8 -69.4 -44.1 -5.2 17.3 12.4 49 80 A L H X S+ 0 0 1 -4,-2.3 4,-0.9 1,-0.2 3,-0.3 0.933 109.9 49.0 -53.0 -46.9 -6.4 15.6 15.7 50 81 A L H < S+ 0 0 1 -4,-2.9 3,-0.3 1,-0.2 -2,-0.2 0.841 109.7 51.3 -65.6 -38.8 -7.7 18.9 16.9 51 82 A Q H < S+ 0 0 57 -4,-1.6 -1,-0.2 -5,-0.2 -2,-0.2 0.876 111.4 48.6 -59.0 -34.9 -9.5 19.5 13.6 52 83 A Q H < S+ 0 0 96 -4,-1.7 2,-0.3 -3,-0.3 -2,-0.2 0.549 112.8 48.6 -98.3 8.8 -11.2 16.0 13.8 53 86 A K S < S- 0 0 39 -4,-0.9 2,-0.1 -3,-0.3 5,-0.0 -0.938 76.8-118.6-150.0 150.5 -12.4 16.3 17.4 54 87 A S > - 0 0 49 -2,-0.3 4,-0.9 1,-0.1 -2,-0.1 -0.382 41.2-108.0 -71.6 157.7 -14.4 18.7 19.7 55 88 A I T >4 S+ 0 0 50 1,-0.2 3,-0.9 2,-0.2 4,-0.3 0.937 124.7 52.5 -55.4 -41.1 -12.4 20.0 22.7 56 89 A E G >4 S+ 0 0 155 1,-0.2 3,-2.0 2,-0.2 -1,-0.2 0.868 99.5 62.9 -58.0 -40.3 -14.6 17.7 24.9 57 90 A D G >4 S+ 0 0 82 1,-0.3 3,-1.6 2,-0.2 29,-0.2 0.712 88.1 71.7 -60.0 -25.3 -13.8 14.6 22.6 58 91 A L G << S+ 0 0 1 -4,-0.9 29,-2.1 -3,-0.9 28,-0.8 0.718 82.9 72.1 -63.5 -20.4 -10.1 15.0 23.6 59 92 A N G < + 0 0 98 -3,-2.0 -1,-0.3 -4,-0.3 2,-0.2 0.563 68.2 120.5 -74.0 -5.6 -11.3 13.7 27.1 60 93 A Q < - 0 0 88 -3,-1.6 26,-1.3 -4,-0.1 2,-0.3 -0.399 66.0-127.4 -60.0 124.1 -11.7 10.2 25.6 61 94 A R E -F 85 0C 122 24,-0.2 2,-0.5 -2,-0.2 24,-0.3 -0.570 18.2-154.7 -81.0 132.0 -9.5 7.8 27.5 62 95 A I E -F 84 0C 18 22,-2.9 22,-1.9 -2,-0.3 2,-0.3 -0.928 5.7-154.7-107.0 124.7 -7.2 5.6 25.4 63 96 A T + 0 0 118 -2,-0.5 2,-0.3 20,-0.2 17,-0.1 -0.737 24.2 154.5 -98.8 150.6 -6.0 2.2 26.8 64 97 A Y - 0 0 9 16,-0.4 2,-0.2 -2,-0.3 19,-0.1 -0.911 25.9-138.9-158.3 174.9 -2.7 0.6 25.7 65 98 A T > - 0 0 64 -2,-0.3 3,-1.7 16,-0.0 4,-0.3 -0.746 46.4 -80.5-134.8-173.7 -0.0 -1.8 26.9 66 99 A R T 3 S+ 0 0 164 1,-0.3 3,-0.1 -2,-0.2 11,-0.0 0.584 126.2 68.0 -66.7 -7.5 3.8 -2.2 26.8 67 100 A D T 3 S+ 0 0 150 1,-0.2 -1,-0.3 0, 0.0 -3,-0.0 0.696 96.4 49.1 -84.1 -25.1 3.1 -3.5 23.4 68 101 A D S < S+ 0 0 72 -3,-1.7 2,-0.2 2,-0.0 -1,-0.2 0.398 94.8 98.7 -86.9 -3.2 2.0 -0.1 22.1 69 102 A L - 0 0 21 -4,-0.3 2,-0.1 1,-0.1 4,-0.1 -0.582 54.9-176.7 -85.5 145.3 5.1 1.4 23.6 70 103 A V - 0 0 50 -2,-0.2 3,-0.2 2,-0.1 -1,-0.1 -0.009 47.4 -52.0-117.8-135.3 8.0 2.0 21.3 71 104 A N S S+ 0 0 102 1,-0.2 2,-0.4 -2,-0.1 -2,-0.0 0.760 124.0 29.3 -79.6 -26.7 11.6 3.3 21.6 72 105 A Y + 0 0 116 1,-0.0 27,-2.0 25,-0.0 28,-0.8 -0.868 61.2 155.2-145.5 102.1 11.0 6.5 23.5 73 106 A N > + 0 0 19 -2,-0.4 4,-2.6 25,-0.2 5,-0.2 -0.403 4.4 161.8-129.6 53.1 8.0 6.7 25.9 74 107 A P T 4 S+ 0 0 22 0, 0.0 -1,-0.1 0, 0.0 4,-0.0 0.799 84.9 12.5 -53.9 -40.4 8.7 9.3 28.6 75 108 A I T >4 S+ 0 0 23 2,-0.1 3,-1.8 17,-0.1 4,-0.4 0.808 123.4 61.9 -99.4 -45.2 5.1 10.0 29.8 76 109 A T G >4 S+ 0 0 0 1,-0.3 3,-1.0 2,-0.2 4,-0.2 0.808 96.6 59.9 -54.7 -34.8 3.4 7.0 28.1 77 110 A E G 3< S+ 0 0 81 -4,-2.6 3,-0.3 1,-0.2 -1,-0.3 0.716 101.2 57.7 -66.2 -19.2 5.5 4.4 30.1 78 111 A K G < S+ 0 0 89 -3,-1.8 -1,-0.2 -5,-0.2 -2,-0.2 0.557 109.9 40.8 -84.5 -11.7 4.1 5.9 33.4 79 112 A H X> + 0 0 76 -3,-1.0 4,-2.7 -4,-0.4 3,-0.7 0.158 66.2 116.7-130.8 19.4 0.4 5.4 32.6 80 113 A V T 34 S+ 0 0 31 -3,-0.3 -16,-0.4 1,-0.2 -1,-0.1 0.829 80.2 57.9 -61.6 -25.4 0.0 1.9 31.0 81 114 A D T 34 S+ 0 0 163 1,-0.2 -1,-0.2 -3,-0.1 -2,-0.1 0.836 122.7 20.1 -70.0 -32.9 -2.1 0.9 34.0 82 115 A T T <4 S- 0 0 87 -3,-0.7 -2,-0.2 1,-0.2 -1,-0.2 0.593 98.7-135.7-111.8 -16.3 -4.7 3.7 33.6 83 116 A G < - 0 0 3 -4,-2.7 2,-0.3 -7,-0.1 -1,-0.2 -0.280 21.2-104.5 75.6-175.0 -4.4 4.8 30.0 84 117 A M E -F 62 0C 4 -22,-1.9 -22,-2.9 -2,-0.1 2,-0.1 -0.984 22.9-110.6-143.2 151.6 -4.3 8.5 29.0 85 118 A T E > -F 61 0C 14 -2,-0.3 4,-2.3 -24,-0.3 -24,-0.2 -0.359 33.5-110.0 -75.8 163.1 -6.8 10.8 27.4 86 119 A L H > S+ 0 0 0 -26,-1.3 4,-2.0 -28,-0.8 -27,-0.2 0.833 122.5 54.4 -54.5 -38.1 -6.3 12.2 23.9 87 120 A K H > S+ 0 0 91 -29,-2.1 4,-2.6 2,-0.2 -1,-0.2 0.945 110.1 45.8 -64.7 -45.4 -5.6 15.6 25.5 88 121 A E H > S+ 0 0 89 -30,-0.3 4,-1.9 1,-0.2 -2,-0.2 0.825 112.2 51.9 -62.0 -38.8 -2.8 14.0 27.7 89 122 A L H X S+ 0 0 0 -4,-2.3 4,-2.0 2,-0.2 -1,-0.2 0.869 108.9 49.6 -68.1 -33.4 -1.5 12.2 24.7 90 123 A A H X S+ 0 0 0 -4,-2.0 4,-2.8 1,-0.2 5,-0.3 0.925 111.3 51.0 -72.8 -42.8 -1.3 15.5 22.7 91 124 A D H X S+ 0 0 38 -4,-2.6 4,-2.4 1,-0.2 5,-0.4 0.904 113.0 43.9 -51.6 -50.8 0.5 17.1 25.6 92 125 A A H X S+ 0 0 1 -4,-1.9 6,-2.0 2,-0.2 4,-1.2 0.832 114.1 50.3 -70.4 -36.4 3.1 14.2 25.8 93 126 A S H X S+ 0 0 0 -4,-2.0 4,-0.9 4,-0.2 -2,-0.2 0.956 119.6 35.2 -64.6 -52.2 3.6 14.1 22.0 94 127 A L H < S+ 0 0 0 -4,-2.8 108,-0.2 -5,-0.2 -2,-0.2 0.883 125.7 34.8 -72.1 -40.8 4.2 17.8 21.7 95 128 A R H < S+ 0 0 16 -4,-2.4 87,-2.2 -5,-0.3 88,-0.5 0.746 133.1 22.1 -94.9 -24.3 6.0 18.7 24.9 96 129 A Y H < S- 0 0 25 -4,-1.2 -3,-0.2 -5,-0.4 -2,-0.2 0.346 97.6-121.8-121.1 -2.3 8.2 15.6 25.5 97 130 A S < - 0 0 15 -4,-0.9 2,-0.5 1,-0.2 -4,-0.2 0.912 39.6-171.8 59.2 43.0 8.2 14.2 22.0 98 131 A D > - 0 0 0 -6,-2.0 4,-1.9 1,-0.2 -1,-0.2 -0.613 13.7-161.9 -70.4 117.4 6.7 10.9 23.2 99 132 A N H > S+ 0 0 13 -27,-2.0 4,-2.1 -2,-0.5 34,-0.3 0.859 89.4 51.5 -73.4 -38.1 6.8 8.5 20.3 100 133 A A H > S+ 0 0 0 -28,-0.8 4,-2.1 2,-0.2 -1,-0.2 0.912 109.2 50.5 -60.8 -44.1 4.2 6.2 21.7 101 134 A A H > S+ 0 0 0 1,-0.2 4,-1.5 2,-0.2 -2,-0.2 0.904 110.0 50.9 -63.5 -42.4 1.9 9.1 22.3 102 135 A Q H X S+ 0 0 2 -4,-1.9 4,-2.7 2,-0.2 -1,-0.2 0.873 108.9 51.6 -57.6 -42.7 2.4 10.1 18.7 103 136 A N H X S+ 0 0 19 -4,-2.1 4,-2.5 1,-0.2 -2,-0.2 0.881 109.1 48.4 -68.9 -42.3 1.6 6.6 17.4 104 137 A L H X S+ 0 0 14 -4,-2.1 4,-1.4 2,-0.2 -1,-0.2 0.769 113.0 48.6 -59.0 -36.3 -1.7 6.3 19.3 105 138 A I H X S+ 0 0 0 -4,-1.5 4,-1.8 2,-0.2 5,-0.3 0.925 110.1 51.3 -72.6 -48.1 -2.7 9.7 18.0 106 139 A L H X>S+ 0 0 5 -4,-2.7 5,-3.6 1,-0.2 4,-1.2 0.926 109.7 51.6 -46.6 -50.6 -1.7 8.6 14.5 107 140 A K H <5S+ 0 0 136 -4,-2.5 -1,-0.2 3,-0.2 -2,-0.2 0.868 108.1 52.0 -53.7 -41.6 -3.9 5.5 15.1 108 141 A Q H <5S+ 0 0 69 -4,-1.4 -1,-0.2 1,-0.2 -2,-0.2 0.817 112.2 43.3 -70.5 -31.8 -6.8 7.7 16.1 109 142 A I H <5S- 0 0 19 -4,-1.8 -1,-0.2 -3,-0.3 -2,-0.2 0.570 130.0 -92.3 -90.4 -11.6 -6.8 9.9 13.1 110 143 A G T X5 - 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0 0 70 -2,-0.3 3,-1.4 18,-0.0 4,-0.3 -0.444 37.8 -86.2-119.6-166.8 4.4 51.1 34.6 324 99 B R T 3 S+ 0 0 172 1,-0.3 14,-0.0 2,-0.2 -2,-0.0 0.602 120.4 66.0 -77.3 -29.5 8.2 51.7 34.4 325 100 B D T 3 S+ 0 0 142 1,-0.1 -1,-0.3 0, 0.0 -3,-0.0 0.045 87.6 60.5 91.3 -71.5 8.2 52.2 37.8 326 101 B D S < S+ 0 0 44 -3,-1.4 2,-0.2 2,-0.0 -2,-0.2 0.551 87.8 101.7 -85.9 -11.8 7.2 48.7 38.8 327 102 B L + 0 0 24 -4,-0.3 4,-0.1 1,-0.1 2,-0.0 -0.536 49.8 172.6 -72.3 134.6 10.4 47.8 37.0 328 103 B V - 0 0 54 -2,-0.2 3,-0.2 2,-0.1 -1,-0.1 0.162 52.1 -51.4-112.6-125.7 13.4 47.0 39.3 329 104 B N S S+ 0 0 102 1,-0.3 2,-0.3 -2,-0.0 -2,-0.1 0.700 123.3 29.3 -96.9 -21.6 16.9 45.6 38.6 330 105 B Y + 0 0 107 25,-0.0 27,-1.9 1,-0.0 28,-0.7 -0.920 60.5 152.7-148.2 106.9 16.2 42.4 36.6 331 106 B N > + 0 0 15 -2,-0.3 4,-2.2 25,-0.2 5,-0.2 -0.498 7.4 162.5-138.7 55.8 13.0 42.5 34.5 332 107 B P T 4 S+ 0 0 7 0, 0.0 -1,-0.1 0, 0.0 23,-0.0 0.836 82.9 14.2 -56.6 -39.8 13.8 40.1 31.7 333 108 B I T >4 S+ 0 0 19 2,-0.1 3,-1.6 14,-0.1 4,-0.3 0.831 124.3 58.7 -98.3 -47.8 10.2 39.5 30.5 334 109 B T G >4 S+ 0 0 0 1,-0.3 3,-1.2 2,-0.2 4,-0.2 0.785 97.9 60.1 -58.9 -36.1 8.4 42.3 32.3 335 110 B E G 3< S+ 0 0 92 -4,-2.2 3,-0.4 1,-0.2 -1,-0.3 0.712 100.3 58.4 -63.8 -20.7 10.5 45.1 30.7 336 111 B K G < S+ 0 0 57 -3,-1.6 -1,-0.2 -5,-0.2 -2,-0.2 0.618 110.4 41.5 -84.2 -7.4 9.2 43.8 27.3 337 112 B H <> + 0 0 28 -3,-1.2 4,-2.9 -4,-0.3 -1,-0.2 0.127 64.7 115.7-134.7 20.8 5.5 44.4 28.2 338 113 B V T 4 S+ 0 0 42 -3,-0.4 -16,-0.4 1,-0.2 -1,-0.1 0.820 83.2 53.6 -63.7 -30.5 4.9 47.6 30.1 339 114 B D T 4 S+ 0 0 152 1,-0.1 -1,-0.2 -3,-0.1 -2,-0.1 0.939 122.3 26.3 -70.4 -45.7 2.7 49.0 27.2 340 115 B T T 4 S- 0 0 66 1,-0.1 -2,-0.2 -19,-0.0 -1,-0.1 0.735 100.1-141.9 -85.1 -24.0 0.4 45.9 27.0 341 116 B G < - 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0 0 15 -4,-1.1 2,-0.6 -5,-0.6 -4,-0.2 0.904 39.2-174.5 60.0 45.6 13.2 34.9 38.3 356 131 B D > - 0 0 0 -6,-1.4 4,-1.6 -9,-0.2 -1,-0.2 -0.618 14.5-156.4 -75.5 116.5 11.9 38.2 37.0 357 132 B N H > S+ 0 0 11 -27,-1.9 4,-2.1 -2,-0.6 34,-0.2 0.902 89.6 51.8 -68.3 -41.4 11.9 40.5 40.0 358 133 B A H > S+ 0 0 0 -28,-0.7 4,-2.2 1,-0.2 -1,-0.2 0.862 107.1 55.4 -60.9 -38.2 9.2 43.0 38.7 359 134 B A H > S+ 0 0 0 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.887 108.0 49.3 -60.4 -39.1 6.9 40.0 38.1 360 135 B Q H X S+ 0 0 2 -4,-1.6 4,-2.9 2,-0.2 -2,-0.2 0.915 108.6 51.0 -72.2 -38.9 7.4 38.9 41.7 361 136 B N H X S+ 0 0 17 -4,-2.1 4,-3.0 1,-0.2 -2,-0.2 0.913 110.5 50.9 -64.6 -39.4 6.6 42.4 43.1 362 137 B L H X S+ 0 0 13 -4,-2.2 4,-1.4 2,-0.2 -1,-0.2 0.880 113.0 43.9 -60.3 -47.0 3.4 42.6 41.0 363 138 B I H X S+ 0 0 0 -4,-1.9 4,-1.4 2,-0.2 3,-0.2 0.925 113.3 52.2 -65.0 -46.2 2.2 39.1 42.3 364 139 B L H <>S+ 0 0 3 -4,-2.9 5,-3.0 1,-0.2 3,-0.5 0.914 108.1 50.9 -57.4 -45.9 3.2 40.1 45.8 365 140 B K H ><5S+ 0 0 130 -4,-3.0 3,-0.6 1,-0.2 -1,-0.2 0.834 108.2 54.4 -57.5 -36.5 1.1 43.3 45.5 366 141 B Q H 3<5S+ 0 0 70 -4,-1.4 -1,-0.2 -3,-0.2 -2,-0.2 0.747 108.2 48.3 -66.0 -30.0 -1.9 41.2 44.3 367 142 B I T 3<5S- 0 0 17 -4,-1.4 -1,-0.2 -3,-0.5 -2,-0.2 0.471 129.7 -91.2 -94.4 0.7 -1.7 38.9 47.3 368 143 B G T < 5 - 0 0 55 -3,-0.6 4,-0.4 -4,-0.4 -3,-0.2 0.468 66.9 -81.5 109.0 2.2 -1.5 41.8 49.8 369 144 B G >< - 0 0 7 -5,-3.0 4,-2.5 -6,-0.2 3,-0.3 -0.244 68.0 -50.7 89.4 178.7 2.3 42.3 50.2 370 145 B P H > S+ 0 0 13 0, 0.0 4,-2.7 0, 0.0 5,-0.2 0.831 132.5 55.8 -63.9 -33.4 4.9 40.4 52.3 371 146 B E H > S+ 0 0 127 1,-0.2 4,-1.6 2,-0.2 -2,-0.1 0.900 112.2 43.6 -68.6 -34.2 2.9 40.7 55.6 372 147 B S H > S+ 0 0 32 -4,-0.4 4,-2.2 -3,-0.3 -1,-0.2 0.872 110.5 54.3 -75.1 -36.8 0.0 39.1 53.9 373 148 B L H X S+ 0 0 2 -4,-2.5 4,-2.1 1,-0.2 -2,-0.2 0.910 109.4 50.9 -56.6 -42.2 2.3 36.5 52.2 374 149 B K H X S+ 0 0 27 -4,-2.7 4,-2.1 1,-0.2 -2,-0.2 0.881 106.8 52.7 -64.2 -38.1 3.6 35.7 55.7 375 150 B K H X S+ 0 0 131 -4,-1.6 4,-2.1 1,-0.2 -1,-0.2 0.919 108.9 50.5 -62.3 -39.1 0.0 35.3 57.1 376 151 B E H X S+ 0 0 15 -4,-2.2 4,-1.0 1,-0.2 -2,-0.2 0.890 109.2 50.0 -69.8 -37.3 -0.7 32.8 54.3 377 152 B L H <>S+ 0 0 0 -4,-2.1 5,-2.7 2,-0.2 3,-0.4 0.886 109.5 51.2 -65.0 -41.0 2.5 30.7 55.1 378 153 B R H ><5S+ 0 0 56 -4,-2.1 3,-1.5 1,-0.2 -2,-0.2 0.928 105.9 57.9 -61.4 -39.8 1.6 30.6 58.8 379 154 B K H 3<5S+ 0 0 129 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.764 105.4 47.7 -59.9 -31.2 -1.9 29.4 57.6 380 155 B I T 3<5S- 0 0 19 -4,-1.0 -1,-0.3 -3,-0.4 -2,-0.2 0.413 130.4 -95.7 -92.7 2.0 -0.3 26.4 55.8 381 156 B G T < 5S+ 0 0 56 -3,-1.5 2,-0.9 -4,-0.4 -3,-0.2 0.557 81.6 132.8 105.9 11.7 1.7 25.6 58.9 382 157 B D < + 0 0 8 -5,-2.7 -1,-0.2 1,-0.1 -2,-0.1 -0.838 17.0 164.8 -96.9 101.5 5.1 27.3 58.2 383 158 B E S S+ 0 0 131 -2,-0.9 -1,-0.1 1,-0.1 -5,-0.1 0.239 70.4 58.6 -93.7 12.9 6.2 29.4 61.3 384 159 B V S S+ 0 0 43 -7,-0.1 21,-0.2 23,-0.1 -1,-0.1 0.850 75.6 87.4-107.5 -49.4 9.8 29.8 60.1 385 160 B T - 0 0 0 1,-0.1 21,-0.2 22,-0.1 18,-0.1 -0.330 61.5-160.7 -54.0 125.5 9.8 31.5 56.7 386 161 B N - 0 0 24 19,-2.0 18,-3.0 16,-0.2 19,-0.3 -0.732 9.0-173.6-116.2 80.4 9.8 35.3 57.3 387 162 B P + 0 0 3 0, 0.0 -13,-0.1 0, 0.0 3,-0.1 -0.575 25.7 142.4 -70.2 130.2 8.7 37.5 54.4 388 163 B E + 0 0 77 -2,-0.3 2,-0.2 1,-0.3 -17,-0.2 0.519 54.8 38.1-133.1 -36.5 9.2 41.2 55.3 389 164 B R - 0 0 65 -19,-0.1 -1,-0.3 1,-0.1 5,-0.1 -0.724 68.5-115.2-125.3 165.5 10.4 43.1 52.2 390 165 B F > - 0 0 56 -2,-0.2 4,-0.9 1,-0.1 -1,-0.1 -0.283 54.8 -43.0 -85.7 179.2 9.9 43.3 48.3 391 166 B C T 4 S+ 0 0 2 1,-0.2 -1,-0.1 -34,-0.2 -30,-0.0 -0.618 112.8 11.8 -86.0 150.9 12.5 42.6 45.5 392 167 B P T >4 S+ 0 0 34 0, 0.0 3,-1.9 0, 0.0 -1,-0.2 -0.994 122.9 59.0 -76.4 -11.5 15.4 43.1 44.9 393 168 B E G >4 S+ 0 0 94 1,-0.3 3,-0.8 2,-0.2 -2,-0.2 0.425 82.2 79.0 -74.8 -3.1 16.0 44.2 48.5 394 169 B L G 3< S+ 0 0 3 -4,-0.9 -98,-0.4 1,-0.2 -1,-0.3 0.573 83.8 71.9 -67.5 -11.9 15.0 41.0 50.3 395 170 B N G < S+ 0 0 28 -3,-1.9 69,-1.9 1,-0.1 2,-1.4 0.774 76.1 86.4 -70.8 -30.6 18.5 39.8 49.2 396 171 B E < + 0 0 77 -3,-0.8 2,-0.4 67,-0.1 -1,-0.1 -0.628 52.3 145.9 -82.1 86.3 20.2 42.1 51.7 397 172 B V - 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