==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=11-MAR-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 10-FEB-09 3G7N . COMPND 2 MOLECULE: LIPASE; . SOURCE 2 ORGANISM_SCIENTIFIC: PENICILLIUM EXPANSUM; . AUTHOR C.B.BIAN,C.YUAN,L.Q.CHEN,J.M.EDWARD,L.LIN,L.G.JIANG, . 511 3 4 3 1 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 20961.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 359 70.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 52 10.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 72 14.1 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 0.8 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 . 45 8.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 60 11.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 117 22.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 1.2 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 0 2 0 0 0 0 0 0 4 0 0 0 0 0 0 0 2 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 0 4 4 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 . 5 10 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 ANTIPARALLEL BRIDGES PER LADDER . 2 1 1 0 0 0 0 0 2 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 1 A A 0 0 32 0, 0.0 2,-0.3 0, 0.0 216,-0.2 0.000 360.0 360.0 360.0 158.5 26.0 -17.4 6.8 2 2 A T E -A 216 0A 82 214,-2.1 214,-2.7 2,-0.0 0, 0.0 -0.974 360.0 -87.2-140.0 146.9 24.0 -17.3 3.6 3 3 A A E +A 215 0A 88 -2,-0.3 212,-0.3 212,-0.2 210,-0.1 -0.288 45.1 167.1 -52.6 133.6 23.8 -14.8 0.7 4 4 A D > + 0 0 43 210,-2.7 3,-1.8 207,-0.2 4,-0.3 -0.397 9.2 159.1-149.4 62.8 21.3 -12.0 1.3 5 5 A A G > S+ 0 0 37 1,-0.3 3,-1.8 2,-0.2 210,-0.1 0.800 71.9 69.9 -54.8 -32.6 21.9 -9.3 -1.3 6 6 A A G 3 S+ 0 0 83 1,-0.3 4,-0.4 2,-0.2 -1,-0.3 0.726 91.8 59.5 -62.1 -22.9 18.4 -8.1 -0.6 7 7 A A G <> S+ 0 0 17 -3,-1.8 4,-1.5 1,-0.2 -1,-0.3 0.615 86.9 80.4 -74.0 -20.6 19.5 -6.8 2.9 8 8 A F H <> S+ 0 0 23 -3,-1.8 4,-3.2 -4,-0.3 5,-0.3 0.909 81.7 56.9 -64.7 -44.7 22.1 -4.5 1.4 9 9 A P H > S+ 0 0 62 0, 0.0 4,-2.2 0, 0.0 -1,-0.2 0.913 110.2 44.2 -59.1 -39.5 20.0 -1.5 0.4 10 10 A D H > S+ 0 0 99 -4,-0.4 4,-2.1 1,-0.2 -2,-0.2 0.863 116.1 47.1 -71.3 -34.4 18.6 -0.9 3.8 11 11 A L H X S+ 0 0 6 -4,-1.5 4,-2.1 2,-0.2 -1,-0.2 0.873 109.6 53.8 -75.5 -33.8 22.0 -1.4 5.5 12 12 A H H X S+ 0 0 59 -4,-3.2 4,-2.1 2,-0.2 -2,-0.2 0.926 110.0 48.1 -61.6 -44.1 23.6 0.9 3.0 13 13 A R H X S+ 0 0 32 -4,-2.2 4,-2.5 -5,-0.3 5,-0.2 0.921 109.0 53.6 -59.9 -45.0 21.0 3.5 3.9 14 14 A A H X S+ 0 0 1 -4,-2.1 4,-2.3 1,-0.2 -1,-0.2 0.880 108.5 50.1 -57.8 -40.1 21.7 2.9 7.6 15 15 A A H X S+ 0 0 0 -4,-2.1 4,-2.3 2,-0.2 -1,-0.2 0.885 108.9 51.5 -68.6 -37.1 25.4 3.5 7.0 16 16 A K H X S+ 0 0 66 -4,-2.1 4,-2.4 2,-0.2 -2,-0.2 0.925 111.6 46.8 -62.6 -44.7 24.7 6.8 5.1 17 17 A L H X S+ 0 0 0 -4,-2.5 4,-1.5 2,-0.2 -2,-0.2 0.900 111.4 51.6 -62.4 -42.1 22.5 8.0 8.0 18 18 A S H X S+ 0 0 0 -4,-2.3 4,-1.2 -5,-0.2 46,-0.2 0.902 109.6 49.8 -62.2 -40.4 25.2 7.0 10.5 19 19 A S H X S+ 0 0 0 -4,-2.3 4,-2.4 1,-0.2 3,-0.4 0.926 106.2 56.7 -62.5 -40.9 27.8 8.9 8.4 20 20 A A H X>S+ 0 0 0 -4,-2.4 4,-2.2 1,-0.3 5,-1.6 0.820 100.9 57.8 -58.3 -37.4 25.5 12.0 8.4 21 21 A A H <5S+ 0 0 7 -4,-1.5 -1,-0.3 2,-0.2 -2,-0.2 0.887 108.4 45.5 -63.4 -37.8 25.5 11.9 12.2 22 22 A Y H <5S+ 0 0 38 -4,-1.2 -2,-0.2 -3,-0.4 -1,-0.2 0.907 113.2 50.5 -68.6 -39.0 29.3 12.2 12.2 23 23 A T H <5S- 0 0 58 -4,-2.4 -2,-0.2 227,-0.2 -1,-0.2 0.867 104.4-132.0 -68.3 -29.5 29.1 15.0 9.6 24 24 A G T <5 - 0 0 28 -4,-2.2 -3,-0.2 -5,-0.2 -4,-0.1 0.821 27.8-151.9 74.1 42.7 26.5 16.9 11.6 25 25 A a < - 0 0 1 -5,-1.6 2,-0.4 225,-0.1 -1,-0.1 -0.069 7.2-126.2 -48.1 139.1 24.2 17.5 8.7 26 26 A I S S- 0 0 41 1,-0.1 2,-2.0 377,-0.0 -1,-0.1 -0.710 77.1 -15.1 -90.9 129.6 22.0 20.6 8.8 27 27 A G S S+ 0 0 31 404,-0.4 7,-2.2 -2,-0.4 2,-0.3 -0.153 129.2 20.4 82.8 -49.0 18.2 20.3 8.4 28 28 A K E -B 33 0A 61 -2,-2.0 2,-0.5 5,-0.3 5,-0.2 -0.990 53.0-148.5-153.1 152.5 18.2 16.7 6.9 29 29 A A E > S-B 32 0A 0 3,-2.8 3,-2.6 -2,-0.3 223,-0.2 -0.941 74.2 -63.0-125.3 103.8 20.2 13.6 6.7 30 30 A F T 3 S- 0 0 30 221,-2.7 -1,-0.1 -2,-0.5 221,-0.0 -0.310 123.1 -7.7 51.9-123.3 19.3 12.0 3.4 31 31 A D T 3 S+ 0 0 32 -3,-0.1 2,-0.6 21,-0.1 22,-0.4 0.524 117.7 95.1 -80.4 -5.8 15.5 11.2 3.5 32 32 A V E < -B 29 0A 1 -3,-2.6 -3,-2.8 20,-0.2 2,-0.6 -0.778 65.0-149.6 -92.3 118.5 15.3 12.1 7.3 33 33 A T E -BC 28 51A 54 18,-3.2 18,-1.9 -2,-0.6 2,-0.6 -0.766 22.3-134.1 -80.7 122.3 14.1 15.6 8.2 34 34 A I E + C 0 50A 3 -7,-2.2 16,-0.3 -2,-0.6 3,-0.1 -0.735 33.5 168.0 -89.4 118.4 15.9 16.3 11.5 35 35 A V E + 0 0 25 14,-2.0 2,-0.4 -2,-0.6 15,-0.2 0.666 66.7 26.9-101.6 -21.3 13.5 17.9 14.1 36 36 A K E - C 0 49A 66 13,-2.0 13,-2.6 395,-0.1 2,-0.6 -0.991 64.3-146.7-148.3 130.3 15.7 17.6 17.2 37 37 A R E - C 0 48A 54 393,-0.5 2,-0.4 -2,-0.4 11,-0.2 -0.914 18.5-148.5-104.5 117.7 19.4 17.6 17.8 38 38 A I E + C 0 47A 6 9,-2.1 9,-2.0 -2,-0.6 2,-0.4 -0.734 23.6 169.8 -88.5 126.5 20.5 15.5 20.7 39 39 A Y E + C 0 46A 121 -2,-0.4 2,-0.3 7,-0.2 7,-0.2 -0.994 20.9 174.4-146.3 125.4 23.6 16.5 22.6 40 40 A D E >> - C 0 45A 38 5,-2.4 5,-1.9 -2,-0.4 4,-0.7 -0.887 12.1-167.4-125.9 111.4 25.3 15.6 25.9 41 41 A L T 45S+ 0 0 119 -2,-0.3 3,-0.2 3,-0.2 -1,-0.1 0.903 83.4 49.7 -62.0 -47.5 28.7 17.3 26.4 42 42 A V T 45S+ 0 0 115 1,-0.3 -1,-0.2 2,-0.1 -2,-0.0 0.906 122.5 32.3 -69.4 -37.7 30.0 15.3 29.3 43 43 A T T 45S- 0 0 23 2,-0.1 -1,-0.3 56,-0.1 -2,-0.2 0.499 104.5-130.2 -93.7 1.7 29.4 11.9 27.7 44 44 A D T <5 + 0 0 56 -4,-0.7 2,-0.5 -3,-0.2 -3,-0.2 0.848 49.2 164.4 46.8 41.4 30.0 13.5 24.2 45 45 A T E < +C 40 0A 3 -5,-1.9 -5,-2.4 54,-0.1 2,-0.3 -0.742 7.3 169.5 -91.7 125.2 26.7 11.9 23.2 46 46 A N E +C 39 0A 30 -2,-0.5 17,-3.0 17,-0.4 2,-0.3 -0.982 7.7 125.1-134.6 149.0 25.3 13.3 19.9 47 47 A G E -CD 38 62A 6 -9,-2.0 -9,-2.1 -2,-0.3 2,-0.3 -0.972 40.0-107.4-177.5-165.1 22.5 12.3 17.6 48 48 A F E -CD 37 61A 9 13,-2.6 13,-3.0 -2,-0.3 2,-0.4 -0.989 10.7-159.8-139.7 148.8 19.4 13.3 15.7 49 49 A V E +CD 36 60A 0 -13,-2.6 -13,-2.0 -2,-0.3 -14,-2.0 -0.958 37.9 115.4-125.5 139.8 15.7 12.6 15.9 50 50 A G E -CD 34 59A 1 9,-2.1 9,-2.4 -2,-0.4 2,-0.3 -0.935 49.8 -91.7-172.1-159.7 13.4 13.2 13.0 51 51 A Y E -CD 33 58A 43 -18,-1.9 -18,-3.2 -2,-0.3 2,-0.5 -0.981 13.1-143.4-139.1 150.8 11.1 11.7 10.4 52 52 A S E >> - D 0 57A 0 5,-2.9 5,-1.5 -2,-0.3 4,-1.4 -0.947 5.7-171.2-116.2 113.8 11.2 10.4 6.9 53 53 A T T 45S+ 0 0 84 -2,-0.5 -1,-0.2 -22,-0.4 3,-0.1 0.917 91.2 55.0 -65.2 -35.5 8.2 11.1 4.7 54 54 A E T 45S+ 0 0 139 -23,-0.4 -1,-0.2 1,-0.2 -22,-0.1 0.899 120.7 27.3 -63.1 -48.4 9.7 8.7 2.1 55 55 A K T 45S- 0 0 86 -24,-0.2 -1,-0.2 2,-0.1 67,-0.2 0.527 100.4-127.5 -92.3 -10.8 10.0 5.8 4.5 56 56 A K T <5 + 0 0 110 -4,-1.4 66,-2.6 1,-0.2 2,-0.3 0.943 64.8 134.0 54.2 52.5 7.1 6.8 6.8 57 57 A T E < -De 52 122A 11 -5,-1.5 -5,-2.9 64,-0.3 2,-0.5 -0.912 58.3-141.0-127.8 155.6 9.4 6.4 9.8 58 58 A I E -De 51 123A 1 64,-2.6 66,-2.5 -2,-0.3 2,-0.4 -0.983 37.2-156.9-110.4 123.9 10.4 8.3 12.9 59 59 A A E -De 50 124A 0 -9,-2.4 -9,-2.1 -2,-0.5 2,-0.5 -0.885 24.9-164.5-118.3 139.2 14.2 7.9 13.3 60 60 A V E -De 49 125A 1 64,-2.1 66,-2.4 -2,-0.4 2,-0.6 -0.984 17.8-172.8-116.5 114.6 16.7 8.1 16.1 61 61 A I E -De 48 126A 0 -13,-3.0 -13,-2.6 -2,-0.5 2,-0.4 -0.951 4.7-161.8-118.3 115.0 20.2 8.4 14.7 62 62 A M E -De 47 127A 1 64,-2.7 66,-0.7 -2,-0.6 2,-0.3 -0.834 10.4-135.1-102.8 138.1 23.1 8.2 17.1 63 63 A R - 0 0 31 -17,-3.0 -17,-0.4 -2,-0.4 3,-0.1 -0.648 15.2-132.0 -82.7 147.4 26.7 9.4 16.5 64 64 A G - 0 0 1 -2,-0.3 -18,-0.1 -46,-0.2 65,-0.1 0.045 49.6 -61.1 -73.9-175.5 29.7 7.4 17.4 65 65 A S - 0 0 39 1,-0.1 -1,-0.2 2,-0.1 66,-0.1 -0.459 39.9-126.4 -66.6 153.4 32.7 8.9 19.3 66 66 A T S S+ 0 0 99 -22,-0.1 2,-0.3 1,-0.1 -1,-0.1 0.678 99.8 38.5 -79.2 -10.7 34.5 11.8 17.7 67 67 A T - 0 0 84 1,-0.0 -1,-0.1 2,-0.0 -2,-0.1 -0.999 56.0-175.9-134.4 145.1 37.7 9.7 18.2 68 68 A I 0 0 68 -2,-0.3 166,-0.1 -4,-0.1 -1,-0.0 0.037 360.0 360.0-115.8 16.1 38.3 5.9 17.9 69 69 A T 0 0 167 0, 0.0 165,-0.2 0, 0.0 -2,-0.0 0.923 360.0 360.0 -85.8 360.0 41.9 5.8 19.0 70 ! 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 71 74 A D 0 0 226 0, 0.0 3,-0.0 0, 0.0 2,-0.0 0.000 360.0 360.0 360.0 -38.0 38.9 4.1 28.0 72 75 A I - 0 0 63 1,-0.1 2,-0.7 2,-0.1 22,-0.1 -0.295 360.0-112.6 -66.2 138.6 35.2 3.0 27.9 73 76 A D + 0 0 62 1,-0.2 22,-2.6 20,-0.1 23,-0.2 -0.577 33.8 178.9 -79.3 110.9 33.8 1.9 31.2 74 77 A I + 0 0 65 -2,-0.7 2,-0.2 20,-0.2 -1,-0.2 0.386 34.6 128.8-101.3 17.6 33.1 -1.9 31.0 75 78 A A - 0 0 40 18,-0.1 19,-2.7 1,-0.1 2,-0.4 -0.415 60.5-126.7 -64.2 128.2 31.7 -2.2 34.6 76 79 A L E +J 93 0B 68 17,-0.2 2,-0.3 -2,-0.2 17,-0.2 -0.660 36.1 177.3 -80.3 132.2 28.4 -4.0 34.4 77 80 A I E -J 92 0B 32 15,-2.8 15,-2.2 -2,-0.4 20,-0.0 -0.809 38.7 -99.2-131.1 161.2 25.6 -2.2 36.2 78 81 A T - 0 0 97 -2,-0.3 13,-0.2 13,-0.2 2,-0.1 -0.791 48.1-137.8 -77.0 115.9 21.9 -2.5 36.8 79 82 A P - 0 0 7 0, 0.0 2,-0.3 0, 0.0 7,-0.2 -0.484 20.0-170.6 -80.4 158.1 20.2 -0.3 34.2 80 83 A E + 0 0 165 -2,-0.1 2,-0.3 17,-0.1 5,-0.1 -0.957 13.4 160.7-147.4 122.3 17.3 2.1 34.9 81 84 A L > - 0 0 13 3,-0.4 3,-2.1 -2,-0.3 5,-0.1 -0.995 44.1 -97.9-142.9 143.2 15.4 3.9 32.2 82 85 A S T 3 S+ 0 0 54 -2,-0.3 3,-0.1 1,-0.3 63,-0.1 -0.195 107.7 11.8 -62.3 135.9 12.0 5.5 32.1 83 86 A G T 3 S+ 0 0 47 1,-0.2 2,-0.4 61,-0.1 -1,-0.3 0.429 105.7 107.7 80.5 -1.3 9.3 3.4 30.5 84 87 A V < - 0 0 16 -3,-2.1 2,-0.7 61,-0.1 -3,-0.4 -0.931 52.5-161.2-111.4 131.7 11.5 0.3 30.6 85 88 A T - 0 0 112 -2,-0.4 -5,-0.1 -3,-0.1 -3,-0.0 -0.888 15.9-165.6-110.9 102.6 11.0 -2.6 32.9 86 89 A F - 0 0 31 -2,-0.7 80,-0.1 -7,-0.2 -2,-0.0 -0.710 23.7-114.2 -86.6 136.2 14.3 -4.6 33.1 87 90 A P > - 0 0 58 0, 0.0 3,-1.9 0, 0.0 -1,-0.1 -0.269 34.8-108.4 -59.8 153.8 14.4 -8.1 34.6 88 91 A S T 3 S+ 0 0 115 1,-0.3 -2,-0.1 -10,-0.1 77,-0.0 0.644 114.6 53.2 -58.8 -32.4 16.5 -8.2 37.8 89 92 A D T 3 S+ 0 0 96 76,-0.1 -1,-0.3 2,-0.0 76,-0.3 0.557 80.1 114.2 -85.8 -4.7 19.4 -10.1 36.2 90 93 A V < + 0 0 1 -3,-1.9 2,-0.4 75,-0.2 -4,-0.1 -0.430 41.1 178.9 -72.0 130.2 20.0 -7.7 33.3 91 94 A K - 0 0 70 -2,-0.2 72,-1.9 -13,-0.2 2,-0.3 -0.999 7.0-174.5-132.3 142.9 23.3 -5.9 33.4 92 95 A I E -JK 77 162B 0 -15,-2.2 -15,-2.8 -2,-0.4 70,-0.3 -0.936 36.2 -95.4-132.3 149.4 24.7 -3.4 30.9 93 96 A M E >> -J 76 0B 0 68,-3.0 4,-2.6 -2,-0.3 3,-1.7 -0.405 26.7-132.6 -66.6 141.1 28.1 -1.8 30.7 94 97 A R H 3> S+ 0 0 99 -19,-2.7 4,-2.8 1,-0.3 -20,-0.2 0.836 102.0 69.2 -62.0 -36.0 28.2 1.7 32.3 95 98 A G H 34 S+ 0 0 14 -22,-2.6 -1,-0.3 -20,-0.2 -21,-0.1 0.627 113.7 28.0 -62.3 -13.0 30.1 3.1 29.3 96 99 A V H <> S+ 0 0 0 -3,-1.7 4,-2.2 -23,-0.2 5,-0.2 0.688 119.6 53.2-110.7 -41.9 26.9 2.7 27.2 97 100 A H H X S+ 0 0 24 -4,-2.6 4,-2.9 1,-0.2 5,-0.2 0.899 106.5 55.5 -58.2 -41.8 24.2 3.0 29.9 98 101 A R H X S+ 0 0 136 -4,-2.8 4,-1.6 -5,-0.2 -1,-0.2 0.961 111.4 39.6 -60.7 -55.3 25.6 6.3 31.1 99 102 A P H > S+ 0 0 9 0, 0.0 4,-0.9 0, 0.0 -1,-0.2 0.925 118.0 49.5 -62.1 -41.1 25.5 8.1 27.7 100 103 A W H >X S+ 0 0 0 -4,-2.2 4,-1.9 1,-0.2 3,-1.2 0.949 108.9 51.8 -60.8 -46.0 22.2 6.6 26.7 101 104 A S H 3X S+ 0 0 49 -4,-2.9 4,-0.5 1,-0.3 -1,-0.2 0.842 103.0 60.9 -63.5 -26.3 20.5 7.5 30.1 102 105 A A H 3< S+ 0 0 46 -4,-1.6 -1,-0.3 -5,-0.2 -2,-0.2 0.808 119.4 25.3 -65.0 -33.9 21.7 11.1 29.6 103 106 A V H S+ 0 0 65 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.923 113.4 44.8 -60.6 -45.2 14.8 13.8 25.6 107 110 A I H X S+ 0 0 0 -4,-2.5 4,-2.9 2,-0.2 5,-0.2 0.944 113.1 49.0 -67.3 -48.7 14.7 11.2 22.8 108 111 A I H X S+ 0 0 15 -4,-2.9 4,-2.5 1,-0.2 -2,-0.2 0.914 111.0 51.9 -57.4 -42.1 11.5 9.5 24.1 109 112 A T H X S+ 0 0 97 -4,-2.5 4,-2.1 -5,-0.2 -1,-0.2 0.927 112.1 44.7 -61.0 -43.3 9.8 12.9 24.5 110 113 A E H X S+ 0 0 34 -4,-2.0 4,-2.4 2,-0.2 -2,-0.2 0.924 111.7 52.0 -71.4 -40.0 10.6 13.9 20.9 111 114 A V H X S+ 0 0 0 -4,-2.9 4,-2.6 2,-0.2 -1,-0.2 0.925 109.2 51.3 -60.5 -40.8 9.6 10.5 19.5 112 115 A K H X S+ 0 0 146 -4,-2.5 4,-1.9 -5,-0.2 -2,-0.2 0.930 109.6 49.9 -64.7 -37.4 6.3 10.8 21.3 113 116 A A H X S+ 0 0 56 -4,-2.1 4,-1.3 1,-0.2 -1,-0.2 0.901 111.7 48.1 -65.4 -40.3 5.7 14.2 19.9 114 117 A L H X S+ 0 0 11 -4,-2.4 4,-2.8 2,-0.2 -1,-0.2 0.877 106.5 56.9 -70.1 -35.7 6.5 12.9 16.4 115 118 A I H < S+ 0 0 26 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.912 104.5 53.5 -60.0 -38.2 4.1 10.0 16.8 116 119 A A H < S+ 0 0 82 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.868 115.8 38.9 -63.8 -36.1 1.3 12.4 17.6 117 120 A K H < S+ 0 0 137 -4,-1.3 -2,-0.2 1,-0.2 -1,-0.2 0.807 130.2 28.9 -82.8 -32.9 2.0 14.3 14.3 118 121 A Y S >< S+ 0 0 37 -4,-2.8 3,-1.8 -5,-0.1 -1,-0.2 -0.645 70.1 165.7-128.5 72.0 2.7 11.2 12.2 119 122 A P T 3 S+ 0 0 81 0, 0.0 -1,-0.1 0, 0.0 -4,-0.1 0.604 73.7 54.6 -79.4 -7.4 0.7 8.4 13.8 120 123 A D T 3 S+ 0 0 100 -3,-0.1 2,-0.1 2,-0.1 -5,-0.1 0.423 86.5 104.8 -96.2 -4.5 1.0 6.0 10.9 121 124 A Y < - 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