==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=5-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 08-OCT-01 1K4E . COMPND 2 MOLECULE: BETA-LACTAMASE PSE-2; . SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDOMONAS AERUGINOSA; . AUTHOR F.KERFF,E.FONZE,F.BOUILLENE,J.M.FRERE,P.CHARLIER . 491 2 2 2 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 20582.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 356 72.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 10 2.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 97 19.8 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 . 0 0.0 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-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 . 29 5.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 69 14.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 131 26.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 13 2.6 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 4 1 2 1 0 0 3 7 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 3 3 0 4 0 0 2 0 2 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 3 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 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 19 A X 0 0 96 0, 0.0 3,-0.1 0, 0.0 31,-0.0 0.000 360.0 360.0 360.0 166.9 6.1 3.1 16.7 2 20 A G - 0 0 51 1,-0.2 2,-0.3 29,-0.0 30,-0.2 0.442 360.0 -40.2 -72.7-139.9 6.2 -0.5 18.1 3 21 A S E -a 32 0A 71 28,-1.0 30,-2.4 2,-0.0 2,-0.4 -0.690 53.8-162.7 -93.6 144.8 8.7 -1.5 20.8 4 22 A I E -a 33 0A 48 -2,-0.3 2,-0.4 28,-0.2 30,-0.2 -0.994 0.7-161.6-129.9 132.6 12.3 -0.4 20.7 5 23 A T E -a 34 0A 94 28,-2.5 30,-1.9 -2,-0.4 2,-0.4 -0.946 17.3-129.7-117.7 132.0 15.2 -2.0 22.7 6 24 A E E -a 35 0A 95 -2,-0.4 2,-0.5 28,-0.2 30,-0.2 -0.648 19.4-171.6 -82.2 128.7 18.5 -0.4 23.4 7 25 A N > - 0 0 55 28,-3.6 3,-1.7 -2,-0.4 4,-0.3 -0.851 4.8-174.9-123.3 91.5 21.5 -2.5 22.5 8 26 A T G > S+ 0 0 92 -2,-0.5 3,-1.1 1,-0.3 -1,-0.1 0.631 76.3 74.2 -62.1 -16.5 24.7 -0.9 23.9 9 27 A S G > S+ 0 0 74 1,-0.3 3,-1.7 2,-0.2 -1,-0.3 0.761 83.0 69.4 -69.5 -23.5 27.0 -3.4 22.3 10 28 A W G X> S+ 0 0 15 -3,-1.7 3,-1.4 1,-0.3 4,-0.5 0.741 79.1 78.1 -64.7 -23.0 26.3 -1.8 18.9 11 29 A N H <> S+ 0 0 50 -3,-1.1 4,-3.0 1,-0.3 3,-0.3 0.633 71.9 85.9 -61.1 -12.5 28.3 1.2 20.2 12 30 A K H <> S+ 0 0 149 -3,-1.7 4,-2.0 1,-0.2 -1,-0.3 0.905 88.3 47.1 -54.4 -45.9 31.3 -1.0 19.3 13 31 A E H <> S+ 0 0 34 -3,-1.4 4,-0.6 -4,-0.2 -1,-0.2 0.776 114.1 48.4 -68.7 -27.5 31.3 0.2 15.7 14 32 A F H >X>S+ 0 0 4 -4,-0.5 5,-2.7 -3,-0.3 4,-0.6 0.901 109.3 50.9 -78.4 -45.1 30.9 3.9 16.9 15 33 A S H ><5S+ 0 0 90 -4,-3.0 3,-1.5 1,-0.2 -2,-0.2 0.931 102.8 59.8 -57.8 -48.6 33.7 3.8 19.4 16 34 A A H 3<5S+ 0 0 77 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.824 117.4 32.9 -49.7 -34.6 36.2 2.3 16.9 17 35 A E H <<5S- 0 0 78 -4,-0.6 -1,-0.3 -3,-0.6 -2,-0.2 0.406 108.1-123.2-103.2 -0.4 35.6 5.4 14.8 18 36 A A T <<5 + 0 0 86 -3,-1.5 2,-0.4 -4,-0.6 -3,-0.2 0.893 58.4 157.2 58.1 41.3 35.1 7.8 17.8 19 37 A V < - 0 0 18 -5,-2.7 2,-0.7 -6,-0.1 -1,-0.2 -0.812 41.3-147.4-103.9 138.3 31.7 8.7 16.3 20 38 A N + 0 0 116 -2,-0.4 202,-2.9 202,-0.3 2,-0.3 -0.907 53.8 107.3-100.7 111.0 28.7 10.1 18.1 21 39 A G E -B 221 0A 7 -2,-0.7 2,-0.3 200,-0.3 200,-0.2 -0.944 54.2-117.0-165.2-174.3 25.6 8.8 16.4 22 40 A V E -B 220 0A 0 198,-2.6 198,-1.9 -2,-0.3 2,-0.4 -0.985 9.6-163.0-142.5 150.6 22.6 6.5 16.4 23 41 A F E -B 219 0A 0 -2,-0.3 13,-1.0 196,-0.2 2,-0.4 -1.000 6.2-167.8-134.3 131.6 21.4 3.5 14.4 24 42 A V E -BC 218 35A 0 194,-2.4 194,-2.0 -2,-0.4 2,-0.4 -0.992 8.1-179.3-122.4 127.7 17.8 2.3 14.5 25 43 A L E -BC 217 34A 14 9,-2.5 9,-2.4 -2,-0.4 2,-0.4 -0.988 3.0-173.3-132.8 124.2 17.0 -1.1 12.9 26 44 A a E -BC 216 33A 11 190,-3.0 190,-2.5 -2,-0.4 2,-0.6 -0.954 15.7-149.0-121.5 136.3 13.5 -2.6 12.8 27 45 A K E >> -BC 215 32A 90 5,-1.9 5,-0.9 -2,-0.4 4,-0.8 -0.901 9.6-151.3-101.4 118.7 12.5 -6.1 11.6 28 46 A S T >45S+ 0 0 26 186,-2.7 2,-2.8 -2,-0.6 3,-1.0 0.890 88.2 72.9 -56.2 -41.8 9.0 -6.0 10.1 29 47 A S T 345S+ 0 0 65 185,-0.4 -1,-0.2 1,-0.2 -2,-0.0 -0.315 114.3 20.0 -73.5 59.5 8.4 -9.6 11.0 30 48 A S T 345S- 0 0 64 -2,-2.8 -1,-0.2 -3,-0.1 -2,-0.2 0.177 96.1-123.3 164.6 -15.5 8.1 -8.8 14.7 31 49 A K T <<5S+ 0 0 124 -3,-1.0 -28,-1.0 -4,-0.8 2,-0.3 0.748 71.2 129.8 57.8 24.8 7.3 -5.1 14.8 32 50 A S E < -aC 3 27A 44 -5,-0.9 -5,-1.9 -30,-0.2 2,-0.3 -0.846 40.1-164.4-113.3 148.2 10.3 -4.6 17.0 33 51 A a E -aC 4 26A 10 -30,-2.4 -28,-2.5 -2,-0.3 2,-0.3 -0.908 2.7-158.5-128.3 156.7 13.2 -2.2 16.7 34 52 A A E +aC 5 25A 25 -9,-2.4 -9,-2.5 -2,-0.3 2,-0.3 -0.917 11.4 176.6-131.3 156.4 16.7 -2.0 18.2 35 53 A T E -aC 6 24A 0 -30,-1.9 -28,-3.6 -2,-0.3 3,-0.3 -0.986 35.7-134.1-158.1 153.6 19.1 0.9 18.7 36 54 A N S S+ 0 0 3 -13,-1.0 2,-0.3 -2,-0.3 -25,-0.2 0.719 103.1 28.1 -81.6 -22.1 22.5 1.7 20.2 37 55 A D > - 0 0 54 -14,-0.4 4,-2.0 1,-0.1 -1,-0.3 -0.799 60.0-171.4-145.9 98.6 21.2 4.8 21.8 38 56 A L H > S+ 0 0 79 -2,-0.3 4,-1.0 -3,-0.3 -1,-0.1 0.895 89.7 53.0 -55.1 -44.0 17.5 5.2 22.8 39 57 A A H >4 S+ 0 0 80 1,-0.2 3,-0.6 2,-0.2 4,-0.3 0.929 113.3 40.5 -60.5 -48.6 17.9 8.9 23.6 40 58 A R H >4 S+ 0 0 23 1,-0.2 3,-0.7 2,-0.2 105,-0.5 0.764 103.6 69.7 -73.7 -21.7 19.5 9.9 20.3 41 59 A A H 3< S+ 0 0 0 -4,-2.0 105,-2.1 1,-0.3 106,-0.3 0.853 107.4 38.5 -61.5 -33.5 17.1 7.6 18.4 42 60 A S T << S+ 0 0 75 -4,-1.0 -1,-0.3 -3,-0.6 2,-0.2 0.424 93.1 107.9 -96.3 -2.3 14.3 10.1 19.3 43 61 A K < - 0 0 120 -3,-0.7 102,-0.6 -4,-0.3 2,-0.4 -0.562 66.5-130.2 -78.7 141.8 16.4 13.3 18.9 44 62 A E E +G 144 0B 80 -2,-0.2 2,-0.3 100,-0.2 100,-0.3 -0.755 28.5 174.4 -98.9 140.2 15.5 15.4 15.9 45 63 A Y E -G 143 0B 27 98,-2.3 98,-2.4 -2,-0.4 156,-0.0 -0.892 45.4 -76.7-135.4 163.0 18.0 16.7 13.3 46 64 A L - 0 0 28 -2,-0.3 96,-0.2 96,-0.2 145,-0.1 -0.386 40.6-141.5 -55.1 132.7 18.0 18.5 10.0 47 65 A P > - 0 0 0 0, 0.0 3,-1.9 0, 0.0 4,-0.2 0.740 28.5-175.8 -74.4 -19.3 17.0 15.9 7.5 48 66 A A G > - 0 0 0 88,-1.7 3,-1.7 1,-0.3 141,-0.1 -0.282 67.9 -13.8 55.2-142.3 19.4 17.3 4.8 49 67 A S G > S+ 0 0 12 1,-0.3 3,-1.8 2,-0.2 -1,-0.3 0.536 120.5 81.7 -70.3 -4.6 19.0 15.3 1.6 50 68 A T G X S+ 0 0 0 -3,-1.9 3,-1.4 1,-0.3 -1,-0.3 0.728 80.3 74.6 -68.4 -15.2 17.0 12.5 3.1 51 69 A F G <> S+ 0 0 0 -3,-1.7 4,-2.4 1,-0.3 -1,-0.3 0.595 71.7 81.6 -69.8 -11.4 14.2 15.1 2.6 52 70 A X H <> S+ 0 0 0 -3,-1.8 4,-2.2 1,-0.2 -1,-0.3 0.756 83.3 64.1 -66.9 -20.6 14.3 14.4 -1.1 53 71 A I H <> S+ 0 0 2 -3,-1.4 4,-1.9 -4,-0.2 -1,-0.2 0.987 110.9 31.7 -67.4 -58.3 12.1 11.3 -0.4 54 72 A P H > S+ 0 0 0 0, 0.0 4,-2.8 0, 0.0 5,-0.2 0.910 118.7 56.6 -67.3 -34.8 9.1 13.3 0.9 55 73 A N H X S+ 0 0 0 -4,-2.4 4,-2.4 1,-0.2 -2,-0.2 0.898 106.9 49.4 -60.1 -41.5 9.9 16.2 -1.5 56 74 A A H X S+ 0 0 0 -4,-2.2 4,-2.4 2,-0.2 -1,-0.2 0.938 112.1 47.4 -63.3 -47.2 9.7 13.8 -4.5 57 75 A I H X S+ 0 0 0 -4,-1.9 4,-3.0 1,-0.2 -2,-0.2 0.925 113.9 47.4 -60.1 -46.2 6.4 12.4 -3.4 58 76 A I H X S+ 0 0 0 -4,-2.8 4,-2.7 2,-0.2 6,-0.3 0.876 109.2 54.4 -63.3 -39.3 4.9 15.8 -2.8 59 77 A G H X>S+ 0 0 0 -4,-2.4 6,-2.2 -5,-0.2 5,-0.9 0.935 113.6 42.1 -60.5 -45.2 6.2 17.0 -6.1 60 78 A L H ><5S+ 0 0 11 -4,-2.4 3,-0.7 4,-0.2 -2,-0.2 0.932 114.1 50.9 -66.0 -46.7 4.4 14.2 -7.8 61 79 A E H 3<5S+ 0 0 59 -4,-3.0 -2,-0.2 1,-0.2 -1,-0.2 0.892 112.9 45.0 -60.2 -41.9 1.3 14.5 -5.8 62 80 A T H 3<5S- 0 0 24 -4,-2.7 -1,-0.2 -5,-0.2 -2,-0.2 0.578 112.5-117.8 -80.1 -9.2 0.9 18.3 -6.5 63 81 A G T <<5S+ 0 0 44 -3,-0.7 -3,-0.2 -4,-0.6 -4,-0.1 0.404 83.4 120.3 88.4 -4.5 1.7 17.8 -10.2 64 82 A V S S- 0 0 62 -3,-0.1 3,-1.8 99,-0.0 -1,-0.1 -0.958 71.4 -71.0-174.4 178.5 5.2 12.1 -14.0 68 86 A E T 3 S+ 0 0 28 -2,-0.3 22,-0.5 1,-0.3 23,-0.3 0.685 124.3 56.0 -60.5 -21.1 7.9 9.5 -13.4 69 87 A H T 3 S+ 0 0 55 20,-0.1 -1,-0.3 21,-0.1 -3,-0.0 0.355 73.6 132.0 -94.9 5.2 9.5 10.3 -16.8 70 88 A Q < - 0 0 46 -3,-1.8 20,-0.5 1,-0.1 2,-0.5 -0.317 47.4-145.7 -60.2 136.7 10.0 14.1 -16.3 71 89 A V E -H 89 0C 47 18,-0.1 2,-1.0 19,-0.1 18,-0.2 -0.916 3.8-143.6-107.1 128.0 13.5 15.2 -17.2 72 90 A F E -H 88 0C 23 16,-3.4 16,-2.1 -2,-0.5 2,-0.2 -0.805 22.5-147.5 -94.5 101.7 15.0 18.0 -15.2 73 91 A K - 0 0 139 -2,-1.0 2,-0.5 14,-0.2 14,-0.1 -0.440 8.4-127.8 -72.8 137.2 17.0 20.1 -17.6 74 92 A W - 0 0 81 -2,-0.2 13,-0.1 1,-0.1 -1,-0.1 -0.744 10.4-148.2 -84.5 127.2 20.2 21.9 -16.6 75 93 A D - 0 0 106 -2,-0.5 -1,-0.1 2,-0.1 10,-0.1 0.461 42.2-109.9 -75.3 -0.4 20.0 25.5 -17.6 76 94 A G S S+ 0 0 42 1,-0.3 -1,-0.1 10,-0.0 3,-0.1 0.287 77.0 131.1 90.8 -12.8 23.7 25.6 -18.1 77 95 A K S S- 0 0 133 1,-0.1 -1,-0.3 0, 0.0 -2,-0.1 -0.453 70.8 -87.4 -74.8 147.3 24.4 27.8 -15.1 78 96 A P - 0 0 118 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.250 46.8-160.5 -56.0 136.7 27.1 26.8 -12.6 79 97 A R - 0 0 50 2,-0.1 6,-0.1 -3,-0.1 5,-0.1 -0.863 32.3-103.3-119.3 155.6 25.9 24.4 -9.9 80 98 A A S S+ 0 0 93 -2,-0.3 2,-0.3 4,-0.1 3,-0.1 0.671 105.9 29.9 -50.8 -24.9 27.4 23.6 -6.5 81 99 A X S > S- 0 0 91 1,-0.1 3,-1.5 0, 0.0 4,-0.3 -0.995 73.8-131.3-139.1 145.3 28.7 20.2 -7.7 82 100 A K G > S+ 0 0 174 -2,-0.3 3,-1.7 1,-0.3 -1,-0.1 0.836 104.6 66.1 -63.2 -34.8 29.8 19.0 -11.1 83 101 A Q G 3 S+ 0 0 85 1,-0.3 -1,-0.3 13,-0.1 15,-0.1 0.622 100.5 52.8 -63.7 -10.9 27.6 15.9 -10.9 84 102 A W G < S+ 0 0 22 -3,-1.5 2,-2.0 1,-0.1 -1,-0.3 0.536 80.9 95.0 -99.6 -9.1 24.6 18.2 -11.0 85 103 A E S < S+ 0 0 53 -3,-1.7 2,-0.3 -4,-0.3 -1,-0.1 -0.487 77.8 63.7 -85.4 72.2 25.6 20.0 -14.1 86 104 A R S S- 0 0 90 -2,-2.0 2,-0.2 -14,-0.1 -11,-0.1 -0.948 95.8 -75.8-177.2 163.1 23.6 17.8 -16.5 87 105 A D - 0 0 60 -2,-0.3 2,-0.3 -13,-0.1 -14,-0.2 -0.513 54.1-166.2 -71.0 143.1 20.0 16.8 -17.4 88 106 A L E -H 72 0C 1 -16,-2.1 -16,-3.4 -2,-0.2 2,-0.1 -0.970 19.0-134.1-136.5 150.0 18.7 14.4 -14.8 89 107 A T E > -H 71 0C 34 -2,-0.3 4,-3.0 -18,-0.2 5,-0.2 -0.404 43.5 -97.9 -88.2 173.9 15.7 12.0 -14.4 90 108 A L H > S+ 0 0 4 -20,-0.5 4,-1.8 -22,-0.5 5,-0.2 0.935 129.2 44.2 -59.3 -44.7 13.8 11.9 -11.2 91 109 A R H > S+ 0 0 21 -23,-0.3 4,-3.2 2,-0.2 -1,-0.2 0.913 113.0 52.5 -65.7 -41.5 15.8 8.9 -10.0 92 110 A G H > S+ 0 0 1 1,-0.2 4,-2.4 2,-0.2 -2,-0.2 0.937 108.8 48.4 -59.3 -48.4 19.0 10.5 -11.2 93 111 A A H <>S+ 0 0 0 -4,-3.0 5,-3.2 1,-0.2 -1,-0.2 0.876 116.1 44.4 -60.4 -40.0 18.4 13.7 -9.3 94 112 A I H ><5S+ 0 0 1 -4,-1.8 3,-1.0 -5,-0.2 -2,-0.2 0.933 113.2 50.5 -69.2 -47.8 17.6 11.7 -6.2 95 113 A Q H 3<5S+ 0 0 31 -4,-3.2 -2,-0.2 332,-0.3 -1,-0.2 0.824 118.1 37.0 -62.5 -36.5 20.6 9.3 -6.6 96 114 A V T 3<5S- 0 0 10 -4,-2.4 -1,-0.3 -5,-0.2 3,-0.2 0.341 110.3-122.6 -97.5 7.8 23.2 12.1 -7.1 97 115 A S T < 5 - 0 0 20 -3,-1.0 2,-1.8 1,-0.2 -3,-0.2 0.946 32.7-167.3 51.9 56.0 21.4 14.3 -4.5 98 116 A A >>< - 0 0 0 -5,-3.2 4,-1.4 1,-0.2 3,-1.1 -0.536 6.4-175.0 -78.9 82.7 20.9 17.2 -6.9 99 117 A V H 3> S+ 0 0 21 -2,-1.8 4,-2.3 1,-0.2 3,-0.3 0.871 77.0 56.2 -43.6 -54.3 19.9 19.9 -4.5 100 118 A P H 3> S+ 0 0 26 0, 0.0 4,-1.8 0, 0.0 -1,-0.2 0.846 104.2 54.6 -54.3 -33.9 19.1 22.6 -7.1 101 119 A V H <> S+ 0 0 6 -3,-1.1 4,-1.5 1,-0.2 -2,-0.2 0.938 113.8 40.6 -64.6 -45.7 16.6 20.3 -8.9 102 120 A F H X S+ 0 0 0 -4,-1.4 4,-2.5 -3,-0.3 -1,-0.2 0.733 107.8 61.2 -76.9 -21.6 14.7 19.8 -5.6 103 121 A Q H X S+ 0 0 43 -4,-2.3 4,-2.2 -5,-0.2 -1,-0.2 0.918 107.6 45.8 -68.4 -39.5 15.0 23.4 -4.6 104 122 A Q H X S+ 0 0 86 -4,-1.8 4,-2.0 -5,-0.2 -2,-0.2 0.884 111.5 52.1 -68.7 -37.6 13.1 24.3 -7.7 105 123 A I H X S+ 0 0 4 -4,-1.5 4,-2.4 1,-0.2 -2,-0.2 0.931 109.9 49.5 -62.0 -44.2 10.6 21.6 -7.0 106 124 A A H X S+ 0 0 0 -4,-2.5 4,-2.6 1,-0.2 -2,-0.2 0.902 108.2 53.0 -62.4 -42.2 10.1 23.0 -3.5 107 125 A R H < S+ 0 0 100 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.919 112.3 45.3 -59.3 -43.6 9.6 26.5 -4.8 108 126 A E H < S+ 0 0 94 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.862 109.7 53.6 -68.7 -38.8 6.9 25.3 -7.2 109 127 A V H < S- 0 0 3 -4,-2.4 4,-0.5 -5,-0.2 -2,-0.2 0.964 103.4-157.4 -59.7 -49.5 5.2 23.2 -4.5 110 128 A G X - 0 0 14 -4,-2.6 4,-2.3 -5,-0.2 5,-0.2 0.028 26.9 -75.8 90.6 160.0 5.1 26.3 -2.4 111 129 A E H > S+ 0 0 113 2,-0.2 4,-2.8 1,-0.2 5,-0.2 0.920 124.9 50.2 -59.6 -49.8 4.8 26.9 1.4 112 130 A V H > S+ 0 0 124 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.953 115.9 40.1 -56.7 -54.5 1.1 26.1 1.7 113 131 A R H > S+ 0 0 99 -4,-0.5 4,-2.1 1,-0.2 -1,-0.2 0.893 114.4 54.0 -65.2 -37.1 1.2 22.8 -0.1 114 132 A X H X S+ 0 0 0 -4,-2.3 4,-2.0 1,-0.2 5,-0.2 0.947 110.2 46.9 -61.5 -46.6 4.5 21.8 1.5 115 133 A Q H X S+ 0 0 74 -4,-2.8 4,-1.9 1,-0.2 -1,-0.2 0.915 108.7 56.0 -60.5 -44.7 3.1 22.4 5.0 116 134 A K H X S+ 0 0 109 -4,-2.2 4,-1.9 -5,-0.2 -1,-0.2 0.924 111.2 42.8 -53.4 -50.0 -0.1 20.4 4.1 117 135 A Y H X S+ 0 0 22 -4,-2.1 4,-2.4 2,-0.2 -1,-0.2 0.830 109.3 54.3 -71.5 -32.9 1.9 17.3 3.1 118 136 A L H X>S+ 0 0 0 -4,-2.0 5,-2.3 2,-0.2 4,-0.6 0.852 109.8 50.3 -70.2 -29.2 4.4 17.3 5.9 119 137 A K H ><5S+ 0 0 133 -4,-1.9 3,-0.9 -5,-0.2 -2,-0.2 0.931 111.4 47.7 -69.7 -44.5 1.4 17.4 8.3 120 138 A K H 3<5S+ 0 0 82 -4,-1.9 -2,-0.2 1,-0.2 -1,-0.2 0.872 114.6 46.9 -62.5 -36.2 -0.1 14.5 6.5 121 139 A F H 3<5S- 0 0 9 -4,-2.4 -1,-0.2 -5,-0.1 -2,-0.2 0.535 102.4-131.5 -83.6 -6.3 3.2 12.6 6.6 122 140 A S T <<5 - 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