==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=28-AUG-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 17-OCT-01 1K6R . COMPND 2 MOLECULE: BETA-LACTAMASE PSE-2; . SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDOMONAS AERUGINOSA; . AUTHOR F.KERFF,E.FONZE,E.SAUVAGE,J.M.FRERE,P.CHARLIER . 474 3 2 2 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 19381.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 339 71.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 10 2.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 88 18.6 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 1.3 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 . 22 4.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 60 12.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 132 27.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 13 2.7 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 3 1 3 0 0 0 5 3 3 1 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 . 4 1 3 1 0 0 2 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 1 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 M 0 0 67 0, 0.0 2,-0.9 0, 0.0 32,-0.0 0.000 360.0 360.0 360.0 3.6 21.2 -0.0 48.4 2 20 A G - 0 0 78 30,-0.1 2,-0.3 2,-0.0 29,-0.1 -0.755 360.0 -6.0 106.1 -84.8 22.2 -2.8 46.2 3 21 A S E -a 32 0A 67 28,-0.9 30,-1.2 -2,-0.9 2,-0.4 -0.997 48.2-167.2-149.9 151.3 18.9 -4.1 44.8 4 22 A I E -a 33 0A 42 -2,-0.3 2,-0.3 28,-0.2 30,-0.2 -0.963 14.0-159.2-141.8 120.8 15.2 -3.7 45.1 5 23 A T E -a 34 0A 89 28,-2.9 30,-2.2 -2,-0.4 2,-0.2 -0.756 17.5-120.6-104.0 147.6 12.6 -6.1 43.7 6 24 A E E -a 35 0A 99 -2,-0.3 2,-0.3 28,-0.2 30,-0.2 -0.510 16.6-163.4 -82.2 151.3 8.9 -5.6 42.9 7 25 A N > - 0 0 48 28,-2.7 3,-0.8 -2,-0.2 4,-0.4 -0.790 4.0-173.6-137.9 88.4 6.2 -7.7 44.6 8 26 A T G > S+ 0 0 94 -2,-0.3 3,-0.9 1,-0.2 4,-0.3 0.668 74.0 75.0 -57.7 -20.9 3.0 -7.4 42.6 9 27 A S G > S+ 0 0 69 1,-0.2 3,-1.7 2,-0.2 4,-0.3 0.934 86.6 59.3 -60.5 -48.0 1.0 -9.4 45.2 10 28 A W G X> S+ 0 0 10 -3,-0.8 3,-1.3 1,-0.3 4,-0.6 0.698 83.9 84.9 -54.9 -22.2 0.9 -6.6 47.8 11 29 A N H X> S+ 0 0 52 -3,-0.9 4,-2.4 -4,-0.4 3,-1.1 0.792 75.2 68.8 -52.5 -33.2 -0.9 -4.3 45.3 12 30 A K H <> S+ 0 0 125 -3,-1.7 4,-2.8 -4,-0.3 -1,-0.3 0.891 93.8 56.9 -54.8 -40.9 -4.3 -5.8 46.2 13 31 A E H <> S+ 0 0 33 -3,-1.3 4,-0.7 -4,-0.3 -1,-0.3 0.782 110.4 45.4 -61.7 -28.0 -4.1 -4.2 49.7 14 32 A F H <<>S+ 0 0 9 -3,-1.1 5,-2.9 -4,-0.6 4,-0.4 0.881 112.6 48.1 -82.3 -43.2 -3.7 -0.8 47.9 15 33 A S H ><5S+ 0 0 91 -4,-2.4 3,-1.4 3,-0.2 -2,-0.2 0.924 104.1 61.5 -63.4 -45.2 -6.5 -1.3 45.4 16 34 A A H 3<5S+ 0 0 70 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.870 116.3 31.6 -48.9 -42.5 -8.9 -2.5 48.0 17 35 A E T 3<5S- 0 0 101 -4,-0.7 -1,-0.3 -5,-0.2 -2,-0.2 0.397 108.8-124.2 -97.3 1.6 -8.6 0.9 49.8 18 36 A A T < 5 + 0 0 89 -3,-1.4 2,-0.4 -4,-0.4 -3,-0.2 0.902 57.9 156.8 56.1 43.9 -8.0 2.8 46.5 19 37 A V < - 0 0 18 -5,-2.9 2,-0.7 -6,-0.1 -1,-0.2 -0.835 41.2-146.9-108.0 138.2 -4.8 4.1 47.9 20 38 A N + 0 0 120 -2,-0.4 202,-2.5 202,-0.2 2,-0.3 -0.896 54.1 100.0-100.2 113.8 -1.7 5.4 46.0 21 39 A G E -B 221 0A 7 -2,-0.7 2,-0.3 200,-0.3 200,-0.3 -0.943 55.6-109.4-169.5-169.8 1.4 4.6 48.0 22 40 A V E -B 220 0A 0 198,-2.9 198,-1.8 -2,-0.3 2,-0.4 -0.975 9.0-161.4-143.5 156.4 4.4 2.3 48.6 23 41 A F E -B 219 0A 0 -2,-0.3 13,-0.8 196,-0.2 2,-0.5 -0.995 7.3-168.3-139.4 128.6 5.8 -0.3 51.0 24 42 A V E -BC 218 35A 0 194,-2.5 194,-1.8 -2,-0.4 2,-0.4 -0.983 8.4-179.0-120.4 127.9 9.4 -1.3 51.2 25 43 A L E -BC 217 34A 14 9,-2.5 9,-2.9 -2,-0.5 2,-0.4 -0.992 4.3-173.6-130.3 135.2 10.4 -4.4 53.2 26 44 A a E -BC 216 33A 0 190,-2.5 190,-2.5 -2,-0.4 2,-0.4 -0.982 12.7-148.1-134.5 125.5 13.9 -5.8 53.7 27 45 A K E S-B 215 0A 99 5,-0.9 2,-2.8 -2,-0.4 5,-0.4 -0.733 79.2 -16.0 -92.5 135.6 14.8 -9.1 55.5 28 46 A S S S- 0 0 61 186,-2.3 2,-0.3 -2,-0.4 -1,-0.1 -0.126 133.3 -11.2 69.4 -46.0 18.1 -9.3 57.4 29 47 A S S > S- 0 0 31 -2,-2.8 3,-0.6 3,-0.3 187,-0.1 -0.955 77.9 -86.6-166.1-179.1 19.4 -6.1 55.7 30 48 A S T 3 S+ 0 0 17 -2,-0.3 -27,-0.4 1,-0.2 3,-0.3 0.283 100.0 94.3 -85.2 9.7 18.8 -3.6 52.9 31 49 A K T 3 S+ 0 0 158 1,-0.3 -28,-0.9 -4,-0.2 2,-0.5 0.922 97.1 24.4 -66.0 -43.8 20.8 -5.8 50.5 32 50 A S E < S+a 3 0A 72 -3,-0.6 -5,-0.9 -5,-0.4 2,-0.3 -0.920 77.6 165.8-128.7 106.4 17.5 -7.4 49.3 33 51 A a E -aC 4 26A 6 -30,-1.2 -28,-2.9 -2,-0.5 2,-0.3 -0.871 20.1-150.4-118.6 153.4 14.3 -5.4 49.6 34 52 A A E +aC 5 25A 24 -9,-2.9 -9,-2.5 -2,-0.3 2,-0.3 -0.880 19.3 170.5-119.5 153.1 10.9 -6.0 48.1 35 53 A T E -aC 6 24A 0 -30,-2.2 -28,-2.7 -2,-0.3 -11,-0.2 -0.966 41.2-128.2-155.2 166.7 8.3 -3.4 47.2 36 54 A N S S+ 0 0 8 -13,-0.8 2,-0.3 -2,-0.3 -30,-0.1 0.468 102.2 31.1 -96.8 -5.7 5.0 -2.9 45.3 37 55 A D > - 0 0 57 -14,-0.3 4,-1.9 -32,-0.1 -1,-0.3 -0.793 58.7-166.9-156.9 107.1 6.4 0.0 43.3 38 56 A L H > S+ 0 0 82 -2,-0.3 4,-0.7 2,-0.2 -1,-0.1 0.891 92.6 48.4 -62.0 -40.3 10.0 0.4 42.2 39 57 A A H >4 S+ 0 0 79 1,-0.2 3,-1.0 2,-0.2 4,-0.2 0.965 114.4 41.7 -66.1 -54.9 9.5 4.1 41.2 40 58 A R H >4 S+ 0 0 23 1,-0.2 3,-1.5 2,-0.2 105,-0.4 0.808 100.8 73.3 -64.8 -29.2 7.7 5.3 44.3 41 59 A A H 3< S+ 0 0 0 -4,-1.9 105,-2.1 1,-0.3 104,-0.5 0.836 108.1 33.4 -54.0 -35.8 10.0 3.4 46.6 42 60 A S T << S+ 0 0 69 -3,-1.0 -1,-0.3 -4,-0.7 2,-0.2 0.297 91.5 115.9-104.5 7.7 12.8 5.9 45.8 43 61 A K < - 0 0 115 -3,-1.5 102,-0.5 -4,-0.2 2,-0.4 -0.585 65.3-125.7 -77.0 140.5 10.6 9.0 45.4 44 62 A E + 0 0 87 -2,-0.2 2,-0.3 100,-0.2 100,-0.3 -0.764 30.9 176.3 -97.2 131.0 11.3 11.6 48.1 45 63 A Y B -G 143 0B 24 98,-2.6 98,-2.5 -2,-0.4 3,-0.0 -0.870 43.8 -84.1-126.6 159.1 8.6 13.0 50.4 46 64 A L - 0 0 18 -2,-0.3 96,-0.2 96,-0.2 145,-0.1 -0.418 37.7-144.5 -58.8 128.6 8.6 15.5 53.4 47 65 A P > + 0 0 0 0, 0.0 3,-1.9 0, 0.0 -1,-0.2 0.798 29.8 174.7 -69.8 -27.4 9.5 13.3 56.4 48 66 A A G > S- 0 0 3 88,-1.0 3,-2.5 1,-0.3 4,-0.2 -0.260 70.8 -2.3 53.4-140.2 7.2 15.2 58.8 49 67 A S G > S+ 0 0 21 1,-0.3 3,-2.2 141,-0.2 -1,-0.3 0.701 123.4 73.7 -53.0 -24.2 7.1 13.5 62.2 50 68 A T G X S+ 0 0 0 -3,-1.9 3,-1.4 1,-0.3 -1,-0.3 0.761 83.9 69.9 -65.2 -17.6 9.4 10.7 61.1 51 69 A F G <> S+ 0 0 0 -3,-2.5 4,-2.4 1,-0.3 -1,-0.3 0.650 76.5 82.8 -71.0 -12.6 12.2 13.3 61.2 52 70 A K H <> S+ 0 0 0 -3,-2.2 4,-2.0 -4,-0.2 -1,-0.3 0.773 82.5 62.8 -62.5 -24.4 11.8 13.1 65.0 53 71 A I H <> S+ 0 0 2 -3,-1.4 4,-1.8 -4,-0.2 3,-0.3 0.993 110.3 33.8 -64.9 -61.8 14.1 10.0 65.0 54 72 A P H > S+ 0 0 0 0, 0.0 4,-2.7 0, 0.0 5,-0.3 0.872 115.9 59.4 -61.9 -33.9 17.2 11.8 63.6 55 73 A N H X S+ 0 0 1 -4,-2.4 4,-2.1 1,-0.2 -2,-0.2 0.910 106.6 47.2 -59.3 -41.8 16.3 14.9 65.4 56 74 A A H X S+ 0 0 0 -4,-2.0 4,-1.9 -3,-0.3 -1,-0.2 0.897 111.8 49.4 -68.7 -39.4 16.4 13.0 68.7 57 75 A I H X S+ 0 0 0 -4,-1.8 4,-2.9 2,-0.2 -2,-0.2 0.947 112.8 46.8 -64.2 -48.0 19.8 11.4 67.9 58 76 A I H X S+ 0 0 0 -4,-2.7 4,-2.5 1,-0.2 6,-0.3 0.894 108.5 57.0 -60.8 -40.1 21.3 14.7 66.9 59 77 A G H <>S+ 0 0 0 -4,-2.1 6,-2.5 -5,-0.3 5,-0.9 0.915 112.8 39.9 -57.8 -44.4 19.9 16.3 70.1 60 78 A L H ><5S+ 0 0 8 -4,-1.9 3,-1.0 4,-0.2 -2,-0.2 0.909 113.5 53.7 -71.3 -45.2 21.7 13.7 72.3 61 79 A E H 3<5S+ 0 0 55 -4,-2.9 -2,-0.2 1,-0.3 -1,-0.2 0.879 111.2 46.1 -56.8 -41.8 24.9 13.7 70.2 62 80 A T T 3<5S- 0 0 25 -4,-2.5 -1,-0.3 -5,-0.2 -2,-0.2 0.522 112.7-117.5 -79.6 -8.3 25.3 17.5 70.5 63 81 A G T < 5S+ 0 0 53 -3,-1.0 -3,-0.2 -4,-0.3 -4,-0.1 0.425 84.3 119.9 85.1 -4.4 24.5 17.4 74.3 64 82 A V S - 0 0 51 -3,-0.1 3,-2.1 102,-0.0 -1,-0.1 -0.960 69.4 -74.6-163.5 177.2 20.5 12.1 78.6 68 86 A E T 3 S+ 0 0 25 -2,-0.3 22,-0.5 1,-0.3 23,-0.3 0.640 124.7 52.8 -57.7 -17.8 17.7 9.6 78.2 69 87 A H T 3 S+ 0 0 56 20,-0.1 -1,-0.3 21,-0.1 2,-0.1 0.276 75.7 129.1-104.6 11.6 16.0 10.7 81.4 70 88 A Q < - 0 0 54 -3,-2.1 2,-0.5 1,-0.1 20,-0.4 -0.411 51.1-139.2 -67.4 140.3 15.8 14.4 80.6 71 89 A V - 0 0 53 18,-0.1 2,-1.0 -2,-0.1 18,-0.2 -0.877 3.3-140.7-104.7 131.5 12.3 15.9 81.1 72 90 A F B -H 88 0C 22 16,-3.9 16,-1.7 -2,-0.5 2,-0.2 -0.803 26.6-143.2 -93.4 100.9 11.0 18.4 78.6 73 91 A K - 0 0 147 -2,-1.0 2,-0.4 14,-0.2 14,-0.1 -0.428 3.9-132.9 -68.0 131.7 9.2 20.9 80.9 74 92 A W - 0 0 84 -2,-0.2 13,-0.1 1,-0.1 -1,-0.1 -0.730 9.0-150.5 -83.3 131.7 6.0 22.5 79.6 75 93 A D - 0 0 106 -2,-0.4 -1,-0.1 2,-0.1 10,-0.1 0.336 41.1-108.8 -85.5 7.6 6.1 26.3 80.2 76 94 A G S S+ 0 0 47 1,-0.3 3,-0.1 0, 0.0 -2,-0.1 0.235 78.6 131.6 86.0 -15.9 2.3 26.5 80.6 77 95 A K - 0 0 131 1,-0.1 -1,-0.3 0, 0.0 -2,-0.1 -0.418 69.5 -88.0 -72.2 145.6 2.0 28.3 77.3 78 96 A P - 0 0 118 0, 0.0 2,-0.4 0, 0.0 -1,-0.1 -0.195 45.1-161.0 -54.6 137.9 -0.6 27.1 74.8 79 97 A R - 0 0 42 -3,-0.1 6,-0.1 1,-0.1 5,-0.1 -0.963 30.3-111.4-127.6 144.1 0.5 24.3 72.4 80 98 A A S S+ 0 0 94 -2,-0.4 2,-0.4 4,-0.1 -1,-0.1 0.726 104.0 36.5 -40.6 -35.5 -1.0 23.2 69.1 81 99 A M S > S- 0 0 91 1,-0.1 3,-2.1 -3,-0.0 4,-0.4 -0.982 74.7-135.3-128.6 137.6 -2.2 19.9 70.7 82 100 A K G > S+ 0 0 179 -2,-0.4 3,-1.2 1,-0.3 -1,-0.1 0.797 104.1 63.5 -57.3 -31.4 -3.5 19.1 74.2 83 101 A Q G 3 S+ 0 0 92 1,-0.3 -1,-0.3 13,-0.1 15,-0.1 0.569 99.7 55.0 -72.7 -5.7 -1.3 16.1 74.5 84 102 A W G < S+ 0 0 10 -3,-2.1 2,-1.8 1,-0.1 -1,-0.3 0.528 81.9 94.0 -99.4 -9.6 1.7 18.3 74.3 85 103 A E S < S+ 0 0 50 -3,-1.2 2,-0.3 -4,-0.4 -1,-0.1 -0.510 79.7 54.2 -86.3 73.7 0.6 20.5 77.2 86 104 A R S S- 0 0 51 -2,-1.8 -11,-0.1 -14,-0.1 2,-0.1 -0.916 99.2 -66.9 175.7 165.6 2.5 18.7 79.9 87 105 A D - 0 0 47 -2,-0.3 2,-0.3 -13,-0.1 -14,-0.2 -0.397 54.5-165.8 -68.5 149.1 6.0 17.6 80.8 88 106 A L B -H 72 0C 3 -16,-1.7 -16,-3.9 353,-0.1 2,-0.2 -0.983 18.3-140.5-141.3 149.7 7.3 14.9 78.6 89 107 A T > - 0 0 32 -2,-0.3 4,-2.8 -18,-0.2 5,-0.2 -0.447 45.1 -95.7 -93.8 176.4 10.2 12.4 78.5 90 108 A L H > S+ 0 0 4 -22,-0.5 4,-2.3 -20,-0.4 5,-0.2 0.936 127.8 45.9 -61.9 -45.4 12.1 11.7 75.2 91 109 A R H > S+ 0 0 27 -23,-0.3 4,-2.8 1,-0.2 -1,-0.2 0.918 112.8 51.2 -63.2 -42.6 9.9 8.7 74.5 92 110 A G H > S+ 0 0 13 1,-0.2 4,-1.7 2,-0.2 -2,-0.2 0.929 109.8 49.0 -59.5 -45.5 6.8 10.6 75.4 93 111 A A H <>S+ 0 0 0 -4,-2.8 5,-2.3 1,-0.2 4,-0.3 0.892 113.3 47.6 -63.2 -39.9 7.7 13.4 73.1 94 112 A I H ><5S+ 0 0 0 -4,-2.3 3,-1.3 3,-0.2 -2,-0.2 0.947 108.3 53.5 -67.0 -47.9 8.4 11.0 70.2 95 113 A Q H 3<5S+ 0 0 43 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.845 119.5 33.0 -58.0 -37.1 5.2 9.0 70.6 96 114 A V T 3<5S- 0 0 13 -4,-1.7 -1,-0.3 -5,-0.2 3,-0.2 0.278 107.4-122.6-103.8 12.4 2.9 12.0 70.5 97 115 A S T < 5 - 0 0 16 -3,-1.3 2,-1.8 -4,-0.3 -3,-0.2 0.881 28.6-159.7 48.8 49.9 5.2 14.0 68.0 98 116 A A >>< - 0 0 0 -5,-2.3 4,-1.6 -6,-0.2 3,-1.3 -0.355 7.1-169.8 -62.3 83.5 5.5 17.0 70.4 99 117 A V H 3> S+ 0 0 23 -2,-1.8 4,-2.2 1,-0.3 5,-0.2 0.860 78.2 54.1 -43.3 -54.7 6.6 19.6 67.8 100 118 A P H 3> S+ 0 0 28 0, 0.0 4,-1.7 0, 0.0 -1,-0.3 0.807 106.0 53.7 -56.9 -29.9 7.6 22.4 70.2 101 119 A V H <> S+ 0 0 7 -3,-1.3 4,-1.6 1,-0.2 -2,-0.2 0.949 113.8 41.5 -69.0 -46.1 9.9 20.1 72.1 102 120 A F H X S+ 0 0 0 -4,-1.6 4,-1.9 1,-0.2 -1,-0.2 0.738 110.9 57.3 -74.0 -21.0 11.7 19.1 68.9 103 121 A Q H X S+ 0 0 41 -4,-2.2 4,-2.4 -5,-0.2 -1,-0.2 0.888 107.1 48.2 -73.8 -38.7 11.6 22.7 67.6 104 122 A Q H X S+ 0 0 84 -4,-1.7 4,-1.9 -5,-0.2 -2,-0.2 0.889 112.2 49.9 -67.0 -37.9 13.5 23.9 70.7 105 123 A I H X S+ 0 0 5 -4,-1.6 4,-2.3 2,-0.2 -2,-0.2 0.901 110.1 50.3 -65.7 -42.6 16.0 21.1 70.2 106 124 A A H X S+ 0 0 0 -4,-1.9 4,-3.0 2,-0.2 -2,-0.2 0.928 109.8 50.0 -62.5 -46.3 16.5 22.0 66.6 107 125 A R H < S+ 0 0 107 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.883 112.8 46.9 -60.0 -40.5 17.1 25.7 67.5 108 126 A E H < S+ 0 0 95 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.866 111.4 51.0 -71.3 -35.2 19.7 24.7 70.1 109 127 A V H < S- 0 0 3 -4,-2.3 4,-0.5 -5,-0.2 -2,-0.2 0.953 103.4-154.5 -65.2 -47.1 21.4 22.3 67.7 110 128 A G X - 0 0 21 -4,-3.0 4,-2.1 -5,-0.2 5,-0.2 0.058 25.7 -78.6 89.0 158.1 21.6 25.1 65.1 111 129 A E H > S+ 0 0 116 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.834 122.7 53.5 -63.4 -39.1 21.8 25.0 61.3 112 130 A V H > S+ 0 0 125 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.937 115.1 39.5 -65.9 -45.6 25.5 24.2 61.0 113 131 A R H > S+ 0 0 101 -4,-0.5 4,-2.4 2,-0.2 5,-0.2 0.868 114.4 53.7 -72.2 -35.3 25.3 21.1 63.2 114 132 A M H X S+ 0 0 1 -4,-2.1 4,-2.3 2,-0.2 5,-0.2 0.947 110.8 47.2 -63.5 -46.0 22.0 20.0 61.8 115 133 A Q H X S+ 0 0 68 -4,-2.4 4,-1.7 1,-0.2 -2,-0.2 0.945 110.4 53.2 -58.3 -49.4 23.4 20.1 58.3 116 134 A K H X S+ 0 0 87 -4,-2.1 4,-2.1 1,-0.2 -1,-0.2 0.911 111.3 44.4 -52.5 -51.0 26.5 18.2 59.4 117 135 A Y H X S+ 0 0 23 -4,-2.4 4,-2.6 1,-0.2 -1,-0.2 0.873 109.0 54.8 -66.8 -38.0 24.6 15.3 60.9 118 136 A L H <>S+ 0 0 0 -4,-2.3 5,-2.6 1,-0.2 4,-0.3 0.831 110.3 49.4 -65.4 -26.5 22.1 15.0 58.1 119 137 A K H ><5S+ 0 0 134 -4,-1.7 3,-0.9 -5,-0.2 -2,-0.2 0.911 111.0 47.8 -75.5 -42.9 25.1 14.6 55.8 120 138 A K H 3<5S+ 0 0 101 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.859 115.6 45.8 -64.8 -33.4 26.7 12.0 58.1 121 139 A F T 3<5S- 0 0 9 -4,-2.6 -1,-0.2 -5,-0.1 -2,-0.2 0.467 103.1-132.3 -86.6 -4.0 23.3 10.2 58.2 122 140 A S T < 5 - 0 0 73 -3,-0.9 2,-1.1 -4,-0.3 -3,-0.2 0.955 38.4-176.3 48.9 51.2 22.8 10.4 54.4 123 141 A Y > < - 0 0 0 -5,-2.6 3,-1.6 -6,-0.1 -1,-0.2 -0.699 40.8 -75.8 -88.7 98.7 19.3 11.6 55.3 124 142 A G T 3 S- 0 0 11 -2,-1.1 19,-0.3 1,-0.3 17,-0.1 -0.172 103.3 -20.3 53.6-137.5 17.3 12.1 52.1 125 143 A N T 3 S- 0 0 58 17,-2.8 -1,-0.3 2,-0.1 3,-0.1 0.560 80.2-136.0 -81.9 -5.2 18.1 15.3 50.2 126 144 A Q < + 0 0 49 -3,-1.6 2,-0.8 16,-0.4 -2,-0.1 0.718 50.7 151.0 59.3 23.8 19.7 16.8 53.3 127 145 A N + 0 0 45 13,-0.2 -1,-0.2 15,-0.2 -2,-0.1 -0.781 14.8 165.7 -91.0 109.4 17.9 20.1 52.5 128 146 A I + 0 0 15 -2,-0.8 3,-0.3 -3,-0.1 7,-0.2 0.246 30.1 129.8-107.7 13.8 17.2 22.0 55.8 129 147 A S + 0 0 48 1,-0.2 11,-0.8 6,-0.1 12,-0.2 -0.167 42.4 59.9 -68.0 160.6 16.4 25.4 54.4 130 148 A G S S- 0 0 49 9,-0.1 -1,-0.2 10,-0.1 8,-0.1 0.639 118.6 -25.3 98.5 16.0 13.3 27.3 55.3 131 149 A G >> - 0 0 29 -3,-0.3 3,-2.1 1,-0.1 4,-1.5 0.341 58.2-116.2 111.6 118.9 13.8 27.7 59.0 132 150 A I T 34 S+ 0 0 24 1,-0.3 4,-0.1 2,-0.2 -1,-0.1 0.723 114.0 46.1 -53.2 -27.2 15.8 25.7 61.5 133 151 A D T 34 S+ 0 0 36 1,-0.1 -1,-0.3 -27,-0.1 -2,-0.1 0.305 122.7 28.6-104.1 12.0 12.7 24.8 63.5 134 152 A K T X>>S+ 0 0 77 -3,-2.1 4,-2.5 -6,-0.2 3,-1.5 0.400 75.9 109.1-149.2 4.8 10.3 23.8 60.6 135 153 A F H 3X5S+ 0 0 0 -4,-1.5 6,-1.0 1,-0.3 4,-0.8 0.832 91.2 44.1 -56.6 -32.0 12.3 22.4 57.6 136 154 A W H 345S+ 0 0 0 2,-0.2 -88,-1.0 1,-0.1 -1,-0.3 0.538 115.4 49.4 -89.8 -6.7 11.0 18.9 58.3 137 155 A L H <45S- 0 0 46 -3,-1.5 -2,-0.2 -90,-0.1 -1,-0.1 0.764 141.2 -13.5 -99.3 -33.5 7.4 20.2 59.0 138 156 A E H <5S+ 0 0 140 -4,-2.5 -3,-0.2 -90,-0.1 -2,-0.2 0.238 110.4 99.2-154.1 10.6 6.9 22.4 55.9 139 157 A G S < - 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