==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE/HYDROLASE INHIBITOR 22-OCT-91 1PSA . COMPND 2 MOLECULE: PEPSIN A; . SOURCE 2 ORGANISM_SCIENTIFIC: SUS SCROFA; . AUTHOR L.CHEN,C.ABAD-ZAPATERO . 654 4 6 6 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 23591.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 497 76.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 36 5.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 222 33.9 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 4 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 13 2.0 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 . 3 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 . 84 12.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 78 11.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 48 7.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 10 1.5 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 7 0 0 2 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 2 4 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 . 7 11 4 12 4 4 2 0 0 2 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 0 3 1 2 0 1 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 I 0 0 118 0, 0.0 2,-0.4 0, 0.0 167,-0.2 0.000 360.0 360.0 360.0 120.5 44.9 12.5 23.2 2 2 A G E -A 167 0A 0 165,-2.1 165,-2.2 91,-0.1 2,-0.6 -0.773 360.0-155.9 -91.2 144.8 43.7 14.4 20.2 3 3 A D E -A 166 0A 92 89,-1.9 163,-0.2 -2,-0.4 89,-0.0 -0.968 14.1-179.8-120.1 108.3 40.2 15.5 20.0 4 4 A E E -A 165 0A 13 161,-2.7 161,-1.8 -2,-0.6 2,-0.1 -0.878 13.1-154.4-117.6 106.5 39.0 16.0 16.4 5 5 A P E -A 164 0A 81 0, 0.0 12,-0.4 0, 0.0 2,-0.4 -0.474 10.6-152.7 -73.6 143.8 35.4 17.2 16.0 6 6 A L - 0 0 11 157,-2.6 2,-0.5 10,-0.1 157,-0.5 -0.945 14.6-124.4-118.7 141.2 33.7 16.2 12.7 7 7 A E E -F 15 0B 21 8,-3.0 8,-1.3 -2,-0.4 2,-1.2 -0.728 22.1-138.2 -81.7 121.6 30.9 18.2 10.9 8 8 A N E -F 14 0B 0 -2,-0.5 2,-0.8 152,-0.2 6,-0.2 -0.742 22.3-170.1 -82.9 98.2 28.0 15.8 10.3 9 9 A Y E >> -F 13 0B 34 4,-2.9 4,-2.4 -2,-1.2 3,-1.8 -0.859 67.9 -37.5 -95.9 104.9 26.9 16.8 6.9 10 10 A L T 34 S- 0 0 30 -2,-0.8 -1,-0.2 1,-0.3 4,-0.1 0.669 97.2 -81.0 57.4 28.7 23.6 15.1 6.1 11 11 A D T 34 S+ 0 0 26 2,-0.3 -1,-0.3 1,-0.1 3,-0.1 0.571 127.5 83.9 54.5 13.1 24.5 11.9 7.9 12 12 A T T <4 S+ 0 0 30 -3,-1.8 2,-0.4 1,-0.3 -2,-0.2 0.696 90.2 36.4-112.0 -30.5 26.4 11.0 4.7 13 13 A E E < -F 9 0B 22 -4,-2.4 -4,-2.9 2,-0.0 2,-0.5 -0.988 53.9-176.2-133.9 132.4 29.7 12.9 5.3 14 14 A Y E +F 8 0B 12 -2,-0.4 17,-0.7 -6,-0.2 2,-0.3 -0.962 21.6 164.4-128.4 110.4 31.6 13.5 8.5 15 15 A F E -FG 7 30B 17 -8,-1.3 -8,-3.0 -2,-0.5 15,-0.2 -0.903 15.6-167.7-124.8 154.1 34.7 15.7 8.0 16 16 A G E - G 0 29B 3 13,-2.3 13,-1.8 -2,-0.3 2,-0.3 -0.732 25.0-103.1-130.1-172.6 37.1 17.6 10.3 17 17 A T E + G 0 28B 54 -12,-0.4 75,-0.5 11,-0.2 2,-0.3 -0.856 31.6 176.0-121.9 144.8 39.8 20.3 9.8 18 18 A I E - G 0 27B 3 9,-2.7 9,-1.7 -2,-0.3 2,-0.4 -0.854 22.5-132.8-137.3 169.3 43.6 20.0 9.9 19 19 A G E -HG 90 26B 2 71,-1.8 71,-2.7 -2,-0.3 2,-0.5 -0.994 14.6-165.8-123.8 134.6 46.4 22.3 9.3 20 20 A I E > +HG 89 25B 0 5,-1.8 5,-2.3 -2,-0.4 69,-0.2 -0.987 52.3 9.7-119.2 124.5 49.4 21.4 7.1 21 21 A G T 5S- 0 0 1 67,-1.8 40,-0.1 -2,-0.5 3,-0.1 -0.265 88.6 -55.3 113.4 164.0 52.5 23.5 7.3 22 22 A T T 5S+ 0 0 54 1,-0.3 40,-2.5 2,-0.1 41,-0.5 -0.995 135.3 27.8-117.1 124.4 54.2 26.3 9.2 23 23 A P T 5S- 0 0 71 0, 0.0 -1,-0.3 0, 0.0 2,-0.3 0.811 119.1-117.1 -72.1 156.8 52.3 28.5 9.2 24 24 A A T 5 - 0 0 14 -2,-0.1 464,-2.7 -5,-0.1 2,-0.3 -0.482 19.8-151.3 -77.5 129.4 49.4 26.1 8.9 25 25 A Q E < -GI 20 487B 4 -5,-2.3 -5,-1.8 -2,-0.3 462,-0.3 -0.737 24.8-118.9 -89.6 134.8 47.0 26.0 5.9 26 26 A D E +G 19 0B 4 460,-2.5 2,-0.3 -2,-0.3 -7,-0.2 -0.575 38.3 163.1 -77.7 143.4 43.4 24.8 6.6 27 27 A F E -G 18 0B 1 -9,-1.7 -9,-2.7 -2,-0.2 2,-0.5 -0.965 30.3-137.4-151.6 143.4 41.9 21.7 4.9 28 28 A T E -G 17 0B 18 -2,-0.3 90,-2.3 -11,-0.2 91,-2.2 -0.960 27.9-172.9-106.8 129.0 38.9 19.6 5.7 29 29 A V E -Gj 16 119B 0 -13,-1.8 -13,-2.3 -2,-0.5 2,-0.5 -0.915 27.5-123.9-120.1 145.3 39.5 15.9 5.4 30 30 A I E -Gj 15 120B 9 89,-1.8 91,-3.1 -2,-0.3 2,-1.2 -0.776 28.2-133.7 -79.8 126.8 37.3 12.9 5.6 31 31 A F E - j 0 121B 8 -17,-0.7 2,-0.8 -2,-0.5 91,-0.2 -0.717 32.4-171.8 -81.9 100.8 38.8 10.6 8.4 32 32 A D E > - j 0 122B 2 89,-1.5 91,-2.4 -2,-1.2 3,-1.1 -0.754 27.0-173.9-102.1 107.4 38.6 7.3 6.4 33 33 A T T 3 S+ 0 0 0 -2,-0.8 157,-0.4 1,-0.3 92,-0.1 0.494 80.8 76.1 -74.2 8.7 39.4 4.0 8.2 34 34 A G T 3 S+ 0 0 9 155,-0.1 2,-0.3 90,-0.1 -1,-0.3 0.144 104.0 22.3-103.4 17.9 39.1 2.3 4.8 35 35 A S < - 0 0 13 -3,-1.1 89,-1.9 86,-0.1 88,-0.7 -0.932 66.8-134.5-164.7 177.7 42.5 3.5 3.6 36 36 A S + 0 0 1 92,-0.4 2,-0.3 -2,-0.3 100,-0.2 0.354 63.7 99.5-130.5 9.9 45.8 4.7 5.0 37 37 A N - 0 0 7 91,-0.1 85,-2.0 98,-0.1 2,-0.5 -0.722 51.1-151.6-108.9 144.2 46.9 7.8 3.1 38 38 A L E +K 121 0B 5 -2,-0.3 64,-2.6 83,-0.3 2,-0.3 -0.949 29.9 157.9-106.1 127.1 46.7 11.5 3.9 39 39 A W E -Kl 120 102B 1 81,-1.8 81,-1.2 -2,-0.5 64,-0.2 -0.971 18.6-175.2-144.4 158.2 46.5 13.7 0.9 40 40 A V E - l 0 103B 0 62,-2.4 64,-2.0 -2,-0.3 79,-0.1 -0.902 40.1 -92.2-136.7 159.7 45.2 17.2 0.1 41 41 A P - 0 0 0 0, 0.0 15,-3.2 0, 0.0 2,-0.3 -0.281 47.3-166.2 -58.0 164.9 45.0 19.2 -3.3 42 42 A S B > -o 56 0C 0 62,-0.4 3,-1.6 13,-0.4 15,-0.2 -0.949 39.6 -91.9-147.4 173.9 48.1 21.3 -4.0 43 43 A V T 3 S+ 0 0 32 13,-2.0 14,-0.1 -2,-0.3 564,-0.1 0.546 119.1 67.8 -70.5 -1.3 49.0 24.0 -6.4 44 44 A Y T 3 S+ 0 0 112 60,-0.4 2,-0.4 12,-0.3 -1,-0.3 0.724 78.0 101.7 -84.2 -20.4 50.3 21.3 -8.8 45 45 A a < + 0 0 5 -3,-1.6 61,-0.2 59,-0.4 60,-0.1 -0.501 42.7 175.4 -79.6 126.2 46.9 20.1 -9.4 46 46 A S + 0 0 103 59,-1.2 -1,-0.2 -2,-0.4 60,-0.1 0.615 42.6 115.5 -90.3 -30.2 45.2 21.2 -12.6 47 47 A S S >> S- 0 0 19 58,-0.5 4,-1.1 3,-0.1 3,-0.9 -0.053 75.8-113.2 -54.2 151.6 42.0 19.2 -12.3 48 48 A L H >> S+ 0 0 99 1,-0.3 3,-1.9 2,-0.2 4,-0.9 0.930 116.6 53.1 -49.2 -60.7 38.5 20.7 -11.9 49 49 A A H 34 S+ 0 0 0 58,-0.7 -1,-0.3 1,-0.3 -2,-0.1 0.789 105.7 58.2 -48.3 -29.3 38.0 19.4 -8.3 50 50 A a H X4 S+ 0 0 0 -3,-0.9 3,-0.9 57,-0.3 -1,-0.3 0.805 96.4 61.8 -75.5 -26.5 41.3 21.1 -7.5 51 51 A S H << S+ 0 0 57 -3,-1.9 -2,-0.2 -4,-1.1 -1,-0.2 0.936 107.6 39.6 -67.8 -42.4 40.2 24.6 -8.6 52 52 A D T 3< S+ 0 0 33 -4,-0.9 2,-0.3 2,-0.1 -1,-0.2 0.078 108.9 72.2 -94.6 24.4 37.3 25.0 -6.0 53 53 A H S < S- 0 0 9 -3,-0.9 65,-0.0 65,-0.0 -26,-0.0 -0.954 94.8 -92.4-134.3 151.1 39.1 23.4 -3.1 54 54 A N - 0 0 0 -2,-0.3 2,-0.4 -26,-0.1 -2,-0.1 -0.337 42.6-151.8 -59.2 147.0 41.9 24.7 -1.0 55 55 A Q - 0 0 9 -15,-0.1 2,-0.4 -4,-0.1 -13,-0.4 -0.988 15.6-117.6-127.7 130.5 45.3 23.6 -2.4 56 56 A F B -o 42 0C 0 -15,-3.2 -13,-2.0 -2,-0.4 -12,-0.3 -0.544 24.9-160.2 -66.4 125.6 48.5 23.1 -0.3 57 57 A N > - 0 0 34 -2,-0.4 3,-1.4 -15,-0.2 -15,-0.0 -0.924 7.5-163.4-106.9 107.1 51.3 25.5 -1.5 58 58 A P G > S+ 0 0 10 0, 0.0 3,-1.8 0, 0.0 6,-0.3 0.845 84.5 69.7 -54.2 -32.7 54.7 24.2 -0.4 59 59 A D G 3 S+ 0 0 133 1,-0.3 -3,-0.0 -3,-0.1 -2,-0.0 0.659 94.1 53.4 -67.4 -15.3 56.2 27.6 -1.0 60 60 A D G < S+ 0 0 51 -3,-1.4 2,-0.5 425,-0.0 -1,-0.3 0.101 94.4 88.1-103.3 20.1 54.4 29.2 1.9 61 61 A S < - 0 0 16 -3,-1.8 3,-0.4 1,-0.1 -40,-0.1 -0.977 52.9-168.0-123.3 131.1 55.7 26.7 4.4 62 62 A S S S+ 0 0 96 -40,-2.5 -1,-0.1 -2,-0.5 -3,-0.0 0.604 91.5 50.4 -85.4 -13.5 58.9 27.0 6.2 63 63 A T S S+ 0 0 51 -41,-0.5 2,-0.3 -40,-0.1 -1,-0.2 0.192 79.8 120.2-106.6 12.9 58.7 23.3 7.4 64 64 A F - 0 0 43 -3,-0.4 2,-0.4 -6,-0.3 23,-0.2 -0.591 37.5-173.8 -79.2 135.7 58.0 21.6 4.1 65 65 A E E -M 86 0B 120 21,-2.2 21,-2.9 -2,-0.3 2,-0.1 -1.000 19.0-142.9-124.8 127.9 60.6 18.9 2.8 66 66 A A E -M 85 0B 74 -2,-0.4 2,-0.3 19,-0.2 19,-0.2 -0.352 13.5-161.1 -86.9 167.7 59.8 17.6 -0.8 67 67 A T E - 0 0 29 17,-1.0 -1,-0.0 2,-0.1 17,-0.0 -0.915 26.5-129.9-138.4 172.8 60.2 14.1 -2.1 68 68 A S E + 0 0 125 -2,-0.3 2,-0.1 15,-0.1 17,-0.1 0.516 67.7 119.5 -93.3 -9.6 60.5 12.4 -5.4 69 69 A Q E - 0 0 88 15,-0.1 15,-2.7 1,-0.1 2,-0.2 -0.419 52.7-144.1 -78.2 145.1 57.8 9.7 -4.7 70 70 A E E -M 83 0B 114 13,-0.2 2,-0.3 -2,-0.1 13,-0.2 -0.488 12.1-158.9 -93.7 156.2 54.7 9.4 -6.8 71 71 A L E +M 82 0B 1 11,-2.3 11,-2.3 -2,-0.2 2,-0.3 -0.999 12.9 176.1-138.7 137.5 51.4 8.5 -5.3 72 72 A S E +M 81 0B 65 -2,-0.3 2,-0.4 9,-0.3 9,-0.3 -0.987 6.3 178.4-139.1 136.2 48.2 7.0 -7.0 73 73 A I E -M 80 0B 17 7,-2.7 7,-1.4 -2,-0.3 2,-0.4 -0.910 12.3-163.4-143.8 117.5 45.1 5.9 -5.0 74 74 A T E -M 79 0B 120 -2,-0.4 5,-0.3 5,-0.2 2,-0.2 -0.852 15.9-171.9 -98.0 135.3 41.9 4.6 -6.4 75 75 A Y - 0 0 28 3,-3.2 3,-0.3 -2,-0.4 -40,-0.0 -0.689 41.0-100.6-114.8 172.6 38.8 4.7 -4.0 76 76 A G S S+ 0 0 54 1,-0.3 2,-0.6 -2,-0.2 -1,-0.1 0.951 123.1 25.2 -58.7 -53.6 35.4 3.2 -4.3 77 77 A T S S- 0 0 45 -3,-0.0 -1,-0.3 34,-0.0 2,-0.1 -0.943 132.5 -17.6-105.3 103.6 34.1 6.7 -5.4 78 78 A G - 0 0 20 -2,-0.6 -3,-3.2 -3,-0.3 2,-0.3 -0.317 59.1-141.7 102.4 177.2 37.1 8.7 -6.9 79 79 A S E -M 74 0B 33 29,-0.3 2,-0.3 -5,-0.3 -5,-0.2 -0.970 4.6-154.5-171.4 173.9 40.9 8.6 -7.1 80 80 A M E -M 73 0B 4 -7,-1.4 -7,-2.7 -2,-0.3 2,-0.3 -0.972 8.2-160.2-156.6 160.6 44.2 10.7 -7.2 81 81 A T E +MN 72 106B 37 25,-1.0 24,-2.8 -2,-0.3 25,-1.4 -0.946 35.0 141.0-134.6 149.3 47.8 10.7 -8.3 82 82 A G E -MN 71 104B 1 -11,-2.3 -11,-2.3 -2,-0.3 2,-0.3 -0.901 47.7 -91.9-165.8-166.8 50.2 13.1 -6.7 83 83 A I E -MN 70 103B 34 20,-2.4 20,-3.1 -2,-0.3 2,-0.2 -0.872 39.3-119.1-125.1 147.7 53.6 13.6 -5.3 84 84 A L E + N 0 102B 0 -15,-2.7 -17,-1.0 -2,-0.3 2,-0.3 -0.646 34.7 167.0 -91.2 153.1 54.6 13.0 -1.7 85 85 A G E -MN 66 101B 0 16,-2.2 16,-2.3 -2,-0.2 2,-0.3 -0.949 26.5-121.6-155.5 167.5 56.0 15.7 0.7 86 86 A Y E +MN 65 100B 70 -21,-2.9 -21,-2.2 -2,-0.3 2,-0.3 -0.913 41.5 124.8-118.2 146.3 56.7 16.2 4.4 87 87 A D E - N 0 99B 0 12,-1.5 12,-2.8 -2,-0.3 2,-0.7 -0.956 59.6 -66.5-177.4 175.4 55.4 18.8 6.9 88 88 A T E - 0 0 20 -2,-0.3 -67,-1.8 10,-0.2 2,-0.5 -0.738 40.5-166.2 -86.6 109.3 53.7 19.4 10.2 89 89 A V E -HN 20 96B 0 7,-2.0 7,-3.5 -2,-0.7 2,-0.8 -0.779 9.0-152.8 -94.4 122.1 50.0 18.3 10.2 90 90 A Q E +HN 19 95B 66 -71,-2.7 -71,-1.8 -2,-0.5 2,-0.4 -0.954 27.1 169.4 -99.6 110.2 48.1 19.7 13.2 91 91 A V E > - N 0 94B 2 3,-1.6 3,-1.8 -2,-0.8 -73,-0.1 -0.991 62.2 -15.7-126.9 127.3 45.4 17.1 13.7 92 92 A G T 3 S- 0 0 11 -75,-0.5 -89,-1.9 -2,-0.4 75,-0.1 0.699 128.7 -49.3 55.2 27.6 43.1 17.0 16.7 93 93 A G T 3 S+ 0 0 76 1,-0.4 -1,-0.3 -91,-0.2 -91,-0.1 -0.188 116.2 111.8 106.9 -34.1 45.4 19.4 18.8 94 94 A I E < - N 0 91B 18 -3,-1.8 -3,-1.6 1,-0.1 2,-1.0 -0.335 63.8-140.4 -79.5 146.1 48.5 17.4 18.0 95 95 A S E - N 0 90B 64 -5,-0.2 2,-1.7 -3,-0.1 -5,-0.3 -0.894 16.4-159.0-107.8 97.1 51.3 18.8 15.9 96 96 A D E - N 0 89B 0 -7,-3.5 -7,-2.0 -2,-1.0 3,-0.4 -0.669 17.9-153.0 -76.5 84.6 52.2 15.8 14.0 97 97 A T E + 0 0 66 -2,-1.7 -9,-0.2 -9,-0.2 46,-0.0 -0.333 63.7 6.0 -63.6 147.3 55.7 16.9 13.0 98 98 A N E S+ 0 0 70 1,-0.2 2,-0.4 -35,-0.1 -1,-0.2 0.912 82.5 166.2 42.0 69.1 57.4 15.7 9.9 99 99 A Q E - N 0 87B 0 -12,-2.8 -12,-1.5 -3,-0.4 2,-0.2 -0.919 32.4-130.6-114.4 134.9 54.5 13.7 8.4 100 100 A I E + N 0 86B 10 -2,-0.4 2,-0.3 -14,-0.2 -62,-0.2 -0.609 37.9 155.6 -86.9 140.5 54.4 12.4 4.8 101 101 A F E - N 0 85B 3 -16,-2.3 -16,-2.2 -2,-0.2 2,-0.4 -0.977 40.7 -92.9-160.5 165.2 51.3 13.1 2.7 102 102 A G E -lN 39 84B 1 -64,-2.6 -62,-2.4 -2,-0.3 2,-0.6 -0.698 16.3-158.4 -96.6 130.4 50.2 13.5 -0.9 103 103 A L E -lN 40 83B 1 -20,-3.1 -20,-2.4 -2,-0.4 -61,-0.1 -0.958 34.7-131.7 -97.3 110.5 50.1 16.7 -2.7 104 104 A S E - N 0 82B 0 -64,-2.0 -59,-0.4 -2,-0.6 -62,-0.4 -0.264 29.7-178.2 -75.1 158.8 47.6 15.8 -5.6 105 105 A E E S+ 0 0 69 -24,-2.8 -59,-1.2 1,-0.5 -58,-0.5 0.480 74.2 24.1-126.9 -22.0 48.0 16.5 -9.2 106 106 A T E + N 0 81B 45 -25,-1.4 -25,-1.0 -61,-0.2 -1,-0.5 -0.980 46.7 178.7-148.8 144.8 44.8 15.1 -10.5 107 107 A E - 0 0 3 -2,-0.3 -58,-0.7 -27,-0.2 2,-0.3 -0.827 27.4-160.4-143.7 85.4 41.5 14.6 -9.0 108 108 A P + 0 0 70 0, 0.0 -29,-0.3 0, 0.0 4,-0.2 -0.622 47.3 49.1 -80.9 132.7 39.5 13.3 -12.0 109 109 A G S >> S- 0 0 45 -2,-0.3 4,-0.8 1,-0.1 3,-0.5 0.202 74.6-111.5 110.8 134.1 35.7 13.5 -11.9 110 110 A S H 3> S+ 0 0 70 1,-0.2 4,-1.9 2,-0.2 3,-0.2 0.721 104.3 72.4 -70.0 -19.3 33.0 16.1 -11.1 111 111 A F H 34 S+ 0 0 73 1,-0.2 4,-0.4 2,-0.2 -1,-0.2 0.943 97.4 48.6 -67.7 -39.9 31.8 14.5 -7.9 112 112 A L H X4 S+ 0 0 10 -3,-0.5 3,-0.7 2,-0.2 -1,-0.2 0.807 107.2 60.3 -63.1 -25.9 35.0 15.5 -6.0 113 113 A Y H 3< S+ 0 0 63 -4,-0.8 -1,-0.2 1,-0.3 -2,-0.2 0.968 108.5 41.2 -61.3 -52.5 34.4 19.0 -7.5 114 114 A Y T 3< S+ 0 0 130 -4,-1.9 -1,-0.3 2,-0.1 -2,-0.2 0.441 92.2 113.0 -74.5 -3.5 31.1 19.3 -5.8 115 115 A A < - 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