==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=21-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 20-APR-05 1ZG9 . COMPND 2 MOLECULE: PROCARBOXYPEPTIDASE B; . SOURCE 2 ORGANISM_SCIENTIFIC: SUS SCROFA; . AUTHOR M.ADLER,J.BRYANT,B.BUCKMAN,I.ISLAM,B.LARSEN,S.FINSTER, . 914 3 9 9 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 34061.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 620 67.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 84 9.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 51 5.6 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 3 0.3 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 . 55 6.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 89 9.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 282 30.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 0.9 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 3 0 2 1 0 6 0 1 2 1 2 1 0 3 0 2 2 1 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 3 0 0 3 6 0 3 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 . 1 0 6 0 0 2 1 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 . 0 0 0 0 0 0 3 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 5 A T 0 0 115 0, 0.0 2,-0.4 0, 0.0 15,-0.1 0.000 360.0 360.0 360.0 4.4 7.6 9.6 61.3 2 6 A G - 0 0 70 1,-0.1 2,-0.1 7,-0.0 11,-0.1 -0.635 360.0-121.2 -80.0 125.2 6.6 11.0 57.9 3 7 A H + 0 0 56 -2,-0.4 2,-0.3 10,-0.1 -1,-0.1 -0.400 33.4 176.1 -70.3 139.9 9.6 11.1 55.5 4 8 A S - 0 0 40 3,-0.2 3,-0.5 -2,-0.1 5,-0.1 -0.991 28.3-148.8-140.8 142.9 10.9 14.3 54.0 5 9 A Y S S+ 0 0 42 -2,-0.3 72,-0.1 1,-0.2 -1,-0.1 0.577 102.0 49.7 -88.5 -9.9 13.9 15.0 51.8 6 10 A E S S+ 0 0 95 277,-0.1 2,-0.3 2,-0.1 277,-0.2 0.129 108.5 62.3-111.5 18.9 14.4 18.5 53.1 7 11 A K S S- 0 0 118 -3,-0.5 2,-0.5 276,-0.1 -3,-0.2 -0.904 91.8-104.0-135.6 160.4 14.2 17.4 56.8 8 12 A Y - 0 0 19 -2,-0.3 2,-0.4 -5,-0.1 -3,-0.1 -0.803 39.6-148.4 -89.0 125.5 16.4 15.0 58.8 9 13 A N - 0 0 10 -2,-0.5 -6,-0.1 -5,-0.1 5,-0.0 -0.825 7.9-127.1-100.4 135.2 14.6 11.7 59.3 10 14 A N > - 0 0 49 -2,-0.4 4,-2.5 1,-0.1 3,-0.4 -0.212 37.1 -95.9 -71.7 167.9 14.9 9.4 62.3 11 15 A W H > S+ 0 0 13 1,-0.2 4,-2.9 2,-0.2 5,-0.3 0.864 123.1 54.2 -55.1 -43.1 15.8 5.8 61.9 12 16 A E H > S+ 0 0 118 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.877 112.1 47.3 -62.2 -33.1 12.2 4.4 62.0 13 17 A T H > S+ 0 0 4 -3,-0.4 4,-2.4 2,-0.2 -2,-0.2 0.946 112.0 48.9 -71.7 -44.7 11.4 6.9 59.2 14 18 A I H X S+ 0 0 0 -4,-2.5 4,-2.1 1,-0.2 -2,-0.2 0.873 111.0 50.5 -63.3 -37.9 14.5 5.9 57.2 15 19 A E H X S+ 0 0 61 -4,-2.9 4,-1.8 2,-0.2 -1,-0.2 0.922 109.8 49.2 -66.4 -43.9 13.7 2.2 57.5 16 20 A A H X S+ 0 0 44 -4,-1.8 4,-2.7 -5,-0.3 -2,-0.2 0.917 111.5 51.5 -59.3 -43.8 10.1 2.8 56.4 17 21 A W H X S+ 0 0 15 -4,-2.4 4,-3.3 2,-0.2 5,-0.4 0.863 102.8 57.3 -60.9 -42.0 11.5 4.8 53.4 18 22 A T H X S+ 0 0 0 -4,-2.1 4,-1.2 1,-0.2 -1,-0.2 0.945 112.8 43.0 -58.6 -40.4 13.9 2.0 52.4 19 23 A K H X S+ 0 0 126 -4,-1.8 4,-2.3 2,-0.2 -2,-0.2 0.933 117.8 43.1 -71.4 -46.1 10.9 -0.3 52.1 20 24 A Q H X S+ 0 0 86 -4,-2.7 4,-2.2 2,-0.2 5,-0.2 0.920 111.7 51.4 -70.3 -39.2 8.6 2.2 50.3 21 25 A V H X S+ 0 0 5 -4,-3.3 4,-0.9 1,-0.2 -1,-0.2 0.868 113.4 48.6 -66.5 -29.8 11.1 3.5 47.9 22 26 A T H < S+ 0 0 26 -4,-1.2 3,-0.3 -5,-0.4 7,-0.3 0.905 109.9 49.0 -73.5 -46.3 11.9 -0.1 46.9 23 27 A S H < S+ 0 0 73 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.865 112.0 49.2 -63.9 -34.7 8.3 -1.2 46.5 24 28 A E H < S+ 0 0 138 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.744 118.3 39.1 -76.8 -20.6 7.5 1.8 44.3 25 29 A N >X + 0 0 30 -4,-0.9 4,-3.1 -3,-0.3 3,-2.1 -0.348 64.0 153.0-128.0 60.1 10.6 1.3 42.0 26 30 A P T 34 S+ 0 0 98 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.719 75.3 54.8 -58.8 -27.9 11.0 -2.5 41.5 27 31 A D T 34 S+ 0 0 75 -3,-0.1 3,-0.1 1,-0.1 -2,-0.0 0.548 122.1 27.4 -81.6 -12.9 12.7 -2.0 38.1 28 32 A L T <4 S+ 0 0 8 -3,-2.1 21,-2.8 1,-0.2 2,-0.4 0.682 117.0 46.9-121.9 -29.6 15.3 0.3 39.7 29 33 A I E < +A 48 0A 5 -4,-3.1 2,-0.4 -7,-0.3 -1,-0.2 -0.951 47.1 178.0-128.5 136.8 15.8 -0.6 43.3 30 34 A S E -A 47 0A 55 17,-1.4 17,-3.3 -2,-0.4 2,-0.4 -0.979 18.8-148.6-129.8 143.3 16.3 -3.7 45.3 31 35 A R E +A 46 0A 78 -2,-0.4 2,-0.3 15,-0.2 15,-0.2 -0.955 21.3 163.4-120.9 135.3 16.8 -3.7 49.0 32 36 A T E -A 45 0A 68 13,-2.3 13,-2.7 -2,-0.4 2,-0.4 -0.808 33.3-125.0-134.6 171.2 18.8 -6.2 51.2 33 37 A A E -A 44 0A 54 -2,-0.3 11,-0.3 11,-0.3 3,-0.1 -0.996 13.8-165.6-119.5 128.4 20.3 -6.1 54.7 34 38 A I E - 0 0 33 9,-2.9 2,-0.3 -2,-0.4 10,-0.1 0.446 64.6 -43.4 -96.8 3.5 24.0 -6.8 54.9 35 39 A G E - 0 0 29 8,-0.4 8,-2.5 5,-0.0 2,-0.3 -0.969 63.4 -86.5 162.3-172.4 24.1 -7.5 58.6 36 40 A T E -A 42 0A 51 -2,-0.3 6,-0.2 6,-0.2 138,-0.1 -0.913 33.5-118.7-125.8 155.4 22.8 -6.2 62.0 37 41 A T > - 0 0 0 4,-2.0 3,-2.2 -2,-0.3 71,-0.1 -0.317 42.2 -92.1 -82.0 172.1 24.1 -3.6 64.4 38 42 A F T 3 S+ 0 0 86 1,-0.3 -1,-0.1 2,-0.1 90,-0.1 0.811 131.2 45.7 -52.9 -32.6 25.2 -4.3 68.0 39 43 A L T 3 S- 0 0 102 2,-0.0 -1,-0.3 88,-0.0 88,-0.0 0.169 123.2-102.5-100.1 13.6 21.6 -3.4 68.9 40 44 A G < + 0 0 46 -3,-2.2 2,-0.1 1,-0.2 -2,-0.1 0.593 67.9 146.6 83.1 11.4 19.9 -5.4 66.3 41 45 A N - 0 0 39 1,-0.1 -4,-2.0 2,-0.0 2,-0.5 -0.499 54.5-107.0 -79.7 149.9 18.9 -2.8 63.8 42 46 A N E -A 36 0A 63 -6,-0.2 2,-1.3 -2,-0.1 -6,-0.2 -0.715 20.3-140.7 -83.7 123.3 19.0 -3.9 60.2 43 47 A I E - 0 0 0 -8,-2.5 -9,-2.9 -2,-0.5 -8,-0.4 -0.710 28.2-158.8 -84.8 95.7 21.8 -2.6 58.0 44 48 A Y E -A 33 0A 17 -2,-1.3 62,-0.4 -11,-0.3 2,-0.4 -0.460 14.8-171.1 -79.2 146.4 20.0 -1.9 54.7 45 49 A L E -A 32 0A 1 -13,-2.7 -13,-2.3 59,-0.2 2,-0.4 -1.000 10.5-151.8-134.5 127.3 21.7 -1.6 51.4 46 50 A L E -AB 31 103A 0 57,-3.3 57,-2.7 -2,-0.4 2,-0.7 -0.857 5.1-149.3-101.7 138.3 19.8 -0.4 48.3 47 51 A K E -AB 30 102A 75 -17,-3.3 -17,-1.4 -2,-0.4 2,-0.5 -0.926 19.3-168.0-108.6 108.6 20.9 -1.6 44.8 48 52 A V E +AB 29 101A 0 53,-2.9 53,-3.6 -2,-0.7 2,-0.3 -0.865 37.3 66.5-104.7 124.8 20.1 1.1 42.4 49 53 A G S S- 0 0 3 -21,-2.8 48,-0.2 -2,-0.5 51,-0.1 -0.854 86.8 -63.8 152.9 170.7 20.2 0.5 38.6 50 54 A K - 0 0 49 46,-3.0 -22,-0.1 49,-0.3 -23,-0.1 -0.791 63.5-114.8 -83.1 117.6 18.6 -1.3 35.7 51 55 A P + 0 0 104 0, 0.0 -1,-0.1 0, 0.0 -22,-0.0 -0.271 53.4 145.3 -59.1 137.6 19.3 -5.0 36.5 52 56 A G > - 0 0 40 46,-0.0 3,-0.6 3,-0.0 2,-0.2 -0.964 49.7 -68.8-160.1 173.0 21.5 -6.8 34.0 53 57 A P T 3 S- 0 0 103 0, 0.0 0, 0.0 0, 0.0 0, 0.0 -0.470 103.5 -11.3 -76.1 144.5 24.2 -9.4 33.7 54 58 A N T 3 S- 0 0 162 -2,-0.2 0, 0.0 1,-0.1 0, 0.0 0.759 83.0-177.2 40.9 50.9 27.7 -8.9 35.2 55 59 A K < - 0 0 25 -3,-0.6 44,-0.2 1,-0.1 -1,-0.1 -0.465 23.1-129.9 -84.3 140.8 27.3 -5.2 36.0 56 60 A P - 0 0 26 0, 0.0 44,-2.2 0, 0.0 2,-0.3 -0.413 33.3-155.7 -75.6 166.0 30.1 -3.0 37.4 57 61 A A E -cd 100 186A 2 128,-3.1 130,-2.9 42,-0.2 131,-0.8 -0.963 24.1-141.4-146.7 165.5 29.2 -0.9 40.5 58 62 A I E -cd 101 188A 1 42,-1.9 44,-3.0 -2,-0.3 2,-0.5 -0.984 23.9-148.8-126.5 127.7 29.9 2.1 42.6 59 63 A F E +cd 102 189A 0 129,-2.7 131,-3.1 -2,-0.4 2,-0.4 -0.938 19.6 175.4-105.1 124.8 29.5 1.6 46.3 60 64 A M E -cd 103 190A 0 42,-3.3 44,-2.8 -2,-0.5 2,-0.3 -0.996 3.9-177.9-131.1 130.4 28.4 4.7 48.5 61 65 A D E -cd 104 191A 0 129,-1.9 131,-2.9 -2,-0.4 2,-0.3 -0.904 4.3-173.1-126.9 157.9 27.6 4.8 52.2 62 66 A a + 0 0 0 42,-1.9 45,-1.5 -2,-0.3 46,-0.1 -0.851 61.3 48.1-139.3 164.1 26.4 7.6 54.5 63 67 A G + 0 0 0 129,-0.4 45,-3.1 5,-0.3 49,-0.1 0.835 53.9 138.1 70.8 32.5 26.0 7.6 58.2 64 68 A F S S+ 0 0 0 128,-0.6 2,-0.5 43,-0.2 129,-0.1 0.945 76.2 45.5 -67.4 -48.3 29.4 6.2 59.4 65 69 A H S > S- 0 0 5 1,-0.1 3,-1.3 3,-0.1 -1,-0.2 -0.845 83.8-140.2-104.2 124.6 29.4 8.9 62.1 66 70 A A T 3 S+ 0 0 0 57,-1.4 57,-0.2 -2,-0.5 -1,-0.1 0.805 94.5 47.9 -49.3 -48.0 26.2 9.5 64.1 67 71 A R T 3 S+ 0 0 34 55,-1.1 2,-1.8 1,-0.2 -1,-0.2 0.565 84.7 92.1 -76.4 -10.4 26.1 13.3 64.4 68 72 A E X> + 0 0 4 -3,-1.3 3,-2.2 1,-0.2 4,-0.7 -0.416 49.8 165.9 -83.8 60.8 26.9 14.0 60.7 69 73 A W H 3> + 0 0 28 -2,-1.8 4,-2.0 207,-0.4 -1,-0.2 0.695 65.0 66.3 -49.9 -32.5 23.2 14.2 59.8 70 74 A I H 3> S+ 0 0 1 206,-0.3 4,-1.7 1,-0.2 -1,-0.3 0.762 96.4 61.0 -64.3 -23.5 23.7 15.9 56.4 71 75 A S H <> S+ 0 0 0 -3,-2.2 4,-1.6 2,-0.2 3,-0.3 0.965 105.0 43.8 -62.7 -58.3 25.4 12.6 55.4 72 76 A H H X S+ 0 0 0 -4,-0.7 4,-1.3 1,-0.3 3,-0.3 0.923 111.9 55.8 -53.2 -49.4 22.2 10.5 56.0 73 77 A A H X S+ 0 0 8 -4,-2.0 4,-2.1 1,-0.2 -1,-0.3 0.861 103.8 54.2 -54.2 -41.1 20.2 13.1 54.2 74 78 A F H X S+ 0 0 0 -4,-1.7 4,-2.7 -3,-0.3 -1,-0.2 0.877 100.8 57.2 -66.4 -39.2 22.4 12.9 51.1 75 79 A a H X S+ 0 0 0 -4,-1.6 4,-1.6 -3,-0.3 -1,-0.2 0.888 111.2 44.8 -60.0 -35.0 22.0 9.2 50.6 76 80 A Q H X S+ 0 0 3 -4,-1.3 4,-2.0 2,-0.2 -2,-0.2 0.888 111.3 51.5 -73.8 -39.7 18.2 9.7 50.5 77 81 A W H X S+ 0 0 8 -4,-2.1 4,-2.2 1,-0.2 -2,-0.2 0.927 107.5 54.9 -60.7 -44.5 18.4 12.7 48.2 78 82 A F H X S+ 0 0 1 -4,-2.7 4,-2.2 1,-0.2 -1,-0.2 0.915 106.3 50.8 -56.3 -49.4 20.6 10.6 45.8 79 83 A V H X S+ 0 0 0 -4,-1.6 4,-2.1 1,-0.2 -1,-0.2 0.920 108.4 49.8 -59.7 -45.3 18.1 7.8 45.6 80 84 A R H X S+ 0 0 73 -4,-2.0 4,-2.6 1,-0.2 5,-0.3 0.921 110.5 52.4 -61.9 -38.4 15.2 10.1 44.7 81 85 A E H X S+ 0 0 34 -4,-2.2 4,-2.1 2,-0.2 5,-0.2 0.933 105.6 54.0 -60.8 -44.0 17.3 11.8 42.0 82 86 A A H X S+ 0 0 0 -4,-2.2 4,-1.2 1,-0.2 -1,-0.2 0.950 116.3 38.2 -55.4 -52.4 18.2 8.4 40.5 83 87 A V H < S+ 0 0 29 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.767 114.2 51.0 -74.0 -29.6 14.5 7.5 40.1 84 88 A L H < S+ 0 0 108 -4,-2.6 -1,-0.2 -5,-0.2 -2,-0.2 0.809 120.1 35.7 -76.0 -31.0 13.0 10.9 39.2 85 89 A T H >X S+ 0 0 36 -4,-2.1 4,-2.5 -5,-0.3 3,-2.5 0.557 81.3 117.2-103.2 -6.2 15.4 11.4 36.4 86 90 A Y T 3< S+ 0 0 54 -4,-1.2 4,-0.1 1,-0.3 7,-0.0 -0.405 89.5 18.1 -61.7 130.6 16.0 7.9 35.0 87 91 A G T 34 S+ 0 0 51 2,-0.4 -1,-0.3 -2,-0.1 3,-0.1 0.238 126.9 57.5 92.2 -15.8 14.8 8.1 31.4 88 92 A Y T <4 S+ 0 0 203 -3,-2.5 2,-0.6 1,-0.3 -2,-0.2 0.700 95.7 55.4-114.8 -39.7 14.9 11.9 31.3 89 93 A E S X S- 0 0 56 -4,-2.5 4,-2.2 1,-0.1 -2,-0.4 -0.913 74.9-145.5-101.6 120.7 18.4 13.0 32.1 90 94 A S H > S+ 0 0 84 -2,-0.6 4,-2.0 2,-0.2 -1,-0.1 0.812 93.0 48.9 -53.7 -42.7 20.9 11.3 29.7 91 95 A H H > S+ 0 0 82 2,-0.2 4,-3.3 1,-0.2 -1,-0.2 0.974 114.0 43.7 -64.7 -54.3 23.8 10.9 32.2 92 96 A M H > S+ 0 0 0 2,-0.2 4,-2.9 1,-0.2 5,-0.2 0.872 114.4 51.1 -60.2 -37.3 21.8 9.3 35.0 93 97 A T H X S+ 0 0 29 -4,-2.2 4,-1.8 -8,-0.2 -1,-0.2 0.937 113.7 46.2 -63.9 -42.6 19.9 7.1 32.4 94 98 A E H X S+ 0 0 50 -4,-2.0 4,-2.4 -5,-0.2 5,-0.2 0.929 113.0 49.1 -65.7 -41.6 23.4 6.1 31.2 95 99 A F H X S+ 0 0 2 -4,-3.3 4,-3.1 1,-0.2 -2,-0.2 0.939 114.6 44.2 -63.8 -50.4 24.7 5.6 34.7 96 100 A L H < S+ 0 0 0 -4,-2.9 -46,-3.0 1,-0.2 -1,-0.2 0.727 115.0 48.0 -68.4 -29.0 21.8 3.4 35.8 97 101 A N H < S+ 0 0 66 -4,-1.8 -1,-0.2 -5,-0.2 -2,-0.2 0.880 120.9 36.7 -76.2 -40.7 21.8 1.4 32.5 98 102 A K H < S+ 0 0 100 -4,-2.4 2,-0.3 -5,-0.2 -2,-0.2 0.819 122.5 20.2 -83.1 -36.9 25.5 0.8 32.7 99 103 A L < - 0 0 2 -4,-3.1 2,-0.5 -5,-0.2 -49,-0.3 -0.845 66.6-119.9-134.5 168.2 26.3 0.3 36.4 100 104 A D E - c 0 57A 13 -44,-2.2 -42,-1.9 -2,-0.3 2,-0.7 -0.948 21.1-145.4-111.5 129.9 24.7 -0.5 39.7 101 105 A F E -Bc 48 58A 1 -53,-3.6 -53,-2.9 -2,-0.5 2,-0.8 -0.875 6.0-155.5 -95.2 111.2 24.8 2.0 42.6 102 106 A Y E -Bc 47 59A 18 -44,-3.0 -42,-3.3 -2,-0.7 2,-0.6 -0.798 16.4-172.6 -88.3 108.0 25.1 0.3 46.0 103 107 A V E -Bc 46 60A 0 -57,-2.7 -57,-3.3 -2,-0.8 -42,-0.2 -0.936 13.1-168.2-106.5 117.4 23.7 2.9 48.4 104 108 A L E - c 0 61A 0 -44,-2.8 -42,-1.9 -2,-0.6 3,-0.2 -0.903 8.4-163.2-105.3 100.3 24.0 2.2 52.2 105 109 A P S S+ 0 0 1 0, 0.0 2,-0.3 0, 0.0 -30,-0.2 0.844 71.7 2.7 -48.9 -52.0 21.7 4.8 53.8 106 110 A V + 0 0 1 -62,-0.4 3,-0.3 1,-0.1 -43,-0.3 -0.919 55.2 179.8-145.1 117.9 23.0 4.6 57.4 107 111 A L S S+ 0 0 0 -45,-1.5 2,-1.5 -2,-0.3 -43,-0.2 0.968 83.0 47.5 -80.9 -56.8 26.0 2.5 58.6 108 112 A N > + 0 0 0 -45,-3.1 4,-1.8 1,-0.2 -1,-0.2 -0.549 66.8 159.3 -86.3 72.7 26.0 3.4 62.3 109 113 A I H > + 0 0 0 -2,-1.5 4,-2.6 -3,-0.3 5,-0.2 0.921 68.9 53.8 -63.6 -45.9 22.3 3.0 63.1 110 114 A D H > S+ 0 0 4 1,-0.2 4,-1.6 -3,-0.2 -1,-0.2 0.832 112.1 46.1 -60.1 -34.6 22.6 2.6 66.9 111 115 A G H > S+ 0 0 0 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.854 109.4 53.9 -76.3 -33.7 24.6 5.8 67.1 112 116 A Y H X S+ 0 0 1 -4,-1.8 4,-1.1 2,-0.2 -2,-0.2 0.943 108.2 50.0 -65.0 -44.6 22.2 7.7 64.8 113 117 A I H >X S+ 0 0 55 -4,-2.6 4,-1.6 1,-0.2 3,-1.0 0.943 107.9 55.0 -57.2 -42.7 19.4 6.7 67.1 114 118 A Y H 3X>S+ 0 0 25 -4,-1.6 4,-3.0 1,-0.3 5,-1.9 0.834 103.5 53.1 -62.3 -35.9 21.4 7.9 70.1 115 119 A T H 3<5S+ 0 0 8 -4,-1.9 -1,-0.3 1,-0.2 -2,-0.2 0.746 112.5 47.0 -69.8 -23.9 21.9 11.4 68.6 116 120 A W H <<5S+ 0 0 99 -4,-1.1 -2,-0.2 -3,-1.0 -1,-0.2 0.707 125.2 29.0 -86.6 -23.8 18.1 11.5 68.2 117 121 A T H <5S- 0 0 89 -4,-1.6 -2,-0.2 2,-0.2 -3,-0.2 0.826 135.0 -6.1-108.4 -35.6 17.4 10.3 71.7 118 122 A K T <5S+ 0 0 82 -4,-3.0 2,-0.4 1,-0.2 -3,-0.2 0.740 122.8 25.4-129.8 -51.0 20.2 11.3 74.2 119 123 A N > < - 0 0 30 -5,-1.9 3,-1.5 1,-0.1 -1,-0.2 -0.942 49.8-166.5-131.3 107.4 23.3 13.0 72.8 120 124 A R T 3 S+ 0 0 53 -2,-0.4 -5,-0.1 1,-0.3 -1,-0.1 0.708 91.6 54.7 -60.8 -24.1 23.1 14.9 69.5 121 125 A M T 3 S+ 0 0 79 -7,-0.1 -1,-0.3 -53,-0.1 -54,-0.1 0.139 75.4 131.4-100.3 18.5 26.9 15.0 69.3 122 126 A W < + 0 0 10 -3,-1.5 -55,-1.1 -11,-0.1 -7,-0.1 -0.453 23.4 167.9 -71.3 146.7 27.4 11.2 69.5 123 127 A R + 0 0 17 -57,-0.2 -57,-1.4 2,-0.1 -1,-0.1 0.622 46.3 69.6-127.1 -45.2 29.8 9.9 66.8 124 128 A K S S- 0 0 1 -59,-0.2 -58,-0.3 1,-0.2 14,-0.2 0.098 86.8 -86.8 -72.5-174.5 30.8 6.3 67.6 125 129 A T - 0 0 0 12,-2.3 -1,-0.2 -14,-0.1 -2,-0.1 -0.128 36.8-118.9 -79.2-173.3 28.9 3.0 67.6 126 130 A R + 0 0 41 10,-0.1 -1,-0.0 9,-0.0 -2,-0.0 0.176 63.8 129.2-119.6 23.3 27.0 2.0 70.7 127 131 A S - 0 0 7 10,-0.1 9,-2.9 1,-0.1 2,-0.2 -0.260 58.3-111.0 -75.6 159.2 28.7 -1.3 71.6 128 132 A T B -H 135 0B 93 7,-0.2 2,-0.4 -90,-0.1 7,-0.1 -0.531 24.1-144.5 -87.6 159.0 30.0 -2.0 75.1 129 133 A N > - 0 0 20 5,-0.5 3,-1.1 3,-0.4 5,-0.0 -0.963 22.8-108.3-126.7 139.7 33.7 -2.3 75.9 130 134 A A T 3 S+ 0 0 102 -2,-0.4 4,-0.1 1,-0.2 3,-0.1 -0.327 97.6 14.8 -67.8 148.4 35.2 -4.7 78.4 131 135 A G T 3 S+ 0 0 93 1,-0.1 2,-0.3 2,-0.0 -1,-0.2 0.691 118.2 67.5 64.8 18.0 36.6 -3.4 81.7 132 136 A T S < S- 0 0 43 -3,-1.1 -3,-0.4 2,-0.1 -1,-0.1 -0.982 70.4-136.4-161.2 158.9 34.8 -0.0 81.4 133 137 A T S S+ 0 0 58 206,-0.4 207,-0.1 -2,-0.3 -1,-0.1 0.536 72.9 114.6 -89.7 -15.9 31.5 1.7 81.3 134 138 A b - 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