==== 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 15-JUN-99 1CQD . COMPND 2 MOLECULE: PROTEIN (PROTEASE II); . SOURCE 2 ORGANISM_SCIENTIFIC: ZINGIBER OFFICINALE; . AUTHOR K.H.CHOI,R.A.LAURSEN,K.N.ALLEN . 864 4 12 12 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 35573.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 510 59.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 20 2.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 156 18.1 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 4 0.5 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-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 . 60 6.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 68 7.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 168 19.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 12 1.4 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 0 0 4 4 0 0 4 0 0 0 0 0 0 4 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 0 0 PARALLEL BRIDGES PER LADDER . 20 4 0 4 8 0 4 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 0 4 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 3 A L 0 0 114 0, 0.0 122,-0.1 0, 0.0 121,-0.0 0.000 360.0 360.0 360.0 136.3 45.2 6.5 57.8 2 4 A P - 0 0 61 0, 0.0 3,-0.1 0, 0.0 124,-0.0 -0.274 360.0-126.2 -62.5 152.1 44.6 4.8 61.2 3 5 A D S S+ 0 0 149 1,-0.2 2,-0.3 165,-0.0 0, 0.0 0.805 91.6 0.3 -67.8 -29.0 41.4 2.6 61.5 4 6 A S - 0 0 73 163,-0.1 2,-0.3 122,-0.0 163,-0.2 -0.986 64.6-172.3-156.2 158.1 40.5 4.7 64.5 5 7 A I E -A 166 0A 23 161,-2.7 161,-2.3 -2,-0.3 2,-0.3 -0.979 8.1-171.3-157.1 142.8 41.7 7.6 66.6 6 8 A D E >> -A 165 0A 20 -2,-0.3 4,-1.4 159,-0.2 3,-0.7 -0.844 5.3-170.7-140.4 100.1 40.7 9.4 69.8 7 9 A W T 34>S+ 0 0 28 157,-2.7 5,-3.0 -2,-0.3 6,-0.4 0.687 88.4 65.2 -63.7 -17.6 42.5 12.6 70.7 8 10 A R T >45S+ 0 0 91 156,-0.4 3,-1.2 3,-0.2 5,-0.3 0.917 104.2 44.5 -69.4 -42.8 40.9 12.4 74.1 9 11 A E T <45S+ 0 0 162 -3,-0.7 -2,-0.2 1,-0.3 -1,-0.2 0.806 108.5 58.2 -69.6 -29.6 42.9 9.3 74.9 10 12 A N T 3<5S- 0 0 79 -4,-1.4 -1,-0.3 1,-0.0 -2,-0.2 0.448 118.3-115.1 -79.3 -0.4 45.9 11.0 73.4 11 13 A G T < 5S+ 0 0 32 -3,-1.2 -3,-0.2 -5,-0.2 -2,-0.1 0.746 83.4 118.0 74.3 26.3 45.5 13.7 76.0 12 14 A A < + 0 0 0 -5,-3.0 2,-0.4 152,-0.1 -4,-0.2 0.218 57.0 77.2-108.0 14.9 44.7 16.6 73.5 13 15 A V - 0 0 22 -6,-0.4 3,-0.1 -5,-0.3 -2,-0.1 -0.985 64.3-147.6-131.6 129.1 41.2 17.4 74.8 14 16 A V - 0 0 9 -2,-0.4 3,-0.1 1,-0.2 -2,-0.0 -0.517 46.8 -72.0 -86.8 158.2 40.1 19.3 77.9 15 17 A P - 0 0 93 0, 0.0 -1,-0.2 0, 0.0 174,-0.1 -0.001 64.2 -83.5 -46.7 153.3 36.8 18.4 79.7 16 18 A V - 0 0 10 172,-0.2 167,-0.2 -3,-0.1 2,-0.2 -0.340 49.4-155.8 -62.5 138.4 33.5 19.2 78.0 17 19 A K - 0 0 33 162,-0.3 165,-2.0 165,-0.2 2,-0.4 -0.579 10.2-126.6-110.7 174.6 32.3 22.8 78.5 18 20 A N B -I 181 0B 89 163,-0.2 163,-0.2 -2,-0.2 3,-0.1 -0.964 8.2-165.5-130.1 116.0 28.9 24.5 78.5 19 21 A Q > - 0 0 16 161,-2.7 3,-1.0 -2,-0.4 162,-0.1 0.641 33.2-163.7 -71.3 -14.9 28.2 27.5 76.3 20 22 A G T 3 - 0 0 45 160,-0.3 -1,-0.2 1,-0.2 4,-0.1 -0.313 57.2 -22.0 66.4-147.9 25.0 28.1 78.3 21 23 A G T 3 S+ 0 0 92 -3,-0.1 2,-0.5 70,-0.1 -1,-0.2 0.084 112.5 103.4 -85.2 25.4 22.3 30.4 76.9 22 24 A a S < S- 0 0 4 -3,-1.0 2,-2.5 70,-0.1 42,-0.1 -0.922 74.2-132.2-111.7 130.6 24.9 32.1 74.7 23 25 A G B +j 64 0C 30 40,-1.7 42,-1.1 -2,-0.5 3,-0.2 -0.391 68.6 119.9 -77.9 65.7 25.1 31.4 70.9 24 26 A S >> + 0 0 0 -2,-2.5 4,-1.8 1,-0.1 3,-0.9 -0.009 18.1 125.9-118.8 28.5 28.9 31.0 71.0 25 27 A C H 3> S+ 0 0 19 1,-0.3 4,-2.4 2,-0.2 5,-0.2 0.872 74.5 59.4 -53.4 -38.0 29.2 27.4 69.8 26 28 A W H 3> S+ 0 0 1 1,-0.2 4,-2.0 2,-0.2 -1,-0.3 0.865 104.1 50.0 -59.0 -37.8 31.6 28.7 67.1 27 29 A A H <> S+ 0 0 0 -3,-0.9 4,-2.3 2,-0.2 -1,-0.2 0.889 111.1 48.4 -68.7 -40.2 33.9 30.1 69.8 28 30 A F H X S+ 0 0 14 -4,-1.8 4,-2.3 2,-0.2 -2,-0.2 0.860 111.0 50.6 -68.6 -36.4 33.9 26.7 71.7 29 31 A S H X S+ 0 0 2 -4,-2.4 4,-1.9 -5,-0.2 -2,-0.2 0.912 111.8 48.0 -67.1 -42.8 34.6 24.8 68.4 30 32 A T H X S+ 0 0 0 -4,-2.0 4,-2.2 -5,-0.2 -2,-0.2 0.931 112.6 48.1 -62.9 -47.2 37.5 27.1 67.7 31 33 A V H X S+ 0 0 0 -4,-2.3 4,-3.1 1,-0.2 5,-0.2 0.909 109.3 52.7 -61.1 -45.6 39.0 26.8 71.2 32 34 A A H X S+ 0 0 10 -4,-2.3 4,-1.9 1,-0.2 -1,-0.2 0.917 110.7 48.0 -57.7 -44.9 38.7 23.0 71.2 33 35 A A H X S+ 0 0 0 -4,-1.9 4,-2.2 2,-0.2 -1,-0.2 0.904 114.0 46.1 -63.6 -42.6 40.6 22.8 67.9 34 36 A V H X S+ 0 0 0 -4,-2.2 4,-2.2 1,-0.2 5,-0.2 0.901 109.8 53.5 -67.6 -41.3 43.3 25.2 69.1 35 37 A E H X S+ 0 0 3 -4,-3.1 4,-1.6 1,-0.2 11,-0.3 0.877 111.0 49.8 -60.2 -36.9 43.6 23.4 72.5 36 38 A G H X S+ 0 0 0 -4,-1.9 4,-2.2 -5,-0.2 -2,-0.2 0.950 110.7 44.6 -68.3 -51.8 44.1 20.2 70.5 37 39 A I H X S+ 0 0 11 -4,-2.2 4,-2.0 1,-0.2 5,-0.2 0.841 111.4 55.2 -63.5 -33.9 46.8 21.4 68.1 38 40 A N H X>S+ 0 0 8 -4,-2.2 4,-3.5 2,-0.2 5,-0.6 0.930 110.4 44.5 -65.4 -44.9 48.8 23.1 70.9 39 41 A Q H X5S+ 0 0 34 -4,-1.6 4,-1.6 3,-0.2 -2,-0.2 0.891 112.7 52.0 -65.9 -40.0 49.0 19.9 72.9 40 42 A I H <5S+ 0 0 58 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.872 120.3 34.6 -64.3 -36.5 49.9 17.9 69.9 41 43 A V H <5S+ 0 0 66 -4,-2.0 -2,-0.2 -5,-0.2 -1,-0.2 0.849 136.2 19.6 -87.7 -38.2 52.7 20.3 69.1 42 44 A T H <5S- 0 0 63 -4,-3.5 -3,-0.2 -5,-0.2 -2,-0.2 0.675 91.2-127.5-106.7 -22.5 53.9 21.3 72.6 43 45 A G S < + 0 0 0 33,-2.3 4,-0.7 -2,-0.2 33,-0.1 -0.653 28.8 175.6 -84.9 120.4 39.2 31.3 76.5 50 52 A E H > S+ 0 0 2 -2,-0.5 4,-2.4 2,-0.2 -1,-0.2 0.789 83.8 62.3 -85.7 -32.4 36.0 31.3 74.5 51 53 A Q H > S+ 0 0 0 36,-0.4 4,-3.2 1,-0.2 5,-0.3 0.895 97.6 55.2 -60.2 -43.7 34.9 34.6 76.0 52 54 A Q H > S+ 0 0 2 35,-0.4 4,-2.8 1,-0.2 -1,-0.2 0.917 110.8 46.3 -56.8 -42.8 37.9 36.4 74.5 53 55 A L H X S+ 0 0 0 -4,-0.7 4,-2.6 2,-0.2 -2,-0.2 0.911 112.4 50.3 -65.2 -43.1 36.9 35.2 71.1 54 56 A V H < S+ 0 0 9 -4,-2.4 8,-0.2 1,-0.2 -2,-0.2 0.914 118.5 38.1 -61.4 -44.3 33.3 36.2 71.8 55 57 A D H < S+ 0 0 19 -4,-3.2 41,-0.5 -5,-0.1 -2,-0.2 0.826 126.3 35.3 -77.3 -32.9 34.3 39.7 72.9 56 58 A b H < S+ 0 0 7 -4,-2.8 2,-2.1 -5,-0.3 -3,-0.2 0.650 82.0 96.7-101.7 -17.0 37.1 40.2 70.3 57 59 A T >< - 0 0 7 -4,-2.6 3,-1.9 -5,-0.2 5,-0.4 -0.535 51.9-175.7 -76.6 85.4 36.1 38.5 67.0 58 60 A T T 3 S+ 0 0 141 -2,-2.1 -1,-0.2 1,-0.3 13,-0.1 0.707 77.0 57.5 -54.4 -27.3 34.8 41.7 65.4 59 61 A A T 3 S+ 0 0 70 11,-0.1 -1,-0.3 -3,-0.1 2,-0.1 0.663 102.7 66.9 -80.4 -16.0 33.6 39.9 62.3 60 62 A N S < S- 0 0 16 -3,-1.9 6,-0.2 6,-0.1 8,-0.0 -0.396 84.8-123.0 -96.3 177.6 31.4 37.6 64.4 61 63 A H > - 0 0 134 4,-2.7 3,-2.8 1,-0.3 5,-0.1 -0.118 33.4-137.8-116.0 37.4 28.3 38.4 66.4 62 64 A G T > S+ 0 0 5 -5,-0.4 3,-1.5 1,-0.3 -1,-0.3 -0.175 85.1 3.2 48.7-124.4 29.3 37.2 69.9 63 65 A a T 3 S+ 0 0 28 1,-0.3 -40,-1.7 -39,-0.1 -1,-0.3 0.453 129.0 66.6 -71.7 0.5 26.4 35.4 71.6 64 66 A R B < S-j 23 0C 220 -3,-2.8 -1,-0.3 1,-0.4 -2,-0.2 0.245 115.4 -84.0-106.0 13.8 24.4 35.9 68.4 65 67 A G < + 0 0 21 -3,-1.5 -4,-2.7 -42,-1.1 -1,-0.4 -0.364 50.1 170.6 112.6 168.3 26.5 33.6 66.2 66 68 A G - 0 0 27 -6,-0.2 2,-0.3 -5,-0.1 -40,-0.1 -0.942 32.0 -88.6 165.8 176.3 29.6 33.5 64.1 67 69 A W > - 0 0 120 -2,-0.3 4,-0.7 1,-0.1 -8,-0.1 -0.744 24.8-127.8-111.1 161.0 32.0 31.4 62.2 68 70 A M H > S+ 0 0 5 -2,-0.3 4,-2.4 2,-0.2 3,-0.5 0.894 101.3 60.9 -73.6 -43.1 35.2 29.6 63.3 69 71 A N H > S+ 0 0 42 1,-0.3 4,-2.7 2,-0.2 5,-0.2 0.891 101.7 51.8 -54.2 -46.0 37.6 30.9 60.7 70 72 A P H > S+ 0 0 37 0, 0.0 4,-1.6 0, 0.0 -1,-0.3 0.867 111.4 50.4 -60.4 -31.7 37.2 34.6 61.7 71 73 A A H X S+ 0 0 0 -4,-0.7 4,-2.1 -3,-0.5 -2,-0.2 0.908 108.1 50.5 -70.0 -43.4 37.9 33.4 65.3 72 74 A F H X S+ 0 0 0 -4,-2.4 4,-1.9 1,-0.2 -1,-0.2 0.908 109.2 54.1 -59.5 -41.4 41.1 31.6 64.1 73 75 A Q H X S+ 0 0 69 -4,-2.7 4,-3.0 1,-0.2 -1,-0.2 0.868 105.1 52.3 -61.2 -39.9 42.0 34.8 62.3 74 76 A F H X S+ 0 0 28 -4,-1.6 4,-3.8 2,-0.2 6,-0.3 0.945 107.2 51.6 -62.5 -48.2 41.7 36.8 65.6 75 77 A I H X>S+ 0 0 0 -4,-2.1 5,-2.2 1,-0.2 4,-0.6 0.888 112.8 46.8 -55.1 -40.3 44.0 34.4 67.4 76 78 A V H ><5S+ 0 0 44 -4,-1.9 3,-0.7 2,-0.2 -1,-0.2 0.941 115.2 45.1 -66.6 -47.7 46.5 34.9 64.6 77 79 A N H 3<5S+ 0 0 119 -4,-3.0 -2,-0.2 1,-0.2 -1,-0.2 0.882 113.8 49.5 -62.9 -40.7 46.1 38.7 64.7 78 80 A N H 3<5S- 0 0 47 -4,-3.8 -1,-0.2 -5,-0.2 -2,-0.2 0.572 110.7-120.7 -76.7 -10.2 46.2 38.8 68.5 79 81 A G T <<5S- 0 0 49 -3,-0.7 2,-0.3 -4,-0.6 -3,-0.2 0.702 79.1 -17.1 76.7 17.9 49.4 36.7 68.5 80 82 A G S -K 48 0D 15 19,-0.4 4,-1.5 -35,-0.3 -35,-0.3 -0.462 30.4-111.7 -82.3 159.4 43.7 30.9 79.0 84 86 A E T 4 S+ 0 0 27 -37,-3.1 -36,-0.2 1,-0.2 5,-0.1 0.867 116.4 53.3 -58.3 -36.7 40.3 30.0 80.2 85 87 A E T 4 S+ 0 0 157 -38,-0.4 -1,-0.2 1,-0.2 -37,-0.1 0.884 109.0 44.1 -68.6 -42.4 41.3 31.1 83.7 86 88 A T T 4 S+ 0 0 67 1,-0.3 -1,-0.2 -3,-0.1 -2,-0.2 0.709 128.1 29.4 -77.5 -21.2 42.6 34.6 82.9 87 89 A Y S < S- 0 0 13 -4,-1.5 -36,-0.4 14,-0.0 -35,-0.4 -0.597 91.0-165.0-137.5 70.8 39.6 35.4 80.6 88 90 A P - 0 0 74 0, 0.0 2,-0.3 0, 0.0 -3,-0.1 -0.069 26.5 -95.9 -58.9 156.4 36.7 33.3 82.1 89 91 A Y + 0 0 55 1,-0.1 -40,-0.0 -5,-0.1 -5,-0.0 -0.587 38.0 172.5 -78.3 130.0 33.5 32.5 80.3 90 92 A R - 0 0 105 -2,-0.3 -1,-0.1 2,-0.2 3,-0.1 0.603 39.4-130.6-109.1 -21.8 30.5 34.8 81.1 91 93 A G S S+ 0 0 21 1,-0.2 2,-0.3 -71,-0.1 -70,-0.1 0.802 75.9 80.9 75.0 28.0 28.1 33.5 78.5 92 94 A Q S S- 0 0 120 -70,-0.1 -1,-0.2 -68,-0.0 -2,-0.2 -0.981 88.5 -82.9-161.3 152.3 27.2 37.0 77.2 93 95 A D + 0 0 81 -2,-0.3 2,-0.3 -32,-0.1 -38,-0.1 -0.189 54.6 163.9 -55.8 147.8 28.6 39.7 74.9 94 96 A G - 0 0 34 -43,-0.1 2,-0.3 -40,-0.1 -1,-0.0 -0.948 42.0 -75.3-157.1 173.6 31.2 42.0 76.4 95 97 A I - 0 0 151 -2,-0.3 2,-1.0 1,-0.1 -39,-0.1 -0.609 52.2-106.9 -80.3 135.2 33.9 44.5 75.6 96 98 A b - 0 0 60 -41,-0.5 2,-0.9 -2,-0.3 -1,-0.1 -0.476 39.6-142.0 -62.5 101.7 37.1 43.0 74.2 97 99 A N + 0 0 68 -2,-1.0 3,-0.3 1,-0.2 4,-0.2 -0.586 28.8 174.8 -75.0 105.4 39.3 43.5 77.3 98 100 A S S S+ 0 0 98 -2,-0.9 3,-0.3 1,-0.2 -1,-0.2 0.684 75.8 68.8 -81.0 -19.5 42.8 44.6 76.2 99 101 A T S S+ 0 0 132 1,-0.2 -1,-0.2 -3,-0.1 -2,-0.1 0.803 105.8 39.2 -68.3 -30.7 43.8 45.1 79.8 100 102 A V S S+ 0 0 48 -3,-0.3 -1,-0.2 -18,-0.0 -2,-0.2 0.441 84.3 131.5 -98.8 -2.5 43.6 41.3 80.5 101 103 A N + 0 0 59 -3,-0.3 -3,-0.1 -4,-0.2 -20,-0.0 -0.317 15.5 143.4 -56.4 122.9 45.1 40.3 77.2 102 104 A A - 0 0 53 -2,-0.1 -19,-0.4 -19,-0.1 -21,-0.1 -0.418 36.0-151.2-163.0 74.8 47.8 37.7 77.8 103 105 A P + 0 0 53 0, 0.0 -21,-0.3 0, 0.0 3,-0.1 -0.232 20.6 173.2 -54.9 132.8 48.0 35.0 75.1 104 106 A V S S+ 0 0 79 -23,-2.6 2,-0.4 1,-0.3 -22,-0.2 0.585 70.4 43.0-112.6 -23.4 49.3 31.7 76.3 105 107 A V B -L 81 0E 2 -24,-1.5 -24,-2.6 2,-0.0 2,-0.3 -0.992 68.1-178.1-129.9 130.0 48.6 29.7 73.1 106 108 A S - 0 0 48 -2,-0.4 2,-0.3 -26,-0.3 -30,-0.1 -0.870 9.7-158.6-126.3 158.9 49.3 30.9 69.6 107 109 A I - 0 0 10 -2,-0.3 108,-0.2 -32,-0.2 -28,-0.1 -0.927 15.8-145.0-132.6 156.7 48.8 29.5 66.1 108 110 A D S S- 0 0 85 106,-2.5 2,-0.3 -2,-0.3 107,-0.2 0.797 72.8 -38.1 -91.8 -32.8 50.4 30.4 62.7 109 111 A S E -B 214 0A 53 105,-2.2 105,-4.1 2,-0.0 2,-0.3 -0.885 52.4-121.8-167.4-165.1 47.4 29.9 60.4 110 112 A Y E -B 213 0A 54 103,-0.3 2,-0.3 -2,-0.3 -41,-0.0 -0.977 17.4-155.3-157.6 150.8 44.4 27.8 59.7 111 113 A E E -B 212 0A 84 101,-2.9 101,-2.7 -2,-0.3 2,-0.3 -0.952 15.4-124.2-135.7 154.9 43.1 25.7 56.8 112 114 A N E -B 211 0A 102 -2,-0.3 99,-0.3 99,-0.3 97,-0.0 -0.710 27.4-125.5 -93.5 144.6 39.8 24.5 55.4 113 115 A V - 0 0 10 97,-3.4 97,-0.4 -2,-0.3 8,-0.1 -0.756 38.1 -97.5 -89.8 133.0 39.3 20.8 54.8 114 116 A P - 0 0 87 0, 0.0 3,-0.3 0, 0.0 7,-0.2 -0.319 53.7-129.2 -51.2 119.7 38.3 19.9 51.2 115 117 A S S S+ 0 0 57 1,-0.2 93,-0.2 93,-0.1 86,-0.1 0.002 78.1 35.4 -69.7 174.3 34.5 19.6 51.6 116 118 A H S S+ 0 0 97 91,-0.8 2,-0.2 85,-0.1 -1,-0.2 0.818 94.7 100.5 50.3 39.1 32.1 16.9 50.5 117 119 A N > - 0 0 69 -3,-0.3 4,-2.1 90,-0.2 3,-0.3 -0.739 48.8-172.5-155.4 100.5 34.6 14.2 51.3 118 120 A E H > S+ 0 0 16 1,-0.2 4,-2.1 -2,-0.2 5,-0.1 0.763 92.2 59.3 -63.6 -25.4 34.5 12.1 54.5 119 121 A Q H > S+ 0 0 104 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.895 105.9 47.5 -69.7 -40.0 37.9 10.6 53.5 120 122 A S H > S+ 0 0 33 -3,-0.3 4,-1.9 2,-0.2 -2,-0.2 0.919 112.4 49.0 -65.7 -44.5 39.4 14.1 53.5 121 123 A L H X S+ 0 0 2 -4,-2.1 4,-2.7 1,-0.2 -2,-0.2 0.889 109.5 53.0 -62.5 -39.6 37.9 14.9 56.8 122 124 A Q H X S+ 0 0 17 -4,-2.1 4,-2.0 1,-0.2 -1,-0.2 0.891 106.5 52.3 -63.1 -40.6 39.2 11.6 58.2 123 125 A K H < S+ 0 0 135 -4,-2.0 4,-0.4 1,-0.2 -1,-0.2 0.895 112.2 46.4 -62.3 -40.0 42.7 12.5 57.1 124 126 A A H >X S+ 0 0 12 -4,-1.9 4,-1.5 1,-0.2 3,-1.2 0.911 111.9 49.3 -68.6 -44.4 42.5 15.8 58.9 125 127 A V H 3< S+ 0 0 0 -4,-2.7 -2,-0.2 1,-0.3 -1,-0.2 0.821 101.9 63.9 -65.1 -31.3 41.0 14.3 62.1 126 128 A A T 3< S+ 0 0 14 -4,-2.0 -1,-0.3 1,-0.2 -2,-0.2 0.700 110.6 39.1 -65.9 -18.2 43.8 11.7 62.0 127 129 A N T <4 S- 0 0 99 -3,-1.2 -2,-0.2 -4,-0.4 -1,-0.2 0.704 132.7 -24.0-102.5 -26.7 46.2 14.6 62.5 128 130 A Q S < S- 0 0 20 -4,-1.5 -1,-0.4 35,-0.1 37,-0.1 -0.963 79.1 -68.9-176.9 161.2 44.3 16.8 64.9 129 131 A P - 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