==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=28-JUN-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE/HYDROLASE INHIBITOR 15-APR-13 4K5Z . COMPND 2 MOLECULE: CHYMASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR B.K.COLLINS,A.K.PADYANA . 220 2 3 3 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10871.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 144 65.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 75 34.1 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 1.8 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 . 1 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 . 20 9.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 27 12.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 12 5.5 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+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 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 PARALLEL BRIDGES PER LADDER . 2 3 1 5 1 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 1 1 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 16 A I 0 0 1 0, 0.0 2,-0.5 0, 0.0 3,-0.5 0.000 360.0 360.0 360.0 121.6 66.6 58.5 6.2 2 17 A I B +A 171 0A 19 169,-3.3 169,-2.0 1,-0.2 125,-0.1 -0.835 360.0 3.4 -95.8 124.5 66.4 62.2 7.4 3 18 A G S S+ 0 0 49 -2,-0.5 -1,-0.2 123,-0.4 167,-0.1 0.770 99.6 129.9 80.7 26.9 65.9 62.9 11.1 4 19 A G - 0 0 25 -3,-0.5 2,-0.3 135,-0.1 135,-0.2 -0.330 54.8-113.7-104.6-174.2 66.1 59.3 12.2 5 20 A T E -B 138 0B 107 133,-2.4 133,-2.2 -2,-0.1 2,-0.2 -0.924 33.3-104.9-120.1 144.1 68.0 57.2 14.9 6 21 A E E -B 137 0B 103 -2,-0.3 131,-0.2 131,-0.2 2,-0.1 -0.538 43.3-125.7 -65.0 132.0 70.6 54.5 14.2 7 22 A C - 0 0 12 129,-2.6 129,-0.1 -2,-0.2 3,-0.1 -0.408 24.9 -97.3 -75.5 155.9 68.9 51.2 14.9 8 23 A K > - 0 0 160 1,-0.1 3,-2.1 -2,-0.1 4,-0.2 -0.619 64.7 -85.5 -65.9 128.7 70.3 48.6 17.3 9 24 A P T 3 S+ 0 0 64 0, 0.0 -1,-0.1 0, 0.0 49,-0.1 -0.095 107.7 0.8 -47.7 127.8 72.2 46.2 15.0 10 25 A H T 3 S+ 0 0 46 47,-0.3 48,-0.1 2,-0.1 -2,-0.0 0.543 85.6 126.7 72.0 13.7 69.9 43.5 13.5 11 26 A S S < S+ 0 0 43 -3,-2.1 -1,-0.1 1,-0.3 3,-0.1 0.528 76.2 50.1 -77.5 -3.9 66.7 44.7 15.2 12 27 A R S > S+ 0 0 55 -4,-0.2 3,-2.3 92,-0.1 -1,-0.3 -0.596 71.2 171.8-127.1 71.1 65.0 44.8 11.7 13 28 A P T 3 S+ 0 0 38 0, 0.0 93,-1.3 0, 0.0 43,-0.3 0.577 70.7 60.4 -68.3 -10.3 66.0 41.3 10.4 14 29 A Y T 3 S+ 0 0 19 91,-0.2 20,-2.7 93,-0.1 94,-0.2 0.536 77.6 117.2 -88.4 -9.5 63.9 41.5 7.2 15 30 A M E < -I 33 0C 5 -3,-2.3 41,-0.6 18,-0.2 2,-0.4 -0.355 47.9-161.5 -66.9 137.9 65.7 44.6 5.9 16 31 A A E -IJ 32 55C 0 16,-2.6 16,-0.7 25,-0.1 2,-0.5 -0.945 10.7-148.6-121.9 141.7 67.5 44.1 2.6 17 32 A Y E -IJ 31 54C 35 37,-2.4 37,-2.6 -2,-0.4 2,-0.5 -0.952 20.0-156.3-112.7 120.9 70.3 46.2 1.1 18 33 A L E -IJ 30 53C 0 12,-2.7 12,-1.6 -2,-0.5 2,-0.6 -0.836 13.9-166.2-107.2 128.4 70.3 46.3 -2.7 19 34 A E E -IJ 29 52C 79 33,-2.5 33,-2.2 -2,-0.5 2,-0.5 -0.966 18.0-160.8-109.2 116.7 73.2 47.1 -5.0 20 35 A I E -IJ 28 51C 4 8,-3.1 8,-2.3 -2,-0.6 2,-0.4 -0.867 2.6-154.8-107.3 125.2 71.8 47.6 -8.5 21 36 A V E - J 0 50C 57 29,-3.2 28,-2.3 -2,-0.5 29,-1.4 -0.783 10.0-173.5 -96.3 135.2 74.0 47.4 -11.6 22 36AA T E > -I 25 0C 34 3,-0.6 3,-0.7 -2,-0.4 26,-0.0 -0.929 30.7-124.3-121.0 156.9 73.3 49.3 -14.9 23 36BA S T 3 S+ 0 0 112 -2,-0.3 -1,-0.1 1,-0.2 25,-0.0 0.809 106.6 35.9 -61.6 -32.7 75.1 49.0 -18.3 24 36CA N T 3 S+ 0 0 150 2,-0.1 -1,-0.2 -3,-0.0 -3,-0.0 0.264 116.7 33.2-114.0 6.5 75.8 52.7 -18.6 25 37 A G E < S-I 22 0C 34 -3,-0.7 -3,-0.6 1,-0.0 3,-0.1 -0.969 83.4 -81.2-155.1 169.1 76.6 53.9 -15.1 26 38 A P E - 0 0 114 0, 0.0 -4,-0.1 0, 0.0 -2,-0.1 -0.116 68.3 -65.3 -65.5 171.2 78.1 53.1 -11.7 27 39 A S E - 0 0 47 -6,-0.1 2,-0.3 1,-0.0 -6,-0.2 -0.175 47.4-159.3 -54.8 148.2 76.2 51.1 -9.0 28 40 A K E -I 20 0C 135 -8,-2.3 -8,-3.1 -3,-0.1 2,-0.3 -0.829 9.2-138.5-122.4 170.4 73.0 52.5 -7.4 29 41 A F E +I 19 0C 84 -2,-0.3 2,-0.3 -10,-0.2 148,-0.2 -0.952 22.4 162.9-137.2 146.0 71.4 51.5 -4.1 30 42 A a E -I 18 0C 10 -12,-1.6 -12,-2.7 -2,-0.3 148,-0.2 -0.928 30.1-114.9-145.1 170.6 68.0 50.8 -2.6 31 43 A G E +I 17 0C 1 146,-3.1 12,-0.4 -2,-0.3 2,-0.3 -0.460 33.5 162.1 -96.9-177.3 66.2 49.2 0.3 32 44 A G E -I 16 0C 0 -16,-0.7 -16,-2.6 -2,-0.2 2,-0.3 -0.936 27.0-121.5 177.6 172.9 63.9 46.2 0.2 33 45 A F E -IK 15 41C 0 8,-2.1 8,-2.8 -2,-0.3 2,-0.6 -1.000 20.0-116.9-143.8 144.7 62.4 43.6 2.6 34 46 A L E + K 0 40C 0 -20,-2.7 74,-2.9 -2,-0.3 6,-0.2 -0.660 36.2 163.1 -80.8 116.2 62.4 39.8 2.8 35 47 A I E S+ 0 0 1 4,-2.2 2,-0.3 -2,-0.6 75,-0.3 0.609 72.8 16.7-109.9 -18.3 58.9 38.5 2.5 36 48 A R E > S- K 0 39C 100 3,-1.6 3,-1.7 73,-0.1 -1,-0.3 -0.936 91.8-100.9-141.1 162.3 59.7 34.8 1.7 37 49 A R T 3 S+ 0 0 111 -2,-0.3 62,-2.9 1,-0.3 60,-0.1 0.796 125.8 28.8 -60.1 -23.9 63.1 33.1 2.1 38 50 A N T 3 S+ 0 0 28 60,-0.3 57,-2.5 58,-0.1 2,-0.4 0.100 111.4 77.0-120.8 22.3 63.7 33.6 -1.6 39 51 A F E < -KL 36 94C 4 -3,-1.7 -4,-2.2 55,-0.2 -3,-1.6 -0.987 50.7-171.6-135.6 131.5 61.7 36.8 -2.3 40 52 A V E -KL 34 93C 0 53,-2.2 53,-2.8 -2,-0.4 2,-0.4 -0.950 14.6-145.9-116.2 135.7 62.5 40.5 -1.6 41 53 A L E +KL 33 92C 0 -8,-2.8 -8,-2.1 -2,-0.4 2,-0.2 -0.840 35.8 139.6 -99.4 138.9 59.9 43.3 -2.1 42 54 A T E - L 0 91C 0 49,-2.4 49,-2.2 -2,-0.4 2,-0.3 -0.803 52.0 -60.4-156.3-167.6 61.2 46.7 -3.2 43 55 A A > - 0 0 0 -12,-0.4 3,-1.8 47,-0.3 47,-0.3 -0.714 35.1-130.7 -92.9 144.1 60.4 49.6 -5.6 44 56 A A G > S+ 0 0 1 -2,-0.3 3,-1.6 1,-0.3 -1,-0.1 0.785 105.8 64.7 -61.9 -28.5 60.1 49.1 -9.4 45 57 A H G 3 S+ 0 0 73 1,-0.3 -1,-0.3 41,-0.1 44,-0.0 0.592 88.7 69.9 -75.0 -4.5 62.4 52.1 -9.9 46 58 A a G < S+ 0 0 2 -3,-1.8 -1,-0.3 -15,-0.1 -2,-0.2 0.355 74.6 121.2 -89.0 4.2 65.2 50.1 -8.3 47 59 A A < + 0 0 27 -3,-1.6 2,-0.3 -4,-0.1 -27,-0.1 -0.271 32.8 153.1 -63.4 155.8 65.3 47.8 -11.3 48 60 A G - 0 0 21 1,-0.1 -26,-0.2 -26,-0.0 3,-0.1 -0.881 61.4 -72.7-162.9-169.5 68.6 47.4 -13.2 49 61 A R S S- 0 0 172 -28,-2.3 2,-0.3 1,-0.3 -27,-0.2 0.891 114.3 -9.6 -70.9 -36.5 70.6 45.1 -15.4 50 63 A S E -J 21 0C 53 -29,-1.4 -29,-3.2 -3,-0.0 2,-0.3 -0.985 65.6-152.2-157.7 158.1 71.3 43.0 -12.2 51 64 A I E -J 20 0C 5 21,-0.3 21,-1.2 -2,-0.3 2,-0.4 -0.977 3.4-159.0-135.0 141.1 70.9 43.2 -8.5 52 65 A T E -JM 19 71C 60 -33,-2.2 -33,-2.5 -2,-0.3 2,-0.4 -0.975 15.2-152.3-114.5 138.4 72.7 41.8 -5.4 53 66 A V E -JM 18 70C 0 17,-2.4 17,-3.4 -2,-0.4 2,-0.5 -0.916 4.2-161.4-109.7 133.7 70.9 41.6 -2.1 54 67 A T E -JM 17 69C 13 -37,-2.6 -37,-2.4 -2,-0.4 3,-0.3 -0.977 11.6-173.5-112.1 118.8 72.7 41.8 1.3 55 68 A L E +JM 16 68C 0 13,-2.8 13,-2.0 -2,-0.5 -39,-0.1 -0.707 64.5 34.5 -97.9 160.5 70.6 40.5 4.2 56 69 A G S S+ 0 0 3 -41,-0.6 2,-0.2 48,-0.4 -1,-0.2 0.582 83.8 144.8 75.7 11.5 71.7 40.7 7.9 57 70 A A + 0 0 8 -42,-0.3 -47,-0.3 -3,-0.3 -1,-0.2 -0.520 20.2 153.8 -84.6 147.2 73.5 44.0 7.5 58 71 A H S S+ 0 0 10 1,-0.3 2,-1.0 4,-0.2 78,-0.3 0.340 83.3 29.7-121.3 -74.1 73.8 46.9 9.9 59 72 A N S > S- 0 0 27 3,-0.2 3,-1.4 76,-0.2 -1,-0.3 -0.796 76.9-161.4 -84.3 107.8 77.0 48.8 9.1 60 73 A I T 3 S+ 0 0 24 74,-2.6 -1,-0.1 -2,-1.0 75,-0.1 0.494 83.5 59.7 -75.3 -3.5 77.1 48.1 5.4 61 74 A T T 3 S+ 0 0 93 73,-0.3 2,-0.6 1,-0.2 -1,-0.3 0.627 97.5 64.3 -97.7 -16.6 80.8 48.9 5.1 62 75 A E S < S- 0 0 122 -3,-1.4 -4,-0.2 72,-0.2 -3,-0.2 -0.902 79.0-140.0-114.7 108.0 82.0 46.2 7.6 63 77 A E + 0 0 151 -2,-0.6 2,-0.3 -3,-0.1 -3,-0.1 -0.351 30.2 168.9 -61.5 134.8 81.4 42.6 6.6 64 78 A E > - 0 0 64 -2,-0.1 3,-1.4 -8,-0.0 -1,-0.0 -0.885 49.5 -93.9-143.7 171.5 80.3 40.3 9.5 65 79 A D T 3 S+ 0 0 173 -2,-0.3 -2,-0.0 1,-0.3 -1,-0.0 0.713 116.2 65.5 -65.3 -20.8 79.0 36.8 10.0 66 79AA T T 3 S+ 0 0 35 -10,-0.1 -1,-0.3 2,-0.0 -9,-0.1 0.753 81.5 106.5 -71.7 -23.8 75.3 37.9 9.9 67 80 A W < - 0 0 40 -3,-1.4 2,-0.4 -11,-0.1 -11,-0.2 -0.275 45.1-177.5 -59.6 134.5 75.7 38.9 6.3 68 81 A Q E -M 55 0C 31 -13,-2.0 -13,-2.8 2,-0.0 2,-0.6 -0.945 9.3-162.9-129.3 114.1 74.2 36.9 3.5 69 82 A K E -M 54 0C 132 -2,-0.4 2,-0.4 -15,-0.2 -15,-0.2 -0.875 17.4-169.4 -98.8 116.9 75.0 38.2 0.1 70 83 A L E -M 53 0C 30 -17,-3.4 -17,-2.4 -2,-0.6 2,-0.2 -0.911 20.5-127.4-120.9 136.4 72.5 36.7 -2.3 71 84 A E E -M 52 0C 115 -2,-0.4 25,-2.8 -19,-0.2 2,-0.5 -0.486 20.2-138.9 -72.3 142.4 72.3 36.6 -6.1 72 85 A V E -N 95 0C 17 -21,-1.2 -21,-0.3 23,-0.3 23,-0.2 -0.921 17.5-175.0-100.0 125.2 69.0 37.8 -7.7 73 86 A I E + 0 0 69 21,-2.2 2,-0.4 -2,-0.5 -1,-0.1 0.879 66.4 14.5 -86.9 -38.3 68.1 35.5 -10.6 74 87 A K E -N 94 0C 116 20,-1.1 20,-2.5 2,-0.0 2,-0.5 -0.997 61.0-146.8-142.8 140.0 65.0 37.3 -11.9 75 88 A Q E -N 93 0C 55 -2,-0.4 2,-0.6 18,-0.2 18,-0.2 -0.925 7.2-162.8-106.2 131.9 63.4 40.7 -11.4 76 89 A F E -N 92 0C 21 16,-3.4 16,-2.3 -2,-0.5 2,-0.2 -0.772 12.9-176.3-115.1 82.8 59.6 41.0 -11.5 77 90 A R E -N 91 0C 140 -2,-0.6 14,-0.2 14,-0.2 12,-0.1 -0.551 42.4 -94.9 -75.3 142.8 58.9 44.7 -12.0 78 91 A H > - 0 0 23 12,-2.1 3,-1.6 10,-0.3 -1,-0.1 -0.385 33.2-131.7 -59.6 134.8 55.1 45.5 -12.0 79 92 A P T 3 S+ 0 0 103 0, 0.0 -1,-0.2 0, 0.0 -2,-0.1 0.766 103.3 49.1 -66.9 -22.9 54.1 45.5 -15.6 80 93 A K T 3 S+ 0 0 140 8,-0.1 7,-0.1 2,-0.1 -2,-0.1 0.312 73.6 138.9 -96.7 7.0 52.2 48.8 -15.4 81 94 A Y < - 0 0 38 -3,-1.6 2,-0.5 7,-0.2 7,-0.2 -0.304 41.0-153.9 -54.1 129.9 55.0 50.8 -13.6 82 95 A N > - 0 0 70 5,-1.8 4,-2.1 1,-0.1 5,-0.2 -0.950 17.9-157.1-119.6 122.4 55.0 54.2 -15.3 83 96 A T T 4 S+ 0 0 119 -2,-0.5 -1,-0.1 1,-0.2 -2,-0.1 0.533 95.0 46.2 -75.8 -4.9 58.1 56.3 -15.5 84 97 A S T 4 S+ 0 0 87 3,-0.1 -1,-0.2 70,-0.0 70,-0.1 0.851 125.5 24.2 -99.1 -53.8 56.0 59.4 -15.9 85 98 A T T 4 S- 0 0 27 2,-0.1 -2,-0.2 68,-0.0 3,-0.1 0.649 93.6-136.2 -85.4 -18.8 53.3 59.1 -13.3 86 99 A L >< + 0 0 49 -4,-2.1 3,-0.5 1,-0.2 -3,-0.1 0.575 48.4 158.0 69.2 12.5 55.4 56.8 -11.1 87 100 A H T 3 + 0 0 34 1,-0.2 -5,-1.8 -5,-0.2 -1,-0.2 -0.349 54.9 21.8 -66.2 147.5 52.3 54.6 -10.6 88 101 A H T 3 S+ 0 0 35 -7,-0.2 2,-2.2 1,-0.2 -10,-0.3 0.884 71.4 177.2 64.2 46.0 52.8 51.0 -9.5 89 102 A D < + 0 0 2 -3,-0.5 2,-0.3 -46,-0.1 -1,-0.2 -0.498 36.1 115.8 -81.1 73.2 56.3 51.5 -8.1 90 103 A I + 0 0 0 -2,-2.2 -12,-2.1 -47,-0.3 2,-0.3 -0.999 36.1 176.1-147.3 144.8 56.6 47.9 -6.9 91 104 A M E -LN 42 77C 0 -49,-2.2 -49,-2.4 -2,-0.3 2,-0.4 -0.992 18.6-146.0-150.2 137.5 58.9 45.0 -7.8 92 105 A L E -LN 41 76C 0 -16,-2.3 -16,-3.4 -2,-0.3 2,-0.5 -0.879 13.8-156.9-101.2 140.4 59.6 41.5 -6.6 93 106 A L E -LN 40 75C 0 -53,-2.8 -53,-2.2 -2,-0.4 2,-0.6 -0.971 6.2-148.3-115.9 126.1 63.1 40.0 -6.6 94 107 A K E -LN 39 74C 48 -20,-2.5 -21,-2.2 -2,-0.5 -20,-1.1 -0.848 16.6-140.8 -93.7 122.5 63.6 36.2 -6.7 95 108 A L E - N 0 72C 1 -57,-2.5 -23,-0.3 -2,-0.6 -43,-0.0 -0.551 17.9-120.8 -80.6 146.5 66.8 35.1 -5.0 96 109 A K S S+ 0 0 105 -25,-2.8 2,-0.3 -2,-0.2 -1,-0.1 0.880 95.6 7.9 -54.1 -41.6 68.9 32.3 -6.4 97 110 A E S S- 0 0 131 -26,-0.3 2,-0.2 -60,-0.1 -2,-0.1 -0.893 92.7 -86.5-133.8 170.2 68.4 30.3 -3.2 98 111 A K - 0 0 132 -2,-0.3 -60,-0.3 1,-0.1 -61,-0.1 -0.550 49.4-116.5 -75.0 139.0 66.4 30.6 -0.1 99 112 A A - 0 0 1 -62,-2.9 2,-0.3 -2,-0.2 -1,-0.1 -0.298 27.1-107.5 -70.4 158.7 68.1 32.6 2.6 100 113 A S - 0 0 68 6,-0.0 2,-0.6 1,-0.0 -1,-0.1 -0.646 29.2-125.9 -81.3 146.6 69.1 31.1 5.9 101 114 A L + 0 0 100 -2,-0.3 2,-0.2 3,-0.0 5,-0.2 -0.864 45.6 151.7 -93.1 122.4 67.0 32.1 8.9 102 115 A T - 0 0 69 3,-2.2 3,-0.5 -2,-0.6 -46,-0.1 -0.774 63.0 -91.1-134.0-178.3 69.1 33.5 11.7 103 116 A L S S+ 0 0 171 -2,-0.2 3,-0.1 1,-0.2 -47,-0.1 0.877 129.9 44.0 -63.0 -34.3 68.6 35.9 14.5 104 117 A A S S+ 0 0 7 1,-0.2 2,-0.4 -92,-0.1 -48,-0.4 0.557 115.9 50.6 -88.7 -9.7 69.7 38.7 12.2 105 118 A V + 0 0 1 -3,-0.5 -3,-2.2 -50,-0.1 2,-0.3 -0.966 64.3 131.3-138.3 119.1 67.8 37.5 9.1 106 119 A G - 0 0 16 -93,-1.3 -72,-0.3 -2,-0.4 2,-0.2 -0.956 49.2 -94.2-154.0 169.4 64.1 36.6 8.9 107 120 A T - 0 0 56 -2,-0.3 -72,-0.2 -72,-0.1 -93,-0.1 -0.508 26.5-124.4 -88.4 158.2 61.0 37.3 6.8 108 121 A L - 0 0 10 -74,-2.9 -75,-0.0 -94,-0.2 -1,-0.0 -0.887 35.6-130.5-100.7 103.2 58.4 40.0 7.4 109 122 A P 0 0 100 0, 0.0 78,-0.3 0, 0.0 -73,-0.1 -0.214 360.0 360.0 -53.6 130.3 55.1 38.0 7.5 110 123 A F 0 0 94 -75,-0.3 76,-0.1 76,-0.1 -75,-0.0 -0.013 360.0 360.0 -78.2 360.0 52.3 39.3 5.3 111 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 112 130 A V 0 0 82 0, 0.0 3,-0.1 0, 0.0 4,-0.0 0.000 360.0 360.0 360.0 116.0 45.0 52.6 9.1 113 131 A P > - 0 0 85 0, 0.0 3,-1.3 0, 0.0 30,-0.2 -0.343 360.0 -96.4 -65.9 150.1 43.4 56.0 9.7 114 132 A P T 3 S+ 0 0 57 0, 0.0 30,-0.2 0, 0.0 3,-0.1 -0.471 111.4 54.5 -65.1 139.5 45.4 59.1 9.0 115 133 A G T 3 S+ 0 0 33 28,-2.3 29,-0.1 1,-0.5 2,-0.1 0.071 80.3 127.2 113.4 -18.1 47.1 60.4 12.2 116 134 A R < - 0 0 138 -3,-1.3 27,-3.3 27,-0.1 -1,-0.5 -0.394 59.8-127.0 -67.5 145.9 48.7 57.0 12.8 117 135 A M E +C 142 0B 80 25,-0.2 67,-0.4 -3,-0.1 2,-0.3 -0.845 32.0 175.6 -97.7 131.2 52.4 56.8 13.3 118 136 A b E -C 141 0B 1 23,-3.4 23,-3.7 -2,-0.5 2,-0.3 -0.806 17.4-137.5-123.3 168.5 54.4 54.5 11.1 119 137 A R E -CD 140 182B 54 63,-2.4 63,-2.6 -2,-0.3 2,-0.4 -0.974 12.0-169.4-132.2 150.6 58.1 53.9 10.8 120 138 A V E -CD 139 181B 0 19,-2.3 19,-2.1 -2,-0.3 2,-0.3 -0.999 6.1-162.2-140.1 138.0 60.5 53.4 7.9 121 139 A A E +C 138 0B 3 59,-0.7 2,-0.3 -2,-0.4 17,-0.2 -0.842 21.0 137.1-119.0 155.5 64.1 52.2 7.9 122 140 A G E -C 137 0B 0 15,-2.3 15,-2.5 -2,-0.3 54,-0.1 -0.982 55.0-116.0 180.0 172.2 66.9 52.5 5.4 123 141 A W S S+ 0 0 12 52,-0.5 10,-1.4 -2,-0.3 53,-0.1 0.130 71.9 126.0-106.2 14.3 70.6 53.2 4.5 124 142 A G S S- 0 0 1 8,-0.2 9,-1.0 1,-0.2 51,-0.3 0.029 71.3 -57.1 -68.7-179.7 69.7 56.2 2.4 125 143 A R B -O 132 0D 97 49,-2.7 7,-0.2 7,-0.2 -1,-0.2 -0.216 36.8-146.5 -59.2 146.1 71.0 59.7 2.6 126 144 A T S S+ 0 0 46 5,-1.0 -123,-0.4 1,-0.1 2,-0.3 0.336 81.2 13.0 -99.7 4.3 70.6 61.5 5.9 127 145 A G S > S- 0 0 9 3,-0.3 3,-1.1 4,-0.1 -1,-0.1 -0.948 87.0 -96.8-168.7 163.3 70.2 64.9 4.3 128 146 A V T 3 S+ 0 0 60 -2,-0.3 70,-0.1 1,-0.3 -3,-0.1 0.792 127.8 28.5 -59.6 -27.0 69.5 66.4 0.9 129 147 A L T 3 S+ 0 0 164 2,-0.1 -1,-0.3 -3,-0.0 0, 0.0 0.249 104.1 101.8-117.7 8.9 73.3 67.0 0.5 130 148 A K S < S- 0 0 117 -3,-1.1 -3,-0.3 1,-0.1 3,-0.1 -0.601 71.8-110.9 -97.3 155.0 74.6 64.2 2.6 131 150 A P - 0 0 95 0, 0.0 -5,-1.0 0, 0.0 -4,-0.1 -0.230 49.2 -73.7 -74.9 169.9 75.9 60.8 1.5 132 151 A G B -O 125 0D 43 -7,-0.2 -7,-0.2 1,-0.1 2,-0.2 -0.310 59.5-101.1 -59.3 151.6 74.2 57.5 2.0 133 152 A S - 0 0 18 -10,-1.4 -73,-0.2 -9,-1.0 -1,-0.1 -0.554 14.0-146.1 -80.4 138.6 74.3 56.2 5.6 134 153 A D S S+ 0 0 91 -2,-0.2 -74,-2.6 -75,-0.1 -73,-0.3 0.826 84.9 46.2 -65.6 -33.0 76.8 53.5 6.7 135 154 A T S S- 0 0 16 -76,-0.2 2,-0.4 -75,-0.1 -76,-0.2 -0.716 96.2 -92.9-116.0 161.3 74.2 52.2 9.2 136 155 A L - 0 0 4 -78,-0.3 -129,-2.6 -2,-0.2 2,-0.3 -0.590 45.2-171.9 -70.5 121.9 70.5 51.3 9.2 137 156 A Q E -BC 6 122B 30 -15,-2.5 -15,-2.3 -2,-0.4 2,-0.3 -0.823 5.9-159.8-111.6 154.6 68.5 54.3 10.4 138 157 A E E -BC 5 121B 27 -133,-2.2 -133,-2.4 -2,-0.3 2,-0.3 -0.980 5.0-170.3-133.0 149.3 64.8 54.4 11.3 139 158 A V E - C 0 120B 5 -19,-2.1 -19,-2.3 -2,-0.3 2,-0.5 -0.994 20.8-130.8-137.7 144.3 62.3 57.3 11.5 140 159 A K E - C 0 119B 109 -2,-0.3 2,-0.3 -21,-0.2 -21,-0.3 -0.840 31.8-174.1 -95.1 128.7 58.7 57.5 12.8 141 160 A L E - C 0 118B 4 -23,-3.7 -23,-3.4 -2,-0.5 2,-0.4 -0.928 23.0-118.2-128.6 149.7 56.4 59.3 10.3 142 161 A R E - C 0 117B 91 -2,-0.3 22,-3.5 -25,-0.2 2,-0.4 -0.695 23.7-127.5 -90.7 130.1 52.8 60.4 10.5 143 162 A L E -E 163 0B 8 -27,-3.3 -28,-2.3 -2,-0.4 2,-0.2 -0.630 34.9-154.9 -72.7 127.8 50.2 59.0 8.1 144 163 A M E -E 162 0B 27 18,-3.6 18,-0.5 -2,-0.4 5,-0.0 -0.670 20.1 -98.3-108.3 157.3 48.4 61.9 6.3 145 164 A D > - 0 0 71 -2,-0.2 3,-2.0 1,-0.1 4,-0.3 -0.429 44.9-109.3 -63.2 147.1 45.1 62.5 4.6 146 165 A P G > S+ 0 0 31 0, 0.0 3,-2.2 0, 0.0 -1,-0.1 0.807 115.0 66.4 -52.8 -34.8 45.4 62.2 0.8 147 166 A Q G > S+ 0 0 137 1,-0.3 3,-1.8 2,-0.2 4,-0.3 0.781 86.2 70.3 -62.9 -24.4 44.9 66.0 0.4 148 167 A A G < S+ 0 0 31 -3,-2.0 -1,-0.3 1,-0.3 3,-0.2 0.745 103.0 44.9 -60.7 -21.4 48.2 66.6 2.1 149 168 A c G X S+ 0 0 0 -3,-2.2 3,-1.7 -4,-0.3 -1,-0.3 0.144 76.7 114.4-107.9 18.5 49.8 65.1 -1.0 150 169 A S T < + 0 0 65 -3,-1.8 5,-0.2 1,-0.3 -1,-0.1 0.842 65.1 68.3 -61.3 -33.6 47.8 67.0 -3.6 151 172 A H T 3 S+ 0 0 86 -4,-0.3 2,-1.1 -3,-0.2 -1,-0.3 0.653 81.2 80.0 -65.2 -14.8 50.8 68.9 -4.9 152 173 A F S X S- 0 0 25 -3,-1.7 3,-2.3 1,-0.2 -1,-0.1 -0.834 78.4-160.4 -85.8 98.7 52.1 65.7 -6.3 153 174 A R T 3 S+ 0 0 199 -2,-1.1 -1,-0.2 1,-0.3 -2,-0.1 0.743 84.9 47.7 -62.4 -23.8 49.8 65.9 -9.3 154 175 A D T 3 S+ 0 0 74 -70,-0.1 -1,-0.3 -3,-0.1 2,-0.1 0.354 81.9 124.9 -98.0 5.7 50.0 62.2 -10.1 155 176 A F < - 0 0 30 -3,-2.3 2,-0.4 -6,-0.3 3,-0.0 -0.412 41.8-166.1 -63.2 139.7 49.4 61.1 -6.5 156 177 A D >> - 0 0 59 1,-0.1 4,-2.4 -2,-0.1 3,-1.4 -0.946 18.9-150.0-136.5 113.5 46.4 58.6 -6.2 157 177AA H T 34 S+ 0 0 98 -2,-0.4 -1,-0.1 1,-0.3 5,-0.1 0.703 98.7 55.6 -52.8 -26.9 44.8 57.8 -2.8 158 178 A N T 34 S+ 0 0 112 1,-0.1 -1,-0.3 -3,-0.0 51,-0.1 0.828 118.6 29.4 -74.5 -36.0 43.9 54.4 -4.1 159 179 A L T <4 S+ 0 0 14 -3,-1.4 47,-2.9 1,-0.1 2,-0.3 0.620 121.8 43.7 -99.4 -20.2 47.4 53.4 -5.1 160 180 A Q E < - F 0 205B 5 -4,-2.4 2,-0.3 45,-0.3 45,-0.2 -0.893 62.2-134.1-136.1 157.4 49.5 55.4 -2.6 161 181 A L E - F 0 204B 6 43,-2.8 43,-2.4 -2,-0.3 2,-0.6 -0.853 19.1-137.4-105.6 149.1 49.9 56.5 1.0 162 182 A c E -EF 144 203B 4 -18,-0.5 -18,-3.6 -2,-0.3 2,-0.4 -0.933 31.6-177.1-109.4 115.7 50.7 60.1 2.0 163 183 A V E +EF 143 202B 2 39,-2.4 39,-2.4 -2,-0.6 -20,-0.2 -0.952 30.0 44.1-130.5 125.5 53.4 60.0 4.7 164 184 A G - 0 0 1 -22,-3.5 -23,-0.1 -2,-0.4 7,-0.1 0.287 68.2-104.1 116.8 122.9 55.0 62.7 6.8 165 185 A N > - 0 0 44 1,-0.1 3,-2.1 36,-0.1 5,-0.1 -0.593 24.3-144.6 -68.4 120.4 54.1 65.8 8.8 166 185AA P T 3 S+ 0 0 74 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.725 98.1 64.8 -61.0 -17.9 55.1 68.9 6.8 167 185BA R T 3 S+ 0 0 218 32,-0.1 2,-0.3 2,-0.0 -2,-0.0 0.475 98.2 62.4 -83.0 -4.7 55.9 70.6 10.1 168 186 A K S < S- 0 0 115 -3,-2.1 -165,-0.0 2,-0.1 0, 0.0 -0.834 75.7-138.4-117.5 156.1 58.7 68.1 10.9 169 187 A T + 0 0 112 -2,-0.3 2,-0.1 30,-0.1 -167,-0.1 0.491 64.8 122.5 -91.9 -0.5 61.9 67.5 8.9 170 188 A K + 0 0 61 -5,-0.1 2,-0.3 -167,-0.1 -167,-0.2 -0.389 35.6 132.3 -65.4 131.8 61.6 63.7 9.3 171 189 A S B -A 2 0A 8 -169,-2.0 -169,-3.3 -2,-0.1 2,-0.2 -0.987 56.2-105.0-169.1 158.0 61.5 61.8 6.0 172 190 A A + 0 0 9 -2,-0.3 2,-0.2 -171,-0.2 3,-0.1 -0.545 47.8 177.1 -78.5 161.3 62.8 59.0 3.8 173 191 A F > - 0 0 22 -2,-0.2 3,-2.5 1,-0.1 4,-0.3 -0.814 36.0 -26.5-151.1-169.0 65.1 60.1 1.1 174 192 A K T 3 S+ 0 0 128 1,-0.3 -49,-2.7 -2,-0.2 -47,-0.1 -0.209 126.1 24.3 -51.3 129.2 67.4 59.0 -1.8 175 193 A G T 3 S+ 0 0 22 -51,-0.3 -52,-0.5 -146,-0.2 -1,-0.3 0.193 102.4 86.3 98.4 -16.7 68.6 55.4 -1.3 176 194 A D X + 0 0 0 -3,-2.5 3,-2.0 -146,-0.2 15,-0.3 0.561 57.7 127.8 -90.0 -11.0 65.7 54.5 1.0 177 195 A S T 3 + 0 0 16 -4,-0.3 -146,-3.1 1,-0.2 15,-0.2 -0.150 69.0 25.8 -45.1 133.7 63.5 53.6 -2.0 178 196 A G T 3 S+ 0 0 0 13,-1.8 -1,-0.2 1,-0.3 -145,-0.2 0.166 87.7 128.7 98.3 -17.1 62.0 50.1 -1.6 179 197 A G < - 0 0 0 -3,-2.0 12,-2.4 -147,-0.1 -1,-0.3 -0.407 61.6-106.5 -73.8 149.7 62.0 49.9 2.2 180 198 A P E - G 0 190B 1 0, 0.0 -59,-0.7 0, 0.0 2,-0.6 -0.497 16.1-144.0 -80.6 144.0 58.8 49.0 4.0 181 199 A L E -DG 120 189B 0 8,-2.3 7,-3.4 -2,-0.2 8,-1.6 -0.950 23.3-157.5-100.2 118.0 56.7 51.4 6.0 182 200 A L E -DG 119 187B 6 -63,-2.6 -63,-2.4 -2,-0.6 2,-0.5 -0.867 16.0-177.4-104.7 128.8 55.4 49.6 9.0 183 201 A b E > S- G 0 186B 0 3,-2.8 3,-0.9 -2,-0.5 -65,-0.1 -0.990 82.5 -6.3-122.7 118.1 52.2 50.6 10.9 184 202 A A T 3 S- 0 0 95 -2,-0.5 -1,-0.1 -67,-0.4 3,-0.1 0.795 130.8 -58.3 65.9 33.9 51.5 48.4 13.9 185 207 A G T 3 S+ 0 0 41 1,-0.2 2,-0.4 -3,-0.0 -1,-0.2 0.524 118.1 110.8 75.8 5.4 54.3 46.1 13.0 186 208 A A E < S-G 183 0B 44 -3,-0.9 -3,-2.8 -76,-0.1 2,-0.4 -0.947 75.4-114.7-117.3 132.5 52.7 45.4 9.6 187 209 A A E +G 182 0B 14 -2,-0.4 -5,-0.3 -78,-0.3 3,-0.1 -0.459 43.4 159.3 -64.4 118.5 54.1 46.6 6.3 188 210 A Q E + 0 0 58 -7,-3.4 19,-1.8 -2,-0.4 20,-0.5 0.674 58.6 19.5-110.1 -28.6 51.6 49.1 4.8 189 211 A G E -GH 181 206B 0 -8,-1.6 -8,-2.3 17,-0.2 2,-0.4 -0.845 56.4-136.3-139.3 171.3 53.8 51.0 2.3 190 212 A I E -GH 180 205B 0 15,-1.1 15,-2.7 -2,-0.3 -29,-0.2 -0.998 38.3-107.7-131.0 128.8 56.9 51.0 0.2 191 213 A V E + H 0 204B 10 -12,-2.4 -13,-1.8 -2,-0.4 13,-0.2 -0.327 53.6 153.4 -51.9 127.9 59.2 54.1 -0.1 192 214 A S E - 0 0 6 11,-1.2 2,-0.3 1,-0.3 12,-0.2 0.601 47.7 -33.1-123.7 -75.7 58.6 55.6 -3.6 193 215 A Y E + H 0 203B 46 10,-1.7 10,-2.9 -19,-0.0 -1,-0.3 -0.931 46.7 160.5-147.5 169.3 59.1 59.3 -4.2 194 216 A G - 0 0 36 -2,-0.3 8,-0.1 8,-0.2 2,-0.1 -0.885 51.2 -41.7-162.2-162.7 58.9 62.8 -2.7 195 217 A R > - 0 0 112 4,-0.4 3,-1.5 6,-0.4 -43,-0.0 -0.423 46.2-124.0 -73.3 151.3 60.3 66.3 -3.3 196 218 A S T 3 S+ 0 0 99 1,-0.3 -1,-0.1 -2,-0.1 -22,-0.1 0.801 114.0 52.6 -65.1 -27.8 63.9 66.9 -4.1 197 219 A D T 3 S- 0 0 56 2,-0.1 -1,-0.3 1,-0.0 -69,-0.2 0.333 110.8-124.0 -90.0 6.3 64.3 69.2 -1.1 198 220 A A < + 0 0 11 -3,-1.5 -2,-0.1 1,-0.2 -196,-0.1 0.643 52.7 157.7 59.8 20.7 62.8 66.5 1.2 199 221 A K - 0 0 124 1,-0.0 -4,-0.4 2,-0.0 -1,-0.2 -0.665 45.9 -89.0 -71.9 119.3 60.0 68.6 2.5 200 224 A P S S+ 0 0 14 0, 0.0 2,-0.2 0, 0.0 -36,-0.2 -0.275 91.3 68.4 -67.9 159.0 57.3 66.1 3.8 201 225 A P - 0 0 6 0, 0.0 -6,-0.4 0, 0.0 2,-0.3 0.498 61.4-174.7 -81.4 174.8 54.9 64.5 3.0 202 226 A A E -F 163 0B 11 -39,-2.4 -39,-2.4 -2,-0.2 2,-0.5 -0.816 25.3-106.8-127.4 170.1 56.2 61.9 0.6 203 227 A V E -FH 162 193B 0 -10,-2.9 -10,-1.7 -2,-0.3 -11,-1.2 -0.871 31.3-176.2-108.4 125.9 54.5 59.2 -1.5 204 228 A F E -FH 161 191B 2 -43,-2.4 -43,-2.8 -2,-0.5 2,-0.2 -0.910 33.8-106.2-115.9 148.1 54.6 55.5 -0.6 205 229 A T E -FH 160 190B 4 -15,-2.7 -15,-1.1 -2,-0.4 2,-0.9 -0.545 32.9-125.4 -66.3 133.1 53.2 52.6 -2.6 206 230 A R E >> - H 0 189B 55 -47,-2.9 3,-0.9 -2,-0.2 4,-0.6 -0.732 21.0-160.9 -82.3 105.1 50.1 51.2 -0.9 207 231 A I H >> S+ 0 0 3 -19,-1.8 3,-1.9 -2,-0.9 4,-0.7 0.866 81.4 65.1 -57.3 -41.2 50.9 47.5 -0.5 208 232 A S H >4 S+ 0 0 72 -20,-0.5 3,-0.9 1,-0.3 -1,-0.2 0.840 97.2 56.4 -53.2 -38.7 47.3 46.3 -0.0 209 233 A H H <4 S+ 0 0 86 -3,-0.9 -1,-0.3 1,-0.2 4,-0.2 0.778 110.9 44.4 -62.9 -27.1 46.4 47.4 -3.6 210 234 A Y H S+ 0 0 87 0, 0.0 4,-1.8 0, 0.0 -1,-0.2 0.919 113.0 46.4 -60.8 -40.3 46.8 40.0 -5.6 213 237 A W H > S+ 0 0 27 -3,-0.4 4,-2.1 -4,-0.2 -2,-0.2 0.884 112.7 51.2 -65.2 -39.4 49.7 40.7 -8.0 214 238 A I H X S+ 0 0 0 -4,-2.6 4,-2.0 1,-0.2 -1,-0.2 0.952 110.8 46.8 -61.9 -52.1 52.2 39.9 -5.2 215 239 A N H X S+ 0 0 78 -4,-3.1 4,-0.8 1,-0.2 -1,-0.2 0.835 109.3 58.1 -55.4 -38.1 50.4 36.5 -4.5 216 240 A Q H >X S+ 0 0 126 -4,-1.8 4,-1.8 -5,-0.3 3,-1.0 0.955 107.4 43.4 -57.0 -56.2 50.3 35.9 -8.2 217 241 A I H 3X S+ 0 0 22 -4,-2.1 4,-0.8 1,-0.3 -1,-0.2 0.854 110.1 57.3 -60.9 -38.8 54.1 36.1 -8.7 218 242 A L H 3< S+ 0 0 29 -4,-2.0 -1,-0.3 1,-0.2 -2,-0.2 0.670 111.3 43.5 -69.3 -17.1 54.8 34.0 -5.6 219 243 A Q H << S+ 0 0 176 -3,-1.0 -2,-0.2 -4,-0.8 -1,-0.2 0.752 112.6 48.9 -97.5 -31.5 52.7 31.2 -7.0 220 244 A A H < 0 0 79 -4,-1.8 -2,-0.2 1,-0.2 -3,-0.1 0.490 360.0 360.0 -86.0 -3.7 54.0 31.2 -10.6 221 245 A N < 0 0 74 -4,-0.8 -1,-0.2 -5,-0.2 -2,-0.1 0.144 360.0 360.0-140.8 360.0 57.6 31.2 -9.5