==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=3-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 15-APR-07 2PJ4 . COMPND 2 MOLECULE: CARBOXYPEPTIDASE B; . SOURCE 2 ORGANISM_SCIENTIFIC: SUS SCROFA; . AUTHOR M.ADLER,M.WHITLOW . 608 2 6 6 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 22819.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 417 68.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 57 9.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 32 5.3 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 . 2 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 . 37 6.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 61 10.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 189 31.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 1.0 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 2 0 0 0 2 4 0 0 2 1 1 0 0 2 0 3 1 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 0 0 2 2 3 1 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 . 0 0 4 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 ANTIPARALLEL BRIDGES PER LADDER . 0 0 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 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 6 A G 0 0 108 0, 0.0 2,-0.2 0, 0.0 11,-0.1 0.000 360.0 360.0 360.0 132.6 11.5 13.9 82.5 2 7 A H + 0 0 57 10,-0.1 2,-0.3 6,-0.1 5,-0.1 -0.470 360.0 177.3 -82.5 148.0 9.7 13.1 79.2 3 8 A S - 0 0 35 3,-0.2 3,-0.5 -2,-0.2 5,-0.1 -0.984 28.6-150.9-145.6 142.9 6.4 14.6 78.1 4 9 A Y S S+ 0 0 43 -2,-0.3 72,-0.1 1,-0.2 -1,-0.0 0.469 99.9 56.1 -87.8 -3.1 4.4 14.2 74.9 5 10 A E S S+ 0 0 89 277,-0.1 2,-0.3 2,-0.1 277,-0.3 0.279 108.2 47.5-110.6 7.3 2.9 17.7 75.3 6 11 A K S S- 0 0 105 -3,-0.5 2,-0.4 276,-0.1 -3,-0.2 -0.915 93.3 -93.2-140.6 163.7 6.2 19.5 75.5 7 12 A Y - 0 0 22 -2,-0.3 2,-0.3 -5,-0.1 -3,-0.1 -0.708 40.2-151.8 -84.7 131.4 9.5 19.5 73.6 8 13 A N - 0 0 11 -2,-0.4 2,-0.1 60,-0.1 -6,-0.1 -0.772 10.1-125.5-102.8 146.0 12.1 17.2 74.9 9 14 A N > - 0 0 52 -2,-0.3 4,-2.6 1,-0.1 5,-0.2 -0.338 38.5 -94.3 -80.8 172.1 15.9 17.6 74.6 10 15 A W H > S+ 0 0 14 1,-0.2 4,-3.5 2,-0.2 5,-0.2 0.844 123.4 54.3 -62.2 -36.6 18.1 14.8 73.1 11 16 A E H > S+ 0 0 153 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.961 112.5 44.6 -58.3 -50.3 18.9 13.2 76.5 12 17 A T H > S+ 0 0 28 2,-0.2 4,-2.1 1,-0.2 -2,-0.2 0.913 115.4 48.2 -60.5 -42.0 15.3 13.0 77.3 13 18 A I H X S+ 0 0 0 -4,-2.6 4,-2.1 2,-0.2 -2,-0.2 0.943 111.8 48.5 -66.3 -45.4 14.5 11.7 73.8 14 19 A E H X S+ 0 0 61 -4,-3.5 4,-1.5 1,-0.2 -2,-0.2 0.945 112.6 48.3 -57.3 -48.0 17.3 9.1 73.9 15 20 A A H X S+ 0 0 58 -4,-2.7 4,-2.3 -5,-0.2 -1,-0.2 0.864 109.8 54.9 -60.8 -35.8 16.2 7.9 77.3 16 21 A W H X S+ 0 0 12 -4,-2.1 4,-3.3 -5,-0.2 5,-0.4 0.883 102.3 54.2 -66.1 -39.1 12.6 7.7 76.0 17 22 A T H X S+ 0 0 0 -4,-2.1 4,-1.0 1,-0.2 -1,-0.2 0.878 113.8 43.3 -65.2 -34.8 13.5 5.5 73.1 18 23 A K H X S+ 0 0 141 -4,-1.5 4,-1.7 -5,-0.2 -2,-0.2 0.898 118.0 45.1 -72.9 -41.5 15.1 3.0 75.5 19 24 A Q H X S+ 0 0 102 -4,-2.3 4,-1.4 2,-0.2 -2,-0.2 0.918 112.5 47.9 -71.1 -47.1 12.2 3.3 78.0 20 25 A V H X S+ 0 0 5 -4,-3.3 4,-0.6 1,-0.2 -1,-0.2 0.814 112.5 52.5 -68.0 -28.5 9.3 3.1 75.6 21 26 A T H >< S+ 0 0 23 -4,-1.0 3,-0.7 -5,-0.4 7,-0.3 0.910 107.2 50.5 -67.8 -44.5 11.1 0.0 74.0 22 27 A S H 3< S+ 0 0 75 -4,-1.7 -2,-0.2 1,-0.2 -1,-0.2 0.768 110.8 48.9 -70.5 -25.2 11.5 -1.8 77.3 23 28 A E H 3< S+ 0 0 115 -4,-1.4 -1,-0.2 1,-0.2 -2,-0.2 0.587 118.9 37.8 -89.5 -13.5 7.8 -1.4 78.2 24 29 A N XX + 0 0 31 -3,-0.7 4,-2.7 -4,-0.6 3,-2.6 -0.251 63.7 147.7-132.2 47.2 6.5 -2.6 74.9 25 30 A P T 34 S+ 0 0 92 0, 0.0 -1,-0.1 0, 0.0 -3,-0.1 0.647 74.7 61.5 -60.4 -12.7 8.9 -5.4 74.0 26 31 A D T 34 S+ 0 0 105 1,-0.1 3,-0.1 -3,-0.1 -2,-0.1 0.642 120.2 20.7 -86.2 -17.3 5.9 -7.0 72.3 27 32 A L T <4 S+ 0 0 12 -3,-2.6 21,-3.0 1,-0.2 2,-0.4 0.517 119.8 55.8-124.9 -15.7 5.4 -4.1 69.8 28 33 A I E < +A 47 0A 7 -4,-2.7 2,-0.3 -7,-0.3 -1,-0.2 -0.971 45.4 175.9-133.7 125.6 8.8 -2.3 69.7 29 34 A S E -A 46 0A 61 17,-1.9 17,-2.8 -2,-0.4 2,-0.4 -0.882 19.6-149.3-113.1 159.9 12.4 -3.2 69.0 30 35 A R E +A 45 0A 66 -2,-0.3 2,-0.3 15,-0.2 15,-0.2 -0.989 20.5 161.8-135.0 127.7 15.2 -0.7 68.9 31 36 A T E -A 44 0A 78 13,-2.3 13,-3.1 -2,-0.4 2,-0.4 -0.845 33.7-125.1-128.5 170.9 18.4 -0.4 66.9 32 37 A A E -A 43 0A 49 -2,-0.3 11,-0.2 11,-0.3 3,-0.1 -0.991 13.8-165.0-114.2 132.4 20.9 2.2 66.0 33 38 A I E - 0 0 35 9,-2.1 2,-0.3 -2,-0.4 10,-0.1 0.376 64.9 -45.6 -97.7 3.1 21.6 2.5 62.2 34 39 A G E - 0 0 27 8,-0.4 8,-2.4 5,-0.0 2,-0.3 -0.953 64.2 -85.1 158.0-174.2 24.8 4.5 62.6 35 40 A T E -A 41 0A 47 -2,-0.3 6,-0.2 6,-0.2 138,-0.2 -0.900 32.7-115.8-126.8 159.3 26.3 7.5 64.4 36 41 A T > - 0 0 0 4,-2.4 3,-1.7 -2,-0.3 71,-0.1 -0.267 42.9 -90.0 -82.3 173.8 26.3 11.2 63.8 37 42 A F T 3 S+ 0 0 79 1,-0.3 -1,-0.1 2,-0.1 90,-0.1 0.827 131.1 45.5 -51.5 -33.7 29.3 13.5 63.1 38 43 A L T 3 S- 0 0 103 2,-0.1 -1,-0.3 88,-0.0 88,-0.0 0.507 124.8-100.2 -94.7 -4.0 29.7 13.9 66.8 39 44 A G S < S+ 0 0 45 -3,-1.7 2,-0.2 1,-0.3 -2,-0.1 0.487 70.5 145.8 102.4 4.0 29.3 10.3 67.7 40 45 A N - 0 0 40 1,-0.1 -4,-2.4 -5,-0.0 2,-0.4 -0.492 53.1-110.3 -73.3 145.2 25.6 10.2 68.9 41 46 A N E -A 35 0A 60 -6,-0.2 2,-1.0 -2,-0.2 -6,-0.2 -0.621 18.5-140.2 -79.1 127.5 23.6 7.1 68.1 42 47 A I E - 0 0 0 -8,-2.4 -9,-2.1 -2,-0.4 -8,-0.4 -0.775 27.5-154.1 -85.9 102.9 20.9 7.4 65.5 43 48 A Y E -A 32 0A 32 -2,-1.0 62,-0.4 -11,-0.2 2,-0.4 -0.580 12.3-167.2 -85.3 142.2 18.1 5.3 67.0 44 49 A L E -A 31 0A 3 -13,-3.1 -13,-2.3 -2,-0.2 2,-0.5 -0.991 7.6-151.3-125.7 136.0 15.4 3.6 65.0 45 50 A L E -AB 30 102A 0 57,-2.8 57,-2.6 -2,-0.4 2,-0.7 -0.916 1.5-155.2-108.7 129.8 12.3 2.0 66.4 46 51 A K E -AB 29 101A 75 -17,-2.8 -17,-1.9 -2,-0.5 2,-0.5 -0.904 16.7-167.3-102.4 110.4 10.5 -0.9 64.7 47 52 A V E +AB 28 100A 0 53,-3.2 53,-2.8 -2,-0.7 2,-0.2 -0.859 35.7 76.0-105.1 126.1 6.8 -0.8 65.7 48 53 A G S S- 0 0 4 -21,-3.0 48,-0.2 -2,-0.5 51,-0.1 -0.844 82.3 -71.5 159.0 162.9 4.6 -3.8 65.1 49 54 A K - 0 0 84 46,-2.7 -22,-0.1 49,-0.4 -23,-0.1 -0.782 64.0-115.5 -79.9 111.4 3.5 -7.3 66.0 50 55 A P + 0 0 98 0, 0.0 -1,-0.1 0, 0.0 48,-0.0 -0.086 53.6 141.1 -53.5 144.6 6.5 -9.4 64.8 51 56 A G > - 0 0 45 3,-0.0 3,-0.6 46,-0.0 2,-0.1 -0.974 52.3 -58.6-172.7 170.3 5.8 -11.9 62.0 52 57 A P T 3 S- 0 0 107 0, 0.0 0, 0.0 0, 0.0 0, 0.0 -0.375 105.5 -21.3 -67.2 138.7 7.4 -13.4 58.8 53 58 A N T 3 S- 0 0 158 1,-0.1 0, 0.0 -2,-0.1 0, 0.0 0.766 80.7-175.4 26.9 64.0 8.3 -11.1 56.0 54 59 A K < - 0 0 23 -3,-0.6 44,-0.2 1,-0.1 -1,-0.1 -0.677 24.0-122.5 -81.5 137.1 6.1 -8.2 57.0 55 60 A P - 0 0 24 0, 0.0 44,-1.8 0, 0.0 2,-0.3 -0.331 34.7-147.4 -66.5 163.2 6.0 -5.1 54.7 56 61 A A E -cd 99 185A 1 128,-3.1 130,-3.2 42,-0.2 131,-0.8 -0.937 19.2-147.0-138.0 155.5 7.0 -1.8 56.3 57 62 A I E -cd 100 187A 2 42,-2.8 44,-3.6 -2,-0.3 2,-0.5 -0.980 21.7-151.2-115.9 138.8 6.4 1.9 56.3 58 63 A F E +cd 101 188A 0 129,-2.1 131,-2.8 -2,-0.4 2,-0.4 -0.946 17.7 173.4-115.8 125.5 9.3 4.2 57.1 59 64 A M E -cd 102 189A 5 42,-3.6 44,-2.6 -2,-0.5 2,-0.3 -0.996 5.8-173.3-130.0 134.6 8.9 7.6 58.7 60 65 A D E -cd 103 190A 0 129,-1.9 131,-2.3 -2,-0.4 2,-0.3 -0.922 2.3-172.5-125.7 154.1 11.6 9.9 60.0 61 66 A a E + d 0 191A 0 42,-2.5 45,-1.7 -2,-0.3 46,-0.2 -0.842 59.7 47.0-129.4 167.8 11.5 13.2 61.9 62 67 A G + 0 0 0 129,-0.5 45,-2.6 5,-0.3 49,-0.2 0.752 53.4 139.8 72.3 24.0 14.2 15.7 62.9 63 68 A F S S+ 0 0 0 128,-0.5 2,-0.5 43,-0.2 129,-0.1 0.936 76.2 45.5 -54.1 -47.7 16.0 16.1 59.5 64 69 A H S > S- 0 0 3 3,-0.1 3,-1.6 1,-0.1 -1,-0.2 -0.890 82.2-143.3-112.8 126.3 16.1 19.8 60.4 65 70 A A T 3 S+ 0 0 0 57,-1.4 57,-0.2 -2,-0.5 -1,-0.1 0.805 94.0 49.7 -59.6 -40.4 17.2 20.8 63.8 66 71 A R T 3 S+ 0 0 35 55,-1.1 2,-1.8 1,-0.2 -1,-0.3 0.608 85.0 90.1 -78.6 -11.9 15.0 23.8 64.4 67 72 A E X> + 0 0 5 -3,-1.6 3,-1.7 1,-0.2 4,-0.8 -0.481 51.3 167.1 -88.4 71.9 11.7 22.1 63.4 68 73 A W H 3> + 0 0 27 -2,-1.8 4,-2.2 207,-0.5 -1,-0.2 0.786 65.3 64.4 -65.1 -35.7 10.8 20.9 66.8 69 74 A I H 3> S+ 0 0 0 206,-0.3 4,-1.2 1,-0.2 -1,-0.3 0.759 98.5 62.1 -59.3 -22.2 7.1 19.9 66.2 70 75 A S H X> S+ 0 0 0 -3,-1.7 4,-1.4 2,-0.2 3,-0.9 0.985 105.3 41.6 -62.7 -59.2 8.7 17.3 63.9 71 76 A H H 3X S+ 0 0 0 -4,-0.8 4,-1.3 1,-0.3 -2,-0.2 0.873 111.9 58.8 -55.6 -37.9 10.6 15.5 66.6 72 77 A A H 3X S+ 0 0 8 -4,-2.2 4,-2.0 1,-0.2 -1,-0.3 0.835 103.0 53.0 -62.0 -33.2 7.5 15.8 68.8 73 78 A F H X S+ 0 0 30 -4,-2.3 4,-2.5 -5,-0.3 3,-1.5 0.494 82.7 120.3 -96.3 -2.9 -4.2 2.0 70.9 85 90 A Y T 3< S+ 0 0 55 -4,-0.8 4,-0.1 1,-0.2 7,-0.1 -0.428 86.7 10.2 -61.1 129.4 -3.1 -1.4 69.7 86 91 A G T 34 S+ 0 0 53 2,-0.4 -1,-0.2 -2,-0.2 3,-0.1 0.124 126.9 62.1 90.8 -20.9 -5.9 -3.8 70.2 87 92 A Y T <4 S+ 0 0 215 -3,-1.5 2,-0.5 1,-0.3 -2,-0.2 0.697 96.6 52.5-112.4 -31.0 -8.5 -1.1 71.1 88 93 A E S X S- 0 0 54 -4,-2.5 4,-1.8 1,-0.1 -2,-0.4 -0.968 79.6-143.6-109.9 120.6 -8.7 1.0 68.0 89 94 A S H > S+ 0 0 81 -2,-0.5 4,-2.4 1,-0.2 5,-0.2 0.825 91.4 51.0 -56.1 -41.8 -9.4 -1.3 65.0 90 95 A H H > S+ 0 0 89 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.924 111.7 44.0 -70.8 -43.7 -7.3 0.4 62.4 91 96 A M H > S+ 0 0 0 -3,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.819 111.6 56.7 -69.8 -29.8 -4.0 0.6 64.3 92 97 A T H X S+ 0 0 29 -4,-1.8 4,-1.4 -8,-0.2 -2,-0.2 0.937 110.4 43.1 -62.8 -47.5 -4.6 -3.0 65.4 93 98 A E H X S+ 0 0 66 -4,-2.4 4,-2.1 1,-0.2 5,-0.3 0.930 112.9 55.5 -61.3 -43.9 -4.8 -4.1 61.8 94 99 A F H X S+ 0 0 1 -4,-2.6 4,-2.6 1,-0.2 -2,-0.2 0.908 109.6 42.8 -54.9 -49.3 -1.9 -1.9 60.9 95 100 A L H < S+ 0 0 0 -4,-2.4 -46,-2.7 1,-0.2 -1,-0.2 0.751 114.1 51.2 -78.7 -22.3 0.6 -3.4 63.4 96 101 A N H < S+ 0 0 59 -4,-1.4 -1,-0.2 -5,-0.2 -2,-0.2 0.847 119.5 35.5 -76.3 -36.1 -0.5 -7.0 62.7 97 102 A K H < S+ 0 0 113 -4,-2.1 2,-0.3 -5,-0.2 -2,-0.2 0.777 125.9 12.9 -92.6 -29.9 -0.0 -6.6 59.0 98 103 A L < - 0 0 1 -4,-2.6 2,-0.4 -5,-0.3 -49,-0.4 -0.866 65.0-118.7-139.6 174.8 3.0 -4.2 58.8 99 104 A D E - c 0 56A 8 -44,-1.8 -42,-2.8 -2,-0.3 2,-0.6 -0.939 17.2-143.8-113.9 139.6 5.9 -2.6 60.7 100 105 A F E -Bc 47 57A 6 -53,-2.8 -53,-3.2 -2,-0.4 2,-0.8 -0.927 8.7-156.8 -97.7 118.7 6.4 1.1 61.2 101 106 A Y E -Bc 46 58A 24 -44,-3.6 -42,-3.6 -2,-0.6 2,-0.5 -0.880 16.8-173.7 -89.2 109.6 10.0 2.2 61.1 102 107 A V E -Bc 45 59A 0 -57,-2.6 -57,-2.8 -2,-0.8 -42,-0.2 -0.931 15.2-166.8-109.1 122.0 10.1 5.4 63.0 103 108 A L E - c 0 60A 0 -44,-2.6 -42,-2.5 -2,-0.5 3,-0.3 -0.897 8.4-164.7-106.6 101.0 13.4 7.4 63.2 104 109 A P S S+ 0 0 2 0, 0.0 2,-0.3 0, 0.0 -30,-0.2 0.844 72.2 6.6 -59.7 -42.5 12.7 9.9 66.0 105 110 A V + 0 0 2 -62,-0.4 3,-0.3 1,-0.1 -43,-0.3 -0.892 54.8 173.9-147.0 112.3 15.6 12.3 65.2 106 111 A L S S+ 0 0 0 -45,-1.7 2,-1.6 -2,-0.3 3,-0.2 0.951 83.0 49.8 -78.0 -55.4 17.9 12.1 62.2 107 112 A N > + 0 0 0 -45,-2.6 4,-1.6 1,-0.2 -1,-0.2 -0.591 67.0 156.3 -88.1 76.8 19.9 15.3 62.8 108 113 A I H > + 0 0 0 -2,-1.6 4,-2.2 -3,-0.3 -1,-0.2 0.873 68.4 52.7 -72.3 -39.5 20.7 14.8 66.4 109 114 A D H > S+ 0 0 2 -3,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.911 111.9 46.0 -66.0 -44.0 23.8 17.0 66.5 110 115 A G H > S+ 0 0 0 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.917 110.7 53.5 -62.6 -41.6 21.9 20.0 65.1 111 116 A Y H X S+ 0 0 1 -4,-1.6 4,-0.8 1,-0.2 -2,-0.2 0.883 106.7 51.2 -65.5 -37.7 19.0 19.4 67.4 112 117 A I H >X S+ 0 0 53 -4,-2.2 4,-2.0 1,-0.2 3,-1.0 0.915 107.9 55.5 -58.2 -41.8 21.3 19.5 70.4 113 118 A Y H 3X>S+ 0 0 53 -4,-1.7 4,-3.0 1,-0.3 5,-2.5 0.810 100.4 56.1 -66.3 -33.4 22.7 22.8 69.1 114 119 A T H 3<5S+ 0 0 7 -4,-1.6 -1,-0.3 3,-0.2 -2,-0.2 0.704 112.3 45.4 -72.3 -19.1 19.2 24.4 68.9 115 120 A W H <<5S+ 0 0 98 -3,-1.0 -2,-0.2 -4,-0.8 -1,-0.2 0.800 123.7 32.0 -85.4 -34.8 18.9 23.6 72.6 116 121 A T H <5S- 0 0 92 -4,-2.0 -2,-0.2 2,-0.1 -3,-0.2 0.822 137.1 -9.1 -95.1 -33.5 22.4 24.8 73.6 117 122 A K T <5S+ 0 0 161 -4,-3.0 2,-0.4 -5,-0.2 -3,-0.2 0.685 122.1 27.8-137.0 -49.2 23.3 27.6 71.3 118 123 A N > < - 0 0 23 -5,-2.5 3,-2.3 1,-0.1 -3,-0.1 -0.805 46.2-170.0-140.4 93.7 21.1 28.5 68.3 119 124 A R T 3 S+ 0 0 23 -2,-0.4 -5,-0.1 1,-0.3 -1,-0.1 0.704 90.5 55.6 -55.0 -22.5 17.4 27.7 68.3 120 125 A M T 3 S+ 0 0 34 -53,-0.0 -1,-0.3 156,-0.0 -54,-0.1 0.249 76.7 131.9 -98.4 12.9 17.2 28.5 64.6 121 126 A W < + 0 0 31 -3,-2.3 -55,-1.1 1,-0.1 -7,-0.1 -0.399 25.4 172.0 -69.0 144.5 19.9 26.1 63.5 122 127 A R + 0 0 15 -57,-0.2 -57,-1.4 2,-0.1 -1,-0.1 0.736 47.5 65.0-118.2 -48.4 19.0 23.9 60.5 123 128 A K S S- 0 0 3 -59,-0.2 14,-0.2 1,-0.2 -58,-0.2 0.015 85.3 -86.5 -80.0 180.0 22.0 21.9 59.2 124 129 A T - 0 0 0 12,-2.7 -1,-0.2 -14,-0.1 -2,-0.1 -0.044 36.8-119.6 -68.1-174.4 24.2 19.2 60.6 125 130 A R + 0 0 48 10,-0.1 2,-0.1 9,-0.1 -1,-0.1 -0.060 64.0 129.3-124.9 32.2 27.2 20.1 62.7 126 131 A S - 0 0 5 10,-0.1 9,-2.5 1,-0.1 2,-0.2 -0.475 58.4-108.9 -82.1 159.3 30.0 18.6 60.7 127 132 A T - 0 0 92 7,-0.2 2,-0.4 -2,-0.1 7,-0.1 -0.481 21.0-149.1 -86.9 157.5 33.1 20.6 59.7 128 133 A N > - 0 0 20 3,-0.5 3,-1.3 5,-0.4 5,-0.1 -0.997 24.1-114.4-128.1 129.0 34.0 21.9 56.2 129 134 A A T 3 S+ 0 0 108 -2,-0.4 3,-0.1 1,-0.2 4,-0.0 -0.284 95.5 19.5 -62.2 139.7 37.6 22.4 55.1 130 135 A G T 3 S+ 0 0 90 1,-0.1 2,-0.3 2,-0.0 -1,-0.2 0.526 117.0 65.5 86.0 6.3 38.8 25.9 54.4 131 136 A T < - 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0 0 119 -5,-1.2 -3,-0.2 2,-0.1 -2,-0.1 -0.946 49.7 -82.0-171.6 156.8 13.0 59.9 82.1 550 249 B P + 0 0 39 0, 0.0 2,-0.3 0, 0.0 -41,-0.2 -0.438 54.4 157.9 -62.2 137.8 11.6 63.2 81.0 551 250 B A - 0 0 8 -43,-2.3 3,-0.4 -2,-0.1 -96,-0.3 -0.834 25.5-148.5-167.8 124.4 13.3 64.4 77.8 552 251 B A S S+ 0 0 0 -98,-3.0 -102,-0.2 -2,-0.3 -105,-0.1 -0.529 70.8 42.0 -95.6 160.3 12.2 66.8 75.2 553 252 B G S S+ 0 0 0 -104,-2.3 -106,-2.2 1,-0.2 -107,-0.3 0.628 70.7 154.8 88.3 13.6 12.9 66.9 71.5 554 253 B G > - 0 0 4 -3,-0.4 4,-2.1 -105,-0.3 -1,-0.2 -0.467 47.4-134.6 -80.2 149.1 12.5 63.2 70.7 555 254 B S H > S+ 0 0 1 1,-0.2 4,-3.1 2,-0.2 5,-0.2 0.815 105.0 58.2 -71.6 -29.7 11.5 62.0 67.2 556 255 B D H > S+ 0 0 6 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.917 109.5 43.5 -66.7 -42.6 8.9 59.5 68.7 557 256 B D H > S+ 0 0 0 2,-0.2 4,-2.2 1,-0.2 -2,-0.2 0.899 115.6 49.5 -66.0 -42.6 7.1 62.4 70.4 558 257 B W H X S+ 0 0 7 -4,-2.1 4,-0.8 2,-0.2 -2,-0.2 0.945 109.3 50.4 -61.6 -49.5 7.4 64.5 67.3 559 258 B A H >X>S+ 0 0 0 -4,-3.1 5,-1.8 1,-0.2 3,-0.9 0.913 110.8 51.0 -55.5 -42.6 6.1 61.8 65.0 560 259 B Y H ><5S+ 0 0 5 -4,-1.8 3,-1.5 1,-0.3 -1,-0.2 0.911 106.8 51.4 -65.6 -42.8 3.1 61.3 67.3 561 260 B D H 3<5S+ 0 0 69 -4,-2.2 -1,-0.3 1,-0.3 -2,-0.2 0.581 102.3 63.3 -72.9 -6.6 2.2 65.0 67.3 562 261 B Q H <<5S- 0 0 69 -3,-0.9 -1,-0.3 -4,-0.8 -2,-0.2 0.639 129.5 -95.6 -84.1 -16.1 2.3 64.9 63.5 563 262 B G T <<5S+ 0 0 46 -3,-1.5 2,-1.2 -4,-0.5 -3,-0.2 0.437 82.6 134.7 115.5 2.3 -0.5 62.4 63.7 564 263 B I < - 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0 0 13 -75,-0.1 -74,-2.3 -76,-0.1 -75,-0.3 0.490 47.1-137.5-115.1-139.5 20.6 44.1 77.5 575 274 B K S S- 0 0 116 -76,-0.1 -2,-0.1 -75,-0.1 -3,-0.0 0.346 79.6 -69.4-107.6 2.5 20.1 45.4 81.1 576 275 B G S S+ 0 0 40 3,-0.1 4,-0.1 0, 0.0 -3,-0.0 0.482 103.0 110.9 125.0 6.2 23.7 46.7 81.6 577 276 B R S S- 0 0 176 2,-0.1 5,-0.0 1,-0.1 0, 0.0 0.932 113.8 -2.9 -67.0 -46.6 25.9 43.6 81.8 578 277 B Y S > S+ 0 0 96 1,-0.1 3,-1.9 5,-0.0 -1,-0.1 0.533 92.7 179.4-118.0 -21.2 27.4 44.6 78.5 579 278 B G T 3 S+ 0 0 5 1,-0.3 3,-0.3 2,-0.1 -1,-0.1 -0.292 71.0 0.2 59.4-124.8 25.2 47.7 77.8 580 279 B F T 3 S+ 0 0 33 1,-0.2 2,-0.9 -82,-0.1 -207,-0.4 0.720 127.8 66.3 -71.4 -23.5 26.2 49.4 74.5 581 280 B I S < S+ 0 0 78 -3,-1.9 -1,-0.2 -209,-0.1 -2,-0.1 -0.471 73.9 176.0 -97.6 60.0 28.9 46.8 73.8 582 281 B L - 0 0 3 -2,-0.9 5,-0.1 -3,-0.3 -2,-0.0 -0.457 37.9-102.8 -68.2 134.0 26.6 43.9 73.4 583 282 B P > - 0 0 33 0, 0.0 3,-2.6 0, 0.0 4,-0.4 -0.267 17.2-130.2 -62.1 140.1 28.5 40.7 72.3 584 283 B E G > S+ 0 0 74 1,-0.3 3,-1.2 2,-0.2 4,-0.5 0.793 108.3 69.5 -61.4 -25.1 28.3 39.8 68.6 585 284 B S G 3 S+ 0 0 99 1,-0.3 4,-0.3 2,-0.1 -1,-0.3 0.653 99.9 49.7 -67.9 -11.1 27.4 36.3 69.9 586 285 B Q G <> S+ 0 0 43 -3,-2.6 4,-2.4 2,-0.1 -1,-0.3 0.536 83.5 91.1-101.5 -8.6 24.1 37.9 71.0 587 286 B I H <> S+ 0 0 0 -3,-1.2 4,-2.8 -4,-0.4 5,-0.2 0.921 87.5 47.1 -54.3 -49.1 23.2 39.7 67.8 588 287 B Q H > S+ 0 0 29 -4,-0.5 4,-2.7 1,-0.2 5,-0.2 0.959 113.9 44.0 -61.1 -56.7 21.1 36.8 66.3 589 288 B A H > S+ 0 0 22 -4,-0.3 4,-2.1 1,-0.2 5,-0.3 0.893 115.5 50.9 -56.9 -39.7 19.1 36.0 69.4 590 289 B T H X S+ 0 0 0 -4,-2.4 4,-2.0 1,-0.2 -1,-0.2 0.951 112.2 44.4 -64.9 -48.9 18.4 39.7 70.0 591 290 B C H X S+ 0 0 0 -4,-2.8 4,-1.7 -5,-0.2 -1,-0.2 0.869 111.6 55.0 -64.8 -35.5 17.3 40.4 66.5 592 291 B E H X S+ 0 0 19 -4,-2.7 4,-0.9 -5,-0.2 -1,-0.2 0.924 110.7 41.8 -67.6 -44.2 15.1 37.3 66.4 593 292 B E H X S+ 0 0 0 -4,-2.1 4,-1.1 1,-0.2 3,-0.4 0.882 113.1 55.3 -69.4 -34.5 13.1 38.1 69.5 594 293 B T H X S+ 0 0 0 -4,-2.0 4,-2.2 -5,-0.3 -1,-0.2 0.840 98.8 62.7 -66.9 -31.5 12.8 41.8 68.5 595 294 B M H X S+ 0 0 5 -4,-1.7 4,-2.8 1,-0.2 5,-0.3 0.889 98.2 56.0 -57.8 -39.6 11.3 40.7 65.1 596 295 B L H X S+ 0 0 44 -4,-0.9 4,-1.9 -3,-0.4 -1,-0.2 0.881 108.6 46.4 -64.3 -39.1 8.3 39.2 67.0 597 296 B A H X S+ 0 0 0 -4,-1.1 4,-2.1 2,-0.2 -1,-0.2 0.940 113.8 48.5 -66.0 -46.9 7.5 42.5 68.6 598 297 B I H X S+ 0 0 1 -4,-2.2 4,-2.5 1,-0.2 -2,-0.2 0.898 113.7 45.9 -61.0 -43.7 7.9 44.4 65.4 599 298 B K H X S+ 0 0 35 -4,-2.8 4,-2.7 2,-0.2 5,-0.2 0.862 109.2 55.4 -71.2 -34.2 5.7 42.0 63.4 600 299 B Y H X S+ 0 0 75 -4,-1.9 4,-1.9 -5,-0.3 -1,-0.2 0.900 110.8 45.6 -64.2 -40.0 3.1 42.0 66.2 601 300 B V H X S+ 0 0 3 -4,-2.1 4,-3.0 2,-0.2 5,-0.2 0.946 111.8 52.0 -65.3 -47.6 2.9 45.8 65.9 602 301 B T H X S+ 0 0 1 -4,-2.5 4,-2.3 1,-0.2 -2,-0.2 0.929 110.2 47.5 -55.8 -49.4 2.8 45.7 62.1 603 302 B N H X S+ 0 0 74 -4,-2.7 4,-1.2 1,-0.2 -1,-0.2 0.909 112.6 49.9 -60.2 -43.0 -0.1 43.2 62.1 604 303 B Y H >< S+ 0 0 48 -4,-1.9 3,-0.7 -5,-0.2 4,-0.4 0.927 109.0 51.2 -61.2 -45.0 -2.0 45.2 64.6 605 304 B V H >< S+ 0 0 2 -4,-3.0 3,-1.4 1,-0.3 -1,-0.2 0.887 105.4 57.9 -58.6 -38.0 -1.4 48.4 62.6 606 305 B L H >< S+ 0 0 22 -4,-2.3 3,-0.5 1,-0.3 -1,-0.3 0.822 105.1 50.8 -60.4 -31.7 -2.8 46.5 59.6 607 306 B G T << S+ 0 0 59 -4,-1.2 -1,-0.3 -3,-0.7 -2,-0.2 0.453 110.1 49.7 -87.8 -0.2 -6.0 45.9 61.5 608 307 B H T < 0 0 87 -3,-1.4 -1,-0.2 -4,-0.4 -2,-0.1 -0.239 360.0 360.0-134.9 45.5 -6.5 49.5 62.5 609 308 B L < 0 0 145 -3,-0.5 -3,-0.1 -249,-0.0 -4,-0.1 -0.432 360.0 360.0 -80.7 360.0 -6.1 51.5 59.2