==== 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 07-AUG-04 1WNO . COMPND 2 MOLECULE: CHITINASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ASPERGILLUS FUMIGATUS; . AUTHOR H.HU,G.WANG,H.YANG,J.ZHOU,L.MO,K.YANG,C.JIN,C.JIN,Z.RAO . 788 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 28923.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 564 71.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 93 11.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 55 7.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 9 1.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.1 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 . 67 8.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 86 10.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 190 24.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 18 2.3 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 5 3 2 0 0 2 2 0 2 0 2 0 0 0 2 0 0 0 0 0 0 2 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 0 2 7 5 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 PARALLEL BRIDGES PER LADDER . 4 0 5 3 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 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 0 2 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 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 A 0 0 131 0, 0.0 2,-0.3 0, 0.0 374,-0.2 0.000 360.0 360.0 360.0 166.3 -11.3 33.2 98.2 2 2 A S B -A 374 0A 68 372,-2.4 372,-2.5 2,-0.0 2,-0.1 -0.996 360.0-126.0-147.7 139.2 -11.1 30.6 101.0 3 3 A S + 0 0 114 -2,-0.3 2,-0.3 370,-0.2 372,-0.0 -0.446 56.3 118.8 -72.6 151.9 -8.5 28.8 103.1 4 4 A G - 0 0 24 248,-0.1 368,-0.2 369,-0.1 369,-0.2 -0.993 58.0 -39.1 172.1-173.9 -8.8 25.0 102.8 5 5 A Y B -b 372 0B 46 366,-2.2 368,-2.9 -2,-0.3 2,-0.4 -0.438 47.9-139.2 -75.5 148.2 -7.4 21.6 101.9 6 6 A R E -c 342 0C 26 335,-1.9 337,-2.7 366,-0.2 2,-0.6 -0.841 4.8-155.7-109.0 145.3 -5.4 21.2 98.8 7 7 A S E -c 343 0C 2 -2,-0.4 25,-2.6 335,-0.2 26,-1.9 -0.904 25.8-178.8-122.0 97.0 -5.7 18.2 96.5 8 8 A V E +cd 344 33C 0 335,-3.3 337,-1.9 -2,-0.6 2,-0.3 -0.823 9.3 172.9-106.8 136.1 -2.3 17.9 94.7 9 9 A V E -cd 345 34C 0 24,-1.8 26,-2.9 -2,-0.4 2,-0.4 -0.999 25.7-130.2-143.1 143.5 -1.2 15.5 92.0 10 10 A Y E - d 0 35C 2 335,-1.9 338,-2.4 -2,-0.3 2,-0.5 -0.738 13.9-165.4 -90.5 137.7 1.8 15.1 89.8 11 11 A F E - d 0 36C 0 24,-2.5 26,-2.0 -2,-0.4 2,-0.4 -0.974 13.1-152.1-121.7 110.1 1.4 14.5 86.0 12 12 A V E > - d 0 37C 0 -2,-0.5 3,-2.6 24,-0.2 4,-0.2 -0.723 14.3-134.3 -87.2 129.7 4.6 13.3 84.5 13 13 A N G > S+ 0 0 6 24,-1.8 3,-0.8 -2,-0.4 -1,-0.1 0.672 103.2 62.1 -57.6 -17.4 5.0 14.2 80.8 14 14 A W G > S+ 0 0 87 1,-0.2 3,-1.6 23,-0.2 5,-0.5 0.544 79.7 86.5 -86.0 -4.1 6.2 10.7 79.9 15 15 A A G < S+ 0 0 0 -3,-2.6 6,-2.9 1,-0.3 -1,-0.2 0.700 74.3 71.1 -66.2 -19.3 2.9 9.3 81.1 16 16 A I G < S+ 0 0 12 -3,-0.8 -1,-0.3 4,-0.2 -2,-0.1 0.565 97.5 55.6 -74.7 -8.4 1.5 9.9 77.6 17 17 A Y S X S- 0 0 99 -3,-1.6 3,-2.1 3,-0.1 -2,-0.1 0.612 124.3 -7.9 -91.9-116.6 3.6 7.1 76.2 18 18 A G T 3 S+ 0 0 56 1,-0.3 -3,-0.1 -4,-0.2 -2,-0.1 0.845 135.5 55.0 -51.8 -37.3 3.5 3.5 77.5 19 19 A R T 3 S- 0 0 40 -5,-0.5 -1,-0.3 2,-0.1 -3,-0.1 0.659 94.2-150.2 -72.4 -14.2 1.2 4.5 80.4 20 20 A N < + 0 0 94 -3,-2.1 2,-0.5 -6,-0.2 -4,-0.2 0.891 43.8 145.1 43.9 51.2 -1.2 6.0 77.8 21 21 A H - 0 0 16 -6,-2.9 -1,-0.2 -7,-0.1 -2,-0.1 -0.978 26.3-174.0-121.4 124.6 -2.3 8.6 80.3 22 22 A N > - 0 0 21 -2,-0.5 3,-2.7 -3,-0.1 4,-0.4 -0.865 37.8-105.9-121.8 156.4 -3.2 12.2 79.2 23 23 A P G > S+ 0 0 0 0, 0.0 3,-2.2 0, 0.0 -1,-0.1 0.818 117.0 60.2 -43.5 -44.5 -4.1 15.4 81.1 24 24 A Q G 3 S+ 0 0 41 1,-0.3 4,-0.2 3,-0.1 395,-0.0 0.711 94.2 66.9 -62.7 -17.0 -7.8 15.2 80.2 25 25 A D G < S+ 0 0 61 -3,-2.7 -1,-0.3 2,-0.1 395,-0.0 0.641 80.0 107.6 -76.6 -14.4 -7.8 11.8 82.0 26 26 A L S < S- 0 0 10 -3,-2.2 2,-1.7 -4,-0.4 3,-0.2 -0.275 81.3-119.7 -65.4 149.7 -7.2 13.7 85.3 27 27 A P > + 0 0 34 0, 0.0 3,-1.9 0, 0.0 -1,-0.1 -0.563 42.4 171.1 -88.9 72.5 -10.0 14.1 87.8 28 28 A V G > + 0 0 12 -2,-1.7 3,-1.5 1,-0.3 -3,-0.0 0.787 68.4 63.0 -55.2 -33.8 -10.0 17.9 87.6 29 29 A E G 3 S+ 0 0 59 1,-0.3 -1,-0.3 -3,-0.2 340,-0.0 0.706 108.1 44.3 -67.1 -17.9 -13.2 18.3 89.7 30 30 A R G < S+ 0 0 82 -3,-1.9 2,-0.3 338,-0.0 -1,-0.3 0.129 105.1 75.6-112.4 20.1 -11.4 16.7 92.6 31 31 A L < - 0 0 0 -3,-1.5 -23,-0.2 1,-0.1 3,-0.1 -0.904 43.4-177.1-130.2 156.7 -8.1 18.5 92.4 32 32 A T S S+ 0 0 0 -25,-2.6 59,-2.3 1,-0.3 2,-0.4 0.515 78.6 31.8-122.4 -20.1 -6.8 22.0 93.2 33 33 A H E -de 8 91C 0 -26,-1.9 -24,-1.8 57,-0.2 2,-0.4 -0.997 55.6-168.6-145.5 136.1 -3.3 21.7 91.9 34 34 A V E -de 9 92C 0 57,-2.3 59,-2.7 -2,-0.4 2,-0.7 -0.990 13.6-151.7-122.7 129.2 -1.5 19.7 89.2 35 35 A L E -de 10 93C 0 -26,-2.9 -24,-2.5 -2,-0.4 2,-1.0 -0.891 9.6-148.4-104.1 106.1 2.3 19.6 89.1 36 36 A Y E -de 11 94C 2 57,-3.0 59,-2.7 -2,-0.7 2,-0.3 -0.649 32.0-122.0 -76.0 102.1 3.5 19.1 85.5 37 37 A A E +de 12 95C 0 -26,-2.0 -24,-1.8 -2,-1.0 -23,-0.2 -0.438 58.6 6.6 -93.8 137.2 6.8 17.0 86.0 38 38 A F E + 0 0 19 57,-0.6 13,-0.5 -2,-0.3 2,-0.3 0.954 38.1 164.4 44.8 120.6 9.7 17.6 85.1 39 39 A A E -Fe 50 96C 0 56,-1.6 58,-2.3 -3,-0.2 11,-0.2 -0.609 36.9-133.3 -99.9 152.6 11.7 20.5 83.6 40 40 A N E -F 49 0C 14 9,-3.0 9,-2.2 -2,-0.3 2,-0.4 -0.600 6.5-132.2-110.3 175.2 15.5 20.2 83.9 41 41 A V E -F 48 0C 1 7,-0.2 7,-0.2 60,-0.2 6,-0.1 -0.994 16.1-125.7-130.8 135.1 18.2 22.7 85.0 42 42 A R >> - 0 0 126 5,-2.6 4,-3.5 -2,-0.4 3,-0.8 -0.701 16.9-150.9 -79.7 116.8 21.5 23.5 83.2 43 43 A P T 34 S+ 0 0 46 0, 0.0 -1,-0.2 0, 0.0 71,-0.0 0.833 93.9 47.2 -55.5 -37.2 24.2 22.9 85.8 44 44 A E T 34 S+ 0 0 195 1,-0.1 -2,-0.0 3,-0.1 70,-0.0 0.673 129.7 17.2 -83.5 -17.3 26.5 25.5 84.2 45 45 A T T <4 S- 0 0 68 -3,-0.8 72,-0.2 2,-0.1 -1,-0.1 0.559 90.7-122.5-128.5 -17.2 23.9 28.3 83.8 46 46 A G < + 0 0 0 -4,-3.5 2,-0.2 1,-0.3 75,-0.1 0.468 55.5 157.3 84.4 1.0 21.0 27.5 86.1 47 47 A E - 0 0 78 -5,-0.3 -5,-2.6 -6,-0.1 2,-0.4 -0.403 34.3-144.6 -66.6 132.4 18.6 27.6 83.1 48 48 A V E +F 41 0C 4 69,-0.4 2,-0.3 70,-0.3 -7,-0.2 -0.818 26.4 175.2 -96.5 131.5 15.4 25.8 83.5 49 49 A Y E -F 40 0C 56 -9,-2.2 -9,-3.0 -2,-0.4 2,-0.1 -0.982 35.2-103.4-141.5 152.2 14.1 24.1 80.4 50 50 A M E -F 39 0C 39 -2,-0.3 3,-0.2 -11,-0.2 -11,-0.2 -0.455 27.8-150.9 -70.2 143.7 11.3 21.8 79.2 51 51 A T S S+ 0 0 40 -13,-0.5 2,-0.2 1,-0.2 -1,-0.1 0.561 77.5 35.7 -97.9 -9.7 12.4 18.2 78.7 52 52 A D > - 0 0 36 1,-0.1 4,-3.4 2,-0.0 5,-0.3 -0.685 55.9-173.8-146.9 87.7 10.2 16.7 76.0 53 53 A S H >>S+ 0 0 63 -2,-0.2 5,-2.1 1,-0.2 4,-1.9 0.814 88.4 53.2 -51.1 -33.9 9.1 19.2 73.3 54 54 A W H 4>S+ 0 0 105 3,-0.2 5,-2.6 4,-0.2 4,-0.3 0.967 115.9 34.5 -67.8 -55.5 6.8 16.5 71.9 55 55 A A H 45S+ 0 0 0 3,-0.2 21,-2.9 1,-0.1 -2,-0.2 0.889 125.4 43.7 -68.0 -38.6 4.9 15.7 75.0 56 56 A D H <5S- 0 0 0 -4,-3.4 21,-2.5 19,-0.2 22,-0.3 0.952 133.4 -7.3 -75.0 -53.2 5.0 19.2 76.3 57 57 A I T <5S+ 0 0 39 -4,-1.9 17,-3.3 -5,-0.3 -3,-0.2 0.625 125.0 43.6-126.5 -15.0 4.2 21.5 73.4 58 58 A E T - 0 0 11 -2,-0.8 3,-3.1 1,-0.2 14,-0.0 -0.414 45.8 -67.1 -85.2 166.2 -4.3 16.0 70.5 62 62 A P T 3 S+ 0 0 23 0, 0.0 -1,-0.2 0, 0.0 3,-0.1 -0.338 130.6 27.1 -54.7 127.6 -7.7 15.5 69.0 63 63 A G T 3 S+ 0 0 34 1,-0.3 2,-0.6 725,-0.2 -2,-0.0 0.263 87.8 128.7 102.0 -12.6 -8.8 19.0 68.0 64 64 A D < - 0 0 11 -3,-3.1 -1,-0.3 1,-0.1 2,-0.1 -0.699 58.7-128.1 -81.6 120.1 -5.3 20.4 67.6 65 65 A S - 0 0 10 -2,-0.6 724,-0.1 1,-0.1 -4,-0.1 -0.421 22.5-171.7 -71.8 139.0 -5.1 22.1 64.2 66 66 A W S S+ 0 0 192 -2,-0.1 -1,-0.1 1,-0.1 723,-0.0 0.567 90.8 44.8-100.6 -16.1 -2.3 21.2 61.8 67 67 A S S S+ 0 0 87 2,-0.1 -1,-0.1 0, 0.0 -2,-0.1 0.607 81.1 121.4-101.7 -17.6 -3.1 24.0 59.4 68 68 A D - 0 0 71 1,-0.1 2,-0.2 4,-0.0 4,-0.1 -0.223 57.9-136.6 -51.5 130.0 -3.6 26.8 62.0 69 69 A T + 0 0 124 2,-0.1 2,-0.2 0, 0.0 -1,-0.1 -0.505 56.4 49.6 -88.6 158.3 -1.2 29.6 61.3 70 70 A G S S- 0 0 46 -2,-0.2 2,-1.1 2,-0.1 316,-0.1 -0.466 98.0 -50.5 109.0 177.7 0.8 31.4 64.0 71 71 A N S S+ 0 0 71 314,-0.2 316,-2.8 -2,-0.2 2,-0.3 -0.793 72.6 169.9 -95.0 95.9 3.1 30.6 66.9 72 72 A N - 0 0 26 -2,-1.1 2,-0.4 314,-0.2 -2,-0.1 -0.835 30.7-141.5-117.0 150.5 1.0 28.0 68.8 73 73 A V + 0 0 0 -2,-0.3 -15,-0.2 55,-0.1 2,-0.1 -0.864 28.9 157.1-106.7 137.6 1.5 25.6 71.7 74 74 A Y >> + 0 0 19 -17,-3.3 4,-1.5 -2,-0.4 3,-0.6 -0.176 33.4 75.9-128.0-138.0 -0.1 22.2 71.7 75 75 A G H 3> S- 0 0 0 -16,-3.0 4,-1.6 1,-0.2 3,-0.4 -0.104 111.8 -32.0 58.5-160.2 0.9 19.0 73.6 76 76 A C H 3> S+ 0 0 0 -21,-2.9 4,-2.6 1,-0.2 -1,-0.2 0.729 134.0 66.2 -65.4 -24.1 0.2 18.7 77.3 77 77 A I H <> S+ 0 0 2 -21,-2.5 4,-2.4 -3,-0.6 -1,-0.2 0.941 105.0 41.7 -64.3 -47.1 0.6 22.4 77.9 78 78 A K H X S+ 0 0 18 -4,-1.5 4,-2.6 -3,-0.4 -2,-0.2 0.922 114.0 54.5 -64.9 -41.2 -2.4 23.2 75.8 79 79 A Q H X S+ 0 0 13 -4,-1.6 4,-1.8 1,-0.2 -2,-0.2 0.887 110.0 45.5 -58.6 -42.7 -4.3 20.3 77.4 80 80 A L H X S+ 0 0 4 -4,-2.6 4,-1.8 2,-0.2 -1,-0.2 0.912 111.0 53.1 -68.2 -42.5 -3.6 21.6 80.9 81 81 A Y H X S+ 0 0 6 -4,-2.4 4,-1.2 1,-0.2 -2,-0.2 0.907 107.2 52.0 -59.7 -42.6 -4.5 25.2 79.9 82 82 A L H >X S+ 0 0 9 -4,-2.6 4,-1.7 1,-0.2 3,-0.7 0.924 106.9 52.5 -60.2 -44.1 -7.9 23.9 78.6 83 83 A L H 3X S+ 0 0 6 -4,-1.8 4,-2.9 1,-0.3 -1,-0.2 0.858 104.9 57.3 -60.2 -33.1 -8.6 22.1 81.9 84 84 A K H 3< S+ 0 0 1 -4,-1.8 -1,-0.3 1,-0.2 6,-0.2 0.812 104.7 50.0 -67.2 -30.0 -7.8 25.4 83.7 85 85 A K H << S+ 0 0 80 -4,-1.2 3,-0.3 -3,-0.7 -1,-0.2 0.843 112.8 49.5 -74.7 -31.7 -10.6 27.1 81.6 86 86 A Q H < S+ 0 0 109 -4,-1.7 2,-0.6 1,-0.3 -2,-0.2 0.939 121.7 28.6 -70.5 -52.6 -12.8 24.2 82.7 87 87 A N >< - 0 0 35 -4,-2.9 3,-2.2 1,-0.1 -1,-0.3 -0.899 66.7-167.7-115.8 101.2 -12.1 24.3 86.4 88 88 A R T 3 S+ 0 0 82 -2,-0.6 289,-3.0 1,-0.3 -1,-0.1 0.553 88.3 59.6 -64.6 -7.2 -11.2 27.8 87.5 89 89 A N T 3 S+ 0 0 20 287,-0.2 2,-0.6 -58,-0.1 -1,-0.3 0.305 83.5 99.6-102.3 8.4 -10.0 26.4 90.9 90 90 A L < - 0 0 0 -3,-2.2 2,-0.4 -6,-0.2 -57,-0.2 -0.852 55.4-168.2 -98.5 119.0 -7.5 24.2 89.2 91 91 A K E -e 33 0C 4 -59,-2.3 -57,-2.3 -2,-0.6 2,-0.5 -0.853 6.5-154.3-106.2 142.3 -3.9 25.6 89.3 92 92 A V E -e 34 0C 1 -2,-0.4 40,-3.4 -59,-0.2 41,-0.7 -0.970 12.1-173.2-120.2 121.2 -1.1 24.1 87.2 93 93 A L E -eg 35 133C 0 -59,-2.7 -57,-3.0 -2,-0.5 2,-0.5 -0.816 26.4-121.2-111.1 150.8 2.5 24.5 88.3 94 94 A L E -eg 36 134C 0 39,-2.1 41,-3.2 -2,-0.3 2,-0.5 -0.806 27.2-144.5 -89.1 126.1 5.6 23.5 86.4 95 95 A S E -eg 37 135C 0 -59,-2.7 -56,-1.6 -2,-0.5 -57,-0.6 -0.829 14.6-160.4 -95.6 127.9 7.6 21.0 88.5 96 96 A I E -eg 39 136C 0 39,-3.6 41,-3.3 -2,-0.5 2,-0.6 -0.911 52.3 -2.5-112.2 130.3 11.4 21.4 88.2 97 97 A G E + g 0 137C 1 -58,-2.3 4,-0.4 -2,-0.4 41,-0.2 -0.852 59.2 179.5 105.5-122.6 13.9 18.8 89.1 98 98 A G > - 0 0 0 39,-2.8 4,-1.3 -2,-0.6 41,-0.5 -0.371 55.8 -58.7 101.2 174.6 13.0 15.4 90.5 99 99 A W T 4 S+ 0 0 171 1,-0.2 3,-0.3 2,-0.2 -1,-0.2 0.926 132.6 47.3 -60.1 -49.1 15.2 12.5 91.5 100 100 A T T 4 S+ 0 0 113 1,-0.2 -1,-0.2 -3,-0.1 -2,-0.1 0.852 120.5 36.2 -63.1 -38.1 16.8 12.0 88.1 101 101 A Y T >4 S+ 0 0 64 -4,-0.4 3,-2.1 1,-0.2 -1,-0.2 0.521 88.2 98.3 -94.9 -7.5 17.6 15.6 87.5 102 102 A S G >X + 0 0 7 -4,-1.3 3,-2.3 -3,-0.3 4,-0.5 0.774 66.5 72.6 -53.7 -32.1 18.5 16.6 91.0 103 103 A P G 34 S+ 0 0 97 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.721 90.3 64.2 -58.8 -15.6 22.3 16.3 90.6 104 104 A N G <> S+ 0 0 42 -3,-2.1 4,-1.5 1,-0.2 -2,-0.2 0.586 86.6 72.7 -83.6 -9.5 22.0 19.5 88.5 105 105 A F H <> S+ 0 0 0 -3,-2.3 4,-3.1 -4,-0.2 5,-0.2 0.943 86.5 57.1 -70.9 -51.5 20.9 21.7 91.4 106 106 A A H < S+ 0 0 28 -4,-0.5 4,-0.4 1,-0.2 -1,-0.1 0.924 115.2 37.7 -47.0 -55.4 24.0 22.1 93.5 107 107 A P H >4 S+ 0 0 59 0, 0.0 3,-1.4 0, 0.0 4,-0.3 0.952 116.9 50.8 -62.4 -52.1 26.1 23.5 90.6 108 108 A A H 3< S+ 0 0 3 -4,-1.5 3,-0.5 1,-0.3 -2,-0.2 0.858 116.8 40.6 -55.3 -39.1 23.2 25.6 89.1 109 109 A A T 3< S+ 0 0 2 -4,-3.1 -1,-0.3 1,-0.2 -3,-0.1 0.372 88.4 93.2 -94.7 5.7 22.4 27.2 92.5 110 110 A S S < S+ 0 0 63 -3,-1.4 2,-0.3 -4,-0.4 -1,-0.2 0.664 85.2 49.8 -73.8 -15.3 26.0 27.7 93.7 111 111 A T S > S- 0 0 69 -3,-0.5 4,-2.3 -4,-0.3 5,-0.2 -0.934 78.6-125.5-128.6 153.4 26.2 31.3 92.3 112 112 A D H > S+ 0 0 85 -2,-0.3 4,-2.4 1,-0.2 5,-0.2 0.887 114.1 51.5 -55.9 -43.0 24.1 34.4 92.4 113 113 A A H > S+ 0 0 68 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.885 108.5 50.7 -64.4 -40.2 24.0 34.5 88.6 114 114 A G H > S+ 0 0 4 2,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.915 111.2 47.1 -64.9 -43.8 22.9 30.9 88.3 115 115 A R H X S+ 0 0 22 -4,-2.3 4,-2.9 2,-0.2 -2,-0.2 0.939 113.3 48.1 -63.8 -46.6 20.0 31.4 90.8 116 116 A K H X S+ 0 0 77 -4,-2.4 4,-2.7 1,-0.2 -1,-0.2 0.893 114.1 47.4 -61.4 -38.3 18.8 34.6 89.1 117 117 A N H X S+ 0 0 50 -4,-2.3 4,-2.2 2,-0.2 -69,-0.4 0.836 109.9 52.4 -71.0 -33.2 19.1 32.9 85.7 118 118 A F H X S+ 0 0 2 -4,-2.3 4,-2.1 2,-0.2 -70,-0.3 0.950 112.4 48.0 -64.5 -46.6 17.2 29.9 87.1 119 119 A A H X S+ 0 0 2 -4,-2.9 4,-2.3 1,-0.2 -2,-0.2 0.924 113.9 43.3 -60.0 -51.3 14.5 32.4 88.2 120 120 A K H X S+ 0 0 144 -4,-2.7 4,-1.6 1,-0.2 -1,-0.2 0.905 115.4 47.1 -66.0 -43.0 14.2 34.3 85.0 121 121 A T H X S+ 0 0 22 -4,-2.2 4,-1.4 2,-0.2 -1,-0.2 0.886 113.5 49.3 -68.3 -35.5 14.2 31.3 82.7 122 122 A A H X S+ 0 0 0 -4,-2.1 4,-1.5 -5,-0.3 -2,-0.2 0.921 112.4 46.1 -68.7 -43.5 11.6 29.5 84.8 123 123 A V H X S+ 0 0 11 -4,-2.3 4,-2.4 1,-0.2 -1,-0.2 0.796 106.8 60.5 -69.7 -25.4 9.3 32.4 85.0 124 124 A K H X S+ 0 0 83 -4,-1.6 4,-1.9 2,-0.2 -1,-0.2 0.890 103.5 50.3 -66.8 -38.5 9.7 32.9 81.3 125 125 A L H X S+ 0 0 31 -4,-1.4 4,-3.3 2,-0.2 -2,-0.2 0.887 109.9 50.3 -65.3 -38.2 8.3 29.4 80.8 126 126 A L H X>S+ 0 0 0 -4,-1.5 4,-1.2 1,-0.2 5,-0.8 0.906 107.7 54.4 -64.9 -41.8 5.3 30.3 83.1 127 127 A Q H <5S+ 0 0 41 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.884 119.9 31.5 -57.4 -44.0 4.8 33.5 81.0 128 128 A D H <5S+ 0 0 7 -4,-1.9 258,-0.3 256,-0.2 -2,-0.2 0.864 122.6 44.4 -83.8 -42.1 4.5 31.4 77.8 129 129 A L H <5S- 0 0 7 -4,-3.3 -2,-0.2 -5,-0.2 -3,-0.2 0.343 103.5-116.2 -91.3 4.1 3.0 28.2 79.0 130 130 A G T <5 + 0 0 3 -4,-1.2 -38,-0.2 1,-0.2 2,-0.2 0.821 51.7 163.2 68.6 37.0 0.3 29.4 81.3 131 131 A F < - 0 0 3 -5,-0.8 -38,-0.2 -6,-0.2 -1,-0.2 -0.534 39.1-145.8 -87.4 153.6 1.4 28.1 84.7 132 132 A D S S- 0 0 5 -40,-3.4 43,-3.0 -2,-0.2 2,-0.3 0.380 75.5 -36.3 -95.4 0.5 0.0 29.3 88.0 133 133 A G E -gh 93 175C 0 -41,-0.7 -39,-2.1 41,-0.3 2,-0.4 -0.987 64.5 -85.1 168.4-171.9 3.4 28.8 89.7 134 134 A L E -gh 94 176C 0 41,-2.6 43,-2.2 -2,-0.3 2,-0.4 -0.953 21.1-157.3-129.0 146.0 6.5 26.7 90.0 135 135 A D E -gh 95 177C 0 -41,-3.2 -39,-3.6 -2,-0.4 2,-0.6 -0.992 10.9-154.3-122.3 127.9 7.3 23.6 92.1 136 136 A I E -gh 96 178C 0 41,-2.7 43,-1.5 -2,-0.4 2,-0.8 -0.910 10.1-174.4-111.4 117.3 10.9 22.8 92.9 137 137 A D E +g 97 0C 1 -41,-3.3 -39,-2.8 -2,-0.6 2,-1.2 -0.747 8.6 172.3-108.0 80.3 11.9 19.2 93.6 138 138 A W - 0 0 8 -2,-0.8 2,-2.0 41,-0.3 -39,-0.1 -0.805 23.7-152.7 -88.6 90.3 15.6 19.4 94.7 139 139 A E S S- 0 0 36 -2,-1.2 -37,-0.1 -41,-0.5 41,-0.1 -0.674 70.0 -2.5 -79.5 68.0 16.0 15.7 95.7 140 140 A Y - 0 0 48 -2,-2.0 -1,-0.2 1,-0.1 2,-0.2 0.863 42.5-160.2 92.4 111.9 18.7 16.7 98.2 141 141 A P - 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0 0 19 -3,-0.8 2,-0.2 -61,-0.2 6,-0.1 -0.387 64.7-120.8 -79.4 163.5 -15.8 -0.1 83.5 747 352 B K - 0 0 27 4,-0.4 7,-0.2 1,-0.1 2,-0.2 -0.485 21.4-129.3 -94.4 172.5 -12.8 -0.1 85.7 748 353 B T > + 0 0 48 -2,-0.2 3,-0.9 -395,-0.1 -395,-0.1 -0.475 68.1 33.7-109.5-174.2 -9.3 1.0 84.7 749 354 B G G > S- 0 0 20 1,-0.2 3,-1.3 -2,-0.2 -457,-0.2 -0.255 123.8 -28.6 66.3-155.4 -6.0 -0.9 85.1 750 355 B S G 3 S+ 0 0 63 -459,-1.2 -1,-0.2 1,-0.3 -458,-0.1 0.679 133.4 65.5 -71.5 -17.7 -5.9 -4.7 85.1 751 356 B D G < S+ 0 0 49 -3,-0.9 2,-0.4 -460,-0.5 -4,-0.4 0.373 70.5 119.9 -86.5 5.8 -9.5 -5.0 86.4 752 357 B S <> - 0 0 6 -3,-1.3 4,-2.2 1,-0.2 5,-0.1 -0.571 55.6-153.2 -70.4 125.6 -10.9 -3.4 83.2 753 358 B L H > S+ 0 0 2 -2,-0.4 4,-2.4 2,-0.2 5,-0.2 0.852 94.2 52.3 -70.2 -33.5 -13.2 -6.0 81.6 754 359 B I H > S+ 0 0 3 -7,-0.2 4,-3.0 2,-0.2 5,-0.2 0.961 112.5 43.6 -66.6 -49.7 -12.7 -4.5 78.2 755 360 B T H > S+ 0 0 19 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.897 113.3 54.3 -61.6 -39.0 -8.9 -4.7 78.5 756 361 B T H X S+ 0 0 20 -4,-2.2 4,-2.2 2,-0.2 -1,-0.2 0.923 112.1 42.3 -61.5 -45.3 -9.3 -8.2 80.0 757 362 B V H X S+ 0 0 0 -4,-2.4 4,-1.6 2,-0.2 6,-0.2 0.942 112.4 53.7 -67.0 -47.8 -11.3 -9.4 77.0 758 363 B V H X>S+ 0 0 3 -4,-3.0 5,-2.6 1,-0.2 4,-1.0 0.933 111.5 45.6 -53.5 -49.1 -9.2 -7.7 74.5 759 364 B N H ><5S+ 0 0 104 -4,-2.5 3,-1.3 1,-0.2 -1,-0.2 0.953 111.2 51.0 -60.7 -50.0 -6.0 -9.4 75.9 760 365 B A H 3<5S+ 0 0 22 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.720 107.0 55.9 -61.5 -21.2 -7.6 -12.8 76.2 761 366 B L H 3<5S- 0 0 12 -4,-1.6 -1,-0.3 -3,-0.5 -2,-0.2 0.717 133.1 -86.3 -83.0 -20.9 -8.7 -12.6 72.5 762 367 B G T <<5 - 0 0 50 -3,-1.3 3,-0.4 -4,-1.0 -3,-0.2 0.443 65.9 -86.3 129.4 7.3 -5.2 -12.0 71.3 763 368 B G > < - 0 0 16 -5,-2.6 3,-1.7 -6,-0.2 4,-0.1 -0.225 68.8 -49.6 87.6 177.8 -4.7 -8.2 71.6 764 369 B T G > S+ 0 0 75 1,-0.3 3,-1.7 2,-0.2 -1,-0.2 0.702 123.8 79.1 -63.8 -16.9 -5.6 -5.5 69.1 765 370 B G G 3 S+ 0 0 73 -3,-0.4 -1,-0.3 1,-0.3 -2,-0.1 0.691 90.9 50.9 -65.3 -19.1 -3.8 -7.5 66.5 766 371 B V G < S+ 0 0 51 -3,-1.7 -366,-2.6 -8,-0.1 -1,-0.3 0.286 85.4 121.2-101.1 9.9 -6.8 -9.9 66.1 767 372 B F B < S-r 400 0F 9 -3,-1.7 -366,-0.2 -368,-0.2 -370,-0.1 -0.407 74.9-101.5 -72.4 147.7 -9.3 -7.0 65.7 768 373 B E - 0 0 21 -368,-3.2 2,-0.5 -369,-0.2 -370,-0.2 -0.410 41.4-141.8 -63.8 147.5 -11.4 -6.7 62.5 769 374 B Q B +Q 397 0E 77 -372,-3.2 -372,-1.0 -3,-0.1 2,-0.3 -0.967 39.9 134.5-122.6 126.3 -9.8 -4.1 60.2 770 375 B S - 0 0 36 -2,-0.5 2,-0.1 -374,-0.2 -2,-0.0 -0.818 49.7-116.7-167.7 123.3 -11.8 -1.6 58.1 771 376 B Q - 0 0 129 -2,-0.3 -287,-0.2 1,-0.1 -288,-0.1 -0.366 30.2-130.0 -67.4 139.9 -11.1 2.1 57.7 772 377 B N - 0 0 4 -289,-2.4 2,-0.4 -293,-0.2 -286,-0.1 -0.190 25.8 -96.8 -80.4 179.2 -13.8 4.5 58.9 773 378 B E + 0 0 23 1,-0.1 -1,-0.1 -248,-0.1 -294,-0.0 -0.853 38.1 167.0-103.3 132.2 -15.3 7.4 57.0 774 379 B L + 0 0 39 -2,-0.4 2,-0.6 -294,-0.0 13,-0.1 0.479 54.9 89.0-116.8 -11.5 -14.1 10.9 57.5 775 380 B D + 0 0 82 -211,-0.1 10,-0.1 1,-0.1 11,-0.1 -0.813 32.9 157.1-100.3 122.4 -15.7 12.6 54.5 776 381 B Y > + 0 0 0 -2,-0.6 3,-2.0 9,-0.3 11,-0.1 -0.637 13.5 177.9-138.0 70.8 -19.2 14.0 54.8 777 382 B P T 3 S+ 0 0 55 0, 0.0 8,-0.1 0, 0.0 -213,-0.1 0.467 79.1 40.4 -55.1 -12.1 -19.2 16.5 51.9 778 383 B V T 3 S+ 0 0 67 -256,-0.3 2,-0.1 -215,-0.1 -256,-0.1 0.136 78.2 135.5-127.4 18.1 -22.8 17.6 52.4 779 384 B S < - 0 0 1 -3,-2.0 -256,-0.2 1,-0.2 6,-0.1 -0.454 56.6-136.0 -64.5 139.8 -22.9 17.7 56.2 780 385 B Q S S+ 0 0 83 -2,-0.1 2,-0.7 4,-0.0 -314,-0.2 0.702 84.7 88.5 -72.4 -19.6 -24.7 20.9 57.2 781 386 B Y > - 0 0 26 -258,-0.3 4,-3.0 1,-0.2 -314,-0.3 -0.729 68.7-154.8 -85.5 114.9 -22.0 21.5 59.9 782 387 B D H > S+ 0 0 43 -316,-2.8 4,-1.9 -2,-0.7 6,-0.2 0.861 90.2 50.4 -55.9 -42.8 -19.2 23.5 58.4 783 388 B N H 4>S+ 0 0 20 -317,-0.3 5,-3.5 2,-0.2 6,-0.5 0.965 116.1 39.6 -64.9 -50.5 -16.5 22.2 60.8 784 389 B L H >45S+ 0 0 1 3,-0.2 3,-1.8 1,-0.2 -8,-0.3 0.899 114.2 55.0 -65.2 -40.2 -17.4 18.5 60.4 785 390 B R H 3<5S+ 0 0 75 -4,-3.0 -9,-0.3 1,-0.3 -1,-0.2 0.856 109.1 48.4 -60.9 -35.2 -17.9 19.0 56.6 786 391 B N T 3<5S- 0 0 112 -4,-1.9 -1,-0.3 -5,-0.2 -2,-0.2 0.205 128.8 -96.6 -91.1 15.7 -14.4 20.5 56.4 787 392 B G T < 5 - 0 0 20 -3,-1.8 -3,-0.2 1,-0.2 -2,-0.1 0.715 62.5 -74.7 80.3 22.1 -12.8 17.7 58.4 788 393 B M < 0 0 9 -5,-3.5 -1,-0.2 1,-0.3 -725,-0.2 0.954 360.0 360.0 52.2 53.5 -12.8 19.4 61.8 789 394 B Q 0 0 133 -6,-0.5 -1,-0.3 -3,-0.1 -2,-0.1 -0.571 360.0 360.0 100.1 360.0 -9.9 21.6 60.6