==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=6-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 01-FEB-02 1KXR . COMPND 2 MOLECULE: THIOL PROTEASE DOMAINS I AND II; . SOURCE 2 ORGANISM_SCIENTIFIC: RATTUS NORVEGICUS; . AUTHOR T.MOLDOVEANU,C.M.HOSFIELD,D.LIM,J.S.ELCE,Z.JIA,P.L.DAVIES . 641 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 29822.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 406 63.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 10 1.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 105 16.4 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.3 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 . 6 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 . 49 7.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 83 12.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 122 19.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 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 4 0 0 6 0 2 5 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 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 0 0 0 PARALLEL BRIDGES PER LADDER . 3 5 2 0 5 1 0 3 1 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 . 1 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 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 33 A N 0 0 195 0, 0.0 3,-0.1 0, 0.0 128,-0.0 0.000 360.0 360.0 360.0 83.2 36.2 8.5 70.7 2 34 A A - 0 0 15 1,-0.1 2,-0.4 126,-0.1 126,-0.2 -0.157 360.0 -82.4 -70.7 169.8 33.7 9.2 67.9 3 35 A I E -a 128 0A 88 124,-2.6 126,-2.9 1,-0.1 2,-0.6 -0.626 47.9-118.1 -77.1 128.7 30.0 10.0 68.5 4 36 A K E > -a 129 0A 55 -2,-0.4 3,-2.1 124,-0.2 126,-0.2 -0.556 24.2-125.8 -73.6 112.5 28.0 6.9 69.0 5 37 A Y G > S- 0 0 35 124,-2.5 3,-2.2 -2,-0.6 126,-0.2 -0.343 92.1 -8.6 -58.1 127.0 25.3 6.5 66.3 6 38 A L G 3 S- 0 0 112 1,-0.3 -1,-0.3 -2,-0.1 3,-0.1 0.568 121.1 -76.6 60.1 7.7 21.9 6.0 68.0 7 39 A G G < S+ 0 0 60 -3,-2.1 2,-0.4 1,-0.3 -1,-0.3 0.537 87.0 152.7 82.0 5.6 23.8 5.7 71.3 8 40 A Q < - 0 0 31 -3,-2.2 2,-0.8 121,-0.1 -1,-0.3 -0.584 35.0-149.6 -73.6 125.2 24.9 2.2 70.5 9 41 A D > - 0 0 50 -2,-0.4 4,-3.0 1,-0.2 5,-0.3 -0.851 5.7-160.6-101.7 104.9 28.2 1.5 72.3 10 42 A Y H > S+ 0 0 16 -2,-0.8 4,-2.8 1,-0.2 5,-0.2 0.918 89.7 43.4 -47.8 -59.3 30.4 -1.0 70.5 11 43 A E H > S+ 0 0 94 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.910 116.7 46.8 -57.6 -45.5 32.6 -2.0 73.4 12 44 A N H > S+ 0 0 88 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.921 114.6 46.6 -62.8 -46.6 29.8 -2.2 75.9 13 45 A L H X S+ 0 0 38 -4,-3.0 4,-2.2 2,-0.2 5,-0.2 0.909 113.8 48.0 -62.9 -43.6 27.6 -4.2 73.6 14 46 A R H X S+ 0 0 55 -4,-2.8 4,-2.4 -5,-0.3 -2,-0.2 0.955 113.6 47.3 -62.4 -48.6 30.5 -6.6 72.6 15 47 A A H X S+ 0 0 54 -4,-2.7 4,-2.3 -5,-0.2 -2,-0.2 0.891 112.0 51.0 -59.3 -40.9 31.4 -7.1 76.3 16 48 A R H X S+ 0 0 142 -4,-2.6 4,-1.7 2,-0.2 -1,-0.2 0.874 110.4 47.8 -66.6 -38.3 27.7 -7.7 77.2 17 49 A C H <>S+ 0 0 13 -4,-2.2 5,-2.3 2,-0.2 4,-0.3 0.910 111.3 52.2 -68.6 -39.8 27.2 -10.3 74.5 18 50 A L H ><5S+ 0 0 81 -4,-2.4 3,-1.1 1,-0.2 -2,-0.2 0.928 111.3 45.4 -61.3 -47.1 30.5 -12.0 75.5 19 51 A Q H 3<5S+ 0 0 167 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.821 113.8 49.6 -66.9 -31.9 29.4 -12.2 79.2 20 52 A N T 3<5S- 0 0 102 -4,-1.7 -1,-0.2 -5,-0.2 -2,-0.2 0.367 110.1-122.8 -88.2 3.5 25.9 -13.5 78.2 21 53 A G T < 5S+ 0 0 68 -3,-1.1 2,-0.3 -4,-0.3 -3,-0.2 0.783 72.9 110.7 61.2 30.2 27.3 -16.1 76.0 22 54 A V < - 0 0 80 -5,-2.3 2,-0.4 -6,-0.2 -1,-0.2 -0.813 66.3-113.3-129.5 170.4 25.5 -14.9 72.9 23 55 A L - 0 0 66 -2,-0.3 92,-0.2 -3,-0.1 110,-0.1 -0.820 42.9 -95.4-105.3 146.7 26.1 -13.2 69.6 24 56 A F - 0 0 15 90,-2.9 2,-0.4 -2,-0.4 110,-0.3 -0.269 32.9-173.4 -62.5 136.7 25.0 -9.6 68.8 25 57 A Q - 0 0 122 108,-0.1 2,-0.7 109,-0.1 91,-0.0 -0.992 26.0-129.4-130.6 123.2 21.7 -9.1 66.9 26 58 A D > - 0 0 1 -2,-0.4 3,-1.1 3,-0.3 107,-0.1 -0.666 19.3-171.4 -83.5 108.1 21.1 -5.4 66.0 27 59 A D T 3 S+ 0 0 157 -2,-0.7 -1,-0.2 1,-0.2 0, 0.0 0.758 90.2 57.2 -64.9 -25.5 17.7 -4.0 66.9 28 60 A A T 3 S+ 0 0 43 1,-0.3 -1,-0.2 0, 0.0 -2,-0.1 0.617 128.1 12.8 -81.1 -14.6 18.6 -0.8 64.9 29 61 A F S < S- 0 0 6 -3,-1.1 -3,-0.3 137,-0.0 104,-0.3 -0.416 89.5-168.9-160.3 69.8 19.2 -2.8 61.7 30 62 A P - 0 0 46 0, 0.0 2,-2.6 0, 0.0 5,-0.3 -0.160 36.7 -99.6 -67.2 157.1 17.8 -6.4 62.2 31 63 A P S S+ 0 0 31 0, 0.0 2,-0.3 0, 0.0 22,-0.2 -0.365 86.2 107.3 -75.2 63.2 18.3 -9.4 59.9 32 64 A V S >> S- 0 0 66 -2,-2.6 3,-2.4 1,-0.0 4,-0.7 -0.901 87.1 -91.8-137.5 166.1 14.9 -9.0 58.3 33 65 A S H >> S+ 0 0 39 1,-0.3 4,-2.6 -2,-0.3 3,-1.1 0.775 116.4 67.3 -48.7 -35.9 13.5 -7.9 54.9 34 66 A H H 34 S+ 0 0 143 1,-0.3 -1,-0.3 2,-0.2 7,-0.0 0.733 99.4 51.6 -60.2 -22.7 13.1 -4.3 56.0 35 67 A S H <4 S+ 0 0 4 -3,-2.4 135,-2.0 -5,-0.3 -1,-0.3 0.679 110.1 50.7 -85.8 -19.9 16.9 -4.0 56.2 36 68 A L H << S- 0 0 6 -3,-1.1 135,-2.2 -4,-0.7 2,-0.3 0.947 121.5 -75.4 -79.1 -55.2 17.1 -5.4 52.6 37 69 A G < - 0 0 4 -4,-2.6 -1,-0.3 4,-0.3 5,-0.0 -0.977 18.7-117.4-179.8-167.3 14.6 -3.0 51.1 38 70 A F S S+ 0 0 141 -2,-0.3 6,-0.1 4,-0.2 4,-0.1 0.496 96.4 7.6-133.4 -20.5 11.1 -1.8 50.4 39 71 A K S > S+ 0 0 139 3,-0.1 3,-1.4 4,-0.1 5,-0.1 0.492 134.5 20.1-128.8 -84.0 10.5 -2.2 46.6 40 72 A E T 3 S+ 0 0 87 1,-0.3 7,-0.3 5,-0.1 8,-0.1 0.788 144.0 29.2 -65.3 -27.0 13.1 -3.9 44.3 41 73 A L T 3 S+ 0 0 11 6,-0.1 -1,-0.3 5,-0.1 -4,-0.3 -0.055 98.6 128.3-121.2 29.4 14.5 -5.6 47.4 42 74 A G S X S- 0 0 2 -3,-1.4 3,-2.0 -6,-0.1 6,-0.3 -0.316 77.7 -98.0 -81.1 168.0 11.2 -5.6 49.4 43 75 A P T 3 S+ 0 0 70 0, 0.0 -1,-0.1 0, 0.0 -5,-0.1 0.798 123.7 52.8 -56.4 -29.4 9.7 -8.7 51.0 44 76 A N T 3 S+ 0 0 163 -6,-0.1 2,-0.3 -5,-0.1 -2,-0.0 0.150 90.4 105.7 -93.4 18.6 7.4 -9.2 48.0 45 77 A S X - 0 0 25 -3,-2.0 3,-1.0 1,-0.1 4,-0.1 -0.780 66.8-142.1-104.6 146.5 10.2 -9.1 45.4 46 78 A S G > S+ 0 0 106 -2,-0.3 3,-1.0 1,-0.2 -1,-0.1 0.696 99.5 71.7 -73.4 -18.9 11.6 -12.0 43.5 47 79 A K G 3 S+ 0 0 108 -7,-0.3 -1,-0.2 1,-0.2 -6,-0.1 0.720 100.0 46.2 -68.4 -20.9 15.1 -10.4 43.8 48 80 A T G X S+ 0 0 21 -3,-1.0 3,-2.0 -6,-0.3 -1,-0.2 0.379 82.4 127.1-101.9 3.1 15.0 -11.4 47.5 49 81 A Y T < S+ 0 0 190 -3,-1.0 3,-0.1 1,-0.3 -3,-0.1 -0.408 80.5 10.6 -63.0 129.6 13.8 -14.9 46.9 50 82 A G T 3 S+ 0 0 31 1,-0.3 90,-0.4 -2,-0.1 2,-0.4 0.446 89.4 146.2 82.5 -0.9 16.1 -17.4 48.6 51 83 A I < - 0 0 25 -3,-2.0 2,-0.4 88,-0.1 -1,-0.3 -0.572 22.7-179.5 -75.3 128.2 18.0 -14.7 50.6 52 84 A K E -C 138 0B 119 86,-2.8 86,-1.9 -2,-0.4 2,-0.6 -0.993 26.8-126.2-129.6 135.2 19.0 -15.9 54.0 53 85 A W E +C 137 0B 41 -2,-0.4 2,-0.3 84,-0.2 82,-0.1 -0.703 39.8 166.4 -83.7 120.6 20.9 -13.8 56.7 54 86 A K E -C 136 0B 63 82,-2.6 82,-2.2 -2,-0.6 -2,-0.0 -0.996 32.4-127.2-139.3 143.5 24.1 -15.6 57.8 55 87 A R >> - 0 0 12 -2,-0.3 3,-2.1 80,-0.2 4,-1.3 -0.487 29.7-116.3 -82.0 153.6 27.2 -14.7 59.8 56 88 A P H 3> S+ 0 0 0 0, 0.0 4,-3.1 0, 0.0 3,-0.2 0.859 118.0 59.4 -58.0 -33.1 30.6 -15.3 58.4 57 89 A T H 34 S+ 0 0 50 1,-0.2 -2,-0.0 2,-0.2 52,-0.0 0.561 106.1 47.6 -71.7 -9.5 31.2 -17.7 61.3 58 90 A E H <4 S+ 0 0 110 -3,-2.1 -1,-0.2 0, 0.0 3,-0.1 0.632 116.8 44.2-100.5 -22.5 28.2 -19.7 60.1 59 91 A L H < S+ 0 0 47 -4,-1.3 2,-0.3 -3,-0.2 -2,-0.2 0.893 119.2 25.9 -87.3 -48.5 29.5 -19.7 56.5 60 92 A L < - 0 0 69 -4,-3.1 -1,-0.1 -5,-0.1 92,-0.0 -0.794 60.9-136.4-120.4 161.7 33.1 -20.5 56.8 61 93 A S S S+ 0 0 131 -2,-0.3 -1,-0.1 1,-0.2 -4,-0.1 0.773 106.7 27.1 -83.6 -28.4 35.4 -22.3 59.3 62 94 A N S S+ 0 0 95 -6,-0.1 -1,-0.2 2,-0.0 -5,-0.1 -0.404 78.1 175.7-131.8 58.5 38.0 -19.6 59.2 63 95 A P - 0 0 6 0, 0.0 2,-0.4 0, 0.0 46,-0.3 -0.325 13.9-156.1 -64.4 148.5 36.4 -16.2 58.3 64 96 A Q B -e 153 0C 43 88,-3.0 90,-2.5 1,-0.2 91,-0.3 -0.973 21.2-151.7-129.2 142.2 38.7 -13.2 58.3 65 97 A F S S+ 0 0 6 -2,-0.4 90,-2.2 1,-0.3 2,-0.4 0.971 91.6 12.7 -71.2 -54.4 38.0 -9.5 58.8 66 98 A I - 0 0 64 41,-0.2 2,-0.5 88,-0.1 -1,-0.3 -0.987 67.3-172.5-129.7 128.8 41.0 -8.5 56.7 67 99 A V S S- 0 0 20 2,-0.4 83,-0.1 -2,-0.4 86,-0.1 -0.982 75.8 -13.4-122.6 126.7 43.2 -10.6 54.5 68 100 A D S S- 0 0 146 -2,-0.5 -1,-0.2 2,-0.1 3,-0.0 0.874 127.3 -55.0 51.6 41.6 46.4 -9.4 52.9 69 101 A G S S- 0 0 36 1,-0.1 2,-1.0 -3,-0.1 -2,-0.4 0.141 70.1 -74.3 78.7 162.0 45.4 -5.8 53.8 70 102 A A S S+ 0 0 14 -4,-0.1 2,-0.2 23,-0.1 -1,-0.1 -0.838 71.6 155.9 -95.7 99.8 42.3 -3.8 53.0 71 103 A T > - 0 0 53 -2,-1.0 3,-1.7 23,-0.0 23,-0.1 -0.704 57.9 -95.7-122.2 174.6 42.7 -3.0 49.4 72 104 A R G > S+ 0 0 44 1,-0.3 3,-1.6 -2,-0.2 18,-0.1 0.735 115.6 68.2 -65.6 -21.9 40.6 -2.2 46.4 73 105 A T G 3 S+ 0 0 54 1,-0.3 76,-1.2 17,-0.1 -1,-0.3 0.674 88.6 68.4 -70.5 -13.8 40.4 -5.7 45.1 74 106 A D G < S+ 0 0 5 -3,-1.7 2,-0.8 74,-0.2 -1,-0.3 0.418 84.0 84.9 -82.1 1.3 38.4 -6.5 48.2 75 107 A I < + 0 0 0 -3,-1.6 2,-0.6 73,-0.1 73,-0.2 -0.808 49.2 156.3-110.9 93.6 35.6 -4.4 46.7 76 108 A C B -F 147 0D 15 71,-2.0 71,-1.6 -2,-0.8 190,-0.2 -0.915 39.4-127.2-122.0 103.9 33.4 -6.4 44.3 77 109 A Q - 0 0 14 188,-2.7 69,-0.1 -2,-0.6 2,-0.1 -0.052 25.2-160.5 -48.0 140.4 29.9 -5.0 43.8 78 110 A G - 0 0 22 2,-0.1 2,-2.2 4,-0.0 67,-0.3 -0.024 50.8 -44.9-104.1-150.7 26.9 -7.3 44.4 79 111 A A S S+ 0 0 68 65,-2.6 2,-0.3 2,-0.1 66,-0.1 -0.279 107.7 92.9 -78.9 55.0 23.3 -7.3 43.3 80 112 A L S S- 0 0 11 -2,-2.2 2,-1.7 93,-0.0 -2,-0.1 -0.991 77.3-127.0-151.0 139.0 22.9 -3.6 44.2 81 113 A G S S+ 0 0 21 -2,-0.3 94,-3.4 1,-0.2 3,-0.3 -0.257 70.9 116.6 -80.9 52.4 23.2 -0.3 42.4 82 114 A D > + 0 0 0 -2,-1.7 4,-2.3 92,-0.2 3,-0.2 -0.235 19.7 131.3-113.1 46.0 25.6 1.2 44.8 83 115 A S H > + 0 0 9 1,-0.2 4,-3.0 2,-0.2 5,-0.3 0.827 69.5 63.6 -64.3 -31.0 28.7 1.7 42.6 84 116 A W H > S+ 0 0 12 -3,-0.3 4,-1.2 2,-0.2 -1,-0.2 0.935 109.4 38.5 -58.4 -46.7 29.0 5.3 43.9 85 117 A L H > S+ 0 0 0 -3,-0.2 4,-2.2 88,-0.2 3,-0.2 0.949 117.4 49.4 -67.5 -50.8 29.6 4.1 47.4 86 118 A L H X S+ 0 0 0 -4,-2.3 4,-2.3 1,-0.2 -2,-0.2 0.852 108.2 53.0 -59.8 -37.5 31.8 1.1 46.4 87 119 A A H X S+ 0 0 0 -4,-3.0 4,-2.0 1,-0.2 -1,-0.2 0.875 109.3 51.4 -66.4 -34.7 34.0 3.2 44.1 88 120 A A H X S+ 0 0 0 -4,-1.2 4,-2.4 -5,-0.3 -2,-0.2 0.921 109.5 48.2 -67.0 -44.6 34.5 5.6 47.1 89 121 A I H X S+ 0 0 1 -4,-2.2 4,-1.7 2,-0.2 -2,-0.2 0.917 109.5 53.2 -62.6 -43.6 35.6 2.7 49.4 90 122 A A H < S+ 0 0 0 -4,-2.3 3,-0.4 1,-0.2 4,-0.3 0.933 112.2 44.4 -56.3 -48.5 38.0 1.3 46.8 91 123 A S H >< S+ 0 0 4 -4,-2.0 3,-2.1 1,-0.2 4,-0.2 0.885 106.3 62.7 -62.4 -39.8 39.6 4.8 46.5 92 124 A L H >< S+ 0 0 0 -4,-2.4 3,-2.2 1,-0.3 7,-0.4 0.864 93.2 62.5 -52.6 -40.8 39.6 5.0 50.3 93 125 A T T 3< S+ 0 0 10 -4,-1.7 -1,-0.3 -3,-0.4 -2,-0.2 0.640 92.0 66.6 -63.4 -14.0 41.9 2.0 50.5 94 126 A L T < S+ 0 0 65 -3,-2.1 2,-0.5 -4,-0.3 -1,-0.3 0.540 95.3 61.7 -84.0 -6.6 44.5 4.0 48.6 95 127 A N <> - 0 0 30 -3,-2.2 4,-2.7 -4,-0.2 3,-0.3 -0.841 66.6-169.3-123.6 92.1 44.8 6.4 51.6 96 128 A E H > S+ 0 0 121 -2,-0.5 4,-2.4 1,-0.2 5,-0.2 0.869 85.4 56.9 -44.5 -48.7 46.0 4.4 54.7 97 129 A T H > S+ 0 0 109 1,-0.2 4,-0.7 2,-0.2 -1,-0.2 0.935 113.6 36.0 -51.7 -56.7 45.3 7.4 57.0 98 130 A I H > S+ 0 0 42 -3,-0.3 4,-2.1 1,-0.2 3,-0.4 0.839 112.5 61.4 -69.6 -33.0 41.6 7.7 56.0 99 131 A L H X S+ 0 0 11 -4,-2.7 4,-2.8 -7,-0.4 -2,-0.2 0.936 103.3 48.8 -58.6 -47.9 41.2 3.9 55.7 100 132 A H H < S+ 0 0 101 -4,-2.4 5,-0.3 -5,-0.2 -1,-0.2 0.724 108.4 56.2 -66.3 -21.9 42.1 3.4 59.4 101 133 A R H < S+ 0 0 99 -4,-0.7 19,-0.2 -3,-0.4 -2,-0.2 0.973 114.2 36.4 -71.3 -56.9 39.7 6.1 60.4 102 134 A V H < S+ 0 0 0 -4,-2.1 18,-1.8 1,-0.2 -2,-0.2 0.864 122.6 45.4 -63.9 -41.1 36.7 4.4 58.7 103 135 A V S < S- 0 0 5 -4,-2.8 -1,-0.2 -5,-0.2 16,-0.1 -0.826 85.6-143.5-110.8 93.2 37.7 0.8 59.5 104 136 A P - 0 0 18 0, 0.0 3,-0.4 0, 0.0 14,-0.1 -0.289 19.8-129.7 -55.1 128.1 38.8 0.6 63.1 105 137 A Y S S+ 0 0 195 -5,-0.3 3,-0.1 1,-0.2 -5,-0.0 -0.316 82.2 58.6 -75.9 164.5 41.7 -1.9 63.4 106 138 A G S S+ 0 0 77 1,-0.3 2,-0.4 -2,-0.0 -1,-0.2 0.622 71.2 129.3 92.6 13.8 41.7 -4.7 65.9 107 139 A Q + 0 0 13 -3,-0.4 -1,-0.3 11,-0.0 2,-0.3 -0.843 25.1 143.6-104.9 139.6 38.5 -6.4 64.7 108 140 A S - 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0 0 17 1,-0.1 126,-0.2 126,-0.1 2,-0.2 -0.272 360.0 -94.2 -68.3 157.9 100.1 16.4 -9.4 324 35 B I E -m 449 0G 85 124,-2.4 126,-3.8 1,-0.1 2,-0.7 -0.510 38.8-115.8 -75.1 139.4 103.8 17.1 -8.6 325 36 B K E > -m 450 0G 95 124,-0.2 3,-1.9 -2,-0.2 2,-0.2 -0.662 24.4-130.6 -82.9 112.6 106.1 14.1 -8.3 326 37 B Y G > S- 0 0 36 124,-2.1 3,-2.1 -2,-0.7 126,-0.2 -0.402 91.3 -7.1 -61.3 126.7 107.5 13.7 -4.8 327 38 B L G 3 S- 0 0 108 1,-0.3 -1,-0.3 -2,-0.2 3,-0.1 0.573 121.8 -76.8 62.1 8.1 111.3 13.2 -5.0 328 39 B G G < S+ 0 0 53 -3,-1.9 2,-0.5 1,-0.3 -1,-0.3 0.523 87.3 152.1 81.7 4.2 110.7 12.9 -8.8 329 40 B Q < - 0 0 30 -3,-2.1 2,-0.7 121,-0.1 -1,-0.3 -0.589 34.0-151.8 -73.1 120.7 109.4 9.4 -8.5 330 41 B D > - 0 0 36 -2,-0.5 4,-2.8 1,-0.2 5,-0.3 -0.850 5.3-159.7-101.6 108.6 106.9 8.8 -11.4 331 42 B Y H > S+ 0 0 16 -2,-0.7 4,-2.8 1,-0.2 5,-0.2 0.911 89.7 42.9 -48.5 -59.9 104.2 6.3 -10.5 332 43 B E H > S+ 0 0 103 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.904 117.0 46.9 -58.9 -44.1 103.2 5.3 -14.1 333 44 B N H > S+ 0 0 101 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.881 114.5 46.7 -67.3 -38.3 106.8 5.1 -15.3 334 45 B L H X S+ 0 0 36 -4,-2.8 4,-2.3 2,-0.2 -2,-0.2 0.924 113.2 49.5 -68.5 -43.7 107.9 3.0 -12.4 335 46 B R H X S+ 0 0 57 -4,-2.8 4,-2.5 -5,-0.3 5,-0.2 0.914 112.3 47.3 -60.4 -46.1 105.0 0.7 -12.6 336 47 B A H X S+ 0 0 51 -4,-2.4 4,-2.6 -5,-0.2 -1,-0.2 0.895 111.1 51.4 -64.4 -41.9 105.5 0.2 -16.4 337 48 B R H X S+ 0 0 168 -4,-2.1 4,-1.8 2,-0.2 -1,-0.2 0.903 111.7 47.2 -63.8 -40.6 109.2 -0.4 -15.9 338 49 B C H <>S+ 0 0 12 -4,-2.3 5,-2.0 2,-0.2 4,-0.5 0.943 113.4 46.9 -66.5 -47.1 108.5 -3.1 -13.2 339 50 B L H ><5S+ 0 0 87 -4,-2.5 3,-1.0 1,-0.2 -2,-0.2 0.917 113.5 50.6 -58.7 -42.8 105.8 -4.8 -15.3 340 51 B Q H 3<5S+ 0 0 152 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.811 113.3 44.4 -64.7 -33.7 108.2 -4.7 -18.3 341 52 B N T 3<5S- 0 0 95 -4,-1.8 -1,-0.2 -5,-0.2 -2,-0.2 0.284 110.1-117.1 -97.0 8.3 111.1 -6.2 -16.3 342 53 B G T < 5S+ 0 0 72 -3,-1.0 2,-0.3 -4,-0.5 -3,-0.2 0.770 76.5 108.8 63.4 28.9 109.1 -8.9 -14.6 343 54 B V < - 0 0 78 -5,-2.0 2,-0.4 -6,-0.2 -1,-0.2 -0.813 66.3-115.3-130.1 170.7 109.7 -7.6 -11.1 344 55 B L - 0 0 65 -2,-0.3 92,-0.2 -3,-0.1 110,-0.1 -0.847 42.7 -96.9-106.6 145.3 107.8 -5.9 -8.2 345 56 B F - 0 0 16 90,-2.8 2,-0.4 -2,-0.4 110,-0.3 -0.287 31.0-169.3 -62.5 139.3 108.7 -2.4 -7.1 346 57 B Q - 0 0 121 108,-0.1 2,-0.9 109,-0.1 91,-0.1 -0.991 26.0-127.8-129.9 120.0 111.0 -1.9 -4.0 347 58 B D > - 0 0 1 -2,-0.4 3,-1.7 3,-0.3 107,-0.1 -0.602 21.3-173.2 -80.5 100.0 111.1 1.8 -2.9 348 59 B D T 3 S+ 0 0 157 -2,-0.9 -1,-0.2 1,-0.3 0, 0.0 0.759 88.2 56.7 -58.0 -27.5 114.6 3.2 -2.6 349 60 B A T 3 S+ 0 0 44 1,-0.3 -1,-0.3 -22,-0.0 -2,-0.1 0.597 128.2 13.2 -82.7 -12.1 113.2 6.3 -1.0 350 61 B F S < S- 0 0 6 -3,-1.7 104,-0.3 137,-0.0 -3,-0.3 -0.368 90.8-169.5-161.6 67.1 111.4 4.4 1.8 351 62 B P - 0 0 44 0, 0.0 2,-2.1 0, 0.0 5,-0.2 -0.078 36.2 -99.4 -64.5 159.0 112.8 0.9 1.8 352 63 B P S S+ 0 0 30 0, 0.0 2,-0.3 0, 0.0 22,-0.2 -0.424 86.0 105.1 -78.5 64.3 111.6 -2.2 3.7 353 64 B V S >> S- 0 0 66 -2,-2.1 3,-1.6 1,-0.0 4,-0.6 -0.850 87.5 -88.4-137.6 172.3 114.2 -1.9 6.5 354 65 B S H >> S+ 0 0 42 -2,-0.3 4,-2.2 1,-0.3 3,-1.4 0.815 116.2 65.7 -53.7 -38.9 114.3 -0.8 10.2 355 66 B H H 34 S+ 0 0 144 1,-0.3 -1,-0.3 2,-0.2 7,-0.0 0.738 98.8 54.2 -58.7 -24.1 115.0 2.9 9.4 356 67 B S H <4 S+ 0 0 4 -3,-1.6 135,-1.8 -5,-0.2 -1,-0.3 0.699 108.5 50.3 -83.0 -18.8 111.5 3.2 7.8 357 68 B L H << S- 0 0 8 -3,-1.4 135,-2.3 -4,-0.6 2,-0.3 0.938 121.7 -80.1 -79.8 -52.3 110.0 1.8 11.0 358 69 B G < - 0 0 2 -4,-2.2 -1,-0.3 4,-0.2 133,-0.0 -0.982 19.6-112.9 174.8-165.6 111.7 4.2 13.4 359 70 B F S S+ 0 0 140 -2,-0.3 6,-0.1 4,-0.2 4,-0.1 0.495 96.5 6.9-135.2 -19.6 114.8 5.2 15.4 360 71 B K S > S+ 0 0 137 3,-0.1 3,-1.5 4,-0.1 5,-0.1 0.455 134.8 22.4-130.3 -82.8 113.9 4.8 19.1 361 72 B E T 3 S+ 0 0 83 1,-0.3 7,-0.4 5,-0.1 8,-0.1 0.852 144.5 27.7 -62.0 -32.7 110.6 3.3 20.2 362 73 B L T 3 S+ 0 0 12 6,-0.1 -1,-0.3 5,-0.1 -4,-0.2 -0.092 98.5 129.2-118.1 30.6 110.5 1.6 16.8 363 74 B G S X S- 0 0 2 -3,-1.5 3,-1.6 -6,-0.1 6,-0.3 -0.287 76.2 -95.5 -79.3 170.7 114.3 1.5 16.3 364 75 B P T 3 S+ 0 0 72 0, 0.0 -1,-0.1 0, 0.0 -5,-0.1 0.810 123.4 47.0 -58.1 -32.7 116.2 -1.7 15.3 365 76 B N T 3 S+ 0 0 163 -6,-0.1 2,-0.3 -5,-0.1 5,-0.0 0.319 88.0 114.6 -93.8 10.2 117.1 -2.6 18.9 366 77 B S X - 0 0 23 -3,-1.6 3,-1.1 1,-0.1 4,-0.3 -0.598 66.8-138.9 -84.1 140.4 113.6 -2.1 20.2 367 78 B S G > S+ 0 0 107 -2,-0.3 3,-0.9 1,-0.2 -1,-0.1 0.757 101.7 67.7 -66.6 -21.2 111.7 -5.0 21.6 368 79 B K G 3 S+ 0 0 107 -7,-0.4 -1,-0.2 1,-0.2 -6,-0.1 0.761 99.9 46.6 -69.8 -26.4 108.6 -3.5 19.9 369 80 B T G X S+ 0 0 17 -3,-1.1 3,-1.9 -6,-0.3 -1,-0.2 0.383 82.7 127.2 -96.9 4.8 110.0 -4.2 16.4 370 81 B Y T < S+ 0 0 189 -3,-0.9 3,-0.1 -4,-0.3 -3,-0.0 -0.418 80.2 8.5 -64.0 128.9 111.0 -7.7 17.3 371 82 B G T 3 S+ 0 0 27 1,-0.3 90,-0.5 -2,-0.2 2,-0.4 0.441 88.2 145.8 82.8 -2.0 109.6 -10.2 14.8 372 83 B I < - 0 0 23 -3,-1.9 2,-0.4 88,-0.1 -1,-0.3 -0.577 25.3-174.9 -73.9 125.8 108.4 -7.5 12.4 373 84 B K E -O 459 0H 116 86,-3.2 86,-2.2 -2,-0.4 2,-0.6 -0.959 25.0-125.0-122.0 140.6 108.7 -8.7 8.8 374 85 B W E +O 458 0H 40 -2,-0.4 2,-0.4 84,-0.2 82,-0.1 -0.764 40.5 167.1 -87.0 118.7 108.0 -6.7 5.7 375 86 B K E -O 457 0H 67 82,-2.5 82,-2.3 -2,-0.6 -2,-0.0 -0.989 32.6-127.2-136.3 142.7 105.5 -8.5 3.5 376 87 B R >> - 0 0 14 -2,-0.4 3,-2.6 80,-0.3 4,-1.4 -0.528 30.3-116.0 -81.7 151.6 103.4 -7.5 0.5 377 88 B P H 3> S+ 0 0 0 0, 0.0 4,-2.5 0, 0.0 -1,-0.1 0.839 118.3 60.8 -56.4 -30.4 99.6 -8.1 0.6 378 89 B T H 34 S+ 0 0 48 1,-0.2 -2,-0.0 2,-0.2 52,-0.0 0.487 104.6 48.3 -74.8 -4.3 100.1 -10.6 -2.3 379 90 B E H <4 S+ 0 0 115 -3,-2.6 -1,-0.2 0, 0.0 3,-0.1 0.646 114.7 45.2-104.1 -24.1 102.4 -12.6 0.0 380 91 B L H < S+ 0 0 42 -4,-1.4 2,-0.3 1,-0.1 -2,-0.2 0.845 118.7 27.9 -87.1 -38.1 99.9 -12.6 2.9 381 92 B L < - 0 0 68 -4,-2.5 -1,-0.1 -5,-0.2 92,-0.0 -0.903 59.3-137.3-131.2 157.0 96.7 -13.4 1.1 382 93 B S S S+ 0 0 131 -2,-0.3 -1,-0.1 1,-0.2 -4,-0.0 0.876 108.1 26.9 -74.3 -38.0 95.5 -15.2 -2.0 383 94 B N S S+ 0 0 90 -3,-0.1 -1,-0.2 -6,-0.1 2,-0.1 -0.508 77.0 174.9-126.0 64.9 93.0 -12.4 -2.8 384 95 B P - 0 0 4 0, 0.0 2,-0.4 0, 0.0 46,-0.3 -0.445 14.1-159.4 -69.7 145.2 94.3 -9.1 -1.4 385 96 B Q B -q 474 0I 44 88,-3.0 90,-2.4 1,-0.2 91,-0.3 -0.971 22.8-150.7-129.2 143.5 92.2 -6.1 -2.4 386 97 B F S S+ 0 0 7 -2,-0.4 90,-2.2 1,-0.3 2,-0.4 0.967 91.5 13.3 -72.0 -54.5 92.9 -2.4 -2.5 387 98 B I - 0 0 70 41,-0.2 2,-0.5 88,-0.1 -1,-0.3 -0.989 67.1-172.4-129.0 127.5 89.3 -1.3 -1.7 388 99 B V S S- 0 0 23 -2,-0.4 83,-0.1 2,-0.4 86,-0.1 -0.978 76.5 -13.0-121.8 123.2 86.5 -3.5 -0.5 389 100 B D S S- 0 0 140 -2,-0.5 -1,-0.2 2,-0.1 3,-0.0 0.896 128.0 -53.8 55.3 43.6 83.0 -2.2 -0.3 390 101 B G S S- 0 0 37 -3,-0.1 2,-1.1 1,-0.1 -2,-0.4 0.254 70.9 -75.6 74.8 156.4 84.2 1.3 -0.8 391 102 B A S S+ 0 0 16 -4,-0.1 2,-0.2 23,-0.1 -1,-0.1 -0.781 71.4 159.3 -90.1 98.1 86.9 3.2 1.1 392 103 B T > - 0 0 51 -2,-1.1 3,-1.9 23,-0.0 23,-0.1 -0.676 56.1 -97.1-118.0 173.0 85.0 4.1 4.3 393 104 B R G > S+ 0 0 49 1,-0.3 3,-1.7 -2,-0.2 18,-0.1 0.754 116.1 67.4 -62.6 -25.2 85.8 5.1 7.9 394 105 B T G 3 S+ 0 0 49 1,-0.3 76,-1.3 17,-0.1 -1,-0.3 0.594 87.4 70.7 -70.9 -8.6 85.5 1.5 9.2 395 106 B D G < S+ 0 0 3 -3,-1.9 2,-0.7 74,-0.2 -1,-0.3 0.374 83.2 85.4 -85.2 2.8 88.6 0.7 7.1 396 107 B I < + 0 0 0 -3,-1.7 2,-0.5 73,-0.1 73,-0.2 -0.868 48.4 154.8-112.3 99.8 90.6 2.8 9.7 397 108 B C B -R 468 0J 13 71,-1.5 71,-1.7 -2,-0.7 190,-0.2 -0.936 40.6-124.3-129.9 107.9 91.7 0.8 12.7 398 109 B Q - 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0 0 28 -3,-1.8 4,-2.8 -4,-0.2 3,-0.5 -0.882 65.4-167.2-127.2 98.7 83.8 13.4 1.3 417 128 B E H > S+ 0 0 126 -2,-0.5 4,-2.7 1,-0.2 5,-0.2 0.833 87.2 59.4 -51.4 -38.1 84.1 11.6 -2.0 418 129 B T H > S+ 0 0 103 2,-0.2 4,-1.0 1,-0.2 -1,-0.2 0.926 113.5 34.0 -60.7 -48.4 85.6 14.7 -3.6 419 130 B I H > S+ 0 0 23 -3,-0.5 4,-2.1 2,-0.2 -2,-0.2 0.861 116.5 56.3 -76.7 -34.9 88.6 15.0 -1.3 420 131 B L H X S+ 0 0 11 -4,-2.8 4,-2.9 -7,-0.4 -2,-0.2 0.923 104.7 53.5 -60.0 -44.4 88.9 11.2 -0.9 421 132 B H H < S+ 0 0 107 -4,-2.7 -1,-0.2 -5,-0.2 -2,-0.2 0.835 108.0 50.3 -60.8 -34.9 89.2 10.8 -4.6 422 133 B R H < S+ 0 0 92 -4,-1.0 -1,-0.2 -5,-0.2 -2,-0.2 0.923 114.7 42.3 -70.2 -43.9 92.1 13.3 -4.7 423 134 B V H < S+ 0 0 0 -4,-2.1 18,-2.0 1,-0.2 -2,-0.2 0.887 120.1 43.3 -71.0 -39.2 94.1 11.6 -1.9 424 135 B V S < S- 0 0 9 -4,-2.9 -1,-0.2 16,-0.2 16,-0.1 -0.804 85.9-143.2-113.6 93.4 93.4 8.1 -3.2 425 136 B P - 0 0 19 0, 0.0 3,-0.4 0, 0.0 14,-0.1 -0.095 22.9-112.9 -51.3 148.7 93.8 7.8 -7.0 426 137 B Y S S+ 0 0 213 1,-0.2 -5,-0.0 -5,-0.1 0, 0.0 -0.393 87.0 41.7 -83.1 159.5 91.4 5.4 -8.8 427 138 B G + 0 0 51 1,-0.3 2,-0.4 -2,-0.1 -1,-0.2 0.640 69.6 139.5 83.6 16.1 92.4 2.2 -10.6 428 139 B Q + 0 0 12 -3,-0.4 2,-0.3 11,-0.1 -1,-0.3 -0.781 22.1 146.0 -95.8 134.3 94.8 0.7 -8.1 429 140 B S - 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