==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LIGASE 13-NOV-08 3F92 . COMPND 2 MOLECULE: UBIQUITIN-CONJUGATING ENZYME E2 K, CHIMERA WITH . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR R.C.WILSON,R.C.HUGHES,J.W.FLATT,E.J.MEEHAN,J.D.NG,P.D.TWIGG . 201 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10057.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 136 67.7 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 . 25 12.4 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 1.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.5 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 . 7 3.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 20 10.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 72 35.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 2.5 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 1 0 0 0 1 1 1 0 1 1 0 1 1 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 . 3 0 0 1 1 0 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 1 0 1 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 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 0 A D 0 0 181 0, 0.0 2,-0.2 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 154.0 33.6 -20.1 0.5 2 1 A M - 0 0 13 34,-0.3 63,-0.1 1,-0.2 64,-0.1 -0.512 360.0 -71.3 -88.7 168.6 34.1 -23.6 -1.1 3 2 A A > - 0 0 52 62,-0.3 4,-2.8 -2,-0.2 5,-0.2 -0.228 47.3-110.1 -55.4 149.5 37.5 -25.2 -1.3 4 3 A N H > S+ 0 0 116 1,-0.2 4,-2.5 2,-0.2 5,-0.3 0.860 116.6 54.0 -54.7 -40.6 40.0 -23.7 -3.7 5 4 A I H > S+ 0 0 86 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.931 112.1 45.8 -65.2 -39.0 39.9 -26.6 -6.2 6 5 A A H > S+ 0 0 0 -3,-0.2 4,-2.5 59,-0.2 -2,-0.2 0.939 115.0 47.6 -66.5 -49.9 36.1 -26.3 -6.5 7 6 A V H X S+ 0 0 13 -4,-2.8 4,-2.3 1,-0.2 -2,-0.2 0.879 113.6 45.3 -57.8 -46.7 36.2 -22.4 -6.8 8 7 A Q H X S+ 0 0 85 -4,-2.5 4,-1.9 -5,-0.2 -1,-0.2 0.836 112.7 50.9 -70.9 -35.8 38.9 -22.4 -9.4 9 8 A R H X S+ 0 0 30 -4,-1.7 4,-2.3 -5,-0.3 -2,-0.2 0.940 113.2 45.6 -65.8 -46.5 37.3 -25.1 -11.5 10 9 A I H X S+ 0 0 0 -4,-2.5 4,-2.5 2,-0.2 -2,-0.2 0.898 112.1 49.6 -64.4 -43.4 33.9 -23.4 -11.4 11 10 A K H X S+ 0 0 91 -4,-2.3 4,-2.2 1,-0.2 -1,-0.2 0.912 113.5 48.9 -59.8 -42.3 35.3 -19.9 -12.3 12 11 A R H X S+ 0 0 156 -4,-1.9 4,-2.0 2,-0.2 -2,-0.2 0.880 113.4 44.2 -67.2 -39.1 37.2 -21.5 -15.1 13 12 A E H X S+ 0 0 3 -4,-2.3 4,-2.0 2,-0.2 -2,-0.2 0.846 111.2 54.3 -74.6 -30.5 34.2 -23.5 -16.5 14 13 A F H X S+ 0 0 38 -4,-2.5 4,-2.5 2,-0.2 -2,-0.2 0.932 110.5 46.0 -66.4 -48.1 31.9 -20.5 -16.2 15 14 A K H X S+ 0 0 113 -4,-2.2 4,-2.1 1,-0.2 -2,-0.2 0.892 110.4 54.8 -58.4 -41.8 34.4 -18.4 -18.2 16 15 A E H < S+ 0 0 67 -4,-2.0 4,-0.5 2,-0.2 -2,-0.2 0.887 108.3 46.9 -60.4 -43.9 34.6 -21.2 -20.7 17 16 A V H >< S+ 0 0 0 -4,-2.0 3,-1.3 2,-0.2 6,-0.4 0.950 111.2 53.7 -63.0 -47.6 30.8 -21.2 -21.2 18 17 A L H 3< S+ 0 0 97 -4,-2.5 -2,-0.2 1,-0.3 -1,-0.2 0.868 116.1 37.8 -48.8 -46.7 30.9 -17.3 -21.6 19 18 A K T 3< S+ 0 0 175 -4,-2.1 -1,-0.3 -5,-0.1 -2,-0.2 0.396 94.1 117.6 -84.9 -2.2 33.5 -17.5 -24.4 20 19 A S <> - 0 0 12 -3,-1.3 4,-1.6 -4,-0.5 5,-0.1 -0.336 68.5-132.4 -75.6 153.2 32.2 -20.6 -26.1 21 20 A E H > S+ 0 0 151 2,-0.2 4,-2.3 1,-0.2 6,-0.2 0.870 108.3 62.0 -60.7 -45.4 30.9 -20.7 -29.7 22 21 A E H 4>S+ 0 0 48 1,-0.2 5,-2.8 2,-0.2 6,-0.7 0.899 106.3 44.6 -49.6 -42.4 27.8 -22.7 -28.3 23 22 A T H >45S+ 0 0 30 -6,-0.4 3,-1.2 3,-0.2 -1,-0.2 0.860 111.9 51.1 -75.3 -33.3 26.9 -19.6 -26.2 24 23 A S H 3<5S+ 0 0 97 -4,-1.6 -2,-0.2 1,-0.2 -1,-0.2 0.828 109.4 51.3 -72.3 -24.4 27.5 -17.1 -29.0 25 24 A K T 3<5S- 0 0 97 -4,-2.3 -1,-0.2 -5,-0.1 -2,-0.2 0.209 119.0-117.3 -83.8 10.0 25.2 -19.4 -31.2 26 25 A N T < 5S+ 0 0 96 -3,-1.2 -3,-0.2 -5,-0.2 -2,-0.1 0.701 81.4 121.3 56.7 26.7 22.7 -19.2 -28.4 27 26 A Q S - 0 0 62 5,-1.5 3,-2.7 1,-0.1 -1,-0.3 -0.937 66.7-143.1-128.6 122.6 25.2 -17.1 -6.1 35 34 A E T 3 S+ 0 0 95 -2,-0.4 -1,-0.1 1,-0.3 -3,-0.0 0.806 106.4 62.4 -49.0 -31.3 28.4 -14.9 -5.5 36 35 A N T 3 S- 0 0 38 1,-0.1 -34,-0.3 -35,-0.1 -1,-0.3 0.450 106.5-126.6 -68.5 -16.3 29.7 -18.2 -3.8 37 36 A F S < S+ 0 0 34 -3,-2.7 -2,-0.1 2,-0.2 3,-0.1 0.522 81.1 111.0 74.2 7.9 29.5 -20.4 -7.1 38 37 A T S S+ 0 0 41 1,-0.2 25,-2.7 24,-0.1 2,-0.4 0.656 74.7 43.5 -86.9 -16.4 27.4 -23.1 -5.4 39 38 A E E + B 0 62A 45 23,-0.2 -6,-1.7 -5,-0.2 -5,-1.5 -0.992 65.8 169.6-137.2 127.4 24.3 -22.3 -7.3 40 39 A L E -AB 32 61A 0 21,-3.0 21,-2.4 -2,-0.4 2,-0.5 -0.903 25.6-139.6-130.2 156.0 23.9 -21.7 -11.0 41 40 A R E -AB 31 60A 49 -10,-2.4 -10,-2.6 -2,-0.3 2,-0.2 -0.993 23.5-166.3-115.4 125.0 21.2 -21.4 -13.5 42 41 A G E -AB 30 59A 1 17,-2.2 17,-2.6 -2,-0.5 2,-0.4 -0.696 6.8-161.3-100.3 163.9 21.7 -22.9 -16.9 43 42 A E E -AB 29 58A 26 -14,-2.4 -14,-1.9 -2,-0.2 2,-0.3 -0.988 7.5-178.0-145.0 131.0 19.8 -22.6 -20.2 44 43 A I E -AB 28 57A 0 13,-2.0 13,-2.9 -2,-0.4 2,-0.3 -0.974 22.6-129.1-124.4 149.2 19.9 -24.9 -23.2 45 44 A A E - B 0 56A 10 -18,-2.4 11,-0.2 -2,-0.3 8,-0.1 -0.715 35.7-104.2 -90.4 143.2 18.1 -24.6 -26.6 46 45 A G - 0 0 7 9,-2.4 8,-0.5 6,-0.5 69,-0.1 -0.426 43.5-106.8 -65.4 138.2 16.1 -27.6 -27.9 47 46 A P > - 0 0 10 0, 0.0 3,-0.7 0, 0.0 6,-0.2 -0.343 39.1 -98.3 -69.2 156.5 17.9 -29.4 -30.6 48 47 A P T 3 S+ 0 0 76 0, 0.0 4,-0.1 0, 0.0 -3,-0.0 -0.323 103.6 27.7 -73.1 152.5 16.7 -29.0 -34.2 49 48 A D T 3 S+ 0 0 154 1,-0.3 0, 0.0 2,-0.0 0, 0.0 0.787 102.5 99.3 66.4 32.4 14.5 -31.7 -35.7 50 49 A T S X S- 0 0 30 -3,-0.7 3,-1.7 -4,-0.1 -1,-0.3 -0.913 91.2-103.5-132.3 164.4 13.1 -32.7 -32.3 51 50 A P T 3 S+ 0 0 23 0, 0.0 99,-0.1 0, 0.0 -5,-0.1 0.742 120.4 61.3 -58.8 -18.0 9.8 -31.8 -30.6 52 51 A Y T > S+ 0 0 4 66,-0.2 3,-2.3 -5,-0.2 -6,-0.5 0.502 72.7 127.2 -88.3 -9.4 11.9 -29.4 -28.5 53 52 A E T < S+ 0 0 94 -3,-1.7 3,-0.1 1,-0.3 -8,-0.0 -0.245 75.0 22.0 -55.0 134.0 13.1 -27.2 -31.3 54 53 A G T 3 S+ 0 0 47 -8,-0.5 -1,-0.3 1,-0.4 2,-0.1 0.161 102.6 113.6 91.7 -17.4 12.5 -23.5 -30.7 55 54 A G < - 0 0 2 -3,-2.3 -9,-2.4 -8,-0.1 2,-0.4 -0.463 54.3-151.4 -85.1 159.9 12.3 -24.1 -27.0 56 55 A R E -B 45 0A 70 98,-1.8 2,-0.5 -11,-0.2 -11,-0.2 -0.997 12.5-157.7-129.9 128.9 14.6 -22.8 -24.3 57 56 A Y E -B 44 0A 1 -13,-2.9 -13,-2.0 -2,-0.4 2,-0.3 -0.957 5.1-146.3-120.0 118.3 15.0 -24.9 -21.1 58 57 A Q E -B 43 0A 64 -2,-0.5 19,-2.2 -15,-0.2 20,-1.7 -0.605 15.3-160.1 -86.5 143.1 16.2 -23.6 -17.8 59 58 A L E -BC 42 76A 0 -17,-2.6 -17,-2.2 -2,-0.3 2,-0.5 -0.956 16.4-140.0-128.2 140.7 18.2 -25.7 -15.4 60 59 A E E -BC 41 75A 37 15,-3.2 15,-2.2 -2,-0.3 2,-0.5 -0.890 25.0-171.2 -98.9 119.9 19.0 -25.5 -11.7 61 60 A I E -BC 40 74A 5 -21,-2.4 -21,-3.0 -2,-0.5 2,-0.5 -0.981 6.1-171.3-120.0 118.3 22.6 -26.5 -11.2 62 61 A K E -BC 39 73A 94 11,-3.2 11,-2.7 -2,-0.5 -23,-0.2 -0.941 15.0-144.2-110.1 126.6 23.9 -27.0 -7.7 63 62 A I - 0 0 12 -25,-2.7 2,-0.1 -2,-0.5 -2,-0.0 -0.773 16.6-133.3 -93.5 127.2 27.6 -27.4 -7.3 64 63 A P > - 0 0 12 0, 0.0 3,-1.9 0, 0.0 6,-0.1 -0.383 17.9-119.2 -74.9 152.5 28.8 -29.9 -4.5 65 64 A E T 3 S+ 0 0 135 1,-0.3 -62,-0.3 -2,-0.1 -59,-0.2 0.754 115.3 60.0 -57.4 -27.7 31.5 -29.2 -2.0 66 65 A T T > S+ 0 0 69 5,-0.1 3,-2.2 2,-0.1 -1,-0.3 0.338 88.6 169.8 -86.2 8.3 33.4 -32.1 -3.5 67 66 A Y T < + 0 0 1 -3,-1.9 -58,-0.1 1,-0.3 -57,-0.1 -0.346 56.5 26.0 -66.0 143.0 33.6 -30.6 -7.0 68 67 A P T 3 S+ 0 0 2 0, 0.0 -1,-0.3 0, 0.0 37,-0.2 -0.924 120.8 57.4 -89.2 14.5 35.2 -31.6 -9.5 69 68 A F S < S+ 0 0 128 -3,-2.2 -2,-0.2 -5,-0.1 34,-0.1 0.585 110.7 41.8 -93.3 -7.3 35.1 -35.2 -8.1 70 69 A N S S- 0 0 80 -4,-0.2 32,-0.1 -6,-0.1 28,-0.0 -0.949 93.1-105.3-130.9 152.2 31.3 -35.4 -7.9 71 70 A P - 0 0 20 0, 0.0 -5,-0.1 0, 0.0 26,-0.1 -0.314 35.8 -98.8 -70.2 160.7 28.9 -34.1 -10.5 72 71 A P - 0 0 3 0, 0.0 2,-0.6 0, 0.0 -9,-0.2 -0.313 36.1-114.8 -69.9 153.0 26.7 -31.1 -10.2 73 72 A K E -C 62 0A 131 -11,-2.7 -11,-3.2 2,-0.0 2,-0.4 -0.898 43.5-174.2 -88.1 118.6 23.1 -31.7 -9.1 74 73 A V E +C 61 0A 17 -2,-0.6 18,-0.6 -13,-0.2 2,-0.3 -0.963 14.0 169.6-125.2 137.7 21.0 -30.7 -12.1 75 74 A R E -CD 60 91A 82 -15,-2.2 -15,-3.2 -2,-0.4 2,-0.5 -0.996 36.3-113.5-143.4 141.4 17.3 -30.4 -12.5 76 75 A F E -C 59 0A 3 14,-2.3 -17,-0.3 -2,-0.3 4,-0.1 -0.609 23.2-176.7 -70.0 121.3 15.1 -28.9 -15.2 77 76 A I S S+ 0 0 62 -19,-2.2 2,-0.3 -2,-0.5 -18,-0.2 0.866 71.3 73.6 -83.0 -42.4 13.2 -25.9 -14.0 78 77 A T S S- 0 0 15 -20,-1.7 2,-0.1 1,-0.1 76,-0.1 -0.580 97.1-112.6 -73.9 130.6 11.3 -25.6 -17.3 79 78 A K + 0 0 76 -2,-0.3 2,-0.3 74,-0.1 74,-0.1 -0.422 42.9 178.8 -69.3 143.0 8.7 -28.3 -17.6 80 79 A I - 0 0 3 6,-0.3 2,-0.7 -2,-0.1 10,-0.1 -0.995 31.8-135.6-150.1 143.7 9.4 -30.9 -20.3 81 80 A W + 0 0 1 -2,-0.3 5,-0.1 65,-0.2 69,-0.1 -0.884 53.0 128.6-104.8 102.0 7.9 -34.1 -21.7 82 81 A H B > -E 85 0B 0 -2,-0.7 3,-1.5 3,-0.5 50,-0.2 -0.984 63.3-121.7-156.2 137.7 10.7 -36.6 -22.1 83 82 A P T 3 S+ 0 0 0 0, 0.0 44,-2.9 0, 0.0 45,-2.2 0.777 111.6 43.9 -54.8 -27.5 11.3 -40.3 -21.1 84 83 A N T 3 S+ 0 0 4 42,-0.3 9,-3.1 43,-0.2 2,-0.4 0.214 106.4 67.4-107.7 14.7 14.5 -39.5 -19.1 85 84 A I B < S-EF 82 92B 0 -3,-1.5 -3,-0.5 7,-0.2 2,-0.3 -0.999 87.8-113.6-131.3 135.8 13.2 -36.4 -17.3 86 85 A S > - 0 0 17 5,-2.4 4,-1.7 -2,-0.4 -6,-0.3 -0.506 13.4-152.0 -70.7 123.0 10.5 -36.2 -14.7 87 86 A S T 4 S+ 0 0 15 -2,-0.3 -1,-0.2 1,-0.1 -7,-0.1 0.736 98.0 41.6 -60.8 -20.3 7.4 -34.3 -16.0 88 87 A V T 4 S+ 0 0 110 -9,-0.1 -1,-0.1 3,-0.1 -2,-0.0 0.913 129.5 16.6 -94.6 -53.9 6.8 -33.5 -12.3 89 88 A T T 4 S- 0 0 71 2,-0.1 -2,-0.1 -10,-0.0 3,-0.1 0.600 87.8-123.2 -97.9 -16.1 10.1 -32.7 -10.6 90 89 A G < + 0 0 7 -4,-1.7 -14,-2.3 1,-0.2 -3,-0.1 0.434 55.3 159.6 76.5 2.7 12.5 -32.0 -13.6 91 90 A A B -D 75 0A 32 -16,-0.2 -5,-2.4 -6,-0.1 2,-0.4 -0.314 31.9-137.2 -59.3 144.1 14.8 -34.7 -12.1 92 91 A I B -F 85 0B 19 -18,-0.6 2,-0.8 -7,-0.2 -7,-0.2 -0.889 13.3-153.2-119.0 130.2 17.2 -36.1 -14.9 93 92 A C + 0 0 12 -9,-3.1 2,-0.3 -2,-0.4 34,-0.1 -0.874 44.8 134.8 -98.0 97.8 18.2 -39.7 -15.7 94 93 A L > - 0 0 26 -2,-0.8 3,-1.6 1,-0.1 4,-0.4 -0.967 54.9-135.4-149.9 130.0 21.7 -39.3 -17.3 95 94 A D G > >S+ 0 0 80 -2,-0.3 5,-3.1 1,-0.3 3,-1.4 0.824 102.7 60.5 -65.1 -31.8 24.7 -41.4 -16.4 96 95 A I G 3 5S+ 0 0 16 1,-0.3 -1,-0.3 4,-0.3 6,-0.1 0.734 105.7 49.2 -66.4 -20.9 27.2 -38.4 -16.2 97 96 A L G < 5S+ 0 0 28 -3,-1.6 -1,-0.3 -26,-0.1 -2,-0.2 0.514 126.3 25.2 -93.4 -5.1 25.0 -37.0 -13.4 98 97 A K T X 5S- 0 0 116 -3,-1.4 3,-0.5 -4,-0.4 -3,-0.1 0.394 134.7 -13.7-121.1-100.8 25.1 -40.4 -11.6 99 98 A D T 3 5S+ 0 0 111 1,-0.2 -3,-0.2 3,-0.0 -4,-0.1 0.534 123.5 59.8 -96.9 -7.3 27.8 -43.1 -12.0 100 99 A Q T 3 < + 0 0 106 -5,-3.1 -4,-0.3 -6,-0.1 -1,-0.2 0.261 66.8 132.3-111.7 17.7 29.7 -41.9 -15.1 101 100 A W < - 0 0 31 -3,-0.5 2,-0.3 -6,-0.4 -4,-0.1 -0.370 35.7-166.6 -60.8 145.3 30.8 -38.5 -13.9 102 101 A A > - 0 0 45 -6,-0.1 3,-1.9 -32,-0.1 -32,-0.1 -0.965 29.5-123.5-135.7 146.1 34.6 -37.9 -14.6 103 102 A A T 3 S+ 0 0 36 -2,-0.3 -33,-0.1 1,-0.3 -2,-0.0 0.728 107.7 66.2 -69.7 -23.1 36.5 -35.0 -13.1 104 103 A A T 3 S+ 0 0 90 -35,-0.1 -1,-0.3 2,-0.0 2,-0.1 0.558 80.9 103.4 -69.9 -13.0 37.5 -33.8 -16.6 105 104 A M < - 0 0 45 -3,-1.9 2,-0.2 -37,-0.2 -4,-0.0 -0.442 56.1-160.8 -73.9 157.1 33.9 -32.9 -17.4 106 105 A T > - 0 0 18 -2,-0.1 4,-2.1 1,-0.1 5,-0.2 -0.717 37.6 -98.4-133.6 164.7 32.7 -29.3 -17.3 107 106 A L H > S+ 0 0 3 -2,-0.2 4,-2.3 2,-0.2 5,-0.2 0.912 124.7 53.4 -47.8 -45.6 29.6 -27.1 -17.0 108 107 A R H > S+ 0 0 64 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.930 108.7 46.6 -60.4 -48.6 29.8 -26.8 -20.8 109 108 A T H > S+ 0 0 43 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.852 110.4 53.2 -71.0 -26.7 29.9 -30.5 -21.4 110 109 A V H X S+ 0 0 5 -4,-2.1 4,-1.7 2,-0.2 -1,-0.2 0.925 111.1 45.7 -68.6 -43.2 27.1 -31.1 -19.1 111 110 A L H X S+ 0 0 2 -4,-2.3 4,-1.9 2,-0.2 -2,-0.2 0.917 114.7 48.7 -62.9 -44.0 24.8 -28.6 -20.9 112 111 A L H X S+ 0 0 38 -4,-2.5 4,-1.9 1,-0.2 -1,-0.2 0.863 109.9 52.0 -65.4 -31.6 25.9 -30.1 -24.2 113 112 A S H X S+ 0 0 41 -4,-1.9 4,-1.7 -5,-0.2 -1,-0.2 0.789 107.2 52.1 -73.5 -33.2 25.2 -33.5 -23.0 114 113 A L H X S+ 0 0 0 -4,-1.7 4,-1.5 2,-0.2 -2,-0.2 0.881 108.6 50.9 -70.7 -37.8 21.7 -32.5 -21.8 115 114 A Q H X S+ 0 0 27 -4,-1.9 4,-1.0 1,-0.2 3,-0.3 0.917 109.9 50.5 -63.5 -42.0 20.9 -31.1 -25.3 116 115 A A H X S+ 0 0 59 -4,-1.9 4,-0.7 1,-0.2 3,-0.3 0.863 105.8 56.1 -62.8 -37.8 22.1 -34.3 -26.8 117 116 A L H >< S+ 0 0 15 -4,-1.7 3,-0.7 1,-0.2 -1,-0.2 0.885 102.5 55.3 -59.3 -36.8 19.8 -36.2 -24.4 118 117 A L H 3< S+ 0 0 7 -4,-1.5 3,-0.3 -3,-0.3 -1,-0.2 0.790 110.7 47.0 -63.3 -27.5 16.8 -34.2 -25.7 119 118 A A H 3< S+ 0 0 59 -4,-1.0 -1,-0.2 -3,-0.3 -2,-0.2 0.532 122.3 33.0 -95.2 -8.5 17.8 -35.4 -29.2 120 119 A A S << S- 0 0 69 -3,-0.7 -1,-0.2 -4,-0.7 -2,-0.1 -0.569 74.2-171.8-149.2 79.6 18.2 -39.1 -28.2 121 120 A A - 0 0 17 -3,-0.3 -3,-0.1 -2,-0.1 -4,-0.0 -0.320 16.5-146.1 -70.8 153.2 15.9 -40.4 -25.4 122 121 A E > + 0 0 96 3,-0.2 3,-1.3 1,-0.1 -1,-0.1 -0.834 20.3 176.2-120.3 89.6 16.4 -43.8 -23.9 123 122 A P T 3 S+ 0 0 15 0, 0.0 -1,-0.1 0, 0.0 13,-0.1 0.647 73.2 66.2 -71.4 -19.2 12.8 -45.1 -23.1 124 123 A D T 3 S+ 0 0 112 1,-0.2 -2,-0.0 12,-0.0 8,-0.0 0.485 109.5 38.3 -85.1 -3.4 14.0 -48.5 -21.9 125 124 A D S < S+ 0 0 95 -3,-1.3 -1,-0.2 -32,-0.1 -3,-0.2 -0.593 95.7 177.6-131.3 74.4 15.8 -46.9 -18.9 126 125 A P - 0 0 52 0, 0.0 -42,-0.3 0, 0.0 3,-0.2 -0.344 42.3-163.9 -91.4 160.6 13.2 -44.1 -18.0 127 126 A Q S S+ 0 0 82 -44,-2.9 2,-0.5 1,-0.3 -43,-0.2 0.683 95.7 39.6 -94.1 -36.4 12.9 -41.4 -15.4 128 127 A D > - 0 0 19 -45,-2.2 4,-2.5 1,-0.1 -1,-0.3 -0.931 68.0-169.6-119.0 104.6 9.2 -41.0 -16.2 129 128 A A H > S+ 0 0 59 -2,-0.5 4,-2.5 1,-0.2 5,-0.2 0.838 87.3 53.3 -65.5 -39.2 7.3 -44.3 -16.9 130 129 A V H > S+ 0 0 68 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.962 113.5 43.1 -62.4 -48.9 4.1 -42.6 -18.2 131 130 A V H > S+ 0 0 0 1,-0.2 4,-2.5 2,-0.2 -2,-0.2 0.926 114.2 50.9 -61.7 -44.2 6.2 -40.6 -20.8 132 131 A A H X S+ 0 0 1 -4,-2.5 4,-2.1 -49,-0.3 5,-0.2 0.889 108.6 52.0 -60.8 -41.2 8.3 -43.6 -21.7 133 132 A N H X S+ 0 0 79 -4,-2.5 4,-3.5 1,-0.2 5,-0.3 0.957 110.6 47.3 -61.0 -48.3 5.2 -45.7 -22.3 134 133 A Q H X S+ 0 0 18 -4,-2.2 4,-2.5 1,-0.2 8,-0.4 0.888 108.9 55.5 -60.9 -41.4 3.7 -43.1 -24.6 135 134 A Y H < S+ 0 0 80 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.2 0.891 118.7 33.6 -53.1 -47.0 7.1 -42.8 -26.5 136 135 A K H < S+ 0 0 105 -4,-2.1 -2,-0.2 -5,-0.1 -1,-0.2 0.934 124.3 41.3 -77.8 -45.5 7.0 -46.6 -27.1 137 136 A Q H < S+ 0 0 151 -4,-3.5 -3,-0.2 1,-0.3 -2,-0.2 0.808 133.6 12.6 -81.4 -27.3 3.3 -47.2 -27.5 138 137 A N X + 0 0 75 -4,-2.5 4,-2.2 -5,-0.3 3,-0.5 -0.604 64.5 176.7-149.7 77.2 2.3 -44.1 -29.6 139 138 A P H > S+ 0 0 67 0, 0.0 4,-2.4 0, 0.0 5,-0.1 0.819 82.9 51.3 -54.9 -38.9 5.4 -42.3 -31.0 140 139 A E H > S+ 0 0 110 2,-0.2 4,-1.7 1,-0.2 5,-0.1 0.856 109.9 49.5 -71.6 -34.0 3.4 -39.7 -32.9 141 140 A M H > S+ 0 0 31 -3,-0.5 4,-2.6 -7,-0.2 -1,-0.2 0.892 110.7 50.8 -67.8 -40.6 1.3 -38.9 -29.8 142 141 A F H X S+ 0 0 10 -4,-2.2 4,-3.2 -8,-0.4 5,-0.3 0.947 108.6 52.2 -56.8 -48.3 4.5 -38.5 -27.9 143 142 A K H X S+ 0 0 98 -4,-2.4 4,-2.0 1,-0.2 -1,-0.2 0.894 112.3 44.9 -55.6 -43.5 5.9 -36.1 -30.5 144 143 A Q H X S+ 0 0 36 -4,-1.7 4,-2.1 2,-0.2 16,-0.4 0.894 113.6 49.2 -77.2 -37.5 2.8 -33.9 -30.4 145 144 A T H X S+ 0 0 0 -4,-2.6 4,-3.0 2,-0.2 5,-0.3 0.967 111.3 48.9 -60.9 -52.1 2.7 -33.9 -26.6 146 145 A A H X S+ 0 0 0 -4,-3.2 4,-2.8 1,-0.2 -65,-0.2 0.936 113.0 49.3 -53.1 -44.8 6.5 -32.9 -26.3 147 146 A R H X S+ 0 0 83 -4,-2.0 4,-2.7 -5,-0.3 -1,-0.2 0.907 109.0 50.9 -63.5 -39.8 5.9 -30.2 -28.9 148 147 A L H X S+ 0 0 0 -4,-2.1 4,-3.3 2,-0.2 5,-0.2 0.949 112.0 47.8 -64.7 -46.9 2.9 -28.9 -27.0 149 148 A W H X>S+ 0 0 2 -4,-3.0 4,-2.5 2,-0.2 5,-0.7 0.893 110.1 52.8 -57.6 -38.9 4.9 -28.8 -23.8 150 149 A A H X5S+ 0 0 0 -4,-2.8 6,-1.8 -5,-0.3 4,-1.7 0.959 113.1 44.9 -61.6 -42.8 7.7 -27.0 -25.6 151 150 A H H X5S+ 0 0 72 -4,-2.7 4,-0.8 7,-0.3 -2,-0.2 0.959 119.1 39.5 -65.8 -52.5 5.3 -24.4 -26.9 152 151 A V H <5S+ 0 0 31 -4,-3.3 -2,-0.2 -5,-0.2 -1,-0.2 0.920 133.1 18.6 -69.3 -40.9 3.5 -23.9 -23.6 153 152 A Y H <5S+ 0 0 50 -4,-2.5 -3,-0.2 -5,-0.2 -2,-0.2 0.772 130.7 37.8-103.1 -26.8 6.5 -24.0 -21.2 154 153 A A H < - 0 0 21 -16,-0.4 4,-2.3 -2,-0.3 5,-0.1 -0.362 30.7-151.8 -59.7 125.1 -1.5 -29.3 -32.1 161 160 A P H > S+ 0 0 107 0, 0.0 4,-1.8 0, 0.0 5,-0.2 0.843 101.0 57.5 -50.2 -41.9 -4.7 -27.2 -32.6 162 161 A E H > S+ 0 0 103 2,-0.2 4,-1.9 1,-0.2 3,-0.2 0.967 110.8 40.9 -55.1 -54.3 -6.5 -30.3 -31.5 163 162 A Y H > S+ 0 0 11 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.894 110.6 55.7 -62.8 -49.4 -4.6 -30.4 -28.2 164 163 A T H X S+ 0 0 63 -4,-2.3 4,-2.2 1,-0.2 -1,-0.2 0.845 107.2 51.7 -53.0 -36.0 -4.7 -26.7 -27.6 165 164 A K H X S+ 0 0 164 -4,-1.8 4,-2.2 -3,-0.2 -2,-0.2 0.924 107.3 51.7 -73.2 -41.4 -8.5 -26.9 -27.9 166 165 A K H X S+ 0 0 53 -4,-1.9 4,-2.2 1,-0.2 -2,-0.2 0.916 111.2 48.4 -57.3 -40.6 -8.8 -29.6 -25.3 167 166 A I H X S+ 0 0 11 -4,-2.2 4,-2.2 1,-0.2 -1,-0.2 0.918 111.6 48.0 -64.9 -47.0 -6.7 -27.6 -22.9 168 167 A E H X S+ 0 0 60 -4,-2.2 4,-2.2 2,-0.2 -1,-0.2 0.822 110.3 54.2 -66.1 -31.5 -8.8 -24.5 -23.4 169 168 A N H X S+ 0 0 96 -4,-2.2 4,-1.7 2,-0.2 -2,-0.2 0.970 113.1 41.4 -63.4 -50.1 -12.0 -26.5 -22.9 170 169 A L H <>S+ 0 0 7 -4,-2.2 5,-1.8 1,-0.2 -2,-0.2 0.806 115.2 49.9 -72.6 -31.6 -10.9 -27.9 -19.6 171 170 A C H ><5S+ 0 0 37 -4,-2.2 3,-1.3 3,-0.2 -1,-0.2 0.876 109.2 51.0 -70.5 -43.8 -9.4 -24.6 -18.4 172 171 A A H 3<5S+ 0 0 90 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.826 102.2 63.2 -58.5 -32.5 -12.6 -22.8 -19.3 173 172 A A T 3<5S- 0 0 65 -4,-1.7 -1,-0.2 -5,-0.1 -2,-0.2 0.463 129.1 -98.8 -68.4 -4.7 -14.4 -25.6 -17.2 174 173 A G T < 5S+ 0 0 67 -3,-1.3 2,-0.2 1,-0.3 -3,-0.2 0.526 77.4 135.0 106.3 6.0 -12.4 -24.2 -14.3 175 174 A F < - 0 0 43 -5,-1.8 -1,-0.3 1,-0.1 2,-0.1 -0.607 65.0 -93.5 -85.8 150.7 -9.4 -26.4 -13.9 176 175 A D > - 0 0 105 -2,-0.2 4,-2.5 1,-0.1 3,-0.3 -0.386 34.1-129.4 -57.4 127.4 -5.8 -25.3 -13.3 177 176 A R H > S+ 0 0 129 1,-0.2 4,-2.2 2,-0.2 5,-0.1 0.853 106.0 46.3 -52.5 -42.6 -4.0 -25.0 -16.7 178 177 A N H > S+ 0 0 60 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.841 110.1 52.3 -70.0 -38.8 -1.0 -27.1 -15.6 179 178 A A H > S+ 0 0 28 -3,-0.3 4,-3.0 2,-0.2 -2,-0.2 0.904 110.9 50.2 -60.2 -40.3 -3.1 -29.8 -14.0 180 179 A V H X S+ 0 0 0 -4,-2.5 4,-3.4 2,-0.2 5,-0.3 0.938 108.7 49.7 -63.3 -47.4 -5.0 -30.0 -17.3 181 180 A I H X S+ 0 0 0 -4,-2.2 4,-2.8 1,-0.2 5,-0.2 0.938 116.1 44.8 -58.5 -43.3 -1.9 -30.3 -19.5 182 181 A V H X S+ 0 0 52 -4,-2.0 4,-2.6 2,-0.2 -2,-0.2 0.916 114.3 46.8 -67.6 -48.0 -0.7 -33.1 -17.2 183 182 A A H X S+ 0 0 2 -4,-3.0 4,-1.4 2,-0.2 6,-0.2 0.949 117.7 42.4 -57.9 -51.1 -4.0 -34.9 -17.0 184 183 A L H <>S+ 0 0 0 -4,-3.4 5,-2.9 2,-0.2 3,-0.4 0.944 115.5 49.4 -65.0 -46.6 -4.5 -34.8 -20.7 185 184 A S H ><5S+ 0 0 0 -4,-2.8 3,-0.8 -5,-0.3 -1,-0.2 0.894 114.4 45.3 -58.8 -44.2 -0.9 -35.7 -21.5 186 185 A S H 3<5S+ 0 0 39 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.710 111.7 52.7 -69.9 -24.6 -0.9 -38.6 -19.1 187 186 A K T ><5S- 0 0 84 -4,-1.4 3,-1.9 -3,-0.4 -1,-0.2 -0.100 117.5-102.6-106.4 34.7 -4.3 -39.9 -20.3 188 187 A S T < 5S- 0 0 76 -3,-0.8 -3,-0.2 1,-0.3 3,-0.1 0.760 72.7 -65.8 56.5 26.3 -3.6 -40.1 -24.1 189 188 A W T 3 - 0 0 67 -3,-1.9 4,-2.5 -6,-0.3 5,-0.3 -0.726 36.5-155.2 -87.1 107.3 -8.9 -38.5 -23.6 191 190 A V H > S+ 0 0 46 -2,-0.8 4,-2.6 1,-0.2 -1,-0.2 0.849 87.7 52.3 -55.2 -35.4 -11.1 -35.7 -22.2 192 191 A E H > S+ 0 0 123 2,-0.2 4,-2.9 1,-0.2 -1,-0.2 0.937 115.4 35.3 -73.1 -51.3 -13.2 -38.1 -20.1 193 192 A T H > S+ 0 0 54 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.835 118.4 54.1 -76.5 -26.3 -10.5 -40.0 -18.2 194 193 A A H X S+ 0 0 0 -4,-2.5 4,-2.2 2,-0.2 -2,-0.2 0.924 112.1 44.7 -60.6 -47.5 -8.5 -36.8 -18.1 195 194 A T H X S+ 0 0 29 -4,-2.6 4,-2.4 -5,-0.3 -2,-0.2 0.922 110.3 53.7 -66.6 -44.3 -11.5 -35.1 -16.6 196 195 A E H < S+ 0 0 113 -4,-2.9 4,-0.4 1,-0.2 -1,-0.2 0.896 110.3 48.0 -55.4 -41.9 -12.1 -38.0 -14.2 197 196 A L H >< S+ 0 0 71 -4,-2.2 3,-0.8 1,-0.2 -1,-0.2 0.884 111.7 50.0 -63.0 -43.1 -8.5 -37.7 -13.0 198 197 A L H >< S+ 0 0 7 -4,-2.2 3,-1.1 1,-0.2 -2,-0.2 0.847 105.9 56.3 -63.5 -36.0 -8.9 -33.9 -12.5 199 198 A L T 3< S+ 0 0 110 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.562 94.4 68.9 -75.4 -7.3 -12.2 -34.4 -10.5 200 199 A S T < 0 0 92 -3,-0.8 -1,-0.2 -4,-0.4 -2,-0.2 0.484 360.0 360.0 -89.2 -5.1 -10.3 -36.7 -8.0 201 200 A N < 0 0 155 -3,-1.1 -1,-0.2 -4,-0.2 -2,-0.2 0.823 360.0 360.0 -80.3 360.0 -8.3 -33.7 -6.6