==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=18-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 12-SEP-03 1UNQ . COMPND 2 MOLECULE: RAC-ALPHA SERINE/THREONINE KINASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR C.C.MILBURN,M.DEAK,S.M.KELLY,N.C.PRICE,D.R.ALESSI, . 117 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 7524.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 80 68.4 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 . 39 33.3 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 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 . 9 7.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 7 6.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 24 20.5 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 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 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 . 0 1 0 2 1 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 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 0 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 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 S > 0 0 122 0, 0.0 4,-0.7 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -54.0 23.8 14.8 -12.1 2 1 A M T >4 + 0 0 138 1,-0.2 3,-0.6 2,-0.2 4,-0.3 0.890 360.0 55.7 -81.3 -32.5 21.8 11.8 -10.9 3 2 A S G >4 S+ 0 0 84 1,-0.2 3,-1.2 2,-0.2 29,-0.3 0.877 102.1 59.4 -65.4 -32.0 24.5 10.2 -8.8 4 3 A D G 34 S+ 0 0 73 1,-0.3 29,-1.1 28,-0.1 -1,-0.2 0.794 107.0 46.2 -67.2 -27.3 24.8 13.5 -6.8 5 4 A V G << S+ 0 0 66 -4,-0.7 -1,-0.3 -3,-0.6 -2,-0.2 0.295 82.1 129.3-103.5 14.0 21.2 13.3 -5.7 6 5 A A < - 0 0 40 -3,-1.2 26,-1.8 -4,-0.3 2,-0.7 -0.378 65.1-118.6 -61.2 141.9 21.2 9.7 -4.7 7 6 A I E -A 31 0A 56 24,-0.2 24,-0.3 1,-0.2 3,-0.1 -0.753 30.4-177.1 -83.9 116.3 19.8 9.0 -1.3 8 7 A V E - 0 0 57 22,-2.6 2,-0.3 -2,-0.7 -1,-0.2 0.868 68.6 -7.4 -80.0 -42.0 22.7 7.4 0.7 9 8 A K E +A 30 0A 41 21,-1.2 21,-2.8 2,-0.0 -1,-0.3 -0.968 62.9 177.5-157.9 141.2 20.7 6.8 3.9 10 9 A E E +A 29 0A 69 -2,-0.3 2,-0.3 19,-0.2 19,-0.2 -0.989 22.0 114.7-146.2 150.4 17.3 7.7 5.2 11 10 A G E -A 28 0A 15 17,-2.5 17,-3.0 -2,-0.3 2,-0.2 -0.931 56.1 -68.0 166.9 168.8 15.4 6.9 8.4 12 11 A W E +A 27 0A 118 -2,-0.3 2,-0.3 15,-0.3 15,-0.2 -0.532 49.0 154.1 -77.7 150.3 13.8 8.1 11.6 13 12 A L E -A 26 0A 8 13,-2.4 13,-2.8 -2,-0.2 2,-0.4 -0.943 42.7-101.9-154.9 177.5 15.8 9.5 14.5 14 13 A H E -AB 25 90A 58 76,-2.4 76,-2.4 -2,-0.3 2,-0.4 -0.903 29.5-161.5-107.3 139.7 15.3 11.8 17.4 15 14 A K E -AB 24 89A 25 9,-2.6 9,-2.5 -2,-0.4 2,-0.3 -0.981 17.4-128.7-122.8 126.6 16.7 15.4 17.2 16 15 A R E -A 23 0A 69 72,-2.6 72,-0.4 -2,-0.4 7,-0.2 -0.592 24.1-114.7 -83.3 133.4 17.3 17.4 20.4 17 16 A G - 0 0 8 5,-2.6 -1,-0.1 -2,-0.3 6,-0.0 -0.275 14.4-135.1 -61.5 152.7 15.9 20.9 20.6 18 17 A E S S+ 0 0 78 2,-0.1 3,-0.2 3,-0.1 -1,-0.1 0.804 97.9 6.7 -78.0 -30.0 18.3 23.8 20.8 19 18 A Y S S+ 0 0 213 1,-0.3 2,-0.9 3,-0.1 -2,-0.1 0.708 133.7 47.3-121.4 -45.8 16.5 25.6 23.6 20 19 A I S S- 0 0 118 2,-0.1 2,-2.2 1,-0.1 -1,-0.3 -0.892 88.6-151.1 -98.5 96.5 13.7 23.4 24.7 21 20 A K + 0 0 125 -2,-0.9 2,-0.2 -3,-0.2 -3,-0.1 -0.154 43.4 134.5 -86.6 52.0 15.9 20.4 24.9 22 21 A T - 0 0 72 -2,-2.2 -5,-2.6 -7,-0.0 2,-0.6 -0.562 61.6-108.3 -88.6 157.2 13.5 17.7 24.2 23 22 A W E -A 16 0A 60 -7,-0.2 -7,-0.2 -2,-0.2 66,-0.1 -0.792 37.8-166.9 -88.5 119.7 14.0 14.8 21.8 24 23 A R E -A 15 0A 83 -9,-2.5 -9,-2.6 -2,-0.6 2,-0.2 -0.925 21.5-119.5-115.7 129.8 11.8 15.3 18.7 25 24 A P E +A 14 0A 69 0, 0.0 2,-0.3 0, 0.0 -11,-0.2 -0.487 40.4 170.7 -71.0 132.8 11.1 12.6 16.1 26 25 A R E -A 13 0A 24 -13,-2.8 -13,-2.4 -2,-0.2 2,-0.6 -0.998 32.7-134.0-141.5 144.9 12.3 13.5 12.7 27 26 A Y E -AC 12 39A 6 12,-2.6 12,-2.0 -2,-0.3 2,-0.3 -0.887 32.4-165.1 -98.2 119.0 12.7 11.6 9.4 28 27 A F E -AC 11 38A 0 -17,-3.0 -17,-2.5 -2,-0.6 2,-0.4 -0.821 13.7-168.6-114.1 152.3 16.1 12.4 7.8 29 28 A L E -AC 10 37A 5 8,-2.4 8,-2.7 -2,-0.3 2,-0.5 -1.000 5.6-160.0-137.7 128.7 17.5 11.8 4.4 30 29 A L E -AC 9 36A 0 -21,-2.8 -22,-2.6 -2,-0.4 -21,-1.2 -0.961 11.1-166.0-113.0 128.9 21.2 12.2 3.4 31 30 A K E > -A 7 0A 41 4,-2.4 3,-2.0 -2,-0.5 -24,-0.2 -0.750 34.0-111.9-112.6 160.0 22.2 12.7 -0.3 32 31 A N T 3 S+ 0 0 56 -26,-1.8 -27,-0.2 1,-0.3 -28,-0.1 0.718 112.3 68.4 -62.4 -17.1 25.5 12.4 -2.1 33 32 A D T 3 S- 0 0 57 -29,-1.1 -1,-0.3 -27,-0.2 26,-0.1 0.419 120.4-103.1 -86.4 7.5 25.5 16.1 -2.6 34 33 A G S < S+ 0 0 3 -3,-2.0 24,-2.7 1,-0.3 2,-0.3 0.314 75.6 138.6 92.9 -5.3 26.0 16.7 1.1 35 34 A T E - D 0 57A 31 22,-0.2 -4,-2.4 23,-0.1 2,-0.5 -0.532 30.9-171.6 -78.5 138.6 22.4 17.7 1.9 36 35 A F E -CD 30 56A 0 20,-2.5 20,-2.4 -2,-0.3 2,-0.4 -0.968 15.9-177.3-131.7 104.8 21.1 16.3 5.2 37 36 A I E -CD 29 55A 5 -8,-2.7 -8,-2.4 -2,-0.5 2,-0.3 -0.885 11.3-159.9-121.3 140.7 17.4 17.1 5.4 38 37 A G E -CD 28 54A 0 16,-2.0 16,-2.2 -2,-0.4 15,-2.0 -0.900 2.9-166.8-123.4 152.7 14.8 16.4 8.0 39 38 A Y E -C 27 0A 12 -12,-2.0 -12,-2.6 -2,-0.3 3,-0.1 -0.965 26.6-137.5-135.6 147.7 11.0 16.3 8.1 40 39 A K S S+ 0 0 126 -2,-0.3 2,-0.4 -14,-0.2 -1,-0.1 0.889 100.2 27.2 -67.8 -43.2 8.4 16.2 10.8 41 40 A E S S- 0 0 130 -14,-0.1 -1,-0.2 -15,-0.1 -14,-0.1 -0.948 99.7-100.2-117.7 142.8 6.5 13.5 8.9 42 41 A R - 0 0 114 -2,-0.4 7,-0.1 1,-0.1 6,-0.0 -0.437 51.0-108.9 -60.7 123.4 8.0 11.0 6.5 43 42 A P - 0 0 19 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.309 32.8-174.6 -63.4 143.2 7.3 12.4 3.0 44 43 A Q + 0 0 140 1,-0.1 2,-0.3 -3,-0.1 -2,-0.1 0.365 67.0 22.8-119.1 -0.5 4.7 10.5 1.0 45 44 A D S > S- 0 0 84 1,-0.0 4,-1.8 0, 0.0 5,-0.1 -0.906 86.6 -96.7-157.1 174.7 5.0 12.4 -2.3 46 45 A V H > S+ 0 0 89 -2,-0.3 4,-2.0 1,-0.2 5,-0.1 0.871 119.3 56.6 -70.9 -37.2 7.4 14.5 -4.2 47 46 A D H 4 S+ 0 0 122 1,-0.2 4,-0.3 2,-0.2 -1,-0.2 0.925 109.0 47.6 -59.1 -41.7 5.9 17.8 -3.1 48 47 A Q H >4 S+ 0 0 88 1,-0.2 3,-1.4 2,-0.2 -1,-0.2 0.888 108.4 54.6 -66.0 -39.1 6.5 16.8 0.5 49 48 A R H 3< S+ 0 0 112 -4,-1.8 -1,-0.2 1,-0.3 -2,-0.2 0.859 104.2 56.4 -60.3 -33.8 10.0 15.7 -0.2 50 49 A E T 3< S+ 0 0 138 -4,-2.0 -1,-0.3 1,-0.2 -2,-0.2 0.556 101.5 60.0 -78.9 -2.0 10.7 19.2 -1.6 51 50 A A S < S+ 0 0 72 -3,-1.4 -1,-0.2 -4,-0.3 -2,-0.1 -0.521 70.9 176.4-127.7 64.1 9.7 20.9 1.6 52 51 A P - 0 0 43 0, 0.0 -13,-0.2 0, 0.0 3,-0.1 -0.284 31.2-143.4 -68.1 156.4 11.9 19.8 4.5 53 52 A L S S+ 0 0 103 -15,-2.0 2,-0.4 1,-0.2 -14,-0.2 0.850 89.5 33.2 -74.2 -46.3 11.7 21.1 8.0 54 53 A N E -D 38 0A 22 -16,-2.2 -16,-2.0 2,-0.0 2,-0.3 -0.910 65.0-178.3-117.8 144.9 15.5 20.9 8.6 55 54 A N E +D 37 0A 78 -2,-0.4 2,-0.3 -18,-0.2 -18,-0.2 -0.905 9.7 163.2-151.8 115.6 18.3 21.4 6.0 56 55 A F E -D 36 0A 7 -20,-2.4 -20,-2.5 -2,-0.3 2,-0.5 -0.844 29.9-136.0-124.9 161.2 22.0 21.0 6.7 57 56 A S E -D 35 0A 57 22,-0.4 22,-0.4 -2,-0.3 -22,-0.2 -0.993 9.1-161.7-118.8 126.3 25.1 20.6 4.5 58 57 A V > + 0 0 0 -24,-2.7 3,-2.1 -2,-0.5 -23,-0.1 0.365 41.0 135.5 -93.4 6.5 27.6 18.0 5.8 59 58 A A T 3 S- 0 0 48 1,-0.3 20,-0.5 -25,-0.2 -2,-0.1 -0.296 84.9 -3.8 -54.1 131.1 30.7 19.2 3.8 60 59 A Q T 3 S+ 0 0 131 48,-0.2 -1,-0.3 1,-0.2 -2,-0.1 0.687 99.4 163.0 58.8 24.0 33.7 19.3 6.1 61 60 A C < - 0 0 10 -3,-2.1 2,-0.4 43,-0.1 17,-0.2 -0.185 36.1-133.9 -72.4 161.4 31.6 18.3 9.1 62 61 A Q E -E 77 0A 100 15,-2.4 15,-2.6 2,-0.0 2,-0.5 -0.923 15.5-153.4-107.8 143.5 32.8 16.9 12.3 63 62 A L E -E 76 0A 30 -2,-0.4 2,-0.4 13,-0.2 13,-0.2 -0.977 11.6-173.5-125.0 118.5 31.0 13.9 13.8 64 63 A M E -E 75 0A 50 11,-2.8 11,-2.6 -2,-0.5 2,-0.5 -0.908 12.9-152.1-119.0 131.1 31.0 13.3 17.6 65 64 A K E +E 74 0A 99 -2,-0.4 2,-0.3 9,-0.2 9,-0.2 -0.903 25.1 174.2-100.4 129.5 29.6 10.3 19.4 66 65 A T E -E 73 0A 40 7,-2.3 7,-1.7 -2,-0.5 6,-0.2 -0.893 34.4-152.2-134.9 164.9 28.4 11.0 22.9 67 66 A E + 0 0 90 -2,-0.3 -1,-0.0 4,-0.2 7,-0.0 0.276 58.7 116.7-122.1 6.2 26.7 9.1 25.8 68 67 A R S S+ 0 0 210 1,-0.2 -1,-0.1 2,-0.1 4,-0.0 -0.994 79.8 6.6-130.1 137.4 24.9 12.1 27.5 69 68 A P S S+ 0 0 61 0, 0.0 -1,-0.2 0, 0.0 -2,-0.0 -0.968 145.9 1.0 -77.8 -15.6 22.2 12.9 28.0 70 69 A R S > S- 0 0 94 -4,-0.0 3,-0.7 1,-0.0 -4,-0.1 -0.971 80.7-101.8-125.8 150.8 21.5 9.5 26.5 71 70 A P T 3 S+ 0 0 73 0, 0.0 -4,-0.2 0, 0.0 20,-0.1 -0.238 104.0 35.0 -54.8 154.0 23.7 6.7 25.2 72 71 A N T 3 S+ 0 0 22 1,-0.3 19,-1.5 -6,-0.2 2,-0.2 0.735 82.6 145.6 70.1 28.2 23.9 6.4 21.4 73 72 A T E < -EF 66 90A 0 -7,-1.7 -7,-2.3 -3,-0.7 2,-0.3 -0.614 27.7-167.3 -89.2 150.6 23.8 10.2 20.8 74 73 A F E -EF 65 89A 0 15,-2.6 15,-3.0 -2,-0.2 2,-0.4 -0.997 7.2-153.6-137.9 148.2 25.7 11.8 18.0 75 74 A I E -EF 64 88A 27 -11,-2.6 -11,-2.8 -2,-0.3 2,-0.5 -0.963 3.5-155.5-119.4 131.9 26.5 15.5 17.2 76 75 A I E -EF 63 87A 1 11,-2.6 11,-2.1 -2,-0.4 2,-0.5 -0.943 4.4-163.8-101.9 129.9 27.2 17.0 13.8 77 76 A R E +EF 62 86A 88 -15,-2.6 -15,-2.4 -2,-0.5 2,-0.3 -0.983 30.7 149.8-109.8 118.1 29.2 20.2 13.7 78 77 A C E - F 0 85A 6 7,-2.2 7,-3.0 -2,-0.5 2,-0.6 -0.887 48.6 -95.9-145.3 170.6 28.8 21.8 10.3 79 78 A L E - F 0 84A 91 -20,-0.5 2,-0.7 -22,-0.4 -22,-0.4 -0.829 24.8-166.0 -97.9 125.6 28.7 25.1 8.5 80 79 A Q E > S- F 0 83A 70 3,-3.2 3,-2.4 -2,-0.6 2,-1.2 -0.913 70.4 -57.7-110.6 98.9 25.3 26.7 7.9 81 80 A W T 3 S- 0 0 224 -2,-0.7 -2,-0.1 1,-0.3 3,-0.0 -0.534 123.4 -21.1 62.7 -93.4 26.0 29.4 5.3 82 81 A T T 3 S+ 0 0 102 -2,-1.2 2,-0.5 2,-0.0 -1,-0.3 0.255 122.9 87.6-123.2 8.0 28.6 31.3 7.4 83 82 A T E < S- F 0 80A 83 -3,-2.4 -3,-3.2 0, 0.0 2,-0.4 -0.931 70.9-133.4-113.7 129.1 27.8 30.1 10.9 84 83 A V E - F 0 79A 97 -2,-0.5 2,-0.3 -5,-0.2 -5,-0.2 -0.654 34.6-179.4 -76.9 132.4 29.2 27.0 12.5 85 84 A I E - F 0 78A 24 -7,-3.0 -7,-2.2 -2,-0.4 2,-0.4 -0.879 21.3-147.5-127.7 161.0 26.3 25.0 14.2 86 85 A E E - F 0 77A 76 -2,-0.3 2,-0.3 -9,-0.2 -9,-0.2 -0.990 12.5-171.9-124.7 139.4 26.0 21.8 16.2 87 86 A R E - F 0 76A 57 -11,-2.1 -11,-2.6 -2,-0.4 2,-0.4 -0.991 13.0-143.1-133.5 140.9 22.9 19.5 16.0 88 87 A T E + F 0 75A 27 -72,-0.4 -72,-2.6 -2,-0.3 2,-0.3 -0.896 19.6 178.1-115.0 133.0 22.3 16.6 18.3 89 88 A F E -BF 15 74A 0 -15,-3.0 -15,-2.6 -2,-0.4 2,-0.4 -0.871 10.7-157.7-131.5 157.1 20.7 13.3 17.3 90 89 A H E +BF 14 73A 2 -76,-2.4 -76,-2.4 -2,-0.3 2,-0.3 -1.000 9.2 177.1-141.4 138.6 19.8 9.9 18.9 91 90 A V - 0 0 7 -19,-1.5 -78,-0.1 -2,-0.4 6,-0.1 -0.836 39.5-109.0-130.8 171.6 19.2 6.4 17.6 92 91 A E S S+ 0 0 106 -2,-0.3 -19,-0.1 2,-0.0 3,-0.0 0.595 91.1 33.1 -89.1 -10.7 18.5 3.3 19.7 93 92 A T S > S- 0 0 45 -21,-0.2 4,-1.9 1,-0.1 5,-0.1 -0.976 71.8-123.5-140.7 154.9 21.7 1.3 19.2 94 93 A P H > S+ 0 0 57 0, 0.0 4,-2.4 0, 0.0 5,-0.2 0.831 112.7 58.6 -65.7 -30.8 25.4 2.0 18.8 95 94 A E H > S+ 0 0 131 2,-0.2 4,-2.1 1,-0.2 5,-0.1 0.917 106.6 46.7 -65.0 -40.8 25.4 -0.0 15.6 96 95 A E H > S+ 0 0 80 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.886 110.0 54.0 -68.1 -39.5 22.8 2.3 14.1 97 96 A R H X S+ 0 0 18 -4,-1.9 4,-2.8 1,-0.2 5,-0.3 0.936 108.4 49.6 -61.2 -44.2 24.7 5.3 15.3 98 97 A E H X S+ 0 0 86 -4,-2.4 4,-2.6 1,-0.2 5,-0.3 0.888 107.6 54.6 -61.9 -40.7 27.8 4.0 13.5 99 98 A E H X S+ 0 0 122 -4,-2.1 4,-2.2 1,-0.2 -1,-0.2 0.936 112.7 42.4 -57.9 -45.2 25.8 3.5 10.3 100 99 A W H X S+ 0 0 7 -4,-2.1 4,-2.5 2,-0.2 -2,-0.2 0.943 116.1 46.4 -68.7 -47.1 24.6 7.1 10.3 101 100 A T H X S+ 0 0 11 -4,-2.8 4,-2.6 1,-0.2 5,-0.2 0.917 114.5 48.0 -66.5 -38.4 28.0 8.7 11.3 102 101 A T H X S+ 0 0 70 -4,-2.6 4,-2.5 -5,-0.3 -1,-0.2 0.932 111.0 51.1 -67.1 -40.0 29.9 6.5 8.7 103 102 A A H X S+ 0 0 14 -4,-2.2 4,-2.2 -5,-0.3 -2,-0.2 0.934 112.1 46.7 -59.5 -47.0 27.3 7.4 6.0 104 103 A I H X S+ 0 0 0 -4,-2.5 4,-2.7 1,-0.2 -1,-0.2 0.939 113.1 48.9 -61.7 -44.9 27.7 11.1 6.7 105 104 A Q H X S+ 0 0 71 -4,-2.6 4,-2.7 1,-0.2 -1,-0.2 0.878 108.3 54.2 -62.3 -40.0 31.5 10.9 6.8 106 105 A T H X S+ 0 0 84 -4,-2.5 4,-2.1 2,-0.2 -1,-0.2 0.928 110.0 47.2 -60.9 -43.4 31.5 9.0 3.5 107 106 A V H X S+ 0 0 4 -4,-2.2 4,-2.1 1,-0.2 -2,-0.2 0.943 112.5 49.0 -63.0 -45.8 29.4 11.7 1.8 108 107 A A H X S+ 0 0 5 -4,-2.7 4,-2.1 1,-0.2 -48,-0.2 0.903 110.5 51.7 -59.6 -42.0 31.7 14.4 3.3 109 108 A D H X S+ 0 0 93 -4,-2.7 4,-2.3 1,-0.2 -1,-0.2 0.888 108.2 51.6 -61.7 -39.5 34.8 12.5 2.0 110 109 A G H X S+ 0 0 43 -4,-2.1 4,-2.3 1,-0.2 -1,-0.2 0.886 109.0 50.5 -66.9 -39.7 33.3 12.3 -1.5 111 110 A L H X S+ 0 0 41 -4,-2.1 4,-1.9 2,-0.2 -1,-0.2 0.894 109.3 50.8 -64.1 -38.6 32.7 16.0 -1.5 112 111 A K H X S+ 0 0 89 -4,-2.1 4,-2.5 2,-0.2 -2,-0.2 0.910 109.2 51.0 -68.3 -39.3 36.3 16.7 -0.5 113 112 A K H X S+ 0 0 110 -4,-2.3 4,-2.1 1,-0.2 -2,-0.2 0.924 107.5 53.4 -61.6 -40.7 37.6 14.4 -3.3 114 113 A Q H < S+ 0 0 124 -4,-2.3 -1,-0.2 2,-0.2 -2,-0.2 0.908 109.3 49.5 -56.2 -41.3 35.4 16.3 -5.8 115 114 A E H < S+ 0 0 124 -4,-1.9 -2,-0.2 1,-0.2 -1,-0.2 0.914 110.2 50.1 -64.9 -41.7 37.0 19.5 -4.5 116 115 A E H < 0 0 132 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.2 0.896 360.0 360.0 -66.1 -32.0 40.5 18.1 -4.9 117 116 A E < 0 0 168 -4,-2.1 0, 0.0 -5,-0.2 0, 0.0 -0.363 360.0 360.0 -84.9 360.0 39.7 16.9 -8.4