==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=3-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER SIGNALING PROTEIN/INHIBITOR 20-DEC-00 1HH4 . COMPND 2 MOLECULE: RAS-RELATED C3 BOTULINUM TOXIN SUBSTRATE 1; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR S.GRIZOT,J.FAURE,F.FIESCHI,P.V.VIGNAIS,M.-C.DAGHER, . 744 5 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 39622.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 468 62.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 62 8.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 121 16.3 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 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 . 89 12.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 49 6.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 114 15.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 10 1.3 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 3 2 0 0 2 4 0 4 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 0 0 4 3 2 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 . 2 2 1 4 0 1 2 4 2 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 4 1 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 1 A P 0 0 98 0, 0.0 2,-0.4 0, 0.0 50,-0.2 0.000 360.0 360.0 360.0-148.9 64.5 23.7 19.6 2 2 A Q B -a 51 0A 111 48,-0.8 50,-3.9 2,-0.0 2,-0.7 -0.782 360.0-128.2 -94.4 141.7 64.4 25.1 23.1 3 3 A A + 0 0 71 -2,-0.4 2,-0.5 48,-0.2 50,-0.2 -0.814 26.4 177.8-102.0 116.9 61.8 23.6 25.5 4 4 A I - 0 0 1 -2,-0.7 50,-2.1 48,-0.5 2,-0.5 -0.954 19.6-146.3-113.6 116.5 59.5 25.9 27.4 5 5 A K E -b 54 0A 40 -2,-0.5 71,-2.3 69,-0.3 72,-1.7 -0.747 14.9-169.5 -90.4 127.7 56.9 24.1 29.5 6 6 A C E -bc 55 77A 0 48,-3.3 50,-2.5 -2,-0.5 2,-0.4 -0.954 5.1-164.6-121.3 125.9 53.5 25.7 29.9 7 7 A V E -bc 56 78A 0 70,-1.8 72,-2.8 -2,-0.5 2,-0.6 -0.868 8.0-151.1-109.7 141.6 50.7 24.7 32.4 8 8 A V E +bc 57 79A 0 48,-2.3 50,-1.0 -2,-0.4 2,-0.2 -0.899 20.4 172.4-117.9 110.0 47.1 25.8 32.1 9 9 A V E + c 0 80A 0 70,-1.7 72,-3.3 -2,-0.6 2,-0.2 -0.721 15.2 110.7-114.3 161.7 45.0 26.1 35.2 10 10 A G E - c 0 81A 0 -2,-0.2 50,-0.2 70,-0.2 72,-0.2 -0.775 62.8 -49.9 153.5 163.3 41.6 27.5 36.0 11 11 A D > - 0 0 29 70,-0.6 3,-1.2 -2,-0.2 5,-0.3 -0.037 68.5 -88.6 -55.1 158.3 38.0 26.6 37.0 12 12 A G T 3 S+ 0 0 47 1,-0.2 -1,-0.1 48,-0.1 77,-0.1 -0.411 111.3 22.9 -68.8 149.3 36.1 23.8 35.2 13 13 A A T 3 S+ 0 0 90 -3,-0.1 -1,-0.2 -2,-0.1 -2,-0.1 0.583 86.9 114.0 70.9 13.0 34.2 24.9 32.1 14 14 A V S < S- 0 0 2 -3,-1.2 70,-0.1 -4,-0.1 68,-0.1 0.826 91.7-101.3 -81.0 -31.1 36.3 28.1 31.6 15 15 A G S > S+ 0 0 23 -4,-0.3 4,-1.3 66,-0.1 5,-0.1 0.607 74.5 137.4 122.4 18.8 37.7 26.8 28.4 16 16 A K H > S+ 0 0 13 -5,-0.3 4,-1.4 2,-0.2 5,-0.1 0.814 80.9 43.0 -62.9 -36.3 41.2 25.5 29.1 17 17 A T H > S+ 0 0 16 2,-0.2 4,-2.2 1,-0.2 5,-0.2 0.943 115.4 47.0 -75.2 -51.5 40.8 22.4 26.9 18 18 A C H > S+ 0 0 17 1,-0.2 4,-1.8 2,-0.2 -2,-0.2 0.708 109.9 57.9 -62.1 -21.4 39.1 24.2 24.0 19 19 A L H X S+ 0 0 2 -4,-1.3 4,-0.7 2,-0.2 -1,-0.2 0.929 109.6 40.9 -74.2 -46.0 41.8 26.8 24.3 20 20 A L H X S+ 0 0 0 -4,-1.4 4,-1.9 2,-0.2 -2,-0.2 0.804 119.2 46.2 -72.3 -30.2 44.6 24.2 23.7 21 21 A I H X S+ 0 0 19 -4,-2.2 4,-2.2 2,-0.2 6,-0.6 0.887 109.8 51.2 -79.5 -42.4 42.7 22.4 21.0 22 22 A S H < S+ 0 0 1 -4,-1.8 4,-0.2 -5,-0.2 -1,-0.2 0.721 115.6 47.6 -66.3 -18.7 41.6 25.6 19.1 23 23 A Y H < S+ 0 0 45 -4,-0.7 -2,-0.2 3,-0.2 -1,-0.2 0.863 114.5 39.7 -89.8 -43.5 45.3 26.5 19.2 24 24 A T H < S+ 0 0 42 -4,-1.9 -2,-0.2 1,-0.2 -3,-0.2 0.808 127.3 33.0 -79.1 -29.3 47.0 23.3 18.1 25 25 A T S < S- 0 0 82 -4,-2.2 -3,-0.2 2,-0.2 -1,-0.2 0.584 97.8-129.4-100.6 -13.2 44.5 22.4 15.4 26 26 A N S S+ 0 0 124 -5,-0.4 2,-0.3 -4,-0.2 -4,-0.2 0.802 79.4 95.1 67.0 27.7 43.6 25.9 14.3 27 27 A A S S- 0 0 51 -6,-0.6 -2,-0.2 2,-0.0 -1,-0.2 -0.958 77.1-119.4-153.1 133.2 39.9 24.9 14.7 28 28 A F - 0 0 82 -2,-0.3 2,-0.2 132,-0.3 -9,-0.1 -0.558 26.4-140.8 -75.8 121.3 37.3 25.1 17.5 29 29 A P - 0 0 24 0, 0.0 -7,-0.1 0, 0.0 -8,-0.0 -0.580 20.1-172.7 -77.9 140.5 36.0 21.7 18.6 30 30 A G + 0 0 54 -2,-0.2 -12,-0.0 2,-0.1 3,-0.0 0.890 61.9 3.4 -99.4 -76.3 32.3 21.7 19.3 31 31 A E S S+ 0 0 192 1,-0.1 2,-0.6 0, 0.0 0, 0.0 0.978 116.2 60.7 -78.3 -67.7 30.5 18.7 20.8 32 32 A Y + 0 0 86 2,-0.0 -1,-0.1 0, 0.0 -2,-0.1 -0.552 63.2 154.5 -70.4 113.9 33.2 16.2 21.6 33 33 A I - 0 0 72 -2,-0.6 2,-0.1 -4,-0.0 -15,-0.1 -0.964 36.5-131.9-142.5 119.7 35.6 17.8 24.1 34 34 A P - 0 0 57 0, 0.0 3,-0.2 0, 0.0 -17,-0.1 -0.376 18.1-122.9 -71.8 154.6 37.7 15.7 26.5 35 35 A T S S+ 0 0 52 1,-0.3 2,-0.5 -2,-0.1 -18,-0.1 0.979 104.5 24.8 -57.7 -54.2 37.9 16.6 30.2 36 36 A V S S- 0 0 4 23,-0.1 2,-0.3 -19,-0.1 -1,-0.3 -0.949 83.0-134.2-118.2 124.1 41.7 16.9 29.8 37 37 A F - 0 0 34 -2,-0.5 20,-0.6 -3,-0.2 3,-0.1 -0.565 39.0-104.5 -72.9 131.6 43.4 17.6 26.5 38 38 A D - 0 0 69 -2,-0.3 -1,-0.1 1,-0.1 17,-0.1 -0.282 44.6 -89.3 -58.5 142.0 46.3 15.2 26.1 39 39 A N + 0 0 71 383,-0.1 2,-0.3 18,-0.1 17,-0.2 -0.229 56.0 175.5 -53.7 133.5 49.8 16.7 26.7 40 40 A Y E -D 55 0A 118 15,-1.6 15,-2.5 -3,-0.1 2,-0.5 -0.976 26.0-152.7-151.2 131.4 51.2 18.1 23.5 41 41 A S E -D 54 0A 52 -2,-0.3 2,-0.4 13,-0.3 13,-0.3 -0.877 20.7-162.3-101.4 131.1 54.4 20.1 22.6 42 42 A A E -D 53 0A 14 11,-2.4 11,-1.6 -2,-0.5 2,-0.6 -0.913 18.9-124.5-117.4 143.9 54.0 22.3 19.5 43 43 A N E +D 52 0A 109 -2,-0.4 2,-0.3 9,-0.2 9,-0.2 -0.763 39.5 169.1 -86.3 119.8 56.7 23.9 17.4 44 44 A V E -D 51 0A 17 7,-1.8 7,-2.3 -2,-0.6 2,-0.5 -0.899 30.2-143.1-127.8 157.4 56.3 27.6 17.2 45 45 A M E +D 50 0A 152 -2,-0.3 2,-0.5 5,-0.2 3,-0.3 -0.818 25.7 175.4-125.0 90.0 58.6 30.3 15.9 46 46 A V - 0 0 6 3,-1.2 3,-0.3 -2,-0.5 -2,-0.1 -0.859 68.2 -8.3-102.1 125.4 58.4 33.4 18.1 47 47 A D S S- 0 0 112 -2,-0.5 -1,-0.2 1,-0.2 123,-0.0 0.765 132.1 -49.5 65.1 30.7 60.7 36.4 17.4 48 48 A G S S+ 0 0 74 -3,-0.3 -1,-0.2 1,-0.2 -2,-0.1 0.763 119.4 90.9 83.2 26.0 62.8 34.6 14.8 49 49 A K S S- 0 0 147 -3,-0.3 -3,-1.2 -47,-0.0 -1,-0.2 -0.982 71.1-119.2-152.8 140.6 63.5 31.4 16.8 50 50 A P E - D 0 45A 70 0, 0.0 -48,-0.8 0, 0.0 2,-0.3 -0.462 29.2-168.7 -79.0 152.1 61.8 28.0 17.1 51 51 A V E -aD 2 44A 1 -7,-2.3 -7,-1.8 -50,-0.2 2,-1.1 -1.000 25.0-136.0-145.3 140.9 60.5 26.7 20.4 52 52 A N E - D 0 43A 50 -50,-3.9 2,-0.5 -2,-0.3 -48,-0.5 -0.621 29.3-164.8 -99.2 78.3 59.2 23.4 21.7 53 53 A L E - D 0 42A 0 -11,-1.6 -11,-2.4 -2,-1.1 2,-0.9 -0.475 6.0-155.7 -67.5 114.0 56.2 24.6 23.7 54 54 A G E -bD 5 41A 6 -50,-2.1 -48,-3.3 -2,-0.5 2,-0.5 -0.813 12.5-160.0 -95.8 104.5 55.0 21.8 26.1 55 55 A L E -bD 6 40A 0 -15,-2.5 -15,-1.6 -2,-0.9 2,-0.4 -0.738 7.4-170.3 -90.3 124.5 51.3 22.5 26.7 56 56 A W E -b 7 0A 40 -50,-2.5 -48,-2.3 -2,-0.5 2,-0.4 -0.956 6.6-166.9-120.2 128.1 49.7 21.0 29.8 57 57 A D E -b 8 0A 2 -20,-0.6 2,-0.2 -2,-0.4 -48,-0.1 -0.900 16.0-165.7-108.8 140.7 45.9 21.0 30.5 58 58 A T - 0 0 1 -50,-1.0 2,-0.6 -2,-0.4 -21,-0.2 -0.451 26.8-102.9-115.2-172.7 44.9 20.0 34.0 59 59 A A - 0 0 1 -2,-0.2 5,-0.2 5,-0.1 9,-0.2 -0.953 24.3-164.4-118.2 107.6 41.7 19.0 35.9 60 60 A G + 0 0 9 -2,-0.6 -48,-0.1 -50,-0.2 -1,-0.1 0.620 48.1 123.8 -68.5 -13.5 40.4 21.9 37.9 61 61 A Q > - 0 0 64 1,-0.2 3,-1.8 -50,-0.1 -2,-0.1 -0.192 67.8-133.7 -50.3 137.3 38.1 19.8 40.0 62 62 A E G > S+ 0 0 146 1,-0.3 3,-1.2 2,-0.2 -1,-0.2 0.651 102.8 77.1 -66.9 -10.6 38.8 20.1 43.7 63 63 A D G 3 S+ 0 0 95 1,-0.3 -1,-0.3 2,-0.1 3,-0.2 0.744 97.8 40.6 -71.7 -23.6 38.7 16.3 43.6 64 64 A Y G X> S+ 0 0 1 -3,-1.8 4,-2.6 -5,-0.2 3,-0.7 0.131 75.1 129.4-110.0 21.0 42.1 16.2 42.1 65 65 A D T <4 S+ 0 0 29 -3,-1.2 -1,-0.1 1,-0.3 -2,-0.1 0.721 81.0 38.1 -45.4 -29.3 43.6 19.0 44.3 66 66 A R T 34 S+ 0 0 8 -3,-0.2 -1,-0.3 -4,-0.1 4,-0.2 0.707 115.7 50.3 -97.5 -24.9 46.5 16.7 45.2 67 67 A L T X4 S+ 0 0 0 -3,-0.7 3,-1.6 1,-0.1 -2,-0.2 0.908 100.7 62.9 -79.4 -41.8 47.1 15.0 41.9 68 68 A R G >< S+ 0 0 0 -4,-2.6 3,-2.1 1,-0.3 4,-0.2 0.867 90.5 64.4 -50.9 -50.0 47.2 18.2 39.8 69 69 A P G > S+ 0 0 0 0, 0.0 3,-1.8 0, 0.0 445,-0.5 0.634 79.1 84.2 -53.7 -15.1 50.3 19.8 41.4 70 70 A L G < S+ 0 0 21 -3,-1.6 -2,-0.1 1,-0.3 446,-0.1 0.630 87.4 58.6 -64.9 -9.9 52.5 16.9 40.1 71 71 A S G < S+ 0 0 2 -3,-2.1 -1,-0.3 1,-0.1 -3,-0.1 0.615 87.0 75.1 -94.8 -13.1 52.6 18.9 36.9 72 72 A Y X + 0 0 4 -3,-1.8 3,-1.8 -4,-0.2 -2,-0.2 0.824 68.3 94.5 -71.4 -35.2 54.1 22.1 38.4 73 73 A P T 3 S+ 0 0 22 0, 0.0 3,-0.1 0, 0.0 32,-0.1 -0.363 95.0 18.4 -61.1 140.0 57.7 21.0 38.8 74 74 A Q T 3 S+ 0 0 150 1,-0.3 -69,-0.3 2,-0.0 2,-0.2 0.523 92.1 143.2 78.2 8.4 59.9 21.9 35.8 75 75 A T < - 0 0 11 -3,-1.8 -1,-0.3 1,-0.1 -69,-0.2 -0.542 32.8-173.9 -82.0 144.6 57.3 24.5 34.6 76 76 A D S S+ 0 0 54 -71,-2.3 2,-0.3 1,-0.3 -70,-0.2 0.675 71.3 15.4-108.9 -24.1 58.5 27.8 33.1 77 77 A V E -c 6 0A 0 -72,-1.7 -70,-1.8 31,-0.1 2,-0.4 -0.965 60.7-158.6-154.7 133.5 55.2 29.6 32.7 78 78 A S E -ce 7 110A 0 31,-2.2 33,-2.6 -2,-0.3 2,-0.6 -0.920 6.4-153.4-117.5 140.2 51.6 29.2 34.0 79 79 A L E -ce 8 111A 0 -72,-2.8 -70,-1.7 -2,-0.4 2,-0.9 -0.917 6.0-155.7-111.3 112.0 48.4 30.5 32.6 80 80 A I E -ce 9 112A 0 31,-2.4 33,-2.7 -2,-0.6 2,-0.3 -0.751 20.9-161.8 -88.6 109.1 45.6 31.2 35.0 81 81 A C E +ce 10 113A 1 -72,-3.3 -70,-0.6 -2,-0.9 2,-0.3 -0.635 18.0 165.3 -93.0 147.0 42.4 31.0 33.0 82 82 A F E - e 0 114A 0 31,-2.0 33,-2.6 -2,-0.3 2,-0.3 -0.978 37.9-107.7-154.6 144.7 38.9 32.3 33.8 83 83 A S E > - e 0 115A 2 -2,-0.3 3,-1.3 31,-0.2 7,-0.2 -0.577 16.8-144.0 -77.0 138.8 35.8 32.8 31.8 84 84 A L T 3 S+ 0 0 0 31,-2.1 53,-3.0 1,-0.3 -1,-0.1 0.679 103.1 49.8 -72.9 -20.0 34.9 36.5 31.0 85 85 A V T 3 S+ 0 0 21 30,-0.2 -1,-0.3 51,-0.2 3,-0.1 0.020 98.9 75.7-108.9 30.1 31.3 35.6 31.4 86 86 A S <> - 0 0 37 -3,-1.3 4,-1.3 1,-0.1 3,-0.3 -0.730 51.5-178.7-140.2 88.4 31.7 33.8 34.6 87 87 A P H > S+ 0 0 29 0, 0.0 4,-2.2 0, 0.0 5,-0.2 0.799 84.0 63.3 -55.9 -29.4 32.2 36.2 37.7 88 88 A A H > S+ 0 0 68 1,-0.2 4,-2.1 2,-0.2 -2,-0.0 0.974 101.9 45.7 -59.9 -55.9 32.5 33.1 39.8 89 89 A S H 4 S+ 0 0 3 -3,-0.3 -1,-0.2 1,-0.2 -78,-0.2 0.786 110.0 58.5 -61.0 -25.2 35.6 31.8 38.1 90 90 A F H >X S+ 0 0 19 -4,-1.3 3,-2.7 1,-0.2 4,-0.5 0.983 105.4 45.5 -66.7 -57.5 37.0 35.3 38.3 91 91 A E H >X S+ 0 0 98 -4,-2.2 4,-1.3 1,-0.3 3,-0.7 0.836 105.8 66.0 -53.5 -33.6 36.8 35.5 42.1 92 92 A N H 3X>S+ 0 0 57 -4,-2.1 5,-1.5 1,-0.2 4,-1.4 0.487 84.6 72.8 -69.8 -2.1 38.3 32.0 42.1 93 93 A V H <4>S+ 0 0 0 -3,-2.7 5,-2.8 3,-0.2 -1,-0.2 0.920 106.6 32.3 -79.6 -42.5 41.6 33.3 40.7 94 94 A R H <<5S+ 0 0 97 -3,-0.7 -2,-0.2 -4,-0.5 -1,-0.1 0.790 123.1 49.1 -82.3 -28.4 42.7 35.0 43.9 95 95 A A H <5S- 0 0 56 -4,-1.3 -2,-0.2 3,-0.1 -3,-0.2 0.814 132.5 -0.4 -79.8 -33.2 41.0 32.5 46.1 96 96 A K T X5S+ 0 0 41 -4,-1.4 4,-1.6 -5,-0.1 -3,-0.2 0.760 125.5 40.6-123.3 -58.8 42.3 29.3 44.5 97 97 A W H > S+ 0 0 6 0, 0.0 4,-1.7 0, 0.0 -1,-0.2 0.889 117.5 45.8 -66.0 -37.5 47.8 30.9 45.7 100 100 A E H X S+ 0 0 2 -4,-1.6 4,-1.6 2,-0.2 5,-0.2 0.987 116.5 42.4 -65.9 -57.5 48.1 27.4 44.3 101 101 A V H X S+ 0 0 0 -4,-3.8 4,-1.7 1,-0.2 -3,-0.2 0.874 117.5 46.0 -58.3 -43.6 50.3 28.3 41.3 102 102 A R H < S+ 0 0 46 -4,-2.6 -1,-0.2 -5,-0.4 -2,-0.2 0.929 111.1 51.5 -69.0 -42.4 52.5 30.6 43.2 103 103 A H H < S+ 0 0 35 -4,-1.7 -1,-0.2 -5,-0.3 -2,-0.2 0.778 120.1 35.4 -64.3 -28.5 53.0 28.3 46.2 104 104 A H H < S+ 0 0 11 -4,-1.6 -1,-0.2 1,-0.2 -2,-0.2 0.616 129.0 36.4 -98.7 -16.2 54.0 25.4 43.9 105 105 A C S >< S- 0 0 5 -4,-1.7 3,-0.5 -5,-0.2 -1,-0.2 -0.571 74.4-178.4-133.5 68.6 55.8 27.6 41.4 106 106 A P T 3 S+ 0 0 59 0, 0.0 -3,-0.1 0, 0.0 -4,-0.0 -0.360 75.3 14.2 -64.9 155.5 57.6 30.4 43.2 107 107 A N T 3 S+ 0 0 111 1,-0.2 -5,-0.0 -5,-0.0 75,-0.0 0.921 94.1 127.0 41.6 62.1 59.4 32.7 40.8 108 108 A T < - 0 0 17 -3,-0.5 -1,-0.2 -30,-0.0 -31,-0.1 -0.976 66.2-108.6-142.1 125.1 57.6 31.4 37.7 109 109 A P - 0 0 34 0, 0.0 -31,-2.2 0, 0.0 2,-0.4 -0.301 32.6-152.2 -62.5 143.2 55.9 34.0 35.5 110 110 A I E -e 78 0A 0 40,-0.3 42,-2.0 -33,-0.2 43,-0.8 -0.957 8.4-163.2-121.0 137.2 52.1 34.0 35.5 111 111 A I E -ef 79 153A 0 -33,-2.6 -31,-2.4 -2,-0.4 2,-0.4 -0.967 11.6-147.5-118.5 124.7 49.8 35.1 32.7 112 112 A L E -ef 80 154A 0 41,-1.7 43,-1.9 -2,-0.5 2,-0.5 -0.780 18.4-167.9 -91.0 134.4 46.1 35.8 33.5 113 113 A V E -ef 81 155A 0 -33,-2.7 -31,-2.0 -2,-0.4 2,-0.8 -0.975 16.5-156.3-131.8 122.0 43.8 34.9 30.7 114 114 A G E -ef 82 156A 0 41,-2.3 43,-2.5 -2,-0.5 3,-0.3 -0.866 25.4-161.8 -94.9 109.1 40.2 35.8 30.3 115 115 A T E +e 83 0A 5 -33,-2.6 -31,-2.1 -2,-0.8 -30,-0.2 -0.231 60.4 44.1 -83.8 175.0 38.6 33.2 28.0 116 116 A K > + 0 0 66 -33,-0.2 3,-3.0 -32,-0.1 4,-0.4 0.800 57.3 164.9 58.7 34.9 35.4 33.3 26.0 117 117 A L G > + 0 0 24 40,-2.0 3,-1.2 1,-0.3 4,-0.3 0.775 68.9 67.3 -50.2 -29.5 35.9 36.9 24.8 118 118 A D G 3> S+ 0 0 48 1,-0.2 4,-0.6 2,-0.1 3,-0.3 0.626 93.6 57.6 -71.3 -10.7 33.2 36.2 22.2 119 119 A L G <4 S+ 0 0 52 -3,-3.0 -1,-0.2 1,-0.2 -2,-0.2 0.555 80.2 87.0 -95.4 -8.0 30.6 36.0 24.9 120 120 A R T <4 S+ 0 0 61 -3,-1.2 -1,-0.2 -4,-0.4 -2,-0.1 0.745 102.2 30.5 -60.3 -27.1 31.2 39.5 26.3 121 121 A D T 4 S+ 0 0 134 -3,-0.3 -1,-0.2 -4,-0.3 -2,-0.2 0.740 87.3 119.6-102.7 -34.1 28.8 40.9 23.8 122 122 A D X - 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0 0 22 -5,-2.3 -40,-0.2 1,-0.1 -1,-0.2 -0.519 35.1-133.8 -85.3 156.1 57.1 82.8 68.1 342 152 B V S S- 0 0 63 -42,-1.9 2,-0.3 1,-0.2 -41,-0.2 0.816 85.3 -0.9 -77.3 -33.7 59.4 83.5 65.2 343 153 B K E -l 301 0C 106 -43,-0.6 -41,-1.6 -7,-0.0 2,-0.5 -0.983 61.3-136.4-153.0 156.8 56.6 84.1 62.7 344 154 B Y E +l 302 0C 11 -2,-0.3 2,-0.4 -43,-0.2 -41,-0.2 -0.984 28.8 179.9-118.3 126.8 52.8 84.0 62.6 345 155 B L E -l 303 0C 21 -43,-2.4 -41,-2.5 -2,-0.5 2,-0.4 -0.974 15.8-159.8-132.0 142.9 51.2 82.4 59.5 346 156 B E E +l 304 0C 26 -2,-0.4 2,-0.3 -43,-0.2 -41,-0.2 -0.969 26.1 149.7-121.7 136.1 47.6 81.7 58.4 347 157 B C - 0 0 0 -43,-2.4 -40,-1.9 -2,-0.4 2,-0.3 -0.960 33.1-142.0-156.5 171.9 46.7 79.1 55.9 348 158 B S B > -M 353 0D 0 5,-1.2 5,-0.5 -2,-0.3 7,-0.3 -0.989 5.1-157.2-141.1 140.3 44.0 76.7 54.7 349 159 B A T 5S+ 0 0 15 -2,-0.3 3,-0.2 3,-0.2 -1,-0.1 0.857 89.6 64.3 -87.1 -38.3 44.7 73.2 53.3 350 160 B L T 5S+ 0 0 96 1,-0.3 -132,-0.2 2,-0.1 -1,-0.1 0.889 122.3 19.9 -50.1 -49.5 41.4 73.0 51.4 351 161 B T T 5S- 0 0 73 2,-0.1 -1,-0.3 -134,-0.1 -2,-0.2 0.344 102.3-136.9-102.1 2.0 42.4 75.8 49.0 352 162 B Q T 5 + 0 0 86 -3,-0.2 2,-0.4 1,-0.2 4,-0.3 0.779 42.1 163.4 42.0 43.6 46.0 75.3 49.9 353 163 B R B < -M 348 0D 129 -5,-0.5 -5,-1.2 1,-0.2 -1,-0.2 -0.732 69.2 -5.7 -90.5 131.7 46.7 79.1 50.2 354 164 B G S > S+ 0 0 31 -2,-0.4 4,-1.6 -7,-0.2 -1,-0.2 0.436 96.9 119.2 67.8 -5.4 49.8 80.2 52.1 355 165 B L H > S+ 0 0 5 -7,-0.3 4,-0.9 1,-0.2 -2,-0.1 0.809 70.7 60.0 -59.5 -26.6 50.3 76.5 52.9 356 166 B K H > S+ 0 0 130 -4,-0.3 4,-1.0 1,-0.2 3,-0.5 0.937 103.0 45.8 -67.9 -50.6 53.5 76.9 50.9 357 167 B T H > S+ 0 0 56 1,-0.2 4,-3.8 2,-0.2 5,-0.3 0.794 98.9 70.5 -67.5 -28.6 55.1 79.6 53.2 358 168 B V H X S+ 0 0 0 -4,-1.6 4,-1.4 1,-0.2 -1,-0.2 0.920 110.9 32.7 -53.5 -45.6 54.2 77.8 56.4 359 169 B F H X S+ 0 0 0 -4,-0.9 4,-1.0 -3,-0.5 -1,-0.2 0.595 117.2 54.8 -86.9 -15.8 56.9 75.2 55.5 360 170 B D H X S+ 0 0 26 -4,-1.0 4,-2.4 2,-0.2 5,-0.2 0.929 112.3 46.0 -76.1 -49.5 59.2 77.6 53.8 361 171 B E H X S+ 0 0 55 -4,-3.8 4,-1.1 2,-0.2 -2,-0.2 0.857 111.0 49.7 -57.9 -44.8 59.1 79.7 56.9 362 172 B A H X S+ 0 0 0 -4,-1.4 4,-1.1 -5,-0.3 -1,-0.2 0.889 113.2 48.9 -64.2 -37.5 59.7 76.8 59.3 363 173 B I H X S+ 0 0 0 -4,-1.0 4,-1.9 1,-0.2 -2,-0.2 0.856 111.4 48.2 -67.5 -39.7 62.6 75.8 57.0 364 174 B R H < S+ 0 0 90 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.627 105.8 61.5 -75.6 -16.7 64.0 79.3 57.0 365 175 B A H < S+ 0 0 11 -4,-1.1 -1,-0.2 -5,-0.2 -2,-0.2 0.813 113.1 33.3 -78.7 -34.4 63.6 79.3 60.8 366 176 B V H < S+ 0 0 43 -4,-1.1 2,-1.4 -3,-0.2 -2,-0.2 0.768 108.7 79.9 -87.2 -32.9 66.0 76.4 61.3 367 177 B L S < S- 0 0 29 -4,-1.9 -1,-0.2 -5,-0.2 -4,-0.0 -0.576 119.2 -41.4 -82.8 80.6 68.0 77.6 58.3 368 178 B C S S+ 0 0 117 -2,-1.4 -1,-0.2 1,-0.2 -3,-0.1 0.434 79.8 141.2 86.6 6.7 70.3 80.6 59.5 369 179 B P S S- 0 0 48 0, 0.0 -1,-0.2 0, 0.0 -4,-0.0 -0.476 74.7 -85.7 -65.2 150.4 68.3 83.0 62.0 370 180 B P - 0 0 115 0, 0.0 0, 0.0 0, 0.0 0, 0.0 -0.410 48.9-179.1 -62.2 91.7 70.7 84.1 64.8 371 181 B P + 0 0 109 0, 0.0 2,-0.3 0, 0.0 -5,-0.0 0.386 64.4 40.9 -69.4 1.0 70.3 81.2 67.2 372 182 B V + 0 0 62 1,-0.1 3,-0.0 3,-0.0 0, 0.0 -0.999 33.9 161.2-155.0 157.5 72.8 83.0 69.5 373 183 B K S S- 0 0 179 -2,-0.3 2,-0.2 1,-0.0 -1,-0.1 0.492 84.9 -12.2-134.7 -41.7 74.1 86.2 71.1 374 184 B K - 0 0 130 2,-0.0 2,-1.8 3,-0.0 -1,-0.0 -0.710 44.1-146.8-173.4 117.6 76.2 85.1 74.1 375 185 B R - 0 0 90 -2,-0.2 2,-0.9 -3,-0.0 335,-0.3 -0.350 39.2-174.4 -84.2 56.2 76.5 81.7 75.9 376 186 B K + 0 0 168 -2,-1.8 -2,-0.0 1,-0.2 -1,-0.0 -0.418 44.6 111.3 -63.5 94.8 77.0 83.6 79.1 377 187 B R S S+ 0 0 49 -2,-0.9 -1,-0.2 333,-0.2 -2,-0.0 -0.065 80.6 54.8-148.1 22.1 77.9 81.3 82.0 378 188 B K 0 0 21 334,-0.2 339,-0.1 333,-0.1 -2,-0.1 0.648 360.0 360.0-118.5 -75.2 81.5 82.7 82.2 379 189 B C 0 0 127 333,-0.1 334,-0.3 337,-0.0 338,-0.3 0.727 360.0 360.0 70.6 360.0 81.6 86.5 82.6 380 !* 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 381 309 D E 0 0 102 0, 0.0 2,-0.1 0, 0.0 155,-0.0 0.000 360.0 360.0 360.0 168.8 83.0 39.4 66.3 382 310 D Q - 0 0 111 1,-0.1 2,-0.3 2,-0.0 3,-0.2 -0.319 360.0-179.9 -54.9 120.6 80.6 41.2 68.8 383 311 D L + 0 0 41 1,-0.1 -1,-0.1 -2,-0.1 117,-0.0 -0.653 33.9 126.6-128.8 76.2 77.1 40.2 67.8 384 312 D A S S+ 0 0 102 -2,-0.3 -1,-0.1 1,-0.0 -2,-0.0 0.628 76.9 54.2 -99.9 -21.0 74.6 41.9 70.2 385 313 D Q S S+ 0 0 89 -3,-0.2 2,-1.1 1,-0.1 -2,-0.1 0.924 82.3 91.4 -77.1 -50.3 72.6 43.4 67.4 386 314 D I + 0 0 41 1,-0.2 3,-0.1 3,-0.1 -1,-0.1 -0.312 55.0 90.9 -55.6 91.0 71.9 40.2 65.4 387 315 D A S S+ 0 0 71 -2,-1.1 -1,-0.2 118,-0.1 2,-0.1 -0.159 80.7 65.4-164.5 24.2 68.6 39.1 67.0 388 316 D A + 0 0 71 115,-0.1 2,-1.5 117,-0.0 3,-0.1 -0.599 54.2 179.2-167.1 76.3 66.8 41.0 64.3 389 317 D E - 0 0 48 1,-0.4 -200,-0.1 115,-0.3 -3,-0.1 -0.337 64.4 -96.8 -85.8 52.3 67.2 39.6 60.8 390 318 D N S S- 0 0 150 -2,-1.5 -1,-0.4 3,-0.0 -3,-0.0 -0.026 74.6 -28.9 57.3-169.4 64.9 42.4 59.8 391 319 D E S S- 0 0 68 -3,-0.1 -3,-0.0 1,-0.1 0, 0.0 -0.171 82.2 -86.3 -66.7 170.3 61.2 41.6 59.5 392 320 D E - 0 0 158 1,-0.1 115,-0.2 114,-0.1 -1,-0.1 0.864 49.7-148.3 -46.6 -37.9 60.3 38.1 58.5 393 321 D D + 0 0 89 1,-0.2 -1,-0.1 2,-0.0 2,-0.1 0.845 45.3 151.9 66.7 34.0 60.8 39.4 54.9 394 322 D E - 0 0 69 1,-0.0 -1,-0.2 2,-0.0 -2,-0.0 -0.453 42.7-176.3 -96.3 167.7 58.1 36.9 54.0 395 323 D H + 0 0 146 -2,-0.1 2,-0.1 -3,-0.1 -1,-0.0 -0.202 22.1 175.5-155.7 44.0 55.5 36.7 51.2 396 324 D S - 0 0 115 1,-0.1 2,-0.5 2,-0.0 -2,-0.0 -0.342 24.1-137.1 -60.2 133.7 53.6 33.5 52.1 397 325 D V - 0 0 23 -298,-0.1 2,-1.4 -2,-0.1 -1,-0.1 -0.827 23.6-111.6 -97.5 129.4 50.5 32.9 49.9 398 326 D N + 0 0 144 -2,-0.5 2,-0.5 1,-0.0 -298,-0.1 -0.411 53.6 165.6 -62.7 92.6 47.4 31.7 51.6 399 327 D Y - 0 0 32 -2,-1.4 -303,-0.1 -300,-0.1 -304,-0.0 -0.950 31.6-142.5-120.0 121.9 47.3 28.1 50.3 400 328 D K - 0 0 171 -2,-0.5 3,-0.1 -304,-0.1 150,-0.0 -0.677 26.8-121.4 -82.2 119.8 45.1 25.4 51.7 401 329 D P - 0 0 75 0, 0.0 2,-0.1 0, 0.0 -335,-0.1 -0.319 35.4 -97.0 -61.4 146.0 46.8 22.0 51.6 402 330 D P - 0 0 5 0, 0.0 3,-0.1 0, 0.0 88,-0.1 -0.356 40.3-103.6 -65.1 136.4 45.0 19.2 49.6 403 331 D A - 0 0 86 1,-0.1 2,-0.8 -2,-0.1 -337,-0.1 -0.129 50.3 -90.4 -54.3 157.5 42.8 16.7 51.5 404 332 D Q + 0 0 149 -3,-0.1 2,-0.4 -338,-0.0 -1,-0.1 -0.675 59.5 161.6 -83.2 112.5 44.5 13.4 52.0 405 333 D K - 0 0 53 -2,-0.8 83,-0.3 -3,-0.1 2,-0.2 -0.983 29.4-130.7-130.2 139.6 43.7 11.1 49.1 406 334 D S > - 0 0 39 -2,-0.4 4,-2.3 1,-0.1 5,-0.2 -0.537 23.7-113.5 -91.2 156.0 45.6 7.9 47.9 407 335 D I H > S+ 0 0 28 1,-0.2 4,-2.5 2,-0.2 5,-0.3 0.897 118.9 51.6 -52.0 -41.9 46.8 6.9 44.5 408 336 D Q H > S+ 0 0 152 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.943 109.8 48.1 -62.1 -46.0 44.3 4.1 44.4 409 337 D E H 4 S+ 0 0 87 1,-0.2 -1,-0.2 2,-0.2 -2,-0.2 0.839 112.2 53.3 -62.9 -29.2 41.4 6.4 45.4 410 338 D I H >< S+ 0 0 1 -4,-2.3 3,-0.8 1,-0.2 4,-0.4 0.885 111.2 41.7 -72.1 -44.0 42.8 8.7 42.6 411 339 D Q H 3< S+ 0 0 94 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.756 111.7 55.6 -78.0 -23.7 42.7 6.1 39.8 412 340 D E T 3< S+ 0 0 118 -4,-2.3 3,-0.4 -5,-0.3 -1,-0.2 0.425 91.6 87.8 -85.4 5.5 39.4 4.7 40.9 413 341 D L S < S- 0 0 51 -3,-0.8 2,-0.4 1,-0.2 -2,-0.1 0.990 105.9 -1.5 -63.1 -81.5 37.9 8.3 40.6 414 342 D D S > S+ 0 0 61 -4,-0.4 3,-0.9 3,-0.1 -1,-0.2 -0.763 74.7 159.8-117.3 72.7 36.7 8.8 37.0 415 343 D K T 3 + 0 0 171 -2,-0.4 -1,-0.1 -3,-0.4 -2,-0.1 0.544 69.4 59.4 -78.7 -8.8 37.6 5.6 35.4 416 344 D D T 3 S+ 0 0 143 1,-0.1 2,-1.0 -3,-0.1 -1,-0.2 0.610 84.8 90.7 -92.7 -12.5 35.2 5.9 32.5 417 345 D D <> - 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