==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=11-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSPORT PROTEIN 16-DEC-95 1RRG . COMPND 2 MOLECULE: RAT ADP-RIBOSYLATION FACTOR-1; . SOURCE 2 ORGANISM_SCIENTIFIC: RATTUS NORVEGICUS; . AUTHOR S.E.GREASLEY,H.JHOTI,B.BAX . 354 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16561.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 274 77.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 56 15.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 28 7.9 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.6 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 1.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.3 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 . 38 10.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 52 14.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 90 25.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 1.1 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 0 0 1 3 4 0 0 0 1 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 1 0 3 0 4 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 . 1 0 1 4 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 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 0 0 0 0 0 0 0 0 0 1 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 2 A G > 0 0 29 0, 0.0 4,-0.8 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0-118.4 5.9 -14.6 3.0 2 3 A N H > + 0 0 110 2,-0.2 4,-3.2 1,-0.2 3,-0.3 0.874 360.0 67.0 -79.5 -38.5 9.0 -16.7 2.5 3 4 A I H > S+ 0 0 90 1,-0.3 4,-1.4 2,-0.2 -1,-0.2 0.819 108.0 43.9 -54.1 -24.0 11.5 -13.8 2.4 4 5 A F H > S+ 0 0 17 32,-0.3 4,-1.8 2,-0.2 -1,-0.3 0.806 108.9 55.2 -88.1 -30.5 10.5 -13.4 6.1 5 6 A A H X S+ 0 0 12 -4,-0.8 4,-0.9 -3,-0.3 -2,-0.2 0.911 107.9 50.7 -66.8 -42.1 10.7 -17.1 6.8 6 7 A N H >X S+ 0 0 84 -4,-3.2 3,-1.8 2,-0.2 4,-0.6 0.973 104.8 57.8 -58.1 -53.2 14.2 -17.0 5.5 7 8 A L H >< S+ 0 0 7 -4,-1.4 3,-0.9 1,-0.3 -2,-0.2 0.883 113.6 37.1 -42.0 -55.1 15.1 -14.1 7.8 8 9 A F H >< S+ 0 0 0 -4,-1.8 3,-1.2 1,-0.2 -1,-0.3 0.542 94.2 87.2 -82.5 -2.4 14.1 -16.0 10.9 9 10 A K H X< S+ 0 0 131 -3,-1.8 3,-0.8 -4,-0.9 -1,-0.2 0.752 85.9 55.6 -68.1 -24.1 15.4 -19.3 9.7 10 11 A G T << S+ 0 0 46 -3,-0.9 -1,-0.3 -4,-0.6 -2,-0.2 0.640 101.3 58.6 -81.2 -15.2 18.9 -18.4 11.1 11 12 A L T < S+ 0 0 3 -3,-1.2 -1,-0.2 -4,-0.2 2,-0.2 0.269 82.4 119.4 -94.4 9.6 17.4 -17.8 14.5 12 13 A F < + 0 0 48 -3,-0.8 2,-0.2 -4,-0.1 -3,-0.0 -0.528 31.0 108.0 -81.0 144.8 16.0 -21.3 14.8 13 14 A G S S- 0 0 37 2,-0.3 2,-1.0 -2,-0.2 45,-0.0 -0.871 79.1 -55.5 163.7 162.0 17.1 -23.8 17.5 14 15 A K S S+ 0 0 215 -2,-0.2 2,-0.2 2,-0.1 -2,-0.0 -0.481 99.5 91.4 -61.1 98.9 16.0 -25.5 20.7 15 16 A K S S- 0 0 98 -2,-1.0 2,-0.8 2,-0.1 -2,-0.3 -0.650 75.9-121.8 172.7 135.1 15.0 -22.3 22.6 16 17 A E - 0 0 93 -2,-0.2 2,-0.3 44,-0.1 44,-0.2 -0.834 33.9-169.7 -97.1 107.2 11.7 -20.5 22.8 17 18 A M E -a 60 0A 7 42,-2.4 44,-2.1 -2,-0.8 2,-0.4 -0.655 5.6-158.6 -94.1 154.9 12.2 -17.0 21.6 18 19 A R E -ab 61 82A 34 63,-1.1 65,-2.2 -2,-0.3 66,-1.3 -0.990 8.7-168.3-135.2 137.8 9.7 -14.2 21.9 19 20 A I E -ab 62 84A 0 42,-2.2 44,-1.7 -2,-0.4 2,-0.5 -0.984 16.7-152.8-127.6 108.8 9.4 -11.0 19.9 20 21 A L E -ab 63 85A 0 64,-2.1 66,-3.3 -2,-0.5 2,-0.6 -0.770 9.7-170.6 -84.5 127.1 7.0 -8.5 21.4 21 22 A M E +ab 64 86A 1 42,-2.7 44,-1.0 -2,-0.5 2,-0.3 -0.948 20.5 161.9-120.7 102.9 5.3 -6.1 19.1 22 23 A V E +ab 65 87A 0 64,-1.9 66,-1.8 -2,-0.6 2,-0.3 -0.746 4.6 132.6-115.9 169.4 3.4 -3.5 21.1 23 24 A G E -a 66 0A 0 42,-0.5 44,-1.7 -2,-0.3 66,-0.1 -0.888 58.9 -58.5 165.3 170.9 2.1 -0.1 20.3 24 25 A L S > S- 0 0 14 64,-0.5 3,-1.2 -2,-0.3 5,-0.3 -0.161 74.0 -75.8 -65.6 168.3 -1.1 2.0 20.7 25 26 A D T 3 S+ 0 0 72 42,-0.4 -1,-0.1 43,-0.3 -3,-0.0 -0.472 118.6 18.5 -68.2 140.5 -4.3 0.6 19.3 26 27 A A T 3 S+ 0 0 65 -2,-0.1 -1,-0.2 -3,-0.1 -2,-0.1 0.648 81.4 128.6 73.5 22.7 -4.6 1.0 15.5 27 28 A A S < S- 0 0 2 -3,-1.2 64,-0.2 61,-0.1 96,-0.1 0.730 88.1 -94.1 -78.3 -22.4 -0.8 1.5 15.0 28 29 A G S > S+ 0 0 11 -4,-0.2 4,-1.8 60,-0.1 5,-0.2 0.471 84.1 132.6 118.9 15.3 -0.7 -1.2 12.3 29 30 A K H > S+ 0 0 5 -5,-0.3 4,-1.7 1,-0.2 5,-0.1 0.865 73.9 44.3 -66.5 -41.2 0.3 -4.2 14.5 30 31 A T H > S+ 0 0 24 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.838 113.2 52.9 -72.4 -29.4 -2.2 -6.7 13.2 31 32 A T H > S+ 0 0 33 2,-0.2 4,-1.8 1,-0.2 -2,-0.2 0.850 108.1 49.8 -70.3 -39.2 -1.6 -5.7 9.6 32 33 A I H X S+ 0 0 2 -4,-1.8 4,-1.1 2,-0.2 -2,-0.2 0.904 111.6 49.5 -67.0 -44.7 2.2 -6.2 10.0 33 34 A L H >X S+ 0 0 2 -4,-1.7 4,-0.9 1,-0.2 3,-0.5 0.909 111.3 47.7 -61.9 -45.1 1.6 -9.6 11.5 34 35 A Y H 3< S+ 0 0 80 -4,-2.1 3,-0.4 1,-0.2 -1,-0.2 0.887 109.3 56.6 -64.1 -35.2 -0.7 -10.6 8.7 35 36 A K H 3< S+ 0 0 59 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.702 97.2 60.3 -66.3 -28.7 1.8 -9.3 6.1 36 37 A L H << S- 0 0 4 -4,-1.1 -32,-0.3 -3,-0.5 -1,-0.2 0.819 87.0-154.3 -70.0 -32.2 4.7 -11.5 7.3 37 38 A K < + 0 0 141 -4,-0.9 -3,-0.1 -3,-0.4 3,-0.1 0.925 45.8 140.2 54.1 49.7 2.7 -14.6 6.6 38 39 A L S S- 0 0 14 -5,-0.5 2,-0.3 1,-0.4 -1,-0.1 0.463 72.3 -69.2 -94.4 -7.5 4.6 -16.7 9.1 39 40 A G S S- 0 0 42 -6,-0.2 -1,-0.4 -5,-0.1 2,-0.2 -0.921 78.9 -16.3 149.7-172.0 1.3 -18.3 10.1 40 41 A E - 0 0 118 -2,-0.3 2,-0.8 16,-0.1 16,-0.4 -0.421 49.1-137.9 -67.3 128.9 -2.1 -18.0 11.7 41 42 A I E -C 222 0A 2 181,-0.6 181,-2.1 -2,-0.2 2,-0.4 -0.774 29.8-170.9 -86.7 112.5 -2.7 -15.0 13.9 42 43 A V E -CD 221 54A 17 12,-2.0 12,-1.7 -2,-0.8 2,-0.3 -0.939 9.8-146.3-112.0 133.6 -4.6 -16.5 16.8 43 44 A T E +CD 220 53A 7 177,-2.5 177,-0.8 -2,-0.4 2,-0.3 -0.765 20.7 169.9-100.4 142.1 -6.3 -14.4 19.5 44 45 A T E - D 0 52A 44 8,-1.5 8,-2.5 -2,-0.3 3,-0.1 -0.940 28.9-136.4-143.3 158.4 -6.6 -15.4 23.1 45 46 A I E + 0 0 17 -2,-0.3 6,-0.2 6,-0.2 3,-0.1 -0.908 17.8 179.0-124.1 95.1 -7.7 -13.6 26.3 46 47 A P E S+ 0 0 51 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.894 79.2 4.6 -60.3 -40.5 -5.4 -14.4 29.2 47 48 A T E > S- D 0 50A 46 3,-0.6 3,-1.9 -3,-0.1 -3,-0.0 -0.982 102.0 -75.9-144.8 148.9 -7.4 -12.0 31.4 48 49 A I T 3 S+ 0 0 116 -2,-0.3 3,-0.1 1,-0.3 -3,-0.0 -0.169 122.8 14.2 -48.2 127.9 -10.6 -10.1 30.9 49 50 A G T 3 S+ 0 0 78 1,-0.1 2,-0.4 -4,-0.0 -1,-0.3 0.744 101.1 111.4 76.2 19.4 -9.7 -7.1 28.7 50 51 A F E < -D 47 0A 13 -3,-1.9 -3,-0.6 2,-0.0 2,-0.5 -0.837 44.9-177.1-128.9 93.2 -6.4 -8.5 27.8 51 52 A N E - 0 0 79 -2,-0.4 2,-0.5 -6,-0.2 15,-0.4 -0.833 2.4-176.6 -90.9 122.0 -6.3 -9.4 24.1 52 53 A V E -D 44 0A 0 -8,-2.5 -8,-1.5 -2,-0.5 2,-0.4 -0.970 10.0-162.6-123.9 124.7 -3.1 -11.1 22.9 53 54 A E E -DE 43 64A 24 11,-2.7 11,-3.5 -2,-0.5 2,-0.3 -0.883 14.6-176.1-103.5 141.2 -2.5 -12.0 19.3 54 55 A T E -DE 42 63A 23 -12,-1.7 -12,-2.0 -2,-0.4 2,-0.5 -0.990 19.8-167.9-138.5 139.0 0.3 -14.5 18.6 55 56 A V E - E 0 62A 2 7,-1.5 7,-3.9 -2,-0.3 2,-0.6 -0.999 15.7-158.0-121.6 120.4 1.9 -16.0 15.5 56 57 A E E + E 0 61A 134 -2,-0.5 5,-0.2 -16,-0.4 -16,-0.1 -0.938 16.6 173.3-103.1 120.8 4.2 -18.9 16.3 57 58 A Y - 0 0 52 3,-3.5 -1,-0.2 -2,-0.6 4,-0.2 0.873 62.6 -61.9 -90.9 -57.7 6.7 -19.4 13.6 58 59 A K S S- 0 0 128 2,-0.9 -49,-0.0 -41,-0.1 -46,-0.0 -0.212 112.7 -15.5-151.9-104.4 8.9 -22.1 15.0 59 60 A N S S+ 0 0 16 -2,-0.1 -42,-2.4 -3,-0.1 2,-0.6 0.626 125.9 87.5 -84.8 -9.6 10.9 -21.5 18.1 60 61 A I E -a 17 0A 0 -44,-0.2 -3,-3.5 -52,-0.1 -2,-0.9 -0.782 62.7-168.9 -95.7 119.0 10.0 -17.9 17.4 61 62 A S E -aE 18 56A 2 -44,-2.1 -42,-2.2 -2,-0.6 2,-0.8 -0.915 12.3-150.1-108.6 130.6 6.7 -16.5 18.8 62 63 A F E -aE 19 55A 0 -7,-3.9 -7,-1.5 -2,-0.5 2,-0.5 -0.849 18.7-170.8-101.5 100.2 5.3 -13.2 17.7 63 64 A T E +aE 20 54A 0 -44,-1.7 -42,-2.7 -2,-0.8 2,-0.3 -0.820 6.2 179.0 -97.9 127.2 3.3 -11.8 20.6 64 65 A V E +aE 21 53A 0 -11,-3.5 -11,-2.7 -2,-0.5 2,-0.3 -0.937 10.8 152.1-128.6 145.0 1.2 -8.7 20.1 65 66 A W E -a 22 0A 3 -44,-1.0 -42,-0.5 -2,-0.3 2,-0.1 -0.946 42.6-101.4-164.5 152.6 -1.1 -6.6 22.3 66 67 A D E -a 23 0A 83 -15,-0.4 2,-0.4 -2,-0.3 -42,-0.2 -0.434 32.4-141.8 -77.1 162.1 -2.2 -3.0 22.4 67 68 A V + 0 0 1 -44,-1.7 -42,-0.4 1,-0.2 36,-0.1 -0.969 62.7 31.9-133.1 138.4 -0.8 -0.6 24.9 68 69 A G 0 0 31 -2,-0.4 -43,-0.3 -44,-0.1 -1,-0.2 0.827 360.0 360.0 84.3 100.5 -2.4 2.3 26.8 69 70 A G 0 0 135 -3,-0.1 -1,-0.1 2,-0.1 -45,-0.0 -0.989 360.0 360.0-145.7 360.0 -6.0 1.7 27.9 70 ! 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 71 74 A I 0 0 111 0, 0.0 -2,-0.1 0, 0.0 36,-0.0 0.000 360.0 360.0 360.0-159.0 0.9 -1.3 32.7 72 75 A R - 0 0 75 1,-0.1 4,-0.5 0, 0.0 3,-0.3 -0.971 360.0-132.2-163.0 146.7 -0.1 -4.9 33.9 73 76 A P S >> S+ 0 0 96 0, 0.0 3,-2.2 0, 0.0 4,-0.5 0.978 104.2 59.1 -62.8 -58.5 1.3 -7.8 36.1 74 77 A L H >> S+ 0 0 47 1,-0.3 4,-0.9 2,-0.2 3,-0.7 0.735 93.2 72.3 -43.6 -28.4 0.6 -10.6 33.6 75 78 A W H >> S+ 0 0 19 -3,-0.3 4,-2.3 1,-0.2 3,-0.8 0.865 85.5 63.2 -57.0 -42.7 2.9 -8.8 31.2 76 79 A R H <> S+ 0 0 100 -3,-2.2 4,-1.4 -4,-0.5 -1,-0.2 0.852 95.8 59.0 -52.9 -41.2 6.0 -9.7 33.2 77 80 A H H << S+ 0 0 105 -3,-0.7 -1,-0.3 -4,-0.5 3,-0.2 0.880 108.8 45.3 -54.9 -44.1 5.5 -13.4 32.5 78 81 A Y H XX S+ 0 0 27 -4,-0.9 3,-1.3 -3,-0.8 4,-0.6 0.947 105.1 60.9 -64.8 -48.1 5.7 -12.6 28.9 79 82 A F H >< S+ 0 0 2 -4,-2.3 3,-0.7 1,-0.3 -2,-0.2 0.742 85.3 80.4 -50.8 -29.1 8.7 -10.4 29.3 80 83 A Q T 3< S+ 0 0 125 -4,-1.4 -1,-0.3 1,-0.2 -2,-0.1 0.348 104.4 29.0 -67.3 13.1 10.6 -13.4 30.7 81 84 A N T <4 S+ 0 0 43 -3,-1.3 -63,-1.1 -64,-0.0 2,-0.5 0.412 86.1 123.8-145.1 -15.0 11.3 -14.7 27.1 82 85 A T E << +b 18 0A 8 -3,-0.7 -63,-0.2 -4,-0.6 33,-0.1 -0.456 24.7 171.0 -64.6 111.6 11.4 -11.5 25.0 83 86 A Q E S+ 0 0 36 -65,-2.2 34,-1.8 -2,-0.5 2,-0.3 0.838 72.4 20.5 -86.8 -38.6 14.6 -11.2 23.1 84 87 A G E -bf 19 117A 0 -66,-1.3 -64,-2.1 32,-0.3 2,-0.4 -0.973 62.1-155.7-138.2 147.0 13.4 -8.3 21.0 85 88 A L E -bf 20 118A 4 32,-3.1 34,-2.0 -2,-0.3 2,-0.4 -0.969 7.6-165.9-119.9 133.4 10.7 -5.6 21.3 86 89 A I E -bf 21 119A 2 -66,-3.3 -64,-1.9 -2,-0.4 2,-0.4 -0.927 4.2-163.2-114.8 143.5 9.3 -3.9 18.3 87 90 A F E -bf 22 120A 0 32,-2.7 34,-2.5 -2,-0.4 2,-0.4 -0.974 5.1-159.0-131.1 112.2 7.2 -0.7 18.8 88 91 A V E - f 0 121A 1 -66,-1.8 -64,-0.5 -2,-0.4 2,-0.3 -0.788 8.5-163.4 -94.3 137.4 5.0 0.4 15.9 89 92 A V E - f 0 122A 5 32,-3.0 2,-1.3 -2,-0.4 34,-1.0 -0.899 25.8-127.1-120.3 146.2 3.9 4.0 15.8 90 93 A D E > - f 0 123A 29 -2,-0.3 3,-1.8 1,-0.2 6,-0.2 -0.800 26.1-169.9 -88.3 94.2 1.1 5.7 13.9 91 94 A S T 3 S+ 0 0 0 32,-1.8 40,-1.5 -2,-1.3 -1,-0.2 0.850 84.7 55.6 -54.8 -32.9 3.3 8.4 12.4 92 95 A N T 3 S+ 0 0 59 31,-0.3 2,-1.4 38,-0.2 -1,-0.3 0.645 87.8 83.6 -77.2 -11.9 0.2 10.1 11.1 93 96 A D X + 0 0 37 -3,-1.8 3,-0.6 1,-0.2 4,-0.4 -0.674 50.7 166.9 -93.4 84.0 -1.3 10.2 14.6 94 97 A R T 3 + 0 0 109 -2,-1.4 3,-0.3 1,-0.2 4,-0.3 0.710 69.5 65.4 -68.6 -20.1 0.5 13.4 15.9 95 98 A E T 3 S+ 0 0 169 1,-0.2 -1,-0.2 -3,-0.2 3,-0.2 0.822 106.3 33.8 -75.3 -32.3 -1.9 13.4 18.8 96 99 A R S <> S+ 0 0 62 -3,-0.6 4,-1.8 -6,-0.2 3,-0.3 0.252 84.2 97.2-113.0 17.1 -0.9 10.2 20.6 97 100 A V H > S+ 0 0 4 -4,-0.4 4,-2.6 -3,-0.3 -1,-0.1 0.812 80.6 61.9 -72.8 -27.5 2.9 10.0 20.0 98 101 A N H > S+ 0 0 83 -4,-0.3 4,-1.3 1,-0.2 -1,-0.2 0.855 108.0 45.0 -65.1 -30.9 3.5 11.6 23.4 99 102 A E H > S+ 0 0 78 -3,-0.3 4,-2.5 2,-0.2 5,-0.3 0.864 106.7 57.1 -76.1 -44.4 1.6 8.5 24.7 100 103 A A H X S+ 0 0 4 -4,-1.8 4,-2.6 1,-0.2 -2,-0.2 0.932 107.8 50.7 -51.6 -45.6 3.6 6.1 22.5 101 104 A R H X S+ 0 0 80 -4,-2.6 4,-3.2 2,-0.2 5,-0.2 0.900 107.7 52.3 -59.9 -46.2 6.7 7.6 24.2 102 105 A E H X S+ 0 0 112 -4,-1.3 4,-2.6 2,-0.2 -2,-0.2 0.952 113.9 41.0 -56.5 -55.3 5.3 7.0 27.7 103 106 A E H X S+ 0 0 17 -4,-2.5 4,-2.3 2,-0.2 5,-0.2 0.928 114.7 53.2 -59.4 -46.5 4.5 3.4 27.2 104 107 A L H >X S+ 0 0 0 -4,-2.6 4,-2.5 -5,-0.3 3,-0.5 0.957 112.4 43.8 -53.7 -53.1 7.8 2.9 25.3 105 108 A M H 3X S+ 0 0 49 -4,-3.2 4,-1.3 1,-0.2 -1,-0.2 0.878 113.4 53.1 -62.6 -32.8 9.7 4.4 28.1 106 109 A R H 3< S+ 0 0 89 -4,-2.6 -1,-0.2 -5,-0.2 -2,-0.2 0.788 110.7 46.8 -72.1 -26.9 7.6 2.3 30.5 107 110 A M H X< S+ 0 0 1 -4,-2.3 3,-1.4 -3,-0.5 -2,-0.2 0.866 110.2 50.5 -80.4 -44.0 8.4 -0.9 28.6 108 111 A L H 3< S+ 0 0 19 -4,-2.5 -2,-0.2 1,-0.3 -1,-0.2 0.790 102.5 65.1 -63.8 -28.7 12.2 -0.2 28.4 109 112 A A T 3< S+ 0 0 79 -4,-1.3 2,-0.5 -5,-0.3 -1,-0.3 0.270 78.5 105.8 -78.2 6.0 12.0 0.4 32.2 110 113 A E S X S- 0 0 25 -3,-1.4 3,-1.4 3,-0.1 -3,-0.0 -0.809 72.2-134.2 -92.7 128.4 11.1 -3.2 32.9 111 114 A D G > S+ 0 0 97 -2,-0.5 3,-0.9 1,-0.3 4,-0.2 0.761 102.1 49.5 -52.3 -35.1 13.9 -5.4 34.3 112 115 A E G 3 S+ 0 0 56 1,-0.2 3,-0.4 2,-0.1 -1,-0.3 0.694 108.9 54.2 -81.4 -15.4 13.4 -8.4 32.1 113 116 A L G X S+ 0 0 2 -3,-1.4 3,-0.7 -6,-0.2 -1,-0.2 0.054 78.1 102.3-103.5 27.7 13.3 -6.3 29.0 114 117 A R T < S+ 0 0 111 -3,-0.9 -1,-0.2 1,-0.2 -2,-0.1 0.792 86.0 40.1 -78.4 -32.3 16.7 -4.7 29.9 115 118 A D T 3 S+ 0 0 128 -3,-0.4 2,-0.4 -4,-0.2 -1,-0.2 -0.113 91.4 119.8-108.5 36.5 18.6 -6.8 27.4 116 119 A A < - 0 0 5 -3,-0.7 2,-0.3 -8,-0.1 -32,-0.3 -0.849 64.2-121.7-106.9 136.5 16.0 -6.7 24.6 117 120 A V E -f 84 0A 5 -34,-1.8 -32,-3.1 -2,-0.4 2,-0.4 -0.578 27.3-141.1 -75.3 134.2 16.7 -5.2 21.1 118 121 A L E -f 85 0A 1 31,-2.3 2,-0.4 -2,-0.3 33,-0.3 -0.820 20.3-179.8-100.8 134.6 14.4 -2.4 20.2 119 122 A L E -f 86 0A 0 -34,-2.0 -32,-2.7 -2,-0.4 2,-0.5 -0.992 10.7-160.9-133.5 119.8 13.0 -1.9 16.7 120 123 A V E -fg 87 152A 0 31,-3.3 33,-2.6 -2,-0.4 2,-0.6 -0.920 3.9-157.1-103.8 122.8 10.7 1.1 16.2 121 124 A F E -fg 88 153A 0 -34,-2.5 -32,-3.0 -2,-0.5 2,-1.4 -0.922 3.3-159.0-100.1 116.1 8.4 0.9 13.1 122 125 A A E -fg 89 154A 0 31,-2.5 33,-1.8 -2,-0.6 3,-0.2 -0.710 31.6-178.1 -95.3 77.5 7.4 4.4 12.1 123 126 A N E +f 90 0A 4 -2,-1.4 -32,-1.8 -34,-1.0 -31,-0.3 -0.166 48.7 48.5 -72.4 170.0 4.4 3.0 10.1 124 127 A K > + 0 0 52 -34,-0.2 3,-1.8 -33,-0.1 32,-0.2 0.773 59.7 150.9 65.5 33.3 1.7 4.8 8.0 125 128 A Q T 3 + 0 0 55 30,-2.2 5,-0.2 1,-0.3 31,-0.2 0.704 61.1 70.1 -65.8 -19.7 4.4 6.7 6.2 126 129 A D T 3 S+ 0 0 97 29,-0.2 -1,-0.3 3,-0.1 30,-0.1 0.565 74.4 102.9 -75.0 -13.3 2.1 6.8 3.2 127 130 A L S X S- 0 0 61 -3,-1.8 3,-1.5 1,-0.1 0, 0.0 -0.619 80.4-122.0 -78.1 132.1 -0.3 9.2 4.9 128 131 A P T 3 S+ 0 0 121 0, 0.0 -1,-0.1 0, 0.0 -3,-0.0 0.745 107.2 33.1 -38.5 -49.7 0.1 12.9 3.7 129 132 A N T 3 S+ 0 0 122 -37,-0.1 2,-0.5 2,-0.0 -35,-0.1 -0.336 86.4 142.8-111.6 50.8 0.9 14.5 7.0 130 133 A A < - 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