==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER NUCLEOTIDE BINDING PROTEIN 25-APR-06 2CL0 . COMPND 2 MOLECULE: GTPASE HRAS; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR B.U.KLINK,R.S.GOODY,A.J.SCHEIDIG . 166 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8170.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 124 74.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 25 15.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 11 6.6 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 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 . 1 0.6 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 . 19 11.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 16 9.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 46 27.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 1.8 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 1 1 0 0 0 1 2 1 0 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 1 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 PARALLEL BRIDGES PER LADDER . 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 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 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 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 X M 0 0 121 0, 0.0 2,-0.5 0, 0.0 50,-0.2 0.000 360.0 360.0 360.0 179.2 39.9 32.8 36.0 2 2 X T E -a 51 0A 55 48,-1.1 50,-2.6 1,-0.0 2,-0.4 -0.607 360.0-156.1 -80.6 126.9 42.2 35.6 35.2 3 3 X E E -a 52 0A 85 -2,-0.5 2,-0.5 48,-0.2 50,-0.2 -0.821 5.5-165.4-104.2 135.6 42.3 38.3 37.9 4 4 X Y E -a 53 0A 17 48,-2.4 50,-2.7 -2,-0.4 2,-0.8 -0.993 10.9-148.6-120.0 125.9 43.4 41.9 37.0 5 5 X K E -a 54 0A 58 -2,-0.5 71,-2.9 48,-0.2 72,-1.5 -0.825 21.4-176.6-100.4 105.2 44.2 44.2 39.9 6 6 X L E -ab 55 77A 2 48,-3.1 50,-2.5 -2,-0.8 2,-0.4 -0.761 9.9-161.4-106.3 144.5 43.3 47.8 38.9 7 7 X V E -ab 56 78A 2 70,-2.1 72,-2.8 -2,-0.3 2,-0.5 -0.996 6.4-151.4-128.2 132.8 43.9 51.0 41.0 8 8 X V E +ab 57 79A 0 48,-2.5 50,-1.8 -2,-0.4 2,-0.3 -0.901 26.3 164.7-104.1 121.1 42.2 54.3 40.5 9 9 X V E + b 0 80A 1 70,-2.6 72,-2.9 -2,-0.5 2,-0.2 -0.885 11.0 103.3-134.0 165.4 44.2 57.4 41.6 10 10 X G E - b 0 81A 0 -2,-0.3 72,-0.2 49,-0.2 3,-0.1 -0.796 64.1 -34.5 140.7 172.9 44.1 61.2 41.1 11 11 X A S > S- 0 0 2 70,-0.6 3,-1.5 78,-0.3 5,-0.3 -0.063 73.0 -81.3 -63.6 156.9 43.2 64.5 42.7 12 12 X G T 3 S+ 0 0 29 1,-0.2 -1,-0.1 2,-0.1 47,-0.1 -0.287 111.3 13.7 -59.2 134.6 40.3 64.9 45.1 13 13 X G T 3 S+ 0 0 54 -3,-0.1 -1,-0.2 1,-0.1 -2,-0.1 0.430 83.7 119.6 87.2 0.5 36.9 65.4 43.5 14 14 X V S < S- 0 0 0 -3,-1.5 70,-0.1 67,-0.1 -2,-0.1 0.668 89.3 -99.2 -75.4 -16.2 37.8 64.3 39.9 15 15 X G S > S+ 0 0 15 -4,-0.2 4,-2.7 66,-0.1 5,-0.2 0.659 72.1 143.6 107.6 22.9 35.3 61.4 40.0 16 16 X K H > S+ 0 0 11 -5,-0.3 4,-1.9 2,-0.2 5,-0.1 0.932 81.3 40.7 -55.3 -47.9 37.4 58.3 40.8 17 17 X S H > S+ 0 0 24 1,-0.2 4,-3.0 2,-0.2 5,-0.3 0.936 113.3 53.3 -71.7 -43.2 34.6 56.8 42.9 18 18 X A H > S+ 0 0 14 1,-0.2 4,-2.2 2,-0.2 -2,-0.2 0.902 110.1 49.1 -55.1 -44.7 31.8 57.8 40.5 19 19 X L H X S+ 0 0 1 -4,-2.7 4,-2.2 2,-0.2 -1,-0.2 0.918 112.0 47.6 -60.5 -44.6 33.7 56.1 37.6 20 20 X T H X S+ 0 0 0 -4,-1.9 4,-2.4 -5,-0.2 5,-0.2 0.926 112.8 47.7 -66.2 -44.8 34.2 52.9 39.6 21 21 X I H X>S+ 0 0 11 -4,-3.0 4,-3.1 2,-0.2 5,-0.6 0.872 109.5 54.3 -63.8 -36.4 30.6 52.8 40.7 22 22 X Q H X5S+ 0 0 8 -4,-2.2 4,-1.4 -5,-0.3 -2,-0.2 0.941 111.4 46.1 -63.0 -43.3 29.4 53.5 37.1 23 23 X L H <5S+ 0 0 1 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.910 124.2 30.8 -63.4 -45.8 31.4 50.5 35.9 24 24 X I H <5S+ 0 0 29 -4,-2.4 -2,-0.2 -5,-0.1 -3,-0.2 0.902 134.4 23.3 -83.2 -44.8 30.4 48.1 38.6 25 25 X Q H <5S- 0 0 100 -4,-3.1 -3,-0.2 -5,-0.2 -2,-0.2 0.385 92.5-128.0-112.4 -0.7 26.8 49.2 39.5 26 26 X N S < S-C 49 0A 2 3,-2.6 3,-1.6 -2,-0.6 -2,-0.0 -0.984 70.9 -19.3-124.9 118.1 36.9 41.2 28.0 47 47 X D T 3 S- 0 0 101 -2,-0.5 -1,-0.1 1,-0.3 3,-0.1 0.856 129.4 -50.1 46.3 47.0 38.1 40.2 24.5 48 48 X G T 3 S+ 0 0 72 1,-0.2 2,-0.5 0, 0.0 -1,-0.3 0.483 115.1 112.7 81.4 3.8 36.8 36.7 24.9 49 49 X E E < - C 0 46A 59 -3,-1.6 -3,-2.6 -48,-0.0 2,-0.5 -0.945 67.3-130.9-108.3 127.9 38.6 36.1 28.3 50 50 X T E - C 0 45A 66 -2,-0.5 -48,-1.1 -5,-0.2 2,-0.3 -0.686 40.5-177.6 -76.4 124.0 36.5 35.7 31.4 51 51 X C E -aC 2 44A 0 -7,-3.3 -7,-2.3 -2,-0.5 2,-0.5 -0.895 30.2-143.1-127.7 149.3 38.2 38.1 33.8 52 52 X L E -aC 3 43A 19 -50,-2.6 -48,-2.4 -2,-0.3 2,-0.6 -0.988 21.0-154.7-111.9 117.1 37.8 39.1 37.5 53 53 X L E -aC 4 42A 0 -11,-3.3 -11,-1.7 -2,-0.5 2,-0.5 -0.865 8.0-169.0 -93.8 121.0 38.4 42.8 37.9 54 54 X D E -aC 5 41A 21 -50,-2.7 -48,-3.1 -2,-0.6 2,-0.5 -0.960 12.4-169.2-105.0 121.2 39.5 43.8 41.4 55 55 X I E -aC 6 40A 2 -15,-2.7 -15,-2.0 -2,-0.5 2,-0.6 -0.970 14.5-158.5-123.8 121.2 39.4 47.6 41.6 56 56 X L E -aC 7 39A 23 -50,-2.5 -48,-2.5 -2,-0.5 2,-0.7 -0.908 9.7-158.0 -96.5 116.5 40.9 49.6 44.4 57 57 X D E -aC 8 38A 2 -19,-2.6 -19,-1.4 -2,-0.6 2,-0.2 -0.880 17.1-172.0 -93.9 112.0 39.3 53.0 44.6 58 58 X T E - C 0 37A 5 -50,-1.8 -21,-0.2 -2,-0.7 2,-0.2 -0.704 19.7-117.4-105.9 163.9 41.7 55.4 46.5 59 59 X A - 0 0 8 -23,-1.7 -49,-0.2 -2,-0.2 -47,-0.1 -0.521 40.8 -86.6 -90.8 162.2 41.2 59.0 47.7 60 60 X G > - 0 0 1 -2,-0.2 3,-2.4 1,-0.1 -49,-0.2 -0.249 42.4-103.8 -62.5 156.7 43.1 62.0 46.4 61 61 X Q T 3 S+ 0 0 85 1,-0.3 -1,-0.1 -51,-0.1 -50,-0.1 0.672 115.2 78.4 -55.2 -21.4 46.5 62.9 48.2 62 62 X E T 3 S+ 0 0 119 2,-0.1 2,-0.4 1,-0.0 -1,-0.3 0.711 90.1 64.1 -61.1 -22.0 44.6 65.7 49.9 63 63 X E S < S- 0 0 90 -3,-2.4 2,-0.2 -27,-0.1 -4,-0.1 -0.902 88.3-120.6-111.5 138.4 43.2 63.0 52.3 64 64 X Y - 0 0 208 -2,-0.4 2,-0.3 1,-0.0 -2,-0.1 -0.500 34.6-160.4 -73.6 138.3 45.2 60.9 54.7 65 65 X S - 0 0 11 -2,-0.2 2,-0.7 -4,-0.1 4,-0.1 -0.754 23.3-120.5-115.1 162.8 45.0 57.1 54.1 66 66 X A S S- 0 0 55 -2,-0.3 5,-0.1 1,-0.1 -30,-0.0 -0.950 98.4 -19.2 -96.9 115.7 45.6 53.9 55.9 67 67 X M S > S+ 0 0 85 -2,-0.7 4,-3.6 3,-0.1 3,-0.3 0.631 81.3 160.4 69.6 20.9 48.2 52.0 53.9 68 68 X R H > S+ 0 0 29 1,-0.3 4,-3.2 2,-0.2 5,-0.2 0.866 76.6 37.9 -40.4 -59.3 47.7 53.9 50.7 69 69 X D H > S+ 0 0 66 2,-0.2 4,-1.9 1,-0.2 -1,-0.3 0.814 116.2 51.8 -70.1 -33.5 51.1 52.9 49.2 70 70 X Q H > S+ 0 0 116 -3,-0.3 4,-0.8 2,-0.2 -1,-0.2 0.949 114.1 44.4 -65.6 -47.2 50.9 49.4 50.6 71 71 X Y H >< S+ 0 0 93 -4,-3.6 3,-1.0 1,-0.2 -2,-0.2 0.936 115.1 48.6 -58.0 -50.5 47.4 48.9 49.0 72 72 X M H >< S+ 0 0 1 -4,-3.2 3,-2.0 -5,-0.3 -1,-0.2 0.803 98.0 70.7 -58.3 -32.3 48.7 50.6 45.8 73 73 X R H 3< S+ 0 0 123 -4,-1.9 -1,-0.2 1,-0.3 -2,-0.2 0.812 92.8 57.6 -54.4 -34.9 51.7 48.3 45.8 74 74 X T T << S+ 0 0 97 -3,-1.0 -1,-0.3 -4,-0.8 -2,-0.2 0.505 84.4 111.2 -74.7 -10.4 49.4 45.3 45.0 75 75 X G < - 0 0 0 -3,-2.0 -69,-0.2 -4,-0.2 3,-0.1 -0.445 48.1-166.9 -74.3 141.3 48.1 47.0 41.7 76 76 X E S S+ 0 0 76 -71,-2.9 2,-0.3 1,-0.3 -70,-0.2 0.701 77.9 12.2 -92.6 -27.8 48.9 45.7 38.3 77 77 X G E -b 6 0A 0 -72,-1.5 -70,-2.1 32,-0.1 2,-0.4 -0.987 69.5-143.7-150.9 153.0 47.6 48.7 36.4 78 78 X F E -bd 7 111A 1 32,-2.1 34,-1.9 -2,-0.3 2,-0.7 -0.956 7.6-149.3-126.7 132.9 46.6 52.3 37.3 79 79 X L E -bd 8 112A 1 -72,-2.8 -70,-2.6 -2,-0.4 2,-0.8 -0.919 18.0-157.4 -92.8 118.0 43.9 54.7 36.0 80 80 X C E -bd 9 113A 1 32,-2.8 34,-2.6 -2,-0.7 2,-0.4 -0.883 18.8-163.9-100.8 106.2 45.4 58.1 36.5 81 81 X V E +bd 10 114A 0 -72,-2.9 -70,-0.6 -2,-0.8 2,-0.3 -0.764 22.3 161.0-104.5 131.8 42.3 60.4 36.6 82 82 X F E - d 0 115A 0 32,-2.6 34,-3.1 -2,-0.4 2,-0.4 -0.830 36.8-116.6-127.7 172.2 41.9 64.2 36.3 83 83 X A E > - d 0 116A 0 3,-0.5 3,-1.8 -2,-0.3 7,-0.2 -0.941 14.4-133.8-113.8 137.7 38.8 66.2 35.5 84 84 X I T 3 S+ 0 0 0 32,-2.9 40,-2.7 -2,-0.4 41,-2.2 0.633 107.6 51.7 -66.6 -13.4 38.6 68.2 32.2 85 85 X N T 3 S+ 0 0 54 31,-0.3 -1,-0.3 38,-0.3 2,-0.3 -0.021 99.4 71.3-106.4 28.1 37.2 71.2 34.2 86 86 X N <> - 0 0 57 -3,-1.8 4,-1.2 1,-0.1 -3,-0.5 -0.762 54.4-178.5-149.2 86.2 40.0 71.2 36.8 87 87 X T H > S+ 0 0 57 -2,-0.3 4,-2.3 1,-0.2 3,-0.4 0.879 84.0 56.9 -55.5 -42.3 43.3 72.4 35.5 88 88 X K H > S+ 0 0 118 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.885 102.5 55.6 -59.7 -38.5 45.1 71.8 38.8 89 89 X S H 4 S+ 0 0 0 -3,-0.3 4,-0.4 1,-0.2 -78,-0.3 0.854 109.2 47.6 -62.9 -34.0 44.0 68.1 38.8 90 90 X F H >< S+ 0 0 36 -4,-1.2 3,-1.3 -3,-0.4 4,-0.4 0.915 110.6 50.5 -68.5 -43.9 45.7 67.7 35.4 91 91 X E H >< S+ 0 0 103 -4,-2.3 3,-0.5 1,-0.3 4,-0.3 0.803 106.6 57.2 -64.2 -30.0 48.8 69.5 36.6 92 92 X D T >X S+ 0 0 36 -4,-1.9 4,-1.4 1,-0.2 3,-0.9 0.596 82.2 88.2 -74.6 -19.4 48.8 67.1 39.6 93 93 X I H <> S+ 0 0 0 -3,-1.3 4,-2.7 -4,-0.4 3,-0.5 0.894 79.5 60.3 -51.4 -43.9 48.9 63.9 37.4 94 94 X H H <> S+ 0 0 84 -3,-0.5 4,-2.5 -4,-0.4 -1,-0.3 0.861 103.8 50.1 -57.0 -36.8 52.7 63.9 37.2 95 95 X Q H <> S+ 0 0 93 -3,-0.9 4,-2.2 -4,-0.3 -1,-0.3 0.842 109.4 51.6 -68.6 -33.1 52.9 63.5 41.0 96 96 X Y H X S+ 0 0 4 -4,-1.4 4,-2.2 -3,-0.5 -2,-0.2 0.919 110.7 48.3 -67.0 -44.1 50.5 60.6 41.0 97 97 X R H X S+ 0 0 40 -4,-2.7 4,-2.7 1,-0.2 -2,-0.2 0.938 110.4 51.0 -61.5 -46.8 52.6 59.0 38.3 98 98 X E H X S+ 0 0 50 -4,-2.5 4,-2.3 2,-0.2 -1,-0.2 0.890 108.5 52.5 -55.2 -43.5 55.8 59.6 40.3 99 99 X Q H X S+ 0 0 11 -4,-2.2 4,-3.1 1,-0.2 5,-0.3 0.940 110.8 47.7 -59.3 -46.2 54.1 58.0 43.4 100 100 X I H X S+ 0 0 0 -4,-2.2 4,-2.8 1,-0.2 6,-0.2 0.939 110.0 51.2 -58.8 -48.5 53.2 54.9 41.3 101 101 X K H <>S+ 0 0 56 -4,-2.7 5,-1.6 1,-0.2 4,-0.4 0.882 114.4 45.0 -60.3 -38.6 56.7 54.6 39.9 102 102 X R H ><5S+ 0 0 156 -4,-2.3 3,-1.0 3,-0.2 -2,-0.2 0.961 114.0 46.5 -65.2 -55.1 58.1 54.8 43.4 103 103 X V H 3<5S+ 0 0 12 -4,-3.1 -2,-0.2 1,-0.3 -3,-0.2 0.855 120.3 39.3 -63.4 -35.1 55.6 52.3 45.0 104 104 X K T 3<5S- 0 0 72 -4,-2.8 -1,-0.3 -5,-0.3 -2,-0.2 0.474 101.5-136.7 -88.7 -4.8 56.1 49.8 42.1 105 105 X D T < 5S+ 0 0 151 -3,-1.0 2,-0.3 -4,-0.4 -3,-0.2 0.844 70.3 99.5 50.3 41.6 59.8 50.6 42.0 106 106 X S < - 0 0 44 -5,-1.6 -2,-0.2 -6,-0.2 -1,-0.2 -0.995 66.4-149.9-154.3 147.3 59.5 50.6 38.2 107 107 X D S S+ 0 0 127 -2,-0.3 2,-0.4 1,-0.2 -6,-0.1 0.314 92.3 68.7 -97.2 4.9 59.3 53.2 35.4 108 108 X D + 0 0 103 -7,-0.1 -1,-0.2 -4,-0.1 0, 0.0 -0.784 63.6 144.9-128.6 78.1 57.3 50.7 33.2 109 109 X V - 0 0 17 -2,-0.4 2,-0.1 -3,-0.1 -32,-0.1 -0.971 56.0-105.4-117.1 131.5 53.9 50.3 34.9 110 110 X P + 0 0 13 0, 0.0 -32,-2.1 0, 0.0 2,-0.3 -0.393 55.6 160.0 -59.1 131.4 50.7 49.8 33.0 111 111 X M E -d 78 0A 6 -34,-0.2 2,-0.4 -2,-0.1 -32,-0.2 -0.987 31.6-158.0-152.2 151.0 48.7 53.0 33.1 112 112 X V E -d 79 0A 0 -34,-1.9 -32,-2.8 -2,-0.3 2,-0.5 -0.998 20.2-135.3-130.1 134.7 45.9 54.9 31.3 113 113 X L E -de 80 141A 1 27,-2.4 29,-2.6 -2,-0.4 2,-0.5 -0.821 25.6-164.6 -87.2 126.8 45.4 58.7 31.5 114 114 X V E -de 81 142A 0 -34,-2.6 -32,-2.6 -2,-0.5 2,-0.7 -0.957 15.5-163.2-122.0 120.1 41.7 59.5 32.1 115 115 X G E -de 82 143A 0 27,-2.1 29,-2.4 -2,-0.5 3,-0.3 -0.927 25.9-168.1 -99.3 106.4 40.0 62.9 31.6 116 116 X N E +d 83 0A 4 -34,-3.1 -32,-2.9 -2,-0.7 -31,-0.3 -0.401 55.5 48.2 -96.2 167.5 36.7 62.7 33.4 117 117 X K > + 0 0 63 27,-0.3 3,-2.1 -34,-0.2 28,-0.2 0.771 57.3 157.4 72.0 35.3 33.6 64.9 33.5 118 118 X S T 3 + 0 0 20 26,-2.6 27,-0.2 -3,-0.3 -2,-0.1 0.611 64.2 70.7 -65.4 -11.9 33.5 65.1 29.7 119 119 X D T 3 S+ 0 0 59 25,-0.2 -1,-0.3 31,-0.1 2,-0.2 0.650 83.4 90.1 -74.1 -17.6 29.8 65.9 30.0 120 120 X L < - 0 0 70 -3,-2.1 3,-0.1 1,-0.1 -36,-0.0 -0.600 64.6-153.6 -84.8 143.8 30.7 69.3 31.5 121 121 X A S S+ 0 0 103 -2,-0.2 2,-1.8 1,-0.2 -1,-0.1 0.544 76.2 88.7 -92.7 -13.7 31.2 72.4 29.3 122 122 X A + 0 0 71 2,-0.0 2,-0.3 -37,-0.0 -1,-0.2 -0.283 63.6 169.1 -81.7 55.6 33.5 74.4 31.5 123 123 X R + 0 0 67 -2,-1.8 -38,-0.3 1,-0.2 3,-0.1 -0.524 21.8 161.7 -75.3 129.1 36.5 72.7 30.0 124 124 X T + 0 0 71 -40,-2.7 2,-0.7 -2,-0.3 -39,-0.2 0.468 64.7 68.8-120.8 -11.8 39.9 74.0 30.8 125 125 X V S S- 0 0 2 -41,-2.2 2,-0.2 4,-0.0 -1,-0.2 -0.938 78.0-148.4-105.5 110.0 42.0 71.0 29.7 126 126 X E >> - 0 0 108 -2,-0.7 4,-1.7 1,-0.1 3,-1.3 -0.473 21.9-116.4 -74.1 142.9 41.8 70.6 26.0 127 127 X S H 3> S+ 0 0 40 1,-0.2 4,-2.7 2,-0.2 3,-0.2 0.899 114.9 54.7 -41.9 -50.3 42.0 67.1 24.6 128 128 X R H 3> S+ 0 0 168 1,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.739 104.0 55.2 -63.7 -22.2 45.3 67.9 22.8 129 129 X Q H <> S+ 0 0 100 -3,-1.3 4,-1.5 2,-0.2 -1,-0.2 0.908 112.2 42.4 -71.5 -44.3 46.9 69.0 26.0 130 130 X A H X S+ 0 0 0 -4,-1.7 4,-2.7 -3,-0.2 5,-0.2 0.879 109.0 58.1 -70.9 -39.6 46.1 65.7 27.6 131 131 X Q H X S+ 0 0 63 -4,-2.7 4,-2.4 -5,-0.2 -1,-0.2 0.894 105.8 52.1 -55.3 -40.9 47.1 63.7 24.5 132 132 X D H X S+ 0 0 99 -4,-1.4 4,-2.0 2,-0.2 -1,-0.2 0.916 109.8 47.5 -61.1 -44.9 50.6 65.3 24.9 133 133 X L H X S+ 0 0 32 -4,-1.5 4,-1.3 2,-0.2 -2,-0.2 0.956 113.2 47.3 -63.0 -50.3 50.9 64.3 28.4 134 134 X A H X>S+ 0 0 2 -4,-2.7 5,-2.3 1,-0.2 4,-0.9 0.912 110.3 54.2 -57.7 -40.6 49.8 60.7 27.7 135 135 X R H ><5S+ 0 0 209 -4,-2.4 3,-0.8 1,-0.2 -1,-0.2 0.912 103.9 54.6 -62.5 -38.6 52.3 60.6 24.7 136 136 X S H 3<5S+ 0 0 85 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.793 113.1 43.0 -64.9 -29.7 55.1 61.6 27.0 137 137 X Y H 3<5S- 0 0 30 -4,-1.3 -1,-0.3 -3,-0.5 -2,-0.2 0.535 111.2-121.1 -87.8 -10.5 54.3 58.6 29.2 138 138 X G T <<5S+ 0 0 66 -4,-0.9 -3,-0.2 -3,-0.8 -2,-0.1 0.851 74.1 116.5 67.1 38.3 53.7 56.2 26.3 139 139 X I < - 0 0 25 -5,-2.3 -1,-0.3 -6,-0.1 -2,-0.2 -0.889 68.1 -96.0-133.0 160.0 50.2 55.5 27.4 140 140 X P - 0 0 37 0, 0.0 -27,-2.4 0, 0.0 2,-0.5 -0.466 26.4-141.6 -74.0 151.3 46.7 56.1 26.0 141 141 X Y E +e 113 0A 36 -29,-0.2 2,-0.4 -2,-0.1 -27,-0.2 -0.965 23.1 178.3-110.2 130.3 44.4 59.0 26.8 142 142 X I E -e 114 0A 23 -29,-2.6 -27,-2.1 -2,-0.5 2,-0.4 -0.997 18.8-143.3-132.1 135.9 40.7 58.4 27.3 143 143 X E E +e 115 0A 39 -2,-0.4 2,-0.3 -29,-0.2 -27,-0.2 -0.803 25.0 178.5 -98.1 143.3 37.9 60.8 28.2 144 144 X T - 0 0 0 -29,-2.4 -26,-2.6 -2,-0.4 2,-0.4 -0.905 25.7-155.6-136.3 158.3 35.0 59.6 30.4 145 145 X S > - 0 0 0 5,-2.2 4,-1.6 -2,-0.3 7,-0.3 -0.932 2.7-166.3-133.5 117.2 31.8 60.8 32.0 146 146 X A T 4 S+ 0 0 3 -2,-0.4 -1,-0.1 1,-0.2 -117,-0.1 0.726 92.6 56.7 -64.4 -23.2 30.7 58.9 35.1 147 147 X K T 4 S+ 0 0 123 1,-0.1 -1,-0.2 -119,-0.1 -119,-0.1 0.937 120.2 22.1 -73.5 -52.3 27.4 60.7 34.5 148 148 X T T 4 S- 0 0 85 2,-0.1 -2,-0.2 0, 0.0 -1,-0.1 0.516 101.4-122.2 -93.7 -6.7 26.5 59.7 31.0 149 149 X R >X + 0 0 72 -4,-1.6 3,-1.8 1,-0.3 4,-0.5 0.248 55.7 156.2 73.7 -4.7 28.7 56.5 31.0 150 150 X Q T 34 S- 0 0 87 1,-0.3 -5,-2.2 2,-0.1 -1,-0.3 -0.236 72.4 -6.6 -50.5 129.9 30.7 57.8 27.9 151 151 X G T 3> S+ 0 0 17 -7,-0.2 4,-2.4 -3,-0.1 -1,-0.3 0.365 96.8 118.6 73.1 -8.0 34.1 56.1 27.9 152 152 X V H <> S+ 0 0 0 -3,-1.8 4,-1.8 -7,-0.3 5,-0.2 0.965 81.6 37.9 -67.7 -50.9 33.8 54.4 31.2 153 153 X E H X S+ 0 0 81 -4,-0.5 4,-2.8 1,-0.2 5,-0.4 0.917 114.8 57.3 -60.9 -41.6 34.1 50.8 29.9 154 154 X D H > S+ 0 0 98 1,-0.2 4,-2.1 2,-0.2 -2,-0.2 0.863 106.6 49.9 -52.9 -43.7 36.7 52.0 27.4 155 155 X A H X S+ 0 0 0 -4,-2.4 4,-1.6 2,-0.2 -1,-0.2 0.940 115.7 38.7 -66.0 -51.7 38.8 53.3 30.2 156 156 X F H X S+ 0 0 0 -4,-1.8 4,-1.7 2,-0.2 -2,-0.2 0.904 118.5 47.4 -68.5 -41.9 38.8 50.3 32.3 157 157 X Y H X S+ 0 0 31 -4,-2.8 4,-2.7 1,-0.2 -2,-0.2 0.895 108.9 55.4 -68.5 -38.2 39.1 47.7 29.5 158 158 X T H X S+ 0 0 28 -4,-2.1 4,-1.6 -5,-0.4 -1,-0.2 0.893 105.6 52.8 -58.2 -41.7 41.9 49.7 27.9 159 159 X L H X S+ 0 0 0 -4,-1.6 4,-2.4 2,-0.2 -1,-0.2 0.906 107.3 50.5 -62.2 -41.3 43.8 49.4 31.1 160 160 X V H X S+ 0 0 0 -4,-1.7 4,-2.2 1,-0.2 -2,-0.2 0.939 109.5 53.0 -57.8 -45.4 43.3 45.6 31.1 161 161 X R H < S+ 0 0 88 -4,-2.7 4,-0.3 1,-0.2 -2,-0.2 0.795 108.0 49.8 -61.0 -31.4 44.6 45.7 27.5 162 162 X E H >X S+ 0 0 27 -4,-1.6 3,-1.2 2,-0.2 4,-0.6 0.876 108.1 52.5 -69.0 -46.7 47.7 47.7 28.7 163 163 X I H >< S+ 0 0 24 -4,-2.4 3,-1.3 1,-0.3 -2,-0.2 0.909 104.1 58.0 -56.2 -41.4 48.4 45.2 31.5 164 164 X R T 3< S+ 0 0 85 -4,-2.2 -1,-0.3 1,-0.3 -2,-0.2 0.651 104.5 52.3 -64.9 -17.6 48.2 42.4 28.9 165 165 X Q T <4 0 0 134 -3,-1.2 -1,-0.3 -4,-0.3 -2,-0.2 0.525 360.0 360.0 -87.0 -16.2 51.1 44.0 26.9 166 166 X H << 0 0 120 -3,-1.3 -57,-0.0 -4,-0.6 -3,-0.0 -0.407 360.0 360.0 -89.0 360.0 53.4 44.3 29.9