==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=28-JUN-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 26-JAN-13 4IXM . COMPND 2 MOLECULE: UNCHARACTERIZED GTP-BINDING PROTEIN YJIA; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR M.JOST,K.S.RYAN,K.E.TURO,C.L.DRENNAN . 635 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 27402.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 466 73.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 77 12.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 88 13.9 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, 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 . 4 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.3 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 . 84 13.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 51 8.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 145 22.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 0.6 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 2 0 2 4 2 2 2 2 0 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 0 4 2 2 0 3 1 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 2 0 2 4 2 2 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 2 0 0 0 2 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 M 0 0 147 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 106.4 15.0 -5.7 18.4 2 2 A N - 0 0 153 1,-0.0 3,-0.1 3,-0.0 2,-0.0 -0.850 360.0-117.1 -95.5 118.7 14.2 -2.0 18.2 3 3 A P - 0 0 63 0, 0.0 118,-0.2 0, 0.0 2,-0.2 -0.296 33.6-110.7 -55.5 127.0 17.4 0.2 17.8 4 4 A I E -a 121 0A 6 116,-2.8 118,-2.7 1,-0.1 2,-0.6 -0.405 29.1-123.3 -63.9 130.1 17.8 2.5 20.8 5 5 A A E -ab 122 93A 24 87,-2.0 89,-2.8 116,-0.2 2,-0.5 -0.662 27.3-158.1 -81.6 115.6 17.2 6.2 19.8 6 6 A V E -ab 123 94A 0 116,-2.1 118,-2.3 -2,-0.6 119,-1.2 -0.820 9.0-171.8-101.3 128.6 20.3 8.2 20.7 7 7 A T E -ab 125 95A 1 87,-3.3 89,-2.5 -2,-0.5 2,-0.6 -0.968 12.1-149.8-118.4 131.3 20.1 12.0 21.2 8 8 A L E -ab 126 96A 0 117,-2.3 119,-3.7 -2,-0.4 2,-0.7 -0.892 9.6-159.3-100.0 122.7 23.1 14.3 21.6 9 9 A L E +ab 127 97A 0 87,-2.6 89,-3.0 -2,-0.6 2,-0.2 -0.888 25.3 157.6-104.8 111.9 22.5 17.3 23.7 10 10 A T E +ab 128 98A 0 117,-3.1 119,-2.5 -2,-0.7 89,-0.3 -0.585 10.2 102.9-124.2-174.9 25.0 20.1 23.1 11 11 A G E S- b 0 99A 2 87,-0.6 89,-1.8 117,-0.2 2,-0.2 -0.331 76.7 -53.4 118.4 156.8 25.3 23.8 23.5 12 12 A F S S- 0 0 38 117,-0.5 5,-0.1 87,-0.2 119,-0.1 -0.473 70.9-100.4 -66.7 134.5 27.1 26.1 26.0 13 13 A L + 0 0 58 -2,-0.2 2,-0.3 1,-0.1 -1,-0.1 -0.091 62.0 125.9 -59.0 151.7 26.1 25.3 29.5 14 14 A G S > S- 0 0 33 -3,-0.1 4,-1.2 1,-0.0 3,-0.3 -0.891 73.7 -57.4-173.3-157.4 23.5 27.3 31.4 15 15 A A H > S+ 0 0 60 -2,-0.3 4,-1.6 1,-0.2 5,-0.2 0.724 124.5 63.5 -78.2 -22.4 20.2 27.1 33.4 16 16 A G H > S+ 0 0 18 1,-0.2 4,-0.6 2,-0.2 -1,-0.2 0.713 104.7 45.2 -74.8 -21.7 18.5 25.5 30.4 17 17 A K H > S+ 0 0 23 -3,-0.3 4,-2.2 2,-0.2 -2,-0.2 0.871 113.6 45.5 -88.9 -43.0 20.8 22.4 30.5 18 18 A T H X S+ 0 0 85 -4,-1.2 4,-2.2 2,-0.2 -2,-0.2 0.898 114.9 47.8 -69.2 -41.4 20.7 21.7 34.3 19 19 A T H X S+ 0 0 41 -4,-1.6 4,-1.1 2,-0.2 -1,-0.2 0.884 112.9 49.7 -65.3 -39.4 16.9 22.2 34.5 20 20 A L H X S+ 0 0 4 -4,-0.6 4,-1.4 -5,-0.2 -2,-0.2 0.904 113.2 45.2 -67.5 -42.7 16.4 19.9 31.5 21 21 A L H X S+ 0 0 6 -4,-2.2 4,-2.0 1,-0.2 -2,-0.2 0.864 110.6 54.3 -67.8 -36.7 18.6 17.2 32.9 22 22 A R H X>S+ 0 0 119 -4,-2.2 4,-1.0 1,-0.2 5,-0.6 0.748 108.2 50.7 -70.0 -23.9 17.0 17.5 36.3 23 23 A H H <5S+ 0 0 49 -4,-1.1 4,-0.3 3,-0.2 -1,-0.2 0.813 110.0 48.6 -81.9 -33.5 13.6 16.9 34.7 24 24 A I H <5S+ 0 0 1 -4,-1.4 -2,-0.2 1,-0.2 9,-0.2 0.890 116.8 40.8 -71.7 -40.4 14.7 13.8 32.8 25 25 A L H <5S+ 0 0 2 -4,-2.0 37,-0.4 -5,-0.1 -2,-0.2 0.772 129.9 21.6 -82.6 -27.7 16.3 12.1 35.8 26 26 A N T <5S+ 0 0 52 -4,-1.0 -3,-0.2 -5,-0.2 -2,-0.1 0.871 102.5 71.9-107.7 -60.4 13.7 13.0 38.5 27 27 A E S - 0 0 8 4,-2.6 3,-1.4 -2,-0.5 28,-0.1 -0.051 30.2 -99.4 -70.9 176.5 29.5 -3.2 34.2 52 52 A D T 3 S+ 0 0 148 1,-0.3 -1,-0.1 2,-0.1 23,-0.0 0.667 127.1 50.3 -71.8 -16.3 32.3 -5.6 33.0 53 53 A R T 3 S- 0 0 94 22,-0.2 -1,-0.3 2,-0.1 -2,-0.1 -0.090 128.0 -97.8-110.8 30.5 34.1 -2.5 31.8 54 54 A A < + 0 0 82 -3,-1.4 2,-0.5 1,-0.2 -2,-0.1 0.667 68.6 161.0 65.3 21.0 33.8 -0.7 35.1 55 55 A T - 0 0 7 20,-0.2 -4,-2.6 1,-0.1 2,-0.9 -0.619 36.9-137.8 -77.4 123.1 30.7 1.3 34.0 56 56 A Q E -E 50 0A 74 -2,-0.5 12,-1.4 -6,-0.2 2,-0.6 -0.716 25.3-174.0 -83.5 107.3 28.7 2.8 36.9 57 57 A I E -EF 49 67A 0 -8,-2.8 -8,-2.6 -2,-0.9 2,-0.5 -0.907 4.0-168.4-110.9 117.7 25.1 2.3 36.0 58 58 A K E -EF 48 66A 33 8,-3.3 8,-3.3 -2,-0.6 2,-0.4 -0.902 10.6-150.0-109.4 126.4 22.3 3.7 38.2 59 59 A T E -EF 47 65A 30 -12,-2.0 -13,-2.0 -2,-0.5 -12,-1.6 -0.794 21.2-146.9 -90.8 132.2 18.6 2.9 37.9 60 60 A L E > -E 45 0A 3 4,-3.3 3,-1.2 -2,-0.4 -15,-0.2 -0.521 21.2-115.7-100.9 166.7 16.3 5.7 39.0 61 61 A T T 3 S+ 0 0 95 -17,-1.5 -35,-0.1 1,-0.3 -16,-0.1 0.845 114.1 58.2 -68.1 -35.1 12.9 5.8 40.7 62 62 A N T 3 S- 0 0 41 -37,-0.4 -1,-0.3 -18,-0.2 -32,-0.2 0.378 123.7-103.7 -77.5 5.8 11.2 7.3 37.6 63 63 A G S < S+ 0 0 40 -3,-1.2 27,-0.3 1,-0.3 -2,-0.1 0.059 84.5 122.6 97.1 -24.3 12.4 4.3 35.6 64 64 A C - 0 0 0 -40,-0.2 -4,-3.3 -39,-0.1 2,-0.4 -0.103 55.6-128.9 -68.8 167.8 15.2 6.2 33.9 65 65 A I E -dF 34 59A 1 -32,-2.8 -30,-3.3 -6,-0.2 2,-0.5 -0.963 9.2-155.7-122.7 136.0 18.9 5.2 34.0 66 66 A C E -dF 35 58A 8 -8,-3.3 -8,-3.3 -2,-0.4 2,-0.3 -0.954 19.9-175.4-110.9 130.3 21.9 7.4 34.9 67 67 A C E -dF 36 57A 5 -32,-3.5 -30,-0.9 -2,-0.5 2,-0.2 -0.935 15.8-143.1-130.7 145.1 25.2 6.3 33.4 68 68 A S - 0 0 42 -12,-1.4 2,-0.4 -2,-0.3 -30,-0.1 -0.599 14.5-150.8 -99.6 164.5 28.9 7.5 33.7 69 69 A R - 0 0 52 -32,-0.2 4,-0.1 -2,-0.2 2,-0.1 -0.997 5.4-157.5-138.1 142.7 31.5 7.5 31.1 70 70 A S - 0 0 57 2,-0.5 527,-0.1 -2,-0.4 526,-0.1 -0.073 56.2 -75.8 -90.6-158.8 35.3 7.2 31.0 71 71 A N S S+ 0 0 18 525,-0.2 2,-0.8 1,-0.2 526,-0.1 0.727 124.4 67.2 -75.4 -21.0 37.5 8.6 28.1 72 72 A E >> - 0 0 29 1,-0.1 3,-1.2 524,-0.1 4,-0.6 -0.859 65.7-171.6-102.4 102.3 36.3 5.6 26.0 73 73 A L H 3> S+ 0 0 4 -2,-0.8 4,-1.8 1,-0.3 3,-0.3 0.729 78.4 73.3 -65.4 -23.4 32.6 6.1 25.3 74 74 A E H 3> S+ 0 0 8 1,-0.2 4,-2.4 2,-0.2 -1,-0.3 0.845 89.1 61.4 -58.6 -35.1 32.4 2.6 23.8 75 75 A D H <> S+ 0 0 43 -3,-1.2 4,-1.7 1,-0.2 -1,-0.2 0.915 106.7 42.2 -60.1 -47.4 32.7 1.1 27.3 76 76 A A H X S+ 0 0 1 -4,-0.6 4,-1.8 -3,-0.3 -1,-0.2 0.879 114.5 51.9 -67.4 -39.5 29.5 2.7 28.6 77 77 A L H X S+ 0 0 0 -4,-1.8 4,-1.2 1,-0.2 -2,-0.2 0.878 113.2 43.5 -65.4 -39.7 27.6 1.9 25.4 78 78 A L H X S+ 0 0 31 -4,-2.4 4,-1.7 2,-0.2 -1,-0.2 0.791 112.9 52.1 -78.1 -29.2 28.5 -1.8 25.4 79 79 A D H X S+ 0 0 0 -4,-1.7 4,-1.9 -5,-0.2 -2,-0.2 0.799 105.6 54.9 -75.6 -30.7 27.9 -2.1 29.1 80 80 A L H X S+ 0 0 0 -4,-1.8 4,-0.7 2,-0.2 -2,-0.2 0.874 109.9 47.6 -66.3 -38.0 24.4 -0.6 28.7 81 81 A L H X S+ 0 0 5 -4,-1.2 4,-2.5 2,-0.2 -2,-0.2 0.874 108.6 54.8 -69.3 -39.5 23.7 -3.3 26.1 82 82 A D H X S+ 0 0 48 -4,-1.7 4,-1.1 1,-0.2 -2,-0.2 0.929 112.6 40.7 -59.9 -48.2 25.0 -6.0 28.3 83 83 A N H <>S+ 0 0 14 -4,-1.9 6,-2.1 1,-0.2 5,-1.5 0.572 113.6 55.4 -80.9 -9.1 22.7 -5.2 31.2 84 84 A L H ><5S+ 0 0 37 -4,-0.7 3,-1.1 4,-0.2 -2,-0.2 0.846 108.0 47.7 -83.6 -41.5 19.9 -4.6 28.8 85 85 A D H 3<5S+ 0 0 100 -4,-2.5 -2,-0.2 1,-0.2 -3,-0.1 0.752 112.6 50.3 -68.4 -25.5 20.3 -8.1 27.3 86 86 A K T 3<5S- 0 0 108 -4,-1.1 -1,-0.2 -5,-0.2 -2,-0.2 0.318 114.3-116.8 -96.3 6.8 20.4 -9.5 30.8 87 87 A G T < 5S+ 0 0 64 -3,-1.1 -3,-0.2 2,-0.2 -2,-0.1 0.620 80.5 123.7 68.8 13.7 17.2 -7.7 31.9 88 88 A N S +b 11 0A 5 -89,-0.3 3,-1.4 2,-0.1 2,-0.6 -0.230 46.5 23.5 -87.3 177.8 27.7 20.6 26.4 100 100 A G T 3 S- 0 0 19 -89,-1.8 -89,-0.1 1,-0.2 -2,-0.0 -0.562 133.6 -12.9 73.8-115.4 30.3 23.3 27.3 101 101 A M T 3 S+ 0 0 24 -2,-0.6 -1,-0.2 519,-0.1 2,-0.1 0.330 100.1 128.9-102.9 3.7 33.5 22.8 25.3 102 102 A A < - 0 0 10 -3,-1.4 -91,-0.2 -91,-0.1 -4,-0.1 -0.374 55.5-134.6 -68.2 135.4 32.6 19.2 24.2 103 103 A D > - 0 0 44 1,-0.1 4,-0.7 -2,-0.1 -1,-0.1 -0.815 4.9-155.9 -91.6 121.7 33.0 18.4 20.5 104 104 A P H > S+ 0 0 0 0, 0.0 4,-2.3 0, 0.0 5,-0.2 0.725 81.3 80.2 -65.1 -22.9 30.0 16.5 19.2 105 105 A G H > S+ 0 0 0 1,-0.2 4,-2.0 2,-0.2 3,-0.3 0.937 91.5 40.6 -51.0 -67.8 32.2 15.1 16.4 106 106 A P H > S+ 0 0 42 0, 0.0 4,-0.9 0, 0.0 -1,-0.2 0.797 114.9 55.2 -55.2 -32.6 34.1 12.3 18.1 107 107 A I H >X S+ 0 0 11 -4,-0.7 4,-0.8 2,-0.2 3,-0.6 0.916 106.7 49.4 -67.7 -44.9 30.9 11.3 19.9 108 108 A I H >< S+ 0 0 0 -4,-2.3 3,-0.9 -3,-0.3 -1,-0.2 0.908 108.2 54.8 -57.3 -43.0 29.0 10.9 16.6 109 109 A Q H >< S+ 0 0 13 -4,-2.0 3,-1.4 1,-0.2 4,-0.4 0.727 94.7 68.8 -65.9 -23.1 31.8 8.8 15.2 110 110 A T H X< S+ 0 0 18 -4,-0.9 3,-1.0 -3,-0.6 4,-0.5 0.873 92.6 58.3 -64.1 -36.6 31.5 6.4 18.2 111 111 A F T << S+ 0 0 7 -3,-0.9 -1,-0.3 -4,-0.8 12,-0.2 0.274 111.8 40.7 -80.4 12.4 28.2 5.2 16.9 112 112 A F T < S+ 0 0 85 -3,-1.4 -1,-0.2 6,-0.0 -2,-0.2 0.301 90.5 90.2-131.9 -0.3 29.7 4.1 13.6 113 113 A S S < S+ 0 0 12 -3,-1.0 2,-0.3 -4,-0.4 -2,-0.1 0.837 93.1 25.6 -71.2 -35.7 33.0 2.6 14.9 114 114 A H S > S- 0 0 56 -4,-0.5 4,-1.3 1,-0.1 3,-0.3 -0.953 72.4-123.3-136.3 152.9 31.7 -0.9 15.3 115 115 A E H > S+ 0 0 74 -2,-0.3 4,-1.2 1,-0.2 5,-0.2 0.842 108.7 57.0 -61.9 -39.1 29.0 -3.2 13.9 116 116 A V H > S+ 0 0 62 1,-0.2 4,-2.0 2,-0.2 3,-0.3 0.883 108.4 47.1 -61.5 -38.9 27.3 -3.9 17.2 117 117 A L H > S+ 0 0 1 -3,-0.3 4,-1.5 1,-0.2 -1,-0.2 0.786 107.1 58.4 -73.6 -28.2 26.7 -0.2 17.8 118 118 A C H < S+ 0 0 64 -4,-1.3 -1,-0.2 1,-0.2 -2,-0.2 0.777 114.6 35.9 -70.3 -27.5 25.4 0.3 14.3 119 119 A Q H < S+ 0 0 129 -4,-1.2 -2,-0.2 -3,-0.3 -1,-0.2 0.789 123.2 39.1 -97.0 -33.4 22.7 -2.3 14.8 120 120 A R H < S+ 0 0 50 -4,-2.0 -116,-2.8 -5,-0.2 2,-0.3 0.757 116.4 49.3 -91.6 -28.5 21.7 -1.7 18.5 121 121 A Y E < -a 4 0A 4 -4,-1.5 2,-0.4 -5,-0.3 -116,-0.2 -0.867 61.2-168.0-113.2 147.9 22.0 2.1 18.5 122 122 A L E -a 5 0A 100 -118,-2.7 -116,-2.1 -2,-0.3 2,-0.6 -0.905 22.9-131.4-139.2 109.2 20.5 4.6 16.1 123 123 A L E -a 6 0A 11 -2,-0.4 78,-0.6 -118,-0.2 -116,-0.1 -0.417 25.1-179.7 -60.8 107.0 21.6 8.2 16.1 124 124 A D E - 0 0 14 -118,-2.3 76,-2.2 -2,-0.6 77,-0.8 0.968 52.1 -61.6 -72.0 -55.6 18.4 10.2 16.0 125 125 A G E -a 7 0A 0 -119,-1.2 -117,-2.3 75,-0.2 2,-0.6 -0.990 39.3 -93.1-179.9 170.0 19.9 13.7 16.0 126 126 A V E -a 8 0A 0 -2,-0.3 27,-3.0 25,-0.3 28,-1.3 -0.926 33.3-158.9-105.7 120.5 22.0 16.4 17.6 127 127 A I E -ag 9 154A 0 -119,-3.7 -117,-3.1 -2,-0.6 2,-0.6 -0.887 4.2-161.0-104.3 119.4 20.1 19.0 19.7 128 128 A A E -ag 10 155A 1 26,-2.3 28,-2.4 -2,-0.6 2,-0.4 -0.874 4.6-153.1-103.9 118.6 21.8 22.3 20.2 129 129 A L E - g 0 156A 16 -119,-2.5 -117,-0.5 -2,-0.6 2,-0.4 -0.748 15.3-166.7 -86.5 131.9 20.7 24.5 23.1 130 130 A V E - g 0 157A 11 26,-2.7 28,-2.8 -2,-0.4 2,-0.8 -0.979 16.8-144.0-128.2 126.8 21.2 28.3 22.5 131 131 A D E > - g 0 158A 25 -2,-0.4 4,-2.1 26,-0.2 3,-0.4 -0.780 8.8-156.0 -89.0 110.3 21.1 31.1 25.0 132 132 A A T 4 S+ 0 0 8 26,-2.4 4,-0.3 -2,-0.8 -1,-0.1 0.728 91.0 52.5 -60.1 -23.5 19.6 34.1 23.2 133 133 A V T 4 S+ 0 0 72 25,-0.2 -1,-0.2 1,-0.1 4,-0.2 0.880 124.0 21.9 -79.5 -40.0 21.3 36.5 25.7 134 134 A H T > S+ 0 0 98 -3,-0.4 4,-2.7 1,-0.1 5,-0.3 0.418 93.4 100.3-110.8 -1.4 24.9 35.2 25.4 135 135 A A H X S+ 0 0 1 -4,-2.1 4,-2.5 1,-0.2 5,-0.2 0.906 83.1 47.6 -55.5 -51.9 24.9 33.5 22.0 136 136 A D H > S+ 0 0 59 -4,-0.3 4,-1.5 1,-0.2 -1,-0.2 0.891 115.4 45.8 -58.8 -43.2 26.5 36.3 20.0 137 137 A E H > S+ 0 0 64 2,-0.2 4,-1.6 -4,-0.2 5,-0.2 0.940 113.7 47.8 -65.8 -49.4 29.3 36.7 22.6 138 138 A Q H X S+ 0 0 41 -4,-2.7 4,-2.8 1,-0.2 7,-0.3 0.878 112.9 48.9 -59.4 -41.0 30.0 33.0 23.0 139 139 A M H < S+ 0 0 6 -4,-2.5 -1,-0.2 -5,-0.3 7,-0.2 0.799 109.1 52.8 -72.6 -29.7 30.1 32.5 19.3 140 140 A N H < S+ 0 0 111 -4,-1.5 -1,-0.2 -5,-0.2 -2,-0.2 0.824 119.3 34.9 -71.0 -32.0 32.5 35.4 18.8 141 141 A Q H < S+ 0 0 50 -4,-1.6 2,-0.5 1,-0.2 -2,-0.2 0.808 118.5 46.6 -93.9 -34.8 34.9 34.1 21.3 142 142 A F >X - 0 0 23 -4,-2.8 4,-0.8 -5,-0.2 3,-0.7 -0.948 53.3-162.3-121.1 124.9 34.6 30.3 20.9 143 143 A T H >> S+ 0 0 23 -2,-0.5 4,-2.2 1,-0.2 3,-0.5 0.853 94.9 64.3 -64.0 -35.4 34.7 28.4 17.6 144 144 A I H 3> S+ 0 0 29 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.752 94.0 60.9 -63.3 -23.8 33.2 25.4 19.4 145 145 A A H <> S+ 0 0 6 -3,-0.7 4,-0.9 -7,-0.3 -1,-0.2 0.896 109.0 41.1 -70.2 -40.3 30.0 27.5 20.0 146 146 A Q H < S+ 0 0 7 -4,-0.9 3,-1.0 1,-0.2 -1,-0.2 0.885 108.6 56.4 -68.3 -40.7 25.2 24.8 16.2 150 150 A G H 3< S+ 0 0 0 -4,-2.1 -2,-0.2 1,-0.3 -1,-0.2 0.801 107.1 48.2 -61.9 -31.7 26.7 23.5 12.9 151 151 A Y T 3< S+ 0 0 2 -4,-1.8 -25,-0.3 -5,-0.1 -1,-0.3 0.608 90.7 116.2 -82.1 -13.2 26.2 19.9 14.0 152 152 A A < - 0 0 0 -3,-1.0 28,-0.4 -4,-0.5 -25,-0.2 -0.225 44.7-173.5 -68.6 143.7 22.6 20.4 15.1 153 153 A D S S+ 0 0 9 -27,-3.0 2,-0.3 1,-0.4 -26,-0.2 0.502 88.6 22.4 -98.0 -14.9 19.6 18.8 13.5 154 154 A R E S-g 127 0A 33 -28,-1.3 -26,-2.3 26,-0.2 2,-0.6 -0.955 71.2-151.7-155.3 130.7 17.5 21.0 15.7 155 155 A I E -gh 128 182A 0 26,-2.4 28,-3.1 -2,-0.3 2,-0.8 -0.920 5.4-160.1-112.6 115.9 18.2 24.3 17.4 156 156 A L E -gh 129 183A 0 -28,-2.4 -26,-2.7 -2,-0.6 2,-0.7 -0.836 8.8-161.3 -95.4 108.9 16.4 25.2 20.6 157 157 A L E +gh 130 184A 0 26,-2.3 28,-2.2 -2,-0.8 3,-0.3 -0.813 17.4 178.6 -95.5 114.7 16.6 28.9 21.2 158 158 A T E +g 131 0A 14 -28,-2.8 -26,-2.4 -2,-0.7 -25,-0.2 -0.593 50.3 38.6-113.6 171.8 15.9 29.8 24.8 159 159 A K > + 0 0 64 26,-0.3 4,-1.6 -2,-0.2 3,-0.2 0.791 65.0 137.8 59.0 32.3 15.7 33.0 27.0 160 160 A T H > + 0 0 26 25,-0.5 4,-2.1 -3,-0.3 6,-0.2 0.657 65.3 63.0 -78.0 -16.5 14.1 34.9 24.1 161 161 A D H 4 S+ 0 0 105 2,-0.2 -1,-0.2 1,-0.2 4,-0.1 0.804 111.2 36.2 -75.7 -30.7 11.8 36.5 26.7 162 162 A V H 4 S+ 0 0 79 -3,-0.2 -2,-0.2 2,-0.1 -1,-0.2 0.752 120.7 47.7 -90.7 -29.5 14.7 38.1 28.5 163 163 A A H < S- 0 0 42 -4,-1.6 2,-0.5 1,-0.2 -2,-0.2 0.904 87.4-173.3 -77.5 -44.6 16.7 38.8 25.3 164 164 A G < + 0 0 44 -4,-2.1 2,-2.4 -5,-0.1 -1,-0.2 -0.757 61.2 35.9 92.4-125.1 13.8 40.3 23.4 165 165 A E + 0 0 106 -2,-0.5 3,-0.5 1,-0.2 2,-0.3 -0.412 65.4 159.6 -68.6 77.7 14.3 41.2 19.7 166 166 A A > + 0 0 16 -2,-2.4 4,-0.9 1,-0.2 -1,-0.2 -0.233 32.0 117.1 -94.8 43.9 16.6 38.2 19.0 167 167 A E H > + 0 0 108 -2,-0.3 4,-1.4 2,-0.2 3,-0.2 0.856 69.3 57.3 -78.8 -36.9 15.9 38.4 15.2 168 168 A K H > S+ 0 0 71 -3,-0.5 4,-1.2 1,-0.2 -1,-0.2 0.729 105.3 55.0 -64.2 -21.4 19.5 39.2 14.3 169 169 A L H > S+ 0 0 3 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.827 99.3 59.0 -79.8 -35.6 20.3 35.9 16.1 170 170 A H H X S+ 0 0 54 -4,-0.9 4,-1.5 -3,-0.2 -2,-0.2 0.900 108.0 46.4 -58.7 -43.2 17.9 33.9 13.9 171 171 A E H X S+ 0 0 65 -4,-1.4 4,-2.5 2,-0.2 5,-0.2 0.912 110.3 51.6 -67.0 -44.2 19.8 35.0 10.8 172 172 A R H X S+ 0 0 0 -4,-1.2 4,-1.7 1,-0.2 -2,-0.2 0.884 110.6 49.0 -62.6 -38.8 23.2 34.2 12.3 173 173 A L H X S+ 0 0 0 -4,-2.3 4,-3.0 1,-0.2 -1,-0.2 0.852 111.1 51.6 -66.0 -34.7 22.0 30.7 13.3 174 174 A A H < S+ 0 0 26 -4,-1.5 -2,-0.2 2,-0.2 -1,-0.2 0.877 108.1 49.8 -70.5 -39.4 20.7 30.3 9.8 175 175 A R H < S+ 0 0 40 -4,-2.5 51,-2.1 1,-0.2 3,-0.2 0.861 116.4 43.3 -66.9 -36.3 23.9 31.3 8.1 176 176 A I H < S+ 0 0 0 -4,-1.7 2,-0.5 1,-0.3 -2,-0.2 0.955 131.7 18.9 -71.2 -52.9 25.8 28.8 10.3 177 177 A N < + 0 0 1 -4,-3.0 -1,-0.3 -5,-0.2 -2,-0.1 -0.933 57.5 170.3-126.7 107.7 23.3 26.0 10.0 178 178 A A S S+ 0 0 5 -2,-0.5 32,-1.3 -3,-0.2 31,-1.0 0.458 78.9 58.3 -92.8 -2.9 20.8 26.1 7.0 179 179 A R S S+ 0 0 14 29,-0.2 30,-0.3 30,-0.2 -1,-0.1 0.921 88.0 76.3 -85.3 -56.1 19.6 22.5 7.8 180 180 A A S S- 0 0 1 -28,-0.4 -26,-0.2 -31,-0.2 2,-0.1 -0.375 74.6-132.1 -71.8 128.9 18.3 22.7 11.3 181 181 A P - 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0 0 22 -2,-0.6 4,-0.5 -3,-0.1 3,-0.3 -0.826 51.9-125.4-124.0 165.1 52.3 26.2 7.4 333 15 B A S > S+ 0 0 71 -2,-0.3 4,-1.2 1,-0.2 3,-0.3 0.725 105.2 67.2 -80.0 -22.7 54.8 25.6 4.5 334 16 B G H > S+ 0 0 34 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.744 90.8 62.1 -70.4 -24.9 57.2 23.9 6.8 335 17 B K H > S+ 0 0 35 -3,-0.3 4,-2.1 2,-0.2 -1,-0.2 0.871 102.1 51.1 -68.1 -37.6 54.9 20.9 7.3 336 18 B T H > S+ 0 0 79 -4,-0.5 4,-2.1 -3,-0.3 -2,-0.2 0.892 109.8 49.5 -66.4 -41.2 55.0 20.1 3.6 337 19 B T H X S+ 0 0 62 -4,-1.2 4,-0.9 2,-0.2 -2,-0.2 0.883 111.4 49.1 -65.2 -39.7 58.8 20.1 3.5 338 20 B L H X S+ 0 0 11 -4,-1.8 4,-1.3 2,-0.2 3,-0.3 0.903 113.3 45.7 -67.7 -42.7 59.0 17.8 6.5 339 21 B L H X S+ 0 0 6 -4,-2.1 4,-2.0 1,-0.2 5,-0.2 0.853 108.9 56.1 -67.8 -36.2 56.5 15.3 5.1 340 22 B R H X>S+ 0 0 127 -4,-2.1 4,-1.0 1,-0.2 5,-0.5 0.746 106.9 52.0 -67.6 -23.1 58.3 15.4 1.7 341 23 B H H X5S+ 0 0 54 -4,-0.9 4,-0.5 -3,-0.3 -1,-0.2 0.820 109.5 47.3 -82.7 -33.9 61.5 14.5 3.5 342 24 B I H <5S+ 0 0 0 -4,-1.3 9,-0.2 1,-0.2 -2,-0.2 0.886 117.2 41.7 -72.3 -40.3 60.0 11.4 5.3 343 25 B L H <5S+ 0 0 2 -4,-2.0 37,-0.5 -5,-0.1 -2,-0.2 0.758 127.5 23.8 -82.6 -27.5 58.3 10.0 2.2 344 26 B N H <5S+ 0 0 52 -4,-1.0 -3,-0.2 -5,-0.2 -2,-0.1 0.865 103.8 68.2-107.5 -52.5 61.0 10.6 -0.4 345 27 B E S < - 0 0 9 4,-2.7 3,-1.5 -2,-0.6 28,-0.1 0.046 30.1 -96.5 -66.1 176.8 43.5 -3.7 4.0 370 52 B D T 3 S+ 0 0 122 1,-0.3 -1,-0.1 2,-0.1 23,-0.0 0.737 127.4 50.2 -67.3 -23.1 40.5 -5.7 5.2 371 53 B R T 3 S- 0 0 95 22,-0.2 -1,-0.3 2,-0.1 -2,-0.1 -0.084 127.6 -97.7-106.3 30.7 38.9 -2.5 6.4 372 54 B A < + 0 0 80 -3,-1.5 2,-0.5 1,-0.2 -2,-0.1 0.664 68.4 160.5 65.5 21.0 39.5 -0.7 3.1 373 55 B T - 0 0 8 20,-0.2 -4,-2.7 1,-0.1 2,-0.9 -0.627 37.5-136.8 -77.3 123.2 42.7 1.0 4.3 374 56 B Q E -R 368 0D 78 -2,-0.5 12,-1.4 -6,-0.2 2,-0.6 -0.709 25.7-174.4 -83.4 107.5 44.8 2.2 1.4 375 57 B I E -RS 367 385D 0 -8,-3.1 -8,-2.9 -2,-0.9 2,-0.5 -0.909 4.2-168.5-110.8 117.6 48.4 1.3 2.2 376 58 B K E -RS 366 384D 40 8,-3.2 8,-3.2 -2,-0.6 2,-0.4 -0.906 10.4-149.7-109.4 126.2 51.2 2.5 -0.1 377 59 B T E -RS 365 383D 27 -12,-1.5 -13,-2.0 -2,-0.5 -12,-1.0 -0.794 19.7-148.5 -90.9 132.0 54.8 1.2 0.2 378 60 B L E > -R 363 0D 2 4,-3.1 3,-1.2 -2,-0.4 -15,-0.2 -0.524 22.1-114.3-101.0 166.9 57.4 3.7 -0.9 379 61 B T T 3 S+ 0 0 87 -17,-2.0 -16,-0.1 1,-0.3 -35,-0.1 0.842 113.5 58.9 -68.0 -34.9 60.8 3.3 -2.5 380 62 B N T 3 S- 0 0 28 -37,-0.5 -1,-0.3 -18,-0.3 -32,-0.2 0.381 122.9-103.4 -77.3 5.8 62.7 4.6 0.5 381 63 B G S < S+ 0 0 42 -3,-1.2 27,-0.3 1,-0.3 -2,-0.1 0.055 84.9 122.2 97.2 -24.3 61.2 1.9 2.6 382 64 B C - 0 0 0 -40,-0.2 -4,-3.1 -39,-0.1 2,-0.4 -0.120 55.6-129.6 -68.8 167.7 58.6 4.1 4.3 383 65 B I E -qS 352 377D 2 -32,-2.9 -30,-3.2 -6,-0.2 2,-0.5 -0.960 8.4-155.3-122.7 136.3 54.9 3.6 4.2 384 66 B C E -qS 353 376D 9 -8,-3.2 -8,-3.2 -2,-0.4 2,-0.3 -0.958 21.0-175.7-110.7 130.0 52.1 6.1 3.2 385 67 B C E -qS 354 375D 4 -32,-3.9 -30,-0.9 -2,-0.5 2,-0.2 -0.939 15.7-143.9-130.9 144.9 48.7 5.4 4.7 386 68 B S - 0 0 40 -12,-1.4 2,-0.4 -2,-0.3 -30,-0.1 -0.578 14.0-148.7 -99.7 166.7 45.2 6.9 4.4 387 69 B R - 0 0 48 -32,-0.2 4,-0.1 -2,-0.2 2,-0.1 -0.997 5.2-157.8-138.1 142.5 42.6 7.3 7.1 388 70 B S - 0 0 54 2,-0.5 -109,-0.1 -2,-0.4 -110,-0.1 -0.081 55.5 -77.5 -90.8-159.0 38.8 7.3 7.2 389 71 B N S S+ 0 0 17 -111,-0.2 2,-0.8 1,-0.2 -110,-0.1 0.728 124.6 66.3 -75.7 -21.2 36.7 8.8 10.0 390 72 B E >> - 0 0 27 1,-0.1 3,-1.2 -112,-0.1 4,-0.6 -0.869 65.7-171.9-102.5 102.3 37.5 5.8 12.1 391 73 B L H 3> S+ 0 0 4 -2,-0.8 4,-2.1 1,-0.3 3,-0.3 0.764 79.2 73.0 -65.5 -26.1 41.3 5.8 12.8 392 74 B E H 3> S+ 0 0 4 1,-0.2 4,-2.5 2,-0.2 -1,-0.3 0.837 90.1 60.3 -55.3 -35.8 41.0 2.3 14.3 393 75 B D H <> S+ 0 0 40 -3,-1.2 4,-1.7 1,-0.2 -22,-0.2 0.922 107.7 41.8 -61.3 -47.4 40.6 0.9 10.8 394 76 B A H X S+ 0 0 1 -4,-0.6 4,-1.8 -3,-0.3 -1,-0.2 0.886 115.2 51.3 -67.4 -39.7 43.9 2.2 9.5 395 77 B L H X S+ 0 0 0 -4,-2.1 4,-1.3 1,-0.2 -2,-0.2 0.878 113.1 44.0 -65.6 -39.8 45.7 1.2 12.7 396 78 B L H X S+ 0 0 28 -4,-2.5 4,-1.7 2,-0.2 -1,-0.2 0.791 112.4 52.1 -78.0 -29.0 44.4 -2.4 12.7 397 79 B D H X S+ 0 0 0 -4,-1.7 4,-1.9 -5,-0.2 -2,-0.2 0.811 106.8 53.8 -75.6 -30.8 45.0 -2.8 9.0 398 80 B L H X S+ 0 0 0 -4,-1.8 4,-0.6 2,-0.2 -2,-0.2 0.874 110.2 47.5 -66.6 -38.2 48.6 -1.7 9.4 399 81 B L H X S+ 0 0 5 -4,-1.3 4,-2.3 2,-0.2 3,-0.2 0.877 108.9 54.3 -69.3 -39.6 49.0 -4.3 12.1 400 82 B D H X S+ 0 0 39 -4,-1.7 4,-1.0 1,-0.2 -2,-0.2 0.930 112.8 41.2 -59.9 -48.3 47.5 -7.0 10.0 401 83 B N H <>S+ 0 0 12 -4,-1.9 6,-2.0 1,-0.2 5,-1.3 0.560 112.5 56.3 -80.8 -8.8 49.9 -6.5 7.1 402 84 B L H ><5S+ 0 0 39 -4,-0.6 3,-1.1 -3,-0.2 -1,-0.2 0.844 107.0 48.7 -83.3 -41.2 52.8 -6.1 9.5 403 85 B D H 3<5S+ 0 0 101 -4,-2.3 -2,-0.2 1,-0.2 -3,-0.1 0.739 110.8 51.7 -68.1 -25.1 52.1 -9.5 11.0 404 86 B K T 3<5S- 0 0 122 -4,-1.0 -1,-0.2 -5,-0.2 -2,-0.2 0.326 113.9-116.8 -95.9 6.8 51.9 -11.0 7.5 405 87 B G T < 5S+ 0 0 63 -3,-1.1 -3,-0.2 2,-0.2 -2,-0.1 0.622 81.5 123.2 68.7 13.5 55.2 -9.5 6.4 406 88 B N S +o 329 0D 6 -89,-0.2 3,-1.4 -90,-0.1 2,-0.6 -0.226 46.9 25.7 -87.0 177.9 47.4 19.9 11.2 418 100 B G T 3 S- 0 0 18 -89,-1.6 -89,-0.1 1,-0.2 -2,-0.0 -0.575 133.5 -13.6 73.9-115.5 44.9 22.6 10.2 419 101 B M T 3 S+ 0 0 27 -2,-0.6 -1,-0.2 -117,-0.1 2,-0.1 0.355 100.0 127.5-102.9 3.4 41.6 22.2 12.1 420 102 B A < - 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