==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=7-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LIPID BINDING PROTEIN 15-AUG-02 1MGP . COMPND 2 MOLECULE: HYPOTHETICAL PROTEIN TM841; . SOURCE 2 ORGANISM_SCIENTIFIC: THERMOTOGA MARITIMA; . AUTHOR U.SCHULZE-GAHMEN,J.PELASCHIER,H.YOKOTA,R.KIM,S.-H.KIM, . 276 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12741.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 211 76.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 27 9.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 38 13.8 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 . 1 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.4 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 . 22 8.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 24 8.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 87 31.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 1.4 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 1 1 0 0 0 2 1 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 1 2 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 PARALLEL BRIDGES PER LADDER . 0 0 2 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 ANTIPARALLEL BRIDGES PER LADDER . 0 1 1 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 25 A H 0 0 123 0, 0.0 2,-0.1 0, 0.0 141,-0.1 0.000 360.0 360.0 360.0 171.8 71.6 40.3 -19.5 2 26 A X - 0 0 112 1,-0.1 2,-0.7 135,-0.0 138,-0.1 -0.427 360.0-100.1 -86.3 164.4 74.5 41.8 -17.5 3 27 A K - 0 0 129 80,-0.2 82,-2.7 -2,-0.1 83,-1.9 -0.781 43.2-171.2 -87.6 115.0 74.9 41.5 -13.7 4 28 A V E -a 86 0A 9 -2,-0.7 2,-0.4 81,-0.2 83,-0.2 -0.934 11.1-156.0-114.0 124.0 73.7 44.7 -12.1 5 29 A K E -a 87 0A 18 81,-2.5 83,-3.5 -2,-0.5 2,-0.5 -0.781 11.6-148.5 -93.5 138.3 74.1 45.5 -8.4 6 30 A I E -ab 88 24A 0 17,-1.3 19,-2.9 -2,-0.4 2,-0.4 -0.927 15.1-174.4-109.5 132.6 71.7 48.0 -6.9 7 31 A L E +ab 89 25A 0 81,-2.7 83,-2.7 -2,-0.5 2,-0.3 -0.993 7.4 174.6-129.3 130.0 72.9 50.3 -4.1 8 32 A V E -ab 90 26A 1 17,-2.4 19,-2.2 -2,-0.4 2,-0.2 -0.760 33.4-110.3-120.2 168.7 70.8 52.8 -2.1 9 33 A D E > - b 0 27A 1 81,-0.7 3,-2.3 -2,-0.3 5,-0.3 -0.595 34.6 -98.8 -98.9 167.6 72.0 54.7 0.9 10 34 A S G > S+ 0 0 0 17,-2.6 3,-1.2 1,-0.3 248,-0.3 0.659 117.8 69.4 -59.4 -17.9 70.9 54.1 4.5 11 35 A T G 3 S+ 0 0 1 1,-0.2 112,-1.8 16,-0.2 -1,-0.3 0.512 82.8 75.1 -78.1 -3.6 68.4 57.0 4.3 12 36 A A G < S- 0 0 0 -3,-2.3 -1,-0.2 110,-0.2 -2,-0.2 0.591 90.8-147.1 -80.2 -11.7 66.4 54.9 1.9 13 37 A D < - 0 0 0 -3,-1.2 -2,-0.1 -4,-0.2 -3,-0.1 0.893 21.6-160.2 44.5 50.0 65.3 52.8 4.9 14 38 A V - 0 0 1 -5,-0.3 -1,-0.1 1,-0.1 5,-0.1 -0.305 24.0-102.4 -62.8 136.3 65.2 49.7 2.7 15 39 A P >> - 0 0 1 0, 0.0 3,-1.3 0, 0.0 4,-0.6 -0.380 31.4-124.2 -58.8 136.8 63.0 46.8 4.1 16 40 A F T >4 S+ 0 0 70 1,-0.3 3,-1.2 2,-0.2 4,-0.5 0.879 108.2 52.6 -51.5 -45.2 65.4 44.2 5.5 17 41 A S T 3> S+ 0 0 69 1,-0.2 4,-2.1 2,-0.2 3,-0.4 0.716 96.1 70.3 -66.5 -20.8 64.1 41.4 3.4 18 42 A W H <> S+ 0 0 7 -3,-1.3 4,-2.5 1,-0.2 6,-0.6 0.723 81.6 72.8 -70.6 -22.2 64.6 43.4 0.2 19 43 A X H <<>S+ 0 0 81 -3,-1.2 5,-1.1 -4,-0.6 4,-0.4 0.948 112.9 25.7 -56.7 -49.4 68.4 43.2 0.4 20 44 A E H 45S+ 0 0 180 -4,-0.5 3,-0.3 -3,-0.4 -2,-0.2 0.894 120.9 56.5 -81.3 -42.5 68.3 39.5 -0.6 21 45 A K H <5S+ 0 0 135 -4,-2.1 -2,-0.2 1,-0.2 -3,-0.2 0.856 127.6 16.1 -58.7 -39.6 65.0 39.5 -2.5 22 46 A Y T <5S- 0 0 30 -4,-2.5 -1,-0.2 -5,-0.1 -2,-0.2 0.254 103.1-115.6-119.8 11.8 66.1 42.3 -5.0 23 47 A D T 5 + 0 0 45 -4,-0.4 -17,-1.3 -3,-0.3 2,-0.5 0.960 59.2 158.2 49.4 58.6 69.9 42.2 -4.4 24 48 A I E < -b 6 0A 0 -5,-1.1 -17,-0.2 -6,-0.6 -1,-0.2 -0.964 24.4-161.0-115.6 117.6 69.8 45.8 -3.1 25 49 A D E -b 7 0A 20 -19,-2.9 -17,-2.4 -2,-0.5 2,-0.4 -0.589 7.7-141.5 -94.8 160.6 72.7 46.8 -0.9 26 50 A S E -b 8 0A 3 -19,-0.2 -17,-0.2 -2,-0.2 17,-0.2 -0.986 3.1-151.2-128.2 125.4 72.7 49.8 1.5 27 51 A I E -b 9 0A 2 -19,-2.2 -17,-2.6 -2,-0.4 -16,-0.2 -0.842 26.1-122.4 -97.8 122.7 75.6 52.1 2.2 28 52 A P - 0 0 9 0, 0.0 2,-0.2 0, 0.0 14,-0.1 -0.345 18.6-161.9 -65.8 136.6 75.6 53.7 5.7 29 53 A L - 0 0 3 12,-0.3 12,-2.4 38,-0.1 2,-0.3 -0.477 32.0-109.2 -98.4-179.6 75.6 57.4 6.2 30 54 A Y E -DE 40 65B 60 35,-2.8 35,-2.0 10,-0.2 2,-0.5 -0.851 15.5-151.4-122.2 156.8 76.7 58.5 9.7 31 55 A V E -DE 39 64B 0 8,-2.3 8,-2.3 -2,-0.3 2,-0.5 -0.989 19.4-166.7-118.3 123.2 75.3 59.9 12.9 32 56 A V E -DE 38 63B 49 31,-2.8 31,-2.7 -2,-0.5 6,-0.2 -0.962 8.8-146.7-118.8 119.8 77.8 62.0 14.8 33 57 A W > - 0 0 11 4,-2.8 3,-2.0 -2,-0.5 28,-0.0 -0.341 29.0-108.0 -77.1 161.7 77.0 62.9 18.4 34 58 A E T 3 S+ 0 0 167 1,-0.3 -1,-0.1 2,-0.1 27,-0.0 0.775 118.2 63.5 -63.8 -22.9 78.2 66.2 19.9 35 59 A D T 3 S- 0 0 101 2,-0.1 -1,-0.3 1,-0.1 3,-0.1 0.418 123.4-104.4 -80.3 3.7 80.8 64.4 22.0 36 60 A G S < S+ 0 0 52 -3,-2.0 -2,-0.1 1,-0.3 -1,-0.1 0.214 73.4 143.3 95.9 -16.4 82.4 63.3 18.8 37 61 A R - 0 0 120 -5,-0.1 -4,-2.8 1,-0.0 2,-0.4 -0.358 32.4-161.0 -61.0 134.4 81.2 59.7 18.8 38 62 A S E -D 32 0B 77 -6,-0.2 -6,-0.2 -3,-0.1 -1,-0.0 -0.951 10.9-179.4-121.9 138.6 80.4 58.5 15.3 39 63 A E E -D 31 0B 23 -8,-2.3 -8,-2.3 -2,-0.4 2,-0.1 -0.998 25.2-121.2-142.0 137.4 78.3 55.6 14.3 40 64 A P E -D 30 0B 53 0, 0.0 2,-1.3 0, 0.0 -10,-0.2 -0.444 22.1-126.4 -74.0 145.9 77.3 54.0 10.9 41 65 A D + 0 0 0 -12,-2.4 -12,-0.3 -2,-0.1 2,-0.3 -0.729 41.1 177.4 -93.2 84.2 73.6 53.8 10.0 42 66 A E - 0 0 65 -2,-1.3 2,-2.0 -14,-0.1 217,-0.2 -0.674 38.7-117.1 -91.5 145.6 73.5 50.0 9.2 43 67 A R + 0 0 11 -2,-0.3 -1,-0.1 -17,-0.2 -2,-0.0 -0.543 66.3 133.2 -82.1 76.0 70.3 48.3 8.2 44 68 A E > - 0 0 81 -2,-2.0 4,-2.4 1,-0.2 5,-0.3 -0.997 53.1-142.1-127.7 124.8 70.2 45.9 11.2 45 69 A P H > S+ 0 0 55 0, 0.0 4,-2.4 0, 0.0 5,-0.2 0.927 100.2 42.2 -49.9 -58.2 66.9 45.5 13.1 46 70 A E H > S+ 0 0 111 1,-0.2 4,-2.1 2,-0.2 5,-0.1 0.850 113.9 52.4 -62.4 -36.3 68.4 45.2 16.6 47 71 A E H > S+ 0 0 70 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.897 110.2 47.1 -68.1 -40.7 70.9 48.0 16.0 48 72 A I H X S+ 0 0 1 -4,-2.4 4,-2.1 2,-0.2 -2,-0.2 0.925 112.2 50.9 -66.3 -42.5 68.2 50.4 14.8 49 73 A X H X S+ 0 0 138 -4,-2.4 4,-1.4 -5,-0.3 -2,-0.2 0.880 109.4 50.6 -61.3 -38.1 66.0 49.5 17.8 50 74 A N H X S+ 0 0 90 -4,-2.1 4,-1.9 1,-0.2 -1,-0.2 0.883 109.0 52.4 -66.3 -38.6 69.0 50.2 20.1 51 75 A F H X S+ 0 0 0 -4,-2.1 4,-2.9 1,-0.2 5,-0.3 0.862 101.9 59.8 -66.1 -36.6 69.5 53.6 18.4 52 76 A Y H X S+ 0 0 6 -4,-2.1 4,-2.0 1,-0.2 -1,-0.2 0.937 107.0 46.0 -57.6 -46.2 65.8 54.4 19.0 53 77 A K H X S+ 0 0 118 -4,-1.4 4,-2.0 1,-0.2 -1,-0.2 0.936 114.3 48.8 -62.5 -45.4 66.3 54.1 22.8 54 78 A R H X S+ 0 0 72 -4,-1.9 4,-1.6 1,-0.2 -2,-0.2 0.872 112.1 45.3 -66.0 -39.0 69.5 56.1 22.7 55 79 A I H < S+ 0 0 3 -4,-2.9 -1,-0.2 2,-0.2 -2,-0.2 0.875 112.4 53.1 -73.9 -33.0 68.2 59.0 20.7 56 80 A R H < S+ 0 0 121 -4,-2.0 -2,-0.2 -5,-0.3 -1,-0.2 0.895 117.6 37.1 -64.8 -39.5 65.1 59.2 22.8 57 81 A E H < S+ 0 0 129 -4,-2.0 -2,-0.2 -5,-0.2 -1,-0.2 0.664 92.3 114.1 -87.7 -17.9 67.1 59.3 26.0 58 82 A A < - 0 0 38 -4,-1.6 -3,-0.0 -5,-0.2 3,-0.0 -0.115 66.8-134.5 -56.9 149.8 70.0 61.5 24.7 59 83 A G S S+ 0 0 91 2,-0.0 2,-0.3 0, 0.0 -1,-0.1 0.546 88.7 24.0 -81.3 -8.2 70.6 65.0 26.1 60 84 A S S S- 0 0 31 -5,-0.1 -2,-0.1 0, 0.0 -27,-0.0 -0.941 82.3-107.3-148.6 168.4 71.1 66.3 22.6 61 85 A V - 0 0 39 -2,-0.3 -6,-0.0 -28,-0.0 202,-0.0 -0.903 38.9-133.7-102.7 122.8 70.2 65.6 19.0 62 86 A P - 0 0 4 0, 0.0 -29,-0.2 0, 0.0 2,-0.2 -0.074 14.0-120.5 -68.7 172.5 73.2 64.3 16.9 63 87 A K E -E 32 0B 105 -31,-2.7 -31,-2.8 201,-0.0 2,-0.3 -0.626 22.7-138.8-106.5 169.8 74.2 65.5 13.4 64 88 A T E -E 31 0B 28 -33,-0.3 2,-0.3 -2,-0.2 -33,-0.2 -0.866 12.5-164.2-128.2 162.7 74.4 63.4 10.3 65 89 A S E -E 30 0B 53 -35,-2.0 -35,-2.8 -2,-0.3 3,-0.1 -0.998 23.3-109.3-150.6 148.7 76.8 63.1 7.4 66 90 A Q - 0 0 85 -2,-0.3 2,-0.1 -37,-0.2 -36,-0.1 -0.085 49.9 -87.3 -64.4 166.8 77.0 61.6 3.9 67 91 A P - 0 0 0 0, 0.0 -1,-0.1 0, 0.0 -38,-0.1 -0.437 50.3-106.9 -74.3 158.6 79.2 58.6 3.2 68 92 A S > - 0 0 45 1,-0.1 4,-1.6 -3,-0.1 5,-0.1 -0.380 22.6-113.7 -80.3 165.8 82.7 59.5 2.2 69 93 A V H > S+ 0 0 41 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.907 121.2 56.4 -63.1 -40.4 83.9 59.1 -1.4 70 94 A E H > S+ 0 0 148 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.884 102.3 54.9 -57.8 -41.8 86.2 56.4 -0.0 71 95 A D H > S+ 0 0 36 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.917 110.9 45.0 -59.2 -44.7 83.1 54.5 1.3 72 96 A F H X S+ 0 0 0 -4,-1.6 4,-2.5 2,-0.2 -2,-0.2 0.943 111.5 51.5 -65.1 -47.7 81.5 54.6 -2.1 73 97 A K H X S+ 0 0 64 -4,-2.8 4,-2.5 1,-0.2 5,-0.3 0.912 106.7 55.2 -55.4 -44.6 84.7 53.5 -3.9 74 98 A K H X S+ 0 0 106 -4,-2.6 4,-2.2 1,-0.2 -1,-0.2 0.922 109.9 46.2 -53.9 -48.7 85.1 50.6 -1.5 75 99 A R H X S+ 0 0 34 -4,-1.7 4,-2.4 1,-0.2 -1,-0.2 0.929 110.8 51.9 -61.1 -48.1 81.6 49.3 -2.4 76 100 A Y H X S+ 0 0 0 -4,-2.5 4,-1.7 1,-0.2 -1,-0.2 0.876 111.9 46.3 -58.2 -40.5 82.1 49.8 -6.2 77 101 A L H X S+ 0 0 68 -4,-2.5 4,-2.4 2,-0.2 -1,-0.2 0.887 109.4 55.2 -69.9 -38.6 85.3 47.7 -6.1 78 102 A K H X S+ 0 0 84 -4,-2.2 4,-0.8 -5,-0.3 -2,-0.2 0.919 108.5 47.8 -59.4 -45.0 83.7 45.1 -3.9 79 103 A Y H <>S+ 0 0 0 -4,-2.4 5,-2.4 2,-0.2 3,-0.4 0.882 108.9 53.9 -65.6 -37.2 80.9 44.6 -6.5 80 104 A K H ><5S+ 0 0 91 -4,-1.7 3,-1.8 1,-0.3 -1,-0.2 0.939 108.7 49.1 -60.9 -45.5 83.5 44.5 -9.3 81 105 A E H 3<5S+ 0 0 160 -4,-2.4 -1,-0.3 1,-0.3 -2,-0.2 0.666 104.3 59.8 -67.6 -16.5 85.2 41.7 -7.5 82 106 A E T 3<5S- 0 0 85 -4,-0.8 -1,-0.3 -3,-0.4 -2,-0.2 0.230 123.1-108.6 -93.8 12.8 81.9 39.9 -7.0 83 107 A D T < 5 + 0 0 128 -3,-1.8 -80,-0.2 1,-0.2 -3,-0.2 0.652 64.8 154.1 70.3 21.4 81.7 39.9 -10.8 84 108 A Y < - 0 0 41 -5,-2.4 -1,-0.2 1,-0.1 -80,-0.2 -0.521 34.2-155.6 -75.9 148.2 79.0 42.5 -11.3 85 109 A D S S+ 0 0 75 -82,-2.7 2,-0.3 1,-0.3 -81,-0.2 0.779 73.8 13.3 -93.3 -32.6 79.1 44.3 -14.7 86 110 A V E -a 4 0A 6 -83,-1.9 -81,-2.5 26,-0.1 2,-0.4 -0.963 61.9-144.1-142.9 157.1 77.4 47.5 -13.6 87 111 A V E -ac 5 114A 0 26,-2.0 28,-2.7 -2,-0.3 2,-0.6 -0.995 9.6-160.8-125.3 125.9 76.3 49.2 -10.4 88 112 A L E -ac 6 115A 0 -83,-3.5 -81,-2.7 -2,-0.4 2,-0.5 -0.939 12.7-168.0-109.5 112.6 73.1 51.2 -10.2 89 113 A V E -ac 7 116A 1 26,-3.3 28,-3.4 -2,-0.6 2,-0.5 -0.887 9.3-170.5-106.2 128.0 73.1 53.6 -7.3 90 114 A L E -ac 8 117A 0 -83,-2.7 -81,-0.7 -2,-0.5 2,-0.2 -0.967 14.7-174.2-116.8 115.6 69.9 55.5 -6.1 91 115 A T E - c 0 118A 1 26,-2.3 28,-1.8 -2,-0.5 30,-0.4 -0.691 28.9 -96.9-108.5 162.9 70.6 58.2 -3.6 92 116 A L S S- 0 0 11 -2,-0.2 8,-0.3 1,-0.2 30,-0.2 -0.264 72.6 -49.9 -69.4 164.4 68.3 60.4 -1.5 93 117 A S >> - 0 0 0 28,-3.0 3,-1.6 1,-0.2 4,-1.1 0.039 41.4-140.5 -38.1 130.2 67.6 64.0 -2.8 94 118 A S T 34 S+ 0 0 41 1,-0.3 -1,-0.2 2,-0.2 7,-0.1 0.672 104.6 62.1 -68.5 -16.0 70.6 66.0 -3.8 95 119 A K T 34 S+ 0 0 111 96,-0.2 -1,-0.3 1,-0.2 -2,-0.1 0.580 107.8 41.9 -84.8 -10.3 68.8 68.9 -2.2 96 120 A L T <4 S+ 0 0 17 -3,-1.6 2,-0.3 1,-0.3 -2,-0.2 0.598 124.6 9.4-109.1 -17.8 68.9 67.2 1.2 97 121 A S < - 0 0 16 -4,-1.1 3,-0.5 -5,-0.1 4,-0.3 -0.993 59.6-123.0-160.2 160.0 72.4 65.8 1.2 98 122 A G S > S+ 0 0 19 -2,-0.3 4,-2.1 1,-0.2 5,-0.2 0.320 84.9 103.8 -88.8 8.6 75.7 65.7 -0.5 99 123 A T H > S+ 0 0 0 -6,-0.2 4,-2.5 1,-0.2 5,-0.2 0.903 75.5 52.9 -56.6 -45.4 75.4 61.9 -0.8 100 124 A Y H > S+ 0 0 63 -3,-0.5 4,-2.3 -8,-0.3 -1,-0.2 0.952 110.8 45.8 -56.3 -53.2 74.5 62.1 -4.5 101 125 A N H > S+ 0 0 107 -4,-0.3 4,-2.4 1,-0.2 -1,-0.2 0.857 112.1 52.9 -59.8 -35.4 77.6 64.2 -5.4 102 126 A S H X S+ 0 0 5 -4,-2.1 4,-2.2 2,-0.2 -1,-0.2 0.909 109.4 47.9 -66.6 -41.5 79.7 61.9 -3.3 103 127 A A H X S+ 0 0 0 -4,-2.5 4,-1.8 2,-0.2 -2,-0.2 0.877 112.8 49.3 -65.7 -39.1 78.5 58.8 -5.2 104 128 A V H X S+ 0 0 39 -4,-2.3 4,-0.8 -5,-0.2 -2,-0.2 0.922 110.7 49.0 -66.0 -46.9 79.0 60.5 -8.5 105 129 A L H >X S+ 0 0 78 -4,-2.4 3,-1.0 1,-0.2 4,-0.6 0.926 112.2 48.5 -59.7 -47.1 82.6 61.6 -7.7 106 130 A A H >X S+ 0 0 0 -4,-2.2 3,-1.2 1,-0.2 4,-0.6 0.868 103.4 62.1 -61.7 -37.5 83.5 58.1 -6.5 107 131 A S H 3< S+ 0 0 26 -4,-1.8 3,-0.4 1,-0.2 -1,-0.2 0.745 97.2 60.1 -61.6 -23.4 82.0 56.6 -9.7 108 132 A K H << S+ 0 0 159 -3,-1.0 -1,-0.2 -4,-0.8 -2,-0.2 0.734 103.6 48.8 -76.5 -24.7 84.6 58.5 -11.7 109 133 A E H << S+ 0 0 103 -3,-1.2 2,-0.3 -4,-0.6 -1,-0.2 0.489 97.7 79.7 -96.4 -3.7 87.6 56.8 -10.1 110 134 A V S < S- 0 0 18 -4,-0.6 4,-0.1 -3,-0.4 -37,-0.0 -0.718 73.2-130.1-108.2 156.8 86.6 53.2 -10.3 111 135 A D S S+ 0 0 130 -2,-0.3 -1,-0.1 2,-0.1 3,-0.1 0.914 82.3 82.6 -67.3 -46.8 86.7 50.6 -13.1 112 136 A I S S- 0 0 6 1,-0.1 2,-0.2 -36,-0.1 -2,-0.2 -0.315 91.5-104.8 -65.1 139.3 83.2 49.3 -12.9 113 137 A P - 0 0 64 0, 0.0 -26,-2.0 0, 0.0 2,-0.4 -0.471 41.4-169.2 -64.3 131.9 80.4 51.3 -14.7 114 138 A V E -c 87 0A 22 -7,-0.2 2,-0.5 -28,-0.2 -26,-0.2 -0.986 11.3-166.5-130.0 123.4 78.4 53.2 -12.1 115 139 A Y E -c 88 0A 83 -28,-2.7 -26,-3.3 -2,-0.4 2,-0.5 -0.943 9.6-160.9-109.6 124.4 75.1 55.0 -12.8 116 140 A V E -c 89 0A 26 -2,-0.5 2,-0.5 -28,-0.2 -26,-0.2 -0.919 1.1-161.6-111.4 126.7 73.9 57.3 -10.0 117 141 A V E -c 90 0A 33 -28,-3.4 -26,-2.3 -2,-0.5 2,-1.2 -0.918 13.8-145.6-109.3 123.3 70.3 58.4 -9.8 118 142 A D E -c 91 0A 36 -2,-0.5 -26,-0.1 1,-0.2 -25,-0.1 -0.767 16.6-171.2 -84.9 99.6 69.2 61.4 -7.8 119 143 A T - 0 0 14 -28,-1.8 -1,-0.2 -2,-1.2 -27,-0.1 0.722 21.9-142.5 -66.5 -20.7 65.9 60.2 -6.7 120 144 A L S S+ 0 0 38 -29,-0.3 71,-0.7 1,-0.3 2,-0.2 0.795 71.5 94.4 59.8 27.7 64.9 63.6 -5.2 121 145 A L - 0 0 17 -30,-0.4 -28,-3.0 69,-0.1 2,-0.3 -0.692 59.4-150.7-133.9-174.4 63.3 61.5 -2.5 122 146 A A > - 0 0 8 -30,-0.2 3,-1.4 -2,-0.2 -110,-0.2 -0.982 50.7 -0.2-159.2 162.2 64.1 60.1 1.0 123 147 A S G > S- 0 0 12 -112,-1.8 3,-2.3 -2,-0.3 -112,-0.1 -0.097 122.0 -1.9 53.1-150.1 63.3 57.3 3.3 124 148 A G G 3 S+ 0 0 1 1,-0.3 4,-0.3 2,-0.2 -1,-0.2 0.472 122.8 69.6 -49.4 -10.3 60.8 54.6 2.2 125 149 A A G X S+ 0 0 1 -3,-1.4 3,-0.8 1,-0.1 -1,-0.3 0.819 89.9 64.1 -79.7 -28.8 60.1 56.2 -1.1 126 150 A I T <> S+ 0 0 0 -3,-2.3 4,-1.2 1,-0.2 -2,-0.2 0.876 92.5 57.7 -63.6 -41.8 63.6 55.4 -2.4 127 151 A P H 3> S+ 0 0 1 0, 0.0 4,-2.4 0, 0.0 -1,-0.2 0.740 95.0 72.0 -63.3 -18.8 63.3 51.6 -2.4 128 152 A L H <> S+ 0 0 0 -3,-0.8 4,-2.1 -4,-0.3 -2,-0.2 0.959 101.7 37.1 -62.3 -56.3 60.3 51.8 -4.7 129 153 A P H > S+ 0 0 8 0, 0.0 4,-1.9 0, 0.0 -1,-0.2 0.812 114.0 60.7 -67.8 -23.7 62.1 52.9 -7.9 130 154 A A H X S+ 0 0 0 -4,-1.2 4,-1.8 2,-0.2 -2,-0.2 0.916 107.4 43.1 -66.0 -43.7 65.0 50.5 -6.8 131 155 A R H X S+ 0 0 2 -4,-2.4 4,-2.7 2,-0.2 5,-0.2 0.889 111.6 54.1 -68.8 -39.4 62.6 47.5 -6.9 132 156 A V H X S+ 0 0 8 -4,-2.1 4,-2.2 1,-0.2 -1,-0.2 0.872 107.3 52.8 -61.4 -35.7 61.1 48.7 -10.2 133 157 A A H X S+ 0 0 0 -4,-1.9 4,-2.5 2,-0.2 -1,-0.2 0.922 110.2 46.7 -65.8 -43.7 64.6 48.8 -11.6 134 158 A R H X S+ 0 0 20 -4,-1.8 4,-2.8 2,-0.2 -2,-0.2 0.908 111.1 51.3 -65.2 -42.9 65.3 45.2 -10.5 135 159 A E H X S+ 0 0 58 -4,-2.7 4,-1.2 1,-0.2 -1,-0.2 0.925 113.4 45.5 -60.5 -43.9 62.0 44.0 -11.9 136 160 A X H <>S+ 0 0 42 -4,-2.2 5,-2.4 -5,-0.2 3,-0.2 0.899 112.6 49.9 -66.6 -41.6 62.8 45.7 -15.2 137 161 A L H ><5S+ 0 0 14 -4,-2.5 3,-2.0 1,-0.2 -2,-0.2 0.919 107.5 54.7 -62.3 -44.2 66.4 44.4 -15.3 138 162 A E H 3<5S+ 0 0 141 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.791 103.4 55.9 -60.4 -30.0 65.1 40.8 -14.6 139 163 A N T 3<5S- 0 0 143 -4,-1.2 -1,-0.3 -3,-0.2 -2,-0.2 0.186 131.3 -93.4 -88.8 17.3 62.8 41.0 -17.6 140 164 A G T < 5S+ 0 0 49 -3,-2.0 -3,-0.2 1,-0.2 -2,-0.2 0.576 72.4 153.9 86.8 11.1 65.8 41.9 -19.8 141 165 A A < - 0 0 19 -5,-2.4 -1,-0.2 -6,-0.1 2,-0.2 -0.440 39.2-126.8 -73.9 147.0 65.7 45.7 -19.7 142 166 A T > - 0 0 57 -2,-0.1 4,-2.6 1,-0.1 3,-0.3 -0.508 23.3-109.1 -88.6 161.5 69.0 47.5 -20.3 143 167 A I H > S+ 0 0 3 1,-0.2 4,-3.0 2,-0.2 5,-0.3 0.906 120.2 54.3 -54.7 -44.7 70.3 50.2 -17.9 144 168 A E H > S+ 0 0 104 1,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.877 110.7 45.3 -57.6 -41.4 69.5 52.9 -20.5 145 169 A E H > S+ 0 0 94 -3,-0.3 4,-2.6 2,-0.2 -1,-0.2 0.886 112.3 51.4 -71.3 -39.8 65.9 51.7 -20.7 146 170 A V H X S+ 0 0 0 -4,-2.6 4,-2.6 1,-0.2 5,-0.3 0.956 110.9 47.1 -61.6 -50.7 65.6 51.5 -16.9 147 171 A L H X S+ 0 0 50 -4,-3.0 4,-1.4 1,-0.2 -1,-0.2 0.836 111.9 53.6 -59.9 -32.6 66.9 55.0 -16.5 148 172 A K H X S+ 0 0 145 -4,-1.4 4,-1.5 -5,-0.3 -2,-0.2 0.960 111.0 43.0 -66.5 -53.3 64.5 56.2 -19.2 149 173 A K H X S+ 0 0 99 -4,-2.6 4,-2.9 1,-0.2 5,-0.2 0.897 111.3 54.0 -61.0 -43.7 61.4 54.7 -17.6 150 174 A L H X S+ 0 0 13 -4,-2.6 4,-2.5 1,-0.2 -1,-0.2 0.877 105.9 55.2 -59.3 -36.1 62.3 55.8 -14.1 151 175 A D H X S+ 0 0 99 -4,-1.4 4,-1.9 -5,-0.3 -1,-0.2 0.895 109.7 45.7 -63.5 -40.4 62.6 59.3 -15.6 152 176 A E H X S+ 0 0 96 -4,-1.5 4,-2.1 2,-0.2 -2,-0.2 0.938 110.5 52.2 -67.5 -48.3 59.0 59.1 -16.9 153 177 A R H <>S+ 0 0 41 -4,-2.9 5,-2.7 1,-0.2 6,-0.3 0.907 110.6 50.0 -54.1 -42.2 57.7 57.7 -13.6 154 178 A X H ><5S+ 0 0 94 -4,-2.5 3,-1.7 1,-0.2 -1,-0.2 0.905 106.6 54.2 -63.4 -42.5 59.3 60.7 -11.9 155 179 A K H 3<5S+ 0 0 169 -4,-1.9 -1,-0.2 1,-0.3 -2,-0.2 0.866 110.8 46.4 -60.4 -36.5 57.7 63.1 -14.4 156 180 A N T 3<5S- 0 0 87 -4,-2.1 -1,-0.3 -5,-0.1 -2,-0.2 0.308 112.9-120.8 -89.2 9.8 54.3 61.6 -13.5 157 181 A K T < 5 + 0 0 116 -3,-1.7 -3,-0.2 -5,-0.2 -2,-0.1 0.867 58.2 154.3 53.1 42.2 55.1 61.8 -9.8 158 182 A D < + 0 0 28 -5,-2.7 118,-2.9 -6,-0.1 2,-0.5 0.679 57.7 60.1 -73.5 -19.1 54.6 58.0 -9.5 159 183 A F E S-F 275 0C 23 -6,-0.3 2,-0.3 116,-0.2 116,-0.2 -0.956 72.6-178.9-115.0 119.9 56.8 57.7 -6.4 160 184 A K E -F 274 0C 21 114,-3.0 114,-2.9 -2,-0.5 2,-0.5 -0.881 23.5-159.0-123.3 152.1 55.8 59.7 -3.4 161 185 A A E +F 273 0C 8 27,-0.3 27,-1.9 -2,-0.3 2,-0.4 -0.946 24.6 164.4-128.4 106.4 57.1 60.4 0.1 162 186 A I E +FG 272 187C 6 110,-2.0 110,-2.7 -2,-0.5 2,-0.3 -0.989 10.8 138.9-127.8 132.2 54.4 61.6 2.6 163 187 A F E -FG 271 186C 19 23,-2.5 23,-3.7 -2,-0.4 2,-0.3 -0.972 34.9-134.9-160.9 171.9 54.7 61.7 6.4 164 188 A Y E -FG 270 185C 0 106,-2.6 106,-2.0 -2,-0.3 2,-0.3 -0.977 15.1-147.1-137.5 150.4 54.1 63.5 9.6 165 189 A V E - 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0 0 144 1,-0.3 3,-0.1 20,-0.0 0, 0.0 -0.263 360.0 -9.0 -58.0 123.4 50.4 69.7 22.7 181 213 A K T 3 S+ 0 0 125 1,-0.2 20,-2.8 19,-0.1 -1,-0.3 0.542 93.5 151.6 66.7 12.0 49.5 66.8 20.5 182 214 A I E < - H 0 200C 29 -3,-1.9 2,-0.4 18,-0.2 18,-0.2 -0.450 27.3-163.8 -73.7 143.9 50.3 68.8 17.3 183 215 A R E - H 0 199C 26 16,-3.2 16,-2.7 -2,-0.1 2,-0.5 -0.997 8.2-148.5-132.0 127.7 51.4 66.9 14.2 184 216 A V E -GH 165 198C 10 -19,-1.4 -19,-2.2 -2,-0.4 2,-0.4 -0.859 12.5-152.6 -99.5 124.4 53.1 68.4 11.2 185 217 A C E +GH 164 197C 0 12,-3.5 11,-2.7 -2,-0.5 12,-1.3 -0.809 20.1 172.3 -98.3 134.0 52.4 66.8 7.9 186 218 A L E -GH 163 195C 0 -23,-3.7 -23,-2.5 -2,-0.4 2,-0.3 -0.878 15.8-169.1-135.4 167.0 55.0 67.0 5.1 187 219 A H E -GH 162 194C 20 7,-1.3 7,-2.9 -2,-0.3 2,-0.6 -0.969 30.5-109.5-150.3 157.1 55.7 65.6 1.6 188 220 A I E + H 0 193C 20 -27,-1.9 2,-0.4 -2,-0.3 -27,-0.3 -0.830 35.8 177.8 -95.9 125.6 58.7 65.8 -0.7 189 221 A E E > S- H 0 192C 94 3,-2.4 3,-1.7 -2,-0.6 -2,-0.0 -0.988 70.6 -13.4-130.4 123.1 58.3 67.9 -3.7 190 222 A N T 3 S- 0 0 125 -2,-0.4 -1,-0.1 1,-0.3 -70,-0.1 0.892 129.8 -54.8 54.9 40.3 61.0 68.5 -6.3 191 223 A G T 3 S+ 0 0 1 -71,-0.7 2,-0.3 1,-0.2 -1,-0.3 0.516 116.0 108.7 74.7 6.2 63.4 67.0 -3.7 192 224 A E E < S-H 189 0C 107 -3,-1.7 -3,-2.4 -72,-0.1 2,-0.6 -0.875 73.8-111.1-118.2 151.0 62.6 69.3 -0.9 193 225 A L E -H 188 0C 24 -17,-0.5 -5,-0.2 -2,-0.3 -7,-0.0 -0.672 35.0-167.9 -80.1 117.7 60.7 68.8 2.4 194 226 A I E -H 187 0C 50 -7,-2.9 -7,-1.3 -2,-0.6 2,-0.4 -0.881 12.7-152.3-114.8 106.4 57.4 70.7 2.2 195 227 A P E +H 186 0C 58 0, 0.0 -9,-0.3 0, 0.0 3,-0.1 -0.594 24.3 166.6 -71.5 126.5 55.3 71.1 5.4 196 228 A Y E + 0 0 59 -11,-2.7 2,-0.3 -2,-0.4 -10,-0.2 0.499 53.0 14.4-121.6 -5.2 51.7 71.4 4.2 197 229 A R E -H 185 0C 104 -12,-1.3 -12,-3.5 2,-0.0 2,-0.4 -0.961 47.3-150.6-170.3 149.8 49.6 71.0 7.3 198 230 A K E +H 184 0C 145 -2,-0.3 2,-0.3 -14,-0.2 -14,-0.2 -0.991 29.0 164.5-124.4 128.0 49.4 71.0 11.1 199 231 A V E -H 183 0C 11 -16,-2.7 -16,-3.2 -2,-0.4 2,-0.6 -0.871 36.8-108.7-137.7 170.4 46.8 68.9 12.9 200 232 A R E S+H 182 0C 139 -2,-0.3 4,-0.4 -18,-0.2 -18,-0.2 -0.906 79.2 2.2-106.5 121.1 46.0 67.5 16.4 201 233 A G S > S- 0 0 23 -20,-2.8 4,-1.4 -2,-0.6 -18,-0.1 0.154 81.5 -89.0 89.3 153.4 46.4 63.8 16.9 202 234 A D H > S+ 0 0 52 1,-0.2 4,-3.4 2,-0.2 5,-0.2 0.828 118.3 62.5 -68.9 -35.5 47.6 60.9 14.8 203 235 A K H > S+ 0 0 146 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.929 109.3 41.3 -58.0 -45.3 44.1 60.0 13.4 204 236 A K H > S+ 0 0 107 -4,-0.4 4,-2.4 2,-0.2 -1,-0.2 0.852 114.3 53.0 -69.9 -35.2 43.9 63.5 11.7 205 237 A A H X S+ 0 0 0 -4,-1.4 4,-2.0 2,-0.2 -2,-0.2 0.936 109.2 48.9 -64.7 -46.8 47.6 63.3 10.7 206 238 A I H X S+ 0 0 6 -4,-3.4 4,-1.9 1,-0.2 -2,-0.2 0.932 112.3 48.6 -57.7 -46.4 46.9 59.9 9.0 207 239 A E H X S+ 0 0 74 -4,-2.1 4,-2.1 -5,-0.2 -1,-0.2 0.876 109.4 52.6 -63.0 -37.4 43.9 61.3 7.3 208 240 A A H X S+ 0 0 2 -4,-2.4 4,-2.1 2,-0.2 -1,-0.2 0.844 105.9 54.4 -67.6 -33.5 45.9 64.3 6.1 209 241 A L H X S+ 0 0 0 -4,-2.0 4,-1.6 1,-0.2 -2,-0.2 0.937 112.8 42.4 -65.5 -45.1 48.6 62.1 4.6 210 242 A I H X S+ 0 0 4 -4,-1.9 4,-2.3 2,-0.2 -2,-0.2 0.824 110.4 57.0 -70.3 -31.7 46.0 60.2 2.6 211 243 A E H X S+ 0 0 76 -4,-2.1 4,-0.8 2,-0.2 -1,-0.2 0.921 106.3 50.6 -64.3 -43.1 44.3 63.5 1.6 212 244 A K H >< S+ 0 0 30 -4,-2.1 3,-0.8 1,-0.2 4,-0.3 0.904 109.9 49.5 -60.6 -42.7 47.6 64.7 0.2 213 245 A L H >X S+ 0 0 0 -4,-1.6 3,-1.4 1,-0.2 4,-1.2 0.913 105.0 59.6 -61.3 -42.5 47.9 61.5 -1.8 214 246 A R H 3< S+ 0 0 113 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.669 83.4 82.0 -61.1 -21.0 44.4 61.9 -3.1 215 247 A E T << S+ 0 0 127 -3,-0.8 -1,-0.3 -4,-0.8 -2,-0.2 0.761 117.3 6.4 -59.5 -26.9 45.1 65.3 -4.7 216 248 A D T <4 S+ 0 0 62 -3,-1.4 -1,-0.2 -4,-0.3 -2,-0.2 0.362 125.4 66.9-135.0 -1.3 46.6 63.7 -7.8 217 249 A T S < S- 0 0 3 -4,-1.2 -1,-0.2 -5,-0.1 4,-0.1 -0.876 78.9-137.7-129.5 99.0 45.8 60.0 -7.2 218 250 A P > - 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