==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=19-OCT-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER STRUCTURAL GENOMICS, UNKNOWN FUNCTION 10-MAY-07 2PW9 . COMPND 2 MOLECULE: PUTATIVE FORMATE DEHYDROGENASE ACCESSORY PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: DESULFOTALEA PSYCHROPHILA LSV54; . AUTHOR J.B.BONANNO,M.DICKEY,K.T.BAIN,C.LOGAN,R.ROMERO,D.SMITH,S.WAS . 919 11 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 37113.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 640 69.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 72 7.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 207 22.5 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 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 16 1.7 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 . 63 6.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 59 6.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 203 22.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 19 2.1 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 3 4 0 0 0 3 7 2 3 5 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 8 0 4 8 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 PARALLEL BRIDGES PER LADDER . 0 0 4 9 0 3 8 0 2 2 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 4 0 0 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 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 7 A P 0 0 62 0, 0.0 3,-0.1 0, 0.0 763,-0.0 0.000 360.0 360.0 360.0 128.1 -4.6 25.6 64.3 2 8 A L + 0 0 32 1,-0.3 23,-2.5 42,-0.1 2,-0.3 0.534 360.0 21.0-114.3 -13.9 -3.9 25.4 68.0 3 9 A S E -A 24 0A 0 21,-0.3 763,-0.4 430,-0.0 2,-0.3 -0.991 59.7-145.4-152.5 162.5 -0.7 23.2 68.1 4 10 A I E -A 23 0A 15 19,-2.1 19,-2.5 -2,-0.3 2,-0.3 -0.927 24.0-117.6-126.3 145.5 2.2 22.0 66.0 5 11 A M E +A 22 0A 64 758,-2.4 2,-0.3 -2,-0.3 758,-0.3 -0.632 39.9 176.6 -79.9 141.3 4.1 18.7 65.9 6 12 A Q E -A 21 0A 25 15,-2.3 15,-2.0 -2,-0.3 2,-0.3 -0.999 25.4-123.2-145.6 146.3 7.7 19.1 66.8 7 13 A K E +A 20 0A 101 -2,-0.3 2,-0.3 13,-0.2 13,-0.2 -0.653 29.1 174.3 -89.0 144.9 10.6 16.7 67.3 8 14 A S E -A 19 0A 3 11,-2.4 11,-2.6 -2,-0.3 2,-0.5 -0.926 28.8-125.7-132.7 170.6 12.7 16.5 70.5 9 15 A V E -AB 18 458A 30 449,-2.9 449,-3.0 -2,-0.3 2,-0.5 -0.976 19.4-149.0-111.2 116.7 15.5 14.2 71.7 10 16 A V E -AB 17 457A 2 7,-3.4 7,-2.6 -2,-0.5 2,-0.5 -0.775 17.2-160.7 -84.7 124.4 14.8 12.5 75.0 11 17 A I E +AB 16 456A 9 445,-2.6 445,-1.8 -2,-0.5 5,-0.2 -0.924 18.6 160.3-111.6 129.0 18.1 12.0 76.9 12 18 A R - 0 0 100 3,-2.8 443,-0.2 -2,-0.5 3,-0.1 -0.826 55.5 -92.5-132.6 178.5 18.6 9.6 79.7 13 19 A P S S+ 0 0 80 0, 0.0 3,-0.1 0, 0.0 442,-0.1 0.927 124.3 52.1 -63.3 -39.3 21.7 8.0 81.3 14 20 A G S S- 0 0 85 1,-0.1 2,-0.3 -3,-0.0 -3,-0.0 0.866 123.0 -77.7 -59.8 -42.5 21.4 4.9 79.0 15 21 A G - 0 0 36 -3,-0.1 -3,-2.8 2,-0.0 2,-0.4 -0.945 53.3 -52.9 174.6-150.3 21.2 7.1 75.8 16 22 A R E -A 11 0A 127 -2,-0.3 2,-0.4 -5,-0.2 -5,-0.2 -0.982 33.8-175.7-128.9 125.0 19.2 9.3 73.4 17 23 A Q E -A 10 0A 130 -7,-2.6 -7,-3.4 -2,-0.4 -9,-0.0 -0.979 23.0-130.0-121.7 127.1 15.8 8.7 71.7 18 24 A E E -A 9 0A 123 -2,-0.4 2,-0.3 -9,-0.3 -9,-0.2 -0.294 32.6-171.5 -56.9 149.7 14.1 11.0 69.2 19 25 A M E -A 8 0A 53 -11,-2.6 -11,-2.4 2,-0.0 2,-0.3 -0.995 25.3-124.9-153.1 143.2 10.4 11.8 69.9 20 26 A D E -A 7 0A 109 -2,-0.3 2,-0.3 -13,-0.2 -13,-0.2 -0.706 35.0-176.2 -82.3 137.2 7.3 13.4 68.5 21 27 A E E -A 6 0A 25 -15,-2.0 -15,-2.3 -2,-0.3 2,-0.5 -0.966 26.4-131.5-134.1 150.6 5.7 16.1 70.6 22 28 A H E -A 5 0A 42 103,-0.6 2,-0.5 -2,-0.3 -17,-0.2 -0.915 26.3-166.3 -94.8 130.4 2.6 18.4 70.5 23 29 A V E -A 4 0A 0 -19,-2.5 -19,-2.1 -2,-0.5 410,-0.1 -0.971 19.3-122.2-123.0 120.0 3.5 22.0 71.1 24 30 A A E -A 3 0A 0 408,-0.5 410,-2.4 -2,-0.5 2,-0.5 -0.297 27.2-116.5 -61.7 141.9 0.8 24.6 71.9 25 31 A I - 0 0 24 -23,-2.5 2,-0.4 408,-0.2 122,-0.2 -0.680 29.7-175.8 -83.7 123.6 0.6 27.7 69.7 26 32 A E + 0 0 12 -2,-0.5 18,-0.2 18,-0.1 409,-0.2 -0.996 15.7 163.7-116.9 131.1 1.3 31.1 71.3 27 33 A T E -H 43 0B 46 16,-1.8 16,-2.9 -2,-0.4 2,-0.3 -0.996 36.5-109.4-154.5 140.2 0.8 34.1 69.0 28 34 A P E -H 42 0B 62 0, 0.0 2,-0.4 0, 0.0 14,-0.2 -0.568 31.2-178.5 -76.0 131.5 0.4 37.9 69.3 29 35 A Y E -H 41 0B 23 12,-2.6 12,-2.1 -2,-0.3 2,-0.3 -0.996 19.5-139.2-125.6 140.0 -3.0 39.5 68.6 30 36 A A E -Hi 40 78B 23 47,-3.1 49,-2.8 -2,-0.4 2,-0.5 -0.729 14.8-144.9 -90.8 143.5 -3.7 43.2 68.7 31 37 A I E -Hi 39 79B 0 8,-2.7 7,-3.0 -2,-0.3 8,-1.4 -0.965 17.8-169.9-112.6 125.1 -7.1 44.2 70.3 32 38 A A E -Hi 37 80B 0 47,-2.9 49,-3.1 -2,-0.5 2,-0.4 -0.888 12.8-158.4-117.1 141.6 -8.8 47.3 68.8 33 39 A L E > S-Hi 36 81B 11 3,-2.4 3,-1.8 -2,-0.4 49,-0.2 -0.992 83.2 -15.7-114.0 124.6 -11.8 49.3 70.0 34 40 A N T 3 S- 0 0 70 47,-2.7 -1,-0.2 -2,-0.4 48,-0.1 0.936 131.8 -50.3 45.8 53.2 -13.7 51.3 67.4 35 41 A D T 3 S+ 0 0 109 46,-0.4 2,-0.5 1,-0.1 -1,-0.3 0.578 117.0 110.7 61.7 15.8 -10.7 50.9 65.0 36 42 A R E < S-H 33 0B 127 -3,-1.8 -3,-2.4 0, 0.0 2,-0.3 -0.975 72.6-120.9-122.3 119.8 -8.1 52.1 67.6 37 43 A V E +H 32 0B 82 -2,-0.5 -5,-0.3 -5,-0.3 3,-0.1 -0.417 31.3 177.8 -64.1 119.5 -5.6 49.5 68.9 38 44 A I E - 0 0 35 -7,-3.0 2,-0.3 -2,-0.3 -6,-0.2 0.677 56.3 -43.2 -93.0 -25.7 -6.0 49.3 72.7 39 45 A G E -H 31 0B 22 -8,-1.4 -8,-2.7 2,-0.0 2,-0.3 -0.959 50.7-115.6 174.1-170.8 -3.5 46.6 73.5 40 46 A S E -H 30 0B 78 -2,-0.3 2,-0.3 -10,-0.3 -10,-0.2 -0.984 19.1-173.8-163.4 148.3 -2.0 43.3 72.6 41 47 A S E -H 29 0B 27 -12,-2.1 -12,-2.6 -2,-0.3 2,-0.6 -0.989 31.1-115.4-149.7 154.2 -1.7 39.8 74.0 42 48 A M E +H 28 0B 27 -2,-0.3 2,-0.3 -14,-0.2 106,-0.2 -0.840 52.2 174.1 -89.1 117.0 -0.1 36.4 73.5 43 49 A V E -H 27 0B 0 -16,-2.9 -16,-1.8 -2,-0.6 103,-0.1 -0.829 46.7-117.6-130.1 155.2 -3.0 34.0 72.9 44 50 A L - 0 0 0 -2,-0.3 2,-2.5 -18,-0.2 -18,-0.1 -0.890 51.2-119.8 -82.0 124.0 -3.9 30.5 72.0 45 51 A P S S+ 0 0 29 0, 0.0 2,-0.3 0, 0.0 3,-0.1 -0.338 76.5 100.2 -84.0 62.2 -5.7 31.4 68.8 46 52 A V S S+ 0 0 40 -2,-2.5 -2,-0.2 99,-0.2 5,-0.1 -0.975 77.8 12.5-137.9 146.6 -9.2 30.1 69.6 47 53 A D S > S+ 0 0 62 -2,-0.3 4,-2.3 1,-0.1 -1,-0.1 0.890 70.8 158.2 56.0 46.5 -12.4 31.8 70.8 48 54 A L H > + 0 0 11 2,-0.2 4,-2.6 1,-0.2 5,-0.1 0.704 62.3 62.6 -79.5 -21.3 -11.0 35.2 70.1 49 55 A E H > S+ 0 0 73 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.969 110.7 42.1 -59.8 -54.6 -14.4 36.9 69.8 50 56 A E H > S+ 0 0 15 1,-0.2 4,-2.6 2,-0.2 5,-0.3 0.930 113.2 53.6 -54.6 -47.9 -14.9 36.0 73.5 51 57 A F H X S+ 0 0 0 -4,-2.3 4,-3.0 1,-0.2 5,-0.3 0.938 107.0 52.3 -54.7 -47.1 -11.3 36.9 74.2 52 58 A G H X S+ 0 0 0 -4,-2.6 4,-1.6 2,-0.2 -1,-0.2 0.911 112.8 42.3 -56.5 -47.7 -11.7 40.4 72.6 53 59 A A H X S+ 0 0 0 -4,-1.9 4,-2.4 1,-0.2 -1,-0.2 0.926 117.5 46.7 -65.4 -47.2 -14.8 41.3 74.7 54 60 A G H X S+ 0 0 0 -4,-2.6 4,-2.6 100,-0.2 -2,-0.2 0.844 109.3 53.7 -67.3 -38.9 -13.4 39.9 77.9 55 61 A F H X S+ 0 0 19 -4,-3.0 4,-2.2 -5,-0.3 -1,-0.2 0.934 111.2 46.4 -60.0 -45.5 -10.0 41.6 77.5 56 62 A L H X>S+ 0 0 0 -4,-1.6 5,-2.5 -5,-0.3 4,-0.9 0.915 112.3 49.6 -66.6 -42.9 -11.6 45.0 77.1 57 63 A F H ><5S+ 0 0 17 -4,-2.4 3,-0.7 4,-0.2 -1,-0.2 0.936 110.5 51.8 -53.9 -48.9 -13.9 44.4 80.1 58 64 A G H 3<5S+ 0 0 2 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.840 111.6 46.7 -57.1 -37.2 -10.8 43.4 82.1 59 65 A Q H 3<5S- 0 0 43 -4,-2.2 -1,-0.2 -5,-0.1 -2,-0.2 0.588 119.7-111.1 -80.4 -14.3 -9.0 46.6 81.1 60 66 A G T <<5S+ 0 0 36 -4,-0.9 -3,-0.2 -3,-0.7 -2,-0.1 0.644 85.6 115.2 96.8 14.7 -12.1 48.7 81.9 61 67 A Y S - 0 0 110 1,-0.1 3,-1.3 97,-0.0 4,-0.4 -0.954 68.4-130.1-131.6 146.2 -22.0 45.9 79.8 65 71 A A G > S+ 0 0 35 -2,-0.4 3,-1.9 1,-0.2 -1,-0.1 0.902 106.4 67.4 -49.8 -41.4 -23.0 43.3 77.3 66 72 A E G 3 S+ 0 0 147 1,-0.3 -1,-0.2 -3,-0.1 18,-0.1 0.695 89.1 61.9 -61.2 -24.4 -25.3 46.0 75.8 67 73 A E G < S+ 0 0 40 -3,-1.3 17,-2.9 16,-0.1 2,-0.5 0.694 82.9 97.6 -73.7 -20.8 -22.4 48.3 74.6 68 74 A I E < +J 83 0B 26 -3,-1.9 15,-0.3 -4,-0.4 3,-0.1 -0.584 40.0 168.4 -79.0 122.2 -21.0 45.7 72.3 69 75 A R E - 0 0 175 13,-3.1 2,-0.3 -2,-0.5 14,-0.2 0.873 63.2 -27.7 -98.2 -49.9 -22.1 46.0 68.6 70 76 A E E -J 82 0B 98 12,-1.7 12,-3.5 2,-0.0 2,-0.4 -0.969 45.1-151.1-161.5 164.5 -19.7 43.5 66.9 71 77 A I E -J 81 0B 14 -2,-0.3 2,-0.4 10,-0.2 10,-0.2 -0.998 13.6-166.0-138.5 129.6 -16.3 41.8 67.1 72 78 A L E -J 80 0B 76 8,-2.4 8,-3.3 -2,-0.4 2,-0.5 -0.945 7.6-150.8-119.6 136.3 -14.3 40.7 64.0 73 79 A V E -J 79 0B 59 -2,-0.4 6,-0.2 6,-0.2 -24,-0.1 -0.943 7.9-167.2-109.8 126.8 -11.3 38.3 64.1 74 80 A C E >> -J 78 0B 42 4,-2.8 3,-2.2 -2,-0.5 4,-1.4 -0.935 21.9-140.6-107.8 124.9 -8.6 38.6 61.4 75 81 A P T 34 S+ 0 0 110 0, 0.0 -1,-0.1 0, 0.0 4,-0.1 0.601 96.3 78.0 -62.3 -5.6 -6.1 35.7 61.1 76 82 A Q T 34 S- 0 0 168 2,-0.2 -3,-0.0 1,-0.0 0, 0.0 0.616 125.5 -83.3 -73.5 -12.1 -3.4 38.4 60.5 77 83 A G T <4 S+ 0 0 18 -3,-2.2 -47,-3.1 1,-0.3 2,-0.4 0.727 91.0 111.8 116.2 29.5 -3.3 39.2 64.3 78 84 A R E < -iJ 30 74B 89 -4,-1.4 -4,-2.8 -49,-0.2 2,-0.5 -0.989 41.0-167.3-137.6 133.7 -6.2 41.6 65.0 79 85 A I E -iJ 31 73B 0 -49,-2.8 -47,-2.9 -2,-0.4 2,-0.7 -0.975 19.2-158.2-108.7 122.8 -9.4 41.4 67.0 80 86 A S E -iJ 32 72B 9 -8,-3.3 -8,-2.4 -2,-0.5 2,-0.4 -0.890 6.1-167.3-109.0 114.6 -11.6 44.4 66.2 81 87 A V E -iJ 33 71B 0 -49,-3.1 -47,-2.7 -2,-0.7 2,-0.5 -0.817 5.1-160.3-102.1 135.9 -14.3 45.2 68.7 82 88 A Y E + J 0 70B 58 -12,-3.5 -13,-3.1 -2,-0.4 -12,-1.7 -0.975 26.4 156.0-116.3 116.3 -17.1 47.7 67.9 83 89 A A E J 0 68B 7 -2,-0.5 -15,-0.2 -15,-0.3 -16,-0.1 -0.999 360.0 360.0-146.3 144.5 -18.8 49.2 70.9 84 90 A D 0 0 133 -17,-2.9 -16,-0.1 -2,-0.3 -2,-0.0 -0.420 360.0 360.0 -74.6 360.0 -20.8 52.2 72.0 85 ! 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 86 110 A K 0 0 155 0, 0.0 189,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 116.5 -2.6 43.9 83.7 87 111 A I - 0 0 49 -28,-0.0 -28,-0.1 -27,-0.0 -29,-0.0 -0.993 360.0-114.5-133.2 143.6 -5.3 45.7 85.7 88 112 A P > - 0 0 31 0, 0.0 4,-0.7 0, 0.0 3,-0.2 -0.245 28.5-116.5 -63.0 162.9 -6.2 49.4 86.1 89 113 A K H > S+ 0 0 173 1,-0.2 4,-0.9 2,-0.2 3,-0.4 0.878 111.1 54.3 -69.5 -41.4 -5.8 51.2 89.4 90 114 A E H 4 S+ 0 0 137 1,-0.2 -1,-0.2 2,-0.2 -3,-0.0 0.656 98.8 64.8 -71.3 -18.6 -9.5 52.0 90.0 91 115 A M H 4 S+ 0 0 24 -3,-0.2 -1,-0.2 1,-0.2 -2,-0.2 0.902 95.2 56.5 -68.8 -43.4 -10.5 48.3 89.5 92 116 A L H < 0 0 50 -4,-0.7 -2,-0.2 -3,-0.4 -1,-0.2 0.913 360.0 360.0 -56.7 -47.7 -8.6 47.1 92.6 93 117 A E < 0 0 134 -4,-0.9 -1,-0.3 2,-0.1 -2,-0.1 -0.072 360.0 360.0 -75.4 360.0 -10.6 49.5 94.9 94 ! 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 95 119 A E 0 0 175 0, 0.0 2,-0.5 0, 0.0 115,-0.1 0.000 360.0 360.0 360.0 125.1 -16.4 48.7 95.7 96 120 A F - 0 0 41 113,-0.2 3,-0.1 1,-0.0 91,-0.1 -0.720 360.0-140.1 -93.4 124.6 -18.2 45.5 94.4 97 121 A A - 0 0 71 -2,-0.5 92,-0.1 1,-0.2 -1,-0.0 -0.322 52.0 -70.3 -61.6 160.5 -21.7 45.5 93.1 98 122 A P - 0 0 127 0, 0.0 2,-0.2 0, 0.0 -1,-0.2 -0.200 49.0-130.8 -63.9 150.0 -23.8 42.4 94.2 99 123 A L - 0 0 24 111,-0.2 91,-0.2 1,-0.2 90,-0.1 -0.586 33.1 -83.5 -95.0 160.9 -22.9 38.9 92.8 100 124 A A - 0 0 16 89,-2.7 -1,-0.2 67,-0.2 68,-0.1 0.038 31.5-120.5 -60.9 167.9 -25.4 36.4 91.4 101 125 A D + 0 0 140 2,-0.0 -1,-0.1 89,-0.0 67,-0.1 0.406 62.2 133.3 -97.0 2.6 -27.5 33.9 93.5 102 126 A Y - 0 0 26 65,-0.1 2,-0.3 67,-0.1 67,-0.1 -0.227 34.3-168.1 -55.4 139.6 -26.3 30.7 92.1 103 127 A C - 0 0 44 65,-0.1 129,-0.2 67,-0.0 67,-0.1 -0.977 16.7-128.7-130.7 147.3 -25.3 28.0 94.6 104 128 A L B -k 232 0C 0 127,-2.6 129,-2.5 -2,-0.3 2,-0.4 -0.822 10.9-133.4-105.8 118.5 -23.4 24.8 93.7 105 129 A P > - 0 0 39 0, 0.0 3,-1.9 0, 0.0 4,-0.5 -0.566 18.2-136.8 -68.8 123.3 -24.7 21.4 94.7 106 130 A F G > S+ 0 0 22 127,-2.6 3,-1.0 -2,-0.4 4,-0.4 0.787 101.6 63.7 -45.3 -30.4 -21.6 19.6 96.1 107 131 A A G 3 S+ 0 0 57 126,-0.4 4,-0.3 1,-0.3 3,-0.3 0.719 95.8 55.0 -74.5 -22.5 -22.6 16.5 94.1 108 132 A E G <> S+ 0 0 52 -3,-1.9 4,-2.7 1,-0.2 -1,-0.3 0.488 83.7 88.2 -85.7 -7.2 -22.3 18.2 90.7 109 133 A I H <> S+ 0 0 0 -3,-1.0 4,-2.7 -4,-0.5 5,-0.2 0.923 86.2 51.3 -58.2 -46.2 -18.6 19.1 91.5 110 134 A K H > S+ 0 0 60 110,-0.5 4,-2.0 -4,-0.4 -1,-0.2 0.837 113.6 45.2 -58.5 -38.6 -17.4 15.8 90.1 111 135 A S H > S+ 0 0 47 -4,-0.3 4,-2.7 2,-0.2 5,-0.2 0.876 112.1 51.1 -70.8 -42.4 -19.4 16.3 86.9 112 136 A F H X S+ 0 0 0 -4,-2.7 4,-2.1 2,-0.2 -2,-0.2 0.961 115.6 42.1 -56.7 -53.0 -18.2 20.0 86.5 113 137 A I H X S+ 0 0 5 -4,-2.7 4,-2.9 1,-0.2 5,-0.2 0.929 115.9 48.8 -65.5 -48.9 -14.5 19.0 86.9 114 138 A R H X S+ 0 0 142 -4,-2.0 4,-1.8 -5,-0.2 -1,-0.2 0.895 113.7 45.6 -51.6 -52.5 -14.8 15.9 84.7 115 139 A E H < S+ 0 0 98 -4,-2.7 4,-0.5 2,-0.2 -1,-0.2 0.840 114.5 49.7 -63.4 -34.8 -16.6 17.7 81.9 116 140 A A H >< S+ 0 0 0 -4,-2.1 3,-1.8 -5,-0.2 4,-0.5 0.991 114.4 42.6 -64.9 -59.6 -14.1 20.6 82.1 117 141 A L H 3< S+ 0 0 62 -4,-2.9 3,-0.3 1,-0.3 -2,-0.2 0.755 118.9 45.9 -61.0 -26.4 -11.0 18.4 82.0 118 142 A H T 3< S+ 0 0 154 -4,-1.8 -1,-0.3 -5,-0.2 -2,-0.2 0.522 88.1 89.9 -93.5 -4.0 -12.5 16.3 79.3 119 143 A S S < S+ 0 0 67 -3,-1.8 -1,-0.2 -4,-0.5 -2,-0.2 0.853 96.6 18.4 -66.8 -34.0 -13.7 19.1 77.2 120 144 A S - 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0 0 64 -28,-0.0 -28,-0.1 4,-0.0 2,-0.1 -0.984 360.0-134.0-121.0 126.2 6.5 42.5 76.3 322 112 B P > - 0 0 21 0, 0.0 4,-0.7 0, 0.0 -28,-0.1 -0.355 8.8-139.8 -70.3 159.4 8.4 45.1 74.2 323 113 B K H > S+ 0 0 168 2,-0.2 4,-1.4 1,-0.1 -2,-0.0 0.711 98.3 59.9 -94.1 -23.2 8.3 44.8 70.4 324 114 B E H 4 S+ 0 0 118 1,-0.2 -1,-0.1 2,-0.2 -30,-0.0 0.797 103.3 53.9 -73.9 -30.3 12.0 45.6 69.8 325 115 B M H 4 S+ 0 0 22 1,-0.2 -1,-0.2 -33,-0.1 -2,-0.2 0.901 107.5 49.5 -65.3 -44.9 13.0 42.6 71.9 326 116 B L H < 0 0 24 -4,-0.7 -2,-0.2 0, 0.0 -1,-0.2 0.838 360.0 360.0 -72.5 -36.9 11.0 40.1 69.9 327 117 B E < 0 0 143 -4,-1.4 -4,-0.0 0, 0.0 0, 0.0 -0.259 360.0 360.0-126.0 360.0 12.1 41.1 66.4 328 ! 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 0.0 329 120 B F 0 0 69 0, 0.0 3,-0.1 0, 0.0 91,-0.1 0.000 360.0 360.0 360.0 127.7 20.5 38.0 69.2 330 121 B A - 0 0 71 1,-0.2 92,-0.1 89,-0.2 0, 0.0 -0.451 360.0 -70.1 -83.3 163.0 24.0 38.5 70.3 331 122 B P - 0 0 125 0, 0.0 2,-0.2 0, 0.0 -1,-0.2 -0.139 49.7-128.4 -53.9 150.3 26.1 35.4 71.0 332 123 B L - 0 0 26 111,-0.2 91,-0.2 1,-0.1 90,-0.1 -0.654 29.4 -93.3 -96.1 157.1 25.3 33.2 74.0 333 124 B A - 0 0 17 89,-3.0 -1,-0.1 67,-0.2 89,-0.0 -0.171 34.7-123.2 -64.4 161.1 27.8 32.1 76.7 334 125 B D + 0 0 139 2,-0.0 -1,-0.1 89,-0.0 67,-0.1 0.287 56.7 138.9-103.9 23.0 29.5 28.8 76.1 335 126 B Y - 0 0 28 65,-0.1 2,-0.3 67,-0.1 67,-0.1 -0.201 32.4-164.1 -48.9 142.2 28.6 26.8 79.2 336 127 B C - 0 0 48 65,-0.1 129,-0.2 67,-0.0 67,-0.1 -0.994 14.6-129.8-131.0 141.6 27.6 23.2 78.6 337 128 B L B -w 465 0G 0 127,-2.0 129,-2.3 -2,-0.3 2,-0.3 -0.783 11.3-132.0 -99.8 119.3 25.8 21.0 81.2 338 129 B P >> - 0 0 42 0, 0.0 3,-1.7 0, 0.0 4,-0.5 -0.484 18.8-134.6 -62.2 127.4 27.0 17.5 82.3 339 130 B F H >> S+ 0 0 23 127,-2.2 3,-1.6 -2,-0.3 4,-0.5 0.861 101.8 59.3 -50.7 -41.3 24.0 15.2 82.2 340 131 B A H 3> S+ 0 0 57 126,-0.3 4,-0.5 1,-0.3 -1,-0.3 0.728 99.0 59.1 -63.6 -24.4 24.8 13.7 85.6 341 132 B E H <> S+ 0 0 54 -3,-1.7 4,-2.8 1,-0.2 -1,-0.3 0.615 83.2 84.2 -79.2 -12.0 24.6 17.1 87.3 342 133 B I H < S+ 0 0 0 -4,-2.7 3,-1.4 -5,-0.2 4,-0.5 0.980 117.5 45.1 -58.7 -55.1 16.5 24.0 93.2 350 141 B L H 3< S+ 0 0 64 -4,-3.4 3,-0.3 1,-0.3 -2,-0.2 0.799 117.9 43.9 -64.6 -27.1 13.4 22.0 94.3 351 142 B H H 3< S+ 0 0 150 -4,-2.7 -1,-0.3 -5,-0.3 -2,-0.2 0.431 91.8 89.4 -93.2 1.0 14.8 21.6 97.9 352 143 B S S << S+ 0 0 66 -3,-1.4 -1,-0.2 -4,-0.6 -2,-0.1 0.816 93.2 21.2 -72.1 -33.3 16.0 25.2 98.2 353 144 B S - 0 0 27 -4,-0.5 3,-0.3 -3,-0.3 -1,-0.1 -0.976 57.2-146.4-138.9 144.8 12.8 26.8 99.6 354 145 B P S > S+ 0 0 76 0, 0.0 4,-2.7 0, 0.0 5,-0.1 0.535 78.9 92.6 -86.4 -3.9 9.8 25.5 101.5 355 146 B L H >>S+ 0 0 9 2,-0.2 4,-2.9 1,-0.2 5,-0.5 0.833 82.7 51.5 -59.0 -41.8 7.3 28.0 100.0 356 147 B G H >5S+ 0 0 18 -3,-0.3 4,-3.2 2,-0.2 -1,-0.2 0.985 114.1 42.5 -60.2 -61.6 6.2 25.8 97.1 357 148 B P H 45S+ 0 0 93 0, 0.0 -2,-0.2 0, 0.0 -1,-0.2 0.885 119.0 47.6 -52.5 -40.2 5.4 22.8 99.3 358 149 B Q H <5S+ 0 0 94 -4,-2.7 -102,-0.5 1,-0.1 -2,-0.2 0.974 132.9 9.2 -61.0 -50.3 3.8 25.2 101.9 359 150 B T H <5S- 0 0 0 -4,-2.9 -101,-0.2 -5,-0.1 -3,-0.2 0.568 75.0-142.8-115.9 -19.7 1.5 27.3 99.5 360 151 B H S < +C 372 0A 6 3,-1.9 3,-1.9 -2,-0.4 33,-0.1 -0.927 62.2 30.0-158.2 163.8 27.4 26.4 86.9 370 161 B N T 3 S- 0 0 143 1,-0.3 3,-0.1 -2,-0.3 -1,-0.0 0.845 129.1 -62.9 54.8 39.7 30.6 25.0 88.4 371 162 B G T 3 S+ 0 0 36 1,-0.1 2,-0.3 -3,-0.0 -1,-0.3 0.709 116.6 86.6 59.7 26.9 28.7 22.1 89.9 372 163 B R E < S-C 369 0A 93 -3,-1.9 -3,-1.9 -24,-0.0 2,-0.8 -0.999 83.4-102.7-156.5 156.2 26.5 24.2 92.1 373 164 B L E -C 368 0A 29 -2,-0.3 -5,-0.2 -5,-0.2 3,-0.1 -0.688 33.7-174.7 -79.4 111.3 23.3 26.2 92.4 374 165 B Q E - 0 0 61 -7,-2.5 2,-0.3 -2,-0.8 -1,-0.2 0.903 64.8 -6.2 -82.0 -43.2 24.5 29.8 92.2 375 166 B V E -C 367 0A 23 -8,-1.0 -8,-2.3 2,-0.0 2,-0.3 -0.988 55.4-170.5-146.6 156.0 21.2 31.5 92.8 376 167 B Y E -C 366 0A 34 -2,-0.3 2,-0.3 -10,-0.2 -10,-0.3 -0.948 11.4-176.2-146.5 126.8 17.6 30.5 93.1 377 168 B H E -C 365 0A 9 -12,-3.1 -12,-2.1 -2,-0.3 2,-0.3 -0.921 6.2-159.1-127.6 149.1 14.6 33.0 93.2 378 169 B E E +C 364 0A 17 -2,-0.3 2,-0.3 -14,-0.2 -98,-0.2 -0.865 15.0 159.8-123.9 157.0 10.9 32.6 93.7 379 170 B D E -C 363 0A 0 -16,-1.9 -16,-3.3 -2,-0.3 6,-0.1 -0.975 50.6-111.0-162.4 163.9 7.8 34.6 93.0 380 171 B V S S+ 0 0 4 -2,-0.3 2,-0.5 -18,-0.2 -103,-0.1 0.802 108.3 56.0 -69.2 -23.2 4.1 34.3 92.5 381 172 B G S > S- 0 0 20 -105,-0.2 4,-1.6 1,-0.1 3,-0.3 -0.931 75.1-145.9-115.4 127.6 4.6 35.0 88.8 382 173 B R H > S+ 0 0 30 -2,-0.5 4,-2.0 1,-0.2 5,-0.2 0.880 102.3 56.1 -57.2 -38.7 6.9 32.9 86.7 383 174 B H H > S+ 0 0 55 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.918 108.1 49.2 -61.0 -42.2 7.9 36.0 84.6 384 175 B N H > S+ 0 0 16 -3,-0.3 4,-2.0 2,-0.2 -1,-0.2 0.794 104.9 56.4 -63.9 -37.2 9.0 37.7 87.8 385 176 B A H X S+ 0 0 0 -4,-1.6 4,-1.4 2,-0.2 -1,-0.2 0.900 111.1 45.3 -62.2 -41.5 11.1 34.7 89.1 386 177 B V H X S+ 0 0 2 -4,-2.0 4,-2.8 2,-0.2 3,-0.3 0.941 107.8 56.7 -66.4 -47.6 13.1 34.9 85.8 387 178 B D H X S+ 0 0 3 -4,-2.3 4,-2.0 1,-0.2 -2,-0.2 0.873 105.9 52.6 -47.0 -45.5 13.4 38.7 86.1 388 179 B K H X S+ 0 0 0 -4,-2.0 4,-2.2 2,-0.2 -1,-0.2 0.872 108.3 49.1 -57.0 -43.0 15.0 38.2 89.6 389 180 B V H X S+ 0 0 1 -4,-1.4 4,-1.9 -3,-0.3 -2,-0.2 0.932 111.1 49.6 -63.1 -43.7 17.5 35.8 88.0 390 181 B L H X S+ 0 0 0 -4,-2.8 4,-2.4 1,-0.2 -2,-0.2 0.899 108.9 55.3 -56.9 -40.5 18.2 38.4 85.3 391 182 B G H X S+ 0 0 0 -4,-2.0 4,-1.4 1,-0.2 6,-0.2 0.880 104.9 50.8 -64.0 -43.9 18.7 40.9 88.2 392 183 B S H <>S+ 0 0 2 -4,-2.2 5,-2.1 2,-0.2 6,-1.2 0.859 110.2 49.4 -58.9 -40.3 21.3 38.8 89.9 393 184 B I H ><5S+ 0 0 21 -4,-1.9 3,-1.4 4,-0.2 5,-0.3 0.961 113.1 47.6 -63.5 -45.5 23.3 38.4 86.8 394 185 B L H 3<5S+ 0 0 11 -4,-2.4 -2,-0.2 1,-0.3 -1,-0.2 0.703 109.1 54.4 -68.9 -22.0 23.1 42.2 86.2 395 186 B L T 3<5S- 0 0 40 -4,-1.4 -1,-0.3 -5,-0.1 -2,-0.2 0.308 117.8-108.8 -96.6 6.6 24.1 42.9 89.8 396 187 B G T < 5S+ 0 0 71 -3,-1.4 -3,-0.2 2,-0.2 -2,-0.1 0.534 92.0 113.5 81.1 9.1 27.3 40.9 89.6 397 188 B R S - 0 0 3 -2,-1.6 4,-1.9 21,-0.2 3,-0.4 -0.252 57.8 -77.3 -83.7-178.4 6.6 30.6 76.6 412 203 B S H > S+ 0 0 0 1,-0.2 4,-2.6 2,-0.2 5,-0.1 0.873 126.4 43.8 -52.3 -55.0 7.8 33.5 74.5 413 204 B D H > S+ 0 0 12 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.773 109.5 56.7 -67.4 -33.4 8.9 36.0 77.1 414 205 B M H > S+ 0 0 3 -3,-0.4 4,-1.6 2,-0.2 -1,-0.2 0.969 113.8 39.1 -63.6 -50.6 10.6 33.5 79.3 415 206 B V H X S+ 0 0 0 -4,-1.9 4,-2.7 2,-0.2 5,-0.3 0.926 113.6 55.9 -65.7 -44.3 12.9 32.4 76.5 416 207 B L H X S+ 0 0 2 -4,-2.6 4,-2.8 -5,-0.3 -2,-0.2 0.936 106.9 49.5 -53.8 -51.8 13.4 36.0 75.2 417 208 B K H X S+ 0 0 5 -4,-2.3 4,-1.5 1,-0.2 -1,-0.2 0.896 113.8 44.1 -54.1 -49.9 14.6 37.2 78.5 418 209 B C H X>S+ 0 0 4 -4,-1.6 5,-2.0 -5,-0.2 4,-0.6 0.875 115.0 47.6 -67.7 -40.7 17.2 34.5 79.0 419 210 B A H ><5S+ 0 0 3 -4,-2.7 3,-0.7 3,-0.2 -2,-0.2 0.887 107.9 56.9 -66.5 -38.9 18.5 34.6 75.5 420 211 B R H 3<5S+ 0 0 68 -4,-2.8 -2,-0.2 -5,-0.3 -1,-0.2 0.884 108.6 45.9 -60.5 -38.8 18.8 38.4 75.6 421 212 B I H 3<5S- 0 0 19 -4,-1.5 -1,-0.2 -5,-0.2 -2,-0.2 0.551 122.0-106.8 -81.7 -8.4 21.1 38.1 78.7 422 213 B G T <<5 + 0 0 5 -3,-0.7 -89,-3.0 -4,-0.6 -3,-0.2 0.504 61.1 155.9 103.6 8.9 23.1 35.4 77.1 423 214 B I < - 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0 0 2 -2,-1.5 4,-1.7 21,-0.2 5,-0.3 -0.166 60.5 -77.3 -76.3-178.4 -5.7 9.5 34.6 875 203 D S H > S+ 0 0 2 1,-0.2 4,-1.8 2,-0.2 5,-0.1 0.796 128.0 47.2 -51.5 -45.4 -4.2 12.9 33.6 876 204 D D H > S+ 0 0 5 2,-0.2 4,-2.3 3,-0.2 5,-0.2 0.882 108.4 53.1 -67.7 -43.3 -3.2 14.1 37.0 877 205 D M H > S+ 0 0 2 1,-0.2 4,-1.7 2,-0.2 -2,-0.2 0.965 116.4 38.8 -58.5 -50.9 -1.5 10.9 38.2 878 206 D V H X S+ 0 0 0 -4,-1.7 4,-2.2 1,-0.2 -1,-0.2 0.866 114.0 54.8 -68.6 -39.5 0.8 10.8 35.1 879 207 D L H X S+ 0 0 0 -4,-1.8 4,-2.6 -5,-0.3 -1,-0.2 0.933 107.5 49.3 -65.4 -44.2 1.3 14.6 34.9 880 208 D K H X S+ 0 0 2 -4,-2.3 4,-1.4 1,-0.2 -1,-0.2 0.939 112.0 47.0 -58.0 -52.1 2.6 14.8 38.5 881 209 D C H <>S+ 0 0 2 -4,-1.7 5,-2.6 -5,-0.2 4,-0.3 0.849 115.1 47.0 -62.0 -36.9 5.1 11.9 38.2 882 210 D A H ><5S+ 0 0 3 -4,-2.2 3,-0.9 3,-0.2 -1,-0.2 0.888 107.0 55.7 -69.5 -43.2 6.4 13.4 34.9 883 211 D R H 3<5S+ 0 0 61 -4,-2.6 -2,-0.2 1,-0.3 -1,-0.2 0.790 110.3 46.2 -60.4 -33.5 6.7 17.0 36.2 884 212 D I T 3<5S- 0 0 17 -4,-1.4 -1,-0.3 -5,-0.2 -2,-0.2 0.519 122.8-109.5 -85.6 -10.3 8.9 15.7 39.0 885 213 D G T < 5 + 0 0 7 -3,-0.9 -89,-2.9 -4,-0.3 -3,-0.2 0.602 59.3 156.0 95.7 13.5 10.9 13.6 36.5 886 214 D I < - 0 0 0 -5,-2.6 -1,-0.3 -91,-0.2 -22,-0.1 -0.617 25.6-162.6 -67.3 122.7 10.0 10.0 37.3 887 215 D P S S+ 0 0 0 0, 0.0 22,-2.9 0, 0.0 2,-0.4 0.596 71.0 50.9 -87.9 -16.3 10.7 8.1 34.0 888 216 D I E -cd 866 909I 0 -23,-0.7 -21,-2.4 20,-0.2 2,-0.5 -0.993 61.5-177.6-127.4 126.1 8.6 4.9 34.7 889 217 D I E -cd 867 910I 2 20,-2.7 22,-2.6 -2,-0.4 2,-0.3 -0.982 10.0-176.6-130.1 109.5 5.0 5.1 35.9 890 218 D M E -cd 868 911I 0 -23,-3.4 -21,-2.1 -2,-0.5 2,-0.3 -0.871 4.9-172.5-114.7 144.0 3.3 1.7 36.7 891 219 D S E -c 869 0I 0 20,-1.9 23,-2.7 -2,-0.3 -21,-0.2 -0.984 31.1-139.5-133.3 143.8 -0.3 0.9 37.7 892 220 D R S S+ 0 0 106 -23,-2.1 -22,-0.1 -2,-0.3 -20,-0.1 0.716 95.5 23.3 -61.8 -23.0 -2.1 -2.2 38.9 893 221 D T S S- 0 0 35 -22,-0.4 20,-2.2 -24,-0.3 21,-0.2 -0.121 101.1 -37.4-127.9-143.7 -5.0 -1.0 36.7 894 222 D S - 0 0 0 -311,-0.5 -21,-2.4 18,-0.2 2,-0.2 -0.446 33.7-137.5 -99.0 157.5 -5.8 1.2 33.6 895 223 D P B -v 873 0P 1 0, 0.0 -404,-0.5 0, 0.0 -21,-0.2 -0.601 21.2-131.4 -92.4 164.0 -4.7 4.5 32.0 896 224 D S > - 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