==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=7-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER STRUCTURAL GENOMICS, UNKNOWN FUNCTION 25-JAN-08 3C2Q . COMPND 2 MOLECULE: UNCHARACTERIZED CONSERVED PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: METHANOCOCCUS MARIPALUDIS S2; . AUTHOR N.DUKE,M.GU,R.MULLIGAN,B.CONRAD,A.JOACHIMIAK,MIDWEST CENTER . 664 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 29544.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 470 70.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 63 9.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 66 9.9 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 6 0.9 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 . 48 7.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 58 8.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 199 30.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 11 1.7 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 1 2 4 1 0 4 2 0 0 2 0 0 0 0 0 2 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 2 2 3 5 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 . 7 4 2 4 2 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 4 0 0 2 2 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 73 A A 0 0 141 0, 0.0 2,-0.6 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 138.6 60.1 63.6 25.9 2 74 A N + 0 0 111 5,-0.0 3,-0.1 3,-0.0 5,-0.0 -0.933 360.0 174.7-107.1 118.2 57.0 61.4 26.2 3 75 A I >> - 0 0 83 -2,-0.6 3,-2.0 1,-0.1 4,-0.5 -0.926 19.4-155.6-125.5 97.7 57.2 58.3 24.0 4 76 A P G >4 S+ 0 0 53 0, 0.0 77,-2.7 0, 0.0 3,-1.4 0.816 88.1 63.7 -42.1 -47.4 54.1 56.1 24.8 5 77 A E G 34 S+ 0 0 111 1,-0.3 30,-0.1 75,-0.2 4,-0.1 0.772 114.5 31.8 -48.4 -36.2 55.8 52.9 23.6 6 78 A I G <4 S+ 0 0 71 -3,-2.0 -1,-0.3 75,-0.1 2,-0.2 0.232 95.3 105.8-117.2 11.0 58.4 53.1 26.4 7 79 A E S << S- 0 0 57 -3,-1.4 28,-0.3 -4,-0.5 2,-0.1 -0.607 86.4 -90.1 -75.7 150.4 56.4 54.8 29.1 8 80 A N - 0 0 56 -2,-0.2 28,-0.2 1,-0.1 73,-0.1 -0.405 52.6-104.0 -57.5 136.2 55.3 52.6 32.0 9 81 A A - 0 0 14 26,-2.9 2,-0.4 72,-0.3 28,-0.2 -0.271 28.8-121.0 -63.2 146.5 51.9 51.1 31.3 10 82 A N E -A 77 0A 70 67,-0.6 67,-2.9 70,-0.4 2,-0.3 -0.786 31.1-168.2 -86.9 136.3 48.8 52.4 32.9 11 83 A L E -A 76 0A 50 -2,-0.4 65,-0.2 65,-0.2 63,-0.1 -0.917 10.8-169.0-123.6 148.9 46.7 50.0 35.1 12 84 A K E -A 75 0A 115 63,-2.5 63,-2.9 -2,-0.3 2,-0.2 -0.998 26.0-120.2-136.3 135.8 43.3 50.1 36.7 13 85 A P E -A 74 0A 54 0, 0.0 61,-0.2 0, 0.0 2,-0.2 -0.489 33.8-111.5 -72.6 137.0 41.8 47.7 39.2 14 86 A A - 0 0 3 59,-2.0 58,-3.0 56,-0.4 6,-0.1 -0.529 20.9-150.7 -63.6 136.1 38.7 45.9 38.1 15 87 A L S S+ 0 0 127 4,-0.3 2,-0.3 56,-0.2 -1,-0.1 0.646 76.3 11.8 -84.0 -18.6 35.7 47.3 40.2 16 88 A K B > S-F 19 0B 95 3,-0.5 3,-1.7 54,-0.1 -1,-0.1 -0.966 96.1 -80.4-150.8 156.0 33.8 44.0 40.0 17 89 A D T 3 S+ 0 0 95 -2,-0.3 53,-0.3 1,-0.3 3,-0.1 -0.414 118.0 7.1 -53.7 132.6 34.4 40.4 38.9 18 90 A S T 3 S+ 0 0 28 51,-2.6 2,-0.5 48,-0.2 -1,-0.3 0.662 101.2 117.6 67.4 17.1 34.1 40.3 35.1 19 91 A V B < -F 16 0B 12 -3,-1.7 -3,-0.5 516,-0.1 -4,-0.3 -0.975 54.8-147.2-118.6 121.3 33.8 44.0 34.7 20 92 A L - 0 0 6 -2,-0.5 3,-0.1 -6,-0.1 2,-0.1 -0.691 19.9-117.4 -88.8 133.8 36.6 45.7 32.7 21 93 A P > - 0 0 16 0, 0.0 3,-1.6 0, 0.0 -7,-0.1 -0.396 43.7 -83.5 -65.7 147.4 37.6 49.3 33.7 22 94 A D T 3 S+ 0 0 149 1,-0.2 56,-0.0 -2,-0.1 0, 0.0 -0.144 116.9 28.0 -48.0 135.6 37.1 52.1 31.1 23 95 A G T 3 S+ 0 0 51 1,-0.2 55,-1.6 54,-0.1 -1,-0.2 0.437 82.5 167.6 90.6 0.8 40.0 52.3 28.6 24 96 A F B < -B 77 0A 10 -3,-1.6 2,-0.5 53,-0.2 53,-0.3 -0.121 37.3-118.7 -48.6 140.0 40.9 48.5 28.9 25 97 A Y - 0 0 42 51,-2.3 2,-0.5 27,-0.2 27,-0.3 -0.747 19.3-141.6 -82.6 127.4 43.3 47.3 26.2 26 98 A S - 0 0 40 -2,-0.5 25,-0.2 25,-0.1 2,-0.1 -0.816 25.7-126.9 -88.7 124.2 41.9 44.5 23.9 27 99 A T - 0 0 10 23,-2.8 22,-1.6 -2,-0.5 23,-0.2 -0.357 9.0-140.9 -73.7 150.4 44.6 42.0 23.2 28 100 A T - 0 0 46 20,-0.2 19,-0.6 2,-0.2 22,-0.1 -0.259 35.4-106.0 -79.3-177.1 45.7 40.7 19.8 29 101 A N S S+ 0 0 17 17,-0.1 252,-2.4 -2,-0.1 253,-0.3 0.300 90.2 107.0 -90.2 7.2 46.5 37.0 19.4 30 102 A H S S- 0 0 39 250,-0.2 17,-0.3 251,-0.1 -2,-0.2 -0.539 87.7 -90.0 -89.8 148.4 50.3 38.0 19.4 31 103 A P - 0 0 33 0, 0.0 54,-3.3 0, 0.0 2,-0.3 -0.375 55.1-160.6 -50.4 126.3 53.0 37.6 22.0 32 104 A T E -G 84 0C 6 11,-0.5 11,-2.8 52,-0.2 2,-0.3 -0.926 15.6-162.7-121.8 145.9 52.7 40.8 24.0 33 105 A H E -GH 83 42C 41 50,-3.1 50,-3.2 -2,-0.3 2,-0.4 -0.954 6.1-162.8-122.6 141.6 55.1 42.7 26.4 34 106 A V E -GH 82 41C 0 7,-2.6 7,-3.7 -2,-0.3 2,-0.6 -0.980 18.1-129.2-128.4 140.4 54.1 45.4 29.0 35 107 A K E + H 0 40C 36 46,-1.8 -26,-2.9 -2,-0.4 2,-0.4 -0.801 33.0 171.9 -92.7 118.3 56.4 47.9 30.8 36 108 A V E > - H 0 39C 12 3,-3.0 3,-2.2 -2,-0.6 -26,-0.1 -0.996 66.9 -11.1-131.6 129.7 55.8 47.9 34.5 37 109 A N T 3 S- 0 0 103 -2,-0.4 -1,-0.2 1,-0.3 3,-0.1 0.905 130.2 -53.5 42.4 50.3 58.0 49.8 37.0 38 110 A D T 3 S+ 0 0 121 1,-0.1 2,-0.4 -3,-0.1 -1,-0.3 0.480 120.6 101.8 70.6 8.5 60.6 50.4 34.3 39 111 A E E < S-H 36 0C 109 -3,-2.2 -3,-3.0 -5,-0.0 2,-0.4 -0.979 72.6-121.1-126.2 135.4 60.9 46.7 33.3 40 112 A W E -H 35 0C 93 -2,-0.4 2,-0.4 -5,-0.3 -5,-0.3 -0.593 26.7-159.4 -73.5 121.4 59.4 44.9 30.3 41 113 A I E -H 34 0C 14 -7,-3.7 -7,-2.6 -2,-0.4 2,-0.5 -0.872 15.3-131.7-103.1 132.9 57.2 42.0 31.4 42 114 A E E -H 33 0C 146 -2,-0.4 19,-0.5 -9,-0.2 2,-0.5 -0.757 26.6-130.2 -84.9 122.3 56.4 39.2 29.0 43 115 A V E -c 61 0A 8 -11,-2.8 -11,-0.5 -2,-0.5 19,-0.3 -0.643 23.1-126.7 -82.3 125.0 52.6 38.6 29.1 44 116 A A E S+c 62 0A 42 17,-2.9 19,-2.4 -2,-0.5 -1,-0.1 -0.397 75.1 10.5 -72.9 142.7 51.7 34.9 29.6 45 117 A N S S- 0 0 73 17,-0.2 -1,-0.2 1,-0.1 18,-0.0 0.944 77.5-138.2 69.1 61.8 49.3 33.0 27.3 46 118 A P + 0 0 16 0, 0.0 2,-0.3 0, 0.0 -17,-0.1 -0.161 37.0 155.3 -56.4 141.5 48.7 35.2 24.3 47 119 A K - 0 0 3 -19,-0.6 3,-0.4 -17,-0.3 -17,-0.1 -0.909 37.6-118.9-165.5 136.4 45.0 35.2 23.2 48 120 A X S S+ 0 0 35 229,-0.4 -20,-0.2 231,-0.3 -19,-0.1 -0.356 90.0 32.6 -73.5 164.1 42.9 37.6 21.3 49 121 A D S S+ 0 0 80 -22,-1.6 17,-0.4 1,-0.2 2,-0.3 0.881 99.0 101.3 56.9 42.7 39.8 39.3 22.7 50 122 A A - 0 0 5 -3,-0.4 -23,-2.8 -23,-0.2 2,-0.3 -0.832 65.7-119.3-137.7 179.9 41.1 39.4 26.2 51 123 A V E -D 64 0A 2 13,-2.7 13,-3.1 -2,-0.3 2,-0.5 -0.736 25.5-115.0-114.1 172.6 42.6 41.9 28.6 52 124 A I E -D 63 0A 0 -27,-0.3 24,-2.9 24,-0.3 2,-0.4 -0.955 22.8-159.4-112.1 123.4 46.0 41.9 30.3 53 125 A V E -DE 62 75A 0 9,-2.7 9,-2.3 -2,-0.5 2,-0.4 -0.873 12.1-152.1-100.8 133.3 46.1 41.6 34.1 54 126 A V E -DE 61 74A 2 20,-3.0 20,-0.7 -2,-0.4 7,-0.2 -0.860 18.5-167.2-114.2 141.6 49.3 42.7 35.8 55 127 A Y E > > -D 60 0A 37 5,-3.0 5,-1.7 -2,-0.4 3,-0.9 -0.829 14.3-178.0-121.5 81.5 50.9 41.6 39.1 56 128 A P G > 5S+ 0 0 29 0, 0.0 3,-1.1 0, 0.0 -1,-0.1 0.863 78.5 50.4 -58.4 -38.5 53.5 44.3 39.6 57 129 A E G 3 5S+ 0 0 191 1,-0.3 -2,-0.0 2,-0.1 0, 0.0 0.721 113.9 45.4 -75.8 -20.6 55.0 42.9 42.8 58 130 A E G < 5S- 0 0 119 -3,-0.9 -1,-0.3 2,-0.2 3,-0.1 0.386 106.3-130.2 -93.9 1.2 55.4 39.5 41.2 59 131 A K T < 5 + 0 0 132 -3,-1.1 2,-0.3 -4,-0.5 -2,-0.1 0.871 69.8 115.2 45.0 44.1 56.8 41.1 38.0 60 132 A R E < - D 0 55A 102 -5,-1.7 -5,-3.0 -19,-0.1 2,-0.3 -0.932 43.2-174.1-138.4 163.3 54.4 39.0 36.0 61 133 A A E -cD 43 54A 2 -19,-0.5 -17,-2.9 -2,-0.3 2,-0.3 -0.983 5.1-170.0-154.5 145.3 51.4 39.5 33.7 62 134 A E E -cD 44 53A 43 -9,-2.3 -9,-2.7 -2,-0.3 2,-0.4 -0.975 29.3-107.0-140.8 156.7 48.9 37.3 32.0 63 135 A T E - D 0 52A 8 -19,-2.4 2,-0.4 -2,-0.3 -11,-0.2 -0.684 38.8-174.8 -76.1 127.4 46.1 37.4 29.4 64 136 A K E - D 0 51A 25 -13,-3.1 -13,-2.7 -2,-0.4 2,-0.1 -0.988 20.4-136.7-126.7 127.0 42.6 37.0 31.0 65 137 A V > - 0 0 1 -2,-0.4 3,-2.0 -15,-0.2 4,-0.5 -0.461 39.0-101.5 -70.0 156.2 39.3 36.7 29.2 66 138 A I G > S+ 0 0 3 -17,-0.4 3,-1.6 1,-0.3 -48,-0.2 0.816 119.0 60.0 -49.9 -41.7 36.6 38.9 30.7 67 139 A R G 3 S+ 0 0 44 506,-1.5 -1,-0.3 1,-0.3 507,-0.1 0.686 106.7 48.2 -66.2 -19.3 34.9 36.0 32.6 68 140 A K G < S+ 0 0 66 -3,-2.0 -1,-0.3 -51,-0.1 2,-0.2 0.436 83.5 113.5 -98.1 -4.0 38.1 35.3 34.6 69 141 A V < - 0 0 0 -3,-1.6 -51,-2.6 -4,-0.5 2,-0.3 -0.537 53.5-156.6 -69.9 132.5 38.8 39.0 35.5 70 142 A K > - 0 0 109 -53,-0.3 3,-2.6 -2,-0.2 -56,-0.4 -0.879 27.9 -88.6-113.5 145.5 38.4 39.5 39.3 71 143 A K T 3 S+ 0 0 147 -2,-0.3 -56,-0.2 1,-0.3 -54,-0.1 -0.224 117.4 23.0 -42.4 124.8 37.7 42.6 41.5 72 144 A G T 3 S+ 0 0 43 -58,-3.0 -1,-0.3 1,-0.3 -57,-0.1 0.097 85.1 138.4 96.6 -22.2 41.0 44.2 42.2 73 145 A D < - 0 0 23 -3,-2.6 -59,-2.0 -60,-0.1 2,-1.1 -0.348 60.1-121.3 -54.6 131.5 42.9 42.7 39.3 74 146 A F E -AE 13 54A 88 -20,-0.7 -20,-3.0 -61,-0.2 2,-0.3 -0.678 33.3-162.5 -81.0 103.6 45.1 45.4 37.7 75 147 A V E -AE 12 53A 0 -63,-2.9 -63,-2.5 -2,-1.1 2,-0.3 -0.684 21.5-115.3 -88.9 133.1 43.9 45.6 34.1 76 148 A L E +A 11 0A 0 -24,-2.9 -51,-2.3 -2,-0.3 -24,-0.3 -0.536 44.3 173.3 -66.8 128.1 46.1 47.2 31.5 77 149 A I E +AB 10 24A 26 -67,-2.9 -67,-0.6 -2,-0.3 3,-0.4 -0.754 32.9 16.5-125.6 171.8 44.4 50.4 30.1 78 150 A G S S- 0 0 32 -55,-1.6 -69,-0.1 -2,-0.2 -55,-0.0 -0.161 91.1 -65.4 73.2-150.6 45.4 53.2 27.8 79 151 A H S S+ 0 0 135 -54,-0.1 3,-0.3 2,-0.0 2,-0.3 0.307 86.5 104.8-133.2 1.5 48.2 53.5 25.3 80 152 A N S S+ 0 0 18 -3,-0.4 -70,-0.4 1,-0.2 -75,-0.2 -0.736 80.0 5.3 -96.1 141.9 51.5 53.4 27.2 81 153 A G S S+ 0 0 0 -77,-2.7 -46,-1.8 -2,-0.3 2,-0.5 0.811 81.4 138.3 70.1 35.7 54.1 50.6 27.5 82 154 A I E -G 34 0C 27 -3,-0.3 2,-0.5 -48,-0.2 -48,-0.2 -0.967 26.1-178.8-119.0 119.2 52.5 48.0 25.2 83 155 A R E -G 33 0C 90 -50,-3.2 -50,-3.1 -2,-0.5 2,-0.4 -0.975 8.2-162.7-121.4 118.7 54.8 46.1 22.9 84 156 A V E -G 32 0C 50 -2,-0.5 -52,-0.2 -52,-0.2 -2,-0.0 -0.854 2.1-160.6-101.7 133.1 53.2 43.5 20.5 85 157 A X - 0 0 70 -54,-3.3 3,-0.1 -2,-0.4 -2,-0.0 -0.743 6.3-166.3-116.1 82.7 55.5 40.9 18.9 86 158 A P - 0 0 79 0, 0.0 -56,-0.0 0, 0.0 196,-0.0 -0.372 36.1 -96.5 -66.2 148.1 54.0 39.3 15.8 87 159 A P 0 0 44 0, 0.0 -57,-0.0 0, 0.0 194,-0.0 -0.333 360.0 360.0 -62.0 148.8 55.7 36.1 14.5 88 160 A E 0 0 238 -3,-0.1 -3,-0.0 -2,-0.0 0, 0.0 -0.063 360.0 360.0 -47.6 360.0 58.3 36.7 11.7 89 ! 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 90 174 A S 0 0 165 0, 0.0 2,-0.2 0, 0.0 218,-0.0 0.000 360.0 360.0 360.0 -1.7 44.4 33.6 -0.8 91 175 A E - 0 0 168 1,-0.1 2,-0.4 2,-0.0 205,-0.0 -0.504 360.0-112.8 -66.4 134.0 40.8 34.0 -2.1 92 176 A V + 0 0 38 -2,-0.2 2,-0.3 217,-0.1 -1,-0.1 -0.574 57.4 142.0 -76.5 122.6 38.7 31.2 -0.6 93 177 A S - 0 0 42 -2,-0.4 217,-0.5 215,-0.2 215,-0.0 -0.951 53.1-143.5-158.4 142.7 37.5 28.8 -3.3 94 178 A S S S+ 0 0 56 -2,-0.3 2,-1.5 1,-0.2 4,-0.1 0.580 88.1 87.2 -74.9 -12.5 37.0 25.1 -3.8 95 179 A E + 0 0 175 2,-0.1 -1,-0.2 -3,-0.0 0, 0.0 -0.527 65.0 105.0 -94.2 67.5 38.2 25.5 -7.4 96 180 A K S S- 0 0 92 -2,-1.5 2,-0.3 214,-0.2 5,-0.0 -0.955 87.7 -79.5-141.9 150.9 41.9 25.0 -6.7 97 181 A P > - 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0 0 144 -5,-0.3 -5,-3.0 1,-0.0 -1,-0.2 -0.795 63.7-113.2-100.7 142.9 23.7 1.6 3.3 182 266 A P B -P 175 0E 107 0, 0.0 2,-0.5 0, 0.0 -7,-0.2 -0.420 25.5-133.5 -71.7 147.7 21.3 2.0 6.3 183 267 A V > - 0 0 59 -9,-2.7 3,-2.6 -2,-0.1 4,-0.2 -0.890 29.8-104.0-101.5 133.1 21.0 -0.9 8.6 184 268 A T T 3 S+ 0 0 143 -2,-0.5 -10,-0.0 1,-0.3 -1,-0.0 -0.328 109.1 9.2 -57.0 129.9 17.4 -1.8 9.7 185 269 A G T > S+ 0 0 27 1,-0.1 3,-1.7 -2,-0.0 -1,-0.3 0.553 89.7 137.7 73.9 6.6 16.8 -0.6 13.2 186 270 A G G X + 0 0 4 -3,-2.6 3,-1.4 1,-0.3 4,-0.4 0.655 46.5 83.8 -61.1 -18.5 20.1 1.3 13.0 187 271 A H G 3 S+ 0 0 77 1,-0.2 4,-0.3 -4,-0.2 -1,-0.3 0.723 90.0 52.8 -56.9 -22.4 18.7 4.4 14.7 188 272 A K G X> S+ 0 0 36 -3,-1.7 4,-2.4 1,-0.2 3,-0.6 0.678 84.2 88.5 -86.8 -16.5 19.3 2.7 18.1 189 273 A H H <> S+ 0 0 36 -3,-1.4 4,-2.3 -4,-0.3 -1,-0.2 0.840 85.2 50.3 -55.6 -43.2 23.0 1.9 17.4 190 274 A H H 3> S+ 0 0 2 -4,-0.4 4,-2.1 2,-0.2 -1,-0.3 0.856 111.4 48.2 -67.5 -34.4 24.5 5.2 18.7 191 275 A I H <> S+ 0 0 2 -3,-0.6 4,-3.0 -4,-0.3 -2,-0.2 0.888 110.6 52.4 -70.8 -38.1 22.5 5.0 22.0 192 276 A Y H X S+ 0 0 36 -4,-2.4 4,-2.4 2,-0.2 -2,-0.2 0.895 108.5 51.7 -58.7 -39.7 23.7 1.4 22.3 193 277 A A H X S+ 0 0 1 -4,-2.3 4,-1.9 -5,-0.2 -2,-0.2 0.938 110.3 47.2 -62.8 -46.7 27.3 2.7 21.8 194 278 A I H X S+ 0 0 0 -4,-2.1 4,-2.7 2,-0.2 3,-0.2 0.947 112.2 50.9 -57.0 -48.2 26.8 5.3 24.6 195 279 A N H X S+ 0 0 17 -4,-3.0 4,-2.4 1,-0.2 -2,-0.2 0.894 107.2 53.9 -57.0 -42.8 25.3 2.6 26.8 196 280 A A H X S+ 0 0 25 -4,-2.4 4,-1.9 1,-0.2 -1,-0.2 0.866 111.6 44.5 -60.8 -40.8 28.3 0.3 26.2 197 281 A I H X S+ 0 0 1 -4,-1.9 4,-2.5 -3,-0.2 -2,-0.2 0.898 110.5 54.2 -71.7 -40.1 30.7 3.1 27.3 198 282 A N H < S+ 0 0 23 -4,-2.7 -2,-0.2 2,-0.2 -1,-0.2 0.884 111.0 47.2 -57.4 -41.2 28.6 3.9 30.3 199 283 A D H < S+ 0 0 84 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.905 111.3 49.3 -67.5 -42.8 28.8 0.2 31.3 200 284 A A H < S- 0 0 25 -4,-1.9 -2,-0.2 -5,-0.2 -1,-0.2 0.855 112.9-124.1 -64.6 -32.8 32.5 0.1 30.7 201 285 A G S < S- 0 0 34 -4,-2.5 2,-0.3 -5,-0.1 -3,-0.1 -0.162 71.7 -14.1 117.9 -38.2 32.8 3.3 32.8 202 286 A N S > S- 0 0 53 -5,-0.2 4,-1.9 38,-0.1 5,-0.1 -0.928 82.2 -81.9-175.8 175.6 34.6 5.5 30.3 203 287 A I H > S+ 0 0 0 -2,-0.3 4,-2.5 1,-0.2 5,-0.2 0.892 123.3 55.9 -61.9 -45.3 36.5 5.2 27.0 204 288 A K H > S+ 0 0 86 1,-0.2 4,-3.2 2,-0.2 -1,-0.2 0.908 109.9 46.5 -52.7 -48.1 39.8 4.2 28.7 205 289 A N H > S+ 0 0 66 2,-0.2 4,-2.6 1,-0.2 6,-0.3 0.881 109.7 54.2 -62.0 -41.3 38.1 1.2 30.4 206 290 A A H <>S+ 0 0 0 -4,-1.9 6,-1.9 1,-0.2 5,-1.8 0.912 114.8 40.7 -61.7 -42.3 36.4 0.2 27.2 207 291 A V H ><5S+ 0 0 6 -4,-2.5 3,-1.3 4,-0.2 -2,-0.2 0.937 115.3 48.1 -70.2 -50.0 39.7 0.1 25.5 208 292 A E H 3<5S+ 0 0 125 -4,-3.2 -2,-0.2 1,-0.3 -3,-0.2 0.877 114.3 48.4 -61.5 -34.1 41.8 -1.5 28.3 209 293 A S T 3<5S- 0 0 82 -4,-2.6 -1,-0.3 -5,-0.2 -2,-0.2 0.464 114.7-115.4 -82.4 -3.6 39.0 -4.2 28.7 210 294 A G T < 5S+ 0 0 30 -3,-1.3 -3,-0.2 -4,-0.3 3,-0.1 0.663 83.8 119.3 73.6 15.8 38.8 -5.0 25.0 211 295 A V S S- 0 0 13 -2,-0.3 4,-2.6 1,-0.2 5,-0.2 -0.408 87.0 -48.5 111.2-174.3 39.0 3.5 15.7 216 300 A I H > S+ 0 0 0 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.936 131.1 43.8 -63.3 -53.5 40.0 7.0 16.6 217 301 A X H > S+ 0 0 0 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.911 114.3 53.2 -60.7 -43.2 39.3 6.9 20.4 218 302 A Y H > S+ 0 0 47 -4,-0.3 4,-2.8 1,-0.2 -2,-0.2 0.939 109.2 48.0 -52.6 -53.6 40.9 3.5 20.6 219 303 A Q H X S+ 0 0 23 -4,-2.6 4,-2.1 1,-0.2 -1,-0.2 0.843 109.2 54.2 -60.7 -34.4 44.1 4.8 18.9 220 304 A C H <>S+ 0 0 1 -4,-2.1 5,-2.8 2,-0.2 4,-0.4 0.936 111.8 43.5 -63.7 -49.7 44.2 7.8 21.3 221 305 A I H ><5S+ 0 0 21 -4,-2.4 3,-1.4 3,-0.2 -2,-0.2 0.962 115.7 48.7 -60.0 -49.0 44.1 5.5 24.3 222 306 A K H 3<5S+ 0 0 119 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.827 119.5 37.4 -64.2 -33.6 46.6 3.1 22.8 223 307 A N T 3<5S- 0 0 62 -4,-2.1 -1,-0.3 -5,-0.2 -2,-0.2 0.251 110.1-116.4-102.6 11.9 49.0 5.8 21.9 224 308 A N T < 5 + 0 0 137 -3,-1.4 -3,-0.2 -4,-0.4 -4,-0.1 0.881 56.2 160.5 54.8 43.7 48.5 8.0 24.9 225 309 A I < - 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0 0 133 -5,-0.3 -5,-3.2 1,-0.0 -1,-0.2 -0.872 66.7-112.7-110.7 144.4 28.1 50.3 7.1 519 266 B P B -G 512 0K 105 0, 0.0 2,-0.3 0, 0.0 -7,-0.2 -0.377 32.9-140.1 -65.3 147.9 30.9 49.7 9.6 520 267 B V > - 0 0 49 -9,-2.0 3,-2.4 -2,-0.1 4,-0.3 -0.858 28.6 -89.3-111.1 152.0 31.2 52.5 12.1 521 268 B T T 3 S+ 0 0 147 -2,-0.3 -10,-0.0 1,-0.3 -1,-0.0 -0.366 115.6 4.8 -59.2 128.0 34.6 53.9 13.5 522 269 B G T > S+ 0 0 35 1,-0.1 3,-2.0 -2,-0.1 4,-0.4 0.543 88.7 134.7 72.8 6.8 35.5 51.8 16.6 523 270 B G G X> + 0 0 1 -3,-2.4 3,-1.4 1,-0.3 4,-0.5 0.750 56.3 75.0 -59.7 -23.5 32.5 49.5 16.0 524 271 B H G 34 S+ 0 0 156 -4,-0.3 4,-0.4 1,-0.3 -1,-0.3 0.707 95.1 52.4 -62.3 -19.6 34.8 46.4 16.7 525 272 B K G <> S+ 0 0 36 -3,-2.0 4,-2.4 1,-0.1 -1,-0.3 0.629 85.6 84.6 -88.1 -15.9 34.6 47.4 20.4 526 273 B H H <> S+ 0 0 29 -3,-1.4 4,-2.3 -4,-0.4 5,-0.2 0.844 84.6 55.8 -62.5 -37.4 30.8 47.6 20.7 527 274 B H H X S+ 0 0 50 -4,-0.5 4,-2.1 2,-0.2 -1,-0.2 0.961 112.2 40.8 -60.7 -51.5 30.3 43.9 21.3 528 275 B I H > S+ 0 0 28 -4,-0.4 4,-3.0 1,-0.2 5,-0.2 0.882 112.9 56.4 -63.4 -35.6 32.6 43.7 24.3 529 276 B Y H X S+ 0 0 86 -4,-2.4 4,-2.2 1,-0.2 -1,-0.2 0.912 107.9 49.1 -60.6 -39.2 31.2 47.0 25.5 530 277 B A H X S+ 0 0 0 -4,-2.3 4,-1.7 -5,-0.2 -2,-0.2 0.911 112.2 45.7 -67.6 -41.4 27.8 45.4 25.4 531 278 B I H X S+ 0 0 4 -4,-2.1 4,-2.8 2,-0.2 5,-0.2 0.941 112.4 52.5 -63.7 -46.0 28.9 42.3 27.4 532 279 B N H X S+ 0 0 19 -4,-3.0 4,-2.7 1,-0.2 -2,-0.2 0.906 107.6 52.8 -56.6 -41.3 30.8 44.6 29.9 533 280 B A H X S+ 0 0 24 -4,-2.2 4,-2.4 -5,-0.2 -1,-0.2 0.891 111.8 43.8 -64.1 -39.4 27.6 46.6 30.4 534 281 B I H X S+ 0 0 1 -4,-1.7 4,-2.1 2,-0.2 5,-0.4 0.906 112.2 52.0 -75.1 -42.4 25.5 43.6 31.2 535 282 B N H < S+ 0 0 16 -4,-2.8 -2,-0.2 2,-0.2 -1,-0.2 0.935 112.5 48.1 -53.6 -46.2 28.2 42.1 33.5 536 283 B D H < S+ 0 0 74 -4,-2.7 -2,-0.2 1,-0.2 -1,-0.2 0.924 111.2 48.5 -61.1 -47.4 28.2 45.5 35.3 537 284 B A H < S- 0 0 27 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.830 111.7-124.3 -62.2 -33.7 24.4 45.6 35.6 538 285 B G S < S- 0 0 30 -4,-2.1 2,-0.3 -5,-0.1 -3,-0.1 0.020 73.5 -8.8 112.3 -28.7 24.5 42.0 36.9 539 286 B N S > S- 0 0 50 -5,-0.4 4,-1.5 1,-0.1 5,-0.1 -0.921 83.1 -85.0-178.5 175.5 22.1 40.4 34.4 540 287 B I H > S+ 0 0 0 -2,-0.3 4,-1.9 2,-0.2 5,-0.2 0.936 123.3 54.8 -62.6 -48.8 19.7 41.5 31.6 541 288 B K H > S+ 0 0 109 1,-0.2 4,-2.8 2,-0.2 -1,-0.2 0.896 108.3 49.2 -51.3 -46.3 16.8 42.2 33.9 542 289 B N H > S+ 0 0 64 1,-0.2 4,-2.7 2,-0.2 6,-0.2 0.864 108.7 53.2 -61.6 -41.8 18.9 44.5 36.0 543 290 B A H <>S+ 0 0 0 -4,-1.5 6,-2.3 2,-0.2 5,-1.2 0.809 111.3 45.8 -62.3 -34.9 20.1 46.4 32.9 544 291 B V H ><5S+ 0 0 12 -4,-1.9 3,-1.6 4,-0.2 -2,-0.2 0.940 113.1 49.9 -71.1 -47.8 16.5 46.9 31.8 545 292 B E H 3<5S+ 0 0 137 -4,-2.8 -2,-0.2 1,-0.3 -3,-0.2 0.859 110.2 51.1 -59.1 -38.0 15.5 48.0 35.4 546 293 B S T 3<5S- 0 0 75 -4,-2.7 -1,-0.3 -5,-0.2 -2,-0.2 0.499 114.1-115.7 -74.6 -5.6 18.4 50.5 35.4 547 294 B G T < 5S+ 0 0 41 -3,-1.6 -3,-0.2 2,-0.2 -2,-0.1 0.510 87.3 115.0 77.3 5.2 17.4 52.1 32.1 548 295 B V S S- 0 0 14 -2,-0.3 4,-2.4 1,-0.2 5,-0.1 -0.483 85.7 -52.1 111.1-176.4 15.5 45.0 21.4 553 300 B I H > S+ 0 0 0 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.936 131.6 44.1 -65.9 -51.0 14.6 41.3 21.8 554 301 B X H > S+ 0 0 1 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.916 113.3 54.0 -65.9 -41.7 15.9 40.7 25.3 555 302 B Y H > S+ 0 0 50 -4,-0.3 4,-2.8 1,-0.2 5,-0.2 0.943 108.5 48.4 -51.8 -51.9 14.3 44.0 26.5 556 303 B Q H X S+ 0 0 24 -4,-2.4 4,-1.8 1,-0.2 -1,-0.2 0.828 108.2 54.7 -62.6 -31.7 11.0 42.9 25.1 557 304 B C H X>S+ 0 0 1 -4,-1.8 5,-2.5 2,-0.2 4,-0.6 0.923 110.5 46.2 -64.9 -46.5 11.3 39.5 26.8 558 305 B I H ><5S+ 0 0 29 -4,-2.3 3,-1.1 3,-0.2 -2,-0.2 0.960 115.1 46.6 -56.3 -51.7 11.9 41.3 30.2 559 306 B K H 3<5S+ 0 0 113 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.803 120.3 37.7 -64.6 -31.7 9.0 43.7 29.6 560 307 B N H 3<5S- 0 0 67 -4,-1.8 -1,-0.3 -5,-0.2 -2,-0.2 0.307 108.2-118.3-106.6 9.0 6.6 41.0 28.5 561 308 B N T <<5 + 0 0 145 -3,-1.1 -3,-0.2 -4,-0.6 -4,-0.1 0.886 54.3 161.8 52.9 45.6 7.7 38.3 30.9 562 309 B I < - 0 0 17 -5,-2.5 -1,-0.2 -6,-0.2 -73,-0.2 -0.866 35.8-129.9 -93.8 121.2 8.8 35.9 28.1 563 310 B P - 0 0 73 0, 0.0 -73,-1.6 0, 0.0 2,-0.3 -0.388 26.9-172.9 -70.7 147.7 11.1 33.3 29.4 564 311 B Y E -b 490 0J 37 -75,-0.2 2,-0.5 -2,-0.1 -73,-0.2 -0.954 16.8-150.9-135.3 158.4 14.4 32.6 27.5 565 312 B V E -b 491 0J 3 -75,-2.4 -73,-2.5 -2,-0.3 2,-0.7 -0.985 9.0-166.3-129.6 118.1 17.1 30.1 27.8 566 313 B L E -b 492 0J 2 12,-0.5 14,-3.1 -2,-0.5 2,-0.5 -0.933 11.2-154.9-107.1 111.6 20.6 31.1 26.8 567 314 B A E -bc 493 580J 3 -75,-2.7 -73,-0.6 -2,-0.7 14,-0.2 -0.745 13.3-129.9 -89.5 127.9 22.9 28.1 26.5 568 315 B G - 0 0 6 12,-3.4 2,-0.3 -2,-0.5 -335,-0.2 -0.333 25.1-165.8 -68.3 154.4 26.6 28.7 26.9 569 316 B S > - 0 0 12 -337,-0.1 3,-2.0 -2,-0.0 -337,-0.1 -0.961 36.8-106.3-140.2 159.3 29.0 27.4 24.3 570 317 B I T 3 S+ 0 0 6 -2,-0.3 -2,-0.0 1,-0.3 -338,-0.0 0.650 115.2 66.3 -60.4 -16.5 32.8 26.8 24.1 571 318 B R T 3 S+ 0 0 72 1,-0.0 2,-0.8 2,-0.0 -1,-0.3 0.595 78.0 102.4 -77.3 -14.5 33.0 29.9 21.8 572 319 B D < + 0 0 3 -3,-2.0 -322,-0.1 1,-0.2 -1,-0.0 -0.642 32.3 163.2 -76.3 106.5 32.0 32.3 24.6 573 320 B D S S+ 0 0 31 -2,-0.8 -506,-1.5 1,-0.2 -1,-0.2 0.722 86.2 31.6 -84.5 -22.8 34.9 34.3 26.2 574 321 B G S S+ 0 0 1 -508,-0.2 -1,-0.2 -507,-0.1 2,-0.2 -0.503 75.6 176.3-131.7 67.1 32.4 36.7 27.7 575 322 B P - 0 0 18 0, 0.0 -7,-0.0 0, 0.0 6,-0.0 -0.529 31.3-123.7 -73.1 141.2 29.1 35.0 28.5 576 323 B I > - 0 0 3 -2,-0.2 3,-2.0 1,-0.1 -44,-0.1 -0.297 31.0 -98.7 -75.3 163.3 26.7 37.3 30.3 577 324 B P T 3 S+ 0 0 65 0, 0.0 -38,-0.1 0, 0.0 -1,-0.1 0.811 119.2 63.9 -60.1 -26.5 25.4 36.3 33.7 578 325 B D T 3 S+ 0 0 39 2,-0.1 -12,-0.5 -84,-0.0 2,-0.2 0.667 80.4 106.4 -66.6 -16.7 22.1 34.9 32.2 579 326 B V < - 0 0 14 -3,-2.0 2,-0.8 -14,-0.1 -12,-0.2 -0.442 67.4-138.9 -73.7 133.3 23.9 32.2 30.2 580 327 B I B -c 567 0J 32 -14,-3.1 -12,-3.4 -2,-0.2 6,-0.1 -0.849 17.1-169.7 -88.5 110.3 23.7 28.6 31.4 581 328 B T + 0 0 43 -2,-0.8 -335,-2.7 -14,-0.2 2,-0.6 0.738 62.5 81.6 -79.7 -21.6 27.2 27.3 31.0 582 329 B D B > -Q 245 0F 34 -337,-0.3 4,-2.5 1,-0.2 -337,-0.3 -0.731 69.4-151.7 -88.2 121.7 26.5 23.6 31.6 583 330 B S H > S+ 0 0 1 -339,-2.8 4,-2.6 -2,-0.6 -1,-0.2 0.820 92.7 49.7 -65.5 -30.0 25.2 22.0 28.5 584 331 B X H > S+ 0 0 10 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.905 111.3 48.1 -76.4 -38.3 23.1 19.3 30.2 585 332 B V H > S+ 0 0 84 2,-0.2 4,-2.0 1,-0.2 -2,-0.2 0.938 115.6 46.9 -59.7 -46.1 21.4 21.8 32.6 586 333 B A H X S+ 0 0 0 -4,-2.5 4,-2.6 1,-0.2 -2,-0.2 0.950 111.2 51.7 -62.0 -46.7 20.7 24.0 29.5 587 334 B Q H X S+ 0 0 9 -4,-2.6 4,-2.4 1,-0.2 -2,-0.2 0.905 108.9 49.3 -55.4 -48.3 19.4 21.0 27.6 588 335 B D H X S+ 0 0 38 -4,-2.6 4,-1.9 1,-0.2 -1,-0.2 0.901 112.1 48.4 -60.3 -42.3 17.0 20.0 30.3 589 336 B K H X S+ 0 0 109 -4,-2.0 4,-1.9 1,-0.2 -1,-0.2 0.887 110.6 51.6 -65.3 -40.7 15.6 23.5 30.6 590 337 B X H X S+ 0 0 1 -4,-2.6 4,-2.2 2,-0.2 5,-0.3 0.901 107.5 53.8 -60.8 -41.7 15.2 23.7 26.8 591 338 B R H X S+ 0 0 26 -4,-2.4 4,-2.2 1,-0.2 -2,-0.2 0.951 110.8 43.1 -61.1 -49.2 13.3 20.5 26.8 592 339 B T H < S+ 0 0 82 -4,-1.9 4,-0.4 1,-0.2 -1,-0.2 0.856 113.3 55.6 -67.6 -31.2 10.7 21.5 29.4 593 340 B T H < S+ 0 0 21 -4,-1.9 3,-0.2 -5,-0.2 -1,-0.2 0.894 118.0 30.2 -66.0 -42.3 10.4 24.9 27.6 594 341 B V H >< S+ 0 0 0 -4,-2.2 3,-2.3 1,-0.2 -2,-0.2 0.757 97.3 81.7 -88.8 -27.0 9.6 23.6 24.2 595 342 B X T 3< S+ 0 0 57 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.1 0.675 96.8 43.8 -67.6 -14.6 7.7 20.4 24.8 596 343 B D T 3 S+ 0 0 95 -4,-0.4 -137,-0.4 -3,-0.2 -1,-0.3 0.336 90.2 111.1-104.8 5.1 4.4 22.1 25.5 597 344 B K < - 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