==== 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 PHOSPHOTRANSFERASE 07-MAR-94 1GLE . COMPND 2 MOLECULE: GLUCOSE-SPECIFIC PROTEIN IIIGLC; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR M.D.FEESE,N.D.MEADOW,S.ROSEMAN,D.W.PETTIGREW,S.J.REMINGTON . 650 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 25130.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 492 75.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 28 4.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 127 19.5 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 3 0.5 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 . 1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 3 0.5 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 . 64 9.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 82 12.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 145 22.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 14 2.2 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 4 1 0 1 3 2 1 0 1 0 1 0 0 0 1 0 0 0 0 0 0 0 1 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 2 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 0 PARALLEL BRIDGES PER LADDER . 4 5 6 5 3 1 3 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 . 3 3 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 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 F G 0 0 126 0, 0.0 2,-0.5 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -44.9 -39.6 32.5 33.0 2 2 F L > - 0 0 87 1,-0.1 3,-0.5 0, 0.0 4,-0.1 -0.922 360.0-163.3-114.5 132.4 -37.2 35.2 34.2 3 3 F F G > + 0 0 160 -2,-0.5 3,-1.2 1,-0.2 -1,-0.1 0.397 64.0 113.1 -86.2 1.3 -37.3 36.8 37.6 4 4 F D G 3 S+ 0 0 80 1,-0.3 -1,-0.2 3,-0.0 4,-0.1 0.743 80.4 49.3 -40.9 -34.4 -35.0 39.6 36.1 5 5 F K G < S+ 0 0 100 -3,-0.5 -1,-0.3 2,-0.1 -2,-0.1 0.856 99.1 82.9 -74.2 -45.0 -38.1 41.8 36.7 6 6 F L S < S- 0 0 119 -3,-1.2 2,-0.2 -4,-0.1 -3,-0.0 -0.121 87.4 -95.2 -63.7 161.0 -38.8 40.8 40.4 7 7 F K - 0 0 105 1,-0.1 2,-0.2 3,-0.0 -1,-0.1 -0.505 39.2-142.9 -82.2 136.6 -37.1 42.1 43.5 8 8 F S - 0 0 89 -2,-0.2 2,-0.4 -4,-0.1 -1,-0.1 -0.524 24.0 -94.9-100.5 169.1 -34.0 40.4 45.0 9 9 F L - 0 0 161 -2,-0.2 2,-0.5 2,-0.0 -1,-0.1 -0.649 43.7-162.9 -76.1 129.1 -32.8 39.7 48.4 10 10 F V 0 0 125 -2,-0.4 144,-0.0 1,-0.1 -1,-0.0 -0.920 360.0 360.0-125.5 110.3 -30.3 42.5 49.2 11 11 F S 0 0 146 -2,-0.5 -1,-0.1 143,-0.0 143,-0.0 0.779 360.0 360.0 -39.5 360.0 -27.7 42.2 52.1 12 ! 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 13 19 F T 0 0 161 0, 0.0 2,-0.4 0, 0.0 148,-0.2 0.000 360.0 360.0 360.0 149.4 -11.5 48.0 53.1 14 20 F I E -A 160 0A 37 146,-2.0 146,-3.4 63,-0.0 2,-0.4 -0.893 360.0-168.9-114.2 141.3 -12.4 46.8 49.6 15 21 F E E -A 159 0A 95 -2,-0.4 2,-0.5 144,-0.3 144,-0.3 -0.971 11.2-149.8-123.7 127.1 -14.4 43.7 48.5 16 22 F I E -A 158 0A 1 142,-4.9 141,-2.4 -2,-0.4 142,-1.5 -0.876 19.3-139.0-104.0 131.5 -14.6 42.5 45.0 17 23 F I E -A 156 0A 29 39,-2.5 93,-0.1 -2,-0.5 135,-0.1 -0.626 25.8 -92.1 -93.5 149.2 -17.8 40.8 44.0 18 24 F A - 0 0 0 137,-2.7 135,-2.8 133,-0.3 136,-0.2 -0.279 35.1-172.5 -54.9 119.1 -18.4 37.7 41.9 19 25 F P S S+ 0 0 0 0, 0.0 35,-4.4 0, 0.0 2,-0.3 0.428 76.6 11.5-100.5 -2.5 -19.0 39.1 38.4 20 26 F L S S- 0 0 0 33,-0.3 2,-0.3 110,-0.1 133,-0.1 -0.902 90.4-106.9-159.9 168.2 -20.0 35.8 37.1 21 27 F S + 0 0 11 29,-0.3 28,-3.1 -2,-0.3 29,-0.4 -0.813 57.8 64.9-120.1 159.8 -20.8 32.5 39.0 22 28 F G E S-CD 48 150B 5 128,-1.5 128,-2.6 -2,-0.3 2,-0.4 -0.988 84.7 -19.1 148.2-147.8 -19.5 29.0 39.9 23 29 F E E -CD 47 149B 104 24,-0.8 24,-2.4 -2,-0.3 126,-0.2 -0.787 63.1-122.6 -97.1 134.8 -16.5 27.6 41.8 24 30 F I E -C 46 0B 15 124,-2.7 2,-0.3 -2,-0.4 22,-0.3 -0.435 31.9-162.1 -73.1 153.2 -13.5 29.9 42.6 25 31 F V E -C 45 0B 36 20,-1.8 20,-2.1 105,-0.1 2,-0.3 -0.968 25.6 -96.7-142.7 156.2 -10.0 28.8 41.4 26 32 F N E > -C 44 0B 90 -2,-0.3 3,-4.1 18,-0.2 4,-0.1 -0.628 27.0-139.7 -73.6 128.5 -6.2 29.4 41.9 27 33 F I G > S+ 0 0 0 16,-0.5 3,-3.8 1,-0.4 -1,-0.2 0.930 104.0 72.0 -49.7 -43.0 -5.0 31.8 39.4 28 34 F E G 3 S+ 0 0 88 1,-0.3 -1,-0.4 8,-0.1 8,-0.1 0.644 89.3 57.5 -45.7 -18.6 -2.2 29.5 39.5 29 35 F D G < S+ 0 0 105 -3,-4.1 -1,-0.3 6,-0.1 -2,-0.2 0.541 73.2 122.3-102.5 8.5 -4.3 26.9 37.7 30 36 F V < - 0 0 6 -3,-3.8 2,-2.6 -4,-0.1 6,-0.4 -0.528 69.4-128.3 -71.4 125.2 -5.1 28.9 34.6 31 37 F P S S+ 0 0 80 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.070 89.1 74.5 -60.3 35.7 -4.0 27.1 31.5 32 38 F D S >> S- 0 0 13 -2,-2.6 4,-2.9 1,-0.1 3,-1.4 -0.832 72.1-143.2-160.3 123.9 -2.2 30.4 30.5 33 39 F V H 3> S+ 0 0 54 -2,-0.3 4,-2.7 1,-0.3 6,-0.6 0.645 95.2 65.5 -52.5 -36.8 0.8 31.9 31.8 34 40 F V H 34>S+ 0 0 2 1,-0.2 6,-2.4 2,-0.2 5,-1.8 0.897 118.7 32.1 -60.4 -26.5 0.0 35.5 31.8 35 41 F F H X45S+ 0 0 0 -3,-1.4 3,-1.1 3,-0.2 -2,-0.3 0.900 116.8 52.0 -86.9 -62.7 -2.5 34.5 34.3 36 42 F A H 3<5S+ 0 0 27 -4,-2.9 -3,-0.2 -6,-0.4 -2,-0.2 0.785 118.7 38.5 -54.1 -33.9 -0.9 31.7 36.1 37 43 F E T 3<5S- 0 0 102 -4,-2.7 -1,-0.3 -5,-0.2 -2,-0.2 0.421 107.7-125.4-101.8 7.4 2.3 33.8 36.7 38 44 F K T < 5 + 0 0 72 -3,-1.1 -3,-0.2 -5,-0.2 -4,-0.1 0.836 62.2 144.9 57.4 35.5 0.3 36.8 37.3 39 45 F I S - 0 0 27 5,-1.9 3,-2.6 -2,-0.4 5,-0.2 -0.249 19.4-128.3 -57.0 133.0 -13.3 43.4 24.0 66 72 F E T 3 S+ 0 0 152 1,-0.3 -1,-0.2 2,-0.1 0, 0.0 0.790 113.9 50.0 -46.0 -38.2 -14.6 43.7 20.5 67 73 F T T 3 S- 0 0 15 31,-0.0 27,-0.3 28,-0.0 -1,-0.3 0.234 112.3-128.7 -92.2 17.9 -15.4 39.9 20.5 68 74 F N S < S+ 0 0 30 -3,-2.6 30,-0.2 1,-0.1 -2,-0.1 0.805 74.3 117.6 32.3 61.3 -17.1 40.7 23.8 69 75 F H S S+ 0 0 0 1,-0.2 16,-2.7 28,-0.1 2,-0.3 0.274 76.4 22.1-126.7 0.2 -15.5 38.0 26.0 70 76 F A E + H 0 84B 0 -5,-0.2 -5,-1.9 14,-0.2 2,-0.3 -0.987 58.8 177.4-162.0 167.0 -13.8 40.2 28.3 71 77 F F E -FH 64 83B 1 12,-1.6 12,-3.4 -2,-0.3 2,-0.3 -0.982 15.1-139.9-167.7 163.1 -13.8 43.6 29.8 72 78 F S E - H 0 82B 21 -9,-2.6 -10,-1.6 -2,-0.3 2,-0.3 -0.868 15.9-169.8-124.2 167.2 -12.2 45.8 32.2 73 79 F I E -FH 61 81B 2 8,-1.8 8,-3.7 -2,-0.3 2,-0.6 -0.973 20.1-134.6-165.3 146.3 -13.3 48.3 34.7 74 80 F E E -FH 60 80B 104 -14,-2.2 -14,-3.5 -2,-0.3 6,-0.2 -0.863 26.5-137.6-100.6 118.7 -12.2 51.0 37.0 75 81 F S E > -F 59 0B 7 4,-2.2 3,-2.5 -2,-0.6 4,-0.4 -0.438 24.0-116.7 -75.1 149.5 -13.7 51.1 40.4 76 82 F D T 3 S+ 0 0 122 -18,-2.8 -17,-0.1 1,-0.3 -1,-0.1 0.764 119.2 62.1 -56.5 -18.3 -14.8 54.3 42.0 77 83 F S T 3 S- 0 0 63 -19,-0.3 -1,-0.3 2,-0.1 -2,-0.1 0.145 124.0-101.6 -93.0 15.8 -12.0 53.3 44.4 78 84 F G S < S+ 0 0 43 -3,-2.5 2,-0.4 1,-0.2 -2,-0.1 0.878 75.8 138.5 66.4 40.8 -9.2 53.3 41.9 79 85 F V - 0 0 2 -4,-0.4 -4,-2.2 56,-0.0 2,-0.7 -0.864 44.9-135.4-115.5 149.8 -9.0 49.6 41.3 80 86 F E E -H 74 0B 69 -2,-0.4 55,-1.5 -6,-0.2 2,-0.6 -0.860 17.9-166.8-113.9 121.7 -8.6 47.9 38.1 81 87 F L E -HI 73 134B 2 -8,-3.7 -8,-1.8 -2,-0.7 2,-0.6 -0.814 8.2-172.9-114.0 141.5 -10.4 45.0 37.0 82 88 F F E -HI 72 133B 0 51,-3.3 51,-2.2 -2,-0.6 2,-0.6 -0.939 1.4-173.8-125.0 125.0 -10.0 42.6 34.4 83 89 F V E +HI 71 132B 2 -12,-3.4 -12,-1.6 -2,-0.6 2,-0.7 -0.892 5.2 179.3-119.5 114.2 -12.3 39.9 33.4 84 90 F H E -H 70 0B 1 47,-2.4 2,-0.9 -2,-0.6 -14,-0.2 -0.906 20.4-141.5-120.9 118.3 -11.4 37.4 30.9 85 91 F F - 0 0 0 -16,-2.7 4,-0.2 -2,-0.7 45,-0.2 -0.634 58.6 -42.6 -79.6 119.6 -13.7 34.9 30.0 86 92 F G S S- 0 0 0 43,-2.1 2,-0.5 -2,-0.9 3,-0.2 -0.058 84.3 -65.1 60.7-174.1 -12.1 31.6 29.3 87 93 F I B S-L 127 0D 14 40,-1.0 40,-0.5 1,-0.2 39,-0.5 -0.957 107.5 -2.9-126.8 128.8 -9.0 31.2 27.5 88 94 F D S > S+ 0 0 47 -2,-0.5 3,-1.4 543,-0.2 -1,-0.2 0.779 81.9 146.7 72.6 27.5 -8.4 31.9 23.8 89 95 F T G > + 0 0 0 1,-0.3 3,-2.9 -3,-0.2 5,-0.3 0.839 47.3 81.8 -66.1 -28.4 -12.0 32.8 23.7 90 96 F V G > S+ 0 0 13 1,-0.3 3,-0.7 2,-0.2 -1,-0.3 0.561 78.5 71.7 -52.6 -11.4 -11.4 35.4 21.1 91 97 F E G < S+ 0 0 83 -3,-1.4 -1,-0.3 1,-0.2 -2,-0.1 0.643 82.2 67.3 -81.6 -15.3 -11.4 32.7 18.4 92 98 F L G X S- 0 0 28 -3,-2.9 3,-1.0 -4,-0.1 -1,-0.2 0.581 101.0-140.3 -77.1 -7.4 -15.1 32.1 18.8 93 99 F K T < - 0 0 149 -3,-0.7 -3,-0.1 -4,-0.3 -2,-0.1 0.691 64.5 -43.8 55.1 31.7 -15.3 35.6 17.3 94 100 F G T 3 S+ 0 0 20 -27,-0.3 2,-0.9 -5,-0.3 3,-0.3 0.438 97.0 139.2 98.0 6.9 -18.2 36.8 19.5 95 101 F E S < S+ 0 0 108 -3,-1.0 -1,-0.2 1,-0.2 3,-0.1 -0.711 72.7 20.3 -89.9 101.8 -20.4 33.8 19.3 96 102 F G S S+ 0 0 17 -2,-0.9 21,-0.5 1,-0.8 2,-0.2 -0.075 110.2 98.3 129.1 -24.2 -22.0 33.0 22.6 97 103 F F E -K 116 0C 16 -3,-0.3 -1,-0.8 19,-0.2 2,-0.3 -0.619 48.3-178.6 -97.6 158.0 -21.4 36.4 23.7 98 104 F K E -K 115 0C 45 17,-1.6 17,-3.5 -30,-0.2 2,-1.0 -0.972 25.0-122.9-165.3 123.8 -23.7 39.2 23.8 99 105 F R E +K 114 0C 91 -2,-0.3 15,-0.2 15,-0.2 17,-0.0 -0.606 31.8 163.5 -81.0 95.2 -23.2 43.0 24.9 100 106 F I + 0 0 72 -2,-1.0 -1,-0.2 13,-0.9 14,-0.2 0.989 66.0 35.8 -76.1 -49.8 -25.4 44.2 27.5 101 107 F A S S- 0 0 10 12,-1.6 2,-0.4 10,-0.1 12,-0.1 -0.183 78.4-114.1 -98.2-175.3 -23.4 47.3 28.4 102 108 F E > - 0 0 50 -2,-0.1 2,-2.9 1,-0.0 3,-1.2 -0.955 29.7-102.7-131.0 144.6 -21.3 49.9 26.7 103 109 F E T 3 S+ 0 0 103 -2,-0.4 -39,-0.1 1,-0.2 -43,-0.0 0.170 112.2 38.9 -44.7 19.0 -17.7 50.8 26.8 104 110 F G T 3 S+ 0 0 51 -2,-2.9 -1,-0.2 2,-0.1 -41,-0.0 0.685 81.0 111.5-142.2 -29.4 -18.3 53.9 28.9 105 111 F Q < - 0 0 87 -3,-1.2 -44,-2.4 -45,-0.1 2,-0.2 -0.002 55.4-124.1 -62.7 160.6 -20.9 53.6 31.7 106 112 F R E -G 60 0B 66 -46,-0.3 2,-0.4 -48,-0.1 -46,-0.3 -0.560 34.9-171.9 -91.0 153.7 -20.7 53.6 35.4 107 113 F V E -G 59 0B 14 -48,-2.7 -48,-1.1 -2,-0.2 2,-0.2 -0.985 22.2-135.2-152.0 162.0 -22.1 50.7 37.2 108 114 F K > - 0 0 18 -2,-0.4 3,-1.1 -50,-0.2 -51,-0.3 -0.403 54.8 -72.1 -99.9-180.0 -23.0 49.5 40.5 109 115 F V T 3 S+ 0 0 44 1,-0.2 -1,-0.2 -2,-0.2 -54,-0.1 -0.504 119.6 25.6 -71.6 151.7 -22.3 46.0 41.5 110 116 F G T 3 S+ 0 0 26 -55,-2.2 -1,-0.2 1,-0.2 3,-0.1 0.140 77.1 141.9 90.4 -25.3 -24.5 43.6 39.8 111 117 F D < - 0 0 69 -3,-1.1 -56,-1.3 -57,-0.1 -1,-0.2 -0.249 61.8-103.3 -58.8 132.8 -25.4 45.5 36.6 112 118 F T E +J 54 0C 44 -58,-0.2 -58,-0.2 1,-0.2 3,-0.1 -0.322 47.9 166.5 -57.9 135.4 -25.5 43.1 33.6 113 119 F V E + 0 0 1 -60,-2.6 -12,-1.6 1,-0.5 -13,-0.9 0.678 60.8 0.2-118.1 -45.2 -22.4 43.5 31.5 114 120 F I E -JK 53 99C 0 -61,-2.7 -61,-3.6 -15,-0.2 -1,-0.5 -0.993 61.9-147.7-147.7 145.7 -22.2 40.7 29.1 115 121 F E E -JK 52 98C 103 -17,-3.5 -17,-1.6 -2,-0.4 2,-0.3 -0.803 21.7-172.0-111.9 157.6 -24.4 37.8 28.6 116 122 F F E - K 0 97C 19 -65,-2.0 2,-0.5 -2,-0.3 -65,-0.2 -0.925 32.8-122.0-150.2 171.4 -23.3 34.4 27.5 117 123 F D >>> - 0 0 79 -21,-0.5 4,-2.3 -2,-0.3 3,-1.0 -0.649 23.9-167.0-116.5 73.8 -24.1 30.9 26.3 118 124 F L T 345S+ 0 0 16 -2,-0.5 -1,-0.1 1,-0.3 -68,-0.0 0.592 83.1 41.5 -39.1 -13.5 -22.5 28.6 28.8 119 125 F P T 3>5S+ 0 0 81 0, 0.0 4,-1.1 0, 0.0 5,-0.3 0.875 107.8 52.4-110.8 -33.9 -22.9 25.6 26.6 120 126 F L H X>5S+ 0 0 35 -3,-1.0 4,-1.6 1,-0.3 3,-0.9 0.970 118.9 44.0 -58.3 -48.8 -22.0 26.7 23.2 121 127 F L H 3X5S+ 0 0 1 -4,-2.3 4,-0.9 1,-0.2 -1,-0.3 0.765 100.4 77.3 -61.5 -27.8 -19.0 27.9 25.0 122 128 F E H 34 + 0 0 25 1,-0.2 3,-2.1 -56,-0.2 4,-0.2 -0.241 61.4 157.7 -78.8 46.4 -2.8 47.8 38.8 137 143 F M T 3 + 0 0 66 -2,-1.4 3,-0.4 1,-0.3 -1,-0.2 0.537 62.9 70.1 -49.9 -10.9 -1.2 45.4 41.5 138 144 F D T 3 S+ 0 0 151 1,-0.2 -1,-0.3 -3,-0.1 -2,-0.1 0.826 92.7 49.2 -81.8 -34.4 1.1 48.3 42.2 139 145 F E S < S+ 0 0 69 -3,-2.1 2,-0.5 -61,-0.1 -1,-0.2 0.249 99.1 89.3 -89.1 13.3 -1.3 50.7 43.9 140 146 F I - 0 0 16 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-4,-1.6 -2,-0.2 -3,-0.2 -1,-0.2 0.759 109.6 48.9 -59.6 -36.1 23.6 19.8 -3.2 278 118 G D H <5S- 0 0 124 -4,-2.6 -2,-0.2 -3,-0.2 -1,-0.2 0.987 118.5-107.9 -71.6 -58.9 27.2 18.9 -2.4 279 119 G G T >X5S+ 0 0 49 -4,-1.9 3,-0.6 -5,-0.1 4,-0.5 0.348 76.9 124.6 141.6 9.1 26.6 18.1 1.4 280 120 G L H 3>< + 0 0 21 -5,-1.2 4,-3.6 1,-0.2 5,-0.4 0.382 44.5 95.9 -74.6 -3.3 28.2 21.0 3.4 281 121 G E H 3> S+ 0 0 46 -6,-0.3 4,-3.3 -5,-0.2 -1,-0.2 0.984 91.8 42.2 -51.0 -55.2 25.2 22.0 5.4 282 122 G D H <> S+ 0 0 126 -3,-0.6 4,-2.0 2,-0.2 -1,-0.2 0.911 118.2 45.1 -57.3 -49.2 26.5 19.9 8.1 283 123 G Y H X S+ 0 0 63 -4,-0.5 4,-1.5 1,-0.2 5,-0.4 0.990 112.7 47.9 -60.7 -60.4 30.0 21.0 7.8 284 124 G I H >X>S+ 0 0 0 -4,-3.6 4,-2.7 2,-0.2 5,-1.0 0.875 111.2 53.2 -48.6 -39.7 29.3 24.6 7.5 285 125 G R H 3X5S+ 0 0 40 -4,-3.3 4,-3.4 -5,-0.4 -1,-0.2 0.954 110.1 46.4 -56.1 -60.1 27.0 24.5 10.4 286 126 G S H 3<5S+ 0 0 69 -4,-2.0 -1,-0.3 1,-0.2 -2,-0.2 0.487 123.8 29.2 -56.3 -26.4 29.6 22.9 12.7 287 127 G N H <<5S+ 0 0 36 -4,-1.5 67,-1.9 -3,-0.7 68,-0.4 0.762 130.7 32.2-114.6 -28.9 32.5 25.0 11.9 288 128 G T H <5S- 0 0 1 -4,-2.7 -3,-0.2 -5,-0.4 -2,-0.2 0.774 85.4-142.8 -91.5 -32.5 31.1 28.3 11.0 289 129 G G S < S- 0 0 4 -2,-0.4 3,-1.9 3,-0.1 -2,-0.1 -0.876 73.5-115.6-173.4 139.3 22.5 31.3 3.0 294 134 G P T 3 S+ 0 0 2 0, 0.0 -26,-0.2 0, 0.0 -27,-0.1 0.600 97.3 92.1 -51.6 -12.4 23.3 34.3 0.9 295 135 G Y T 3 S+ 0 0 1 -4,-0.1 2,-0.2 -29,-0.1 -30,-0.1 0.842 77.7 66.9 -51.8 -41.7 23.2 36.3 4.0 296 136 G F S <> S- 0 0 0 -3,-1.9 4,-0.7 -5,-0.2 53,-0.2 -0.583 87.3-107.6 -96.7 159.4 27.0 35.8 4.6 297 137 G S H >> S+ 0 0 0 51,-0.4 4,-2.3 -2,-0.2 3,-0.5 0.685 96.3 76.1 -41.3 -57.2 30.3 37.0 3.0 298 138 G G H >> S+ 0 0 0 51,-3.8 4,-1.5 1,-0.3 3,-1.5 0.814 101.2 36.1 -22.8 -88.8 31.6 33.7 1.4 299 139 G T H 3> S+ 0 0 0 1,-0.3 4,-2.9 2,-0.2 -1,-0.3 0.762 112.6 59.9 -44.1 -38.3 29.3 33.4 -1.6 300 140 G K H < S+ 0 0 1 -4,-2.2 3,-1.3 1,-0.3 -2,-0.2 0.913 113.4 45.3 -61.2 -54.6 32.3 38.6 -7.4 305 145 G L H >< S+ 0 0 6 -4,-2.7 3,-0.7 1,-0.3 7,-0.4 0.866 111.4 56.5 -55.1 -37.0 35.4 36.8 -8.4 306 146 G D H 3< S+ 0 0 78 -4,-2.6 -1,-0.3 -5,-0.3 -2,-0.2 0.695 105.6 50.6 -67.1 -23.2 33.1 34.8 -10.7 307 147 G H T << S+ 0 0 109 -3,-1.3 2,-0.2 -4,-0.8 -1,-0.2 -0.366 98.7 71.2-119.0 50.1 31.8 38.0 -12.6 308 148 G V S < S- 0 0 50 -3,-0.7 4,-0.3 1,-0.2 3,-0.3 -0.868 71.3-140.4-161.1 125.1 35.1 39.7 -13.4 309 149 G E S S+ 0 0 118 1,-0.3 2,-1.3 -2,-0.2 3,-0.3 0.979 98.4 36.7 -51.1 -74.9 37.7 38.5 -16.0 310 150 G G S S+ 0 0 40 1,-0.2 -1,-0.3 2,-0.1 -5,-0.0 -0.709 93.3 100.9 -86.4 91.7 40.9 39.2 -14.2 311 151 G S S > S+ 0 0 1 -2,-1.3 4,-1.3 -3,-0.3 -1,-0.2 0.545 72.5 38.0-131.4 -76.5 39.9 38.3 -10.6 312 152 G R H >> S+ 0 0 44 -7,-0.4 4,-1.6 -3,-0.3 3,-1.0 0.976 126.4 38.9 -51.2 -65.6 40.9 35.0 -9.1 313 153 G E H >>>S+ 0 0 63 1,-0.3 4,-2.4 2,-0.2 3,-1.9 0.966 114.9 53.5 -50.3 -62.1 44.3 35.0 -10.7 314 154 G R H 34>S+ 0 0 69 1,-0.3 5,-2.3 2,-0.2 6,-0.4 0.710 113.3 47.7 -43.8 -25.8 44.7 38.8 -10.1 315 155 G A H <<5S+ 0 0 0 -4,-1.3 -1,-0.3 -3,-1.0 -2,-0.2 0.740 105.2 54.0 -93.0 -24.4 43.9 38.0 -6.5 316 156 G R H <<5S+ 0 0 128 -3,-1.9 -2,-0.2 -4,-1.6 -3,-0.2 0.856 110.4 47.9 -72.0 -42.3 46.4 35.0 -6.1 317 157 G R T <5S- 0 0 83 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.775 123.2-132.8 -64.4 -20.4 49.0 37.3 -7.3 318 158 G G T - 0 0 1 -2,-0.3 4,-3.8 -78,-0.2 5,-0.4 -0.492 57.0 -81.4-109.9 178.5 34.1 43.7 5.4 325 165 G V H > S+ 0 0 0 -83,-0.5 4,-3.7 -80,-0.4 5,-0.1 0.854 130.4 48.1 -53.0 -41.9 33.2 47.2 6.4 326 166 G D H > S+ 0 0 0 2,-0.2 4,-3.6 3,-0.2 -1,-0.2 0.935 116.1 44.9 -61.5 -52.0 35.5 47.3 9.4 327 167 G T H > S+ 0 0 0 2,-0.2 4,-1.9 1,-0.2 5,-0.3 0.965 119.2 41.7 -57.3 -54.6 38.3 45.9 7.3 328 168 G W H X S+ 0 0 0 -4,-3.8 4,-2.1 2,-0.2 -2,-0.2 0.940 115.2 51.1 -59.5 -48.1 37.5 48.3 4.5 329 169 G L H X S+ 0 0 0 -4,-3.7 4,-0.6 -5,-0.4 -2,-0.2 0.976 113.4 45.9 -56.6 -44.8 36.9 51.1 6.9 330 170 G I H >X S+ 0 0 0 -4,-3.6 3,-4.3 1,-0.2 4,-1.7 0.967 111.4 47.8 -58.2 -74.1 40.3 50.4 8.6 331 171 G W H 3<>S+ 0 0 19 -4,-1.9 5,-1.5 1,-0.3 6,-0.2 0.759 107.5 57.3 -37.0 -43.8 42.6 50.1 5.5 332 172 G K H 3<5S+ 0 0 65 -4,-2.1 -1,-0.3 -5,-0.3 3,-0.3 0.730 115.8 38.5 -67.9 -15.8 41.1 53.3 4.0 333 173 G M H <<5S+ 0 0 24 -3,-4.3 2,-1.3 -4,-0.6 55,-0.4 0.835 109.9 54.9 -96.6 -42.0 42.3 55.0 7.3 334 174 G T T ><5S- 0 0 10 -4,-1.7 3,-4.4 4,-0.2 4,-0.4 -0.278 115.6-116.0 -84.0 45.5 45.7 53.3 7.9 335 175 G Q T 3 5S- 0 0 95 -2,-1.3 -3,-0.2 1,-0.3 -4,-0.1 0.527 71.0 -47.4 23.3 27.0 46.3 54.5 4.4 336 176 G G T 3 -w 378 0H 0 -2,-0.3 4,-1.8 35,-0.2 37,-0.2 -0.433 27.7-102.3 -99.8-175.0 38.1 41.5 14.1 343 183 G Y H > S+ 0 0 53 35,-0.8 4,-1.6 53,-0.3 101,-0.2 0.959 120.7 51.9 -70.8 -45.0 37.0 38.3 15.5 344 184 G T H >> S+ 0 0 0 52,-0.3 3,-0.7 1,-0.2 4,-0.7 0.945 110.5 48.2 -53.0 -55.6 33.3 39.3 15.4 345 185 G N H >4 S+ 0 0 1 1,-0.3 3,-1.7 2,-0.2 4,-0.4 0.926 107.9 54.3 -47.8 -55.9 33.4 40.3 11.8 346 186 G A H >< S+ 0 0 2 -4,-1.8 3,-1.4 1,-0.3 6,-0.6 0.792 93.7 65.5 -55.5 -37.8 35.1 37.2 10.6 347 187 G S H X< S+ 0 0 0 -4,-1.6 3,-0.7 -3,-0.7 -1,-0.3 0.835 97.7 61.7 -55.0 -26.4 32.7 34.7 12.0 348 188 G R T << S+ 0 0 0 -3,-1.7 -51,-0.4 -4,-0.7 -1,-0.2 0.577 85.8 74.4 -73.2 -20.9 30.1 36.2 9.6 349 189 G T T < S- 0 0 1 -3,-1.4 -51,-3.8 -4,-0.4 -1,-0.2 0.595 90.0-131.7 -73.0 -28.2 31.9 35.4 6.5 350 190 G M S < S+ 0 0 1 -3,-0.7 -2,-0.1 -4,-0.4 -3,-0.1 0.489 93.8 81.5 78.9 6.0 31.3 31.7 6.2 351 191 G L S S+ 0 0 0 -5,-0.4 9,-3.9 12,-0.1 13,-0.3 0.543 75.3 80.5-111.6 -22.6 35.0 31.2 5.5 352 192 G F E S-X 359 0I 0 -6,-0.6 2,-0.7 7,-0.3 7,-0.2 -0.665 72.7-131.0 -96.3 148.8 36.3 31.3 9.1 353 193 G N E >> -X 358 0I 11 5,-0.7 4,-0.9 -2,-0.3 5,-0.8 -0.830 8.5-157.4-102.9 110.0 36.3 28.5 11.7 354 194 G I T 45S+ 0 0 2 -67,-1.9 -66,-0.1 -2,-0.7 -1,-0.1 0.540 88.7 38.8 -65.5 -6.3 34.9 29.4 15.1 355 195 G H T 45S+ 0 0 103 -68,-0.4 -1,-0.2 3,-0.2 -68,-0.1 0.836 120.4 40.9-103.1 -46.7 36.6 26.7 17.1 356 196 G T T 45S- 0 0 93 2,-0.2 -2,-0.2 -69,-0.1 -1,-0.1 0.439 102.4-139.6 -71.1 -9.7 39.9 26.6 15.5 357 197 G L T <5 + 0 0 49 -4,-0.9 2,-0.3 1,-0.1 -3,-0.2 0.767 65.7 90.6 45.5 36.6 39.5 30.3 15.5 358 198 G D E - 0 0 10 -9,-3.9 4,-2.1 1,-0.2 5,-0.2 -0.738 14.8-157.6 -87.1 125.1 38.8 27.3 6.9 361 201 G D H > S+ 0 0 102 -2,-0.5 4,-2.2 1,-0.2 -1,-0.2 0.927 94.4 50.8 -68.2 -37.8 40.8 25.6 4.3 362 202 G K H > S+ 0 0 93 2,-0.2 4,-2.5 1,-0.2 5,-0.3 0.960 110.7 45.1 -59.7 -58.5 37.8 23.7 3.1 363 203 G M H > S+ 0 0 2 1,-0.3 4,-3.1 2,-0.2 5,-0.3 0.958 112.9 53.4 -46.6 -58.2 35.5 26.8 2.7 364 204 G L H <>S+ 0 0 7 -4,-2.1 5,-3.9 -13,-0.3 -1,-0.3 0.837 116.2 39.2 -45.9 -44.9 38.3 28.6 1.0 365 205 G E H ><5S+ 0 0 134 -4,-2.2 3,-3.9 3,-0.2 -2,-0.2 0.996 114.4 48.5 -70.0 -71.1 38.8 25.7 -1.4 366 206 G V H 3<5S+ 0 0 44 -4,-2.5 -2,-0.2 1,-0.3 -3,-0.2 0.746 119.7 42.1 -32.9 -41.9 35.2 24.8 -2.1 367 207 G L T 3<5S- 0 0 3 -4,-3.1 -1,-0.3 -5,-0.3 -2,-0.2 0.426 111.8-122.6 -90.0 -9.4 34.5 28.4 -2.7 368 208 G D T < 5 + 0 0 71 -3,-3.9 -3,-0.2 -5,-0.3 -2,-0.1 0.940 54.7 157.8 64.7 43.5 37.6 28.9 -4.6 369 209 G I < - 0 0 14 -5,-3.9 2,-0.7 -6,-0.2 -1,-0.2 -0.809 37.6-131.7-108.0 145.8 38.9 31.7 -2.4 370 210 G P > - 0 0 9 0, 0.0 3,-3.4 0, 0.0 4,-0.5 -0.872 6.0-143.4-106.9 105.6 42.5 32.7 -2.1 371 211 G R T 3 S+ 0 0 102 -2,-0.7 -12,-0.1 1,-0.3 -55,-0.1 0.579 96.0 79.4 -34.4 -24.3 44.0 33.1 1.4 372 212 G E T 3 S+ 0 0 113 1,-0.2 -1,-0.3 -51,-0.0 -56,-0.1 0.851 93.3 42.7 -56.9 -45.3 45.8 35.9 -0.2 373 213 G M S < S+ 0 0 0 -3,-3.4 -51,-1.1 -52,-0.1 -1,-0.2 0.800 90.5 101.9 -76.3 -32.3 42.9 38.3 0.0 374 214 G L - 0 0 14 -4,-0.5 -51,-0.1 -53,-0.1 3,-0.1 -0.203 67.5-135.3 -51.7 136.3 41.9 37.4 3.6 375 215 G P - 0 0 7 0, 0.0 2,-0.5 0, 0.0 -35,-0.2 -0.133 29.9 -72.9 -88.5-171.9 43.0 40.0 6.1 376 216 G E E -w 340 0H 117 -37,-3.4 -35,-2.4 1,-0.0 2,-0.6 -0.676 43.9-142.6 -84.4 132.0 44.5 39.7 9.3 377 217 G V E +w 341 0H 20 -2,-0.5 2,-0.3 -37,-0.2 -35,-0.2 -0.851 30.4 164.5-102.2 117.3 42.2 38.5 12.0 378 218 G R E -w 342 0H 71 -37,-1.9 -35,-0.8 -2,-0.6 4,-0.1 -0.917 39.4 -70.0-136.3 158.8 42.6 40.0 15.5 379 219 G R - 0 0 82 -2,-0.3 -1,-0.1 -37,-0.2 72,-0.1 0.153 43.8-118.0 -37.3 150.0 41.1 40.5 19.0 380 220 G S S S+ 0 0 1 70,-0.8 16,-1.5 1,-0.2 2,-0.3 0.417 108.0 42.0 -79.0 1.7 38.1 42.8 19.2 381 221 G S E S+Q 395 0E 6 69,-0.2 2,-0.3 14,-0.2 -1,-0.2 -0.878 83.1 104.6-152.0 109.1 40.2 45.1 21.5 382 222 G E E S- 0 0 63 12,-2.1 2,-0.9 -2,-0.3 3,-0.2 -0.866 78.0 -90.8-176.2 155.8 43.7 45.7 20.5 383 223 G V E - 0 0 64 -2,-0.3 11,-0.3 1,-0.2 3,-0.1 -0.775 38.2-178.7 -87.1 110.1 45.5 48.6 18.9 384 224 G Y E - 0 0 13 9,-3.8 2,-0.3 -2,-0.9 -1,-0.2 0.924 55.6 -74.7 -71.7 -37.7 45.1 47.9 15.3 385 225 G G E -Q 393 0E 19 8,-0.7 8,-3.8 -3,-0.2 2,-0.3 -0.966 51.1 -64.5 173.8-163.2 47.1 51.0 14.4 386 226 G Q E -Q 392 0E 80 6,-0.3 2,-0.3 -2,-0.3 -150,-0.0 -0.864 35.0-175.5-120.6 151.0 47.2 54.7 14.1 387 227 G T - 0 0 15 4,-2.6 2,-0.8 -2,-0.3 -53,-0.1 -0.974 25.7-115.0-144.1 154.8 45.3 57.3 11.9 388 228 G N 0 0 155 -55,-0.4 -2,-0.0 -2,-0.3 0, 0.0 -0.776 360.0 360.0-107.9 97.7 45.4 61.0 11.2 389 229 G I 0 0 82 -2,-0.8 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