==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=25-JUL-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ISOMERASE 04-MAY-10 3MVK . COMPND 2 MOLECULE: PROTEIN FUCU; . SOURCE 2 ORGANISM_SCIENTIFIC: BIFIDOBACTERIUM LONGUM SUBSP. INFANTIS . AUTHOR A.J.STEIN,X.XU,H.CUI,A.SAVCHENKO,A.JOACHIMIAK,MIDWEST CENTER . 1408 11 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 54787.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 968 68.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 160 11.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 110 7.8 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 107 7.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 200 14.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 331 23.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), 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 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 10 0 0 0 10 17 4 6 1 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 20 10 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 . 10 0 10 10 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 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 0 10 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 5 A I 0 0 121 0, 0.0 53,-0.1 0, 0.0 9,-0.0 0.000 360.0 360.0 360.0 123.8 13.3 5.2 108.0 2 6 A P > - 0 0 31 0, 0.0 3,-1.5 0, 0.0 184,-0.0 -0.136 360.0-135.3 -50.8 130.3 13.9 5.3 104.2 3 7 A K T 3 S+ 0 0 86 1,-0.3 51,-0.0 183,-0.1 0, 0.0 0.766 98.4 63.2 -57.6 -30.8 17.5 6.1 103.4 4 8 A I T 3 S+ 0 0 32 182,-0.1 182,-0.5 46,-0.1 -1,-0.3 0.630 78.3 97.4 -77.3 -13.0 16.6 8.6 100.6 5 9 A I S < S- 0 0 14 -3,-1.5 38,-0.0 180,-0.2 5,-0.0 -0.668 70.2-141.4 -80.7 119.3 14.8 11.0 103.0 6 10 A P >> - 0 0 6 0, 0.0 4,-2.0 0, 0.0 3,-0.7 -0.351 26.7-102.9 -78.3 162.9 17.2 13.8 103.9 7 11 A P H 3> S+ 0 0 7 0, 0.0 4,-2.3 0, 0.0 5,-0.2 0.852 120.1 54.7 -54.9 -40.1 17.2 15.2 107.5 8 12 A E H 3> S+ 0 0 89 1,-0.2 4,-2.2 2,-0.2 5,-0.1 0.887 109.1 47.8 -60.2 -39.5 15.3 18.4 106.6 9 13 A L H <> S+ 0 0 1 -3,-0.7 4,-2.8 2,-0.2 -1,-0.2 0.850 107.6 55.4 -72.7 -32.8 12.5 16.3 105.0 10 14 A L H X S+ 0 0 8 -4,-2.0 4,-2.1 2,-0.2 -2,-0.2 0.947 109.0 48.2 -61.1 -43.7 12.3 14.0 108.0 11 15 A K H X S+ 0 0 52 -4,-2.3 4,-2.4 1,-0.2 -2,-0.2 0.925 111.9 50.2 -57.7 -48.2 11.8 17.2 110.1 12 16 A V H X S+ 0 0 2 -4,-2.2 4,-2.0 1,-0.2 -2,-0.2 0.929 109.3 49.9 -56.5 -47.9 9.1 18.3 107.7 13 17 A L H < S+ 0 0 6 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.884 114.1 46.0 -65.7 -34.4 7.3 15.0 107.8 14 18 A C H < S+ 0 0 55 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.845 112.5 48.0 -74.8 -37.1 7.3 14.9 111.6 15 19 A E H < S+ 0 0 9 -4,-2.4 1152,-0.7 -5,-0.2 1153,-0.3 0.719 89.4 97.7 -85.0 -18.1 6.1 18.5 112.1 16 20 A X < - 0 0 5 -4,-2.0 2,-0.2 -5,-0.2 1150,-0.1 -0.416 60.4-164.4 -59.7 144.1 3.3 18.3 109.6 17 21 A G > - 0 0 4 1,-0.1 3,-2.4 -2,-0.1 120,-0.3 -0.640 36.9 -41.0-125.1-174.2 -0.1 17.6 111.3 18 22 A H T 3 S+ 0 0 15 1145,-3.2 120,-0.2 1,-0.3 -1,-0.1 -0.204 127.4 11.9 -56.6 119.0 -3.6 16.5 110.4 19 23 A G T 3 S+ 0 0 25 118,-2.6 -1,-0.3 1,-0.4 119,-0.1 0.188 89.3 132.6 98.5 -16.0 -4.6 18.1 107.1 20 24 A D < - 0 0 15 -3,-2.4 117,-3.0 118,-0.1 2,-0.4 -0.380 44.4-145.9 -64.5 145.7 -1.2 19.5 106.0 21 25 A Q E -A 136 0A 27 96,-0.3 98,-2.5 115,-0.2 99,-1.0 -0.885 14.5-167.5-115.6 145.3 -0.4 18.7 102.4 22 26 A L E -Ab 135 120A 0 113,-2.4 113,-2.9 -2,-0.4 2,-0.5 -0.954 14.7-138.4-123.4 157.2 2.8 18.0 100.6 23 27 A V E -Ab 134 121A 0 97,-2.3 99,-3.4 -2,-0.3 2,-0.8 -0.951 3.4-155.3-114.7 124.5 3.5 17.9 96.8 24 28 A I E -Ab 133 122A 0 109,-3.5 109,-2.5 -2,-0.5 2,-0.4 -0.902 29.4-157.7 -90.2 109.5 5.6 15.3 95.1 25 29 A A E - b 0 123A 0 97,-3.1 99,-2.1 -2,-0.8 101,-0.4 -0.786 6.7-134.0 -93.9 130.9 6.6 17.5 92.0 26 30 A D > - 0 0 8 -2,-0.4 3,-1.5 97,-0.1 5,-0.2 -0.226 36.5 -93.2 -72.4 174.2 7.6 15.9 88.7 27 31 A G T 3 S+ 0 0 46 99,-2.5 100,-0.1 1,-0.3 4,-0.1 0.759 125.7 50.0 -65.5 -25.3 10.7 17.1 86.8 28 32 A N T 3 S+ 0 0 17 98,-0.4 841,-3.2 100,-0.3 -1,-0.3 0.522 87.5 110.2 -87.2 -8.1 8.7 19.5 84.7 29 33 A F S < S- 0 0 9 -3,-1.5 2,-2.2 839,-0.2 3,-0.2 -0.415 77.5-122.6 -72.7 140.4 6.8 21.0 87.6 30 34 A P > + 0 0 5 0, 0.0 4,-2.4 0, 0.0 5,-0.3 -0.490 48.4 162.6 -76.4 70.0 7.5 24.6 88.6 31 35 A A H > + 0 0 3 -2,-2.2 4,-2.2 -5,-0.2 836,-0.1 0.890 66.3 47.1 -62.3 -42.8 8.5 23.5 92.1 32 36 A E H 4 S+ 0 0 42 834,-0.7 -1,-0.2 -3,-0.2 835,-0.1 0.904 116.8 41.0 -70.3 -42.4 10.4 26.6 93.2 33 37 A S H >4 S+ 0 0 32 833,-0.3 3,-1.4 2,-0.2 -2,-0.2 0.941 118.7 45.0 -71.1 -46.3 7.8 29.2 92.1 34 38 A I H 3< S+ 0 0 15 -4,-2.4 3,-0.5 1,-0.3 -2,-0.2 0.897 117.4 47.6 -61.8 -37.5 4.8 27.2 93.3 35 39 A G T >< S+ 0 0 2 -4,-2.2 3,-2.3 -5,-0.3 -1,-0.3 0.134 72.5 119.7 -89.4 20.0 6.6 26.5 96.5 36 40 A K T < S+ 0 0 75 -3,-1.4 -1,-0.2 1,-0.3 -2,-0.1 0.807 85.1 36.4 -60.5 -30.9 7.8 30.1 97.1 37 41 A N T 3 S+ 0 0 165 -3,-0.5 -1,-0.3 -4,-0.2 2,-0.2 0.164 116.9 63.8-104.1 16.0 5.8 30.2 100.4 38 42 A A S < S- 0 0 26 -3,-2.3 2,-0.6 83,-0.0 82,-0.2 -0.646 95.9 -85.5-124.3-178.8 6.6 26.6 101.4 39 43 A I E -c 120 0A 46 80,-2.1 82,-2.4 -2,-0.2 2,-0.6 -0.864 41.3-158.3 -91.6 118.0 9.6 24.4 102.2 40 44 A V E -c 121 0A 29 -2,-0.6 2,-0.5 80,-0.2 82,-0.2 -0.885 6.8-169.5-101.9 119.9 11.1 23.1 98.9 41 45 A V E -c 122 0A 5 80,-2.4 82,-2.6 -2,-0.6 2,-0.3 -0.948 18.8-132.7-109.1 124.2 13.2 20.0 99.3 42 46 A R E +c 123 0A 61 -2,-0.5 82,-0.2 80,-0.2 3,-0.1 -0.616 36.0 159.4 -79.4 131.7 15.3 19.0 96.2 43 47 A X E > +c 124 0A 12 80,-3.1 3,-2.2 -2,-0.3 82,-0.8 -0.264 15.9 151.5-137.5 47.6 15.2 15.3 95.2 44 48 A D T 3 + 0 0 25 1,-0.3 102,-0.2 80,-0.3 80,-0.1 0.721 67.2 54.8 -59.7 -27.1 16.3 15.8 91.6 45 49 A G T 3 S+ 0 0 20 100,-0.4 2,-0.3 79,-0.1 -1,-0.3 0.405 97.6 83.4 -87.1 6.9 17.9 12.3 91.3 46 50 A H < - 0 0 8 -3,-2.2 79,-2.8 77,-0.2 80,-0.4 -0.837 69.1-129.3-120.5 148.2 14.8 10.4 92.3 47 51 A G > - 0 0 13 -2,-0.3 4,-2.0 78,-0.2 5,-0.2 -0.397 29.1-110.6 -84.2 165.1 11.7 9.2 90.6 48 52 A G H > S+ 0 0 0 2,-0.2 4,-2.9 1,-0.2 5,-0.2 0.896 116.8 51.5 -61.6 -43.4 8.1 9.8 91.7 49 53 A G H > S+ 0 0 16 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.938 109.5 49.1 -61.5 -48.6 7.6 6.1 92.6 50 54 A E H > S+ 0 0 89 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.904 114.7 45.7 -56.2 -46.4 10.7 6.0 94.7 51 55 A I H X S+ 0 0 2 -4,-2.0 4,-2.7 2,-0.2 5,-0.2 0.931 112.8 48.7 -66.5 -46.2 9.7 9.1 96.6 52 56 A L H X S+ 0 0 0 -4,-2.9 4,-2.7 1,-0.2 5,-0.2 0.923 110.1 52.8 -60.8 -43.8 6.1 8.1 97.1 53 57 A K H X S+ 0 0 124 -4,-2.7 4,-0.9 -5,-0.2 -1,-0.2 0.931 112.3 45.5 -55.7 -45.9 7.2 4.6 98.4 54 58 A A H >X S+ 0 0 8 -4,-1.9 3,-0.5 -5,-0.2 4,-0.5 0.931 113.8 47.7 -65.9 -45.7 9.5 6.3 100.9 55 59 A I H >X S+ 0 0 1 -4,-2.7 3,-2.0 1,-0.2 4,-1.5 0.927 106.6 56.3 -62.8 -45.0 7.0 8.9 102.1 56 60 A L H 3< S+ 0 0 8 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.737 95.6 66.5 -66.7 -20.4 4.2 6.4 102.6 57 61 A T H << S+ 0 0 71 -4,-0.9 -1,-0.3 -3,-0.5 -2,-0.2 0.811 121.2 18.7 -66.0 -24.3 6.4 4.3 104.9 58 62 A V H << S+ 0 0 54 -3,-2.0 -2,-0.2 -4,-0.5 -1,-0.2 0.445 114.0 74.3-123.4 -2.0 6.2 7.3 107.4 59 63 A F < - 0 0 6 -4,-1.5 2,-0.3 -5,-0.1 -1,-0.1 -0.938 64.7-147.5-128.0 108.9 3.2 9.4 106.3 60 64 A P - 0 0 45 0, 0.0 78,-3.2 0, 0.0 2,-0.3 -0.604 20.7-126.5 -78.4 136.2 -0.4 8.4 107.0 61 65 A L B -F 137 0B 11 -2,-0.3 76,-0.2 76,-0.2 78,-0.2 -0.600 35.8 -96.0 -80.1 140.7 -2.9 9.5 104.3 62 66 A D - 0 0 0 74,-2.5 3,-0.3 -2,-0.3 76,-0.1 -0.306 30.8-173.0 -62.2 127.9 -6.0 11.4 105.7 63 67 A T S S+ 0 0 98 1,-0.2 -1,-0.1 -2,-0.1 75,-0.1 0.435 77.8 77.7 -93.1 -4.1 -9.1 9.3 106.3 64 68 A Y S S+ 0 0 119 4,-0.0 2,-0.3 2,-0.0 -1,-0.2 0.415 95.8 50.7 -86.7 -1.9 -11.2 12.5 107.0 65 69 A V S S- 0 0 53 -3,-0.3 71,-0.0 1,-0.1 0, 0.0 -0.944 82.1-128.1-131.3 155.7 -11.4 13.2 103.3 66 70 A D S S+ 0 0 121 -2,-0.3 -1,-0.1 1,-0.2 -2,-0.0 0.893 102.5 28.0 -62.7 -47.5 -12.5 11.0 100.4 67 71 A K + 0 0 81 1,-0.1 -1,-0.2 36,-0.0 37,-0.2 -0.739 60.3 168.3-128.5 77.6 -9.4 11.5 98.2 68 72 A P + 0 0 3 0, 0.0 68,-2.1 0, 0.0 2,-0.4 0.624 69.5 63.9 -71.2 -9.4 -6.3 12.4 100.3 69 73 A A E S-dE 103 135A 0 33,-2.3 35,-3.0 66,-0.2 2,-0.4 -0.914 70.4-165.0-112.2 141.7 -4.1 11.9 97.2 70 74 A T E -dE 104 134A 20 64,-2.4 64,-2.2 -2,-0.4 35,-0.3 -0.985 4.6-165.6-133.8 127.3 -4.4 14.2 94.1 71 75 A L E -dE 105 133A 13 33,-2.8 35,-2.0 -2,-0.4 2,-0.5 -0.616 28.1-111.9 -98.4 162.8 -3.1 13.8 90.5 72 76 A X E -d 106 0A 6 60,-0.5 35,-0.2 33,-0.2 2,-0.1 -0.871 34.1-128.2 -92.5 125.6 -2.9 16.5 87.8 73 77 A E - 0 0 74 33,-2.6 35,-0.4 -2,-0.5 2,-0.1 -0.454 29.4 -98.7 -69.3 145.6 -5.3 15.8 84.9 74 78 A K - 0 0 78 -2,-0.1 -1,-0.1 1,-0.1 3,-0.1 -0.406 42.8-103.4 -61.6 136.2 -4.0 15.8 81.4 75 79 A V > - 0 0 38 1,-0.1 3,-2.9 -2,-0.1 -1,-0.1 -0.443 52.8 -90.3 -57.7 130.6 -4.5 19.0 79.5 76 80 A P T 3 S+ 0 0 123 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.249 116.7 21.3 -50.2 128.3 -7.5 18.4 77.1 77 81 A G T 3 S+ 0 0 79 1,-0.2 2,-0.8 -3,-0.1 -2,-0.1 0.224 90.4 116.9 93.7 -12.3 -6.0 17.2 73.8 78 82 A D < - 0 0 33 -3,-2.9 -1,-0.2 1,-0.1 -4,-0.0 -0.812 40.6-178.0 -89.9 108.7 -2.7 16.0 75.3 79 83 A T + 0 0 131 -2,-0.8 -1,-0.1 -3,-0.1 -5,-0.0 0.292 25.1 143.7 -97.9 10.4 -2.9 12.3 74.6 80 84 A V - 0 0 51 1,-0.1 2,-0.1 2,-0.0 -6,-0.1 -0.164 56.2-108.9 -51.2 134.8 0.4 11.3 76.3 81 85 A A - 0 0 80 1,-0.1 48,-0.2 2,-0.0 3,-0.1 -0.417 24.7-159.4 -64.0 144.5 0.3 7.9 78.2 82 86 A T >> + 0 0 26 1,-0.1 3,-1.8 -2,-0.1 4,-0.5 -0.431 28.5 154.5-125.2 59.9 0.3 8.1 82.0 83 87 A P H >> + 0 0 87 0, 0.0 4,-1.2 0, 0.0 3,-1.0 0.810 68.1 71.1 -54.8 -28.9 1.5 4.6 83.2 84 88 A I H 3> S+ 0 0 15 1,-0.2 4,-3.0 2,-0.2 5,-0.2 0.771 83.8 68.4 -63.6 -24.0 2.8 6.2 86.4 85 89 A W H <> S+ 0 0 60 -3,-1.8 4,-1.9 1,-0.2 -1,-0.2 0.897 102.3 46.3 -60.5 -37.7 -0.8 6.8 87.7 86 90 A D H X S+ 0 0 0 -4,-2.3 4,-2.0 1,-0.2 3,-1.5 0.935 106.5 56.6 -67.5 -42.2 -1.1 3.7 97.8 93 97 A K H 3< S+ 0 0 121 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.810 98.5 63.3 -56.7 -31.7 -2.9 0.4 97.9 94 98 A E H 3< S+ 0 0 146 -4,-1.4 -1,-0.3 1,-0.2 -2,-0.2 0.781 118.4 24.3 -65.2 -27.1 0.1 -1.1 99.8 95 99 A H H << S+ 0 0 98 -3,-1.5 2,-0.4 -4,-0.6 -2,-0.2 0.562 126.6 41.5-113.5 -17.2 -0.5 1.3 102.7 96 100 A D >< - 0 0 29 -4,-2.0 3,-2.1 -5,-0.1 -1,-0.3 -0.976 66.5-143.3-143.7 121.6 -4.1 2.2 102.5 97 101 A E T 3 S+ 0 0 85 -2,-0.4 3,-0.1 1,-0.3 4,-0.1 0.696 97.7 71.3 -60.4 -20.6 -6.9 -0.2 101.7 98 102 A R T > S+ 0 0 64 1,-0.2 3,-2.1 -6,-0.1 -1,-0.3 0.792 74.3 166.6 -62.8 -28.9 -8.7 2.5 99.7 99 103 A G G X + 0 0 1 -3,-2.1 3,-2.1 -7,-0.3 -1,-0.2 -0.213 67.8 2.9 51.1-128.8 -6.0 2.2 97.0 100 104 A A G > S+ 0 0 59 1,-0.3 3,-1.4 2,-0.2 -1,-0.3 0.694 125.5 68.8 -62.2 -20.7 -7.0 3.9 93.8 101 105 A D G < S+ 0 0 118 -3,-2.1 -1,-0.3 1,-0.3 -2,-0.2 0.603 90.9 62.6 -74.5 -10.6 -10.2 5.2 95.4 102 106 A A G < S+ 0 0 0 -3,-2.1 -33,-2.3 -4,-0.2 2,-0.6 0.428 89.6 88.4 -88.3 -1.9 -8.1 7.5 97.6 103 107 A I E < +d 69 0A 22 -3,-1.4 -33,-0.2 -5,-0.2 2,-0.2 -0.887 49.9 168.4-109.4 117.3 -6.8 9.3 94.5 104 108 A G E -d 70 0A 17 -35,-3.0 -33,-2.8 -2,-0.6 2,-0.3 -0.396 19.7-135.9-102.8-170.5 -8.6 12.3 93.0 105 109 A S E -d 71 0A 62 -35,-0.3 2,-0.4 -2,-0.2 -33,-0.2 -0.983 8.2-155.0-148.9 159.7 -7.5 14.8 90.4 106 110 A L E -d 72 0A 53 -35,-2.0 -33,-2.6 -2,-0.3 5,-0.1 -0.997 33.6-104.0-135.2 140.6 -7.4 18.5 89.5 107 111 A E > - 0 0 80 -2,-0.4 4,-2.8 -35,-0.2 3,-0.4 -0.261 50.9 -97.0 -53.6 149.4 -7.2 20.3 86.2 108 112 A R H > S+ 0 0 12 -35,-0.4 4,-1.9 1,-0.2 5,-0.1 0.839 121.0 38.6 -42.0 -56.6 -3.7 21.6 85.6 109 113 A F H > S+ 0 0 116 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.835 115.3 52.4 -73.0 -30.9 -4.1 25.2 86.7 110 114 A A H > S+ 0 0 40 -3,-0.4 4,-2.4 2,-0.2 -1,-0.2 0.856 106.8 55.8 -68.0 -35.9 -6.4 24.3 89.6 111 115 A F H X S+ 0 0 0 -4,-2.8 4,-2.7 2,-0.2 -2,-0.2 0.926 105.7 50.7 -58.0 -47.1 -3.6 21.8 90.6 112 116 A Y H X S+ 0 0 19 -4,-1.9 4,-1.5 -5,-0.2 -2,-0.2 0.923 109.6 51.6 -57.3 -42.9 -1.1 24.7 90.7 113 117 A E H < S+ 0 0 109 -4,-1.9 4,-0.3 1,-0.2 3,-0.3 0.931 112.4 44.1 -61.7 -43.1 -3.5 26.7 92.9 114 118 A Q H >< S+ 0 0 67 -4,-2.4 3,-1.9 1,-0.2 -1,-0.2 0.922 109.6 56.8 -68.0 -40.0 -3.9 23.9 95.4 115 119 A A H >< S+ 0 0 1 -4,-2.7 3,-1.7 1,-0.3 -1,-0.2 0.763 93.8 67.6 -62.9 -29.8 -0.1 23.2 95.4 116 120 A K T 3< S+ 0 0 99 -4,-1.5 -1,-0.3 -3,-0.3 -2,-0.2 0.660 97.2 55.9 -63.2 -16.1 0.6 26.8 96.4 117 121 A N T < S+ 0 0 120 -3,-1.9 -96,-0.3 -4,-0.3 -1,-0.3 0.387 83.5 119.9 -94.1 0.5 -1.1 25.9 99.8 118 122 A A < - 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