==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-APR-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER METAL BINDING PROTEIN 25-JAN-13 3ZKW . COMPND 2 MOLECULE: ENTEROCHELIN UPTAKE PERIPLASMIC BINDING PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: CAMPYLOBACTER JEJUNI; . AUTHOR D.J.RAINES,O.V.MOROZ,K.S.WILSON,A.K.DUHME-KLAIR . 860 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 36182.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 607 70.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 87 10.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 69 8.0 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 . 11 1.3 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 . 64 7.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 110 12.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 234 27.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 21 2.4 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 15 5 0 7 0 3 0 0 0 2 0 4 0 0 0 2 1 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 3 6 6 3 0 3 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 . 2 2 3 3 3 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 ANTIPARALLEL BRIDGES PER LADDER . 1 3 3 0 3 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 24 A L 0 0 159 0, 0.0 16,-0.5 0, 0.0 17,-0.1 0.000 360.0 360.0 360.0 127.0 -7.8 -13.9 -9.9 2 25 A P - 0 0 85 0, 0.0 2,-0.4 0, 0.0 120,-0.1 -0.220 360.0 -96.0 -70.6 164.8 -4.1 -13.3 -10.9 3 26 A I - 0 0 11 119,-0.1 2,-0.3 13,-0.1 13,-0.2 -0.718 43.4-172.0 -75.2 132.1 -2.9 -11.3 -13.8 4 27 A S E -A 15 0A 68 11,-2.4 11,-2.8 -2,-0.4 2,-0.4 -0.941 1.6-169.8-127.0 145.9 -2.2 -13.5 -16.8 5 28 A M E -A 14 0A 40 -2,-0.3 2,-0.4 9,-0.2 9,-0.2 -1.000 11.3-162.4-138.8 134.6 -0.5 -12.3 -20.0 6 29 A S E -A 13 0A 56 7,-2.2 7,-2.6 -2,-0.4 2,-0.6 -0.982 27.4-124.6-121.1 132.4 -0.0 -13.9 -23.4 7 30 A D E +A 12 0A 83 -2,-0.4 5,-0.2 5,-0.2 3,-0.0 -0.669 31.4 173.9 -82.7 120.3 2.6 -12.4 -25.7 8 31 A E - 0 0 113 3,-3.0 2,-0.3 -2,-0.6 4,-0.1 -0.226 52.8-110.0-136.2 47.2 1.0 -11.5 -29.0 9 32 A G S S+ 0 0 41 2,-0.1 3,-0.1 1,-0.1 -2,-0.0 -0.850 101.3 33.9-124.8 1.3 3.7 -10.1 -30.0 10 33 A D S S+ 0 0 131 -2,-0.3 15,-2.1 -3,-0.0 2,-0.3 0.384 134.2 17.5 -78.4 -2.8 3.9 -6.2 -30.4 11 34 A S E S- B 0 24A 13 13,-0.3 -3,-3.0 -5,-0.0 2,-0.4 -0.925 80.2-116.1-155.9 171.2 1.5 -6.4 -27.4 12 35 A F E -AB 7 23A 11 11,-2.6 11,-2.9 -2,-0.3 2,-0.7 -0.956 15.2-135.5-118.3 142.2 0.2 -8.6 -24.7 13 36 A L E -AB 6 22A 76 -7,-2.6 -7,-2.2 -2,-0.4 2,-0.5 -0.885 35.6-167.0 -90.5 116.6 -3.3 -9.9 -24.2 14 37 A V E -AB 5 21A 1 7,-2.8 7,-2.5 -2,-0.7 2,-0.5 -0.930 14.5-170.4-117.6 130.7 -3.8 -9.4 -20.4 15 38 A K E +AB 4 20A 86 -11,-2.8 -11,-2.4 -2,-0.5 2,-0.2 -0.984 15.2 160.3-119.5 131.0 -6.5 -10.8 -18.2 16 39 A D E > - B 0 19A 7 3,-2.6 3,-0.5 -2,-0.5 -13,-0.1 -0.729 57.8 -79.0-133.1-173.4 -7.0 -9.7 -14.6 17 40 A S T 3 S+ 0 0 61 -16,-0.5 3,-0.1 1,-0.2 -14,-0.0 0.685 127.3 45.2 -66.7 -16.5 -9.9 -9.8 -12.1 18 41 A L T 3 S- 0 0 62 1,-0.3 2,-0.3 93,-0.1 -1,-0.2 0.661 122.0 -71.1-100.7 -19.2 -11.7 -6.8 -13.7 19 42 A G E < -B 16 0A 20 -3,-0.5 -3,-2.6 92,-0.1 2,-0.3 -0.989 54.3 -58.1 158.6-164.4 -11.4 -7.8 -17.4 20 43 A E E +B 15 0A 96 -2,-0.3 2,-0.3 -5,-0.2 -5,-0.2 -0.866 40.7 174.7-119.3 146.3 -9.3 -8.2 -20.4 21 44 A N E -B 14 0A 11 -7,-2.5 -7,-2.8 -2,-0.3 2,-0.6 -0.994 31.6-130.4-146.6 148.5 -7.1 -5.6 -22.2 22 45 A K E -B 13 0A 68 -2,-0.3 -9,-0.2 -9,-0.2 -2,-0.0 -0.887 33.8-168.8 -94.9 121.5 -4.7 -5.6 -25.1 23 46 A I E -B 12 0A 1 -11,-2.9 -11,-2.6 -2,-0.6 66,-0.1 -0.941 18.6-124.3-115.5 129.1 -1.6 -3.7 -23.7 24 47 A P E -B 11 0A 46 0, 0.0 -13,-0.3 0, 0.0 2,-0.1 -0.309 31.4-105.2 -66.6 144.4 1.2 -2.6 -26.0 25 48 A K S S+ 0 0 73 -15,-2.1 109,-0.2 1,-0.2 3,-0.1 -0.458 102.7 11.5 -58.1 141.8 4.8 -3.7 -25.2 26 49 A N S S- 0 0 89 107,-3.0 -1,-0.2 1,-0.1 108,-0.1 0.923 86.1-150.8 53.5 56.2 6.9 -0.9 -23.6 27 50 A P - 0 0 0 0, 0.0 3,-0.2 0, 0.0 -1,-0.1 -0.338 10.8-166.6 -60.3 128.8 4.0 1.5 -23.0 28 51 A S S S+ 0 0 67 1,-0.2 2,-0.3 -3,-0.1 -2,-0.0 0.448 73.1 48.0 -99.5 -5.5 5.4 5.0 -23.2 29 52 A K S S+ 0 0 80 2,-0.0 59,-2.5 21,-0.0 60,-1.4 -0.748 71.7 171.5-139.6 84.7 2.6 7.1 -21.6 30 53 A V E -cd 50 89B 0 19,-2.9 21,-2.6 -2,-0.3 22,-1.2 -0.864 22.0-158.0-109.2 131.8 1.3 5.5 -18.4 31 54 A V E -cd 52 90B 0 58,-2.6 60,-2.5 -2,-0.5 2,-0.5 -0.915 16.7-163.3-102.5 128.2 -1.1 7.1 -15.9 32 55 A I E + d 0 91B 0 20,-2.4 60,-0.2 -2,-0.5 39,-0.1 -0.950 23.9 170.0-120.5 121.5 -0.7 5.5 -12.5 33 56 A L + 0 0 10 58,-3.0 2,-0.6 -2,-0.5 59,-0.2 0.571 62.5 81.5-101.2 -14.1 -3.4 5.8 -9.7 34 57 A D > - 0 0 11 57,-0.7 4,-1.6 1,-0.1 5,-0.2 -0.836 65.5-154.8 -97.4 121.7 -1.8 3.2 -7.3 35 58 A L H > S+ 0 0 11 -2,-0.6 4,-1.9 231,-0.2 -1,-0.1 0.839 90.1 55.6 -67.3 -31.8 1.0 4.7 -5.2 36 59 A G H > S+ 0 0 0 231,-0.3 4,-1.8 1,-0.2 236,-0.3 0.942 108.1 46.4 -63.8 -48.3 2.7 1.3 -4.6 37 60 A I H > S+ 0 0 0 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.834 107.4 60.1 -67.5 -26.9 3.0 0.5 -8.2 38 61 A L H X S+ 0 0 0 -4,-1.6 4,-1.8 1,-0.2 -1,-0.2 0.944 104.9 48.8 -62.3 -40.0 4.3 4.0 -8.8 39 62 A D H X S+ 0 0 3 -4,-1.9 4,-2.6 1,-0.2 -2,-0.2 0.892 107.8 54.1 -64.7 -35.7 7.1 3.3 -6.4 40 63 A T H X S+ 0 0 0 -4,-1.8 4,-2.4 2,-0.2 -1,-0.2 0.884 103.8 56.4 -65.7 -39.6 7.8 0.0 -8.4 41 64 A F H <>S+ 0 0 0 -4,-2.3 5,-3.1 1,-0.2 6,-0.3 0.934 109.5 46.2 -55.7 -43.2 8.1 2.1 -11.6 42 65 A D H ><5S+ 0 0 13 -4,-1.8 3,-1.6 4,-0.2 -2,-0.2 0.935 110.0 52.4 -64.9 -45.9 10.8 4.1 -9.9 43 66 A A H 3<5S+ 0 0 14 -4,-2.6 -2,-0.2 1,-0.3 -1,-0.2 0.877 112.0 47.3 -58.1 -34.0 12.5 0.9 -8.6 44 67 A L T 3<5S- 0 0 11 -4,-2.4 -1,-0.3 -5,-0.1 -2,-0.2 0.364 117.1-113.9 -87.8 5.9 12.5 -0.5 -12.2 45 68 A K T < 5S+ 0 0 84 -3,-1.6 3,-0.3 -4,-0.3 -3,-0.2 0.814 78.0 129.7 64.8 39.0 13.9 2.8 -13.6 46 69 A L > < + 0 0 9 -5,-3.1 3,-2.2 -6,-0.2 4,-0.5 0.132 20.2 122.1-110.3 22.6 10.7 3.4 -15.5 47 70 A N G > S+ 0 0 21 -6,-0.3 3,-1.4 1,-0.3 -1,-0.2 0.830 70.4 59.4 -55.5 -36.6 10.1 7.1 -14.4 48 71 A D G 3 S+ 0 0 122 -3,-0.3 -1,-0.3 1,-0.3 -2,-0.1 0.564 95.7 62.6 -74.8 -9.9 10.1 8.4 -17.9 49 72 A K G < S+ 0 0 50 -3,-2.2 -19,-2.9 -20,-0.1 2,-0.4 0.616 85.2 94.1 -80.9 -19.2 7.1 6.2 -18.9 50 73 A V E < +c 30 0B 2 -3,-1.4 -19,-0.2 -4,-0.5 3,-0.1 -0.671 37.9 163.1 -85.7 126.9 4.9 7.9 -16.4 51 74 A V E + 0 0 32 -21,-2.6 2,-0.3 -2,-0.4 -20,-0.2 0.475 65.9 29.8-114.7 -14.2 2.7 10.9 -17.6 52 75 A G E +c 31 0B 0 -22,-1.2 -20,-2.4 16,-0.1 -1,-0.3 -0.970 56.4 164.0-153.2 139.1 0.2 11.2 -14.8 53 76 A V B -f 70 0C 0 16,-1.9 18,-2.3 -2,-0.3 2,-1.5 -0.927 51.3 -93.4-140.2 163.5 0.0 10.6 -11.0 54 77 A P + 0 0 2 0, 0.0 4,-0.3 0, 0.0 3,-0.2 -0.688 48.1 175.2 -82.6 88.6 -2.3 11.6 -8.2 55 78 A A > + 0 0 29 -2,-1.5 3,-1.6 1,-0.2 18,-0.1 0.849 61.5 71.1 -71.0 -31.2 -0.3 14.6 -7.2 56 79 A K T 3 S+ 0 0 135 16,-1.4 -1,-0.2 1,-0.3 17,-0.2 0.912 109.8 30.2 -54.5 -50.2 -2.6 16.0 -4.5 57 80 A N T 3 S+ 0 0 42 15,-0.3 -1,-0.3 -3,-0.2 -2,-0.2 0.471 82.6 151.0 -82.1 1.2 -1.9 13.2 -2.0 58 81 A L < - 0 0 17 -3,-1.6 -3,-0.1 -4,-0.3 5,-0.0 -0.009 38.1-135.9 -64.8 129.5 1.7 12.4 -2.9 59 82 A P > - 0 0 0 0, 0.0 3,-2.1 0, 0.0 -1,-0.1 -0.192 26.0 -98.8 -76.2 171.4 3.6 11.1 0.1 60 83 A K G > S+ 0 0 67 1,-0.3 3,-0.8 2,-0.2 -2,-0.1 0.769 118.7 57.3 -63.6 -28.7 7.1 12.1 1.1 61 84 A Y G 3 S+ 0 0 4 1,-0.2 -1,-0.3 2,-0.1 3,-0.1 0.426 104.5 52.2 -81.0 2.4 8.8 9.0 -0.5 62 85 A L G X + 0 0 0 -3,-2.1 3,-2.0 1,-0.1 -1,-0.2 0.042 67.3 122.5-125.8 28.1 7.3 9.7 -4.0 63 86 A Q G X + 0 0 35 -3,-0.8 3,-1.7 1,-0.3 4,-0.2 0.657 58.3 76.9 -71.5 -11.0 8.4 13.4 -4.4 64 87 A Q G 3 S+ 0 0 27 1,-0.3 -1,-0.3 596,-0.2 3,-0.2 0.657 98.0 48.6 -68.9 -13.5 10.3 12.6 -7.5 65 88 A F G X S+ 0 0 1 -3,-2.0 3,-1.6 1,-0.1 -1,-0.3 0.252 77.5 106.3-102.7 10.9 6.9 12.5 -9.1 66 89 A K T < S+ 0 0 53 -3,-1.7 -1,-0.1 1,-0.3 -2,-0.1 0.727 80.5 48.9 -71.7 -20.1 5.6 15.8 -7.7 67 90 A N T 3 S+ 0 0 120 -3,-0.2 -1,-0.3 -4,-0.2 3,-0.1 0.310 84.5 109.7-100.4 6.3 5.9 17.7 -11.0 68 91 A K S < S- 0 0 48 -3,-1.6 -15,-0.1 1,-0.1 -16,-0.1 -0.508 88.9 -81.9 -73.3 150.8 4.1 15.1 -13.2 69 92 A P - 0 0 64 0, 0.0 -16,-1.9 0, 0.0 2,-0.4 -0.241 52.2-119.6 -49.2 133.0 0.7 16.1 -14.5 70 93 A S B +f 53 0C 53 -18,-0.2 3,-0.1 1,-0.1 -4,-0.0 -0.677 31.0 179.0 -85.2 139.8 -1.9 15.5 -11.8 71 94 A V - 0 0 0 -18,-2.3 7,-2.8 -2,-0.4 2,-0.3 0.142 61.0 -77.8-118.6 13.6 -4.8 13.1 -12.4 72 95 A G B -G 77 0D 11 -19,-0.5 -16,-1.4 5,-0.3 -15,-0.3 -0.968 57.3 -57.3 133.5-151.9 -6.3 13.5 -8.9 73 96 A G - 0 0 11 3,-2.9 2,-0.5 -2,-0.3 -18,-0.1 -0.619 61.9 -73.2-127.2-172.6 -5.8 12.4 -5.3 74 97 A V S S+ 0 0 24 -2,-0.2 2,-0.3 1,-0.1 -40,-0.0 -0.793 133.7 10.1 -75.0 123.0 -5.6 9.4 -3.0 75 98 A Q S S+ 0 0 109 -2,-0.5 2,-0.4 1,-0.0 -1,-0.1 -0.145 119.7 73.3 105.4 -46.5 -10.1 9.0 -3.6 76 99 A Q - 0 0 152 -2,-0.3 -3,-2.9 2,-0.0 2,-0.4 -0.891 60.8-162.8-115.0 139.7 -10.7 11.5 -6.5 77 100 A V B -G 72 0D 20 -2,-0.4 2,-1.1 -5,-0.2 -5,-0.3 -0.980 14.7-142.6-124.6 131.9 -9.8 11.1 -10.2 78 101 A D > - 0 0 77 -7,-2.8 4,-2.0 -2,-0.4 5,-0.1 -0.753 18.9-177.9 -96.1 97.2 -9.7 13.9 -12.7 79 102 A F H > S+ 0 0 40 -2,-1.1 4,-2.4 1,-0.2 -1,-0.2 0.822 78.8 55.2 -69.1 -33.4 -11.0 12.3 -15.9 80 103 A E H > S+ 0 0 142 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.893 109.1 48.9 -63.7 -43.0 -10.6 15.3 -18.1 81 104 A A H > S+ 0 0 23 2,-0.2 4,-1.4 1,-0.2 -2,-0.2 0.893 110.0 51.1 -59.4 -47.4 -6.9 15.4 -17.2 82 105 A I H X S+ 0 0 0 -4,-2.0 4,-0.7 1,-0.2 3,-0.5 0.952 111.7 47.6 -58.8 -49.2 -6.4 11.7 -17.9 83 106 A N H >< S+ 0 0 60 -4,-2.4 3,-1.3 1,-0.2 -2,-0.2 0.918 107.7 55.7 -55.6 -41.1 -8.1 12.1 -21.3 84 107 A A H 3< S+ 0 0 83 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.795 101.9 57.5 -67.8 -26.7 -5.9 15.1 -22.2 85 108 A L H 3< S- 0 0 40 -4,-1.4 -1,-0.3 -3,-0.5 -2,-0.2 0.692 95.5-145.0 -73.3 -21.2 -2.7 13.1 -21.5 86 109 A K << - 0 0 137 -3,-1.3 -3,-0.1 -4,-0.7 -2,-0.1 0.938 25.8-162.4 54.8 59.0 -3.7 10.5 -24.1 87 110 A P - 0 0 13 0, 0.0 -57,-0.2 0, 0.0 3,-0.1 -0.223 28.3-150.3 -71.6 155.8 -2.2 7.6 -22.2 88 111 A D S S+ 0 0 37 -59,-2.5 2,-0.3 1,-0.3 -58,-0.2 0.600 85.6 16.2 -95.9 -8.2 -1.4 4.2 -23.6 89 112 A L E -d 30 0B 0 -60,-1.4 -58,-2.6 18,-0.1 2,-0.4 -0.966 59.3-160.3-159.0 141.8 -2.0 2.5 -20.3 90 113 A I E -de 31 109B 0 18,-2.3 20,-2.6 -2,-0.3 2,-0.5 -0.983 14.2-156.7-122.5 132.9 -3.8 3.3 -16.9 91 114 A I E +de 32 110B 0 -60,-2.5 -58,-3.0 -2,-0.4 -57,-0.7 -0.971 17.8 170.7-115.3 130.6 -2.8 1.3 -13.8 92 115 A I E - e 0 111B 0 18,-2.5 20,-2.9 -2,-0.5 2,-0.2 -0.848 16.0-159.1-130.1 158.9 -5.2 1.1 -10.9 93 116 A S > - 0 0 9 -2,-0.3 3,-2.2 18,-0.2 4,-0.4 -0.581 53.1 -63.0-122.8-164.8 -5.5 -0.9 -7.6 94 117 A G G > S+ 0 0 38 18,-0.3 3,-1.4 1,-0.3 4,-0.3 0.828 125.9 60.7 -54.2 -40.0 -8.5 -1.7 -5.3 95 118 A R G 3 S+ 0 0 62 1,-0.3 -1,-0.3 2,-0.1 3,-0.2 0.720 110.8 41.5 -60.4 -23.7 -9.3 1.9 -4.4 96 119 A Q G X S+ 0 0 13 -3,-2.2 3,-2.4 1,-0.1 -1,-0.3 0.337 78.8 106.5-107.4 8.5 -10.0 2.8 -8.0 97 120 A S G X S+ 0 0 53 -3,-1.4 3,-1.6 -4,-0.4 4,-0.3 0.841 74.4 62.6 -57.8 -30.7 -11.9 -0.4 -9.1 98 121 A K G 3 S+ 0 0 139 -4,-0.3 -1,-0.3 1,-0.3 4,-0.2 0.649 101.7 52.1 -73.0 -8.8 -15.1 1.7 -9.1 99 122 A F G <> S+ 0 0 38 -3,-2.4 4,-2.4 1,-0.1 5,-0.3 0.352 79.7 107.3 -97.7 2.4 -13.7 3.9 -11.9 100 123 A Y H <> S+ 0 0 15 -3,-1.6 4,-2.7 -4,-0.2 5,-0.2 0.882 74.0 48.1 -55.3 -48.8 -12.8 1.0 -14.1 101 124 A D H > S+ 0 0 127 -4,-0.3 4,-1.1 1,-0.2 -1,-0.2 0.926 115.0 45.7 -60.6 -44.1 -15.4 1.3 -16.8 102 125 A K H > S+ 0 0 113 1,-0.2 4,-0.5 2,-0.2 -1,-0.2 0.891 113.8 48.4 -66.4 -40.2 -14.8 4.9 -17.3 103 126 A L H >X S+ 0 0 0 -4,-2.4 4,-2.2 1,-0.2 3,-1.4 0.894 106.2 58.0 -64.4 -39.6 -11.0 4.6 -17.3 104 127 A K H 3< S+ 0 0 75 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.808 97.4 60.8 -68.6 -24.6 -11.2 1.7 -19.8 105 128 A E H 3< S+ 0 0 170 -4,-1.1 -1,-0.3 -5,-0.2 -2,-0.2 0.737 110.6 43.7 -66.8 -22.2 -13.0 4.0 -22.3 106 129 A I H << S- 0 0 37 -3,-1.4 -2,-0.2 -4,-0.5 -1,-0.2 0.884 130.9 -28.8 -89.7 -50.0 -9.9 6.2 -22.2 107 130 A A S < S- 0 0 7 -4,-2.2 -1,-0.4 -21,-0.0 -18,-0.1 -0.983 83.2 -61.6-160.3 163.6 -7.1 3.5 -22.5 108 131 A P - 0 0 36 0, 0.0 -18,-2.3 0, 0.0 2,-0.5 -0.319 55.2-149.9 -54.9 138.1 -6.3 -0.1 -21.6 109 132 A T E -e 90 0B 0 -20,-0.2 2,-0.5 -89,-0.1 -18,-0.2 -0.974 7.6-158.1-130.6 111.0 -6.6 -0.3 -17.8 110 133 A L E -e 91 0B 3 -20,-2.6 -18,-2.5 -2,-0.5 2,-0.6 -0.808 8.9-147.3 -94.2 125.2 -4.4 -2.8 -15.7 111 134 A F E -e 92 0B 25 -2,-0.5 2,-0.5 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