==== 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 21-JAN-13 3ZK3 . 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 . 287 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12954.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 211 73.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 27 9.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 26 9.1 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 . 3 1.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.3 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 . 22 7.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 40 13.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 81 28.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 2.8 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 5 1 0 3 0 1 0 0 0 0 0 1 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 2 2 1 0 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 . 0 1 1 0 2 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 ANTIPARALLEL BRIDGES PER LADDER . 1 1 1 0 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 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 0 169 0, 0.0 114,-0.1 0, 0.0 2,-0.0 0.000 360.0 360.0 360.0-113.2 9.4 12.8 -7.1 2 25 A P - 0 0 65 0, 0.0 15,-0.1 0, 0.0 16,-0.1 -0.372 360.0-123.7 -61.8 145.8 11.9 15.2 -5.3 3 26 A I - 0 0 97 13,-0.1 14,-0.5 1,-0.1 2,-0.5 -0.231 24.2-101.6 -76.5 166.2 13.7 13.6 -2.4 4 27 A S E -A 16 0A 4 12,-0.2 2,-0.3 118,-0.1 12,-0.2 -0.844 45.4-178.1 -85.5 131.0 13.7 15.0 1.2 5 28 A M E -A 15 0A 119 10,-2.4 10,-3.0 -2,-0.5 2,-0.3 -0.986 1.1-173.6-130.5 145.1 17.0 16.8 1.8 6 29 A S E -A 14 0A 50 -2,-0.3 2,-0.3 8,-0.2 8,-0.2 -0.983 12.8-158.4-142.9 154.4 18.2 18.5 5.1 7 30 A D E -A 13 0A 102 6,-2.1 6,-2.8 -2,-0.3 2,-0.2 -0.985 34.3 -50.6-131.2 132.1 20.9 20.7 6.7 8 31 A E E +A 12 0A 112 -2,-0.3 4,-0.2 4,-0.2 -2,-0.0 -0.856 57.3 0.1 138.2-149.3 22.3 21.4 10.5 9 32 A G S S+ 0 0 31 2,-0.6 3,-0.1 -2,-0.2 -1,-0.1 0.570 98.6 7.1 156.7-159.3 22.0 22.2 14.0 10 33 A D S S+ 0 0 124 1,-0.1 15,-1.7 15,-0.0 2,-0.3 0.328 139.8 2.5 -86.2 -4.8 19.6 23.1 16.9 11 34 A S E S- B 0 24A 19 13,-0.3 -2,-0.6 14,-0.1 2,-0.4 -0.920 83.0-108.9-155.6-172.8 17.3 22.2 14.0 12 35 A F E -AB 8 23A 23 11,-2.0 11,-2.4 -2,-0.3 2,-0.7 -0.986 16.4-139.2-127.8 134.1 17.4 21.0 10.4 13 36 A L E -AB 7 22A 53 -6,-2.8 -6,-2.1 -2,-0.4 2,-0.4 -0.904 34.9-165.5 -89.7 120.5 16.5 23.1 7.3 14 37 A V E -AB 6 21A 7 7,-3.3 7,-2.8 -2,-0.7 2,-0.5 -0.941 19.8-163.1-120.0 130.3 14.5 20.6 5.2 15 38 A K E +AB 5 20A 126 -10,-3.0 -10,-2.4 -2,-0.4 2,-0.3 -0.956 19.8 167.6-108.1 130.7 13.4 20.7 1.5 16 39 A D E > -AB 4 19A 0 3,-2.4 2,-4.0 -2,-0.5 3,-2.5 -0.835 53.4 -82.7-155.5 114.0 10.6 18.3 0.5 17 40 A S T 3 S+ 0 0 54 -14,-0.5 3,-0.1 1,-0.3 -14,-0.1 0.043 127.1 37.5 28.4 -46.2 8.5 18.1 -2.8 18 41 A L T 3 S- 0 0 71 -2,-4.0 2,-0.3 1,-0.3 -1,-0.3 0.663 123.6 -53.3-100.1 -27.6 6.0 20.9 -1.7 19 42 A G E < -B 16 0A 23 -3,-2.5 -3,-2.4 92,-0.1 2,-0.4 -1.000 56.5 -62.8 174.4-169.0 8.4 23.3 0.1 20 43 A E E +B 15 0A 116 -2,-0.3 2,-0.3 -5,-0.2 -5,-0.2 -0.878 40.1 176.5-112.6 133.9 11.0 24.3 2.6 21 44 A N E -B 14 0A 7 -7,-2.8 -7,-3.3 -2,-0.4 2,-0.4 -0.973 26.6-138.2-127.8 151.2 10.6 24.0 6.4 22 45 A K E -B 13 0A 150 -2,-0.3 -9,-0.2 -9,-0.2 -2,-0.0 -0.931 30.7-170.5 -96.7 133.9 12.9 24.7 9.5 23 46 A I E -B 12 0A 1 -11,-2.4 -11,-2.0 -2,-0.4 66,-0.1 -0.967 23.5-119.4-135.0 122.9 12.4 21.9 12.1 24 47 A P E -B 11 0A 60 0, 0.0 -13,-0.3 0, 0.0 64,-0.0 -0.273 35.7-112.6 -62.1 136.0 13.6 21.7 15.7 25 48 A K S S+ 0 0 65 -15,-1.7 110,-0.1 1,-0.2 -14,-0.1 0.715 102.0 18.4 -37.8 -70.6 15.9 18.6 16.3 26 49 A N S S- 0 0 102 -16,-0.2 -1,-0.2 108,-0.1 108,-0.1 -0.682 86.1-157.9-104.6 73.4 14.1 16.2 18.6 27 50 A P - 0 0 2 0, 0.0 3,-0.2 0, 0.0 -2,-0.0 -0.299 7.8-165.5 -63.7 137.5 10.5 17.5 18.1 28 51 A S S S+ 0 0 53 1,-0.2 2,-0.3 22,-0.0 -2,-0.0 0.507 73.3 48.3-103.7 -13.1 8.3 16.6 21.0 29 52 A K S S+ 0 0 76 21,-0.1 59,-1.5 22,-0.0 60,-1.2 -0.743 71.1 167.7-128.2 81.4 4.8 17.2 19.8 30 53 A V E -cd 50 89B 0 19,-2.8 21,-1.1 -2,-0.3 22,-0.9 -0.896 25.8-152.8-110.0 121.5 4.3 15.6 16.4 31 54 A V E -cd 52 90B 0 58,-1.8 60,-2.6 -2,-0.6 2,-0.6 -0.768 16.1-159.6 -80.1 120.9 1.0 15.2 14.7 32 55 A I E + d 0 91B 1 20,-2.2 60,-0.1 -2,-0.5 58,-0.0 -0.912 24.4 167.0-115.0 113.7 1.3 12.2 12.3 33 56 A L + 0 0 2 58,-2.7 2,-0.7 -2,-0.6 59,-0.2 0.390 64.2 81.1-105.9 -3.3 -1.3 11.9 9.4 34 57 A D > - 0 0 6 57,-0.6 4,-1.1 1,-0.1 3,-0.3 -0.935 68.8-157.5 -97.3 116.5 0.7 9.2 7.6 35 58 A L H > S+ 0 0 5 -2,-0.7 4,-1.5 1,-0.3 3,-0.5 0.866 92.9 57.9 -67.9 -35.0 -0.2 5.9 9.3 36 59 A G H > S+ 0 0 0 231,-0.4 4,-2.1 1,-0.2 236,-0.4 0.911 104.5 50.8 -54.8 -44.5 3.1 4.4 7.9 37 60 A I H > S+ 0 0 0 -3,-0.3 4,-2.0 1,-0.2 -1,-0.2 0.734 105.2 59.6 -65.8 -19.1 5.1 7.2 9.7 38 61 A L H X S+ 0 0 0 -4,-1.1 4,-1.7 -3,-0.5 -1,-0.2 0.879 106.1 45.2 -76.8 -36.9 3.1 6.3 12.9 39 62 A D H X S+ 0 0 0 -4,-1.5 4,-2.7 2,-0.2 -2,-0.2 0.917 110.8 55.3 -73.3 -37.0 4.4 2.8 12.8 40 63 A T H X S+ 0 0 0 -4,-2.1 4,-1.9 2,-0.2 -2,-0.2 0.918 105.9 50.4 -55.8 -49.0 7.9 4.1 12.1 41 64 A F H <>S+ 0 0 0 -4,-2.0 5,-2.1 1,-0.2 4,-0.5 0.944 112.2 49.0 -52.7 -45.9 7.8 6.3 15.2 42 65 A D H ><5S+ 0 0 26 -4,-1.7 3,-1.5 1,-0.2 -2,-0.2 0.920 107.9 53.4 -57.8 -44.5 6.7 3.1 17.1 43 66 A A H 3<5S+ 0 0 12 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.842 111.2 46.4 -64.5 -30.0 9.6 1.1 15.6 44 67 A L T 3<5S- 0 0 15 -4,-1.9 -1,-0.3 -3,-0.2 -2,-0.2 0.451 117.6-110.2 -91.1 -3.6 12.2 3.7 16.7 45 68 A K T < 5S+ 0 0 178 -3,-1.5 -3,-0.2 -4,-0.5 -2,-0.1 0.966 81.3 126.0 63.8 56.6 10.7 4.0 20.2 46 69 A L >>< + 0 0 10 -5,-2.1 3,-3.3 -6,-0.1 4,-0.6 0.204 21.5 121.8-122.4 8.1 9.3 7.5 19.7 47 70 A N G >4 S+ 0 0 40 -6,-0.4 3,-1.7 1,-0.3 -5,-0.1 0.846 71.0 60.0 -38.3 -45.6 5.8 6.8 20.7 48 71 A D G 34 S+ 0 0 142 1,-0.3 -1,-0.3 -7,-0.1 -2,-0.1 0.660 95.8 61.1 -64.8 -18.2 6.0 9.5 23.4 49 72 A K G <4 S+ 0 0 73 -3,-3.3 -19,-2.8 -20,-0.1 2,-0.6 0.577 84.8 92.8 -85.1 -13.6 6.8 12.2 20.9 50 73 A V E << +c 30 0B 2 -3,-1.7 -19,-0.2 -4,-0.6 3,-0.1 -0.736 42.7 168.3 -87.3 121.9 3.4 11.6 19.1 51 74 A V E + 0 0 26 -21,-1.1 2,-0.3 -2,-0.6 -20,-0.2 0.661 65.5 28.9-101.4 -23.7 0.8 13.9 20.5 52 75 A G E +c 31 0B 0 -22,-0.9 -20,-2.2 16,-0.1 -1,-0.3 -0.967 54.5 173.4-151.3 123.3 -1.9 13.4 17.8 53 76 A V - 0 0 0 16,-2.2 2,-1.3 -2,-0.3 18,-0.4 -0.994 40.9-112.3-129.3 140.6 -2.9 10.5 15.6 54 77 A P > - 0 0 0 0, 0.0 3,-1.1 0, 0.0 20,-0.2 -0.518 36.2-179.3 -73.7 94.3 -6.0 10.4 13.3 55 78 A A G > + 0 0 42 -2,-1.3 3,-1.2 1,-0.3 18,-0.2 0.454 64.8 83.7 -86.9 -4.5 -8.0 7.6 15.1 56 79 A K G 3 S+ 0 0 97 16,-2.4 -1,-0.3 1,-0.3 17,-0.2 0.921 110.2 29.4 -48.3 -46.6 -11.0 7.6 12.7 57 80 A N G < S+ 0 0 25 -3,-1.1 -1,-0.3 15,-0.6 -2,-0.1 -0.415 85.2 146.1-113.1 52.8 -8.7 5.3 10.7 58 81 A L < - 0 0 18 -3,-1.2 -3,-0.1 -2,-0.1 204,-0.0 -0.803 42.6-135.6 -91.0 113.0 -6.6 3.7 13.5 59 82 A P > - 0 0 0 0, 0.0 3,-2.3 0, 0.0 -2,-0.0 -0.208 19.0-114.5 -65.9 155.6 -5.7 0.1 12.4 60 83 A K G > S+ 0 0 135 1,-0.3 3,-0.9 2,-0.1 -2,-0.0 0.865 118.3 62.0 -48.4 -35.6 -5.9 -2.9 14.6 61 84 A Y G 3 S+ 0 0 32 1,-0.2 -1,-0.3 2,-0.1 3,-0.1 0.456 104.1 46.5 -76.3 2.7 -2.1 -3.0 14.1 62 85 A L G X + 0 0 0 -3,-2.3 3,-1.1 1,-0.1 -1,-0.2 -0.209 67.1 123.4-133.5 42.4 -1.6 0.4 15.8 63 86 A Q G X + 0 0 78 -3,-0.9 3,-0.9 1,-0.3 -2,-0.1 0.460 59.0 79.9 -91.7 2.0 -3.7 0.1 18.9 64 87 A Q G 3 S+ 0 0 95 1,-0.2 3,-0.3 2,-0.1 -1,-0.3 0.616 96.3 51.3 -63.3 -15.5 -0.7 0.9 21.1 65 88 A F G X S+ 0 0 2 -3,-1.1 3,-1.7 1,-0.2 -1,-0.2 0.232 76.4 107.2-106.2 8.2 -1.8 4.4 19.9 66 89 A K T < S+ 0 0 135 -3,-0.9 -1,-0.2 1,-0.3 -2,-0.1 0.637 76.1 55.4 -57.6 -20.9 -5.4 3.9 21.0 67 90 A N T 3 S+ 0 0 143 -3,-0.3 -1,-0.3 -4,-0.1 -2,-0.1 0.457 86.4 103.3 -96.8 -6.1 -4.8 6.3 23.9 68 91 A K S < S- 0 0 58 -3,-1.7 -16,-0.1 1,-0.1 -13,-0.1 -0.504 82.0 -96.6 -78.8 148.4 -3.6 9.2 21.8 69 92 A P - 0 0 61 0, 0.0 -16,-2.2 0, 0.0 2,-0.3 -0.227 42.2-122.5 -50.8 146.0 -5.8 12.2 21.0 70 93 A S - 0 0 53 -18,-0.2 3,-0.1 -16,-0.1 -3,-0.0 -0.754 24.8-173.2 -98.0 146.7 -7.5 12.1 17.6 71 94 A V - 0 0 0 -18,-0.4 7,-2.9 -2,-0.3 2,-0.7 0.042 53.7-117.2-114.4 17.0 -7.1 14.6 14.8 72 95 A G E -F 77 0C 19 -19,-0.4 -16,-2.4 5,-0.2 -15,-0.6 -0.793 56.0 -21.4 92.9-114.4 -9.8 12.7 12.9 73 96 A G E > -F 76 0C 1 3,-3.5 3,-0.8 -2,-0.7 -18,-0.1 -0.835 56.4 -99.1-142.2 165.7 -9.1 11.1 9.6 74 97 A V T 3 S+ 0 0 13 1,-0.3 3,-0.2 -2,-0.2 -41,-0.0 0.761 126.2 14.4 -67.5 -29.4 -6.8 11.0 6.5 75 98 A Q T 3 S+ 0 0 97 1,-0.1 -1,-0.3 21,-0.0 -3,-0.0 -0.054 125.3 64.4-127.4 27.1 -9.2 13.1 4.3 76 99 A Q E < S+F 73 0C 143 -3,-0.8 -3,-3.5 -5,-0.1 2,-0.5 -0.586 74.7 173.7-133.5 72.8 -11.3 14.2 7.2 77 100 A V E -F 72 0C 15 -5,-0.2 2,-0.9 -3,-0.2 -5,-0.2 -0.724 24.0-147.4 -84.0 125.2 -8.5 16.2 9.0 78 101 A D >> - 0 0 73 -7,-2.9 4,-2.1 -2,-0.5 3,-0.5 -0.809 13.9-175.0-100.2 97.6 -9.8 18.2 12.0 79 102 A F H 3> S+ 0 0 40 -2,-0.9 4,-3.0 1,-0.3 5,-0.2 0.915 84.7 55.4 -61.7 -43.1 -7.7 21.3 12.2 80 103 A E H 3> S+ 0 0 144 1,-0.2 4,-1.7 2,-0.2 -1,-0.3 0.805 107.4 52.2 -60.9 -29.7 -9.2 22.5 15.5 81 104 A A H <> S+ 0 0 20 -3,-0.5 4,-0.8 2,-0.2 -1,-0.2 0.939 111.7 45.8 -66.1 -47.5 -8.1 19.1 16.8 82 105 A I H >X S+ 0 0 0 -4,-2.1 3,-0.6 1,-0.2 4,-0.5 0.867 110.3 52.6 -62.4 -39.5 -4.6 19.7 15.5 83 106 A N H >< S+ 0 0 64 -4,-3.0 3,-1.4 1,-0.2 -1,-0.2 0.939 104.3 58.6 -66.8 -37.6 -4.5 23.3 16.9 84 107 A A H 3< S+ 0 0 82 -4,-1.7 -1,-0.2 1,-0.3 -2,-0.2 0.683 103.8 49.7 -65.1 -23.4 -5.5 21.9 20.4 85 108 A L H << S- 0 0 43 -4,-0.8 -1,-0.3 -3,-0.6 -2,-0.2 0.580 99.3-137.4 -91.2 -6.4 -2.5 19.6 20.7 86 109 A K << - 0 0 138 -3,-1.4 2,-0.2 -4,-0.5 -3,-0.1 0.938 23.8-156.3 44.0 70.1 0.1 22.3 19.8 87 110 A P - 0 0 11 0, 0.0 -57,-0.2 0, 0.0 -1,-0.1 -0.417 27.5-161.3 -70.2 138.5 2.6 20.5 17.4 88 111 A D S S+ 0 0 30 -59,-1.5 2,-0.3 1,-0.2 -58,-0.2 0.401 89.4 28.2 -89.3 1.1 6.2 21.4 16.7 89 112 A L E -d 30 0B 0 -60,-1.2 -58,-1.8 18,-0.1 2,-0.4 -0.962 61.0-163.0-157.5 143.3 5.8 19.2 13.5 90 113 A I E -de 31 109B 0 18,-2.8 20,-2.1 -2,-0.3 2,-0.5 -0.998 15.3-162.4-125.0 118.9 3.0 18.1 11.2 91 114 A I E +de 32 110B 0 -60,-2.6 -58,-2.7 -2,-0.4 -57,-0.6 -0.943 19.1 162.9-110.8 121.5 3.8 15.1 8.9 92 115 A I E - e 0 111B 0 18,-2.2 20,-2.9 -2,-0.5 2,-0.2 -0.773 18.9-164.7-126.5 166.7 1.7 14.4 5.8 93 116 A S >> - 0 0 14 -2,-0.2 3,-2.5 18,-0.2 4,-0.7 -0.598 55.8 -52.0-137.6-159.8 1.6 12.5 2.5 94 117 A G T 34 S+ 0 0 52 1,-0.3 4,-0.3 2,-0.2 3,-0.1 0.653 122.6 66.6 -59.9 -25.4 -0.4 12.5 -0.7 95 118 A R T 34 S+ 0 0 37 1,-0.2 -1,-0.3 2,-0.1 -61,-0.0 0.618 114.6 31.2 -72.9 -12.3 -3.8 12.4 0.8 96 119 A Q T X4 S+ 0 0 1 -3,-2.5 3,-3.7 2,-0.1 4,-0.3 0.420 79.1 111.8-120.3 -6.3 -3.2 15.8 2.3 97 120 A S G >< S+ 0 0 43 -4,-0.7 3,-0.8 1,-0.3 -2,-0.1 0.777 80.8 59.6 -37.1 -33.1 -0.9 17.5 -0.4 98 121 A K G 3 S+ 0 0 142 -4,-0.3 -1,-0.3 1,-0.2 3,-0.2 0.728 102.8 48.6 -70.1 -26.4 -4.0 19.6 -1.0 99 122 A F G <> S+ 0 0 46 -3,-3.7 4,-1.9 1,-0.2 -1,-0.2 0.104 76.4 116.3 -96.7 21.8 -4.1 21.1 2.7 100 123 A Y H <> + 0 0 20 -3,-0.8 4,-1.7 -4,-0.3 -1,-0.2 0.786 69.8 50.3 -73.6 -30.7 -0.4 22.0 3.0 101 124 A D H > S+ 0 0 117 -3,-0.2 4,-0.7 1,-0.2 -1,-0.2 0.944 114.4 46.3 -65.8 -47.6 -0.7 25.8 3.4 102 125 A K H > S+ 0 0 109 2,-0.2 4,-0.8 1,-0.2 3,-0.2 0.805 112.5 48.4 -65.9 -37.5 -3.2 25.4 6.2 103 126 A L H >X S+ 0 0 0 -4,-1.9 4,-1.6 1,-0.2 3,-0.6 0.903 105.1 58.6 -72.8 -37.4 -1.3 22.7 8.0 104 127 A K H 3< S+ 0 0 66 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.735 95.9 65.9 -67.6 -19.5 1.9 24.7 7.9 105 128 A E H 3< S+ 0 0 147 -4,-0.7 -1,-0.2 -3,-0.2 -2,-0.2 0.938 104.4 43.2 -61.2 -45.6 0.1 27.5 9.7 106 129 A I H << S- 0 0 35 -4,-0.8 -2,-0.2 -3,-0.6 -1,-0.2 0.883 135.9 -28.7 -70.3 -39.0 -0.2 25.4 12.9 107 130 A A S < S- 0 0 7 -4,-1.6 -1,-0.2 -19,-0.1 -19,-0.1 -0.976 85.7 -60.9-167.6 162.3 3.4 24.0 12.7 108 131 A P - 0 0 39 0, 0.0 -18,-2.8 0, 0.0 2,-0.5 -0.412 55.1-146.1 -60.2 139.7 6.1 23.1 10.2 109 132 A T E -e 90 0B 0 -20,-0.2 2,-0.4 -89,-0.1 -18,-0.2 -0.926 10.4-161.6-124.3 108.9 4.8 20.5 7.8 110 133 A L E -e 91 0B 4 -20,-2.1 -18,-2.2 -2,-0.5 2,-0.5 -0.741 13.0-140.6 -94.1 133.6 7.0 17.7 6.3 111 134 A F E +e 92 0B 25 -2,-0.4 -18,-0.2 -20,-0.2 -92,-0.1 -0.847 22.9 172.8-103.1 123.7 5.8 15.8 3.2 112 135 A V + 0 0 1 -20,-2.9 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A K T << S+ 0 0 141 -3,-1.2 -1,-0.2 -4,-0.7 -2,-0.2 0.461 86.7 106.1 -81.4 0.8 -12.6 -20.6 -14.0 248 271 A T S <> S- 0 0 0 -3,-1.1 4,-2.9 -4,-0.2 5,-0.2 -0.433 80.3-123.5 -92.4 146.3 -9.4 -18.7 -13.4 249 272 A K H > S+ 0 0 80 1,-0.2 4,-2.3 2,-0.2 -30,-0.2 0.875 113.4 53.8 -53.3 -37.4 -6.0 -20.3 -12.5 250 273 A A H 4>S+ 0 0 0 -32,-1.6 5,-3.7 2,-0.2 6,-0.3 0.918 112.1 41.3 -64.5 -45.7 -5.9 -18.2 -9.3 251 274 A A H >45S+ 0 0 24 -6,-0.4 3,-2.0 3,-0.2 -2,-0.2 0.945 113.6 53.2 -70.7 -47.6 -9.3 -19.3 -8.1 252 275 A Q H 3<5S+ 0 0 129 -4,-2.9 -2,-0.2 1,-0.3 -1,-0.2 0.927 114.9 42.3 -50.8 -45.3 -8.7 -23.0 -9.1 253 276 A N T 3<5S- 0 0 94 -4,-2.3 -1,-0.3 -5,-0.2 -2,-0.2 0.134 115.0-111.8 -92.1 19.1 -5.4 -23.0 -7.1 254 277 A K T < 5S+ 0 0 181 -3,-2.0 -3,-0.2 1,-0.1 -2,-0.1 0.825 76.8 131.7 48.4 39.9 -6.7 -21.1 -4.1 255 278 A K < + 0 0 52 -5,-3.7 -34,-2.3 -6,-0.2 2,-1.0 -0.070 18.6 122.2-109.8 33.0 -4.5 -18.1 -4.9 256 279 A I E -k 221 0D 42 -6,-0.3 2,-0.6 -36,-0.2 -34,-0.2 -0.830 52.9-160.6 -83.0 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