==== 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 METAL TRANSPORT 07-JUL-08 3DP8 . COMPND 2 MOLECULE: NICKEL-BINDING PERIPLASMIC PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR M.V.CHERRIER,C.CAVAZZA,C.BOCHOT,D.LEMAIRE,J.C.FONTECILLA-CAM . 1491 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 58495.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 997 66.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 55 3.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 221 14.8 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 12 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 8 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 5 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 4 0.3 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 . 113 7.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 174 11.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 339 22.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 20 1.3 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 8 5 3 4 3 9 1 3 2 0 3 0 3 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 3 0 0 1 2 3 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 5 4 4 15 5 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 3 4 5 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 2 A A > 0 0 104 0, 0.0 3,-1.5 0, 0.0 2,-0.5 0.000 360.0 360.0 360.0 56.7 29.0 -42.0 83.8 2 3 A P T 3 + 0 0 115 0, 0.0 3,-0.1 0, 0.0 188,-0.0 -0.870 360.0 42.2 -77.0 144.8 29.3 -42.5 80.2 3 4 A D T 3 S+ 0 0 52 -2,-0.5 188,-2.5 189,-0.1 189,-0.9 -0.292 95.5 85.9-127.9 72.1 27.2 -43.7 78.5 4 5 A E E < -a 192 0A 87 -3,-1.5 2,-0.3 187,-0.2 189,-0.2 -0.875 53.6-159.9-125.0 155.6 24.2 -42.0 80.0 5 6 A I E -a 193 0A 2 187,-2.2 189,-2.2 -2,-0.3 2,-0.4 -0.961 9.3-143.5-142.6 152.0 22.7 -38.7 79.1 6 7 A T E +a 194 0A 35 -2,-0.3 208,-1.9 187,-0.2 209,-1.2 -0.953 25.3 161.3-118.9 144.7 20.5 -36.0 80.5 7 8 A T E -a 195 0A 4 187,-2.7 189,-2.3 -2,-0.4 2,-0.3 -0.646 26.3-124.6-140.1-169.9 17.9 -33.9 78.6 8 9 A A E +a 196 0A 4 207,-0.3 209,-0.3 187,-0.2 189,-0.2 -0.939 17.3 179.9-144.1 162.8 14.9 -31.8 79.3 9 10 A W E -a 197 0A 51 187,-1.6 189,-2.2 -2,-0.3 4,-0.0 -0.915 35.7-123.9-159.9 141.6 11.3 -31.7 78.2 10 11 A P S S+ 0 0 48 0, 0.0 2,-0.3 0, 0.0 187,-0.1 0.657 92.3 25.6 -79.3 -7.4 8.8 -29.2 79.4 11 12 A V S S- 0 0 66 187,-0.1 187,-0.1 185,-0.1 2,-0.0 -0.935 94.2 -84.9-136.8 167.4 6.4 -31.9 80.6 12 13 A N - 0 0 25 -2,-0.3 159,-0.0 1,-0.1 163,-0.0 -0.342 42.4-114.3 -63.8 156.7 6.4 -35.5 81.8 13 14 A V - 0 0 0 1,-0.2 12,-2.2 182,-0.1 3,-0.3 0.739 54.1-134.9 -71.1 -26.3 6.3 -38.1 79.1 14 15 A G - 0 0 17 10,-0.2 -1,-0.2 1,-0.2 10,-0.1 -0.285 39.9 -43.3 97.4 177.3 2.9 -39.3 80.3 15 16 A P - 0 0 83 0, 0.0 -1,-0.2 0, 0.0 9,-0.1 0.692 69.2-134.6 -55.8 -25.6 1.2 -42.8 80.9 16 17 A L + 0 0 0 -3,-0.3 -2,-0.1 1,-0.2 150,-0.1 0.825 39.3 167.9 69.3 32.1 2.8 -44.1 77.6 17 18 A N > - 0 0 4 4,-0.1 3,-1.0 1,-0.1 -1,-0.2 -0.668 30.3-146.9 -62.9 120.9 -0.4 -45.8 76.3 18 19 A P T 3 S+ 0 0 2 0, 0.0 121,-0.3 0, 0.0 -1,-0.1 0.610 91.6 49.9 -72.3 -4.1 0.5 -46.6 72.7 19 20 A H T 3 S+ 0 0 3 132,-0.1 2,-0.2 117,-0.1 132,-0.1 0.308 99.4 67.1-125.5 2.6 -3.0 -46.0 71.6 20 21 A L < - 0 0 47 -3,-1.0 132,-0.0 1,-0.2 2,-0.0 -0.689 62.9-142.6-117.8-179.4 -4.0 -42.7 73.1 21 22 A Y > + 0 0 15 1,-0.4 3,-2.8 -2,-0.2 -1,-0.2 0.259 55.1 53.8-114.4-128.7 -3.0 -39.1 72.5 22 23 A T T 3 S+ 0 0 102 1,-0.3 -1,-0.4 -8,-0.0 3,-0.1 -0.220 109.7 22.4 -57.9 136.6 -2.5 -36.2 74.9 23 24 A P T 3 S+ 0 0 76 0, 0.0 -1,-0.3 0, 0.0 2,-0.1 -0.936 101.5 95.0 -94.5 18.2 -0.8 -36.2 77.3 24 25 A N S < S- 0 0 7 -3,-2.8 2,-0.5 -10,-0.1 -10,-0.2 -0.475 75.1-133.2 -62.5 133.1 1.3 -39.1 75.9 25 26 A Q > - 0 0 43 -12,-2.2 4,-2.0 1,-0.1 3,-0.4 -0.826 7.3-139.8 -96.0 133.1 4.3 -37.5 74.2 26 27 A M H > S+ 0 0 35 -2,-0.5 4,-2.2 1,-0.2 5,-0.1 0.783 97.8 56.5 -65.4 -34.7 4.9 -38.9 70.8 27 28 A F H > S+ 0 0 5 2,-0.2 4,-0.8 1,-0.2 -1,-0.2 0.923 111.5 46.8 -65.4 -36.5 8.7 -39.1 70.9 28 29 A A H >> S+ 0 0 0 -3,-0.4 4,-1.4 2,-0.2 3,-1.1 0.947 108.8 52.2 -69.0 -47.4 8.4 -41.2 74.1 29 30 A Q H 3X S+ 0 0 1 -4,-2.0 4,-2.7 1,-0.3 3,-0.4 0.892 110.6 50.8 -52.5 -39.1 5.7 -43.5 72.6 30 31 A S H 3< S+ 0 0 20 -4,-2.2 -1,-0.3 1,-0.2 -2,-0.2 0.663 103.7 58.4 -77.8 -18.0 8.1 -44.0 69.7 31 32 A M H << S+ 0 0 1 -3,-1.1 133,-1.1 -4,-0.8 -1,-0.2 0.848 119.4 27.0 -73.8 -34.4 11.0 -44.8 72.0 32 33 A V H < S+ 0 0 3 -4,-1.4 130,-3.0 -3,-0.4 2,-0.3 0.831 115.5 58.2 -99.2 -39.1 9.0 -47.8 73.6 33 34 A Y < - 0 0 1 -4,-2.7 108,-0.1 -5,-0.2 127,-0.1 -0.713 63.4-161.1-104.8 146.2 6.7 -49.0 70.9 34 35 A E - 0 0 7 -2,-0.3 106,-1.3 106,-0.3 2,-0.2 -0.825 10.2-131.1-122.3 157.8 7.6 -50.2 67.4 35 36 A P - 0 0 1 0, 0.0 14,-1.5 0, 0.0 15,-0.2 -0.577 24.7-111.2-105.4 177.6 5.5 -50.6 64.1 36 37 A L S S+ 0 0 1 102,-0.5 14,-2.4 96,-0.4 12,-1.5 0.875 107.8 20.5 -67.3 -31.4 5.0 -53.3 61.5 37 38 A V E S-D 47 0B 0 95,-0.2 2,-0.5 10,-0.2 -1,-0.2 -0.989 79.5-132.2-148.9 133.8 6.9 -51.2 59.0 38 39 A K E -D 46 0B 60 8,-2.6 8,-1.8 -2,-0.3 96,-0.1 -0.830 22.8-122.6-105.3 127.3 9.4 -48.3 59.5 39 40 A Y E -D 45 0B 32 -2,-0.5 2,-0.3 94,-0.4 6,-0.2 -0.325 25.4-156.6 -68.9 142.0 9.2 -45.0 57.6 40 41 A Q > - 0 0 41 4,-2.5 3,-1.9 446,-0.1 -1,-0.0 -0.823 28.6-113.4-118.0 155.8 12.1 -43.8 55.5 41 42 A A T 3 S+ 0 0 57 -2,-0.3 -1,-0.1 1,-0.3 -2,-0.0 0.883 113.9 62.7 -57.2 -40.4 13.2 -40.3 54.3 42 43 A D T 3 S- 0 0 109 1,-0.1 -1,-0.3 939,-0.0 3,-0.1 0.619 121.1-106.5 -60.7 -13.1 12.5 -41.3 50.6 43 44 A G S < S+ 0 0 29 -3,-1.9 -1,-0.1 1,-0.4 -2,-0.1 0.203 87.7 112.3 103.6 -11.8 8.8 -41.8 51.6 44 45 A S - 0 0 45 -5,-0.1 -4,-2.5 1,-0.0 -1,-0.4 -0.164 60.4-130.2 -81.2-176.9 9.1 -45.5 51.4 45 46 A V E -D 39 0B 23 -6,-0.2 -6,-0.2 -3,-0.1 85,-0.1 -0.887 11.5-150.6-129.7 158.4 8.9 -48.0 54.2 46 47 A I E -D 38 0B 62 -8,-1.8 -8,-2.6 -2,-0.3 5,-0.0 -0.963 34.9 -88.0-128.1 154.1 11.1 -50.9 55.2 47 48 A P E +D 37 0B 66 0, 0.0 -10,-0.2 0, 0.0 4,-0.2 -0.270 55.5 154.8 -55.9 141.5 10.3 -54.2 57.0 48 49 A W S S- 0 0 54 -12,-1.5 -11,-0.2 2,-1.1 -12,-0.2 0.047 74.7 -7.7-127.4-110.2 10.5 -53.8 60.7 49 50 A L S S+ 0 0 0 -14,-1.5 18,-2.1 -2,-0.1 2,-0.6 0.844 132.8 65.7 -55.2 -37.9 8.5 -56.1 63.1 50 51 A A E S-E 66 0C 0 -14,-2.4 -2,-1.1 16,-0.2 16,-0.3 -0.823 70.7-168.3 -89.0 121.9 6.9 -57.4 59.9 51 52 A K E - 0 0 101 14,-2.3 2,-0.3 -2,-0.6 15,-0.2 0.763 66.8 -11.2 -78.6 -29.1 9.7 -59.2 58.0 52 53 A S E -E 65 0C 64 13,-1.1 13,-2.3 -3,-0.1 2,-0.3 -0.987 58.6-165.4-165.4 162.8 7.5 -59.5 54.8 53 54 A W E -E 64 0C 64 -2,-0.3 2,-0.3 11,-0.3 11,-0.2 -0.992 4.0-164.7-157.5 158.7 4.1 -59.2 53.4 54 55 A T E -E 63 0C 91 9,-1.5 9,-2.9 -2,-0.3 2,-0.4 -0.930 13.0-150.1-137.8 164.0 2.0 -60.0 50.4 55 56 A H E -E 62 0C 113 -2,-0.3 7,-0.2 7,-0.2 -2,-0.0 -0.987 21.8-104.1-138.8 147.9 -1.4 -58.8 49.2 56 57 A S > - 0 0 38 5,-2.1 3,-1.6 -2,-0.4 5,-0.1 -0.191 40.4-109.7 -56.3 156.8 -4.4 -60.0 47.3 57 58 A E T 3 S+ 0 0 209 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.888 122.2 55.4 -62.2 -35.5 -4.7 -58.8 43.7 58 59 A D T 3 S- 0 0 91 1,-0.1 -1,-0.3 3,-0.0 66,-0.1 0.563 110.4-131.6 -77.8 -2.1 -7.6 -56.6 44.5 59 60 A G S < S+ 0 0 10 -3,-1.6 66,-0.5 2,-0.2 -2,-0.1 0.553 77.7 107.5 70.4 13.4 -5.2 -55.1 47.1 60 61 A K + 0 0 89 64,-0.2 61,-3.9 1,-0.1 2,-0.5 0.595 66.2 62.6 -94.6 -13.0 -7.6 -55.3 50.1 61 62 A T E - F 0 120C 44 59,-0.2 -5,-2.1 -5,-0.1 2,-0.4 -0.957 63.1-169.6-127.5 123.2 -6.1 -58.2 52.0 62 63 A W E -EF 55 119C 31 57,-3.9 57,-2.3 -2,-0.5 2,-0.6 -0.911 8.3-164.3-120.7 131.0 -2.6 -58.1 53.5 63 64 A T E -EF 54 118C 29 -9,-2.9 -9,-1.5 -2,-0.4 2,-0.5 -0.923 8.9-166.0-119.4 113.5 -0.6 -60.9 55.1 64 65 A F E -EF 53 117C 0 53,-2.3 53,-2.8 -2,-0.6 2,-1.1 -0.818 15.2-146.9 -97.7 123.5 2.4 -60.0 57.1 65 66 A T E -EF 52 116C 47 -13,-2.3 -14,-2.3 -2,-0.5 -13,-1.1 -0.808 28.1-149.0 -82.9 96.3 5.0 -62.5 58.1 66 67 A L E -E 50 0C 2 49,-1.5 -16,-0.2 -2,-1.1 2,-0.2 -0.077 24.1 -93.5 -54.4 161.9 6.0 -61.2 61.5 67 68 A R - 0 0 69 -18,-2.1 3,-0.3 1,-0.1 -1,-0.1 -0.606 29.3-145.9 -76.6 147.2 9.6 -61.6 62.8 68 69 A D S S+ 0 0 117 -2,-0.2 10,-0.2 1,-0.2 2,-0.1 0.766 85.7 60.0 -85.0 -22.6 9.9 -64.8 65.0 69 70 A D S S+ 0 0 62 8,-0.1 2,-0.5 115,-0.0 -1,-0.2 -0.229 75.0 113.5-107.2 33.5 12.5 -63.5 67.5 70 71 A V + 0 0 2 8,-0.5 8,-2.2 -3,-0.3 2,-0.4 -0.933 33.8 170.6-118.5 132.0 10.9 -60.5 69.1 71 72 A K B -H 77 0D 113 -2,-0.5 2,-0.3 111,-0.4 113,-0.2 -0.996 33.8-110.8-134.6 136.3 9.8 -60.3 72.6 72 73 A F - 0 0 0 4,-1.2 89,-0.2 -2,-0.4 6,-0.1 -0.629 42.6-103.3 -48.9 140.6 8.6 -57.4 74.8 73 74 A S S S+ 0 0 23 87,-0.5 108,-0.1 -2,-0.3 109,-0.1 -0.040 117.1 64.7 91.1 -72.1 10.8 -56.5 77.2 74 75 A N S S- 0 0 64 86,-0.1 -1,-0.2 2,-0.1 87,-0.1 0.215 120.7-100.4 -88.5 10.0 9.0 -58.1 80.1 75 76 A G S S+ 0 0 49 1,-0.3 -2,-0.1 107,-0.1 0, 0.0 -0.071 80.5 132.6 100.2 -28.5 9.9 -61.4 78.4 76 77 A E - 0 0 64 1,-0.1 -4,-1.2 -5,-0.1 -1,-0.3 -0.097 60.7 -99.3 -61.2 154.9 6.5 -62.2 76.8 77 78 A P B -H 71 0D 80 0, 0.0 2,-0.6 0, 0.0 -6,-0.2 -0.439 19.6-139.8 -85.5 149.3 6.4 -63.2 73.2 78 79 A F + 0 0 5 -8,-2.2 -8,-0.5 -10,-0.2 2,-0.3 -0.952 44.0 143.1-106.9 117.8 5.6 -61.0 70.2 79 80 A D >> - 0 0 42 -2,-0.6 3,-2.6 -13,-0.0 4,-1.6 -0.927 66.9 -85.1-149.5 157.9 3.4 -62.9 67.8 80 81 A A H 3> S+ 0 0 0 34,-1.9 4,-2.7 -2,-0.3 5,-0.2 0.731 123.5 60.9 -37.7 -33.7 0.5 -62.4 65.4 81 82 A E H 3> S+ 0 0 117 33,-0.2 4,-1.2 2,-0.2 -1,-0.3 0.819 104.6 47.5 -74.0 -28.6 -1.9 -62.9 68.3 82 83 A A H <> S+ 0 0 1 -3,-2.6 4,-2.5 2,-0.2 -2,-0.2 0.947 112.9 48.8 -71.3 -47.9 -0.5 -59.9 70.2 83 84 A A H X S+ 0 0 0 -4,-1.6 4,-2.6 1,-0.2 5,-0.2 0.962 110.1 51.0 -54.0 -57.8 -0.6 -57.7 67.0 84 85 A A H X S+ 0 0 10 -4,-2.7 4,-2.6 1,-0.2 -1,-0.2 0.867 109.2 52.2 -47.8 -41.1 -4.2 -58.7 66.3 85 86 A E H X S+ 0 0 46 -4,-1.2 4,-2.8 2,-0.2 -1,-0.2 0.918 108.5 49.5 -70.4 -40.8 -5.1 -57.9 69.9 86 87 A N H X S+ 0 0 2 -4,-2.5 4,-3.4 2,-0.2 5,-0.2 0.963 111.3 49.5 -53.4 -56.4 -3.6 -54.3 69.7 87 88 A F H X S+ 0 0 2 -4,-2.6 4,-3.5 1,-0.2 5,-0.3 0.968 112.9 46.9 -50.0 -55.2 -5.5 -53.6 66.4 88 89 A R H X S+ 0 0 84 -4,-2.6 4,-1.7 -5,-0.2 -1,-0.2 0.926 111.7 51.4 -50.5 -43.3 -8.6 -54.8 68.1 89 90 A A H < S+ 0 0 0 -4,-2.8 4,-0.4 2,-0.2 62,-0.4 0.914 113.2 45.6 -66.1 -37.8 -7.8 -52.6 71.1 90 91 A V H >< S+ 0 0 1 -4,-3.4 3,-2.6 1,-0.2 -2,-0.2 0.976 110.4 51.7 -61.8 -59.2 -7.3 -49.6 68.8 91 92 A L H >< S+ 0 0 28 -4,-3.5 3,-1.4 1,-0.3 -2,-0.2 0.705 95.2 69.4 -61.7 -19.7 -10.4 -50.2 66.7 92 93 A D T 3< S+ 0 0 71 -4,-1.7 -1,-0.3 -5,-0.3 3,-0.2 0.794 107.4 40.9 -63.6 -21.5 -12.6 -50.4 69.9 93 94 A N T X> S+ 0 0 35 -3,-2.6 3,-2.6 -4,-0.4 4,-0.7 0.153 81.8 138.8-107.5 18.1 -11.8 -46.6 70.1 94 95 A R G X4 + 0 0 85 -3,-1.4 3,-0.7 1,-0.3 -1,-0.2 0.674 60.3 59.9 -38.1 -41.3 -12.2 -46.1 66.3 95 96 A Q G >4 S+ 0 0 184 1,-0.3 3,-0.7 -3,-0.2 -1,-0.3 0.782 102.5 54.7 -67.2 -25.2 -14.1 -42.8 66.4 96 97 A R G <4 S+ 0 0 116 -3,-2.6 3,-0.4 1,-0.2 -1,-0.3 0.801 109.7 47.2 -69.8 -35.2 -11.1 -41.1 68.2 97 98 A H G X< S+ 0 0 0 -3,-0.7 3,-1.8 -4,-0.7 6,-0.4 0.123 77.6 110.1 -90.9 16.4 -8.7 -42.3 65.4 98 99 A A T < + 0 0 15 -3,-0.7 -1,-0.2 1,-0.3 6,-0.1 0.708 62.4 72.5 -75.9 -18.6 -11.0 -41.1 62.6 99 100 A W T 3 S+ 0 0 15 -3,-0.4 2,-0.6 -4,-0.1 -1,-0.3 0.750 92.1 66.7 -52.7 -31.7 -8.5 -38.3 61.7 100 101 A L S X> S- 0 0 0 -3,-1.8 3,-1.0 1,-0.2 4,-0.9 -0.868 78.7-152.1-100.8 116.6 -6.4 -41.2 60.3 101 102 A E H 3> S+ 0 0 22 -2,-0.6 4,-0.8 1,-0.2 3,-0.4 0.874 90.2 69.1 -61.7 -36.8 -8.1 -42.7 57.3 102 103 A L H >> S+ 0 0 0 1,-0.2 4,-1.4 2,-0.2 3,-1.2 0.870 96.4 56.7 -40.7 -45.3 -6.4 -46.1 57.9 103 104 A A H X4 S+ 0 0 0 -3,-1.0 3,-0.6 -6,-0.4 -1,-0.2 0.943 104.8 49.5 -53.6 -54.7 -8.6 -46.4 61.0 104 105 A N H 3< S+ 0 0 49 -4,-0.9 -1,-0.3 -3,-0.4 -2,-0.2 0.627 114.5 51.0 -56.3 -16.0 -11.8 -45.9 59.0 105 106 A Q H << S+ 0 0 11 -3,-1.2 17,-2.4 -4,-0.8 2,-0.3 0.690 73.5 102.8 -99.7 -28.4 -10.4 -48.7 56.6 106 107 A I E << -G 121 0C 2 -4,-1.4 15,-0.3 -3,-0.6 3,-0.1 -0.499 42.4-176.6 -65.4 121.4 -9.4 -51.8 58.6 107 108 A V E - 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0 0 10 -3,-1.9 3,-2.4 1,-0.1 -169,-0.0 -0.759 61.6-150.0 -84.9 119.8 -17.7 -22.3 54.1 425 426 A A T 3 S+ 0 0 111 -2,-0.6 4,-0.3 1,-0.3 -1,-0.1 0.792 103.6 60.0 -43.2 -28.9 -20.4 -23.0 51.5 426 427 A D T 3> S+ 0 0 29 1,-0.2 4,-2.1 2,-0.1 3,-0.4 0.565 78.8 96.7 -79.3 -14.9 -17.4 -24.9 49.8 427 428 A K H <> S+ 0 0 7 -3,-2.4 4,-2.8 1,-0.3 5,-0.2 0.803 77.8 48.9 -59.2 -46.9 -16.9 -27.2 52.7 428 429 A P H > S+ 0 0 97 0, 0.0 4,-2.2 0, 0.0 -1,-0.3 0.907 113.3 52.0 -61.4 -34.1 -18.8 -30.4 51.7 429 430 A L H > S+ 0 0 66 -3,-0.4 4,-2.3 -4,-0.3 -2,-0.2 0.931 109.8 47.6 -62.6 -46.0 -17.0 -30.1 48.3 430 431 A I H X S+ 0 0 0 -4,-2.1 4,-2.8 1,-0.2 5,-0.2 0.916 111.6 50.5 -63.8 -42.9 -13.6 -29.9 50.0 431 432 A D H X S+ 0 0 31 -4,-2.8 4,-1.9 1,-0.2 -1,-0.2 0.865 110.2 50.2 -64.5 -35.6 -14.4 -32.9 52.3 432 433 A K H X S+ 0 0 134 -4,-2.2 4,-2.5 -5,-0.2 -1,-0.2 0.939 112.5 47.5 -66.7 -42.2 -15.5 -35.0 49.3 433 434 A E H X S+ 0 0 28 -4,-2.3 4,-3.3 2,-0.2 -2,-0.2 0.896 107.3 53.7 -70.1 -40.3 -12.2 -34.1 47.5 434 435 A I H X S+ 0 0 0 -4,-2.8 4,-1.6 2,-0.2 -1,-0.2 0.962 109.9 51.1 -50.0 -51.0 -10.0 -34.9 50.4 435 436 A G H >X S+ 0 0 22 -4,-1.9 4,-1.0 1,-0.2 3,-0.5 0.941 111.0 47.2 -52.1 -48.1 -11.8 -38.2 50.4 436 437 A E H >X S+ 0 0 70 -4,-2.5 4,-2.6 1,-0.2 3,-0.7 0.902 105.1 59.9 -67.6 -33.8 -11.0 -38.6 46.7 437 438 A V H 3< S+ 0 0 0 -4,-3.3 -1,-0.2 1,-0.2 -2,-0.2 0.878 108.7 44.3 -56.2 -34.5 -7.4 -37.6 47.3 438 439 A L H << S+ 0 0 5 -4,-1.6 -312,-0.3 -3,-0.5 -1,-0.2 0.646 116.1 47.8 -87.0 -12.6 -7.0 -40.6 49.6 439 440 A A H << S+ 0 0 60 -4,-1.0 -2,-0.2 -3,-0.7 -1,-0.2 0.808 88.5 96.9 -94.2 -37.1 -8.8 -43.0 47.3 440 441 A T < - 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