==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=12-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 27-MAR-04 1SV2 . COMPND 2 MOLECULE: PEPTIDE DEFORMYLASE; . SOURCE 2 ORGANISM_SCIENTIFIC: LEPTOSPIRA INTERROGANS; . AUTHOR Z.ZHOU,X.SONG,Y.LI,W.GONG . 343 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16826.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 218 63.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 4 1.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 75 21.9 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 . 2 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.6 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 . 20 5.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 48 14.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 57 16.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 1.7 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 0 2 0 0 0 0 0 1 1 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 0 1 5 1 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 ANTIPARALLEL BRIDGES PER LADDER . 1 2 0 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 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 A S 0 0 84 0, 0.0 39,-0.5 0, 0.0 38,-0.2 0.000 360.0 360.0 360.0 161.6 70.2 21.4 28.1 2 2 A V - 0 0 72 37,-0.2 2,-0.3 38,-0.1 35,-0.1 -0.482 360.0-163.0 -71.6 140.6 70.3 20.2 31.7 3 3 A R - 0 0 94 33,-0.3 2,-0.5 -2,-0.2 -1,-0.0 -0.862 26.5 -93.8-125.1 160.2 69.8 16.5 32.2 4 4 A K - 0 0 156 -2,-0.3 2,-0.6 50,-0.1 36,-0.0 -0.597 36.4-142.8 -75.3 121.6 68.9 14.2 35.1 5 5 A I - 0 0 34 -2,-0.5 49,-0.2 97,-0.1 48,-0.1 -0.763 17.2-127.1 -88.8 121.6 72.0 12.8 36.7 6 6 A L - 0 0 18 47,-3.0 2,-0.2 -2,-0.6 49,-0.1 -0.382 23.7-136.4 -66.3 142.5 71.6 9.2 37.8 7 7 A R > - 0 0 159 1,-0.1 3,-1.6 -2,-0.1 97,-0.2 -0.630 32.3 -78.2-101.3 160.3 72.5 8.4 41.5 8 8 A M T 3 S+ 0 0 84 95,-3.0 -1,-0.1 1,-0.2 96,-0.0 -0.279 115.5 50.3 -55.8 132.7 74.4 5.6 43.0 9 9 A G T 3 S+ 0 0 73 1,-0.5 -1,-0.2 -3,-0.1 5,-0.0 0.095 79.1 116.4 120.4 -18.4 72.3 2.5 43.2 10 10 A D X - 0 0 52 -3,-1.6 3,-0.8 1,-0.1 -1,-0.5 -0.724 66.7-137.7 -83.4 124.4 71.2 2.7 39.6 11 11 A P G > S+ 0 0 89 0, 0.0 3,-1.6 0, 0.0 4,-0.3 0.724 95.8 70.8 -55.0 -24.3 72.5 -0.3 37.7 12 12 A I G > S+ 0 0 46 1,-0.3 3,-3.2 2,-0.2 41,-0.1 0.967 87.8 63.5 -58.1 -51.0 73.5 1.7 34.7 13 13 A L G < S+ 0 0 1 -3,-0.8 -1,-0.3 1,-0.3 136,-0.1 0.520 103.8 51.0 -51.9 -4.7 76.4 3.3 36.6 14 14 A R G < S+ 0 0 98 -3,-1.6 -1,-0.3 -4,-0.2 -2,-0.2 0.438 91.5 92.0-114.6 -1.0 77.9 -0.2 36.9 15 15 A K S < S- 0 0 106 -3,-3.2 2,-0.4 -4,-0.3 135,-0.3 -0.466 81.3-101.3 -90.7 164.7 77.8 -1.3 33.3 16 16 A I - 0 0 124 133,-0.2 2,-0.3 -2,-0.1 133,-0.2 -0.724 30.1-140.3 -88.7 133.5 80.5 -0.9 30.7 17 17 A S - 0 0 0 131,-1.8 41,-0.3 -2,-0.4 40,-0.1 -0.668 19.1-131.9 -90.0 145.2 80.2 2.0 28.2 18 18 A E B -a 58 0A 122 39,-2.7 41,-2.3 -2,-0.3 66,-0.1 -0.682 27.0 -84.5-102.8 157.3 81.2 1.3 24.6 19 19 A P - 0 0 71 0, 0.0 2,-0.4 0, 0.0 -1,-0.1 -0.014 35.7-122.6 -51.9 150.8 83.5 3.3 22.2 20 20 A V - 0 0 6 39,-0.3 2,-0.2 38,-0.1 63,-0.0 -0.807 28.8-128.7 -96.4 138.6 82.2 6.2 20.0 21 21 A T > - 0 0 70 -2,-0.4 4,-1.2 1,-0.1 -1,-0.0 -0.564 16.3-117.2 -90.4 156.0 82.7 5.7 16.3 22 22 A E T 4 S+ 0 0 62 1,-0.2 3,-0.2 2,-0.2 -1,-0.1 0.841 118.3 49.7 -55.5 -36.4 84.4 8.3 14.0 23 23 A D T >> S+ 0 0 123 1,-0.2 3,-2.7 2,-0.1 4,-0.7 0.972 101.6 62.2 -64.0 -57.8 81.0 8.6 12.1 24 24 A E T 34 S+ 0 0 64 1,-0.3 3,-0.4 2,-0.2 6,-0.3 0.729 89.9 68.7 -39.6 -35.8 79.1 9.1 15.3 25 25 A I T 3< S+ 0 0 16 -4,-1.2 -1,-0.3 -3,-0.2 -2,-0.1 0.461 99.5 50.4 -71.4 1.1 81.0 12.3 16.1 26 26 A Q T <4 S+ 0 0 125 -3,-2.7 -1,-0.2 4,-0.1 -2,-0.2 0.710 82.0 112.8-104.6 -31.3 79.3 14.0 13.1 27 27 A T S X S- 0 0 33 -4,-0.7 4,-1.5 -3,-0.4 5,-0.2 0.044 73.8-127.3 -39.5 145.2 75.7 13.1 14.0 28 28 A K H > S+ 0 0 163 2,-0.2 4,-1.7 1,-0.2 5,-0.2 0.946 110.0 56.5 -63.4 -44.2 73.5 16.0 15.0 29 29 A E H >> S+ 0 0 138 2,-0.2 4,-2.6 1,-0.2 3,-1.0 0.945 101.3 54.5 -48.0 -63.2 72.6 14.1 18.1 30 30 A F H >> S+ 0 0 14 -6,-0.3 4,-2.6 1,-0.3 3,-0.6 0.900 108.3 48.2 -37.6 -63.6 76.2 13.7 19.3 31 31 A K H 3X S+ 0 0 62 -4,-1.5 4,-1.2 1,-0.3 -1,-0.3 0.832 113.2 50.1 -50.5 -35.4 76.9 17.4 19.1 32 32 A K H S+ 0 0 2 -4,-3.7 5,-2.6 -5,-0.2 -1,-0.2 0.894 113.1 47.1 -54.8 -42.5 77.9 19.6 34.3 42 42 A R H ><5S+ 0 0 140 -4,-2.3 3,-2.0 -5,-0.2 -1,-0.2 0.931 107.7 53.3 -66.9 -47.4 77.8 23.4 34.7 43 43 A H H 3<5S+ 0 0 146 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.833 111.1 49.1 -57.1 -33.1 74.4 23.6 36.3 44 44 A A T 3<5S- 0 0 26 -4,-1.9 -1,-0.3 -5,-0.2 -2,-0.2 0.452 109.3-125.3 -86.0 -2.0 75.7 21.1 38.9 45 45 A E T < 5 + 0 0 79 -3,-2.0 25,-0.5 1,-0.2 -3,-0.2 0.833 57.8 160.3 60.6 29.9 78.8 23.1 39.5 46 46 A G < - 0 0 6 -5,-2.6 -1,-0.2 -6,-0.2 3,-0.1 -0.482 47.4-142.8 -86.8 156.0 80.7 19.9 38.6 47 47 A V S S- 0 0 10 1,-0.2 17,-2.2 -2,-0.2 2,-0.3 0.745 81.7 -4.7 -86.9 -26.7 84.3 19.4 37.5 48 48 A G E -B 63 0B 5 15,-0.2 2,-0.3 -7,-0.1 15,-0.3 -0.972 59.2-157.3-159.0 166.3 83.6 16.6 35.1 49 49 A L E -B 62 0B 0 13,-2.5 13,-2.2 -2,-0.3 2,-0.4 -0.959 7.4-149.0-155.6 135.0 80.9 14.4 33.8 50 50 A A E > -B 61 0B 0 -2,-0.3 3,-2.7 11,-0.2 4,-0.4 -0.862 28.3-118.4-107.6 140.5 80.8 11.0 32.2 51 51 A A G > >S+ 0 0 0 9,-3.1 3,-2.2 -2,-0.4 5,-1.2 0.830 111.1 59.2 -41.2 -48.0 78.0 10.0 29.7 52 52 A P G > 5S+ 0 0 1 0, 0.0 3,-1.5 0, 0.0 -1,-0.3 0.705 88.9 73.8 -61.5 -15.9 76.8 7.1 31.8 53 53 A Q G < 5S+ 0 0 1 -3,-2.7 -47,-3.0 1,-0.3 -2,-0.2 0.732 105.7 37.5 -68.9 -18.4 76.0 9.5 34.7 54 54 A I G < 5S- 0 0 16 -3,-2.2 -1,-0.3 -4,-0.4 -50,-0.1 0.088 133.9 -89.6-116.2 19.5 73.1 10.6 32.5 55 55 A G T < 5S+ 0 0 38 -3,-1.5 2,-0.5 1,-0.2 -2,-0.1 0.822 87.0 122.0 82.2 33.6 72.3 7.2 31.3 56 56 A I < - 0 0 43 -5,-1.2 2,-2.9 -6,-0.1 4,-0.3 -0.900 49.7-152.3-132.4 105.5 74.3 6.8 28.1 57 57 A L + 0 0 52 -2,-0.5 -39,-2.7 -6,-0.1 2,-0.4 -0.257 56.3 122.3 -72.9 57.2 76.8 3.9 28.0 58 58 A K B S-a 18 0A 33 -2,-2.9 2,-3.1 -41,-0.3 -7,-0.3 -0.953 75.2-112.7-120.0 138.2 79.1 5.7 25.6 59 59 A Q + 0 0 36 -41,-2.3 25,-2.0 -2,-0.4 2,-0.5 -0.320 69.1 135.3 -70.1 67.6 82.7 6.4 26.3 60 60 A I E + C 0 83B 2 -2,-3.1 -9,-3.1 -4,-0.3 2,-0.4 -0.971 27.8 177.5-123.4 120.6 82.2 10.2 26.5 61 61 A V E -BC 50 82B 1 21,-3.1 21,-3.0 -2,-0.5 2,-0.4 -0.926 6.9-169.2-121.7 146.6 83.7 12.3 29.2 62 62 A V E +BC 49 81B 0 -13,-2.2 -13,-2.5 -2,-0.4 2,-0.3 -1.000 6.9 178.9-136.1 133.5 83.6 16.1 29.7 63 63 A V E +BC 48 80B 0 17,-1.9 17,-1.5 -2,-0.4 -15,-0.2 -0.858 12.6 146.7-130.7 166.6 85.6 18.3 32.1 64 64 A G + 0 0 7 -17,-2.2 15,-0.1 -2,-0.3 12,-0.0 -0.327 9.7 174.9 161.5 113.3 85.8 22.0 32.9 65 65 A S + 0 0 20 12,-3.4 11,-0.1 -2,-0.1 -17,-0.0 0.846 8.4 161.7 -94.2 -95.3 86.5 23.8 36.1 66 66 A E S S- 0 0 128 2,-0.1 10,-0.0 1,-0.1 134,-0.0 0.980 86.2 -20.4 61.8 93.5 86.9 27.6 36.5 67 67 A D S S- 0 0 156 1,-0.2 2,-0.3 7,-0.1 -1,-0.1 0.890 85.0-162.2 48.1 50.8 86.5 28.8 40.1 68 68 A N - 0 0 7 6,-0.2 -1,-0.2 3,-0.2 -2,-0.1 -0.455 13.6-160.6 -68.0 125.9 84.6 25.6 41.1 69 69 A E S S+ 0 0 66 -2,-0.3 -1,-0.1 1,-0.2 4,-0.1 0.931 84.3 59.2 -70.4 -49.3 82.6 26.1 44.3 70 70 A R S S+ 0 0 57 -25,-0.5 -1,-0.2 1,-0.3 3,-0.1 0.874 121.1 25.8 -49.9 -46.5 82.1 22.4 45.2 71 71 A Y S S+ 0 0 15 1,-0.2 -1,-0.3 3,-0.1 3,-0.2 -0.500 82.2 177.5-119.5 62.6 85.9 21.7 45.3 72 72 A P S S+ 0 0 100 0, 0.0 -1,-0.2 0, 0.0 -2,-0.1 0.721 71.6 49.6 -31.3 -54.0 87.0 25.3 46.2 73 73 A G S S+ 0 0 73 -3,-0.1 -6,-0.1 -4,-0.1 -2,-0.1 0.981 83.4 106.1 -56.8 -63.9 90.7 24.6 46.5 74 74 A T S S- 0 0 21 -3,-0.2 -6,-0.2 1,-0.1 -7,-0.1 0.341 73.8-113.2 -21.3 132.9 91.3 22.7 43.2 75 75 A P - 0 0 85 0, 0.0 -1,-0.1 0, 0.0 -7,-0.1 -0.249 46.3 -77.4 -70.3 162.4 93.1 24.5 40.4 76 76 A D - 0 0 76 -11,-0.1 -2,-0.0 1,-0.1 0, 0.0 -0.262 39.1-154.4 -64.6 148.6 91.3 25.4 37.2 77 77 A V - 0 0 5 -3,-0.1 -12,-3.4 59,-0.0 3,-0.1 -0.951 18.7-126.7-129.0 109.7 90.6 22.7 34.5 78 78 A P - 0 0 49 0, 0.0 -15,-0.1 0, 0.0 126,-0.0 -0.300 34.6 -99.7 -58.7 129.4 90.2 23.9 30.9 79 79 A E + 0 0 76 -17,-0.1 2,-0.3 -2,-0.1 -15,-0.2 -0.183 59.2 152.8 -50.5 134.2 87.0 22.7 29.2 80 80 A R E -C 63 0B 23 -17,-1.5 -17,-1.9 -3,-0.1 2,-0.5 -0.984 40.5-126.0-162.3 155.2 87.7 19.7 27.0 81 81 A I E -C 62 0B 15 -2,-0.3 2,-0.5 -19,-0.2 -19,-0.2 -0.926 20.2-163.6-109.8 133.7 86.0 16.6 25.6 82 82 A I E -C 61 0B 1 -21,-3.0 -21,-3.1 -2,-0.5 2,-0.4 -0.973 9.5-176.6-120.0 123.1 87.5 13.2 26.1 83 83 A L E -CD 60 122B 0 39,-1.9 39,-1.6 -2,-0.5 -23,-0.2 -0.915 63.7 -5.6-120.3 145.7 86.4 10.3 23.9 84 84 A N E S- 0 0 37 -25,-2.0 -1,-0.2 -2,-0.4 -24,-0.1 0.857 85.5-168.9 40.8 51.8 87.3 6.6 24.0 85 85 A P E - 0 0 13 0, 0.0 2,-0.3 0, 0.0 36,-0.2 -0.211 17.7-169.3 -68.3 158.8 90.0 7.3 26.7 86 86 A V E - D 0 120B 78 34,-1.0 34,-0.8 2,-0.0 2,-0.3 -0.786 9.3-165.5-153.0 102.6 92.6 4.7 27.8 87 87 A I E - D 0 119B 46 -2,-0.3 32,-0.2 32,-0.2 30,-0.0 -0.660 8.6-175.9 -97.8 148.0 94.6 5.5 30.9 88 88 A T E - D 0 118B 58 30,-1.4 30,-2.9 -2,-0.3 -2,-0.0 -0.969 26.4-123.0-143.1 122.5 97.9 3.8 32.1 89 89 A P E - D 0 117B 76 0, 0.0 28,-0.2 0, 0.0 3,-0.1 -0.311 18.6-172.5 -63.8 145.3 99.6 4.6 35.4 90 90 A L + 0 0 81 26,-2.2 2,-0.3 3,-0.1 27,-0.2 0.386 68.0 23.7-117.7 -2.3 103.2 5.7 35.1 91 91 A T - 0 0 34 25,-0.5 25,-0.2 2,-0.1 -1,-0.1 -0.951 58.6-134.9-154.4 170.9 104.0 5.6 38.8 92 92 A K S S+ 0 0 190 -2,-0.3 2,-0.1 22,-0.1 -1,-0.1 0.447 73.8 113.7-105.9 -9.2 103.0 4.2 42.2 93 93 A D - 0 0 107 23,-0.1 22,-1.9 21,-0.1 2,-0.4 -0.414 53.7-164.4 -59.8 136.0 103.3 7.7 43.7 94 94 A T E -F 114 0C 63 20,-0.3 2,-0.5 21,-0.1 18,-0.1 -0.991 17.5-147.6-134.8 137.5 99.8 8.7 44.7 95 95 A S E -F 113 0C 49 18,-1.8 18,-1.3 -2,-0.4 2,-0.1 -0.867 22.7-134.7-101.1 130.1 98.2 12.0 45.6 96 96 A G + 0 0 31 -2,-0.5 2,-0.3 16,-0.2 16,-0.2 -0.426 30.6 165.8 -80.5 158.9 95.4 11.8 48.2 97 97 A F - 0 0 55 14,-0.4 14,-2.9 -2,-0.1 2,-1.8 -0.896 43.4-118.0-172.6 141.5 92.2 13.7 47.8 98 98 A W E -G 110 0D 95 -2,-0.3 12,-0.3 12,-0.3 -2,-0.0 -0.566 45.8-163.5 -85.3 79.0 88.6 13.9 49.2 99 99 A E E -G 109 0D 6 -2,-1.8 10,-2.2 10,-1.3 2,-0.3 -0.122 11.6-173.9 -62.4 156.4 86.7 13.0 46.0 100 100 A G E - 0 0 7 8,-0.2 2,-0.3 6,-0.0 8,-0.1 -0.917 7.5-153.8-142.7 165.0 83.1 13.6 45.5 101 101 A C E > -G 104 0D 2 3,-0.6 3,-1.2 6,-0.4 6,-0.3 -0.997 22.9-136.0-145.8 143.6 80.7 12.7 42.7 102 102 A L T 3 S+ 0 0 31 -2,-0.3 -1,-0.1 1,-0.3 -97,-0.1 0.769 111.5 56.5 -69.1 -23.1 77.4 14.2 41.4 103 103 A S T 3 S+ 0 0 0 1,-0.3 -95,-3.0 -96,-0.1 -1,-0.3 0.505 107.8 50.7 -83.7 -4.9 76.0 10.7 41.3 104 104 A V E X S-G 101 0D 5 -3,-1.2 3,-0.9 -97,-0.2 -3,-0.6 -0.593 94.3-153.2-131.8 67.7 76.9 10.4 45.0 105 105 A P E 3 - 0 0 70 0, 0.0 -3,-0.1 0, 0.0 3,-0.1 -0.038 62.1 -0.0 -48.0 134.9 75.3 13.6 46.4 106 106 A G E 3 S+ 0 0 37 1,-0.2 60,-2.3 59,-0.1 2,-0.3 0.681 102.4 106.3 59.5 27.6 76.5 15.4 49.5 107 107 A M E < - H 0 165D 31 -3,-0.9 -6,-0.4 58,-0.3 2,-0.3 -0.957 46.4-160.4-137.0 155.4 79.4 13.1 50.4 108 108 A R E - H 0 164D 42 56,-2.4 56,-1.8 -2,-0.3 2,-0.4 -0.982 6.1-174.9-133.7 145.8 83.2 13.0 50.4 109 109 A G E -GH 99 163D 0 -10,-2.2 -10,-1.3 -2,-0.3 2,-0.4 -0.982 28.2-120.7-145.0 130.5 85.7 10.2 50.5 110 110 A Y E +G 98 0D 52 52,-1.5 48,-2.3 -2,-0.4 49,-0.4 -0.530 38.5 177.1 -70.4 123.8 89.5 10.3 50.7 111 111 A V - 0 0 1 -14,-2.9 2,-0.6 -2,-0.4 -14,-0.4 -0.990 21.0-151.1-134.2 129.4 90.9 8.4 47.7 112 112 A E + 0 0 79 44,-0.4 -16,-0.2 -2,-0.4 -18,-0.0 -0.877 23.7 167.8-105.3 118.6 94.5 7.9 46.7 113 113 A R E -F 95 0C 7 -18,-1.3 -18,-1.8 -2,-0.6 26,-0.1 -0.842 47.1 -81.3-121.8 159.9 95.2 7.5 43.0 114 114 A P E -F 94 0C 29 0, 0.0 -20,-0.3 0, 0.0 3,-0.1 -0.385 35.3-143.8 -61.3 136.4 98.5 7.6 41.0 115 115 A N S S+ 0 0 35 -22,-1.9 20,-1.5 1,-0.2 2,-0.3 0.294 82.3 49.4 -88.6 9.5 99.6 11.2 40.4 116 116 A Q E + E 0 134B 80 -23,-0.3 -26,-2.2 18,-0.2 -25,-0.5 -0.794 67.9 164.2-151.9 105.6 101.1 10.6 37.0 117 117 A I E -DE 89 133B 0 16,-2.3 16,-2.1 -2,-0.3 2,-0.6 -0.765 35.1-129.4-121.4 164.0 99.3 8.8 34.2 118 118 A R E -DE 88 132B 86 -30,-2.9 -30,-1.4 -2,-0.3 2,-0.3 -0.945 32.1-173.0-112.6 110.6 99.5 8.3 30.5 119 119 A M E -DE 87 131B 0 12,-1.3 12,-1.6 -2,-0.6 2,-0.4 -0.812 10.7-167.2-107.6 147.3 96.1 9.0 28.8 120 120 A Q E +DE 86 130B 55 -34,-0.8 -34,-1.0 -2,-0.3 2,-0.3 -0.994 24.8 143.1-132.3 123.0 95.1 8.4 25.2 121 121 A W E - E 0 129B 9 8,-0.7 8,-2.8 -2,-0.4 2,-0.3 -0.837 38.7-124.5-147.4-174.1 91.9 9.8 23.8 122 122 A M E -DE 83 128B 16 -39,-1.6 -39,-1.9 -2,-0.3 6,-0.2 -0.963 24.7-141.4-136.0 147.6 90.1 11.4 20.8 123 123 A D > - 0 0 2 4,-1.2 3,-1.5 -2,-0.3 -41,-0.1 -0.424 36.4 -84.1-106.1-175.7 88.2 14.7 20.7 124 124 A E T 3 S+ 0 0 39 1,-0.3 -93,-0.1 2,-0.1 -42,-0.0 0.802 129.3 49.7 -56.5 -34.3 85.0 16.0 19.0 125 125 A K T 3 S- 0 0 99 2,-0.1 -1,-0.3 -99,-0.0 -100,-0.0 0.628 123.8-106.9 -80.5 -11.2 86.9 16.8 15.8 126 126 A G < + 0 0 25 -3,-1.5 2,-0.4 1,-0.3 -2,-0.1 0.731 63.7 155.9 94.6 26.5 88.3 13.2 15.9 127 127 A N - 0 0 26 1,-0.0 -4,-1.2 47,-0.0 -1,-0.3 -0.720 36.6-132.4 -92.1 134.8 91.9 14.0 16.9 128 128 A Q E -E 122 0B 128 -2,-0.4 2,-0.3 -6,-0.2 -6,-0.2 -0.588 24.8-173.6 -83.9 142.6 94.0 11.3 18.6 129 129 A F E +E 121 0B 12 -8,-2.8 -8,-0.7 -2,-0.2 2,-0.1 -0.940 19.1 178.0-134.7 156.5 96.0 12.2 21.7 130 130 A D E +E 120 0B 69 -2,-0.3 -10,-0.2 -10,-0.2 2,-0.2 -0.584 28.1 148.0-159.2 84.3 98.6 10.4 23.8 131 131 A E E -E 119 0B 39 -12,-1.6 -12,-1.3 -2,-0.1 2,-0.6 -0.622 47.9-116.9-115.5 175.4 99.9 12.6 26.6 132 132 A T E -E 118 0B 50 -14,-0.2 2,-0.3 -2,-0.2 -14,-0.3 -0.975 35.5-168.2-116.7 115.4 101.2 12.1 30.1 133 133 A I E +E 117 0B 9 -16,-2.1 -16,-2.3 -2,-0.6 2,-0.3 -0.756 10.4 168.6-104.1 150.6 99.0 13.9 32.5 134 134 A D E > +E 116 0B 87 -2,-0.3 3,-0.6 -18,-0.2 4,-0.4 -0.933 37.4 34.1-150.8 174.2 99.7 14.6 36.2 135 135 A G T >> S- 0 0 34 -20,-1.5 4,-1.7 -2,-0.3 3,-0.6 -0.321 117.5 -21.4 75.5-161.3 98.4 16.6 39.1 136 136 A Y H 3> S+ 0 0 36 1,-0.3 4,-2.8 2,-0.2 -1,-0.2 0.867 135.9 61.3 -51.3 -41.6 94.8 17.4 39.7 137 137 A K H <> S+ 0 0 51 -3,-0.6 4,-3.0 1,-0.2 5,-0.3 0.933 103.9 49.2 -52.1 -48.5 94.1 16.8 36.0 138 138 A A H <> S+ 0 0 0 -3,-0.6 4,-2.5 -4,-0.4 -1,-0.2 0.932 110.1 51.3 -55.7 -48.5 95.2 13.2 36.4 139 139 A I H X S+ 0 0 10 -4,-1.7 4,-2.1 1,-0.2 -1,-0.2 0.896 113.5 45.4 -55.4 -44.7 93.0 12.8 39.5 140 140 A V H X S+ 0 0 6 -4,-2.8 4,-2.6 2,-0.2 -2,-0.2 0.913 111.5 49.3 -68.2 -46.5 90.0 14.1 37.5 141 141 A Y H X S+ 0 0 1 -4,-3.0 4,-2.3 -5,-0.2 -2,-0.2 0.894 112.8 48.7 -62.0 -40.3 90.5 12.1 34.4 142 142 A Q H X S+ 0 0 19 -4,-2.5 4,-2.1 -5,-0.3 -2,-0.2 0.962 110.7 49.0 -64.9 -51.9 90.9 8.9 36.4 143 143 A H H X S+ 0 0 14 -4,-2.1 4,-0.9 1,-0.2 3,-0.3 0.949 118.1 42.0 -50.2 -53.2 87.8 9.5 38.5 144 144 A E H X S+ 0 0 12 -4,-2.6 4,-0.6 1,-0.2 -1,-0.2 0.785 111.0 53.3 -69.0 -29.6 85.8 10.2 35.3 145 145 A C H >< S+ 0 0 15 -4,-2.3 3,-0.6 -5,-0.2 -1,-0.2 0.805 99.3 65.3 -76.4 -24.8 87.3 7.5 33.2 146 146 A D H ><>S+ 0 0 14 -4,-2.1 3,-3.0 -3,-0.3 5,-1.9 0.890 90.7 63.6 -60.0 -41.6 86.3 5.0 35.9 147 147 A H H ><5S+ 0 0 2 -4,-0.9 3,-2.0 1,-0.3 -1,-0.2 0.863 92.9 65.4 -50.6 -36.8 82.6 5.7 35.3 148 148 A L T <<5S+ 0 0 8 -3,-0.6 -131,-1.8 -4,-0.6 -1,-0.3 0.566 105.9 41.6 -66.1 -8.1 83.3 4.3 31.8 149 149 A Q T < 5S- 0 0 127 -3,-3.0 -1,-0.3 -133,-0.2 -2,-0.2 0.100 125.1 -97.6-123.4 18.8 83.9 0.9 33.4 150 150 A G T < 5S+ 0 0 7 -3,-2.0 2,-0.5 -135,-0.3 -3,-0.2 0.781 78.9 138.8 71.2 30.5 81.1 1.0 35.9 151 151 A I < - 0 0 42 -5,-1.9 2,-0.3 -8,-0.1 -1,-0.2 -0.922 33.2-167.1-115.2 128.2 83.3 2.2 38.8 152 152 A L > - 0 0 1 -2,-0.5 3,-2.1 -6,-0.1 4,-0.3 -0.746 35.3-112.6-105.1 156.6 82.4 4.8 41.4 153 153 A Y G > S+ 0 0 2 1,-0.3 3,-2.1 -2,-0.3 4,-0.3 0.762 112.3 71.2 -61.3 -24.4 84.9 6.4 43.8 154 154 A V G > S+ 0 0 29 1,-0.3 3,-0.5 2,-0.2 -1,-0.3 0.713 90.9 63.5 -64.0 -15.9 83.3 4.7 46.8 155 155 A D G < S+ 0 0 83 -3,-2.1 -1,-0.3 1,-0.2 -2,-0.2 0.674 106.7 42.7 -78.9 -18.5 84.8 1.5 45.3 156 156 A R G < S+ 0 0 105 -3,-2.1 -44,-0.4 -4,-0.3 -1,-0.2 0.236 76.5 147.5-113.5 14.4 88.2 3.0 45.9 157 157 A L < - 0 0 29 -3,-0.5 -46,-0.2 -4,-0.3 3,-0.2 -0.200 46.4-141.7 -50.0 133.1 87.9 4.5 49.3 158 158 A K S S- 0 0 120 -48,-2.3 2,-0.3 1,-0.3 -1,-0.2 0.938 86.7 -9.7 -62.7 -42.5 91.2 4.4 51.2 159 159 A D > - 0 0 54 -49,-0.4 3,-1.0 3,-0.3 -1,-0.3 -0.972 61.4-131.1-154.1 141.5 89.2 3.6 54.3 160 160 A T T 3 S+ 0 0 106 -2,-0.3 3,-0.4 1,-0.2 -2,-0.0 0.613 105.9 70.4 -72.0 -10.6 85.5 3.7 55.0 161 161 A K T 3 S+ 0 0 169 1,-0.3 2,-0.9 3,-0.0 -1,-0.2 0.795 94.2 56.3 -73.1 -29.2 86.3 5.6 58.2 162 162 A L S < S+ 0 0 65 -3,-1.0 -52,-1.5 -52,-0.1 2,-0.3 -0.625 92.3 89.3-102.5 69.0 87.2 8.6 55.9 163 163 A F E +H 109 0D 59 -2,-0.9 2,-0.3 -3,-0.4 -54,-0.2 -0.918 49.0 111.4-163.0 132.9 83.9 8.7 54.1 164 164 A G E -H 108 0D 12 -56,-1.8 -56,-2.4 -2,-0.3 2,-0.2 -0.986 61.2 -46.3 179.2-171.8 80.8 10.7 55.1 165 165 A F E > -H 107 0D 124 -2,-0.3 4,-2.2 -58,-0.2 -58,-0.3 -0.576 44.2-128.4 -83.3 145.2 78.4 13.6 54.4 166 166 A N H > S+ 0 0 53 -60,-2.3 4,-1.0 -2,-0.2 5,-0.4 0.965 104.1 59.9 -53.9 -60.2 79.8 17.0 53.6 167 167 A E H >> S+ 0 0 74 -61,-0.3 3,-0.6 1,-0.2 4,-0.5 0.853 114.1 34.7 -33.9 -60.7 77.8 18.8 56.2 168 168 A T H 34 S+ 0 0 91 1,-0.2 -1,-0.2 2,-0.1 -2,-0.2 0.837 95.9 81.4 -71.5 -35.9 79.3 16.9 59.1 169 169 A L H 3< S- 0 0 80 -4,-2.2 -1,-0.2 -3,-0.2 -2,-0.2 0.833 129.1 -12.5 -38.5 -42.0 82.8 16.4 57.7 170 170 A D H << 0 0 94 -4,-1.0 -2,-0.1 -3,-0.6 -1,-0.1 0.611 360.0 360.0-121.8 -65.0 83.5 19.9 59.0 171 171 A S < 0 0 134 -4,-0.5 -3,-0.1 -5,-0.4 -2,-0.1 -0.071 360.0 360.0 79.2 360.0 80.1 21.6 59.9 172 !* 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 0.0 173 1 B S 0 0 37 0, 0.0 39,-0.3 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0-168.6 89.8 22.2 20.7 174 2 B V - 0 0 27 37,-0.2 2,-0.3 38,-0.1 35,-0.1 -0.729 360.0-155.6 -94.7 141.7 92.2 22.0 17.8 175 3 B R - 0 0 102 33,-0.3 2,-0.3 -2,-0.3 0, 0.0 -0.812 25.3 -95.3-117.2 155.6 92.6 24.9 15.3 176 4 B K - 0 0 84 -2,-0.3 2,-0.6 50,-0.1 36,-0.0 -0.482 34.8-136.7 -69.5 127.6 93.7 25.2 11.7 177 5 B I - 0 0 37 -2,-0.3 49,-0.2 97,-0.1 48,-0.1 -0.779 20.2-126.8 -89.8 120.0 97.4 26.0 11.3 178 6 B L - 0 0 35 47,-3.2 2,-0.2 -2,-0.6 49,-0.1 -0.355 24.3-137.1 -64.5 142.4 98.0 28.7 8.6 179 7 B R > - 0 0 169 1,-0.1 3,-1.5 97,-0.1 97,-0.2 -0.631 31.9 -77.7-101.7 161.2 100.5 27.8 5.9 180 8 B M T 3 S+ 0 0 84 95,-2.7 -1,-0.1 1,-0.2 96,-0.0 -0.304 115.4 50.8 -57.3 132.1 103.2 29.8 4.3 181 9 B G T 3 S+ 0 0 74 1,-0.5 -1,-0.2 -3,-0.1 5,-0.0 0.112 79.0 115.7 121.9 -16.8 101.8 32.2 1.8 182 10 B D X - 0 0 53 -3,-1.5 3,-0.9 1,-0.1 -1,-0.5 -0.746 67.0-137.5 -85.1 125.1 99.2 33.6 4.1 183 11 B P G > S+ 0 0 90 0, 0.0 3,-1.5 0, 0.0 4,-0.3 0.716 95.7 71.8 -56.3 -22.5 99.8 37.2 4.8 184 12 B I G > S+ 0 0 45 1,-0.3 3,-2.8 2,-0.2 41,-0.1 0.953 87.6 62.3 -59.4 -48.4 99.1 36.9 8.5 185 13 B L G < S+ 0 0 1 -3,-0.9 -1,-0.3 1,-0.3 136,-0.1 0.543 103.9 51.7 -54.6 -7.3 102.4 35.0 9.1 186 14 B R G < S+ 0 0 102 -3,-1.5 -1,-0.3 -4,-0.2 -2,-0.2 0.410 91.4 92.6-111.4 -0.1 104.2 38.1 7.9 187 15 B K S < S- 0 0 104 -3,-2.8 2,-0.4 -4,-0.3 135,-0.4 -0.486 81.1-102.4 -92.0 162.9 102.5 40.7 10.2 188 16 B I - 0 0 124 133,-0.2 2,-0.3 -2,-0.2 133,-0.2 -0.731 29.8-141.1 -88.9 131.9 103.7 41.9 13.6 189 17 B S - 0 0 0 131,-2.0 41,-0.3 -2,-0.4 40,-0.1 -0.670 18.9-132.7 -89.4 144.0 102.0 40.5 16.6 190 18 B E B -i 230 0E 117 39,-2.2 41,-2.6 -2,-0.3 66,-0.1 -0.630 27.1 -83.8-100.5 159.6 101.3 42.8 19.5 191 19 B P - 0 0 71 0, 0.0 2,-0.4 0, 0.0 -1,-0.1 -0.051 37.3-118.3 -55.2 151.5 101.9 42.5 23.3 192 20 B V - 0 0 7 39,-0.2 2,-0.3 38,-0.1 63,-0.0 -0.795 25.1-135.4 -95.1 135.5 99.5 40.8 25.7 193 21 B T >> - 0 0 71 -2,-0.4 3,-1.6 1,-0.1 4,-1.0 -0.683 16.8-122.8 -90.0 146.3 98.1 43.0 28.4 194 22 B E T 34 S+ 0 0 135 -2,-0.3 4,-0.5 1,-0.3 3,-0.1 0.791 113.3 60.7 -58.0 -29.8 98.0 41.6 32.0 195 23 B D T 3> S+ 0 0 64 1,-0.2 4,-0.8 2,-0.2 3,-0.5 0.768 99.5 57.8 -68.7 -25.2 94.3 42.2 32.0 196 24 B E T <4 S+ 0 0 51 -3,-1.6 3,-0.4 1,-0.2 6,-0.4 0.859 92.3 65.8 -72.0 -38.7 94.0 39.8 29.0 197 25 B I T < S+ 0 0 25 -4,-1.0 -1,-0.2 1,-0.3 -2,-0.2 0.728 98.9 55.7 -56.0 -23.4 95.6 36.9 30.9 198 26 B Q T 4 S+ 0 0 163 -4,-0.5 -1,-0.3 -3,-0.5 -2,-0.2 0.904 85.6 107.9 -75.1 -43.4 92.5 37.0 33.1 199 27 B T X - 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