==== 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 HYDROLASE 10-SEP-04 1XEN . COMPND 2 MOLECULE: PEPTIDE DEFORMYLASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR R.JAIN,B.HAO,R.-P.LIU,M.K.CHAN . 165 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9197.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 111 67.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 2 1.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 30 18.2 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 . 1 0.6 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 . 12 7.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 19 11.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 41 24.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 1.8 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 0 0 0 0 0 0 0 0 0 0 1 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 0 0 PARALLEL BRIDGES PER LADDER . 1 1 1 1 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 ANTIPARALLEL BRIDGES PER LADDER . 1 0 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 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 2,-0.5 0, 0.0 36,-0.3 0.000 360.0 360.0 360.0 144.2 6.0 1.6 42.8 2 2 A V - 0 0 73 34,-0.2 2,-0.2 35,-0.1 32,-0.1 -0.783 360.0-148.9 -85.0 125.2 5.7 -1.5 40.6 3 3 A L - 0 0 44 -2,-0.5 2,-0.4 30,-0.5 -1,-0.0 -0.599 19.8 -98.3 -96.4 160.8 5.2 -0.2 37.0 4 4 A Q - 0 0 163 -2,-0.2 2,-0.5 47,-0.2 -1,-0.1 -0.618 33.9-142.7 -79.8 130.1 3.3 -1.8 34.2 5 5 A V - 0 0 15 -2,-0.4 46,-0.2 46,-0.1 2,-0.1 -0.822 17.3-125.4 -94.9 126.1 5.5 -3.8 31.8 6 6 A L - 0 0 8 44,-3.1 2,-0.3 -2,-0.5 4,-0.1 -0.428 23.6-156.0 -69.9 145.0 4.6 -3.6 28.1 7 7 A H - 0 0 58 2,-0.2 86,-0.2 -2,-0.1 6,-0.1 -0.882 30.9 -64.3-119.4 148.3 4.0 -6.9 26.2 8 8 A I S S+ 0 0 7 84,-2.4 2,-0.1 -2,-0.3 3,-0.0 -0.406 109.7 49.8 -67.4 150.8 4.2 -7.6 22.5 9 9 A P S S+ 0 0 73 0, 0.0 2,-0.2 0, 0.0 -2,-0.2 0.639 81.3 119.9 -87.8 147.8 2.8 -6.6 20.3 10 10 A D > - 0 0 39 -2,-0.1 3,-1.8 -4,-0.1 4,-0.2 -0.716 52.8-146.7-168.9 114.5 3.2 -3.0 21.3 11 11 A E G > S+ 0 0 149 1,-0.3 3,-1.9 -2,-0.2 4,-0.1 0.713 93.8 73.3 -61.1 -22.6 4.9 -0.5 19.1 12 12 A R G > S+ 0 0 95 1,-0.3 3,-1.2 2,-0.2 -1,-0.3 0.776 86.7 65.6 -65.7 -21.6 6.3 1.4 22.1 13 13 A L G < S+ 0 0 0 -3,-1.8 -1,-0.3 1,-0.2 -2,-0.2 0.621 97.4 56.6 -71.5 -14.3 8.7 -1.6 22.6 14 14 A R G < S+ 0 0 81 -3,-1.9 -1,-0.2 -4,-0.2 2,-0.2 0.266 81.4 114.2 -98.0 6.5 10.3 -0.6 19.3 15 15 A K < - 0 0 96 -3,-1.2 2,-0.6 34,-0.1 124,-0.5 -0.552 68.1-123.6 -80.8 146.4 11.1 3.0 20.3 16 16 A V - 0 0 105 122,-0.2 122,-0.2 -2,-0.2 121,-0.1 -0.792 28.3-129.5 -92.6 119.8 14.7 4.1 20.5 17 17 A A - 0 0 7 120,-2.7 38,-0.3 -2,-0.6 37,-0.1 -0.326 15.4-129.9 -70.5 146.3 15.5 5.5 24.0 18 18 A K B -a 55 0A 119 36,-2.5 38,-2.2 1,-0.1 56,-0.1 -0.662 33.6 -94.2 -91.8 155.7 17.2 8.9 24.3 19 19 A P - 0 0 66 0, 0.0 2,-0.4 0, 0.0 -1,-0.1 -0.268 41.7-104.4 -65.1 152.4 20.3 9.3 26.5 20 20 A V - 0 0 7 36,-0.3 3,-0.2 1,-0.2 35,-0.0 -0.639 27.4-157.2 -75.4 131.5 19.7 10.5 30.1 21 21 A E S S+ 0 0 168 -2,-0.4 2,-0.3 1,-0.3 -1,-0.2 0.908 72.9 0.1 -77.5 -40.4 20.8 14.1 30.2 22 22 A E - 0 0 138 2,-0.0 2,-1.2 0, 0.0 -1,-0.3 -0.977 65.2-127.1-153.2 133.8 21.4 14.2 34.0 23 23 A V + 0 0 28 -2,-0.3 2,-0.2 -3,-0.2 89,-0.0 -0.687 53.5 150.5 -83.4 98.3 21.1 11.7 36.8 24 24 A N > - 0 0 67 -2,-1.2 4,-2.5 91,-0.0 5,-0.2 -0.489 64.5 -76.1-116.4-170.8 19.0 13.6 39.2 25 25 A A H > S+ 0 0 77 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.898 129.4 53.8 -56.7 -39.9 16.4 12.7 41.9 26 26 A E H > S+ 0 0 90 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.917 108.9 47.4 -64.0 -41.3 13.8 11.9 39.2 27 27 A I H > S+ 0 0 8 2,-0.2 4,-2.5 -5,-0.2 -1,-0.2 0.912 111.3 52.3 -65.3 -41.7 16.1 9.5 37.4 28 28 A Q H X S+ 0 0 49 -4,-2.5 4,-2.6 1,-0.2 -2,-0.2 0.902 107.1 52.3 -62.5 -38.9 17.0 7.8 40.8 29 29 A R H X S+ 0 0 120 -4,-2.4 4,-2.4 -5,-0.2 -1,-0.2 0.894 108.8 50.2 -64.0 -38.2 13.3 7.4 41.5 30 30 A I H X S+ 0 0 6 -4,-1.9 4,-2.8 2,-0.2 -2,-0.2 0.917 109.9 51.0 -63.8 -44.1 12.9 5.7 38.0 31 31 A V H X S+ 0 0 0 -4,-2.5 4,-2.5 1,-0.2 5,-0.2 0.938 111.5 48.3 -57.6 -46.2 15.8 3.4 38.8 32 32 A D H X S+ 0 0 55 -4,-2.6 4,-2.2 1,-0.2 -2,-0.2 0.907 112.0 46.7 -64.1 -43.8 14.2 2.5 42.1 33 33 A D H X S+ 0 0 23 -4,-2.4 4,-2.6 2,-0.2 -30,-0.5 0.863 110.8 55.4 -65.8 -35.5 10.7 1.8 40.6 34 34 A M H X S+ 0 0 0 -4,-2.8 4,-3.2 2,-0.2 -2,-0.2 0.921 108.6 46.2 -65.2 -41.7 12.4 -0.3 37.8 35 35 A F H X S+ 0 0 2 -4,-2.5 4,-2.7 2,-0.2 5,-0.3 0.933 112.0 51.2 -65.1 -42.1 14.1 -2.5 40.4 36 36 A E H X S+ 0 0 95 -4,-2.2 4,-2.3 -5,-0.2 -2,-0.2 0.925 114.5 44.5 -57.9 -42.6 10.8 -2.8 42.3 37 37 A T H X S+ 0 0 0 -4,-2.6 4,-2.6 -36,-0.3 -2,-0.2 0.925 111.5 52.0 -65.2 -49.2 9.1 -3.8 39.0 38 38 A M H <>S+ 0 0 0 -4,-3.2 5,-3.0 1,-0.2 -2,-0.2 0.920 114.3 42.8 -55.5 -49.4 11.9 -6.2 38.0 39 39 A Y H ><5S+ 0 0 57 -4,-2.7 3,-1.4 3,-0.2 -1,-0.2 0.921 113.0 52.3 -64.6 -43.7 11.8 -8.1 41.3 40 40 A A H 3<5S+ 0 0 51 -4,-2.3 -2,-0.2 -5,-0.3 -1,-0.2 0.868 113.5 44.5 -59.4 -38.9 8.0 -8.1 41.4 41 41 A E T 3<5S- 0 0 96 -4,-2.6 -1,-0.3 -5,-0.1 -2,-0.2 0.322 115.3-118.8 -87.9 7.6 7.9 -9.6 37.9 42 42 A E T < 5 + 0 0 180 -3,-1.4 -3,-0.2 1,-0.2 2,-0.1 0.802 63.1 143.4 62.9 34.2 10.6 -12.1 38.8 43 43 A G < - 0 0 10 -5,-3.0 -1,-0.2 -6,-0.2 3,-0.1 -0.433 52.3-145.4-100.0 170.5 13.2 -10.8 36.2 44 44 A I S S+ 0 0 63 1,-0.3 17,-2.6 -2,-0.1 2,-0.3 0.444 85.8 19.1-110.0 -4.1 16.9 -10.5 36.2 45 45 A G E -B 60 0B 6 15,-0.2 2,-0.3 -7,-0.1 -1,-0.3 -0.987 58.6-172.2-156.5 157.3 17.0 -7.3 34.0 46 46 A L E -B 59 0B 0 13,-2.2 13,-2.3 -2,-0.3 2,-0.4 -0.939 11.5-151.0-155.4 131.2 14.6 -4.6 32.9 47 47 A A E > -B 58 0B 0 -2,-0.3 3,-1.5 11,-0.2 4,-0.4 -0.841 25.8-124.0-101.7 145.3 15.1 -1.8 30.3 48 48 A A G > >S+ 0 0 0 9,-2.9 5,-2.3 -2,-0.4 3,-1.9 0.852 109.5 66.8 -55.5 -37.3 13.2 1.6 30.8 49 49 A T G > 5S+ 0 0 0 1,-0.3 3,-1.7 8,-0.2 -1,-0.3 0.848 92.7 61.5 -48.0 -41.7 11.7 1.1 27.3 50 50 A Q G < 5S+ 0 0 2 -3,-1.5 -44,-3.1 1,-0.3 -1,-0.3 0.646 106.2 44.6 -63.3 -20.7 9.7 -1.9 28.7 51 51 A V G < 5S- 0 0 13 -3,-1.9 -1,-0.3 -4,-0.4 -2,-0.2 -0.030 125.4-102.4-113.1 29.4 7.9 0.3 31.2 52 52 A D T < 5S+ 0 0 67 -3,-1.7 2,-0.6 1,-0.2 -3,-0.2 0.777 84.0 127.8 57.5 33.8 7.3 3.0 28.5 53 53 A I < - 0 0 39 -5,-2.3 2,-1.5 -6,-0.1 4,-0.2 -0.957 47.8-155.7-118.4 105.9 10.1 5.3 29.7 54 54 A H + 0 0 38 -2,-0.6 -36,-2.5 -5,-0.1 2,-0.3 -0.370 53.0 104.2 -90.8 62.9 12.2 6.1 26.7 55 55 A Q B S-a 18 0A 43 -2,-1.5 2,-2.2 -38,-0.3 -7,-0.2 -0.927 84.4 -94.3-133.3 154.6 15.5 7.0 28.2 56 56 A R S S+ 0 0 40 -38,-2.2 18,-3.3 -2,-0.3 2,-0.4 -0.445 72.7 133.2 -78.6 76.7 18.7 4.9 28.4 57 57 A I E + C 0 73B 0 -2,-2.2 -9,-2.9 -4,-0.2 2,-0.4 -0.996 26.3 175.8-129.0 128.2 18.2 3.3 31.8 58 58 A I E -BC 47 72B 0 14,-2.1 14,-2.9 -2,-0.4 2,-0.4 -0.991 11.3-163.1-130.4 139.2 18.7 -0.4 32.6 59 59 A V E +BC 46 71B 0 -13,-2.3 -13,-2.2 -2,-0.4 2,-0.3 -0.972 15.2 179.0-120.8 140.7 18.5 -2.2 36.0 60 60 A I E +BC 45 70B 2 10,-2.3 10,-3.2 -2,-0.4 -15,-0.2 -0.995 19.4 169.1-140.7 142.1 20.0 -5.8 36.5 61 61 A D + 0 0 1 -17,-2.6 8,-0.1 -2,-0.3 -2,-0.0 -0.716 8.6 161.6-150.1 102.6 20.4 -8.3 39.2 62 62 A V + 0 0 40 6,-0.3 7,-0.1 -2,-0.2 -18,-0.1 0.365 38.7 125.9-100.4 6.9 21.5 -11.7 38.2 63 63 A S > - 0 0 10 5,-0.3 3,-0.9 1,-0.1 5,-0.1 -0.268 65.7-130.2 -71.6 151.2 22.6 -12.8 41.7 64 64 A E T 3 S+ 0 0 178 1,-0.2 -1,-0.1 2,-0.1 -3,-0.0 0.920 110.5 43.5 -64.2 -41.0 21.5 -15.9 43.5 65 65 A N T 3 S- 0 0 119 1,-0.0 -1,-0.2 2,-0.0 -2,-0.0 0.407 104.7-126.7 -88.8 2.8 20.6 -13.9 46.6 66 66 A R S < S+ 0 0 90 -3,-0.9 -2,-0.1 1,-0.1 3,-0.1 0.840 81.4 107.0 56.4 42.8 18.9 -11.0 44.8 67 67 A D + 0 0 109 1,-0.1 2,-0.3 2,-0.0 -1,-0.1 -0.059 44.1 92.6-138.6 31.1 21.1 -8.4 46.5 68 68 A E - 0 0 125 -5,-0.1 2,-0.6 2,-0.0 -6,-0.3 -0.705 57.1-166.8-127.7 82.3 23.5 -7.2 43.7 69 69 A R - 0 0 150 -2,-0.3 2,-0.5 -8,-0.1 -8,-0.2 -0.534 4.3-172.7 -75.6 115.2 21.9 -4.2 42.1 70 70 A L E -C 60 0B 32 -10,-3.2 -10,-2.3 -2,-0.6 2,-0.5 -0.919 2.9-166.5-107.2 128.6 23.6 -3.2 38.8 71 71 A V E -C 59 0B 12 -2,-0.5 2,-0.5 -12,-0.2 -12,-0.2 -0.949 4.5-171.8-114.0 130.3 22.4 0.1 37.3 72 72 A L E +C 58 0B 0 -14,-2.9 -14,-2.1 -2,-0.5 2,-0.5 -0.936 8.0 175.9-123.1 102.3 23.4 1.0 33.6 73 73 A I E S-CD 57 111B 0 38,-2.0 38,-2.4 -2,-0.5 -16,-0.2 -0.933 75.6 -7.3-106.6 131.0 22.5 4.5 32.6 74 74 A N E S- 0 0 45 -18,-3.3 -1,-0.2 -2,-0.5 -17,-0.1 0.923 90.4-165.6 50.6 47.9 23.6 5.5 29.1 75 75 A P E - 0 0 5 0, 0.0 2,-0.4 0, 0.0 35,-0.2 -0.355 10.3-163.1 -66.1 148.6 25.6 2.3 28.6 76 76 A E E - D 0 109B 113 33,-2.6 33,-2.0 -2,-0.0 2,-0.6 -0.999 19.1-129.9-132.8 131.8 28.1 2.0 25.8 77 77 A L E + D 0 108B 77 -2,-0.4 31,-0.2 31,-0.2 3,-0.1 -0.720 28.2 175.7 -81.2 121.3 29.5 -1.3 24.6 78 78 A L E - 0 0 53 29,-3.5 2,-0.3 -2,-0.6 30,-0.2 0.831 62.2 -9.4 -96.2 -38.8 33.3 -1.0 24.4 79 79 A E E - D 0 107B 127 28,-1.6 28,-2.7 2,-0.0 -1,-0.4 -0.983 57.3-175.5-156.6 157.4 34.4 -4.5 23.4 80 80 A K E + D 0 106B 143 -2,-0.3 2,-0.3 26,-0.3 26,-0.2 -0.977 6.3 177.0-151.3 158.2 32.9 -7.9 23.0 81 81 A S E + D 0 105B 63 24,-2.2 24,-2.5 -2,-0.3 23,-1.1 -0.994 38.9 21.6-160.6 159.1 34.2 -11.3 22.1 82 82 A G - 0 0 38 -2,-0.3 2,-0.3 21,-0.2 23,-0.1 -0.062 67.4-103.6 75.7 179.2 33.2 -15.0 21.7 83 83 A E + 0 0 159 20,-0.3 2,-0.3 21,-0.1 20,-0.2 -0.990 44.3 144.0-142.5 148.9 29.8 -16.4 21.0 84 84 A T B -F 102 0C 59 18,-2.4 18,-2.6 -2,-0.3 2,-0.3 -0.916 19.4-162.9-166.6 179.6 27.3 -18.2 23.2 85 85 A G - 0 0 24 -2,-0.3 2,-0.3 16,-0.2 14,-0.1 -0.879 7.7-175.0-174.7 147.7 23.6 -18.6 23.8 86 86 A I - 0 0 71 14,-0.4 2,-1.2 -2,-0.3 14,-1.1 -0.880 49.9 -85.6-135.8 168.2 21.0 -19.7 26.3 87 87 A E E -G 99 0D 128 -2,-0.3 12,-0.3 12,-0.2 2,-0.2 -0.691 57.2-158.1 -79.1 102.2 17.2 -20.0 26.0 88 88 A E E -G 98 0D 10 10,-2.1 10,-1.6 -2,-1.2 2,-0.2 -0.565 13.1-165.4 -84.3 149.8 16.3 -16.4 26.9 89 89 A G - 0 0 30 -2,-0.2 2,-0.3 8,-0.2 8,-0.1 -0.570 6.3-152.7-116.1-177.0 13.0 -15.2 28.2 90 90 A C > - 0 0 17 3,-0.4 3,-1.8 6,-0.4 6,-0.3 -0.948 23.6-132.9-161.0 135.6 11.7 -11.6 28.4 91 91 A L T 3 S+ 0 0 42 -2,-0.3 -86,-0.1 1,-0.3 -1,-0.1 0.741 112.1 53.0 -62.5 -21.7 9.2 -9.9 30.7 92 92 A S T 3 S+ 0 0 0 1,-0.2 -84,-2.4 -85,-0.1 -1,-0.3 0.444 109.4 48.9 -92.9 1.0 7.7 -8.3 27.6 93 93 A I S X S- 0 0 0 -3,-1.8 3,-1.7 -86,-0.2 -3,-0.4 -0.542 93.2-147.8-136.4 66.2 7.2 -11.8 25.9 94 94 A P T 3 - 0 0 25 0, 0.0 67,-0.1 0, 0.0 -3,-0.1 -0.015 68.1 -8.0 -42.3 127.9 5.6 -13.8 28.7 95 95 A E T 3 S+ 0 0 158 1,-0.2 2,-0.4 -5,-0.1 -4,-0.1 0.495 101.2 116.0 63.8 10.9 6.3 -17.5 28.9 96 96 A Q < + 0 0 24 -3,-1.7 -6,-0.4 -6,-0.3 2,-0.3 -0.920 37.7 178.3-112.0 137.6 8.2 -17.8 25.6 97 97 A R + 0 0 182 -2,-0.4 2,-0.3 -8,-0.1 -8,-0.2 -0.978 4.1 168.5-135.5 151.6 11.9 -18.7 25.5 98 98 A A E -G 88 0D 17 -10,-1.6 -10,-2.1 -2,-0.3 2,-0.3 -0.968 39.4-104.5-161.9 144.2 14.4 -19.3 22.6 99 99 A L E -G 87 0D 110 -12,-0.3 -12,-0.2 -2,-0.3 -14,-0.1 -0.544 41.6-174.8 -70.3 133.3 18.1 -19.7 22.1 100 100 A V - 0 0 1 -14,-1.1 -14,-0.4 -2,-0.3 2,-0.2 -0.989 28.0-111.3-134.3 137.1 19.6 -16.5 20.7 101 101 A P + 0 0 96 0, 0.0 2,-0.3 0, 0.0 -16,-0.2 -0.523 45.9 166.4 -70.5 134.0 23.3 -15.9 19.6 102 102 A R B -F 84 0C 12 -18,-2.6 -18,-2.4 -2,-0.2 2,-0.1 -0.957 42.6 -94.9-141.9 160.9 25.2 -13.5 21.9 103 103 A A - 0 0 9 -2,-0.3 -20,-0.3 -20,-0.2 -21,-0.2 -0.511 30.9-138.9 -70.8 146.9 28.8 -12.5 22.5 104 104 A E S S+ 0 0 81 -23,-1.1 20,-0.4 1,-0.2 2,-0.3 0.869 83.5 25.3 -76.3 -36.5 30.3 -14.5 25.3 105 105 A K E -D 81 0B 97 -24,-2.5 -24,-2.2 18,-0.2 2,-0.3 -0.962 66.9-179.9-130.9 144.7 32.1 -11.5 27.0 106 106 A V E -DE 80 122B 7 16,-2.3 16,-3.1 -2,-0.3 2,-0.4 -0.974 16.9-154.0-140.3 156.9 31.5 -7.8 26.9 107 107 A K E +DE 79 121B 35 -28,-2.7 -29,-3.5 -2,-0.3 -28,-1.6 -0.999 25.9 174.3-129.8 123.6 33.0 -4.7 28.4 108 108 A I E -DE 77 120B 0 12,-2.5 12,-2.6 -2,-0.4 2,-0.4 -0.878 23.1-149.4-127.6 165.4 30.7 -1.7 28.9 109 109 A R E +DE 76 119B 103 -33,-2.0 -33,-2.6 -2,-0.3 2,-0.3 -0.977 32.1 144.4-129.6 142.6 30.9 1.8 30.4 110 110 A A E - E 0 118B 3 8,-2.1 8,-2.1 -2,-0.4 2,-0.4 -0.919 47.1 -93.4-160.0-177.7 27.8 3.5 32.0 111 111 A L E -DE 73 117B 46 -38,-2.4 -38,-2.0 -2,-0.3 2,-0.1 -0.915 36.8-140.2-108.1 140.0 26.7 5.8 34.8 112 112 A D > - 0 0 35 4,-2.2 3,-2.4 -2,-0.4 -40,-0.1 -0.167 41.9 -77.8 -87.8-173.7 25.5 4.3 38.1 113 113 A R T 3 S+ 0 0 83 1,-0.3 -82,-0.1 2,-0.1 -85,-0.1 0.743 133.2 51.8 -59.2 -24.2 22.6 5.4 40.3 114 114 A D T 3 S- 0 0 122 2,-0.1 -1,-0.3 -86,-0.0 -91,-0.1 0.356 120.7-107.1 -91.6 3.1 24.8 8.3 41.6 115 115 A G S < S+ 0 0 26 -3,-2.4 -2,-0.1 1,-0.3 -92,-0.1 0.624 73.4 144.3 80.1 13.6 25.7 9.5 38.1 116 116 A K - 0 0 116 1,-0.0 -4,-2.2 -5,-0.0 -1,-0.3 -0.677 49.7-124.7 -91.9 133.6 29.2 8.2 38.4 117 117 A P E +E 111 0B 78 0, 0.0 2,-0.3 0, 0.0 -6,-0.2 -0.476 38.5 164.8 -73.4 146.9 30.9 6.6 35.3 118 118 A F E -E 110 0B 46 -8,-2.1 -8,-2.1 -2,-0.1 2,-0.4 -0.958 29.2-133.0-153.4 162.8 32.2 3.1 35.7 119 119 A E E -E 109 0B 95 -2,-0.3 2,-0.4 -10,-0.2 -10,-0.2 -0.939 18.9-168.3-120.9 145.4 33.4 0.2 33.5 120 120 A L E -E 108 0B 39 -12,-2.6 -12,-2.5 -2,-0.4 2,-0.5 -0.998 10.8-158.6-137.3 128.6 32.3 -3.4 33.8 121 121 A E E +E 107 0B 145 -2,-0.4 2,-0.3 -14,-0.2 -14,-0.2 -0.922 25.4 179.6-102.3 131.7 33.7 -6.5 32.2 122 122 A A E +E 106 0B 11 -16,-3.1 -16,-2.3 -2,-0.5 2,-0.2 -0.963 15.6 172.4-134.9 156.1 31.2 -9.4 32.1 123 123 A D >> + 0 0 96 -2,-0.3 4,-1.5 -18,-0.2 3,-0.6 -0.764 53.2 21.1-142.1-176.0 30.9 -13.0 31.0 124 124 A G H 3> S- 0 0 37 -20,-0.4 4,-1.9 -2,-0.2 5,-0.2 -0.111 124.4 -12.1 53.5-144.9 28.4 -15.8 31.4 125 125 A L H 3> S+ 0 0 81 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.884 135.8 56.5 -58.1 -42.9 24.8 -14.9 32.3 126 126 A L H <> S+ 0 0 40 -3,-0.6 4,-2.7 1,-0.2 -1,-0.2 0.941 106.3 49.6 -59.9 -45.4 25.6 -11.4 33.1 127 127 A A H X S+ 0 0 0 -4,-1.5 4,-1.9 -23,-0.2 -1,-0.2 0.922 113.5 47.1 -57.7 -45.4 27.1 -10.7 29.7 128 128 A I H X S+ 0 0 8 -4,-1.9 4,-2.5 2,-0.2 -1,-0.2 0.938 111.8 49.9 -60.9 -46.6 24.0 -12.2 28.0 129 129 A C H X S+ 0 0 6 -4,-2.8 4,-2.9 1,-0.2 5,-0.2 0.934 108.7 53.0 -59.1 -43.8 21.7 -10.2 30.2 130 130 A I H X S+ 0 0 1 -4,-2.7 4,-2.5 -5,-0.2 -1,-0.2 0.925 110.6 46.7 -60.5 -39.3 23.5 -6.9 29.5 131 131 A Q H X S+ 0 0 31 -4,-1.9 4,-2.4 1,-0.2 -1,-0.2 0.914 111.4 51.1 -69.8 -40.6 23.2 -7.5 25.7 132 132 A H H X S+ 0 0 15 -4,-2.5 4,-1.5 2,-0.2 -2,-0.2 0.923 113.6 44.8 -62.6 -45.0 19.5 -8.4 26.0 133 133 A E H X S+ 0 0 8 -4,-2.9 4,-1.1 2,-0.2 -2,-0.2 0.914 111.8 51.4 -68.6 -41.4 18.8 -5.2 28.0 134 134 A M H >X S+ 0 0 29 -4,-2.5 4,-0.6 -5,-0.2 3,-0.5 0.897 105.3 57.6 -60.1 -36.5 20.9 -2.9 25.7 135 135 A D H ><>S+ 0 0 24 -4,-2.4 5,-2.6 1,-0.2 3,-1.5 0.913 100.3 58.2 -60.1 -40.1 18.9 -4.4 22.8 136 136 A H H ><5S+ 0 0 1 -4,-1.5 3,-1.6 1,-0.3 -1,-0.2 0.852 98.4 59.6 -58.5 -35.9 15.7 -3.2 24.4 137 137 A L H <<5S+ 0 0 0 -4,-1.1 -120,-2.7 -3,-0.5 -1,-0.3 0.663 107.4 44.8 -69.2 -17.7 16.9 0.4 24.5 138 138 A V T <<5S- 0 0 75 -3,-1.5 -1,-0.3 -4,-0.6 -122,-0.2 0.046 125.7-101.1-109.5 24.2 17.3 0.4 20.7 139 139 A G T < 5S+ 0 0 8 -3,-1.6 2,-0.4 -124,-0.5 -3,-0.2 0.721 78.2 136.1 66.8 29.9 13.9 -1.2 20.2 140 140 A K < - 0 0 80 -5,-2.6 2,-0.3 -6,-0.2 -1,-0.2 -0.864 34.2-164.3-112.5 138.5 15.2 -4.8 19.6 141 141 A L > - 0 0 2 -2,-0.4 3,-1.9 1,-0.1 4,-0.3 -0.849 33.4-111.9-119.4 158.5 13.7 -7.9 21.2 142 142 A F G > S+ 0 0 2 -2,-0.3 3,-1.7 1,-0.3 4,-0.2 0.812 113.5 65.7 -64.1 -24.9 15.2 -11.3 21.4 143 143 A M G > S+ 0 0 0 1,-0.3 3,-2.0 2,-0.2 -1,-0.3 0.764 83.9 77.0 -66.0 -19.8 12.6 -12.8 19.0 144 144 A D G < S+ 0 0 49 -3,-1.9 -1,-0.3 1,-0.3 -2,-0.2 0.665 87.9 58.2 -63.7 -17.0 14.2 -10.6 16.3 145 145 A Y G < S+ 0 0 77 -3,-1.7 -1,-0.3 -4,-0.3 -2,-0.2 0.540 96.5 82.7 -88.5 -7.5 17.0 -13.1 16.1 146 146 A L S < S- 0 0 23 -3,-2.0 5,-0.1 -4,-0.2 -46,-0.0 -0.428 93.2 -80.6 -94.7 166.1 14.6 -15.9 15.2 147 147 A S > - 0 0 51 -2,-0.1 4,-2.4 1,-0.1 5,-0.2 -0.233 42.9-109.9 -63.4 155.7 13.0 -17.0 11.9 148 148 A P H > S+ 0 0 107 0, 0.0 4,-2.1 0, 0.0 5,-0.1 0.897 119.7 53.6 -53.7 -40.5 10.0 -15.1 10.7 149 149 A L H > S+ 0 0 98 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.942 107.8 48.5 -61.4 -48.0 7.8 -18.1 11.4 150 150 A K H > S+ 0 0 97 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.869 109.8 53.1 -60.1 -37.4 9.1 -18.4 15.0 151 151 A Q H X S+ 0 0 41 -4,-2.4 4,-2.6 2,-0.2 -1,-0.2 0.905 108.3 50.6 -63.2 -42.4 8.4 -14.8 15.6 152 152 A Q H X S+ 0 0 101 -4,-2.1 4,-2.4 -5,-0.2 -2,-0.2 0.932 111.7 47.2 -60.3 -47.4 4.8 -15.2 14.3 153 153 A R H X S+ 0 0 92 -4,-2.5 4,-2.0 1,-0.2 -1,-0.2 0.843 111.4 51.4 -65.6 -35.6 4.3 -18.2 16.7 154 154 A I H X S+ 0 0 13 -4,-2.2 4,-2.2 -5,-0.2 5,-0.2 0.940 111.2 47.0 -67.3 -44.0 5.7 -16.3 19.6 155 155 A R H X S+ 0 0 72 -4,-2.6 4,-2.4 1,-0.2 -2,-0.2 0.920 112.4 49.9 -62.7 -42.7 3.5 -13.3 19.0 156 156 A Q H X S+ 0 0 102 -4,-2.4 4,-2.1 1,-0.2 -1,-0.2 0.889 110.3 50.9 -64.6 -37.8 0.4 -15.5 18.6 157 157 A K H X S+ 0 0 99 -4,-2.0 4,-2.4 2,-0.2 -1,-0.2 0.896 110.7 46.8 -67.7 -40.8 1.2 -17.3 21.8 158 158 A V H X S+ 0 0 0 -4,-2.2 4,-2.9 2,-0.2 5,-0.3 0.947 110.3 53.2 -66.4 -47.9 1.6 -14.2 23.9 159 159 A E H X S+ 0 0 80 -4,-2.4 4,-1.4 1,-0.2 -2,-0.2 0.909 110.0 49.6 -53.2 -42.6 -1.6 -12.6 22.5 160 160 A K H >X S+ 0 0 120 -4,-2.1 4,-2.4 2,-0.2 3,-0.7 0.966 110.5 48.4 -62.2 -51.9 -3.4 -15.8 23.5 161 161 A L H 3X S+ 0 0 45 -4,-2.4 4,-0.7 1,-0.3 -2,-0.2 0.898 112.9 48.5 -53.7 -43.6 -2.0 -15.7 27.0 162 162 A D H 3< S+ 0 0 65 -4,-2.9 -1,-0.3 2,-0.2 -2,-0.2 0.746 107.8 55.3 -72.8 -21.1 -2.9 -12.1 27.4 163 163 A R H << S+ 0 0 180 -4,-1.4 -2,-0.2 -3,-0.7 -1,-0.2 0.919 104.6 51.3 -74.1 -44.4 -6.5 -12.7 26.1 164 164 A L H < 0 0 128 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.759 360.0 360.0 -60.7 -19.2 -7.0 -15.4 28.8 165 165 A K < 0 0 219 -4,-0.7 -1,-0.2 -5,-0.3 -2,-0.1 -0.395 360.0 360.0 63.1 360.0 -5.8 -12.5 30.9