==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=19-OCT-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 19-JUN-12 2LUO . COMPND 2 MOLECULE: LOW MOLECULAR WEIGHT PROTEIN-TYROSINE-PHOSPHATASE . SOURCE 2 ORGANISM_SCIENTIFIC: MYCOBACTERIUM TUBERCULOSIS; . AUTHOR T.STEHLE,S.SREERAMULU,F.LOEHR,C.RICHTER,K.SAXENA,H.R.A.JONKE . 164 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8719.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 115 70.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 18 11.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 2.4 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 . 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 . 14 8.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 14 8.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 58 35.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 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 1 0 0 0 0 0 2 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 1 0 RESIDUES PER ALPHA HELIX . 1 0 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 PARALLEL BRIDGES PER LADDER . 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 ANTIPARALLEL BRIDGES PER LADDER . 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 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 0 A G 0 0 60 0, 0.0 2,-1.5 0, 0.0 161,-0.1 0.000 360.0 360.0 360.0 118.5 -14.8 23.8 -24.2 2 1 A M - 0 0 189 0, 0.0 2,-0.6 0, 0.0 162,-0.1 -0.665 360.0-173.9 -88.9 81.2 -12.5 21.1 -23.0 3 2 A S - 0 0 58 -2,-1.5 159,-0.1 160,-0.2 3,-0.1 -0.725 18.3-135.1 -81.0 117.3 -10.1 23.2 -21.0 4 3 A D - 0 0 121 -2,-0.6 34,-0.1 1,-0.1 157,-0.1 -0.288 35.0 -87.4 -65.3 159.8 -7.2 21.2 -19.7 5 4 A P - 0 0 47 0, 0.0 34,-0.3 0, 0.0 -1,-0.1 -0.150 42.4 -99.4 -69.5 164.1 -6.2 21.8 -16.1 6 5 A L E -a 39 0A 3 32,-1.8 34,-2.4 -3,-0.1 2,-0.2 -0.039 26.4-143.5 -68.4-177.9 -3.8 24.4 -14.8 7 6 A H E +a 40 0A 55 32,-0.2 79,-2.8 2,-0.0 2,-0.8 -0.682 17.9 178.1-156.8 87.7 -0.1 23.6 -13.9 8 7 A V E -ab 41 86A 0 32,-1.4 34,-3.9 -2,-0.2 2,-0.6 -0.856 7.0-178.4 -97.1 104.7 1.4 25.3 -10.9 9 8 A T E -ab 42 87A 0 77,-3.0 79,-1.5 -2,-0.8 2,-0.4 -0.911 15.8-147.3-108.0 115.6 5.0 24.1 -10.5 10 9 A F E -ab 43 88A 1 32,-2.1 34,-3.3 -2,-0.6 2,-0.6 -0.722 10.1-156.2 -84.6 131.8 6.8 25.6 -7.5 11 10 A V E +ab 44 89A 0 77,-3.0 79,-2.1 -2,-0.4 80,-0.4 -0.905 28.5 141.0-116.2 112.6 10.6 26.1 -7.9 12 11 A C - 0 0 5 32,-1.7 2,-0.9 -2,-0.6 34,-0.3 -0.912 60.3 -81.7-141.6 165.8 12.9 26.2 -4.9 13 12 A T S S+ 0 0 54 -2,-0.3 3,-0.2 1,-0.2 5,-0.2 -0.603 118.8 5.0 -73.5 101.6 16.3 25.0 -3.9 14 13 A G S S- 0 0 3 -2,-0.9 36,-0.8 1,-0.2 -1,-0.2 -0.254 84.5-135.1 120.7 -43.3 15.7 21.4 -2.9 15 14 A N S S+ 0 0 1 29,-0.2 60,-0.2 59,-0.1 -1,-0.2 0.735 88.1 90.6 60.2 25.8 12.0 21.0 -3.8 16 15 A I S S+ 0 0 11 -3,-0.2 40,-3.5 39,-0.1 43,-0.2 0.436 87.7 33.5-126.5 0.7 11.6 19.3 -0.5 17 16 A C S > S+ 0 0 35 38,-0.2 4,-1.1 -4,-0.1 -3,-0.1 0.610 125.1 9.3-120.6 -88.8 10.8 22.2 1.7 18 17 A R H > S+ 0 0 5 2,-0.2 4,-1.9 1,-0.2 5,-0.3 0.881 125.4 54.5 -71.9 -40.4 8.8 25.3 0.6 19 18 A S H > S+ 0 0 0 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.975 112.6 40.6 -58.5 -58.3 7.7 24.0 -2.8 20 19 A P H > S+ 0 0 0 0, 0.0 4,-1.9 0, 0.0 -1,-0.2 0.719 108.6 66.5 -64.5 -21.0 6.1 20.7 -1.5 21 20 A M H X S+ 0 0 3 -4,-1.1 4,-1.8 2,-0.2 -2,-0.2 0.991 109.3 32.8 -63.0 -54.5 4.7 22.8 1.4 22 21 A A H X>S+ 0 0 2 -4,-1.9 4,-1.4 2,-0.2 5,-1.0 0.838 110.6 70.7 -71.8 -27.8 2.4 24.9 -0.8 23 22 A E H X5S+ 0 0 30 -4,-2.1 4,-1.0 -5,-0.3 5,-0.3 0.959 110.7 28.4 -50.5 -53.5 2.0 21.9 -3.0 24 23 A K H X5S+ 0 0 11 -4,-1.9 4,-1.2 3,-0.2 -1,-0.2 0.788 118.0 63.9 -82.8 -27.3 -0.1 20.1 -0.4 25 24 A M H X5S+ 0 0 0 -4,-1.8 4,-1.4 -5,-0.2 -2,-0.2 0.993 118.2 13.3 -62.9 -75.6 -1.5 23.2 1.1 26 25 A F H X5S+ 0 0 0 -4,-1.4 4,-2.4 1,-0.2 -2,-0.1 0.825 124.3 60.7 -78.0 -29.9 -3.5 25.0 -1.5 27 26 A A H XX>S+ 0 0 0 -4,-2.4 5,-2.9 2,-0.2 4,-1.9 0.974 111.8 39.2 -55.9 -61.4 -8.4 22.8 -4.5 31 30 A R H 3<5S+ 0 0 157 -4,-2.2 -1,-0.2 4,-0.4 -2,-0.2 0.857 111.4 61.2 -59.1 -33.6 -9.5 19.2 -4.6 32 31 A H H 3<5S+ 0 0 147 -4,-2.3 -1,-0.3 -5,-0.2 -2,-0.2 0.742 112.3 37.3 -63.4 -25.5 -11.4 19.9 -1.4 33 32 A R H <<5S- 0 0 160 -3,-1.3 -1,-0.2 -4,-1.2 -2,-0.2 0.639 129.5 -95.1 -98.6 -21.3 -13.5 22.5 -3.2 34 33 A G T <5S+ 0 0 57 -4,-1.9 -3,-0.3 -5,-0.2 -2,-0.1 0.700 100.6 99.1 114.3 33.2 -13.6 20.5 -6.4 35 34 A L >>< + 0 0 36 -5,-2.9 4,-1.3 -8,-0.1 3,-0.5 0.268 41.7 110.3-127.1 6.5 -10.8 21.9 -8.5 36 35 A G T 34 S+ 0 0 19 -6,-0.6 5,-0.2 1,-0.3 -5,-0.2 0.824 91.1 35.3 -54.2 -35.8 -8.2 19.2 -7.8 37 36 A D T 34 S+ 0 0 122 1,-0.2 -1,-0.3 -7,-0.1 3,-0.1 0.587 109.8 65.9 -92.3 -14.0 -8.4 17.9 -11.4 38 37 A A T <4 S+ 0 0 35 -3,-0.5 -32,-1.8 1,-0.2 2,-0.4 0.637 110.6 33.5 -80.8 -17.9 -9.0 21.4 -12.8 39 38 A V E < S-a 6 0A 1 -4,-1.3 2,-0.9 -34,-0.3 -1,-0.2 -0.961 71.1-148.1-144.6 124.3 -5.5 22.5 -11.8 40 39 A R E -a 7 0A 104 -34,-2.4 -32,-1.4 -2,-0.4 2,-0.4 -0.800 17.3-165.9 -95.7 101.5 -2.3 20.4 -11.7 41 40 A V E +a 8 0A 29 -2,-0.9 2,-0.2 -34,-0.3 -32,-0.2 -0.722 19.7 155.5 -89.0 136.6 -0.1 21.6 -9.0 42 41 A T E -a 9 0A 34 -34,-3.9 -32,-2.1 -2,-0.4 2,-0.3 -0.840 23.5-144.5-146.6-176.1 3.5 20.4 -9.1 43 42 A S E +a 10 0A 6 -34,-0.4 2,-0.3 -2,-0.2 -32,-0.2 -0.978 12.4 176.4-158.8 160.7 7.0 21.3 -8.0 44 43 A A E -a 11 0A 0 -34,-3.3 -32,-1.7 -2,-0.3 2,-0.4 -0.985 20.9-130.6-162.7 161.9 10.7 21.3 -8.9 45 44 A G B > -d 76 0B 0 30,-1.5 32,-1.9 -2,-0.3 3,-0.7 -0.980 8.3-147.9-124.3 138.5 14.1 22.3 -7.9 46 45 A T T 3 S+ 0 0 33 -2,-0.4 -33,-0.1 -34,-0.3 -1,-0.1 0.754 103.8 38.5 -74.4 -24.0 16.8 24.1 -10.0 47 46 A G T 3 S- 0 0 27 -35,-0.3 -1,-0.2 29,-0.0 4,-0.1 0.233 98.3-134.1-110.8 9.4 19.6 22.4 -8.2 48 47 A N X + 0 0 66 -3,-0.7 3,-1.5 27,-0.1 28,-0.1 0.700 43.2 163.4 42.7 37.3 18.0 18.9 -7.8 49 48 A W T 3 S+ 0 0 164 1,-0.3 -1,-0.1 4,-0.0 -34,-0.1 0.914 79.2 7.8 -44.8 -70.4 19.2 18.8 -4.2 50 49 A H T > S+ 0 0 89 -36,-0.8 3,-2.2 25,-0.1 24,-0.3 -0.270 88.3 165.6-109.6 43.7 16.9 16.0 -3.1 51 50 A V T < S+ 0 0 67 -3,-1.5 24,-0.2 1,-0.3 3,-0.1 -0.414 73.1 19.7 -62.5 129.7 15.5 15.1 -6.5 52 51 A G T 3 S+ 0 0 40 22,-3.1 -1,-0.3 1,-0.3 23,-0.1 0.245 109.2 105.7 92.1 -13.5 13.7 11.7 -6.2 53 52 A S < - 0 0 43 -3,-2.2 21,-2.1 1,-0.1 -1,-0.3 0.039 69.6-109.6 -80.0-162.3 13.5 12.2 -2.5 54 53 A C B -E 73 0C 48 19,-0.2 19,-0.2 1,-0.2 -1,-0.1 -0.639 49.6 -56.3-126.5 175.9 10.4 13.1 -0.4 55 54 A A - 0 0 14 17,-0.5 -38,-0.2 15,-0.5 -1,-0.2 -0.281 68.8 -94.3 -57.1 141.1 9.2 16.2 1.5 56 55 A D > - 0 0 19 -40,-3.5 4,-2.4 1,-0.1 3,-0.2 -0.254 28.7-117.8 -61.1 141.2 11.7 17.4 4.2 57 56 A E H > S+ 0 0 170 1,-0.2 4,-1.7 2,-0.2 5,-0.1 0.806 113.0 53.5 -46.2 -37.8 11.1 16.1 7.7 58 57 A R H > S+ 0 0 91 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.955 111.5 42.6 -69.9 -45.3 10.5 19.7 8.9 59 58 A A H > S+ 0 0 4 1,-0.2 4,-3.0 -43,-0.2 5,-0.3 0.823 109.7 59.3 -71.0 -31.6 7.8 20.5 6.4 60 59 A A H X S+ 0 0 23 -4,-2.4 4,-2.4 2,-0.2 -1,-0.2 0.916 107.5 45.7 -62.6 -43.4 6.2 17.1 6.9 61 60 A G H X S+ 0 0 33 -4,-1.7 4,-1.8 -5,-0.2 -2,-0.2 0.911 113.2 51.2 -64.4 -42.4 5.8 17.9 10.6 62 61 A V H X S+ 0 0 11 -4,-2.0 4,-1.2 2,-0.2 -2,-0.2 0.971 114.8 40.2 -58.1 -58.5 4.4 21.3 9.8 63 62 A L H >X>S+ 0 0 0 -4,-3.0 5,-3.3 1,-0.2 3,-1.2 0.951 116.8 48.6 -59.0 -51.2 1.8 20.1 7.3 64 63 A R H ><5S+ 0 0 192 -4,-2.4 3,-0.7 1,-0.3 -1,-0.2 0.813 105.5 60.8 -60.9 -29.3 0.8 17.1 9.3 65 64 A A H 3<5S+ 0 0 76 -4,-1.8 -1,-0.3 1,-0.3 -2,-0.2 0.817 111.2 38.7 -67.2 -31.5 0.5 19.3 12.3 66 65 A H H <<5S- 0 0 95 -3,-1.2 -1,-0.3 -4,-1.2 -2,-0.2 0.347 126.0-100.1 -99.4 1.9 -2.2 21.4 10.6 67 66 A G T <<5S+ 0 0 60 -3,-0.7 -3,-0.3 -4,-0.5 -2,-0.1 0.660 77.1 139.6 90.0 16.3 -3.8 18.3 9.0 68 67 A Y < - 0 0 48 -5,-3.3 -1,-0.3 -6,-0.2 -43,-0.1 -0.652 56.1-107.1 -92.1 149.6 -2.1 18.7 5.6 69 68 A P - 0 0 44 0, 0.0 -45,-0.1 0, 0.0 -1,-0.1 -0.312 25.8-170.3 -68.9 158.2 -0.8 15.8 3.4 70 69 A T + 0 0 40 -7,-0.1 -15,-0.5 -46,-0.1 2,-0.2 0.427 41.7 118.9-134.5 3.5 3.0 15.5 3.2 71 70 A D + 0 0 130 -17,-0.1 2,-0.3 -11,-0.1 -17,-0.0 -0.490 33.7 130.5 -79.9 135.7 3.6 12.9 0.5 72 71 A H - 0 0 11 -2,-0.2 2,-0.5 -17,-0.1 -17,-0.5 -0.921 47.8-130.7-175.6 154.0 5.5 14.1 -2.5 73 72 A R B -E 54 0C 175 -2,-0.3 -19,-0.2 -19,-0.2 -30,-0.2 -0.977 31.5-123.7-123.3 116.7 8.5 13.1 -4.7 74 73 A A - 0 0 5 -21,-2.1 -22,-3.1 -2,-0.5 2,-0.3 -0.336 31.9-174.6 -61.3 139.0 11.0 15.8 -5.4 75 74 A A - 0 0 27 -24,-0.2 -30,-1.5 -60,-0.2 2,-0.2 -0.881 20.4-120.0-130.9 161.2 11.7 16.6 -9.0 76 75 A Q B -d 45 0B 86 -2,-0.3 2,-1.0 -32,-0.3 -30,-0.2 -0.588 45.5 -83.1 -98.1 161.4 14.2 18.9 -10.8 77 76 A V S S+ 0 0 19 -32,-1.9 2,-0.2 -2,-0.2 -33,-0.1 -0.562 71.5 152.9 -67.4 102.7 13.3 21.7 -13.2 78 77 A G > - 0 0 21 -2,-1.0 4,-2.5 1,-0.0 3,-0.5 -0.591 59.0 -77.8-120.8-170.9 12.7 19.9 -16.4 79 78 A T H > S+ 0 0 118 1,-0.3 4,-1.5 2,-0.2 5,-0.2 0.912 125.8 51.4 -55.9 -54.1 10.7 20.3 -19.6 80 79 A E H 4 S+ 0 0 109 1,-0.2 -1,-0.3 2,-0.2 -3,-0.1 0.808 112.7 48.6 -56.4 -31.4 7.3 19.2 -18.2 81 80 A H H >4 S+ 0 0 20 -3,-0.5 3,-1.7 1,-0.2 -1,-0.2 0.908 108.8 50.8 -76.3 -42.4 7.9 21.7 -15.4 82 81 A L H 3< S+ 0 0 27 -4,-2.5 -2,-0.2 1,-0.3 -1,-0.2 0.712 104.1 61.8 -66.2 -19.8 8.8 24.5 -17.8 83 82 A A T 3< S+ 0 0 60 -4,-1.5 -1,-0.3 -5,-0.2 -2,-0.2 0.459 81.6 117.9 -84.8 -5.3 5.6 23.6 -19.7 84 83 A A S < S- 0 0 0 -3,-1.7 3,-0.2 -5,-0.2 -76,-0.1 -0.192 70.9-130.6 -60.8 157.8 3.5 24.5 -16.6 85 84 A D S S+ 0 0 62 -78,-0.5 2,-0.4 1,-0.3 -77,-0.2 0.711 97.1 24.8 -82.7 -16.6 1.0 27.3 -16.8 86 85 A L E -b 8 0A 0 -79,-2.8 -77,-3.0 2,-0.0 2,-0.7 -0.952 65.0-164.4-154.6 115.8 2.4 28.8 -13.6 87 86 A L E -bc 9 108A 0 20,-2.4 22,-3.4 -2,-0.4 2,-1.3 -0.905 13.2-154.0-106.7 106.8 5.8 28.4 -12.2 88 87 A V E -bc 10 109A 0 -79,-1.5 -77,-3.0 -2,-0.7 22,-0.2 -0.653 16.0-167.1 -85.1 92.3 5.9 29.5 -8.6 89 88 A A E -bc 11 110A 0 20,-2.2 22,-2.6 -2,-1.3 23,-0.3 -0.543 19.0-159.3 -79.3 147.5 9.5 30.5 -8.0 90 89 A L S S+ 0 0 3 -79,-2.1 35,-1.5 20,-0.2 2,-0.3 0.437 77.2 28.9-103.7 -4.8 10.7 31.0 -4.5 91 90 A D B > S-F 124 0D 23 -80,-0.4 4,-2.3 33,-0.2 5,-0.2 -0.992 81.8-110.0-155.4 153.4 13.6 33.2 -5.6 92 91 A R H > S+ 0 0 172 31,-0.6 4,-1.8 -2,-0.3 32,-0.1 0.784 117.4 51.8 -50.2 -32.1 14.7 35.6 -8.3 93 92 A N H > S+ 0 0 82 2,-0.2 4,-2.9 3,-0.2 -1,-0.2 0.942 106.9 49.5 -76.3 -48.5 17.2 33.0 -9.7 94 93 A H H > S+ 0 0 10 1,-0.2 4,-2.5 2,-0.2 -2,-0.2 0.949 113.6 47.4 -55.1 -48.5 14.7 30.1 -9.9 95 94 A A H X S+ 0 0 12 -4,-2.3 4,-2.1 1,-0.2 5,-0.2 0.900 112.3 50.7 -59.3 -43.5 12.3 32.4 -11.8 96 95 A R H X S+ 0 0 159 -4,-1.8 4,-2.3 -5,-0.2 -1,-0.2 0.917 110.2 48.8 -59.7 -45.5 15.0 33.6 -14.0 97 96 A L H X S+ 0 0 49 -4,-2.9 4,-1.9 2,-0.2 -2,-0.2 0.960 110.4 50.4 -63.9 -49.5 16.2 30.1 -14.9 98 97 A L H X>S+ 0 0 0 -4,-2.5 5,-2.1 1,-0.2 4,-0.6 0.932 113.4 43.5 -52.8 -57.8 12.8 28.8 -15.7 99 98 A R H ><5S+ 0 0 138 -4,-2.1 3,-1.2 1,-0.3 -1,-0.2 0.899 115.2 48.1 -60.4 -43.2 11.8 31.6 -18.1 100 99 A Q H 3<5S+ 0 0 124 -4,-2.3 -1,-0.3 1,-0.3 -2,-0.2 0.782 107.3 59.9 -68.3 -23.3 15.2 31.6 -19.8 101 100 A L H 3<5S- 0 0 87 -4,-1.9 -1,-0.3 -3,-0.4 -2,-0.2 0.614 141.6 -67.1 -79.2 -13.4 14.9 27.8 -20.1 102 101 A G T <<5S+ 0 0 59 -3,-1.2 -3,-0.2 -4,-0.6 -2,-0.1 0.190 108.4 95.5 148.4 -22.9 11.7 28.1 -22.1 103 102 A V < - 0 0 11 -5,-2.1 2,-0.3 -6,-0.2 -1,-0.1 0.200 56.9-146.5 -75.6-156.1 9.1 29.6 -19.8 104 103 A E >> - 0 0 86 -22,-0.1 4,-3.5 -3,-0.1 3,-1.2 -0.960 33.2 -95.1-170.4 163.8 8.2 33.3 -19.5 105 104 A A T 34 S+ 0 0 55 -2,-0.3 -18,-0.1 1,-0.3 -2,-0.0 0.678 119.0 68.6 -65.8 -22.1 7.1 35.8 -16.8 106 105 A A T 34 S+ 0 0 51 1,-0.1 -1,-0.3 3,-0.0 -3,-0.0 0.889 116.8 24.0 -58.5 -37.8 3.5 35.1 -17.9 107 106 A R T <4 S+ 0 0 79 -3,-1.2 -20,-2.4 -21,-0.1 2,-0.4 0.869 112.0 74.6 -96.2 -45.3 3.9 31.6 -16.4 108 107 A V E < +c 87 0A 9 -4,-3.5 2,-0.3 -22,-0.3 -20,-0.2 -0.559 59.4 163.2 -79.1 124.8 6.7 32.1 -13.9 109 108 A R E -c 88 0A 97 -22,-3.4 -20,-2.2 -2,-0.4 2,-0.3 -0.993 38.8-109.9-140.9 147.9 5.5 33.9 -10.8 110 109 A M E -c 89 0A 8 -2,-0.3 4,-0.3 -22,-0.2 3,-0.3 -0.591 21.5-133.9 -78.9 140.2 7.0 34.3 -7.3 111 110 A L S > S+ 0 0 3 -22,-2.6 3,-1.9 -2,-0.3 4,-0.5 0.951 108.3 42.7 -58.5 -51.7 5.2 32.5 -4.4 112 111 A R G > S+ 0 0 53 1,-0.3 3,-0.6 -23,-0.3 -1,-0.3 0.710 100.3 74.0 -71.3 -14.5 5.2 35.5 -2.1 113 112 A S G 3 S+ 0 0 57 9,-0.3 -1,-0.3 -3,-0.3 -2,-0.2 0.595 93.8 53.3 -73.6 -9.5 4.3 37.7 -5.0 114 113 A F G < S+ 0 0 20 -3,-1.9 -1,-0.2 -4,-0.3 -2,-0.2 0.658 83.1 109.4 -91.0 -22.7 0.8 36.2 -4.7 115 114 A D X - 0 0 10 -3,-0.6 3,-1.4 -4,-0.5 4,-0.4 -0.380 60.2-154.5 -59.4 117.7 0.6 37.1 -1.1 116 115 A P T 3 S+ 0 0 89 0, 0.0 3,-0.3 0, 0.0 -1,-0.2 0.736 95.3 53.9 -66.4 -23.5 -2.0 40.0 -0.7 117 116 A R T 3 S+ 0 0 213 28,-0.3 3,-0.2 1,-0.2 -2,-0.1 0.413 82.3 92.6 -91.9 1.0 -0.2 41.2 2.4 118 117 A S < - 0 0 32 -3,-1.4 2,-1.9 -6,-0.2 -1,-0.2 0.942 59.9-177.6 -58.6 -51.3 3.1 41.4 0.6 119 118 A G + 0 0 74 -4,-0.4 -1,-0.2 -3,-0.3 2,-0.1 -0.491 60.3 54.0 87.9 -70.1 2.6 45.0 -0.3 120 119 A T S S- 0 0 117 -2,-1.9 2,-0.1 -3,-0.2 0, 0.0 -0.454 107.7 -77.8 -91.2 166.5 5.8 45.5 -2.2 121 120 A H - 0 0 163 -2,-0.1 2,-0.9 1,-0.1 -1,-0.1 -0.439 39.7-143.9 -64.9 136.8 6.9 43.3 -5.1 122 121 A A + 0 0 5 1,-0.1 -9,-0.3 -2,-0.1 -12,-0.1 -0.812 38.8 151.7-106.8 89.9 8.3 39.9 -4.0 123 122 A L S S+ 0 0 100 -2,-0.9 -31,-0.6 1,-0.2 2,-0.3 0.205 73.3 35.4 -99.2 15.3 11.1 39.0 -6.4 124 123 A D B S-F 91 0D 92 -33,-0.2 2,-0.3 -32,-0.1 -33,-0.2 -0.910 70.6-152.0-168.5 130.1 12.8 37.0 -3.6 125 124 A V - 0 0 9 -35,-1.5 -33,-0.1 -2,-0.3 -35,-0.1 -0.775 25.6-107.7-107.6 154.4 11.5 34.9 -0.8 126 125 A E - 0 0 67 -2,-0.3 -1,-0.1 -35,-0.0 0, 0.0 0.015 25.3-152.1 -64.7-175.8 13.2 34.2 2.6 127 126 A D - 0 0 54 -109,-0.0 2,-1.1 0, 0.0 3,-0.1 -0.837 13.4-131.6-167.4 120.9 14.7 30.9 3.6 128 127 A P + 0 0 20 0, 0.0 -2,-0.0 0, 0.0 11,-0.0 -0.634 37.1 156.5 -84.4 93.8 15.1 29.5 7.1 129 128 A Y + 0 0 185 -2,-1.1 0, 0.0 1,-0.1 0, 0.0 0.604 65.7 71.4 -87.8 -15.7 18.7 28.3 7.6 130 129 A Y S S- 0 0 186 -3,-0.1 -1,-0.1 2,-0.0 0, 0.0 0.899 89.2-147.8 -71.5 -36.2 18.6 28.5 11.3 131 130 A G + 0 0 37 1,-0.2 2,-0.2 2,-0.0 -2,-0.1 0.983 40.6 138.7 74.6 58.9 16.3 25.5 11.6 132 131 A D S > S- 0 0 96 1,-0.0 4,-1.4 0, 0.0 -1,-0.2 -0.617 71.3 -92.6-119.5-175.7 14.1 26.2 14.6 133 132 A H H > S+ 0 0 114 -2,-0.2 4,-2.0 1,-0.2 5,-0.3 0.897 127.7 54.0 -66.1 -36.1 10.4 25.7 15.2 134 133 A S H > S+ 0 0 75 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.935 102.2 56.3 -61.0 -50.1 9.9 29.2 14.1 135 134 A D H > S+ 0 0 5 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.880 110.0 45.8 -50.9 -41.4 11.7 28.7 10.8 136 135 A F H X S+ 0 0 52 -4,-1.4 4,-1.7 1,-0.2 -1,-0.2 0.967 116.5 40.6 -72.2 -53.2 9.4 25.9 9.8 137 136 A E H X S+ 0 0 90 -4,-2.0 4,-2.2 1,-0.2 -1,-0.2 0.766 109.5 64.4 -66.8 -25.3 6.0 27.5 10.8 138 137 A E H X S+ 0 0 100 -4,-2.6 4,-2.1 -5,-0.3 -1,-0.2 0.960 103.3 44.6 -61.6 -51.6 7.3 30.7 9.3 139 138 A V H X S+ 0 0 11 -4,-1.7 4,-2.7 1,-0.2 -1,-0.2 0.876 109.4 57.3 -59.9 -41.2 7.5 29.2 5.8 140 139 A F H X S+ 0 0 11 -4,-1.7 4,-3.0 1,-0.2 -1,-0.2 0.924 107.4 48.4 -54.7 -43.6 4.1 27.7 6.4 141 140 A A H X S+ 0 0 33 -4,-2.2 4,-2.1 2,-0.2 -2,-0.2 0.883 108.0 55.1 -63.9 -41.9 2.8 31.2 7.1 142 141 A V H X S+ 0 0 2 -4,-2.1 4,-1.2 2,-0.2 -2,-0.2 0.958 113.9 40.3 -53.8 -53.1 4.5 32.5 3.9 143 142 A I H >X S+ 0 0 0 -4,-2.7 4,-2.1 1,-0.2 3,-0.8 0.936 113.1 51.6 -65.0 -50.9 2.7 29.9 1.8 144 143 A E H 3< S+ 0 0 98 -4,-3.0 -1,-0.2 1,-0.3 -2,-0.2 0.837 109.6 53.2 -57.3 -30.9 -0.6 30.2 3.6 145 144 A S H 3< S+ 0 0 31 -4,-2.1 -28,-0.3 -5,-0.2 -1,-0.3 0.791 112.9 43.5 -73.5 -29.6 -0.4 33.9 3.0 146 145 A A H XX S+ 0 0 0 -4,-1.2 4,-3.3 -3,-0.8 3,-1.9 0.696 93.5 79.9 -86.7 -24.1 0.2 33.3 -0.7 147 146 A L H 3X S+ 0 0 5 -4,-2.1 4,-2.9 1,-0.3 5,-0.2 0.864 89.4 55.2 -55.2 -36.4 -2.4 30.7 -1.1 148 147 A P H 3> S+ 0 0 71 0, 0.0 4,-0.5 0, 0.0 -1,-0.3 0.641 117.2 38.7 -70.2 -10.6 -5.2 33.4 -1.3 149 148 A G H <> S+ 0 0 14 -3,-1.9 4,-1.7 2,-0.1 -2,-0.2 0.754 115.9 48.3-106.1 -33.7 -3.2 34.9 -4.2 150 149 A L H X S+ 0 0 0 -4,-3.3 4,-2.6 2,-0.2 5,-0.3 0.888 111.2 54.2 -73.0 -39.2 -2.1 31.7 -5.8 151 150 A H H X S+ 0 0 23 -4,-2.9 4,-3.5 -5,-0.3 5,-0.3 0.974 107.8 47.8 -53.0 -58.4 -5.7 30.5 -5.6 152 151 A D H X S+ 0 0 110 -4,-0.5 4,-2.9 1,-0.2 5,-0.2 0.853 112.9 49.7 -56.9 -39.8 -7.0 33.6 -7.4 153 152 A W H X S+ 0 0 13 -4,-1.7 4,-2.6 2,-0.2 5,-0.2 0.972 115.3 40.2 -65.2 -55.8 -4.4 33.3 -10.1 154 153 A V H X S+ 0 0 0 -4,-2.6 4,-3.3 2,-0.2 5,-0.3 0.932 118.3 50.1 -61.4 -42.0 -5.0 29.6 -10.9 155 154 A D H X S+ 0 0 46 -4,-3.5 4,-1.8 -5,-0.3 -2,-0.2 0.944 113.8 43.5 -60.2 -51.3 -8.7 30.1 -10.6 156 155 A E H X S+ 0 0 64 -4,-2.9 4,-2.1 -5,-0.3 -1,-0.2 0.872 118.1 45.9 -63.4 -38.4 -8.8 33.1 -12.9 157 156 A R H X S+ 0 0 75 -4,-2.6 4,-1.5 -5,-0.2 -2,-0.2 0.921 112.2 48.4 -73.8 -43.0 -6.5 31.4 -15.4 158 157 A L H X S+ 0 0 33 -4,-3.3 4,-0.7 -5,-0.2 -1,-0.2 0.800 112.6 52.3 -68.1 -26.2 -8.3 28.0 -15.4 159 158 A A H < S+ 0 0 64 -4,-1.8 3,-0.4 -5,-0.3 -2,-0.2 0.941 115.1 37.5 -73.3 -49.4 -11.5 29.9 -15.8 160 159 A R H < S+ 0 0 154 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.620 98.6 83.9 -76.8 -16.6 -10.4 32.0 -18.8 161 160 A N H < S+ 0 0 82 -4,-1.5 -1,-0.2 -5,-0.1 -2,-0.2 0.908 98.8 27.2 -58.5 -46.9 -8.4 29.0 -20.2 162 161 A G S < S- 0 0 14 -4,-0.7 -1,-0.1 -3,-0.4 -159,-0.1 -0.944 72.5-153.2-121.6 145.4 -11.4 27.5 -21.9 163 162 A P 0 0 113 0, 0.0 -160,-0.2 0, 0.0 -1,-0.1 0.229 360.0 360.0 -87.7-149.9 -14.6 29.0 -23.3 164 163 A S 0 0 157 -162,-0.1 -2,-0.0 0, 0.0 0, 0.0 0.897 360.0 360.0 -63.4 360.0 -18.1 27.6 -23.8