==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=24-JUL-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ISOMERASE 23-DEC-09 3L6B . COMPND 2 MOLECULE: SERINE RACEMASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR M.A.SMITH,J.BARKER,V.MACK,A.EBNETH,I.MORAES,B.FELICETTI,A.CE . 322 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13841.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 232 72.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 37 11.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 5 1.6 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 . 25 7.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 38 11.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 115 35.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 1.6 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 1 2 1 1 2 1 1 0 2 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 1 1 1 3 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 . 1 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 ANTIPARALLEL BRIDGES PER LADDER . 0 0 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 3 A A 0 0 132 0, 0.0 2,-0.5 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -44.8 -9.5 6.8 -3.7 2 4 A Q + 0 0 191 4,-0.0 2,-0.2 2,-0.0 4,-0.1 -0.959 360.0 165.0-127.2 114.8 -5.9 6.2 -4.8 3 5 A Y - 0 0 52 -2,-0.5 239,-0.1 2,-0.4 238,-0.1 -0.527 55.3 -88.7-116.5-177.8 -4.5 8.1 -7.8 4 6 A D S S+ 0 0 81 237,-0.4 2,-0.3 -2,-0.2 238,-0.1 0.654 112.3 28.8 -75.6 -13.5 -1.0 8.7 -9.0 5 7 A I S S- 0 0 7 149,-0.1 -2,-0.4 150,-0.0 2,-0.3 -0.936 70.3-154.1-132.6 163.6 -0.6 11.7 -6.7 6 8 A S >> - 0 0 53 -2,-0.3 4,-1.3 -4,-0.1 3,-0.5 -0.834 37.1-102.0-125.2 168.7 -2.0 12.8 -3.4 7 9 A F H 3> S+ 0 0 49 -2,-0.3 4,-2.6 1,-0.2 3,-0.4 0.891 122.0 60.8 -53.7 -42.1 -2.6 16.2 -1.8 8 10 A A H 3> S+ 0 0 61 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.872 100.3 54.6 -56.5 -36.7 0.5 15.5 0.3 9 11 A D H <> S+ 0 0 64 -3,-0.5 4,-2.4 2,-0.2 -1,-0.2 0.877 109.3 47.5 -62.8 -38.1 2.5 15.4 -2.9 10 12 A V H X S+ 0 0 0 -4,-1.3 4,-2.5 -3,-0.4 -2,-0.2 0.912 111.1 50.1 -70.1 -42.7 1.2 18.8 -3.9 11 13 A E H X S+ 0 0 98 -4,-2.6 4,-2.0 2,-0.2 -2,-0.2 0.958 112.9 46.9 -59.9 -49.0 1.9 20.3 -0.5 12 14 A K H X S+ 0 0 129 -4,-2.6 4,-2.2 1,-0.2 -2,-0.2 0.917 110.7 52.7 -57.9 -47.3 5.5 18.9 -0.6 13 15 A A H X S+ 0 0 0 -4,-2.4 4,-1.3 1,-0.2 5,-0.3 0.905 106.0 54.8 -56.0 -42.7 6.0 20.2 -4.1 14 16 A H H >X S+ 0 0 33 -4,-2.5 4,-2.2 1,-0.2 3,-0.6 0.932 108.9 45.6 -61.9 -46.0 4.9 23.7 -3.1 15 17 A I H 3< S+ 0 0 80 -4,-2.0 4,-0.5 1,-0.2 -1,-0.2 0.907 113.6 52.1 -60.1 -39.4 7.5 23.9 -0.3 16 18 A N H 3< S+ 0 0 76 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.632 122.0 27.6 -75.8 -15.9 10.1 22.6 -2.7 17 19 A I H XX S+ 0 0 0 -4,-1.3 3,-2.4 -3,-0.6 4,-0.5 0.584 93.3 89.8-116.7 -17.4 9.5 25.1 -5.5 18 20 A R G >< S+ 0 0 139 -4,-2.2 3,-0.7 1,-0.3 -2,-0.1 0.809 86.0 55.3 -59.6 -31.5 8.1 28.2 -3.8 19 21 A D G 34 S+ 0 0 147 -4,-0.5 -1,-0.3 1,-0.2 -2,-0.1 0.607 113.9 43.7 -72.7 -10.0 11.5 29.8 -3.3 20 22 A S G <4 S+ 0 0 26 -3,-2.4 2,-0.3 2,-0.1 -1,-0.2 0.332 109.0 56.2-119.9 1.1 12.1 29.4 -7.1 21 23 A I S << S- 0 0 15 -3,-0.7 2,-0.4 -4,-0.5 27,-0.1 -0.808 83.7 -99.3-126.2 170.6 8.9 30.6 -8.6 22 24 A H - 0 0 93 -2,-0.3 2,-1.5 23,-0.1 -3,-0.1 -0.774 19.8-133.7 -91.3 135.9 6.6 33.7 -8.5 23 25 A L - 0 0 114 -2,-0.4 22,-0.0 -5,-0.1 -1,-0.0 -0.759 42.7-145.9 -79.0 89.7 3.6 33.9 -6.3 24 26 A T - 0 0 1 -2,-1.5 21,-0.1 1,-0.1 24,-0.0 -0.306 10.7-108.1 -68.9 147.2 1.7 35.3 -9.3 25 27 A P - 0 0 55 0, 0.0 19,-2.7 0, 0.0 2,-0.5 -0.202 15.0-130.6 -72.1 161.7 -1.0 37.9 -8.7 26 28 A V E -A 43 0A 36 17,-0.2 2,-0.2 141,-0.1 17,-0.2 -0.981 31.5-170.4-110.7 119.1 -4.8 37.5 -9.0 27 29 A L E -A 42 0A 53 15,-2.3 15,-2.9 -2,-0.5 2,-0.3 -0.694 7.2-147.2-108.6 163.1 -6.2 40.3 -11.1 28 30 A T - 0 0 89 -2,-0.2 2,-0.4 13,-0.2 13,-0.1 -0.856 3.1-154.4-128.7 163.9 -9.8 41.4 -11.8 29 31 A S > - 0 0 8 11,-0.4 4,-2.0 -2,-0.3 11,-0.3 -0.948 8.2-161.5-142.5 118.3 -11.8 42.9 -14.6 30 32 A S H > S+ 0 0 103 -2,-0.4 4,-2.3 2,-0.2 5,-0.1 0.903 95.9 50.9 -64.3 -41.3 -15.0 44.9 -14.3 31 33 A I H > S+ 0 0 28 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.908 110.2 48.3 -66.0 -40.0 -15.9 44.5 -18.0 32 34 A L H > S+ 0 0 1 2,-0.2 4,-1.6 1,-0.2 6,-0.3 0.886 110.7 51.9 -70.6 -33.4 -15.5 40.7 -17.8 33 35 A N H X>S+ 0 0 35 -4,-2.0 4,-2.2 2,-0.2 5,-0.5 0.921 111.1 48.4 -60.4 -43.8 -17.6 40.6 -14.6 34 36 A Q H <5S+ 0 0 157 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.888 111.1 49.7 -64.0 -40.5 -20.3 42.6 -16.5 35 37 A L H <5S+ 0 0 95 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.813 122.5 31.2 -69.6 -31.0 -20.2 40.3 -19.5 36 38 A T H <5S- 0 0 28 -4,-1.6 -2,-0.2 2,-0.2 -1,-0.2 0.628 92.8-133.0-102.2 -19.3 -20.5 37.1 -17.4 37 39 A G T <5S+ 0 0 51 -4,-2.2 2,-0.2 1,-0.3 -3,-0.2 0.615 75.0 107.0 67.2 14.1 -22.6 38.2 -14.4 38 40 A R S + b 0 306A 0 -19,-2.7 3,-1.8 -2,-0.7 263,-0.1 -0.368 43.9 149.6 -88.5 65.5 -1.7 35.2 -13.7 45 47 A E G > + 0 0 0 -2,-1.9 3,-2.0 261,-0.6 264,-0.2 0.681 62.9 80.5 -68.1 -14.2 0.5 32.3 -14.5 46 48 A L G 3 S+ 0 0 17 260,-1.0 -1,-0.3 262,-0.3 263,-0.3 0.725 89.7 56.0 -58.6 -21.9 1.6 34.1 -17.7 47 49 A F G < S+ 0 0 95 -3,-1.8 -1,-0.3 -22,-0.1 -2,-0.2 0.387 85.7 114.2 -90.7 1.0 3.9 36.1 -15.3 48 50 A Q S X S- 0 0 6 -3,-2.0 3,-2.3 1,-0.1 261,-0.1 -0.261 86.1 -75.5 -69.1 158.2 5.6 32.9 -14.1 49 51 A K G > S+ 0 0 61 1,-0.3 3,-0.7 2,-0.2 6,-0.4 -0.353 123.0 15.9 -54.6 132.5 9.2 32.1 -14.9 50 52 A T G 3 S- 0 0 14 1,-0.2 -1,-0.3 -3,-0.1 34,-0.1 0.373 127.5 -79.3 75.2 -0.6 9.6 31.0 -18.6 51 53 A G G < S+ 0 0 11 -3,-2.3 258,-2.7 1,-0.2 259,-0.4 0.504 105.8 56.4 95.6 4.8 6.1 32.4 -19.4 52 54 A S B X S-F 308 0B 0 -3,-0.7 3,-1.1 256,-0.2 256,-0.2 -0.981 88.1-100.8-156.0 170.4 3.8 29.7 -18.1 53 55 A F T >> S+ 0 0 13 254,-1.9 3,-2.3 -2,-0.3 4,-0.5 0.594 97.4 94.3 -66.8 -12.3 2.9 27.6 -15.1 54 56 A K H 3> + 0 0 33 1,-0.3 4,-2.3 253,-0.3 -1,-0.2 0.691 66.3 75.1 -60.1 -20.3 4.9 24.7 -16.5 55 57 A I H <> S+ 0 0 0 -3,-1.1 4,-2.6 -6,-0.4 -1,-0.3 0.818 89.3 61.2 -58.6 -28.0 7.9 25.9 -14.4 56 58 A R H <> S+ 0 0 0 -3,-2.3 4,-2.4 2,-0.2 -1,-0.2 0.978 109.9 36.1 -64.2 -56.7 6.1 24.4 -11.4 57 59 A G H X S+ 0 0 0 -4,-0.5 4,-2.5 1,-0.2 -1,-0.2 0.874 117.9 53.5 -63.6 -37.2 6.0 20.8 -12.6 58 60 A A H X S+ 0 0 0 -4,-2.3 4,-2.5 2,-0.2 5,-0.2 0.931 111.0 44.0 -66.7 -46.7 9.4 21.1 -14.2 59 61 A L H X S+ 0 0 1 -4,-2.6 4,-2.5 2,-0.2 5,-0.2 0.926 114.8 50.5 -63.3 -44.6 11.2 22.4 -11.1 60 62 A N H X S+ 0 0 10 -4,-2.4 4,-0.9 -5,-0.3 -2,-0.2 0.922 113.1 45.5 -60.5 -41.3 9.4 19.8 -9.0 61 63 A A H < S+ 0 0 6 -4,-2.5 4,-0.4 2,-0.2 3,-0.3 0.912 113.5 47.9 -67.7 -44.7 10.4 16.9 -11.4 62 64 A V H >X S+ 0 0 2 -4,-2.5 3,-1.1 1,-0.2 4,-0.6 0.920 114.2 47.0 -65.0 -41.8 14.1 18.0 -11.7 63 65 A R H 3< S+ 0 0 67 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.651 102.4 65.3 -74.3 -15.1 14.5 18.4 -8.0 64 66 A S T 3< S+ 0 0 69 -4,-0.9 -1,-0.2 -3,-0.3 -2,-0.2 0.527 93.4 61.0 -82.7 -8.7 12.8 15.0 -7.4 65 67 A L T <4 0 0 65 -3,-1.1 -1,-0.2 -4,-0.4 -2,-0.2 0.781 360.0 360.0 -79.7 -32.7 15.8 13.4 -9.2 66 68 A V < 0 0 140 -4,-0.6 -2,-0.2 3,-0.0 -3,-0.1 0.963 360.0 360.0 -71.0 360.0 18.0 14.8 -6.4 67 ! 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 68 74 A R 0 0 304 0, 0.0 3,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 135.9 26.2 11.1 -10.0 69 75 A K - 0 0 124 1,-0.1 -3,-0.0 24,-0.1 24,-0.0 -0.527 360.0 -80.0 -85.0 156.2 23.9 13.6 -11.6 70 76 A P - 0 0 34 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.210 29.6-134.4 -56.7 146.0 21.6 12.7 -14.6 71 77 A K S S- 0 0 136 70,-0.5 2,-0.3 1,-0.3 71,-0.2 0.833 78.8 -25.6 -68.9 -37.2 23.3 12.7 -18.1 72 78 A A - 0 0 3 69,-0.3 71,-2.4 22,-0.1 2,-0.4 -0.959 54.9-125.3-167.0 156.7 20.4 14.6 -19.6 73 79 A V E -gh 96 143C 0 22,-2.2 24,-2.4 -2,-0.3 2,-0.3 -0.911 29.0-169.4-107.9 147.7 16.7 15.3 -19.3 74 80 A V E +gh 97 144C 0 69,-2.5 71,-3.0 -2,-0.4 2,-0.3 -0.970 14.4 148.9-134.5 146.4 14.3 14.6 -22.2 75 81 A T E -g 98 0C 0 22,-1.6 24,-2.9 -2,-0.3 2,-0.4 -0.959 38.0-119.4-157.3 174.1 10.7 15.5 -23.0 76 82 A H E +g 99 0C 3 -2,-0.3 2,-0.3 22,-0.2 24,-0.2 -0.958 41.2 160.3-116.6 149.1 8.3 16.2 -25.7 77 83 A S - 0 0 2 22,-2.6 27,-0.1 -2,-0.4 -2,-0.1 -0.978 52.6-133.1-164.9 144.4 6.5 19.6 -25.7 78 84 A S S S- 0 0 15 -2,-0.3 30,-0.1 22,-0.2 31,-0.1 0.538 84.3 -79.7 -76.8 -9.0 4.6 22.1 -27.8 79 85 A G S > S+ 0 0 0 25,-0.1 4,-2.5 154,-0.1 5,-0.2 -0.117 116.4 75.1 148.8 -43.6 7.0 24.6 -26.2 80 86 A N H > S+ 0 0 9 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.948 102.7 41.3 -70.1 -47.1 6.0 25.6 -22.6 81 87 A H H > S+ 0 0 1 1,-0.2 4,-3.2 2,-0.2 5,-0.3 0.902 114.7 55.6 -63.8 -37.8 7.1 22.5 -20.8 82 88 A G H > S+ 0 0 0 2,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.925 109.7 44.2 -58.9 -47.8 10.2 22.3 -23.0 83 89 A Q H X S+ 0 0 14 -4,-2.5 4,-2.4 2,-0.2 -1,-0.2 0.917 116.4 47.3 -60.7 -46.4 11.2 25.9 -22.0 84 90 A A H X S+ 0 0 0 -4,-2.3 4,-2.7 1,-0.2 -2,-0.2 0.909 112.9 47.4 -65.5 -44.1 10.5 25.2 -18.3 85 91 A L H X S+ 0 0 0 -4,-3.2 4,-2.7 2,-0.2 5,-0.2 0.906 111.7 50.9 -65.1 -42.2 12.3 21.9 -18.2 86 92 A T H X S+ 0 0 4 -4,-2.3 4,-2.3 -5,-0.3 -2,-0.2 0.933 112.8 46.1 -61.5 -46.1 15.3 23.3 -20.0 87 93 A Y H X S+ 0 0 57 -4,-2.4 4,-1.7 2,-0.2 -2,-0.2 0.940 114.1 47.3 -60.0 -49.5 15.5 26.2 -17.5 88 94 A A H X S+ 0 0 1 -4,-2.7 4,-0.5 1,-0.2 -2,-0.2 0.907 115.0 46.3 -60.2 -43.1 15.0 23.9 -14.5 89 95 A A H ><>S+ 0 0 0 -4,-2.7 5,-2.9 1,-0.2 3,-0.9 0.843 107.1 57.7 -67.9 -38.3 17.7 21.5 -15.7 90 96 A K H ><5S+ 0 0 131 -4,-2.3 3,-1.7 1,-0.3 -1,-0.2 0.859 97.7 61.4 -61.9 -37.4 20.1 24.3 -16.6 91 97 A L H 3<5S+ 0 0 86 -4,-1.7 -1,-0.3 1,-0.3 -2,-0.2 0.780 110.6 41.0 -57.9 -28.3 20.0 25.5 -12.9 92 98 A E T <<5S- 0 0 52 -3,-0.9 -1,-0.3 -4,-0.5 -2,-0.2 0.278 119.4-109.6-102.3 5.9 21.4 22.0 -12.0 93 99 A G T < 5S+ 0 0 66 -3,-1.7 -3,-0.2 1,-0.2 -2,-0.1 0.789 71.9 141.5 67.5 31.1 23.9 21.9 -14.9 94 100 A I < - 0 0 11 -5,-2.9 -1,-0.2 -8,-0.1 -2,-0.2 -0.911 49.6-127.6-107.0 124.0 21.9 19.1 -16.7 95 101 A P - 0 0 71 0, 0.0 -22,-2.2 0, 0.0 2,-0.4 -0.289 23.8-144.9 -64.9 156.6 21.6 19.2 -20.5 96 102 A A E -g 73 0C 6 20,-0.3 22,-2.6 -24,-0.2 2,-0.5 -0.976 14.4-164.6-130.1 138.2 18.1 19.1 -22.1 97 103 A Y E -gi 74 118C 75 -24,-2.4 -22,-1.6 -2,-0.4 2,-0.5 -0.991 14.9-166.3-119.3 120.0 16.8 17.5 -25.2 98 104 A I E -gi 75 119C 0 20,-2.6 22,-2.6 -2,-0.5 2,-0.5 -0.938 11.1-152.2-116.1 118.9 13.3 18.7 -26.2 99 105 A V E +gi 76 120C 0 -24,-2.9 -22,-2.6 -2,-0.5 22,-0.2 -0.780 25.5 179.1 -87.7 121.6 11.2 16.9 -28.8 100 106 A V E - i 0 121C 0 20,-2.4 22,-1.9 -2,-0.5 -22,-0.2 -0.987 31.4-109.6-132.8 129.7 8.9 19.5 -30.4 101 107 A P E > - i 0 122C 12 0, 0.0 3,-2.2 0, 0.0 22,-0.2 -0.281 29.5-121.1 -56.5 142.2 6.3 19.2 -33.2 102 108 A Q T 3 S+ 0 0 105 20,-2.5 21,-0.1 1,-0.3 19,-0.1 0.731 111.2 54.7 -51.5 -28.6 7.3 20.9 -36.5 103 109 A T T 3 S+ 0 0 87 2,-0.0 -1,-0.3 3,-0.0 3,-0.1 0.270 76.3 122.6 -99.9 10.7 4.2 23.0 -36.3 104 110 A A S < S- 0 0 9 -3,-2.2 -25,-0.1 1,-0.1 5,-0.1 -0.375 78.9 -81.3 -62.2 151.3 4.8 24.5 -32.8 105 111 A P >> - 0 0 23 0, 0.0 4,-2.0 0, 0.0 3,-0.6 -0.249 34.2-124.8 -58.0 143.7 5.0 28.4 -32.8 106 112 A D H 3> S+ 0 0 102 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.877 109.4 59.3 -56.7 -40.9 8.3 29.9 -33.9 107 113 A C H 3> S+ 0 0 37 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.876 107.8 46.3 -58.4 -36.6 8.6 31.9 -30.6 108 114 A K H <> S+ 0 0 1 -3,-0.6 4,-1.9 2,-0.2 -1,-0.2 0.902 111.5 50.2 -75.3 -40.1 8.4 28.6 -28.6 109 115 A K H X S+ 0 0 31 -4,-2.0 4,-1.7 1,-0.2 -2,-0.2 0.928 113.7 46.6 -59.1 -46.6 11.0 26.9 -30.8 110 116 A L H X S+ 0 0 111 -4,-2.9 4,-2.7 1,-0.2 -2,-0.2 0.892 108.9 53.5 -66.5 -40.6 13.3 29.8 -30.5 111 117 A A H X S+ 0 0 23 -4,-2.1 4,-1.8 -5,-0.2 -1,-0.2 0.885 105.9 53.5 -63.5 -38.8 12.9 30.1 -26.7 112 118 A I H <>S+ 0 0 0 -4,-1.9 5,-1.7 1,-0.2 -1,-0.2 0.934 112.4 44.9 -60.2 -44.2 13.8 26.5 -26.2 113 119 A Q H ><5S+ 0 0 86 -4,-1.7 3,-1.6 1,-0.2 -2,-0.2 0.890 107.8 58.2 -67.4 -38.8 17.0 27.0 -28.2 114 120 A A H 3<5S+ 0 0 86 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.846 101.8 55.2 -57.3 -37.6 17.7 30.3 -26.3 115 121 A Y T 3<5S- 0 0 59 -4,-1.8 -1,-0.3 -5,-0.1 -2,-0.2 0.463 124.6-106.1 -76.7 -2.5 17.7 28.4 -23.0 116 122 A G T < 5 + 0 0 63 -3,-1.6 -20,-0.3 1,-0.2 -3,-0.2 0.542 69.3 144.0 94.6 9.5 20.4 26.1 -24.5 117 123 A A < - 0 0 13 -5,-1.7 2,-0.7 -22,-0.1 -1,-0.2 -0.350 55.2-116.2 -73.7 158.2 18.4 22.9 -25.2 118 124 A S E -i 97 0C 58 -22,-2.6 -20,-2.6 -2,-0.1 2,-0.3 -0.898 35.4-150.6 -87.3 118.3 18.9 20.6 -28.1 119 125 A I E -i 98 0C 34 -2,-0.7 2,-0.4 -22,-0.2 -20,-0.2 -0.739 13.0-169.8 -95.1 139.5 15.7 20.8 -30.0 120 126 A V E -i 99 0C 37 -22,-2.6 -20,-2.4 -2,-0.3 2,-0.2 -0.961 15.7-141.2-130.9 110.5 14.5 17.8 -32.0 121 127 A Y E -i 100 0C 95 -2,-0.4 2,-0.2 -22,-0.2 -22,-0.1 -0.508 22.8-179.9 -75.2 139.2 11.5 18.3 -34.3 122 128 A C E -i 101 0C 7 -22,-1.9 -20,-2.5 -2,-0.2 7,-0.1 -0.737 37.2 -80.6-123.2 177.5 8.9 15.6 -34.6 123 129 A E - 0 0 135 -2,-0.2 2,-1.8 -22,-0.2 6,-0.2 -0.455 54.1 -97.8 -76.7 152.7 5.8 15.2 -36.6 124 130 A P S S+ 0 0 50 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.531 86.4 91.0 -78.4 81.2 2.6 16.9 -35.2 125 131 A S S > S- 0 0 34 -2,-1.8 4,-2.5 1,-0.1 5,-0.2 -0.963 80.4-115.1-159.0 158.1 0.9 14.0 -33.4 126 132 A D H > S+ 0 0 51 -2,-0.3 4,-2.7 1,-0.2 5,-0.2 0.913 117.5 53.6 -58.3 -43.1 0.8 12.4 -29.9 127 133 A E H > S+ 0 0 147 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.911 110.3 44.8 -60.4 -45.3 2.2 9.3 -31.4 128 134 A S H > S+ 0 0 17 2,-0.2 4,-2.7 1,-0.2 5,-0.4 0.925 113.0 51.0 -67.2 -44.5 5.2 11.1 -32.9 129 135 A R H X S+ 0 0 13 -4,-2.5 4,-2.1 1,-0.2 -2,-0.2 0.943 115.7 41.7 -56.4 -49.4 5.9 13.1 -29.8 130 136 A E H X S+ 0 0 79 -4,-2.7 4,-2.0 2,-0.2 -2,-0.2 0.918 116.9 46.9 -66.6 -44.9 5.9 10.0 -27.6 131 137 A N H X S+ 0 0 99 -4,-2.6 4,-2.2 -5,-0.2 -2,-0.2 0.912 114.2 45.7 -67.8 -42.6 7.8 7.8 -29.9 132 138 A V H X S+ 0 0 22 -4,-2.7 4,-2.9 -5,-0.2 5,-0.2 0.922 111.9 51.9 -67.8 -40.8 10.5 10.3 -30.7 133 139 A A H X S+ 0 0 1 -4,-2.1 4,-2.4 -5,-0.4 -1,-0.2 0.894 109.3 51.7 -60.6 -37.0 10.9 11.2 -27.0 134 140 A K H X S+ 0 0 139 -4,-2.0 4,-2.1 2,-0.2 -2,-0.2 0.941 111.8 45.5 -63.5 -46.4 11.3 7.5 -26.3 135 141 A R H X S+ 0 0 111 -4,-2.2 4,-2.6 1,-0.2 -2,-0.2 0.912 113.6 49.0 -63.4 -45.0 14.1 7.2 -28.9 136 142 A V H X S+ 0 0 5 -4,-2.9 4,-2.4 2,-0.2 6,-0.3 0.887 108.8 53.8 -62.3 -40.1 15.9 10.3 -27.8 137 143 A T H X>S+ 0 0 25 -4,-2.4 5,-1.4 -5,-0.2 4,-1.0 0.939 112.2 44.5 -58.5 -47.0 15.7 9.1 -24.1 138 144 A E H <5S+ 0 0 128 -4,-2.1 3,-0.3 1,-0.2 -2,-0.2 0.918 114.3 48.5 -63.2 -46.2 17.4 5.8 -25.1 139 145 A E H <5S+ 0 0 130 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.872 119.7 37.0 -64.6 -39.2 20.0 7.5 -27.3 140 146 A T H <5S- 0 0 27 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.553 99.5-131.5 -87.7 -10.0 21.0 10.1 -24.7 141 147 A E T <5 + 0 0 134 -4,-1.0 -70,-0.5 -3,-0.3 -69,-0.3 0.857 61.3 147.1 52.4 36.7 20.6 7.7 -21.8 142 148 A G < - 0 0 13 -5,-1.4 2,-0.5 -6,-0.3 -69,-0.2 -0.193 54.8 -98.6 -89.5-176.8 18.7 10.6 -20.3 143 149 A I E -h 73 0C 61 -71,-2.4 -69,-2.5 -3,-0.1 2,-0.4 -0.949 31.3-133.0-109.1 123.8 15.7 10.8 -18.0 144 150 A M E -h 74 0C 51 -2,-0.5 2,-0.5 -71,-0.2 -69,-0.2 -0.621 18.0-171.0 -74.4 126.1 12.2 11.3 -19.5 145 151 A V - 0 0 4 -71,-3.0 -69,-0.2 -2,-0.4 -60,-0.1 -0.866 19.3-144.5-119.0 94.0 10.2 14.0 -17.8 146 152 A H - 0 0 23 -2,-0.5 4,-0.4 1,-0.1 7,-0.1 -0.254 10.5-130.5 -63.5 139.6 6.7 13.7 -19.3 147 153 A P S S- 0 0 6 0, 0.0 -1,-0.1 0, 0.0 -90,-0.1 0.696 94.8 -1.4 -65.2 -19.2 4.8 17.1 -19.8 148 154 A N S S+ 0 0 16 34,-0.1 91,-0.1 32,-0.1 -2,-0.0 0.531 125.5 56.9-148.1 -13.9 1.6 15.9 -18.1 149 155 A Q S S+ 0 0 20 92,-0.1 3,-0.0 89,-0.1 89,-0.0 0.555 75.4 104.3-103.5 -11.3 1.7 12.2 -17.0 150 156 A E >> - 0 0 71 -4,-0.4 4,-2.7 1,-0.1 3,-0.8 -0.595 69.0-139.2 -73.0 121.6 4.7 12.4 -14.7 151 157 A P H 3> S+ 0 0 43 0, 0.0 4,-2.8 0, 0.0 5,-0.2 0.878 102.7 51.8 -49.7 -42.9 3.5 12.4 -11.0 152 158 A A H 3> S+ 0 0 15 1,-0.2 4,-1.6 2,-0.2 -91,-0.1 0.845 112.0 47.8 -64.0 -32.4 6.2 14.9 -9.9 153 159 A V H <> S+ 0 0 0 -3,-0.8 4,-2.5 2,-0.2 5,-0.2 0.953 111.7 48.5 -70.9 -49.3 5.0 17.2 -12.8 154 160 A I H X S+ 0 0 0 -4,-2.7 4,-1.9 1,-0.2 -2,-0.2 0.912 111.4 50.6 -57.0 -46.1 1.3 16.8 -11.9 155 161 A A H X S+ 0 0 2 -4,-2.8 4,-0.7 -5,-0.2 -1,-0.2 0.908 109.5 51.8 -60.9 -39.7 2.0 17.5 -8.2 156 162 A G H >< S+ 0 0 0 -4,-1.6 3,-1.2 -5,-0.2 4,-0.3 0.930 108.9 48.7 -61.4 -46.4 3.9 20.7 -9.2 157 163 A Q H >< S+ 0 0 2 -4,-2.5 3,-1.8 1,-0.3 4,-0.3 0.865 101.7 65.5 -64.1 -33.6 1.1 22.0 -11.4 158 164 A G H >X S+ 0 0 0 -4,-1.9 3,-1.6 1,-0.3 4,-0.8 0.734 80.7 79.3 -59.1 -23.8 -1.4 21.4 -8.5 159 165 A T H S+ 0 0 0 -3,-1.8 4,-2.6 -4,-0.3 -1,-0.3 0.914 94.0 52.0 -52.4 -42.7 -1.5 26.7 -8.4 161 167 A A H <> S+ 0 0 0 -3,-1.6 4,-2.7 -4,-0.3 5,-0.2 0.845 101.7 58.6 -67.7 -35.2 -4.6 25.7 -6.4 162 168 A L H X S+ 0 0 29 -4,-0.8 4,-0.9 1,-0.2 -1,-0.2 0.921 111.9 41.9 -58.8 -41.9 -2.9 26.1 -3.1 163 169 A E H >X S+ 0 0 9 -4,-1.6 4,-2.9 2,-0.2 3,-0.5 0.940 113.2 51.9 -70.2 -47.0 -2.2 29.7 -4.0 164 170 A V H 3X S+ 0 0 0 -4,-2.6 4,-2.6 1,-0.2 -2,-0.2 0.912 107.6 51.9 -57.4 -44.7 -5.6 30.3 -5.5 165 171 A L H 3< S+ 0 0 31 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.797 115.8 42.5 -64.2 -28.3 -7.4 29.1 -2.3 166 172 A N H << S+ 0 0 129 -4,-0.9 -2,-0.2 -3,-0.5 -1,-0.2 0.860 118.1 43.8 -81.3 -40.6 -5.3 31.4 -0.2 167 173 A Q H < S+ 0 0 57 -4,-2.9 -2,-0.2 1,-0.3 -3,-0.2 0.752 125.0 32.6 -77.7 -28.5 -5.5 34.4 -2.5 168 174 A V S >< S+ 0 0 6 -4,-2.6 3,-2.3 -5,-0.3 -1,-0.3 -0.720 72.4 175.3-127.8 73.6 -9.3 34.1 -3.2 169 175 A P T 3 S+ 0 0 98 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.771 78.9 49.2 -62.0 -24.0 -10.6 32.7 0.1 170 176 A L T 3 S+ 0 0 132 -3,-0.1 131,-0.3 2,-0.0 -5,-0.1 0.195 80.5 147.4 -96.4 15.4 -14.2 32.9 -1.0 171 177 A V < - 0 0 2 -3,-2.3 131,-0.2 -7,-0.2 3,-0.1 -0.233 27.9-174.4 -55.2 135.3 -13.6 31.2 -4.4 172 178 A D + 0 0 45 129,-3.2 27,-2.6 1,-0.3 2,-0.3 0.625 66.0 6.5-102.6 -22.0 -16.5 29.0 -5.7 173 179 A A E -cd 199 302A 0 128,-1.5 130,-2.9 25,-0.3 2,-0.4 -0.980 55.2-143.4-160.2 147.0 -14.9 27.5 -8.8 174 180 A L E -cd 200 303A 0 25,-2.6 27,-3.0 -2,-0.3 2,-0.5 -0.958 14.4-154.8-109.4 138.7 -11.6 27.2 -10.6 175 181 A V E -cd 201 304A 0 128,-2.7 130,-2.4 -2,-0.4 27,-0.2 -0.970 17.5-177.1-115.0 125.4 -11.6 27.1 -14.5 176 182 A V E -c 202 0A 0 25,-2.7 27,-2.2 -2,-0.5 2,-0.1 -0.977 25.6-127.7-131.3 122.6 -8.6 25.3 -16.0 177 183 A P E -c 203 0A 4 0, 0.0 2,-0.4 0, 0.0 7,-0.2 -0.480 32.4-146.9 -67.3 142.2 -7.6 24.8 -19.6 178 184 A V + 0 0 1 25,-2.3 33,-0.1 -2,-0.1 60,-0.1 -0.954 40.5 136.7-123.3 130.0 -6.9 21.2 -20.4 179 185 A G S S- 0 0 8 -2,-0.4 55,-0.1 25,-0.1 -1,-0.1 0.288 93.4 -2.0-119.7 -96.4 -4.5 19.4 -22.7 180 186 A G S S- 0 0 8 58,-0.1 59,-1.1 -33,-0.1 62,-0.2 0.659 97.5-121.4 -71.9 -17.8 -2.7 16.4 -21.3 181 187 A G S > S+ 0 0 3 57,-0.2 4,-2.4 -4,-0.1 5,-0.2 0.574 75.2 124.9 89.6 12.2 -4.6 17.1 -18.0 182 188 A G H > S+ 0 0 4 2,-0.2 4,-2.4 3,-0.2 5,-0.2 0.949 82.2 38.4 -66.3 -50.1 -1.5 17.5 -15.7 183 189 A M H > S+ 0 0 12 2,-0.2 4,-2.9 1,-0.2 5,-0.3 0.952 118.0 49.3 -63.8 -47.8 -2.6 20.9 -14.4 184 190 A L H > S+ 0 0 1 -7,-0.2 4,-2.5 1,-0.2 -2,-0.2 0.910 114.5 45.5 -59.2 -42.9 -6.3 19.9 -14.3 185 191 A A H X S+ 0 0 0 -4,-2.4 4,-2.6 2,-0.2 5,-0.2 0.921 113.4 47.9 -69.4 -44.4 -5.5 16.7 -12.4 186 192 A G H X S+ 0 0 0 -4,-2.4 4,-1.8 -5,-0.2 -2,-0.2 0.918 115.0 46.1 -61.8 -43.5 -3.1 18.4 -9.9 187 193 A I H X S+ 0 0 0 -4,-2.9 4,-3.1 -5,-0.2 5,-0.3 0.912 111.8 51.7 -64.5 -41.1 -5.6 21.2 -9.3 188 194 A A H X S+ 0 0 0 -4,-2.5 4,-2.4 -5,-0.3 5,-0.2 0.935 109.5 49.3 -62.8 -45.9 -8.5 18.7 -8.9 189 195 A I H X S+ 0 0 12 -4,-2.6 4,-1.0 1,-0.2 -1,-0.2 0.907 116.3 44.2 -56.1 -43.6 -6.6 16.6 -6.3 190 196 A T H X S+ 0 0 0 -4,-1.8 4,-2.2 -5,-0.2 3,-0.4 0.953 114.9 44.1 -70.9 -53.4 -5.8 19.8 -4.4 191 197 A V H X S+ 0 0 0 -4,-3.1 4,-2.9 1,-0.2 7,-0.2 0.921 114.4 50.1 -60.3 -44.3 -9.2 21.5 -4.4 192 198 A K H < S+ 0 0 36 -4,-2.4 -1,-0.2 -5,-0.3 -2,-0.2 0.728 111.3 49.9 -72.8 -19.9 -11.1 18.3 -3.6 193 199 A A H < S+ 0 0 59 -4,-1.0 -1,-0.2 -3,-0.4 -2,-0.2 0.861 121.7 31.3 -78.4 -39.4 -8.8 17.6 -0.7 194 200 A L H < S- 0 0 90 -4,-2.2 -2,-0.2 1,-0.2 -3,-0.2 0.890 142.4 -5.0 -89.4 -44.7 -9.0 21.1 0.9 195 201 A K >< - 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