==== 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 OXIDOREDUCTASE 19-MAY-04 1TB4 . COMPND 2 MOLECULE: ASPARTATE-SEMIALDEHYDE DEHYDROGENASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HAEMOPHILUS INFLUENZAE; . AUTHOR R.E.VIOLA . 357 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17158.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 257 72.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 40 11.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 33 9.2 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.3 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 . 1 0.3 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 . 21 5.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 39 10.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 110 30.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 9 2.5 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 2 0 1 0 0 1 1 1 2 2 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 1 1 5 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 PARALLEL BRIDGES PER LADDER . 1 1 0 0 1 0 0 1 1 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 0 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 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 M 0 0 170 0, 0.0 29,-0.2 0, 0.0 357,-0.1 0.000 360.0 360.0 360.0 149.6 -14.4 9.6 -10.0 2 2 A K - 0 0 92 27,-0.5 29,-3.2 355,-0.2 2,-0.7 -0.345 360.0-129.4 -67.6 145.1 -15.6 13.1 -11.0 3 3 A N E -a 31 0A 59 27,-0.2 52,-2.3 50,-0.1 53,-1.8 -0.884 31.9-173.1 -98.9 112.0 -15.1 15.9 -8.5 4 4 A V E -ab 32 56A 0 27,-2.5 29,-2.4 -2,-0.7 2,-0.3 -0.930 11.8-155.9-115.7 123.4 -18.4 17.7 -8.2 5 5 A G E -ab 33 57A 0 51,-2.6 53,-2.7 -2,-0.5 2,-0.4 -0.748 9.3-152.2 -96.0 143.1 -19.1 20.9 -6.2 6 6 A F E -ab 34 58A 1 27,-3.0 29,-2.4 -2,-0.3 2,-0.4 -0.954 12.6-178.4-119.3 132.2 -22.5 21.8 -4.9 7 7 A I E + b 0 59A 2 51,-2.5 53,-2.5 -2,-0.4 54,-0.3 -0.971 69.7 14.6-126.9 142.0 -23.9 25.3 -4.3 8 8 A G S > S+ 0 0 9 -2,-0.4 3,-0.9 27,-0.2 6,-0.5 0.756 76.0 141.2 68.9 24.4 -27.3 26.2 -2.9 9 9 A W T 3 + 0 0 64 26,-0.3 9,-0.2 1,-0.2 -1,-0.1 0.557 65.7 57.4 -74.9 -8.3 -27.9 22.7 -1.8 10 10 A R T 3 S+ 0 0 185 4,-0.1 -1,-0.2 5,-0.1 -2,-0.0 0.535 87.6 92.0 -98.5 -9.1 -29.5 23.9 1.4 11 11 A G S <> S- 0 0 40 -3,-0.9 4,-2.2 1,-0.1 5,-0.1 -0.002 97.4 -92.5 -70.7-172.8 -32.3 25.9 -0.3 12 12 A M H > S+ 0 0 55 2,-0.2 4,-1.7 1,-0.2 5,-0.2 0.968 127.6 38.8 -69.5 -51.7 -35.6 24.4 -1.1 13 13 A V H > S+ 0 0 35 1,-0.2 4,-2.1 2,-0.2 3,-0.3 0.942 116.8 52.4 -62.8 -46.3 -34.7 23.2 -4.6 14 14 A G H > S+ 0 0 0 -6,-0.5 4,-2.8 46,-0.3 -1,-0.2 0.902 107.7 52.2 -55.0 -43.7 -31.3 22.3 -3.4 15 15 A S H X S+ 0 0 45 -4,-2.2 4,-2.3 2,-0.2 -1,-0.2 0.833 106.6 51.8 -63.8 -35.4 -32.8 20.2 -0.6 16 16 A V H X S+ 0 0 16 -4,-1.7 4,-2.9 -3,-0.3 -1,-0.2 0.917 111.7 49.0 -67.7 -39.4 -35.1 18.3 -3.0 17 17 A L H X S+ 0 0 1 -4,-2.1 4,-3.0 2,-0.2 5,-0.2 0.951 110.4 49.0 -62.6 -51.1 -32.0 17.5 -5.1 18 18 A M H X S+ 0 0 23 -4,-2.8 4,-2.0 -9,-0.2 -1,-0.2 0.928 114.1 47.5 -55.5 -45.4 -29.9 16.3 -2.1 19 19 A D H X S+ 0 0 95 -4,-2.3 4,-2.6 2,-0.2 -2,-0.2 0.939 113.3 45.8 -61.5 -50.8 -32.9 14.1 -1.0 20 20 A R H X S+ 0 0 24 -4,-2.9 4,-1.7 1,-0.2 -1,-0.2 0.895 112.1 52.7 -60.7 -40.1 -33.5 12.6 -4.4 21 21 A M H <>S+ 0 0 0 -4,-3.0 5,-2.7 -5,-0.2 6,-0.5 0.883 110.3 47.5 -63.8 -38.3 -29.7 12.0 -4.9 22 22 A S H ><5S+ 0 0 69 -4,-2.0 3,-1.9 -5,-0.2 -2,-0.2 0.952 109.0 54.2 -65.8 -49.6 -29.6 10.2 -1.6 23 23 A Q H 3<5S+ 0 0 121 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.814 115.6 39.0 -52.0 -37.0 -32.6 8.1 -2.4 24 24 A E T 3<5S- 0 0 82 -4,-1.7 -1,-0.3 -5,-0.2 -2,-0.2 0.312 109.3-122.6 -98.4 6.7 -30.9 7.0 -5.7 25 25 A N T X 5 + 0 0 80 -3,-1.9 3,-1.1 -4,-0.2 4,-0.3 0.848 56.1 154.4 53.4 40.6 -27.5 6.6 -4.1 26 26 A D G > < + 0 0 8 -5,-2.7 3,-1.2 1,-0.2 -4,-0.1 0.758 61.3 68.5 -68.2 -24.9 -26.0 9.1 -6.6 27 27 A F G > S+ 0 0 53 -6,-0.5 3,-1.1 1,-0.2 -1,-0.2 0.701 83.2 72.7 -69.5 -18.4 -23.2 10.0 -4.2 28 28 A E G < S+ 0 0 130 -3,-1.1 -1,-0.2 1,-0.2 -2,-0.2 0.742 98.8 47.4 -66.7 -24.2 -21.6 6.6 -4.6 29 29 A N G < S+ 0 0 91 -3,-1.2 -27,-0.5 -4,-0.3 2,-0.3 0.230 112.5 43.1-103.9 13.3 -20.4 7.5 -8.1 30 30 A L S < S- 0 0 7 -3,-1.1 -27,-0.2 -29,-0.2 327,-0.0 -0.980 74.9-115.5-153.2 162.5 -18.9 10.9 -7.5 31 31 A N E -a 3 0A 75 -29,-3.2 -27,-2.5 -2,-0.3 2,-0.2 -0.874 38.2-152.2-105.1 101.1 -16.7 12.9 -5.2 32 32 A P E -a 4 0A 43 0, 0.0 2,-0.4 0, 0.0 -27,-0.2 -0.451 13.9-171.2 -77.6 142.5 -18.9 15.7 -3.7 33 33 A V E -a 5 0A 25 -29,-2.4 -27,-3.0 -2,-0.2 2,-0.4 -0.986 14.4-149.4-133.1 117.2 -17.6 19.1 -2.5 34 34 A F E -a 6 0A 60 -2,-0.4 9,-1.2 -29,-0.2 2,-0.2 -0.766 12.8-168.3 -97.1 135.3 -20.0 21.3 -0.6 35 35 A F E -f 43 0B 3 -29,-2.4 2,-0.3 -2,-0.4 -26,-0.3 -0.717 3.2-167.9-114.2 166.3 -19.8 25.1 -0.7 36 36 A T E -f 44 0B 30 7,-1.8 9,-2.7 -2,-0.2 10,-0.4 -0.975 26.5-146.4-150.4 156.8 -21.5 27.9 1.2 37 37 A T S S+ 0 0 61 -2,-0.3 7,-0.1 7,-0.2 -1,-0.1 0.520 73.1 104.8 -98.7 -13.4 -21.9 31.7 1.0 38 38 A S - 0 0 64 1,-0.1 -2,-0.1 2,-0.0 7,-0.1 -0.251 60.5-154.2 -68.6 155.7 -21.8 32.0 4.8 39 39 A Q 0 0 198 5,-0.1 -1,-0.1 -2,-0.0 5,-0.0 -0.013 360.0 360.0-116.5 23.8 -18.8 33.3 6.7 40 40 A A 0 0 133 0, 0.0 -2,-0.0 0, 0.0 0, 0.0 -0.435 360.0 360.0 -71.1 360.0 -19.8 31.3 9.8 41 ! 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 42 54 A L 0 0 131 0, 0.0 -7,-0.2 0, 0.0 -6,-0.1 0.000 360.0 360.0 360.0 164.8 -16.9 23.7 3.7 43 55 A K E -f 35 0B 87 -9,-1.2 -7,-1.8 1,-0.1 2,-0.4 -0.192 360.0 -99.5 -73.0 164.7 -15.5 25.9 0.9 44 56 A S E > -f 36 0B 51 -9,-0.2 3,-1.9 1,-0.1 -7,-0.2 -0.721 19.2-141.3 -86.4 130.6 -16.6 29.4 -0.0 45 57 A A T 3 S+ 0 0 0 -9,-2.7 -8,-0.1 -2,-0.4 -1,-0.1 0.609 103.2 57.2 -66.3 -10.6 -18.9 29.6 -3.0 46 58 A F T 3 S+ 0 0 89 -10,-0.4 2,-1.2 1,-0.1 -1,-0.3 0.332 76.4 105.2-102.1 5.0 -17.1 32.7 -4.1 47 59 A D X> - 0 0 69 -3,-1.9 4,-2.2 1,-0.2 3,-0.7 -0.696 47.9-174.3 -91.0 89.9 -13.6 31.1 -4.2 48 60 A I H 3> S+ 0 0 30 -2,-1.2 4,-2.7 1,-0.3 -1,-0.2 0.833 82.0 54.9 -51.2 -41.1 -12.9 30.8 -7.9 49 61 A E H 3> S+ 0 0 111 2,-0.2 4,-0.7 1,-0.2 -1,-0.3 0.867 109.2 47.6 -64.7 -36.1 -9.7 28.9 -7.4 50 62 A E H X4 S+ 0 0 45 -3,-0.7 3,-0.7 2,-0.2 4,-0.3 0.909 115.4 44.8 -69.0 -42.6 -11.5 26.3 -5.3 51 63 A L H >< S+ 0 0 0 -4,-2.2 3,-1.8 1,-0.2 -2,-0.2 0.855 103.6 66.1 -68.0 -35.2 -14.2 26.0 -7.9 52 64 A K H 3< S+ 0 0 77 -4,-2.7 -1,-0.2 1,-0.3 27,-0.2 0.743 93.7 60.3 -58.9 -26.2 -11.6 25.9 -10.6 53 65 A K T << S+ 0 0 134 -3,-0.7 -1,-0.3 -4,-0.7 -2,-0.2 0.623 88.4 95.8 -78.5 -13.9 -10.4 22.5 -9.3 54 66 A L < - 0 0 12 -3,-1.8 -50,-0.2 -4,-0.3 26,-0.1 -0.456 63.8-150.3 -81.6 150.2 -13.8 20.8 -9.8 55 67 A D S S+ 0 0 60 -52,-2.3 26,-2.3 1,-0.3 2,-0.3 0.778 86.1 17.2 -84.7 -32.1 -14.8 18.8 -12.9 56 68 A I E -bc 4 81A 2 -53,-1.8 -51,-2.6 24,-0.2 2,-0.4 -0.995 63.0-156.5-143.3 146.1 -18.5 19.7 -12.5 57 69 A I E -bc 5 82A 0 24,-2.2 26,-4.0 -2,-0.3 2,-0.5 -0.992 6.1-168.3-126.8 126.2 -20.4 22.4 -10.7 58 70 A V E -bc 6 83A 1 -53,-2.7 -51,-2.5 -2,-0.4 2,-0.4 -0.965 12.3-172.7-115.9 114.9 -24.1 22.0 -9.7 59 71 A T E +bc 7 84A 0 24,-2.9 26,-1.8 -2,-0.5 27,-0.4 -0.933 32.7 157.6-115.8 132.8 -25.8 25.2 -8.5 60 72 A C + 0 0 23 -53,-2.5 -46,-0.3 -2,-0.4 -52,-0.2 0.045 58.8 103.7-126.3 13.5 -29.3 25.7 -7.1 61 73 A Q S S- 0 0 77 -54,-0.3 2,-0.2 1,-0.2 3,-0.1 0.912 83.6-103.0 -65.0 -48.4 -28.1 28.9 -5.5 62 74 A G > - 0 0 25 1,-0.1 4,-2.7 2,-0.1 -1,-0.2 -0.625 26.4 -74.6 138.8 162.6 -29.7 31.3 -7.9 63 75 A G H > S+ 0 0 20 1,-0.2 4,-3.4 2,-0.2 5,-0.3 0.845 122.6 54.7 -58.0 -41.0 -29.3 33.7 -10.9 64 76 A D H > S+ 0 0 144 2,-0.2 4,-1.4 1,-0.2 -1,-0.2 0.930 111.0 46.7 -61.1 -44.2 -27.6 36.4 -9.0 65 77 A Y H > S+ 0 0 12 2,-0.2 4,-2.7 1,-0.2 3,-0.5 0.970 115.1 47.0 -59.9 -52.8 -25.0 33.9 -7.8 66 78 A T H X S+ 0 0 0 -4,-2.7 4,-2.2 1,-0.2 -2,-0.2 0.940 110.3 50.0 -54.2 -54.8 -24.6 32.5 -11.4 67 79 A N H < S+ 0 0 98 -4,-3.4 -1,-0.2 1,-0.2 -2,-0.2 0.776 117.9 43.5 -58.6 -25.4 -24.3 35.9 -13.1 68 80 A E H X S+ 0 0 95 -4,-1.4 4,-0.7 -3,-0.5 -2,-0.2 0.969 125.6 24.8 -81.7 -64.8 -21.7 36.9 -10.5 69 81 A V H X S+ 0 0 2 -4,-2.7 4,-2.5 -5,-0.2 3,-0.2 0.849 110.6 67.6 -70.8 -41.1 -19.5 33.8 -10.3 70 82 A Y H X S+ 0 0 22 -4,-2.2 4,-2.2 -5,-0.5 5,-0.3 0.918 101.2 45.5 -50.0 -56.2 -20.0 32.1 -13.7 71 83 A P H > S+ 0 0 70 0, 0.0 4,-0.8 0, 0.0 -1,-0.2 0.854 113.8 51.2 -59.7 -34.0 -18.3 34.7 -15.9 72 84 A K H X S+ 0 0 115 -4,-0.7 4,-0.5 -3,-0.2 3,-0.4 0.971 110.9 46.4 -66.6 -53.8 -15.4 34.9 -13.5 73 85 A L H ><>S+ 0 0 0 -4,-2.5 3,-1.7 1,-0.3 5,-1.1 0.919 113.5 46.0 -56.0 -51.9 -14.7 31.2 -13.4 74 86 A K H ><5S+ 0 0 61 -4,-2.2 3,-1.1 1,-0.3 -1,-0.3 0.751 105.1 65.5 -66.2 -18.6 -14.9 30.5 -17.1 75 87 A A H 3<5S+ 0 0 81 -4,-0.8 -1,-0.3 -3,-0.4 -2,-0.2 0.660 92.2 61.7 -75.1 -16.2 -12.7 33.6 -17.5 76 88 A T T <<5S- 0 0 49 -3,-1.7 -1,-0.2 -4,-0.5 -2,-0.2 0.491 124.5-101.9 -87.4 -3.0 -9.9 31.7 -15.8 77 89 A G T < 5 + 0 0 60 -3,-1.1 -3,-0.2 1,-0.3 -2,-0.1 0.348 60.4 170.8 99.3 -6.2 -9.9 29.1 -18.6 78 90 A W < - 0 0 13 -5,-1.1 -1,-0.3 1,-0.2 -25,-0.1 -0.118 17.9-166.2 -41.4 122.8 -11.9 26.6 -16.5 79 91 A D + 0 0 124 -27,-0.2 -1,-0.2 -3,-0.1 -5,-0.1 0.107 47.4 109.6-104.6 20.8 -12.8 23.7 -18.8 80 92 A G S S- 0 0 9 -26,-0.1 2,-0.3 1,-0.1 -24,-0.2 -0.170 70.6 -86.4 -91.0-175.8 -15.4 22.0 -16.6 81 93 A Y E -c 56 0A 58 -26,-2.3 -24,-2.2 36,-0.1 2,-0.5 -0.705 25.7-156.6 -95.7 142.9 -19.2 21.6 -16.6 82 94 A W E -cd 57 117A 0 34,-2.5 36,-2.8 -2,-0.3 2,-0.6 -0.976 8.3-173.1-119.4 115.8 -21.7 24.0 -15.1 83 95 A V E +cd 58 118A 0 -26,-4.0 -24,-2.9 -2,-0.5 2,-0.3 -0.964 14.8 179.7-110.9 117.3 -25.1 22.5 -14.2 84 96 A D E -cd 59 119A 0 34,-2.2 36,-2.0 -2,-0.6 -24,-0.2 -0.916 32.4-168.5-124.8 144.6 -27.5 25.2 -13.1 85 97 A A + 0 0 21 -26,-1.8 -25,-0.1 -2,-0.3 -1,-0.1 0.726 68.4 93.5 -96.7 -29.4 -31.1 25.2 -12.0 86 98 A A S S- 0 0 16 -27,-0.4 3,-0.4 1,-0.1 4,-0.2 -0.149 79.8-126.8 -62.2 158.4 -31.5 29.0 -12.3 87 99 A S S > S+ 0 0 58 1,-0.2 3,-1.3 2,-0.1 4,-0.5 0.691 82.3 101.4 -81.0 -19.8 -32.8 30.6 -15.5 88 100 A A T 3 S+ 0 0 29 1,-0.3 3,-0.3 2,-0.1 -1,-0.2 0.781 92.2 27.2 -32.4 -53.4 -29.9 32.9 -16.0 89 101 A L T > S+ 0 0 7 -3,-0.4 3,-1.8 1,-0.2 -1,-0.3 0.562 86.8 104.5 -96.9 -6.9 -28.1 30.9 -18.7 90 102 A R T < S+ 0 0 22 -3,-1.3 -1,-0.2 1,-0.3 -2,-0.1 0.808 85.2 47.2 -40.9 -42.5 -31.0 29.0 -20.3 91 103 A M T 3 S+ 0 0 85 -4,-0.5 2,-0.3 -3,-0.3 -1,-0.3 -0.155 84.8 118.4 -99.6 40.6 -30.9 31.3 -23.4 92 104 A K X - 0 0 101 -3,-1.8 3,-1.2 1,-0.1 -3,-0.0 -0.791 66.6-131.1-102.3 148.5 -27.2 31.3 -24.0 93 105 A D T 3 S+ 0 0 169 -2,-0.3 -1,-0.1 1,-0.3 -3,-0.0 0.799 109.4 48.8 -68.2 -29.9 -25.8 29.9 -27.3 94 106 A D T 3 S+ 0 0 76 -5,-0.1 23,-0.7 21,-0.0 22,-0.6 0.260 104.2 81.3 -93.6 12.0 -23.2 27.8 -25.5 95 107 A A E < -e 117 0A 4 -3,-1.2 2,-0.4 -6,-0.1 23,-0.2 -0.823 61.1-154.9-118.2 157.3 -25.9 26.4 -23.1 96 108 A I E -e 118 0A 20 21,-1.7 23,-3.1 -2,-0.3 2,-0.7 -0.988 17.0-131.7-131.7 139.2 -28.4 23.7 -23.4 97 109 A I E -e 119 0A 1 -2,-0.4 2,-0.3 143,-0.2 23,-0.2 -0.824 31.8-142.2 -91.8 116.1 -31.7 23.3 -21.6 98 110 A V E +e 120 0A 2 21,-1.8 23,-0.7 -2,-0.7 254,-0.1 -0.636 47.2 139.8 -90.4 136.9 -31.9 19.7 -20.2 99 111 A L >> - 0 0 1 -2,-0.3 3,-3.5 142,-0.1 4,-2.0 -0.372 28.1-174.5-162.9 60.4 -35.0 17.4 -20.0 100 112 A D H 3> S+ 0 0 19 1,-0.3 4,-0.9 2,-0.3 5,-0.1 0.647 77.9 60.3 -40.3 -33.3 -33.3 14.1 -21.1 101 113 A P H 34 S+ 0 0 26 0, 0.0 -1,-0.3 0, 0.0 -3,-0.0 0.830 122.0 29.1 -69.7 -21.1 -36.4 12.0 -21.2 102 114 A V H <4 S+ 0 0 26 -3,-3.5 -2,-0.3 1,-0.1 3,-0.2 0.874 136.2 21.5 -98.5 -50.6 -37.5 14.5 -23.8 103 115 A N H X + 0 0 7 -4,-2.0 4,-2.0 1,-0.2 3,-0.4 -0.240 68.7 134.7-118.4 46.9 -34.4 15.8 -25.5 104 116 A Q H X S+ 0 0 58 -4,-0.9 4,-3.1 1,-0.2 5,-0.2 0.936 76.2 56.8 -57.9 -44.8 -31.7 13.2 -24.9 105 117 A H H > S+ 0 0 142 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.853 107.7 48.2 -55.3 -35.9 -30.6 13.5 -28.6 106 118 A V H > S+ 0 0 40 -3,-0.4 4,-1.6 2,-0.2 -1,-0.2 0.887 112.6 49.2 -71.0 -38.9 -30.1 17.2 -28.1 107 119 A I H X S+ 0 0 0 -4,-2.0 4,-2.3 2,-0.2 -2,-0.2 0.941 111.5 47.5 -65.5 -49.6 -28.1 16.6 -25.0 108 120 A S H X S+ 0 0 45 -4,-3.1 4,-2.2 1,-0.2 5,-0.2 0.953 112.9 47.6 -57.3 -54.3 -25.8 13.9 -26.5 109 121 A E H X S+ 0 0 94 -4,-1.9 4,-2.5 -5,-0.2 -1,-0.2 0.844 111.1 53.7 -56.7 -35.2 -25.0 16.0 -29.6 110 122 A G H X>S+ 0 0 6 -4,-1.6 5,-3.2 2,-0.2 4,-0.8 0.908 105.9 51.1 -67.2 -42.1 -24.3 18.9 -27.4 111 123 A L H <5S+ 0 0 48 -4,-2.3 3,-0.4 3,-0.2 -2,-0.2 0.906 113.7 45.4 -60.9 -41.4 -21.8 17.0 -25.3 112 124 A K H <5S+ 0 0 150 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.894 107.2 56.7 -68.9 -40.0 -20.1 15.9 -28.5 113 125 A K H <5S- 0 0 160 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.2 0.695 124.8-109.7 -64.1 -16.3 -20.2 19.5 -29.9 114 126 A G T <5 + 0 0 40 -4,-0.8 -3,-0.2 -3,-0.4 -2,-0.1 0.649 56.4 168.0 96.7 17.2 -18.4 20.3 -26.6 115 127 A I < - 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