REMARK SOURCE hebe.pdb HEADER STRUCTURAL GENOMICS, UNKNOWN FUNCTION 21-DEC-04 1YBX COMPND CONSERVED HYPOTHETICAL PROTEIN; COMPND 3 CHAIN: A, B; COMPND 4 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: CLOSTRIDIUM THERMOCELLUM; SOURCE 3 ORGANISM_TAXID: 1515; SOURCE 4 ATCC: 27405; SOURCE 5 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 6 EXPRESSION_SYSTEM_TAXID: 562 AUTHOR W.TEMPEL,J.CHANG,M.ZHAO,J.HABEL,I.KATAEVA,H.XU,L.CHEN,D.LEE,J.NGUYEN, AUTHOR 2 S.-H.CHANG,P.HORANYI,Q.FLORENCE,W.ZHOU,D.LIN,H.ZHANG,L.LJUNDAHL,Z.- AUTHOR 3 J.LIU,J.ROSE,B.-C.WANG,SOUTHEAST COLLABORATORY FOR STRUCTURAL AUTHOR 4 GENOMICS (SECSG) HET MSE A 23 8 HET MSE A 27 8 HET MSE A 75 8 HET MSE A 94 8 HET MSE B 23 8 HET MSE B 27 16 HET MSE B 75 8 HET MSE B 94 8 HET UNX A 201 1 HET UNX A 202 1 HET UNX A 203 1 HET UNX B 204 1 SITE 1 AC1 3 LYS A 64 PRO A 65 GLU A 66 SITE 1 AC2 3 ALA A 82 GLU A 86 ARG A 89 SITE 1 AC3 1 GLY B 44 >ASN~A 15 -16.77 24.45 88.00 -17.78 26.04 89.02 -17.28 25.24 88.51 2 0 45.96 -999 ? UNK UNX A 202 >LEU~A 16 -14.58 19.26 87.70 -13.25 17.74 86.79 -13.92 18.50 87.25 3 0 41.27 -999 ? UNK UNX A 202 >VAL~A 17 -18.70 18.01 86.69 -20.03 17.01 88.09 -19.37 17.51 87.39 3 0 43.16 -999 ? UNK UNX A 202 >GLN~A 19 -15.65 22.81 82.94 -14.03 23.34 84.26 -14.84 23.07 83.60 2 0 39.65 -999 ? UNK UNX A 202 >ALA~A 20 -17.12 17.10 81.76 -16.85 16.08 82.87 -16.98 16.59 82.32 2 0 37.87 -999 ? UNK UNX A 202 >GLN~A 21 -22.24 16.59 83.34 -23.74 17.28 84.74 -22.99 16.93 84.04 2 0 42.82 -999 ? UNK UNX A 202 >LYS~A 22 -20.56 19.83 78.53 -21.63 23.59 74.79 -21.09 21.71 76.66 2 0 35.10 -999 ? UNK UNX A 202 >MET?A 23 -17.67 17.96 76.91 -13.44 17.65 77.51 -15.56 17.81 77.21 2 0 31.92 -999 ? UNK UNX A 202 >GLN~A 24 -21.25 12.89 77.60 -21.44 11.60 79.26 -21.35 12.24 78.43 2 0 36.58 -999 ? UNK UNX A 202 >ARG~A 25 -25.34 18.95 77.19 -24.03 20.51 79.54 -24.69 19.73 78.37 2 0 39.27 -999 ? UNK UNX A 202 >ASP~A 26 -19.23 19.39 73.03 -19.82 21.32 73.65 -19.53 20.35 73.34 2 0 32.48 -999 ? UNK UNX A 202 >MET?A 27 -18.75 15.21 71.71 -15.79 13.64 70.84 -17.27 14.43 71.28 2 0 26.52 -999 ? UNK UNX A 202 >GLU~A 28 -22.69 12.07 72.94 -24.10 11.55 74.44 -23.40 11.81 73.69 2 0 34.28 -999 ? UNK UNX A 202 >ARG~A 29 -23.97 20.31 68.71 -21.15 21.47 69.04 -22.56 20.89 68.88 2 0 29.94 -999 ? UNK UNX A 202 >VAL~A 30 -19.83 16.68 66.90 -17.97 17.82 67.17 -18.90 17.25 67.04 3 0 25.90 -999 ? UNK UNX A 202 >GLU~A 32 -25.44 13.31 66.14 -27.17 14.27 67.06 -26.30 13.79 66.60 2 0 31.59 -999 ? UNK UNX A 202 >GLU~A 33 -22.67 18.66 64.18 -21.95 20.39 65.15 -22.31 19.53 64.67 2 0 27.61 -999 ? UNK UNX A 202 >LEU~A 34 -18.02 14.15 62.14 -16.18 15.10 62.83 -17.10 14.63 62.49 3 0 21.00 -999 ? UNK UNX A 202 >LYS~A 37 -19.42 17.11 56.89 -19.42 21.22 61.25 -19.42 19.17 59.07 2 0 23.80 -999 ? UNK UNX A 202 >THR^A 38 -17.03 16.50 54.00 -18.51 16.59 52.44 -17.77 16.54 53.22 2 0 17.87 -999 ? UNK UNX A 202 >VAL^A 39 -13.52 17.20 52.73 -12.23 16.25 54.24 -12.87 16.73 53.48 3 0 13.18 -999 ? UNK UNX A 202 >GLU^A 40 -12.93 17.91 46.78 -13.92 19.39 45.64 -13.42 18.65 46.21 2 0 13.96 -999 ? UNK UNX A 203 >ALA^A 41 -8.81 16.25 47.57 -8.05 15.13 48.29 -8.43 15.69 47.93 2 0 7.13 -999 ? UNK UNX A 202 >SER^A 42 -7.64 16.00 44.03 -7.47 18.25 43.22 -7.55 17.13 43.63 2 0 10.10 -999 ? UNK UNX A 202 >ALA^A 43 -4.75 14.70 41.98 -4.46 13.24 42.27 -4.61 13.97 42.13 2 0 6.85 -999 ? UNK UNX A 202 >GLY.A 44 -3.38 15.20 38.47 -3.72 15.80 38.95 -3.55 15.50 38.71 1 0 10.65 -999 ? UNK UNX A 202 >GLY.A 45 -4.11 18.91 38.45 -4.63 18.26 38.49 -4.37 18.58 38.47 1 0 10.99 -999 ? UNK UNX A 201 >GLY.A 46 -7.79 18.32 39.06 -7.40 17.80 38.62 -7.60 18.06 38.84 1 0 9.58 -999 ? UNK UNX A 201 >ALA.A 47 -8.15 15.28 36.77 -7.00 14.56 36.14 -7.57 14.92 36.46 2 0 6.89 -999 ? UNK UNX A 201 >VAL^A 48 -9.30 13.21 39.81 -8.79 11.06 40.04 -9.05 12.14 39.92 3 0 10.19 -999 ? UNK UNX A 201 >THR^A 49 -11.40 14.60 42.69 -12.01 16.70 42.53 -11.71 15.65 42.61 2 0 10.97 -999 ? UNK UNX A 203 >VAL^A 50 -12.42 12.66 45.82 -11.36 10.74 46.33 -11.89 11.70 46.07 3 0 10.33 -999 ? UNK UNX A 202 >VAL^A 51 -15.01 13.81 48.45 -16.64 15.25 48.02 -15.83 14.53 48.24 3 0 14.29 -999 ? UNK UNX A 202 >ALA^A 52 -14.89 12.04 51.84 -13.51 11.56 52.32 -14.20 11.80 52.08 2 0 12.33 -999 ? UNK UNX A 202 >THR^A 53 -17.03 12.59 54.97 -18.64 11.15 54.96 -17.84 11.87 54.96 2 0 18.06 -999 ? UNK UNX A 202 >GLY.A 54 -15.94 13.00 58.56 -16.25 12.36 58.21 -16.09 12.68 58.38 1 0 17.45 -999 ? UNK UNX A 202 >LYS.A 56 -14.28 8.43 56.09 -8.84 7.84 58.72 -11.56 8.13 57.40 2 0 13.06 -999 ? UNK UNX A 202 >ASP.A 57 -18.56 7.35 54.04 -19.72 6.18 52.62 -19.14 6.76 53.33 2 0 19.18 -999 ? UNK UNX A 202 >ILE^A 58 -15.32 7.38 49.17 -14.07 8.16 49.04 -14.70 7.77 49.11 3 0 13.46 -999 ? UNK UNX A 202 >GLU^A 60 -19.74 12.95 45.73 -20.08 14.98 45.30 -19.91 13.97 45.51 2 0 14.76 -999 ? UNK UNX A 203 >ILE^A 61 -14.73 8.99 42.80 -13.64 8.05 43.02 -14.18 8.52 42.91 3 0 13.88 -999 ? UNK UNX A 202 >THR^A 62 -15.07 12.57 39.77 -16.17 14.44 39.58 -15.62 13.51 39.67 2 0 8.42 -999 ? UNK UNX A 203 >ILE^A 63 -12.45 10.05 36.83 -11.82 8.78 37.06 -12.13 9.42 36.94 3 0 8.96 -999 ? UNK UNX A 201 >LYS.A 64 -11.86 13.69 33.91 -9.60 19.59 34.98 -10.73 16.64 34.45 2 0 -6.21 -999 ? UNK UNX A 203s >PRO~A 65 -13.35 13.23 29.76 -11.98 12.14 31.16 -12.66 12.68 30.46 3 0 -3.33 -999 ? UNK UNX A 201s >GLU~A 66 -7.68 14.62 31.37 -7.63 16.67 31.65 -7.65 15.64 31.51 2 0 -3.57 -999 ? UNK UNX A 201s >VAL~A 67 -6.86 10.38 32.35 -6.79 11.51 34.28 -6.82 10.95 33.31 3 0 6.59 -999 ? UNK UNX A 201 >VAL~A 68 -9.15 7.47 31.39 -11.24 7.27 32.03 -10.20 7.37 31.71 3 0 8.15 -999 ? UNK UNX A 201 >ASP.A 69 -5.82 6.21 28.59 -4.90 5.61 26.75 -5.36 5.91 27.67 2 0 11.96 -999 ? UNK UNX A 201 >PRO.A 70 -8.51 1.98 26.75 -7.36 2.38 28.63 -7.94 2.18 27.69 3 0 13.78 -999 ? UNK UNX A 201 >ASP.A 71 -3.37 2.00 26.00 -4.47 0.84 24.60 -3.92 1.42 25.30 2 0 16.88 -999 ? UNK UNX A 201 >ASP~A 72 -1.95 4.96 30.12 -0.44 5.75 31.42 -1.19 5.36 30.77 2 0 14.14 -999 ? UNK UNX A 201 >VAL~A 73 -4.34 2.21 33.55 -5.51 0.39 33.78 -4.92 1.30 33.66 3 0 14.50 -999 ? UNK UNX B 204 >GLU~A 74 0.46 1.08 35.44 -0.39 -0.08 33.85 0.03 0.50 34.64 2 0 18.40 -999 ? UNK UNX B 204 >MET?A 75 -1.89 6.70 35.37 -2.89 9.78 32.43 -2.39 8.24 33.90 2 0 9.85 -999 ? UNK UNX A 201 >LEU~A 76 -6.69 5.92 35.88 -8.56 7.07 36.35 -7.63 6.49 36.11 3 0 11.01 -999 ? UNK UNX A 201 >GLN~A 77 -4.51 1.43 38.60 -3.36 -0.35 38.34 -3.94 0.54 38.47 2 0 15.61 -999 ? UNK UNX B 204 >ASP~A 78 -0.62 6.88 39.78 0.87 5.46 39.41 0.13 6.17 39.60 2 0 11.24 -999 ? UNK UNX A 202 >LEU~A 79 -4.59 9.93 39.22 -3.62 11.45 38.03 -4.10 10.69 38.63 3 0 10.07 -999 ? UNK UNX A 202 >ILE~A 80 -7.77 6.32 41.92 -9.07 6.74 41.72 -8.42 6.53 41.82 3 0 10.63 -999 ? UNK UNX A 202 >LEU~A 81 -3.46 5.39 44.66 -2.75 3.68 45.78 -3.10 4.54 45.22 3 0 7.89 -999 ? UNK UNX A 202 >ALA~A 82 -3.09 9.77 45.66 -2.23 10.60 44.71 -2.66 10.18 45.18 2 0 -3.85 -999 ? UNK UNX A 202s >ALA~A 83 -6.47 11.59 45.80 -7.33 11.97 44.58 -6.90 11.78 45.19 2 0 6.70 -999 ? UNK UNX A 202 >VAL~A 84 -8.19 8.95 47.97 -9.31 7.08 47.74 -8.75 8.02 47.86 3 0 7.84 -999 ? UNK UNX A 202 >ASN~A 85 -3.95 8.28 50.25 -3.94 6.14 50.30 -3.95 7.21 50.27 2 0 6.20 -999 ? UNK UNX A 202 >GLU~A 86 -4.70 15.15 49.72 -3.44 15.79 51.31 -4.07 15.47 50.52 2 0 -5.32 -999 ? UNK UNX A 202s >ALA~A 87 -8.96 12.89 51.11 -10.04 12.41 50.15 -9.50 12.65 50.63 2 0 8.43 -999 ? UNK UNX A 202 >LEU~A 88 -8.29 8.88 53.82 -9.73 7.30 53.24 -9.01 8.09 53.53 3 0 9.53 -999 ? UNK UNX A 202 >ARG~A 89 -2.02 13.06 54.93 -1.17 12.30 52.03 -1.60 12.68 53.48 2 0 -3.76 -999 ? UNK UNX A 202s >LYS~A 90 -7.99 15.60 55.31 -7.26 19.01 50.14 -7.63 17.30 52.72 2 0 9.31 -999 ? UNK UNX A 202 >ALA~A 91 -10.90 13.79 56.97 -11.62 12.54 56.44 -11.26 13.16 56.71 2 0 12.71 -999 ? UNK UNX A 202 >ASP~A 92 -7.27 11.98 59.70 -7.46 9.90 59.45 -7.37 10.94 59.57 2 0 12.54 -999 ? UNK UNX A 202 >GLU~A 93 -6.38 18.42 59.10 -5.58 19.05 57.25 -5.98 18.73 58.17 2 0 12.14 -999 ? UNK UNX A 202 >MET?A 94 -11.02 17.70 60.22 -14.77 17.90 58.14 -12.89 17.80 59.18 2 0 17.37 -999 ? UNK UNX A 202 >VAL~A 95 -11.99 15.23 63.00 -12.61 13.12 63.11 -12.30 14.18 63.06 3 0 18.20 -999 ? UNK UNX A 202 >THR~A 96 -8.93 16.27 65.09 -6.83 15.66 65.11 -7.88 15.97 65.10 2 0 17.91 -999 ? UNK UNX A 202 >ALA~A 97 -9.77 19.95 64.59 -9.91 20.66 63.24 -9.84 20.30 63.92 2 0 19.16 -999 ? UNK UNX A 202 >GLU~A 98 -14.73 19.19 63.55 -15.47 21.14 63.71 -15.10 20.17 63.63 2 0 22.60 -999 ? UNK UNX A 202 >ILE~A 99 -11.68 16.00 68.78 -11.68 14.63 68.95 -11.68 15.31 68.86 3 0 23.02 -999 ? UNK UNX A 202 >SER~A 100 -9.65 20.04 69.65 -7.45 19.58 68.80 -8.55 19.81 69.22 2 0 22.60 -999 ? UNK UNX A 202 >LYS~A 101 -12.32 22.80 69.51 -13.86 23.95 63.57 -13.09 23.38 66.54 2 0 22.95 -999 ? UNK UNX A 202 >ILE~A 102 -15.61 20.19 71.81 -16.33 19.34 70.81 -15.97 19.77 71.31 3 0 28.13 -999 ? UNK UNX A 202 >THR~A 103 -11.49 19.99 74.45 -10.73 18.17 73.52 -11.11 19.08 73.99 2 0 27.45 -999 ? UNK UNX A 202 >ASN~B 12 -6.57 -9.79 95.02 -8.17 -11.16 95.45 -7.37 -10.48 95.24 2 0 52.68 -999 ? UNK UNX A 202 >ASN~B 15 -4.24 -11.59 89.49 -3.49 -13.30 90.53 -3.86 -12.44 90.01 2 0 49.00 -999 ? UNK UNX A 202 >LEU~B 16 -5.14 -6.09 89.29 -6.43 -4.38 88.79 -5.78 -5.23 89.04 3 0 44.20 -999 ? UNK UNX A 202 >VAL~B 17 -0.90 -5.92 87.74 0.82 -5.28 88.96 -0.04 -5.60 88.35 3 0 43.56 -999 ? UNK UNX A 202 >ALA~B 20 -3.08 -4.83 82.98 -3.11 -3.73 84.07 -3.09 -4.28 83.52 2 0 38.88 -999 ? UNK UNX A 202 >GLN~B 21 2.24 -5.16 83.71 3.73 -6.10 84.91 2.98 -5.63 84.31 2 0 40.98 -999 ? UNK UNX A 202 >MET?B 23 -3.39 -5.86 78.06 -6.50 -5.38 76.76 -4.94 -5.62 77.41 2 0 33.42 -999 ? UNK UNX A 202 >GLN~B 24 1.04 -1.45 78.50 2.09 -0.85 80.26 1.57 -1.15 79.38 2 0 34.46 -999 ? UNK UNX A 202 >ARG~B 25 3.41 -8.32 77.08 2.51 -9.93 79.56 2.96 -9.13 78.32 2 0 38.16 -999 ? UNK UNX A 202 >ASP~B 26 -2.19 -7.75 74.03 -1.67 -9.68 74.69 -1.93 -8.72 74.36 2 0 33.87 -999 ? UNK UNX A 202 >MET?B 27 -2.53 -3.50 72.66 -4.98 -1.30 75.56 -3.76 -2.40 74.11 2 0 30.27 -999 ? UNK UNX A 202 >GLU~B 28 3.33 -1.48 71.88 5.14 -1.60 73.02 4.23 -1.54 72.45 2 0 28.82 -999 ? UNK UNX A 202 >ARG~B 29 2.16 -9.14 69.19 -0.84 -9.79 69.60 0.66 -9.46 69.40 2 0 30.18 -999 ? UNK UNX A 202 >VAL~B 30 -1.80 -5.22 67.79 -3.78 -6.08 68.26 -2.79 -5.65 68.02 3 0 26.19 -999 ? UNK UNX A 202 >GLU~B 33 1.11 -7.40 64.61 0.30 -8.98 65.79 0.70 -8.19 65.20 2 0 27.07 -999 ? UNK UNX A 202 >LEU~B 34 -3.64 -2.71 62.85 -5.46 -3.57 63.69 -4.55 -3.14 63.27 3 0 21.16 -999 ? UNK UNX A 202 >LYS~B 37 -2.04 -6.09 57.85 -1.96 -9.88 62.12 -2.00 -7.99 59.99 2 0 25.54 -999 ? UNK UNX A 202 >THR^B 38 -4.28 -5.61 54.80 -2.75 -5.77 53.27 -3.52 -5.69 54.04 2 0 18.12 -999 ? UNK UNX A 202 >VAL^B 39 -7.81 -6.34 53.60 -9.11 -5.35 55.14 -8.46 -5.85 54.37 3 0 19.65 -999 ? UNK UNX A 202 >GLU^B 40 -8.21 -7.25 47.72 -7.25 -8.83 46.79 -7.73 -8.04 47.26 2 0 16.49 -999 ? UNK UNX B 204 >ALA^B 41 -12.29 -5.60 48.26 -13.09 -4.55 49.00 -12.69 -5.08 48.63 2 0 14.43 -999 ? UNK UNX B 204 >SER^B 42 -13.52 -5.77 44.68 -12.61 -7.23 43.02 -13.07 -6.50 43.85 2 0 9.93 -999 ? UNK UNX B 204 >ALA^B 43 -16.24 -4.36 42.37 -16.68 -2.89 42.60 -16.46 -3.63 42.48 2 0 7.32 -999 ? UNK UNX B 204 >GLY.B 44 -17.31 -4.91 38.78 -17.01 -5.46 39.30 -17.16 -5.19 39.04 1 0 -3.50 -999 ? UNK UNX B 204s >GLY.B 45 -16.65 -8.66 38.87 -16.10 -8.10 39.06 -16.38 -8.38 38.97 1 0 5.97 -999 ? UNK UNX B 204 >GLY.B 46 -13.01 -8.26 39.90 -13.38 -7.68 39.48 -13.19 -7.97 39.69 1 0 8.07 -999 ? UNK UNX B 204 >ALA.B 47 -12.49 -5.28 37.57 -13.57 -4.68 36.69 -13.03 -4.98 37.13 2 0 4.90 -999 ? UNK UNX B 204 >VAL^B 48 -11.53 -2.86 40.38 -12.24 -0.76 40.38 -11.89 -1.81 40.38 3 0 8.31 -999 ? UNK UNX B 204 >THR^B 49 -9.64 -4.22 43.44 -9.00 -6.34 43.40 -9.32 -5.28 43.42 2 0 12.39 -999 ? UNK UNX B 204 >VAL^B 50 -8.67 -2.11 46.45 -9.64 -0.15 46.82 -9.15 -1.13 46.63 3 0 14.65 -999 ? UNK UNX B 204 >VAL^B 51 -6.20 -3.12 49.19 -4.54 -4.53 48.85 -5.37 -3.82 49.02 3 0 15.89 -999 ? UNK UNX A 202 >ALA^B 52 -6.29 -1.11 52.44 -7.63 -0.48 52.83 -6.96 -0.80 52.64 2 0 14.16 -999 ? UNK UNX A 202 >THR^B 53 -4.30 -1.50 55.68 -2.70 -0.04 55.64 -3.50 -0.77 55.66 2 0 13.79 -999 ? UNK UNX A 202 >GLY.B 54 -5.61 -1.77 59.20 -5.26 -1.14 58.85 -5.43 -1.46 59.02 1 0 17.64 -999 ? UNK UNX A 202 >LYS.B 56 -7.19 2.64 56.46 -12.73 3.87 59.07 -9.96 3.26 57.77 2 0 17.13 -999 ? UNK UNX A 202 >ASP.B 57 -2.76 3.38 54.63 -1.33 4.47 53.42 -2.05 3.92 54.02 2 0 8.78 -999 ? UNK UNX A 202 >ILE^B 58 -6.00 3.31 49.63 -7.27 2.51 49.65 -6.63 2.91 49.64 3 0 10.06 -999 ? UNK UNX A 202 >ILE^B 61 -6.52 1.43 43.25 -7.51 2.43 43.49 -7.01 1.93 43.37 3 0 12.11 -999 ? UNK UNX A 202 >THR^B 62 -5.87 -2.32 40.46 -4.76 -4.18 40.47 -5.31 -3.25 40.46 2 0 14.40 -999 ? UNK UNX B 204 >ILE^B 63 -8.26 0.10 37.24 -8.83 1.36 37.35 -8.55 0.73 37.29 3 0 10.96 -999 ? UNK UNX B 204 >LYS.B 64 -8.72 -3.77 34.60 -9.70 -9.72 36.62 -9.21 -6.75 35.61 2 0 10.38 -999 ? UNK UNX B 204 >PRO~B 65 -7.19 -3.71 30.51 -8.69 -2.53 31.72 -7.94 -3.12 31.11 3 0 11.29 -999 ? UNK UNX B 204 >GLU~B 66 -12.42 -5.64 32.12 -10.72 -6.91 32.00 -11.57 -6.27 32.06 2 0 8.85 -999 ? UNK UNX B 204 >VAL~B 67 -13.83 -0.94 32.66 -13.96 -1.88 34.65 -13.90 -1.41 33.66 3 0 5.43 -999 ? UNK UNX B 204 >VAL~B 68 -11.66 1.93 31.35 -9.67 2.27 32.21 -10.67 2.10 31.78 3 0 10.45 -999 ? UNK UNX B 204 >ASP.B 69 -14.95 3.31 28.39 -15.71 3.94 26.51 -15.33 3.63 27.45 2 0 12.29 -999 ? UNK UNX B 204 >PRO.B 70 -11.81 7.36 26.59 -13.20 6.99 28.34 -12.51 7.18 27.47 3 0 8.91 -999 ? UNK UNX A 201 >ASP.B 71 -17.26 7.12 25.68 -16.04 7.80 24.06 -16.65 7.46 24.87 2 0 11.24 -999 ? UNK UNX A 201 >ASP~B 72 -18.63 4.81 30.06 -20.22 4.26 31.41 -19.42 4.53 30.73 2 0 9.42 -999 ? UNK UNX B 204 >VAL~B 73 -16.22 7.73 33.24 -15.69 9.88 32.98 -15.96 8.81 33.11 3 0 8.72 -999 ? UNK UNX A 203 >GLU~B 74 -21.17 8.81 34.95 -20.24 9.89 33.34 -20.70 9.35 34.14 2 0 9.53 -999 ? UNK UNX A 203 >MET?B 75 -18.66 3.30 35.29 -17.67 0.07 32.64 -18.16 1.69 33.97 2 0 5.02 -999 ? UNK UNX B 204 >LEU~B 76 -13.97 4.35 35.98 -11.91 3.53 36.10 -12.94 3.94 36.04 3 0 9.57 -999 ? UNK UNX B 204 >GLN~B 77 -16.29 8.72 38.24 -17.45 10.43 37.65 -16.87 9.57 37.95 2 0 9.48 -999 ? UNK UNX A 203 >ASP~B 78 -20.15 3.55 39.65 -21.64 5.04 39.27 -20.89 4.29 39.46 2 0 10.32 -999 ? UNK UNX B 204 >LEU~B 79 -16.16 0.16 39.59 -17.24 -1.17 38.25 -16.70 -0.51 38.92 3 0 5.10 -999 ? UNK UNX B 204 >ILE~B 80 -13.08 3.93 41.99 -11.99 4.48 41.51 -12.54 4.20 41.75 3 0 11.78 -999 ? UNK UNX B 204 >LEU~B 81 -17.52 5.28 44.76 -19.27 5.88 45.95 -18.39 5.58 45.36 3 0 13.70 -999 ? UNK UNX B 204 >ALA~B 82 -17.90 0.90 45.88 -18.72 0.02 44.98 -18.31 0.46 45.43 2 0 10.26 -999 ? UNK UNX B 204 >ALA~B 83 -14.58 -0.95 46.09 -13.65 -1.16 44.92 -14.12 -1.06 45.51 2 0 10.83 -999 ? UNK UNX B 204 >VAL~B 84 -12.95 1.72 48.26 -11.81 3.56 47.95 -12.38 2.64 48.11 3 0 13.88 -999 ? UNK UNX A 202 >ASN~B 85 -17.32 2.52 50.32 -17.41 4.65 50.32 -17.36 3.58 50.32 2 0 17.13 -999 ? UNK UNX B 204 >GLU~B 86 -16.51 -4.32 50.38 -18.00 -4.86 51.81 -17.25 -4.59 51.10 2 0 16.29 -999 ? UNK UNX B 204 >ALA~B 87 -12.27 -2.00 51.65 -11.23 -1.44 50.75 -11.75 -1.72 51.20 2 0 16.30 -999 ? UNK UNX A 202 >LEU~B 88 -12.98 2.16 54.07 -11.59 3.80 53.52 -12.29 2.98 53.80 3 0 14.63 -999 ? UNK UNX A 202 >ARG~B 89 -19.23 -0.57 54.91 -19.83 -0.48 51.86 -19.53 -0.52 53.39 2 0 16.76 -999 ? UNK UNX B 204 >LYS~B 90 -13.39 -4.48 55.94 -13.80 -8.60 51.12 -13.59 -6.54 53.53 2 0 16.85 -999 ? UNK UNX B 204 >ALA~B 91 -10.52 -2.53 57.50 -9.90 -1.24 56.97 -10.21 -1.88 57.24 2 0 17.46 -999 ? UNK UNX A 202 >ASP~B 92 -14.16 -0.67 60.29 -13.84 1.40 60.03 -14.00 0.37 60.16 2 0 19.62 -999 ? UNK UNX A 202 >MET?B 94 -10.39 -6.40 60.98 -6.60 -6.61 58.94 -8.49 -6.50 59.96 2 0 21.62 -999 ? UNK UNX A 202 >VAL~B 95 -9.50 -3.89 63.69 -8.93 -1.75 63.75 -9.22 -2.82 63.72 3 0 22.34 -999 ? UNK UNX A 202 >THR~B 96 -12.59 -4.99 65.68 -14.73 -4.57 65.68 -13.66 -4.78 65.68 2 0 26.99 -999 ? UNK UNX A 202 >ALA~B 97 -11.67 -8.66 65.18 -11.53 -9.32 63.77 -11.60 -8.99 64.47 2 0 27.76 -999 ? UNK UNX A 202 >GLU~B 98 -6.64 -7.96 64.17 -6.11 -9.99 64.28 -6.38 -8.97 64.22 2 0 27.19 -999 ? UNK UNX A 202 >ILE~B 99 -9.83 -4.89 69.48 -9.93 -3.51 69.84 -9.88 -4.20 69.66 3 0 27.73 -999 ? UNK UNX A 202 >SER~B 100 -11.70 -9.00 70.31 -13.73 -8.53 69.07 -12.72 -8.77 69.69 2 0 31.25 -999 ? UNK UNX A 202 >LYS~B 101 -8.85 -11.51 70.23 -7.86 -13.00 64.20 -8.36 -12.25 67.22 2 0 29.90 -999 ? UNK UNX A 202 >ILE~B 102 -5.88 -8.56 72.65 -5.22 -7.58 72.03 -5.55 -8.07 72.34 3 0 31.25 -999 ? UNK UNX A 202 >THR.B 103 -10.05 -8.92 75.20 -10.75 -7.14 74.14 -10.40 -8.03 74.67 2 0 33.10 -999 ? UNK UNX A 202