REMARK SOURCE hebe.pdb HEADER STRUCTURAL GENOMICS, UNKNOWN FUNCTION 24-APR-07 2YX6 COMPND HYPOTHETICAL PROTEIN PH0822; COMPND 3 CHAIN: A, B, C, D; COMPND 4 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: PYROCOCCUS HORIKOSHII; SOURCE 3 ORGANISM_TAXID: 70601; SOURCE 4 STRAIN: OT3; SOURCE 5 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 6 EXPRESSION_SYSTEM_TAXID: 562; SOURCE 7 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID; SOURCE 8 EXPRESSION_SYSTEM_PLASMID: PET11A AUTHOR T.HOSAKA,K.MURAYAMA,T.TERADA,M.SHIROUZU,S.YOKOYAMA,RIKEN STRUCTURAL AUTHOR 2 GENOMICS/PROTEOMICS INITIATIVE (RSGI) HET ADP C1001 27 SITE 1 AC1 13 ARG B 74 ILE B 77 VAL B 87 THR B 89 >MET.A 1 -3.11 10.06 1.84 -1.61 7.96 3.68 -2.36 9.01 2.76 2 0 39.26 -999 ? N6 ADP C1001 >ARG^A 2 -10.05 8.79 1.44 -11.10 11.55 0.50 -10.57 10.17 0.97 2 0 31.43 -999 ? N6 ADP C1001 >VAL^A 3 -6.45 4.91 4.30 -4.70 4.31 5.42 -5.57 4.61 4.86 3 0 38.03 -999 ? N6 ADP C1001 >ALA^A 4 -9.47 2.58 4.42 -9.97 2.04 3.08 -9.72 2.31 3.75 2 0 37.50 -999 ? N6 ADP C1001 >ILE^A 5 -9.49 0.67 8.66 -8.77 1.05 9.12 -9.13 0.86 8.89 3 0 37.52 -999 ? N6 ADP C1001 >PRO^A 6 -11.26 -4.19 7.37 -12.26 -2.11 7.59 -11.76 -3.15 7.48 3 0 39.49 -999 ? N6 ADP C1001 >ALA^A 7 -14.67 -1.89 11.08 -15.25 -0.53 11.40 -14.96 -1.21 11.24 2 0 34.93 -999 ? N6 ADP C1001 >GLU.A 8 -16.47 -6.15 15.18 -15.55 -6.74 17.02 -16.01 -6.44 16.10 2 0 40.05 -999 ? N1 ADP C1001 >ASP.A 9 -18.49 -1.48 16.12 -18.32 -3.14 17.40 -18.40 -2.31 16.76 2 0 35.63 -999 ? N1 ADP C1001 >ASP.A 10 -21.48 2.08 13.35 -22.87 1.76 14.94 -22.17 1.92 14.15 2 0 29.48 -999 ? N1 ADP C1001 >ARG~A 11 -18.24 1.32 19.87 -15.89 1.49 21.96 -17.07 1.41 20.91 2 0 32.97 -999 ? N1 ADP C1001 >GLY~A 12 -15.34 4.79 13.98 -15.18 4.16 14.49 -15.26 4.48 14.23 1 0 30.18 -999 ? N6 ADP C1001 >ILE~A 13 -10.89 6.26 15.30 -10.61 7.53 15.34 -10.75 6.89 15.32 3 0 31.40 -999 ? N6 ADP C1001 >LYS~A 14 -12.97 3.35 18.51 -15.05 7.51 22.75 -14.01 5.43 20.63 2 0 28.69 -999 ? N1 ADP C1001 >SER~A 15 -14.03 0.17 16.67 -15.21 -1.29 15.12 -14.62 -0.56 15.89 2 0 35.42 -999 ? N1 ADP C1001 >ASN.A 16 -11.80 -4.14 16.79 -11.72 -4.01 18.95 -11.76 -4.08 17.87 2 0 39.53 -999 ? N1 ADP C1001 >VAL.A 17 -10.52 -3.92 12.63 -8.53 -3.88 11.57 -9.53 -3.90 12.10 3 0 40.72 -999 ? N6 ADP C1001 >SER.A 18 -13.14 -6.41 11.44 -13.61 -6.13 9.12 -13.37 -6.27 10.28 2 0 40.87 -999 ? N6 ADP C1001 >LYS.A 19 -11.55 -9.81 11.23 -8.77 -9.92 15.05 -10.16 -9.86 13.14 2 0 46.12 -999 ? N1 ADP C1001 >HIS.A 20 -13.99 -12.93 8.41 -13.37 -14.79 9.16 -13.68 -13.86 8.79 3 0 47.81 -999 ? N6 ADP C1001 >PHE.A 21 -12.01 -6.76 3.07 -12.69 -5.08 0.95 -12.35 -5.92 2.01 3 0 42.86 -999 ? N6 ADP C1001 >GLY.A 22 -15.86 -8.41 2.68 -16.06 -8.23 3.51 -15.96 -8.32 3.09 1 0 43.32 -999 ? N6 ADP C1001 >ARG.A 23 -17.87 -12.22 3.83 -15.16 -13.38 2.91 -16.52 -12.80 3.37 2 0 47.94 -999 ? N6 ADP C1001 >SER.A 24 -17.71 -6.23 7.18 -16.21 -4.71 6.28 -16.96 -5.47 6.73 2 0 39.01 -999 ? N6 ADP C1001 >ARG.A 25 -23.17 -5.31 5.72 -21.44 -6.89 3.60 -22.31 -6.10 4.66 2 0 39.86 -999 ? N6 ADP C1001 >TYR^A 26 -20.23 -0.15 10.23 -22.87 -0.31 11.21 -21.55 -0.23 10.72 3 0 32.13 -999 ? N6 ADP C1001 >PHE^A 27 -14.93 -0.17 4.77 -14.26 -2.70 3.79 -14.59 -1.44 4.28 3 0 37.41 -999 ? N6 ADP C1001 >VAL^A 28 -13.34 3.93 8.27 -12.88 4.12 10.43 -13.11 4.03 9.35 3 0 32.57 -999 ? N6 ADP C1001 >PHE^A 29 -12.99 5.90 3.87 -14.20 3.90 2.32 -13.59 4.90 3.10 3 0 33.27 -999 ? N6 ADP C1001 >VAL^A 30 -8.68 8.21 7.44 -7.83 7.56 9.36 -8.25 7.89 8.40 3 0 33.13 -999 ? N6 ADP C1001 >ASP^A 31 -7.60 12.44 5.41 -8.89 12.13 3.85 -8.25 12.28 4.63 2 0 31.30 -999 ? N6 ADP C1001 >ILE^A 32 -2.67 9.94 7.26 -2.29 8.92 8.20 -2.48 9.43 7.73 3 0 36.78 -999 ? N6 ADP C1001 >GLU^A 33 -2.83 15.49 5.14 -2.18 15.03 3.15 -2.50 15.26 4.14 2 0 35.51 -999 ? N6 ADP C1001 >GLY.A 34 2.49 13.62 7.79 1.75 13.25 7.94 2.12 13.43 7.87 1 0 38.98 -999 ? N6 ADP C1001 >GLU.A 35 4.51 12.95 12.26 5.81 14.21 13.42 5.16 13.58 12.84 2 0 41.16 -999 ? N6 ADP C1001 >ASP^A 36 -1.45 15.76 11.21 -1.10 16.77 13.16 -1.28 16.26 12.18 2 0 33.81 -999 ? N6 ADP C1001 >VAL^A 37 -4.85 12.62 11.07 -5.75 10.99 12.22 -5.30 11.81 11.64 3 0 32.56 -999 ? N6 ADP C1001 >LYS^A 38 -6.79 15.32 9.19 -4.05 19.39 6.22 -5.42 17.35 7.71 2 0 31.29 -999 ? N6 ADP C1001 >ASN^A 39 -10.50 14.02 7.34 -12.57 14.30 7.00 -11.53 14.16 7.17 2 0 26.27 -999 ? N6 ADP C1001 >VAL^A 40 -12.04 10.51 9.85 -11.74 9.36 11.65 -11.89 9.93 10.75 3 0 28.74 -999 ? N6 ADP C1001 >GLU^A 41 -16.06 9.21 5.46 -17.05 10.76 4.34 -16.56 9.98 4.90 2 0 26.55 -999 ? N6 ADP C1001 >VAL^A 42 -17.22 6.50 9.05 -17.23 6.12 11.14 -17.22 6.31 10.10 3 0 28.28 -999 ? N6 ADP C1001 >VAL^A 43 -19.60 5.09 6.39 -18.76 6.07 4.66 -19.18 5.58 5.53 3 0 29.07 -999 ? N6 ADP C1001 >GLU^A 44 -23.95 2.54 6.45 -25.82 1.78 7.26 -24.89 2.16 6.85 2 0 29.72 -999 ? N6 ADP C1001 >VAL.A 45 -21.27 -0.65 3.11 -19.62 -2.13 2.86 -20.45 -1.39 2.98 3 0 35.40 -999 ? N6 ADP C1001 >PRO.A 46 -22.89 0.61 -0.64 -23.55 -0.84 0.95 -23.22 -0.12 0.15 3 0 34.54 -999 ? N6 ADP C1001 >PHE.A 47 -26.57 -5.13 -1.90 -27.64 -5.09 -4.56 -27.10 -5.11 -3.23 3 0 38.97 -999 ? O1A ADP C1001 >GLY~A 53 -15.62 -6.26 -7.48 -16.40 -5.99 -7.58 -16.01 -6.12 -7.53 1 0 45.57 -999 ? N6 ADP C1001 >ASP~A 54 -19.38 -4.76 -4.80 -20.64 -5.74 -6.14 -20.01 -5.25 -5.47 2 0 42.89 -999 ? N6 ADP C1001 >LEU~A 55 -15.73 -4.74 -1.28 -16.63 -4.61 0.71 -16.18 -4.67 -0.28 3 0 40.94 -999 ? N6 ADP C1001 >PRO~A 56 -12.45 -5.07 -4.36 -13.43 -3.13 -3.80 -12.94 -4.10 -4.08 3 0 43.38 -999 ? N6 ADP C1001 >ASN~A 57 -15.73 -0.75 -7.31 -14.92 -1.39 -9.21 -15.32 -1.07 -8.26 2 0 43.07 -999 ? N6 ADP C1001 >PHE~A 58 -17.56 0.82 -0.93 -18.36 2.22 1.34 -17.96 1.52 0.20 3 0 34.92 -999 ? N6 ADP C1001 >ILE~A 59 -12.06 0.61 -1.09 -12.03 0.96 0.31 -12.05 0.78 -0.39 3 0 38.52 -999 ? N6 ADP C1001 >LYS~A 60 -11.54 3.22 -4.84 -9.87 2.87 -11.02 -10.70 3.05 -7.93 2 0 43.57 -999 ? N6 ADP C1001 >ASP~A 61 -16.08 4.88 -5.43 -16.33 3.76 -7.24 -16.20 4.32 -6.34 2 0 37.71 -999 ? N6 ADP C1001 >HIS~A 62 -15.84 6.06 -0.29 -17.94 5.95 -0.14 -16.89 6.00 -0.22 3 0 32.10 -999 ? N6 ADP C1001 >GLY.A 63 -10.41 7.85 -2.69 -10.52 7.16 -2.28 -10.47 7.50 -2.48 1 0 35.61 -999 ? N6 ADP C1001 >ALA.A 64 -8.60 5.30 -0.48 -9.23 4.31 0.41 -8.92 4.80 -0.03 2 0 37.27 -999 ? N6 ADP C1001 >LYS.A 65 -5.22 4.23 -1.84 -5.14 5.63 -5.71 -5.18 4.93 -3.77 2 0 41.76 -999 ? N6 ADP C1001 >ILE^A 66 -3.15 2.43 2.01 -1.71 2.21 2.45 -2.43 2.32 2.23 3 0 42.48 -999 ? N6 ADP C1001 >VAL^A 67 -6.41 -0.65 2.86 -8.07 -1.66 1.88 -7.24 -1.16 2.37 3 0 41.71 -999 ? N6 ADP C1001 >LEU^A 68 -5.16 -1.18 7.49 -3.42 0.19 7.46 -4.29 -0.49 7.48 3 0 41.88 -999 ? N6 ADP C1001 >THR.A 69 -7.10 -5.38 7.02 -7.46 -6.06 5.00 -7.28 -5.72 6.01 2 0 44.69 -999 ? N6 ADP C1001 >TYR.A 70 -7.30 -10.03 11.13 -6.31 -12.30 12.53 -6.80 -11.17 11.83 3 0 48.30 -999 ? N6 ADP C1001 >GLY.A 71 -8.06 -11.19 6.84 -8.36 -10.42 6.74 -8.21 -10.80 6.79 1 0 48.26 -999 ? N6 ADP C1001 >ILE.A 72 -8.52 -9.30 2.82 -7.81 -8.39 1.98 -8.16 -8.85 2.40 3 0 47.21 -999 ? N6 ADP C1001 >GLY~A 73 -9.03 -13.13 0.27 -8.69 -12.39 0.23 -8.86 -12.76 0.25 1 0 50.94 -999 ? N6 ADP C1001 >ARG~A 74 -4.24 -15.34 -4.72 -4.23 -18.33 -3.84 -4.23 -16.83 -4.28 2 0 58.75 -999 ? N6 ADP C1001 >ARG~A 75 -9.93 -13.21 -7.89 -9.68 -10.57 -9.55 -9.81 -11.89 -8.72 2 0 52.31 -999 ? N6 ADP C1001 >ALA~A 76 -9.83 -9.32 -3.29 -10.52 -9.25 -1.89 -10.17 -9.28 -2.59 2 0 47.73 -999 ? N6 ADP C1001 >ILE~A 77 -4.99 -9.19 -2.13 -3.95 -9.50 -1.19 -4.47 -9.35 -1.66 3 0 50.77 -999 ? N6 ADP C1001 >GLU~A 78 -4.39 -11.15 -6.80 -4.73 -13.12 -7.49 -4.56 -12.13 -7.15 2 0 55.68 -999 ? N6 ADP C1001 >TYR~A 79 -11.04 -6.77 -8.02 -12.97 -5.68 -9.76 -12.01 -6.23 -8.89 3 0 47.68 -999 ? N6 ADP C1001 >PHE~A 80 -8.29 -3.88 -2.77 -10.49 -3.33 -1.12 -9.39 -3.60 -1.94 3 0 43.84 -999 ? N6 ADP C1001 >ASN~A 81 -3.09 -5.47 -6.59 -2.17 -5.74 -4.66 -2.63 -5.60 -5.63 2 0 50.50 -999 ? N6 ADP C1001 >SER~A 82 -5.39 -4.03 -10.23 -7.69 -4.72 -10.44 -6.54 -4.38 -10.33 2 0 49.36 -999 ? N6 ADP C1001 >LEU~A 83 -8.30 -0.81 -8.26 -10.27 -1.25 -9.08 -9.29 -1.03 -8.67 3 0 45.09 -999 ? N6 ADP C1001 >GLY.A 84 -3.69 0.62 -7.90 -4.33 0.30 -7.38 -4.01 0.46 -7.64 1 0 46.77 -999 ? N6 ADP C1001 >ILE.A 85 -6.22 0.01 -3.90 -7.42 0.56 -3.31 -6.82 0.29 -3.61 3 0 43.13 -999 ? N6 ADP C1001 >SER^A 86 -2.30 -1.54 -1.75 -0.44 -0.25 -2.37 -1.37 -0.90 -2.06 2 0 47.04 -999 ? N6 ADP C1001 >VAL^A 87 -3.52 -3.83 0.95 -5.27 -5.28 0.52 -4.39 -4.55 0.73 3 0 46.43 -999 ? N6 ADP C1001 >VAL^A 88 -1.93 -4.57 4.36 -0.59 -3.24 5.54 -1.26 -3.91 4.95 3 0 46.85 -999 ? N6 ADP C1001 >THR.A 89 -3.01 -7.90 5.97 -2.57 -9.33 4.41 -2.79 -8.62 5.19 2 0 50.21 -999 ? N6 ADP C1001 >GLY.A 90 -2.63 -9.10 9.59 -2.95 -8.41 9.42 -2.79 -8.76 9.50 1 0 49.17 -999 ? N6 ADP C1001 >VAL.A 91 -3.68 -5.79 11.19 -3.32 -3.78 10.35 -3.50 -4.78 10.77 3 0 45.15 -999 ? N6 ADP C1001 >TYR.A 92 -4.46 -7.57 15.71 -2.05 -7.82 17.04 -3.26 -7.69 16.38 3 0 47.39 -999 ? N1 ADP C1001 >GLY.A 93 -7.00 -4.03 17.29 -7.39 -3.85 16.59 -7.20 -3.94 16.94 1 0 42.20 -999 ? N1 ADP C1001 >ARG~A 94 -9.32 1.83 20.70 -11.98 2.20 22.31 -10.65 2.02 21.51 2 0 34.60 -999 ? N1 ADP C1001 >ILE~A 95 -9.73 1.69 13.89 -10.47 1.54 12.68 -10.10 1.62 13.29 3 0 35.87 -999 ? N6 ADP C1001 >SER~A 96 -7.24 4.52 16.66 -7.72 4.23 19.06 -7.48 4.38 17.86 2 0 35.53 -999 ? N1 ADP C1001 >ASP~A 97 -4.20 1.28 18.72 -4.75 1.76 20.72 -4.48 1.52 19.72 2 0 39.49 -999 ? N1 ADP C1001 >VAL~A 98 -3.64 1.06 14.31 -4.63 -0.44 13.12 -4.13 0.31 13.72 3 0 40.75 -999 ? N6 ADP C1001 >ILE~A 99 -4.84 5.51 12.70 -5.89 6.09 12.15 -5.36 5.80 12.43 3 0 36.11 -999 ? N6 ADP C1001 >LYS~A 100 -1.03 5.78 15.30 1.15 8.50 19.55 0.06 7.14 17.43 2 0 39.84 -999 ? N1 ADP C1001 >ALA~A 101 1.08 2.64 14.69 0.71 1.16 14.96 0.89 1.90 14.82 2 0 43.65 -999 ? N6 ADP C1001 >PHE~A 102 -0.48 3.09 8.71 -0.12 3.21 5.93 -0.30 3.15 7.32 3 0 42.29 -999 ? N6 ADP C1001 >ILE~A 103 1.21 7.82 11.75 0.45 9.02 11.88 0.83 8.42 11.82 3 0 39.50 -999 ? N6 ADP C1001 >GLY~A 104 5.00 5.74 13.11 4.74 5.24 12.62 4.87 5.49 12.86 1 0 44.37 -999 ? N6 ADP C1001 >GLY.A 105 6.33 2.76 11.10 5.97 2.70 11.78 6.15 2.73 11.44 1 0 47.26 -999 ? N6 ADP C1001 >LYS.A 106 5.53 0.28 13.93 10.17 1.85 15.47 7.85 1.06 14.70 2 0 50.79 -999 ? N6 ADP C1001 >LEU.A 107 2.02 -1.72 11.41 0.30 -0.78 10.75 1.16 -1.25 11.08 3 0 45.76 -999 ? N6 ADP C1001 >LYS.A 108 1.67 -4.82 14.87 3.65 -3.69 19.86 2.66 -4.25 17.37 2 0 49.24 -999 ? N1 ADP C1001 >ILE.A 109 1.93 -7.80 11.11 1.13 -7.17 10.23 1.53 -7.49 10.67 3 0 50.48 -999 ? N6 ADP C1001 >ASP.A 110 -2.05 -11.28 13.38 -2.43 -13.21 14.14 -2.24 -12.24 13.76 2 0 52.32 -999 ? N6 ADP C1001 >TYR.A 111 4.09 -12.42 11.59 5.78 -10.22 12.07 4.93 -11.32 11.83 3 0 55.51 -999 ? N6 ADP C1001 >ASP.A 112 -0.40 -16.97 12.76 1.53 -17.82 13.03 0.56 -17.40 12.89 2 0 58.40 -999 ? N6 ADP C1001 >TRP.A 113 -2.27 -12.30 8.14 -4.73 -13.16 5.16 -3.50 -12.73 6.65 3 0 51.98 -999 ? N6 ADP C1001 >LYS.A 114 -4.38 -17.33 7.81 -3.33 -16.78 2.19 -3.86 -17.06 5.00 2 0 56.27 -999 ? N6 ADP C1001 >GLU.A 115 -2.13 -20.10 11.70 -1.63 -20.78 13.69 -1.88 -20.44 12.69 2 0 59.12 -999 ? N6 ADP C1001 >MET.B 1 -17.00 23.00 22.02 -18.83 25.54 19.94 -17.91 24.27 20.98 2 0 14.62 -999 ? N1 ADP C1001 >ARG^B 2 -18.09 16.69 18.57 -16.32 14.84 20.16 -17.21 15.76 19.37 2 0 22.13 -999 ? N1 ADP C1001 >VAL^B 3 -20.36 21.33 16.68 -20.22 23.45 16.09 -20.29 22.39 16.38 3 0 14.14 -999 ? N6 ADP C1001 >ALA^B 4 -22.49 19.03 14.42 -23.52 18.15 15.03 -23.01 18.59 14.72 2 0 14.54 -999 ? N6 ADP C1001 >ILE^B 5 -22.30 20.74 10.15 -21.56 21.55 10.13 -21.93 21.14 10.14 3 0 14.28 -999 ? N6 ADP C1001 >PRO^B 6 -27.31 19.64 8.80 -25.46 18.36 9.07 -26.38 19.00 8.94 3 0 13.65 -999 ? N6 ADP C1001 >ALA^B 7 -23.95 17.01 5.35 -22.53 16.46 5.45 -23.24 16.73 5.40 2 0 19.02 -999 ? N6 ADP C1001 >GLU.B 8 -24.54 18.07 0.49 -24.62 18.94 -1.46 -24.58 18.51 -0.49 2 0 21.08 -999 ? N6 ADP C1001 >ASP.B 9 -21.79 14.69 -0.26 -22.78 14.66 -2.05 -22.28 14.67 -1.16 2 0 24.63 -999 ? N6 ADP C1001 >ASP.B 10 -19.64 10.11 1.49 -19.54 9.87 -0.69 -19.59 9.99 0.40 2 0 28.32 -999 ? N6 ADP C1001 >ARG~B 11 -18.01 15.98 -2.43 -14.90 16.29 -2.31 -16.46 16.13 -2.37 2 0 27.94 -999 ? N6 ADP C1001 >GLY~B 12 -17.91 15.52 4.82 -17.88 16.00 4.18 -17.89 15.76 4.50 1 0 22.61 -999 ? N6 ADP C1001 >ILE~B 13 -15.01 18.99 6.59 -13.71 19.51 7.07 -14.36 19.25 6.83 3 0 22.29 -999 ? N6 ADP C1001 >LYS~B 14 -15.99 19.51 1.82 -10.82 19.61 1.70 -13.40 19.56 1.76 2 0 27.17 -999 ? N6 ADP C1001 >SER~B 15 -19.71 18.90 1.41 -21.68 17.51 1.61 -20.69 18.20 1.51 2 0 20.97 -999 ? N6 ADP C1001 >ASN.B 16 -23.35 21.88 0.52 -22.21 22.66 -1.09 -22.78 22.27 -0.28 2 0 20.20 -999 ? N6 ADP C1001 >VAL.B 17 -24.96 21.86 4.55 -25.07 23.45 6.01 -25.02 22.66 5.28 3 0 14.01 -999 ? N6 ADP C1001 >SER.B 18 -27.97 19.58 3.98 -27.31 17.40 4.71 -27.64 18.49 4.34 2 0 16.80 -999 ? N6 ADP C1001 >LYS.B 19 -31.10 21.58 3.18 -29.68 25.32 0.22 -30.39 23.45 1.70 2 0 15.59 -999 ? N6 ADP C1001 >HIS.B 20 -35.44 19.24 3.79 -36.86 20.32 2.70 -36.15 19.78 3.24 3 0 13.19 -999 ? O1A ADP C1001 >PHE.B 21 -31.61 18.24 11.10 -30.96 16.75 13.38 -31.29 17.49 12.24 3 0 12.47 -999 ? N7 ADP C1001 >GLY.B 22 -33.99 15.05 9.19 -33.34 14.99 8.60 -33.67 15.02 8.90 1 0 14.86 -999 ? O1A ADP C1001 >ARG.B 23 -35.24 15.53 3.08 -37.20 16.95 1.17 -36.22 16.24 2.12 2 0 16.12 -999 ? O1A ADP C1001 >SER.B 24 -29.56 14.13 6.20 -27.58 15.07 7.20 -28.57 14.60 6.70 2 0 17.25 -999 ? N6 ADP C1001 >ARG.B 25 -29.04 7.60 4.48 -27.73 5.04 5.73 -28.38 6.32 5.11 2 0 26.72 -999 ? N7 ADP C1001 >TYR^B 26 -23.26 11.23 5.07 -23.26 9.04 3.31 -23.26 10.14 4.19 3 0 24.12 -999 ? N6 ADP C1001 >PHE^B 27 -25.23 14.62 11.31 -27.95 15.25 11.19 -26.59 14.94 11.25 3 0 16.30 -999 ? N6 ADP C1001 >VAL^B 28 -19.89 16.36 10.31 -18.76 17.41 8.88 -19.32 16.89 9.60 3 0 19.02 -999 ? N6 ADP C1001 >PHE^B 29 -19.97 14.78 14.91 -22.45 13.54 15.08 -21.21 14.16 14.99 3 0 19.13 -999 ? N6 ADP C1001 >VAL^B 30 -15.85 19.10 14.67 -16.13 20.48 12.91 -15.99 19.79 13.79 3 0 19.12 -999 ? N6 ADP C1001 >ASP^B 31 -13.40 19.33 18.81 -14.28 17.40 18.97 -13.84 18.37 18.89 2 0 22.05 -999 ? N1 ADP C1001 >ILE^B 32 -14.59 24.95 17.32 -15.09 25.76 16.23 -14.84 25.36 16.77 3 0 18.06 -999 ? N6 ADP C1001 >GLU^B 33 -10.19 23.43 20.85 -11.43 22.93 22.49 -10.81 23.18 21.67 2 0 22.82 -999 ? N1 ADP C1001 >GLY.B 34 -10.23 29.41 19.16 -10.67 28.78 18.72 -10.45 29.09 18.94 1 0 22.44 -999 ? N6 ADP C1001 >GLU.B 35 -8.42 31.70 14.79 -7.88 32.87 13.09 -8.15 32.29 13.94 2 0 24.64 -999 ? N6 ADP C1001 >ASP^B 36 -7.49 25.66 16.69 -6.44 23.85 16.43 -6.96 24.75 16.56 2 0 26.54 -999 ? N6 ADP C1001 >VAL^B 37 -10.74 23.15 14.22 -11.39 22.86 12.12 -11.06 23.00 13.17 3 0 22.32 -999 ? N6 ADP C1001 >LYS.B 38 -9.30 19.94 15.62 -4.67 19.41 15.25 -6.98 19.68 15.44 2 0 29.47 -999 ? N6 ADP C1001 >ASN.B 39 -11.13 15.65 16.64 -9.36 15.49 17.83 -10.24 15.57 17.23 2 0 27.14 -999 ? N6 ADP C1001 >VAL.B 40 -13.02 16.51 12.14 -12.89 17.77 10.38 -12.95 17.14 11.26 3 0 23.36 -999 ? N6 ADP C1001 >GLU^B 41 -15.90 11.43 13.39 -16.60 10.91 15.33 -16.25 11.17 14.36 2 0 24.52 -999 ? N6 ADP C1001 >VAL^B 42 -17.95 12.57 9.46 -17.80 12.68 7.30 -17.88 12.63 8.38 3 0 23.32 -999 ? N6 ADP C1001 >VAL^B 43 -20.38 9.81 10.42 -20.34 9.32 12.56 -20.36 9.57 11.49 3 0 23.70 -999 ? N6 ADP C1001 >GLU^B 44 -24.18 6.66 6.64 -23.83 5.58 4.84 -24.00 6.12 5.74 2 0 27.54 -999 ? N6 ADP C1001 >VAL.B 45 -26.29 7.76 10.45 -27.74 9.22 9.62 -27.01 8.49 10.04 3 0 22.45 -999 ? N6 ADP C1001 >PRO.B 46 -26.11 4.86 13.59 -27.06 4.89 11.56 -26.58 4.88 12.57 3 0 25.49 -999 ? O4' ADP C1001 >PHE.B 47 -29.91 1.80 9.18 -28.86 -0.57 10.37 -29.39 0.62 9.77 3 0 28.85 -999 ? O4' ADP C1001 >GLY~B 53 -36.20 11.44 18.47 -35.68 11.67 17.90 -35.94 11.55 18.18 1 0 15.89 -999 ? O4' ADP C1001 >ASP~B 54 -33.59 8.19 15.94 -35.17 6.84 16.43 -34.38 7.51 16.19 2 0 20.52 -999 ? O4' ADP C1001 >LEU~B 55 -31.87 12.92 14.06 -31.30 12.59 11.98 -31.59 12.76 13.02 3 0 16.31 -999 ? O4' ADP C1001 >PRO~B 56 -33.40 15.05 17.76 -31.43 13.95 17.73 -32.42 14.50 17.74 3 0 13.92 -999 ? O4' ADP C1001 >ASN~B 57 -30.78 10.03 20.77 -32.50 10.37 22.02 -31.64 10.20 21.39 2 0 18.41 -999 ? O4' ADP C1001 >PHE~B 58 -26.58 9.98 15.28 -24.37 9.78 13.51 -25.47 9.88 14.40 3 0 21.02 -999 ? N6 ADP C1001 >ILE~B 59 -26.69 15.15 17.37 -26.90 15.90 16.49 -26.80 15.53 16.93 3 0 15.13 -999 ? N1 ADP C1001 >LYS~B 60 -26.04 13.89 21.83 -25.92 10.67 25.77 -25.98 12.28 23.80 2 0 21.40 -999 ? C2 ADP C1001 >ASP~B 61 -24.91 9.18 21.46 -26.77 8.69 22.33 -25.84 8.94 21.90 2 0 21.98 -999 ? C2 ADP C1001 >HIS~B 62 -21.68 10.95 17.44 -21.09 9.22 16.39 -21.38 10.08 16.91 3 0 22.43 -999 ? N1 ADP C1001 >GLY.B 63 -21.09 14.83 22.17 -21.52 14.99 21.54 -21.30 14.91 21.86 1 0 19.32 -999 ? N1 ADP C1001 >ALA.B 64 -22.22 17.81 20.01 -22.67 17.81 18.54 -22.45 17.81 19.28 2 0 15.41 -999 ? N1 ADP C1001 >LYS.B 65 -23.42 20.96 21.77 -22.73 18.61 26.55 -23.08 19.79 24.16 2 0 17.22 -999 ? C2 ADP C1001 >ILE^B 66 -23.49 24.37 18.65 -23.33 25.84 18.84 -23.41 25.10 18.74 3 0 10.33 -999 ? N1 ADP C1001 >VAL^B 67 -25.94 22.13 15.60 -27.27 20.33 15.42 -26.61 21.23 15.51 3 0 10.26 -999 ? N6 ADP C1001 >LEU^B 68 -24.17 24.82 12.03 -22.94 26.13 13.15 -23.55 25.48 12.59 3 0 9.99 -999 ? N6 ADP C1001 >THR.B 69 -28.27 23.67 9.92 -29.81 23.02 11.35 -29.04 23.34 10.64 2 0 8.02 -999 ? N6 ADP C1001 >TYR.B 70 -30.56 25.72 4.57 -31.82 27.56 2.83 -31.19 26.64 3.70 3 0 11.71 -999 ? N6 ADP C1001 >GLY.B 71 -33.60 23.98 7.54 -33.01 23.50 7.82 -33.31 23.74 7.68 1 0 8.94 -999 ? N7 ADP C1001 >ILE.B 72 -34.02 22.08 11.60 -33.52 22.14 12.86 -33.77 22.11 12.23 3 0 7.53 -999 ? N7 ADP C1001 >GLY~B 73 -38.60 21.75 11.85 -37.95 21.79 12.31 -38.28 21.77 12.08 1 0 6.44 -999 ? O1A ADP C1001 >ARG~B 74 -43.21 24.74 16.58 -45.29 23.99 18.72 -44.25 24.36 17.65 2 0 -6.26 -999 ? O2A ADP C1001s >ARG~B 75 -43.83 18.61 16.41 -46.11 20.56 15.85 -44.97 19.59 16.13 2 0 7.41 -999 ? O2A ADP C1001 >ALA~B 76 -36.72 18.92 16.14 -36.15 18.54 14.79 -36.43 18.73 15.47 2 0 9.09 -999 ? O4' ADP C1001 >ILE~B 77 -35.74 23.68 16.86 -35.55 25.00 16.32 -35.65 24.34 16.59 3 0 -3.81 -999 ? O4' ADP C1001s >GLU~B 78 -39.37 23.43 20.35 -41.49 23.57 20.23 -40.43 23.50 20.29 2 0 5.47 -999 ? O3' ADP C1001 >TYR~B 79 -36.09 15.89 20.59 -36.23 13.43 21.88 -36.16 14.66 21.23 3 0 13.34 -999 ? O4' ADP C1001 >PHE~B 80 -31.32 19.21 18.41 -30.35 17.46 16.44 -30.83 18.34 17.43 3 0 11.23 -999 ? C2 ADP C1001 >ASN~B 81 -34.12 23.31 22.91 -33.74 24.78 21.37 -33.93 24.04 22.14 2 0 5.38 -999 ? N3 ADP C1001 >SER~B 82 -34.46 19.85 25.71 -36.11 18.63 24.45 -35.28 19.24 25.08 2 0 11.53 -999 ? O4' ADP C1001 >LEU~B 83 -30.91 17.01 24.26 -31.89 15.25 23.69 -31.40 16.13 23.98 3 0 14.46 -999 ? C2 ADP C1001 >GLY.B 84 -29.23 21.04 26.04 -29.32 20.71 25.30 -29.27 20.88 25.67 1 0 12.08 -999 ? C2 ADP C1001 >ILE.B 85 -28.32 20.11 21.52 -27.91 19.02 20.80 -28.11 19.57 21.16 3 0 11.41 -999 ? C2 ADP C1001 >SER^B 86 -28.54 24.76 20.78 -28.08 27.14 20.69 -28.31 25.95 20.73 2 0 6.21 -999 ? N1 ADP C1001 >VAL^B 87 -29.44 24.98 17.08 -30.82 23.47 16.25 -30.13 24.22 16.67 3 0 -5.85 -999 ? N1 ADP C1001s >VAL^B 88 -28.56 27.62 14.44 -26.80 28.90 14.42 -27.68 28.26 14.43 3 0 4.85 -999 ? N6 ADP C1001 >THR.B 89 -30.78 27.78 11.26 -32.72 28.03 12.28 -31.75 27.91 11.77 2 0 -3.20 -999 ? N6 ADP C1001s >GLY.B 90 -30.30 29.32 7.79 -29.71 28.87 8.11 -30.00 29.09 7.95 1 0 7.42 -999 ? N6 ADP C1001 >VAL.B 91 -26.65 28.26 7.42 -25.23 27.90 9.10 -25.94 28.08 8.26 3 0 9.34 -999 ? N6 ADP C1001 >TYR.B 92 -26.28 29.17 2.52 -25.72 31.84 1.90 -26.00 30.50 2.21 3 0 14.20 -999 ? N6 ADP C1001 >GLY.B 93 -22.84 26.20 1.59 -22.97 25.70 2.25 -22.90 25.95 1.92 1 0 16.72 -999 ? N6 ADP C1001 >ARG~B 94 -16.51 23.41 0.38 -17.12 22.32 -2.40 -16.82 22.86 -1.01 2 0 24.19 -999 ? N6 ADP C1001 >ILE~B 95 -19.55 21.74 6.02 -20.30 20.77 6.78 -19.92 21.26 6.40 3 0 17.25 -999 ? N6 ADP C1001 >SER~B 96 -15.47 24.08 5.71 -14.65 24.49 3.41 -15.06 24.29 4.56 2 0 21.70 -999 ? N6 ADP C1001 >ASP~B 97 -17.01 28.05 3.64 -15.70 27.74 1.96 -16.36 27.90 2.80 2 0 21.13 -999 ? N6 ADP C1001 >VAL~B 98 -19.28 27.54 7.41 -21.33 26.65 7.49 -20.31 27.09 7.45 3 0 14.35 -999 ? N6 ADP C1001 >ILE~B 99 -16.24 25.05 10.19 -16.07 23.79 10.64 -16.15 24.42 10.42 3 0 17.56 -999 ? N6 ADP C1001 >LYS~B 100 -14.49 29.22 9.50 -10.36 30.43 5.24 -12.43 29.83 7.37 2 0 23.96 -999 ? N6 ADP C1001 >ALA~B 101 -17.44 31.72 9.56 -18.53 31.73 8.48 -17.99 31.73 9.02 2 0 15.29 -999 ? N6 ADP C1001 >PHE~B 102 -19.65 28.55 14.45 -20.63 28.01 16.97 -20.14 28.28 15.71 3 0 12.24 -999 ? N6 ADP C1001 >ILE~B 103 -14.25 29.70 13.93 -13.14 28.76 14.26 -13.69 29.23 14.10 3 0 18.59 -999 ? N6 ADP C1001 >GLY~B 104 -14.96 34.23 13.50 -15.73 33.92 13.69 -15.35 34.07 13.59 1 0 17.92 -999 ? N6 ADP C1001 >GLY.B 105 -18.36 34.95 14.87 -18.15 34.98 14.15 -18.25 34.96 14.51 1 0 14.83 -999 ? N6 ADP C1001 >LYS.B 106 -19.68 36.01 11.35 -19.41 40.72 7.99 -19.55 38.36 9.67 2 0 18.25 -999 ? N6 ADP C1001 >LEU.B 107 -23.07 32.49 10.53 -22.44 30.58 11.22 -22.75 31.53 10.88 3 0 10.48 -999 ? N6 ADP C1001 >LYS.B 108 -23.61 33.84 6.26 -20.57 37.69 4.41 -22.09 35.77 5.33 2 0 17.61 -999 ? N6 ADP C1001 >ILE.B 109 -27.70 33.33 8.38 -27.98 33.04 9.59 -27.84 33.19 8.98 3 0 8.16 -999 ? N6 ADP C1001 >ASP.B 110 -30.45 31.51 3.79 -31.95 31.85 2.33 -31.20 31.68 3.06 2 0 12.77 -999 ? N6 ADP C1001 >TYR.B 111 -31.63 36.54 7.53 -29.30 37.35 8.87 -30.47 36.94 8.20 3 0 10.00 -999 ? N6 ADP C1001 >ASP.B 112 -35.67 34.06 2.87 -37.59 34.07 2.20 -36.63 34.06 2.54 2 0 11.36 -999 ? O1B ADP C1001 >TRP.B 113 -33.53 30.14 7.96 -35.79 27.09 9.08 -34.66 28.61 8.52 3 0 6.23 -999 ? N7 ADP C1001 >LYS.B 114 -38.05 28.30 5.66 -42.50 28.99 10.13 -40.28 28.64 7.90 2 0 -3.14 -999 ? O1A ADP C1001s >GLU.B 115 -39.49 31.51 1.54 -40.33 32.66 0.02 -39.91 32.09 0.78 2 0 12.48 -999 ? O1B ADP C1001 >LYS.B 116 -38.53 26.18 0.73 -35.66 28.79 0.03 -37.10 27.49 0.38 2 0 13.79 -999 ? O2B ADP C1001 >MET.C 1 -18.24 28.03 27.17 -21.35 25.33 27.23 -19.80 26.68 27.20 2 0 15.55 -999 ? C2 ADP C1001 >ARG^C 2 -18.93 34.99 28.58 -17.63 35.83 31.18 -18.28 35.41 29.88 2 0 21.46 -999 ? C2 ADP C1001 >VAL^C 3 -23.65 31.35 28.35 -24.64 29.40 28.39 -24.14 30.38 28.37 3 0 13.80 -999 ? C2 ADP C1001 >ALA^C 4 -25.90 34.40 28.80 -25.82 35.52 27.80 -25.86 34.96 28.30 2 0 13.75 -999 ? C2 ADP C1001 >ILE^C 5 -29.46 33.37 31.68 -29.72 31.95 32.14 -29.59 32.66 31.91 3 0 14.63 -999 ? C2 ADP C1001 >PRO^C 6 -33.14 36.20 28.94 -31.46 36.63 30.44 -32.30 36.41 29.69 3 0 13.58 -999 ? C2 ADP C1001 >ALA^C 7 -32.65 37.85 34.38 -31.51 37.98 35.41 -32.08 37.92 34.89 2 0 19.38 -999 ? C2 ADP C1001 >GLU.C 8 -38.22 39.03 36.55 -39.65 38.08 37.81 -38.93 38.56 37.18 2 0 21.29 -999 ? O3' ADP C1001 >ASP.C 9 -34.52 40.90 40.15 -34.60 38.85 40.85 -34.56 39.87 40.50 2 0 24.62 -999 ? C2 ADP C1001 >ASP.C 10 -29.82 42.88 40.75 -30.96 43.09 42.54 -30.39 42.98 41.65 2 0 28.10 -999 ? C2 ADP C1001 >ILE.C 13 -27.70 31.86 39.95 -26.92 30.71 39.51 -27.31 31.28 39.73 3 0 22.46 -999 ? C2 ADP C1001 >LYS.C 14 -31.38 33.30 42.44 -27.73 35.10 43.96 -29.56 34.20 43.20 2 0 27.01 -999 ? C2 ADP C1001 >SER.C 15 -33.57 35.15 39.94 -32.12 36.31 38.28 -32.84 35.73 39.11 2 0 21.32 -999 ? C2 ADP C1001 >ASN.C 16 -37.30 33.94 37.34 -37.96 32.85 39.06 -37.63 33.39 38.20 2 0 20.87 -999 ? O3' ADP C1001 >VAL.C 17 -35.30 33.77 33.44 -35.04 32.26 31.91 -35.17 33.01 32.67 3 0 15.05 -999 ? C2 ADP C1001 >SER.C 18 -36.98 36.98 32.18 -36.06 38.40 30.49 -36.52 37.69 31.34 2 0 15.10 -999 ? O2' ADP C1001 >LYS.C 19 -40.14 36.21 30.10 -44.63 37.95 34.40 -42.38 37.08 32.25 2 0 18.77 -999 ? O3' ADP C1001 >HIS.C 20 -41.73 39.63 27.45 -43.78 39.16 27.51 -42.75 39.40 27.48 3 0 13.76 -999 ? O2' ADP C1001 >PHE.C 21 -33.74 38.44 24.72 -31.32 39.34 23.74 -32.53 38.89 24.23 3 0 11.41 -999 ? C2 ADP C1001 >GLY.C 22 -35.88 42.47 25.00 -35.89 42.36 25.87 -35.88 42.42 25.44 1 0 14.12 -999 ? O2' ADP C1001 >ARG.C 23 -41.38 43.66 27.78 -43.67 44.44 29.75 -42.52 44.05 28.77 2 0 19.01 -999 ? O2' ADP C1001 >SER.C 24 -34.60 42.57 30.36 -34.63 40.35 29.52 -34.62 41.46 29.94 2 0 15.73 -999 ? O2' ADP C1001 >ARG.C 25 -32.85 47.91 34.77 -31.37 50.53 33.86 -32.11 49.22 34.31 2 0 26.50 -999 ? C2 ADP C1001 >TYR^C 26 -30.56 43.06 36.03 -31.04 45.27 37.68 -30.80 44.17 36.86 3 0 24.03 -999 ? C2 ADP C1001 >PHE^C 27 -28.49 39.61 29.74 -30.46 39.97 27.81 -29.48 39.79 28.78 3 0 15.44 -999 ? C2 ADP C1001 >VAL^C 28 -26.40 36.44 34.05 -27.09 35.19 35.70 -26.75 35.81 34.87 3 0 19.11 -999 ? C2 ADP C1001 >PHE^C 29 -22.69 37.33 30.80 -23.71 39.19 28.97 -23.20 38.26 29.89 3 0 17.94 -999 ? C2 ADP C1001 >VAL^C 30 -21.92 31.89 33.13 -23.87 30.87 33.18 -22.89 31.38 33.15 3 0 18.40 -999 ? C2 ADP C1001 >ASP^C 31 -17.30 30.71 32.69 -16.98 32.62 31.85 -17.14 31.67 32.27 2 0 21.62 -999 ? C2 ADP C1001 >ILE^C 32 -20.43 25.98 31.60 -21.65 25.68 31.89 -21.04 25.83 31.75 3 0 18.65 -999 ? C2 ADP C1001 >GLU^C 33 -14.30 26.31 31.75 -13.99 26.91 29.72 -14.14 26.61 30.73 2 0 22.62 -999 ? N1 ADP C1001 >GLY.C 34 -16.66 20.58 31.74 -17.21 21.24 31.71 -16.93 20.91 31.73 1 0 23.21 -999 ? C2 ADP C1001 >GLU.C 35 -21.26 18.31 34.64 -21.49 16.34 35.41 -21.37 17.33 35.03 2 0 24.58 -999 ? C2 ADP C1001 >ASP^C 36 -16.89 23.06 36.75 -16.41 21.35 37.85 -16.65 22.20 37.30 2 0 27.15 -999 ? C2 ADP C1001 >VAL^C 37 -19.60 26.60 36.53 -21.11 27.38 37.97 -20.36 26.99 37.25 3 0 23.19 -999 ? C2 ADP C1001 >LYS^C 38 -16.18 28.34 36.63 -11.47 27.59 37.59 -13.82 27.96 37.11 2 0 29.32 -999 ? C2 ADP C1001 >ASN^C 39 -16.77 32.66 36.54 -17.11 34.71 36.97 -16.94 33.69 36.75 2 0 25.44 -999 ? C2 ADP C1001 >VAL^C 40 -20.93 33.88 37.25 -22.12 32.63 38.71 -21.52 33.26 37.98 3 0 23.42 -999 ? C2 ADP C1001 >GLU^C 41 -20.29 38.32 35.00 -18.64 39.42 34.23 -19.47 38.87 34.62 2 0 24.05 -999 ? C2 ADP C1001 >VAL^C 42 -24.58 39.81 36.72 -25.55 39.64 38.65 -25.07 39.73 37.69 3 0 23.64 -999 ? C2 ADP C1001 >VAL^C 43 -24.59 42.75 34.36 -23.69 42.87 32.38 -24.14 42.81 33.37 3 0 22.36 -999 ? C2 ADP C1001 >GLU^C 44 -28.75 47.24 35.01 -29.12 48.55 36.63 -28.93 47.90 35.82 2 0 27.03 -999 ? C2 ADP C1001 >VAL.C 45 -28.25 46.70 30.64 -29.66 45.33 29.65 -28.95 46.01 30.14 3 0 21.07 -999 ? C2 ADP C1001 >PRO.C 46 -26.36 49.91 28.71 -28.11 49.82 30.15 -27.23 49.86 29.43 3 0 24.28 -999 ? C2 ADP C1001 >PHE.C 47 -33.84 53.41 29.52 -36.47 53.88 28.66 -35.15 53.65 29.09 3 0 25.87 -999 ? O2' ADP C1001 >GLU.C 48 -33.52 53.52 23.97 -33.48 52.09 22.33 -33.50 52.80 23.15 2 0 22.51 -999 ? O2' ADP C1001 >GLU.C 49 -30.22 47.91 25.82 -28.66 49.28 25.41 -29.44 48.59 25.61 2 0 21.81 -999 ? N1 ADP C1001 >HIS.C 50 -36.38 48.00 21.35 -37.79 46.44 21.40 -37.08 47.22 21.38 3 0 17.04 -999 ? O2' ADP C1001 >GLY~C 53 -29.67 44.87 17.26 -30.14 45.11 17.88 -29.91 44.99 17.57 1 0 15.49 -999 ? N6 ADP C1001 >ASP~C 54 -29.26 47.42 21.46 -29.58 49.13 20.24 -29.42 48.27 20.85 2 0 20.12 -999 ? N1 ADP C1001 >LEU~C 55 -30.41 42.77 23.50 -31.26 43.18 25.42 -30.83 42.97 24.46 3 0 15.31 -999 ? C2 ADP C1001 >PRO~C 56 -29.27 40.71 19.48 -27.80 41.34 20.99 -28.54 41.03 20.23 3 0 12.62 -999 ? N1 ADP C1001 >ASN~C 57 -24.16 44.44 19.70 -24.30 44.19 17.59 -24.23 44.31 18.65 2 0 16.68 -999 ? N6 ADP C1001 >PHE~C 58 -25.26 43.99 26.49 -25.09 43.67 29.27 -25.17 43.83 27.88 3 0 19.35 -999 ? C2 ADP C1001 >ILE~C 59 -25.26 38.92 24.31 -26.26 38.42 24.64 -25.76 38.67 24.48 3 0 13.60 -999 ? N1 ADP C1001 >LYS~C 60 -21.36 39.39 22.00 -17.64 41.95 19.02 -19.50 40.67 20.51 2 0 19.47 -999 ? N6 ADP C1001 >ASP~C 61 -20.25 43.54 24.10 -19.06 45.03 24.94 -19.65 44.29 24.52 2 0 22.05 -999 ? N1 ADP C1001 >HIS~C 62 -20.79 41.45 28.58 -20.89 43.35 29.47 -20.84 42.40 29.02 3 0 21.13 -999 ? N1 ADP C1001 >GLY.C 63 -18.24 37.08 25.10 -19.00 37.10 25.28 -18.62 37.09 25.19 1 0 18.10 -999 ? N1 ADP C1001 >ALA.C 64 -21.29 34.81 25.43 -22.58 35.15 26.14 -21.93 34.98 25.79 2 0 14.62 -999 ? N1 ADP C1001 >LYS.C 65 -21.73 32.18 22.71 -16.79 33.08 21.29 -19.26 32.63 22.00 2 0 16.76 -999 ? N1 ADP C1001 >ILE^C 66 -24.99 29.27 24.19 -24.73 28.44 23.74 -24.86 28.86 23.96 3 0 10.31 -999 ? C2 ADP C1001 >VAL^C 67 -28.14 32.53 25.22 -28.41 34.64 24.67 -28.27 33.58 24.94 3 0 9.52 -999 ? C2 ADP C1001 >LEU^C 68 -30.63 29.87 28.30 -29.34 28.10 28.18 -29.98 28.99 28.24 3 0 10.60 -999 ? C2 ADP C1001 >THR.C 69 -34.19 32.67 26.93 -33.84 33.77 25.09 -34.02 33.22 26.01 2 0 8.25 -999 ? C2 ADP C1001 >TYR.C 70 -40.11 31.99 28.67 -42.64 30.90 28.52 -41.37 31.44 28.60 3 0 10.33 -999 ? O3' ADP C1001 >GLY.C 71 -39.43 34.32 24.82 -38.66 34.55 25.11 -39.05 34.43 24.96 1 0 8.01 -999 ? O2' ADP C1001 >ILE.C 72 -36.14 35.80 22.16 -34.87 35.47 21.60 -35.51 35.63 21.88 3 0 7.13 -999 ? O2' ADP C1001 >GLY~C 73 -38.52 37.92 18.83 -37.81 37.51 18.99 -38.17 37.72 18.91 1 0 7.38 -999 ? O2' ADP C1001 >ARG~C 74 -39.58 36.65 12.40 -39.71 35.25 9.68 -39.65 35.95 11.04 2 0 5.25 -999 ? O1B ADP C1001 >ARG~C 75 -38.47 40.65 15.33 -40.88 39.19 16.61 -39.68 39.92 15.97 2 0 8.05 -999 ? O3B ADP C1001 >ALA~C 76 -33.23 39.13 17.66 -33.80 39.24 19.09 -33.51 39.19 18.38 2 0 9.90 -999 ? O2' ADP C1001 >ILE~C 77 -33.73 34.29 16.63 -34.49 33.10 16.80 -34.11 33.70 16.72 3 0 -4.40 -999 ? C6 ADP C1001s >GLU~C 78 -33.42 36.31 11.72 -34.81 37.44 10.59 -34.11 36.88 11.15 2 0 9.17 -999 ? N6 ADP C1001 >TYR~C 79 -29.67 41.42 14.91 -30.18 43.90 13.55 -29.93 42.66 14.23 3 0 13.12 -999 ? N6 ADP C1001 >PHE~C 80 -28.50 36.34 19.61 -28.58 37.64 22.04 -28.54 36.99 20.83 3 0 9.30 -999 ? N1 ADP C1001 >ASN~C 81 -28.27 33.11 13.90 -29.33 31.68 15.09 -28.80 32.39 14.50 2 0 -3.50 -999 ? N6 ADP C1001s >SER~C 82 -25.49 36.24 12.26 -26.11 38.47 12.83 -25.80 37.36 12.54 2 0 10.86 -999 ? N6 ADP C1001 >LEU~C 83 -23.31 37.75 16.31 -23.61 39.91 16.28 -23.46 38.83 16.30 3 0 12.70 -999 ? N6 ADP C1001 >GLY.C 84 -22.35 33.13 15.48 -22.85 33.59 15.97 -22.60 33.36 15.72 1 0 10.47 -999 ? N6 ADP C1001 >ILE.C 85 -24.56 34.31 19.55 -24.20 35.15 20.44 -24.38 34.73 20.00 3 0 10.18 -999 ? N1 ADP C1001 >SER^C 86 -26.83 30.24 19.36 -25.45 28.48 18.57 -26.14 29.36 18.97 2 0 7.39 -999 ? N1 ADP C1001 >VAL^C 87 -30.15 30.68 21.12 -31.14 32.60 20.61 -30.64 31.64 20.86 3 0 -4.52 -999 ? C2 ADP C1001s >VAL^C 88 -32.41 28.41 23.16 -31.73 26.52 24.08 -32.07 27.46 23.62 3 0 5.84 -999 ? C2 ADP C1001 >THR.C 89 -36.03 29.56 23.55 -36.59 29.86 21.42 -36.31 29.71 22.49 2 0 3.96 -999 ? N3 ADP C1001 >GLY.C 90 -38.81 28.40 25.98 -38.10 28.54 26.21 -38.46 28.47 26.10 1 0 7.38 -999 ? O3' ADP C1001 >VAL.C 91 -36.49 28.15 29.02 -34.25 27.86 28.89 -35.37 28.00 28.95 3 0 10.93 -999 ? N3 ADP C1001 >TYR.C 92 -39.98 27.63 32.25 -40.82 24.99 32.44 -40.40 26.31 32.35 3 0 13.82 -999 ? O3' ADP C1001 >GLY.C 93 -37.56 29.10 36.07 -37.16 29.70 35.68 -37.36 29.40 35.87 1 0 17.53 -999 ? O3' ADP C1001 >ARG~C 94 -33.86 30.07 42.29 -36.45 31.77 42.05 -35.15 30.92 42.17 2 0 23.82 -999 ? O3' ADP C1001 >ILE~C 95 -30.87 31.92 36.50 -30.49 32.94 35.56 -30.68 32.43 36.03 3 0 18.30 -999 ? C2 ADP C1001 >SER~C 96 -29.63 28.34 39.20 -30.85 27.83 41.24 -30.24 28.08 40.22 2 0 23.21 -999 ? C2 ADP C1001 >ASP~C 97 -33.31 25.31 38.38 -33.83 25.06 40.38 -33.57 25.19 39.38 2 0 22.56 -999 ? C2 ADP C1001 >VAL~C 98 -31.65 26.19 34.49 -32.56 27.76 33.27 -32.10 26.98 33.88 3 0 15.88 -999 ? C2 ADP C1001 >ILE~C 99 -26.96 26.97 35.61 -26.04 27.90 35.79 -26.50 27.44 35.70 3 0 18.89 -999 ? C2 ADP C1001 >LYS~C 100 -28.01 22.62 36.30 -24.43 24.45 38.49 -26.22 23.54 37.39 2 0 22.69 -999 ? C2 ADP C1001 >ALA~C 101 -30.45 21.41 33.63 -31.85 21.94 33.44 -31.15 21.67 33.54 2 0 16.96 -999 ? C2 ADP C1001 >PHE~C 102 -27.04 24.57 29.49 -25.53 25.11 27.17 -26.28 24.84 28.33 3 0 13.13 -999 ? C2 ADP C1001 >ILE~C 103 -24.39 21.54 33.19 -23.55 22.06 33.80 -23.97 21.80 33.50 3 0 19.44 -999 ? C2 ADP C1001 >GLY~C 104 -26.97 17.89 32.56 -27.17 18.36 31.87 -27.07 18.12 32.22 1 0 19.40 -999 ? C2 ADP C1001 >GLY.C 105 -28.59 18.07 29.12 -28.98 18.05 29.83 -28.78 18.06 29.47 1 0 16.33 -999 ? C2 ADP C1001 >LYS.C 106 -32.20 18.25 30.35 -29.71 15.02 34.83 -30.95 16.63 32.59 2 0 22.18 -999 ? C2 ADP C1001 >LEU.C 107 -33.28 22.68 28.75 -31.74 24.21 28.75 -32.51 23.44 28.75 3 0 12.06 -999 ? C2 ADP C1001 >LYS.C 108 -37.26 21.98 30.89 -34.43 24.41 31.94 -35.85 23.20 31.41 2 0 14.57 -999 ? N3 ADP C1001 >ILE.C 109 -38.02 23.33 26.43 -37.19 24.19 25.39 -37.61 23.76 25.91 3 0 9.05 -999 ? O3' ADP C1001 >ASP.C 110 -42.40 26.72 28.14 -44.45 27.16 28.23 -43.42 26.94 28.18 2 0 10.54 -999 ? O3' ADP C1001 >TYR.C 111 -42.34 21.68 23.98 -40.45 19.79 24.70 -41.40 20.74 24.34 3 0 9.78 -999 ? O3' ADP C1001 >ASP.C 112 -47.22 26.04 24.41 -47.86 24.10 23.79 -47.54 25.07 24.10 2 0 10.30 -999 ? O3' ADP C1001 >TRP.C 113 -41.02 28.74 23.55 -40.73 32.19 21.60 -40.88 30.46 22.57 3 0 -4.31 -999 ? O3' ADP C1001s >LYS.C 114 -44.82 31.28 21.50 -43.38 31.47 16.20 -44.10 31.37 18.85 2 0 -2.76 -999 ? O3B ADP C1001s >GLU.C 115 -50.58 33.44 21.57 -49.74 35.49 21.49 -50.16 34.46 21.53 2 0 11.76 -999 ? O3B ADP C1001 >LYS.C 116 -48.64 32.02 26.16 -47.11 28.29 30.57 -47.87 30.15 28.36 2 0 13.74 -999 ? O3' ADP C1001 >MET.D 1 -10.96 44.96 19.94 -8.41 48.13 20.50 -9.68 46.55 20.22 2 0 30.61 -999 ? N6 ADP C1001 >ARG^D 2 -16.51 45.11 16.54 -19.16 44.24 15.23 -17.83 44.67 15.89 2 0 19.52 -999 ? N6 ADP C1001 >VAL^D 3 -12.67 50.02 16.10 -10.57 50.71 15.96 -11.62 50.37 16.03 3 0 29.18 -999 ? N6 ADP C1001 >ALA^D 4 -15.17 52.28 14.24 -16.54 52.72 14.92 -15.86 52.50 14.58 2 0 27.82 -999 ? N6 ADP C1001 >ILE^D 5 -13.16 54.16 10.43 -11.78 53.86 10.07 -12.47 54.01 10.25 3 0 31.64 -999 ? N6 ADP C1001 >PRO^D 6 -15.67 58.78 11.08 -16.34 56.73 10.25 -16.00 57.76 10.66 3 0 32.64 -999 ? N6 ADP C1001 >ALA^D 7 -16.88 56.61 6.05 -17.27 55.26 5.42 -17.08 55.93 5.73 2 0 31.06 -999 ? N6 ADP C1001 >GLU.D 8 -15.71 59.79 2.00 -14.33 61.02 0.98 -15.02 60.41 1.49 2 0 38.64 -999 ? N6 ADP C1001 >ASP.D 9 -19.16 57.73 -0.10 -17.18 57.13 -0.55 -18.17 57.43 -0.33 2 0 34.87 -999 ? N6 ADP C1001 >ASP.D 10 -22.28 53.80 0.05 -22.17 54.33 -2.00 -22.23 54.06 -0.97 2 0 31.49 -999 ? N6 ADP C1001 >ARG~D 11 -15.91 54.83 -3.29 -13.93 57.19 -3.15 -14.92 56.01 -3.22 2 0 37.61 -999 ? N6 ADP C1001 >GLY~D 12 -16.72 51.02 2.91 -16.29 51.55 2.48 -16.50 51.29 2.69 1 0 28.94 -999 ? N6 ADP C1001 >ILE~D 13 -12.56 48.66 3.33 -11.33 48.00 4.07 -11.94 48.33 3.70 3 0 29.72 -999 ? N6 ADP C1001 >LYS~D 14 -12.53 51.88 -0.15 -12.30 47.61 -3.60 -12.41 49.74 -1.88 2 0 32.56 -999 ? N6 ADP C1001 >SER~D 15 -14.05 55.07 1.32 -15.85 56.53 2.06 -14.95 55.80 1.69 2 0 33.93 -999 ? N6 ADP C1001 >ASN.D 16 -11.62 59.03 2.34 -10.83 58.47 0.52 -11.22 58.75 1.43 2 0 38.61 -999 ? N6 ADP C1001 >VAL.D 17 -12.38 58.83 6.66 -11.07 58.60 8.38 -11.72 58.71 7.52 3 0 36.25 -999 ? N6 ADP C1001 >SER.D 18 -15.27 61.31 6.78 -16.76 61.07 8.60 -16.01 61.19 7.69 2 0 35.50 -999 ? N6 ADP C1001 >LYS.D 19 -14.01 64.85 7.32 -9.19 66.73 4.57 -11.60 65.79 5.94 2 0 44.78 -999 ? N6 ADP C1001 >HIS.D 20 -17.65 67.63 8.70 -17.05 69.61 8.40 -17.35 68.62 8.55 3 0 42.10 -999 ? N6 ADP C1001 >PHE.D 21 -18.15 61.60 14.21 -19.50 59.60 15.67 -18.83 60.60 14.94 3 0 33.63 -999 ? N6 ADP C1001 >GLY.D 22 -21.83 63.53 12.51 -21.57 63.23 11.74 -21.70 63.38 12.13 1 0 35.41 -999 ? N6 ADP C1001 >ARG.D 23 -21.76 67.41 8.31 -21.73 70.32 9.28 -21.75 68.86 8.80 2 0 42.28 -999 ? N6 ADP C1001 >SER.D 24 -21.41 60.30 8.38 -19.94 58.41 8.67 -20.68 59.35 8.52 2 0 31.80 -999 ? N6 ADP C1001 >ARG.D 25 -26.42 60.33 5.19 -27.57 62.82 3.77 -26.99 61.57 4.48 2 0 35.20 -999 ? N6 ADP C1001 >TYR^D 26 -22.48 54.16 4.72 -24.58 53.78 2.92 -23.53 53.97 3.82 3 0 28.03 -999 ? N6 ADP C1001 >PHE^D 27 -19.87 54.80 11.53 -19.94 57.47 12.38 -19.91 56.14 11.96 3 0 29.27 -999 ? N6 ADP C1001 >VAL^D 28 -16.76 50.64 9.02 -15.30 50.60 7.46 -16.03 50.62 8.24 3 0 27.26 -999 ? N6 ADP C1001 >PHE^D 29 -18.44 48.91 13.36 -20.46 50.71 14.19 -19.45 49.81 13.77 3 0 23.81 -999 ? N6 ADP C1001 >VAL^D 30 -12.90 46.59 12.22 -11.32 47.46 11.02 -12.11 47.03 11.62 3 0 26.73 -999 ? N6 ADP C1001 >ASP^D 31 -13.15 42.40 14.58 -15.11 42.76 15.19 -14.13 42.58 14.89 2 0 21.52 -999 ? N6 ADP C1001 >ILE^D 32 -7.85 44.97 15.51 -7.06 45.97 14.92 -7.45 45.47 15.22 3 0 29.36 -999 ? N6 ADP C1001 >GLU^D 33 -9.58 39.62 17.74 -10.11 39.83 19.83 -9.85 39.73 18.79 2 0 24.81 -999 ? N6 ADP C1001 >GLY.D 34 -3.44 40.17 17.98 -3.83 40.71 17.51 -3.64 40.44 17.75 1 0 30.79 -999 ? N6 ADP C1001 >GLU.D 35 -1.41 44.17 17.18 -1.59 46.26 17.19 -1.50 45.22 17.18 2 0 34.89 -999 ? N6 ADP C1001 >ASP^D 36 -4.58 39.61 12.64 -2.59 38.96 12.51 -3.58 39.29 12.58 2 0 31.16 -999 ? N6 ADP C1001 >VAL^D 37 -8.01 42.15 11.20 -8.53 43.67 9.78 -8.27 42.91 10.49 3 0 27.71 -999 ? N6 ADP C1001 >LYS^D 38 -10.44 39.35 12.00 -7.01 36.04 14.36 -8.72 37.70 13.18 2 0 26.03 -999 ? N6 ADP C1001 >ASN^D 39 -14.81 40.52 11.20 -15.13 38.43 11.40 -14.97 39.48 11.30 2 0 19.52 -999 ? N6 ADP C1001 >VAL^D 40 -14.64 43.98 8.50 -13.88 44.76 6.52 -14.26 44.37 7.51 3 0 24.34 -999 ? N6 ADP C1001 >GLU^D 41 -19.13 44.82 10.40 -20.77 44.03 11.36 -19.95 44.42 10.88 2 0 18.65 -999 ? N6 ADP C1001 >VAL^D 42 -19.91 48.50 7.10 -20.30 49.35 5.10 -20.10 48.92 6.10 3 0 24.34 -999 ? N6 ADP C1001 >VAL^D 43 -23.17 49.47 8.72 -22.77 48.89 10.83 -22.97 49.18 9.78 3 0 22.13 -999 ? N6 ADP C1001 >GLU^D 44 -26.92 53.16 5.77 -28.08 52.58 4.08 -27.50 52.87 4.92 2 0 25.61 -999 ? N6 ADP C1001 >VAL.D 45 -26.52 54.77 10.29 -25.43 56.49 11.10 -25.98 55.63 10.70 3 0 26.95 -999 ? N6 ADP C1001 >PRO.D 46 -29.75 52.47 12.33 -29.56 54.01 10.65 -29.65 53.24 11.49 3 0 23.87 -999 ? N6 ADP C1001 >PHE.D 47 -29.38 57.47 13.70 -28.51 55.69 15.67 -28.94 56.58 14.68 3 0 27.02 -999 ? N6 ADP C1001 >GLY.D 51 -29.93 64.41 19.47 -29.53 63.99 18.88 -29.73 64.20 19.18 1 0 34.90 -999 ? O2' ADP C1001 >PRO.D 52 -26.75 66.59 21.60 -26.93 64.71 20.29 -26.84 65.65 20.95 3 0 36.78 -999 ? N6 ADP C1001 >GLY~D 53 -26.31 61.10 21.77 -26.62 61.15 20.99 -26.47 61.12 21.38 1 0 32.56 -999 ? N1 ADP C1001 >ASP~D 54 -28.33 59.98 17.64 -30.29 60.47 18.21 -29.31 60.22 17.92 2 0 30.93 -999 ? N6 ADP C1001 >LEU~D 55 -23.53 59.43 16.08 -23.55 59.56 13.92 -23.54 59.49 15.00 3 0 30.98 -999 ? N6 ADP C1001 >PRO~D 56 -22.96 59.96 20.88 -22.69 58.09 19.62 -22.82 59.03 20.25 3 0 31.20 -999 ? N6 ADP C1001 >ASN~D 57 -26.50 55.76 21.71 -26.74 56.60 23.67 -26.62 56.18 22.69 2 0 28.49 -999 ? N1 ADP C1001 >PHE~D 58 -24.99 53.85 15.24 -24.47 52.34 12.98 -24.73 53.10 14.11 3 0 24.52 -999 ? N6 ADP C1001 >ILE~D 59 -20.30 54.25 17.65 -19.56 54.69 16.84 -19.93 54.47 17.24 3 0 27.70 -999 ? N6 ADP C1001 >LYS~D 60 -21.35 51.92 21.59 -25.15 52.63 26.23 -23.25 52.28 23.91 2 0 25.96 -999 ? N1 ADP C1001 >ASP~D 61 -25.68 50.03 20.54 -26.38 51.13 22.17 -26.03 50.58 21.36 2 0 23.08 -999 ? N1 ADP C1001 >HIS.D 62 -23.21 48.47 15.79 -25.03 48.41 14.73 -24.12 48.44 15.26 3 0 20.37 -999 ? N6 ADP C1001 >GLY.D 63 -19.39 47.07 20.40 -19.28 47.74 19.95 -19.33 47.40 20.17 1 0 22.25 -999 ? N6 ADP C1001 >ALA.D 64 -16.76 49.68 19.26 -17.00 50.74 18.25 -16.88 50.21 18.76 2 0 26.15 -999 ? N6 ADP C1001 >LYS.D 65 -14.21 50.71 21.89 -14.80 46.21 24.73 -14.51 48.46 23.31 2 0 25.59 -999 ? N1 ADP C1001 >ILE^D 66 -10.85 52.74 19.54 -9.57 52.53 19.68 -10.21 52.64 19.61 3 0 32.11 -999 ? N6 ADP C1001 >VAL^D 67 -13.34 55.65 17.08 -15.39 56.51 17.07 -14.36 56.08 17.07 3 0 31.89 -999 ? N6 ADP C1001 >LEU^D 68 -10.17 55.90 13.54 -8.92 54.46 14.54 -9.55 55.18 14.04 3 0 34.10 -999 ? N6 ADP C1001 >THR.D 69 -11.97 60.08 12.90 -13.39 61.48 13.64 -12.68 60.78 13.27 2 0 36.92 -999 ? N6 ADP C1001 >TYR.D 70 -10.19 64.81 9.49 -8.66 67.08 8.77 -9.43 65.95 9.13 3 0 43.17 -999 ? N6 ADP C1001 >GLY.D 71 -13.14 65.99 12.80 -13.46 65.22 12.77 -13.30 65.61 12.78 1 0 41.01 -999 ? N6 ADP C1001 >ILE.D 72 -15.37 64.25 16.20 -15.08 63.56 17.46 -15.23 63.91 16.83 3 0 38.20 -999 ? N6 ADP C1001 >GLY~D 73 -17.60 67.96 17.85 -17.21 67.25 18.06 -17.41 67.61 17.95 1 0 41.01 -999 ? N6 ADP C1001 >ARG~D 74 -14.99 70.93 23.88 -12.45 72.65 23.28 -13.72 71.79 23.58 2 0 47.97 -999 ? N6 ADP C1001 >ARG~D 75 -22.47 67.51 24.43 -22.92 70.53 24.84 -22.69 69.02 24.64 2 0 42.87 -999 ? N1 ADP C1001 >ALA~D 76 -19.66 63.86 20.66 -19.53 63.75 19.22 -19.60 63.80 19.94 2 0 36.53 -999 ? N6 ADP C1001 >ILE~D 77 -14.90 64.28 22.13 -13.67 64.71 21.75 -14.29 64.49 21.94 3 0 39.72 -999 ? N6 ADP C1001 >GLU~D 78 -17.63 66.44 26.22 -18.72 68.28 26.46 -18.17 67.36 26.34 2 0 42.25 -999 ? N1 ADP C1001 >TYR~D 79 -22.76 62.70 24.87 -24.61 64.61 25.82 -23.68 63.66 25.35 3 0 36.26 -999 ? N1 ADP C1001 >PHE~D 80 -17.84 58.74 21.22 -19.00 58.24 18.75 -18.42 58.49 19.99 3 0 32.28 -999 ? N6 ADP C1001 >ASN~D 81 -15.08 60.44 27.09 -13.56 60.92 25.66 -14.32 60.68 26.37 2 0 37.73 -999 ? N1 ADP C1001 >SER~D 82 -18.91 58.91 29.15 -19.67 61.09 29.56 -19.29 60.00 29.35 2 0 36.34 -999 ? N1 ADP C1001 >LEU~D 83 -20.34 55.62 25.89 -22.42 55.96 25.40 -21.38 55.79 25.64 3 0 29.84 -999 ? N1 ADP C1001 >GLY.D 84 -16.24 54.50 27.95 -16.49 54.77 27.19 -16.37 54.64 27.57 1 0 31.79 -999 ? N1 ADP C1001 >ILE.D 85 -16.27 55.03 23.17 -17.01 54.41 22.13 -16.64 54.72 22.65 3 0 30.37 -999 ? N1 ADP C1001 >SER^D 86 -12.04 56.90 23.17 -10.44 55.07 22.97 -11.24 55.99 23.07 2 0 34.36 -999 ? N1 ADP C1001 >VAL^D 87 -11.74 58.89 19.96 -13.53 60.03 19.44 -12.63 59.46 19.70 3 0 35.91 -999 ? N6 ADP C1001 >VAL^D 88 -8.68 59.59 17.79 -7.12 58.08 17.33 -7.90 58.83 17.56 3 0 38.01 -999 ? N6 ADP C1001 >THR.D 89 -8.88 62.80 15.73 -9.19 64.25 17.31 -9.04 63.53 16.52 2 0 41.56 -999 ? N6 ADP C1001 >GLY.D 90 -6.85 64.14 12.73 -7.19 63.41 12.73 -7.02 63.78 12.73 1 0 42.80 -999 ? N6 ADP C1001 >VAL.D 91 -7.01 60.72 10.97 -7.36 58.77 12.00 -7.18 59.75 11.49 3 0 39.23 -999 ? N6 ADP C1001 >TYR.D 92 -5.36 62.57 6.57 -2.60 62.73 6.26 -3.98 62.65 6.42 3 0 44.20 -999 ? N6 ADP C1001 >GLY.D 93 -7.15 59.04 4.03 -7.87 58.92 4.42 -7.51 58.98 4.23 1 0 40.08 -999 ? N6 ADP C1001 >ARG~D 94 -8.09 53.40 -0.40 -7.97 50.74 -1.98 -8.03 52.07 -1.19 2 0 36.27 -999 ? N6 ADP C1001 >ILE~D 95 -11.48 53.30 5.41 -12.70 53.30 6.27 -12.09 53.30 5.84 3 0 32.29 -999 ? N6 ADP C1001 >SER~D 96 -7.94 50.51 4.13 -7.42 50.59 1.75 -7.68 50.55 2.94 2 0 34.99 -999 ? N6 ADP C1001 >ASP~D 97 -4.34 53.74 3.65 -4.01 53.36 1.58 -4.17 53.55 2.62 2 0 39.15 -999 ? N6 ADP C1001 >VAL~D 98 -5.69 53.69 7.95 -6.96 55.30 8.57 -6.33 54.50 8.26 3 0 36.45 -999 ? N6 ADP C1001 >ILE~D 99 -7.31 49.11 8.44 -8.26 48.95 9.46 -7.79 49.03 8.95 3 0 31.71 -999 ? N6 ADP C1001 >LYS~D 100 -3.04 48.91 8.43 1.31 48.12 4.91 -0.87 48.51 6.67 2 0 39.55 -999 ? N6 ADP C1001 >ALA~D 101 -1.43 52.13 9.74 -1.61 53.51 9.15 -1.52 52.82 9.44 2 0 39.20 -999 ? N6 ADP C1001 >PHE~D 102 -5.47 51.33 14.45 -6.43 50.98 17.07 -5.95 51.15 15.76 3 0 33.92 -999 ? N6 ADP C1001 >ILE~D 103 -2.64 46.97 12.27 -3.22 45.97 11.98 -2.93 46.47 12.13 3 0 33.87 -999 ? N6 ADP C1001 >GLY~D 104 1.45 49.17 12.44 0.89 49.55 12.90 1.17 49.36 12.67 1 0 38.97 -999 ? N6 ADP C1001 >GLY.D 105 1.03 51.79 15.18 0.84 51.88 14.37 0.94 51.83 14.78 1 0 39.91 -999 ? N6 ADP C1001 >LYS.D 106 1.94 54.62 12.82 6.05 51.27 9.45 3.99 52.95 11.14 2 0 44.27 -999 ? N6 ADP C1001 >LEU.D 107 -2.41 56.94 13.05 -4.10 55.72 13.30 -3.25 56.33 13.18 3 0 39.37 -999 ? N6 ADP C1001 >LYS.D 108 -0.82 59.67 9.89 3.99 59.45 8.43 1.58 59.56 9.16 2 0 47.30 -999 ? N6 ADP C1001 >ILE.D 109 -2.12 62.38 13.45 -3.38 61.83 14.02 -2.75 62.11 13.74 3 0 43.79 -999 ? N6 ADP C1001 >ASP.D 110 -3.52 66.57 9.69 -1.94 67.67 8.60 -2.73 67.12 9.14 2 0 48.95 -999 ? N6 ADP C1001 >TYR.D 111 -0.39 66.61 15.04 1.31 64.37 15.18 0.46 65.49 15.11 3 0 48.44 -999 ? N6 ADP C1001 >ASP.D 112 -3.02 71.97 12.29 -1.27 72.40 13.41 -2.14 72.19 12.85 2 0 52.73 -999 ? N6 ADP C1001 >TRP.D 113 -7.24 67.37 14.19 -10.84 68.18 15.49 -9.04 67.77 14.84 3 0 44.54 -999 ? N6 ADP C1001 >LYS.D 114 -9.33 71.95 14.33 -7.85 74.07 18.29 -8.59 73.01 16.31 2 0 50.69 -999 ? N6 ADP C1001