REMARK SOURCE hebe.pdb HEADER STRUCTURAL GENOMICS, UNKNOWN FUNCTION 22-SEP-07 2RDE COMPND UNCHARACTERIZED PROTEIN VCA0042; COMPND 3 CHAIN: A, B; COMPND 4 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: VIBRIO CHOLERAE; SOURCE 3 ORGANISM_TAXID: 345073; SOURCE 4 STRAIN: O395; SOURCE 5 GENE: VCA0042, VC0395_0091; SOURCE 6 EXPRESSION_SYSTEM: ESCHERICHIA COLI BL21(DE3); SOURCE 7 EXPRESSION_SYSTEM_TAXID: 469008; SOURCE 8 EXPRESSION_SYSTEM_STRAIN: BL21(DE3); SOURCE 9 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID; SOURCE 10 EXPRESSION_SYSTEM_PLASMID: PET28B AUTHOR J.BENACH,S.S.SWAMINATHAN,R.TAMAYO,J.SEETHARAMAN,S.HANDELMAN, AUTHOR 2 F.FOROUHAR,H.NEELY,A.CAMILLI,J.F.HUNT,NORTHEAST STRUCTURAL GENOMICS AUTHOR 3 CONSORTIUM (NESG) HET C2E A 301 46 HET C2E B 301 46 SITE 1 AC1 27 LEU A 135 ARG A 136 LYS A 137 ARG A 140 SITE 1 AC2 28 LEU B 135 ARG B 136 LYS B 137 ARG B 140 >VAL.A 24 16.49 -7.31 -11.95 17.83 -8.33 -10.57 17.16 -7.82 -11.26 3 0 14.97 -999 ? O4A C2E A 301 >SER^A 25 16.40 -3.50 -11.65 14.86 -3.23 -13.52 15.63 -3.37 -12.59 2 0 17.41 -999 ? C81 C2E A 301 >THR^A 26 18.04 -1.07 -9.24 20.14 -1.00 -8.72 19.09 -1.03 -8.98 2 0 21.35 -999 ? C61 C2E A 301 >ILE^A 27 14.39 1.54 -8.05 13.23 0.74 -8.17 13.81 1.14 -8.11 3 0 18.26 -999 ? O61 C2E A 301 >ASN^A 28 15.77 5.79 -5.14 13.72 6.29 -5.09 14.75 6.04 -5.12 2 0 20.35 -999 ? O6 C2E B 301 >SER~A 29 15.02 3.06 -1.55 17.13 2.40 -0.57 16.07 2.73 -1.06 2 0 21.07 -999 ? N11 C2E A 301 >THR~A 30 12.18 5.53 -1.07 11.95 7.63 -0.66 12.07 6.58 -0.87 2 0 18.62 -999 ? O61 C2E B 301 >ASP~A 31 10.86 4.60 -5.63 10.78 6.65 -6.14 10.82 5.63 -5.88 2 0 17.49 -999 ? O6 C2E B 301 >ALA~A 32 11.16 0.68 -3.53 12.55 0.08 -3.37 11.85 0.38 -3.45 2 0 16.18 -999 ? O61 C2E A 301 >LEU~A 33 10.50 1.44 1.21 12.15 0.60 2.32 11.32 1.02 1.77 3 0 17.23 -999 ? O61 C2E A 301 >ALA~A 34 6.73 2.57 -1.21 6.74 3.77 -2.14 6.74 3.17 -1.68 2 0 15.42 -999 ? O61 C2E B 301 >MET~A 35 5.85 -0.67 -3.01 8.30 -1.29 -6.34 7.07 -0.98 -4.67 2 0 13.04 -999 ? O61 C2E A 301 >VAL.A 36 5.86 -2.50 0.32 7.62 -3.49 1.11 6.74 -3.00 0.71 3 0 11.59 -999 ? O61 C2E A 301 >GLU.A 37 0.90 -3.13 0.80 -0.70 -4.43 0.36 0.10 -3.78 0.58 2 0 10.20 -999 ? O61 C2E A 301 >HIS.A 38 1.46 -0.40 7.20 -0.57 -0.26 7.72 0.45 -0.33 7.46 3 0 16.46 -999 ? O61 C2E B 301 >SER.A 39 2.88 -4.86 8.38 1.14 -3.61 9.53 2.01 -4.24 8.96 2 0 16.45 -999 ? O61 C2E A 301 >SER.A 40 3.90 -7.17 5.51 5.27 -5.92 3.90 4.59 -6.55 4.70 2 0 10.73 -999 ? O61 C2E A 301 >GLU^A 41 7.09 -12.35 6.79 6.46 -14.38 6.77 6.78 -13.37 6.78 2 0 8.66 -999 ? N21 C2E A 301 >LEU^A 42 10.87 -8.22 6.27 10.70 -6.16 5.65 10.78 -7.19 5.96 3 0 12.41 -999 ? N21 C2E A 301 >THR^A 43 12.75 -12.19 5.35 12.59 -13.99 4.18 12.67 -13.09 4.76 2 0 9.03 -999 ? N21 C2E A 301 >LEU^A 44 15.92 -10.77 8.59 14.95 -8.93 9.17 15.44 -9.85 8.88 3 0 15.36 -999 ? N21 C2E A 301 >SER^A 45 19.13 -13.30 6.25 18.28 -14.32 4.23 18.70 -13.81 5.24 2 0 13.73 -999 ? N21 C2E A 301 >ILE^A 46 21.42 -12.24 10.32 21.04 -11.47 11.47 21.23 -11.85 10.89 3 0 20.17 -999 ? N21 C2E A 301 >THR^A 47 25.51 -12.99 8.45 26.36 -13.29 6.49 25.94 -13.14 7.47 2 0 22.10 -999 ? N21 C2E A 301 >THR.A 48 27.62 -12.76 11.61 27.36 -14.59 12.73 27.49 -13.67 12.17 2 0 25.84 -999 ? N21 C2E A 301 >PRO.A 49 30.42 -10.17 13.53 30.52 -11.62 11.84 30.47 -10.89 12.69 3 0 28.82 -999 ? N21 C2E A 301 >VAL.A 50 32.49 -15.01 11.32 32.14 -15.93 13.26 32.31 -15.47 12.29 3 0 29.84 -999 ? N21 C2E A 301 >GLY.A 51 30.17 -16.06 8.50 29.85 -16.19 9.20 30.01 -16.13 8.85 1 0 26.27 -999 ? N21 C2E A 301 >THR.A 52 27.49 -18.11 10.27 27.95 -18.15 12.39 27.72 -18.13 11.33 2 0 26.25 -999 ? N21 C2E A 301 >LYS^A 53 24.14 -17.55 8.54 24.93 -16.56 3.33 24.53 -17.06 5.93 2 0 19.63 -999 ? N21 C2E A 301 >PHE^A 54 19.69 -16.80 12.43 17.45 -17.09 14.05 18.57 -16.94 13.24 3 0 19.63 -999 ? N21 C2E A 301 >VAL^A 55 17.30 -16.59 8.51 16.97 -17.05 6.41 17.13 -16.82 7.46 3 0 14.52 -999 ? N21 C2E A 301 >CYH^A 56 14.08 -15.43 10.17 15.14 -13.33 11.76 14.61 -14.38 10.96 2 0 16.49 -999 ? N21 C2E A 301 >ARG^A 57 10.26 -15.76 6.84 9.68 -16.90 4.07 9.97 -16.33 5.46 2 0 7.03 -999 ? N21 C2E A 301 >THR^A 58 9.36 -10.55 10.87 10.66 -9.09 11.81 10.01 -9.82 11.34 2 0 15.78 -999 ? N21 C2E A 301 >PRO^A 59 5.45 -9.11 11.74 7.13 -8.38 10.47 6.29 -8.75 11.10 3 0 14.60 -999 ? N21 C2E A 301 >PHE^A 60 7.85 -3.00 6.49 8.28 -0.45 5.43 8.06 -1.73 5.96 3 0 15.77 -999 ? N11 C2E A 301 >ILE^A 61 7.19 -1.23 11.98 7.11 -1.03 13.41 7.15 -1.13 12.69 3 0 20.52 -999 ? N21 C2E A 301 >GLY^A 62 7.60 1.25 8.50 8.28 1.00 8.94 7.94 1.12 8.72 1 0 19.40 -999 ? O61 C2E A 301 >THR^A 63 10.28 3.87 8.02 10.33 3.89 5.86 10.31 3.88 6.94 2 0 19.64 -999 ? O61 C2E B 301 >HIS^A 64 11.95 7.99 12.22 11.86 9.83 13.23 11.91 8.91 12.73 3 0 21.50 -999 ? N21 C2E B 301 >THR.A 65 12.12 9.75 7.64 13.14 10.86 9.19 12.63 10.30 8.41 2 0 20.67 -999 ? N21 C2E B 301 >ASP.A 66 15.60 9.37 4.44 16.85 10.89 5.23 16.22 10.13 4.84 2 0 23.33 -999 ? N21 C2E B 301 >LYS.A 67 17.01 7.43 8.57 15.28 11.70 10.44 16.15 9.57 9.51 2 0 22.91 -999 ? N21 C2E B 301 >PHE^A 68 16.81 4.55 11.83 19.10 5.50 13.06 17.96 5.02 12.45 3 0 27.78 -999 ? N21 C2E A 301 >LEU^A 69 14.37 -0.10 7.63 13.28 -1.64 6.58 13.82 -0.87 7.10 3 0 18.92 -999 ? N21 C2E A 301 >LEU^A 70 10.68 0.68 12.25 11.24 2.69 12.80 10.96 1.69 12.53 3 0 23.00 -999 ? N21 C2E A 301 >VAL^A 71 10.75 -3.93 12.08 12.52 -4.82 11.15 11.64 -4.37 11.62 3 0 18.38 -999 ? N21 C2E A 301 >GLU^A 72 6.69 -5.58 14.73 4.83 -6.56 14.45 5.76 -6.07 14.59 2 0 18.63 -999 ? N21 C2E A 301 >MET.A 73 11.60 -8.18 16.88 14.17 -6.68 18.09 12.88 -7.43 17.48 2 0 23.27 -999 ? N21 C2E A 301 >PRO.A 74 13.58 -10.84 14.17 11.80 -10.97 15.49 12.69 -10.90 14.83 3 0 18.51 -999 ? N21 C2E A 301 >LYS.A 75 9.70 -14.41 17.00 6.16 -11.27 19.18 7.93 -12.84 18.09 2 0 21.41 -999 ? N21 C2E A 301 >ILE.A 76 14.06 -15.95 17.10 14.73 -14.99 16.21 14.40 -15.47 16.65 3 0 20.26 -999 ? N21 C2E A 301 >SER.A 77 14.71 -17.86 20.85 16.81 -18.77 20.03 15.76 -18.32 20.44 2 0 24.54 -999 ? N21 C2E A 301 >ALA.A 78 16.28 -15.52 23.39 15.92 -15.47 24.86 16.10 -15.49 24.13 2 0 28.43 -999 ? N21 C2E A 301 >ASP~A 79 19.82 -18.69 22.66 21.43 -19.12 23.96 20.62 -18.91 23.31 2 0 30.21 -999 ? N21 C2E A 301 >ASP~A 80 18.53 -17.34 17.76 18.57 -19.44 17.90 18.55 -18.39 17.83 2 0 23.66 -999 ? N21 C2E A 301 >LEU~A 81 16.80 -13.04 20.37 15.42 -11.39 20.19 16.11 -12.21 20.28 3 0 24.51 -999 ? N21 C2E A 301 >GLN~A 82 21.25 -13.38 23.26 21.18 -13.23 25.39 21.21 -13.30 24.32 2 0 31.21 -999 ? N21 C2E A 301 >TYR~A 83 24.52 -15.89 20.76 25.70 -16.30 23.25 25.11 -16.09 22.01 3 0 30.51 -999 ? N21 C2E A 301 >PHE.A 84 22.11 -15.87 14.74 23.34 -18.33 14.34 22.72 -17.10 14.54 3 0 23.41 -999 ? N21 C2E A 301 >PHE.A 85 18.09 -9.55 15.63 16.44 -8.05 13.97 17.27 -8.80 14.80 3 0 21.18 -999 ? N21 C2E A 301 >GLN.A 86 24.23 -9.58 18.83 26.07 -10.44 19.45 25.15 -10.01 19.14 2 0 29.68 -999 ? N21 C2E A 301 >GLU.A 87 22.53 -2.75 18.16 22.63 -1.18 19.56 22.58 -1.96 18.86 2 0 30.68 -999 ? N21 C2E A 301 >GLY.A 88 26.28 -3.75 13.64 25.68 -4.30 13.54 25.98 -4.02 13.59 1 0 28.11 -999 ? N21 C2E A 301 >PHE.A 89 25.71 -8.99 13.78 27.35 -10.29 15.61 26.53 -9.64 14.69 3 0 26.99 -999 ? N21 C2E A 301 >TRP^A 90 27.47 -5.19 7.88 25.62 -2.52 5.68 26.55 -3.85 6.78 3 0 25.18 -999 ? N21 C2E A 301 >MET^A 91 21.77 -8.82 6.64 18.71 -7.44 9.08 20.24 -8.13 7.86 2 0 18.61 -999 ? N21 C2E A 301 >ASN^A 92 20.53 -10.46 2.38 22.65 -10.55 2.18 21.59 -10.51 2.28 2 0 17.86 -999 ? N21 C2E A 301 >ILE^A 93 15.99 -7.04 4.14 15.43 -6.28 5.24 15.71 -6.66 4.69 3 0 14.72 -999 ? N21 C2E A 301 >ARG^A 94 12.55 -12.80 -0.72 10.33 -14.85 -0.21 11.44 -13.83 -0.46 2 0 4.68 -999 ? N21 C2E A 301 >ALA^A 95 10.32 -7.78 0.85 10.35 -6.28 1.11 10.33 -7.03 0.98 2 0 10.70 -999 ? N11 C2E A 301 >ILE^A 96 6.62 -9.63 -1.26 6.34 -11.00 -1.60 6.48 -10.32 -1.43 3 0 4.68 -999 ? N11 C2E A 301 >SER^A 97 5.13 -5.92 -3.45 4.74 -3.92 -4.71 4.94 -4.92 -4.08 2 0 9.23 -999 ? O61 C2E A 301 >PRO.A 98 1.14 -6.53 -2.11 2.38 -7.42 -3.72 1.76 -6.97 -2.92 3 0 6.17 -999 ? O61 C2E A 301 >ARG.A 99 -1.29 -2.34 -4.97 -2.19 0.30 -6.23 -1.74 -1.02 -5.60 2 0 13.59 -999 ? O61 C2E B 301 >GLY.A 100 -0.32 -6.55 -10.22 0.00 -7.00 -9.65 -0.16 -6.77 -9.94 1 0 9.32 -999 ? N2 C2E A 301 >GLU.A 101 2.77 -8.35 -14.05 3.97 -7.83 -15.72 3.37 -8.09 -14.88 2 0 9.39 -999 ? O11 C2E A 301 >GLY.A 102 4.07 -8.14 -8.05 4.42 -7.93 -8.77 4.24 -8.03 -8.41 1 0 6.44 -999 ? O61 C2E A 301 >ALA^A 103 7.72 -7.57 -7.26 7.99 -6.07 -7.40 7.85 -6.82 -7.33 2 0 9.21 -999 ? O61 C2E A 301 >LEU^A 104 11.21 -10.31 -5.68 11.61 -12.05 -4.49 11.41 -11.18 -5.08 3 0 7.59 -999 ? N31 C2E A 301 >ILE^A 105 11.84 -5.32 -2.68 11.33 -3.97 -2.70 11.58 -4.64 -2.69 3 0 11.99 -999 ? N11 C2E A 301 >HIS^A 106 16.26 -9.68 -2.62 15.33 -11.56 -2.56 15.80 -10.62 -2.59 3 0 11.03 -999 ? N21 C2E A 301 >PHE^A 107 17.00 -3.63 1.02 15.17 -3.59 3.11 16.09 -3.61 2.07 3 0 16.16 -999 ? N21 C2E A 301 >ARG^A 108 25.12 -6.17 2.65 27.73 -7.47 3.61 26.42 -6.82 3.13 2 0 23.83 -999 ? N21 C2E A 301 >SER^A 109 20.92 -3.37 5.70 19.17 -2.44 7.11 20.05 -2.90 6.41 2 0 20.65 -999 ? N21 C2E A 301 >GLN^A 110 25.06 -2.48 10.09 26.80 -1.25 10.05 25.93 -1.87 10.07 2 0 27.91 -999 ? N21 C2E A 301 >LEU^A 111 21.13 -4.69 13.17 19.98 -5.01 14.96 20.56 -4.85 14.06 3 0 24.06 -999 ? N21 C2E A 301 >MET^A 112 21.55 0.01 13.93 23.06 0.98 11.19 22.30 0.49 12.56 2 0 27.11 -999 ? N21 C2E A 301 >HIS^A 113 19.70 2.48 16.98 21.09 4.00 16.57 20.40 3.24 16.77 3 0 30.12 -999 ? N21 C2E A 301 >ILE^A 114 18.14 -3.78 19.58 18.16 -5.26 19.47 18.15 -4.52 19.53 3 0 26.92 -999 ? N21 C2E A 301 >LEU^A 115 13.92 -0.15 21.34 14.59 1.68 20.44 14.25 0.76 20.89 3 0 29.16 -999 ? N21 C2E A 301 >GLN.A 116 14.74 -4.57 25.25 14.82 -5.92 23.62 14.78 -5.24 24.43 2 0 28.58 -999 ? N21 C2E A 301 >GLU.A 117 9.89 -0.66 27.84 10.27 -2.72 27.95 10.08 -1.69 27.90 2 0 32.69 -999 ? N21 C2E A 301 >PRO.A 118 7.59 2.93 24.59 8.52 0.91 24.66 8.05 1.92 24.63 3 0 29.36 -999 ? N21 C2E B 301 >VAL.A 119 7.86 -2.33 22.62 6.68 -2.42 20.79 7.27 -2.37 21.70 3 0 26.99 -999 ? N21 C2E A 301 >PRO.A 120 9.57 -6.22 22.71 9.87 -4.41 21.45 9.72 -5.31 22.08 3 0 26.26 -999 ? N21 C2E A 301 >MET^A 121 11.64 -3.41 17.75 9.62 0.25 17.64 10.63 -1.58 17.69 2 0 25.34 -999 ? N21 C2E A 301 >ALA^A 122 14.70 -2.94 15.56 15.28 -4.24 15.00 14.99 -3.59 15.28 2 0 22.31 -999 ? N21 C2E A 301 >PHE^A 123 15.42 1.83 15.23 13.47 2.82 16.96 14.45 2.32 16.09 3 0 26.70 -999 ? N21 C2E A 301 >LEU^A 124 17.22 -2.19 9.55 16.79 -4.12 10.40 17.00 -3.15 9.97 3 0 20.37 -999 ? N21 C2E A 301 >SER.A 125 19.83 1.13 7.98 21.72 -0.16 7.19 20.78 0.49 7.58 2 0 23.81 -999 ? N21 C2E A 301 >ILE.A 126 17.30 3.03 4.50 15.90 3.37 4.37 16.60 3.20 4.44 3 0 22.48 -999 ? N21 C2E A 301 >PRO.A 127 19.66 -0.24 1.02 20.28 1.60 2.10 19.97 0.68 1.56 3 0 21.73 -999 ? N21 C2E A 301 >ASN.A 128 21.53 5.18 -1.81 23.00 4.01 -2.79 22.26 4.60 -2.30 2 0 25.99 -999 ? N21 C2E A 301 >THR^A 129 19.06 1.74 -3.58 20.59 2.04 -5.10 19.82 1.89 -4.34 2 0 23.05 -999 ? N11 C2E A 301 >MET^A 130 17.44 -1.71 -3.63 14.66 -0.95 -0.59 16.05 -1.33 -2.11 2 0 16.94 -999 ? N11 C2E A 301 >GLN^A 131 19.46 -5.15 -6.61 20.75 -6.81 -7.01 20.11 -5.98 -6.81 2 0 17.94 -999 ? N31 C2E A 301 >VAL^A 132 13.59 -5.15 -7.70 12.03 -3.67 -7.48 12.81 -4.41 -7.59 3 0 13.54 -999 ? O61 C2E A 301 >SER^A 133 12.55 -8.09 -9.84 13.31 -9.86 -8.34 12.93 -8.98 -9.09 2 0 10.46 -999 ? O4A C2E A 301 >GLN^A 134 7.72 -9.60 -13.41 7.57 -9.44 -15.52 7.64 -9.52 -14.47 2 0 8.75 -999 ? O11 C2E A 301 >LEU.A 135 6.80 -11.31 -8.06 6.45 -12.31 -6.19 6.63 -11.81 -7.12 3 0 -4.12 -999 ? N71 C2E A 301s >ARG.A 136 2.11 -12.17 -9.13 1.08 -10.80 -6.58 1.60 -11.48 -7.85 2 0 -3.92 -999 ? O61 C2E A 301s >LYS.A 137 4.32 -14.05 -15.33 0.72 -19.17 -16.51 2.52 -16.61 -15.92 2 0 -4.52 -999 ? O2' C2E A 301s >GLU.A 138 -0.51 -13.89 -15.40 -1.76 -15.14 -16.54 -1.13 -14.52 -15.97 2 0 5.46 -999 ? O2' C2E A 301 >PRO.A 139 -1.56 -8.49 -15.18 -0.50 -9.89 -13.81 -1.03 -9.19 -14.49 3 0 8.20 -999 ? O21 C2E A 301 >ARG.A 140 -1.50 -13.13 -8.21 0.28 -15.40 -7.16 -0.61 -14.27 -7.69 2 0 -3.36 -999 ? C5 C2E A 301s >PHE^A 141 -6.62 -7.97 -12.78 -5.32 -7.70 -15.23 -5.97 -7.84 -14.01 3 0 8.60 -999 ? N2 C2E A 301 >GLU^A 142 -5.78 -6.60 -5.54 -5.25 -5.49 -3.81 -5.52 -6.04 -4.67 2 0 10.87 -999 ? N1 C2E A 301 >LEU^A 143 -12.04 -8.63 -7.45 -11.72 -10.69 -8.09 -11.88 -9.66 -7.77 3 0 9.42 -999 ? N2 C2E A 301 >ASN^A 144 -14.15 -8.19 -2.40 -12.36 -7.37 -1.59 -13.26 -7.78 -1.99 2 0 13.31 -999 ? N1 C2E A 301 >LEU^A 145 -16.25 -11.99 -6.47 -16.23 -10.57 -8.09 -16.24 -11.28 -7.28 3 0 12.71 -999 ? N2 C2E A 301 >ALA^A 146 -18.53 -13.88 -2.80 -19.77 -13.48 -2.02 -19.15 -13.68 -2.41 2 0 17.10 -999 ? N1 C2E A 301 >GLY^A 147 -18.95 -17.47 -3.92 -18.81 -17.49 -3.10 -18.88 -17.48 -3.51 1 0 15.77 -999 ? N1 C2E A 301 >LYS^A 148 -18.93 -21.14 -3.03 -22.92 -21.05 0.91 -20.92 -21.10 -1.06 2 0 21.30 -999 ? O6 C2E A 301 >VAL^A 149 -16.05 -23.61 -3.17 -14.44 -23.99 -1.73 -15.25 -23.80 -2.45 3 0 14.56 -999 ? O6 C2E A 301 >LEU^A 150 -17.48 -27.46 -5.66 -19.45 -26.84 -6.33 -18.47 -27.15 -5.99 3 0 18.78 -999 ? C6 C2E A 301 >PHE^A 151 -12.54 -30.65 -2.04 -10.44 -32.44 -1.68 -11.49 -31.55 -1.86 3 0 17.01 -999 ? N7 C2E A 301 >ASP.A 152 -15.35 -34.35 -1.82 -13.48 -35.18 -2.37 -14.41 -34.76 -2.10 2 0 20.83 -999 ? C8 C2E A 301 >GLU.A 153 -19.21 -34.41 1.40 -17.40 -35.49 1.72 -18.31 -34.95 1.56 2 0 24.63 -999 ? N7 C2E A 301 >HIS^A 154 -16.69 -30.86 2.00 -15.94 -32.47 3.12 -16.32 -31.67 2.56 3 0 21.74 -999 ? O6 C2E A 301 >ARG^A 155 -22.65 -25.75 -3.25 -23.90 -23.07 -4.10 -23.28 -24.41 -3.67 2 0 21.80 -999 ? N1 C2E A 301 >GLY^A 156 -18.71 -23.92 1.45 -18.63 -23.72 0.69 -18.67 -23.82 1.07 1 0 18.64 -999 ? O6 C2E A 301 >ASP^A 157 -19.05 -19.29 2.64 -21.12 -19.53 2.92 -20.09 -19.41 2.78 2 0 20.06 -999 ? O6 C2E A 301 >CYH^A 158 -15.53 -18.41 0.03 -15.42 -19.19 -2.71 -15.47 -18.80 -1.34 2 0 12.92 -999 ? O6 C2E A 301 >GLU^A 159 -14.60 -12.52 -1.04 -14.41 -10.88 0.31 -14.50 -11.70 -0.36 2 0 13.73 -999 ? O6 C2E A 301 >LEU^A 160 -12.99 -14.41 -5.89 -12.24 -15.36 -7.66 -12.62 -14.89 -6.77 3 0 8.77 -999 ? N2 C2E A 301 >ARG^A 161 -10.10 -10.87 -0.83 -10.13 -10.47 2.22 -10.11 -10.67 0.70 2 0 11.81 -999 ? O6 C2E A 301 >ASP^A 162 -6.26 -11.42 -6.54 -4.88 -13.01 -6.28 -5.57 -12.22 -6.41 2 0 -3.09 -999 ? N1 C2E A 301s >LEU^A 163 -9.39 -13.03 -10.80 -10.62 -14.24 -12.09 -10.01 -13.64 -11.44 3 0 6.20 -999 ? N2 C2E A 301 >SER.A 164 -5.52 -13.71 -13.16 -3.99 -15.49 -12.49 -4.76 -14.60 -12.83 2 0 -3.07 -999 ? N2 C2E A 301s >ARG.A 165 -4.47 -13.19 -19.45 -6.66 -12.47 -21.46 -5.56 -12.83 -20.45 2 0 12.45 -999 ? N2 C2E A 301 >SER.A 166 -4.12 -18.47 -15.14 -2.19 -18.29 -16.62 -3.16 -18.38 -15.88 2 0 -4.62 -999 ? O2' C2E A 301s >GLY^A 167 -5.31 -18.58 -11.54 -5.51 -17.84 -11.78 -5.41 -18.21 -11.66 1 0 -3.74 -999 ? N3 C2E A 301s >CYH^A 168 -6.81 -16.95 -8.49 -9.12 -18.59 -8.00 -7.97 -17.77 -8.24 2 0 -6.21 -999 ? C2 C2E A 301s >ARG^A 169 -4.99 -14.17 -2.16 -2.05 -13.85 -1.33 -3.52 -14.01 -1.75 2 0 -4.75 -999 ? O6 C2E A 301s >PHE^A 170 -10.47 -19.67 -2.91 -9.94 -22.37 -2.52 -10.20 -21.02 -2.71 3 0 8.91 -999 ? O6 C2E A 301 >ILE^A 171 -10.17 -15.96 1.98 -10.09 -14.51 2.05 -10.13 -15.23 2.01 3 0 10.18 -999 ? O6 C2E A 301 >THR^A 172 -12.64 -19.39 3.41 -11.97 -21.32 2.68 -12.31 -20.36 3.04 2 0 12.93 -999 ? O6 C2E A 301 >PRO.A 173 -15.95 -19.29 6.14 -13.73 -19.47 6.34 -14.84 -19.38 6.24 3 0 16.73 -999 ? O6 C2E A 301 >PRO.A 174 -11.25 -18.60 10.50 -11.79 -20.39 9.29 -11.52 -19.49 9.89 3 0 17.63 -999 ? O6 C2E A 301 >LEU.A 175 -14.95 -23.45 11.44 -14.71 -23.23 13.58 -14.83 -23.34 12.51 3 0 22.44 -999 ? O6 C2E A 301 >GLY.A 176 -14.50 -24.46 6.89 -13.82 -24.67 7.29 -14.16 -24.57 7.09 1 0 18.56 -999 ? O6 C2E A 301 >LYS.A 177 -13.21 -27.52 5.04 -11.69 -32.72 3.81 -12.45 -30.12 4.42 2 0 20.27 -999 ? N7 C2E A 301 >THR.A 178 -9.47 -27.26 4.39 -8.59 -27.66 6.32 -9.03 -27.46 5.36 2 0 17.14 -999 ? O6 C2E A 301 >TYR.A 179 -9.39 -27.05 -0.05 -12.07 -26.36 0.14 -10.73 -26.71 0.05 3 0 13.95 -999 ? N7 C2E A 301 >GLN.A 180 -4.24 -31.66 0.79 -3.85 -33.35 2.05 -4.04 -32.51 1.42 2 0 15.88 -999 ? O1P C2E A 301 >VAL.A 181 -1.58 -28.40 -2.22 0.40 -27.48 -2.43 -0.59 -27.94 -2.33 3 0 8.21 -999 ? O1P C2E A 301 >GLY.A 182 -2.65 -30.55 -5.15 -3.23 -30.14 -4.78 -2.94 -30.34 -4.96 1 0 10.02 -999 ? O1P C2E A 301 >ASP.A 183 -7.06 -30.30 -3.03 -6.77 -31.63 -1.43 -6.92 -30.97 -2.23 2 0 14.57 -999 ? O1P C2E A 301 >LEU^A 184 -8.88 -31.15 -8.32 -9.17 -30.73 -10.42 -9.02 -30.94 -9.37 3 0 13.60 -999 ? O4' C2E A 301 >VAL^A 185 -11.48 -27.66 -6.39 -10.55 -26.49 -4.80 -11.01 -27.08 -5.59 3 0 12.77 -999 ? N7 C2E A 301 >ALA^A 186 -14.06 -25.56 -8.20 -15.10 -26.40 -8.95 -14.58 -25.98 -8.58 2 0 15.48 -999 ? N3 C2E A 301 >LEU^A 187 -14.25 -20.95 -7.19 -12.62 -20.87 -5.76 -13.44 -20.91 -6.48 3 0 11.13 -999 ? N1 C2E A 301 >GLU^A 188 -20.03 -23.11 -8.39 -21.92 -24.07 -8.27 -20.97 -23.59 -8.33 2 0 19.90 -999 ? N2 C2E A 301 >ILE^A 189 -17.61 -16.25 -8.74 -16.75 -15.92 -7.61 -17.18 -16.08 -8.17 3 0 13.02 -999 ? N2 C2E A 301 >PHE.A 190 -22.98 -15.99 -5.30 -23.67 -18.09 -3.62 -23.32 -17.04 -4.46 3 0 19.81 -999 ? N2 C2E A 301 >SER.A 191 -22.97 -12.99 -10.38 -25.12 -13.67 -11.26 -24.05 -13.33 -10.82 2 0 20.96 -999 ? N2 C2E A 301 >ASP.A 192 -26.02 -10.21 -8.74 -27.24 -11.85 -9.23 -26.63 -11.03 -8.98 2 0 23.17 -999 ? N2 C2E A 301 >LEU.A 193 -26.45 -8.85 -3.82 -25.07 -7.38 -3.04 -25.76 -8.11 -3.43 3 0 23.34 -999 ? N2 C2E A 301 >ARG.A 194 -31.13 -12.35 -8.06 -30.54 -13.07 -10.98 -30.84 -12.71 -9.52 2 0 26.37 -999 ? N2 C2E A 301 >GLY.A 195 -26.58 -15.52 -3.95 -27.20 -15.54 -4.54 -26.89 -15.53 -4.24 1 0 22.99 -999 ? N2 C2E A 301 >THR.A 196 -28.29 -17.75 -6.49 -30.18 -16.67 -6.61 -29.23 -17.21 -6.55 2 0 26.12 -999 ? N2 C2E A 301 >LYS.A 197 -26.95 -17.54 -10.03 -31.23 -18.41 -12.60 -29.09 -17.97 -11.32 2 0 27.35 -999 ? N2 C2E A 301 >THR.A 198 -23.21 -18.00 -10.51 -22.99 -19.75 -9.26 -23.10 -18.87 -9.89 2 0 19.32 -999 ? N2 C2E A 301 >PHE.A 199 -19.51 -15.48 -13.25 -19.97 -12.76 -13.56 -19.74 -14.12 -13.40 3 0 15.97 -999 ? N2 C2E A 301 >PRO.A 200 -18.78 -19.95 -16.50 -19.70 -20.49 -14.54 -19.24 -20.22 -15.52 3 0 16.97 -999 ? N2 C2E A 301 >PRO.A 201 -18.72 -24.82 -12.49 -17.62 -22.89 -12.74 -18.17 -23.85 -12.61 3 0 16.79 -999 ? N2 C2E A 301 >LEU^A 202 -13.06 -20.62 -11.23 -13.41 -18.61 -11.96 -13.24 -19.61 -11.59 3 0 10.32 -999 ? N2 C2E A 301 >THR^A 203 -11.63 -25.21 -11.66 -12.74 -26.43 -13.05 -12.18 -25.82 -12.36 2 0 13.87 -999 ? C1' C2E A 301 >GLY^A 204 -8.02 -25.69 -10.66 -8.46 -26.04 -10.07 -8.24 -25.87 -10.36 1 0 9.28 -999 ? O4' C2E A 301 >LYS^A 205 -5.45 -27.16 -8.25 -2.71 -32.35 -10.76 -4.08 -29.75 -9.50 2 0 11.81 -999 ? O1P C2E A 301 >ILE^A 206 -4.69 -26.11 -3.54 -5.49 -25.03 -2.91 -5.09 -25.57 -3.23 3 0 8.52 -999 ? N7 C2E A 301 >CYH^A 207 -0.78 -24.34 -5.34 -0.81 -23.96 -8.11 -0.79 -24.15 -6.72 2 0 -4.01 -999 ? O4' C2E A 301s >ASN^A 208 0.54 -21.32 -2.29 -0.50 -19.83 -3.42 0.02 -20.58 -2.86 2 0 -3.55 -999 ? N7 C2E A 301s >LEU^A 209 -2.83 -23.18 1.61 -2.23 -24.79 2.93 -2.53 -23.98 2.27 3 0 10.32 -999 ? O2P C2E A 301 >GLN^A 210 -0.56 -17.78 5.17 0.90 -18.94 6.19 0.17 -18.36 5.68 2 0 10.02 -999 ? N21 C2E A 301 >ARG^A 211 -4.93 -23.64 8.57 -7.93 -23.17 9.07 -6.43 -23.41 8.82 2 0 16.62 -999 ? O6 C2E A 301 >SER.A 212 -4.77 -16.86 9.45 -4.14 -15.23 7.75 -4.46 -16.05 8.60 2 0 13.10 -999 ? O6 C2E A 301 >LEU.A 213 -6.47 -15.06 13.59 -7.14 -15.05 15.64 -6.80 -15.06 14.62 3 0 20.26 -999 ? O6 C2E A 301 >HIS.A 214 -9.67 -12.41 11.50 -9.18 -11.33 13.22 -9.42 -11.87 12.36 3 0 19.24 -999 ? O6 C2E A 301 >HIS.A 215 -8.99 -15.19 5.86 -7.58 -13.77 5.21 -8.29 -14.48 5.53 3 0 12.12 -999 ? O6 C2E A 301 >ALA^A 216 -7.81 -19.62 5.34 -8.33 -21.05 5.33 -8.07 -20.33 5.34 2 0 12.73 -999 ? O6 C2E A 301 >ARG^A 217 -3.36 -16.18 0.94 -0.54 -17.39 0.83 -1.95 -16.79 0.88 2 0 6.70 -999 ? O6 C2E A 301 >TYR^A 218 -6.98 -22.32 0.01 -7.64 -23.76 2.29 -7.31 -23.04 1.15 3 0 10.22 -999 ? O6 C2E A 301 >GLY^A 219 -3.71 -19.90 -4.28 -4.11 -20.70 -4.09 -3.91 -20.30 -4.18 1 0 -3.43 -999 ? N7 C2E A 301s >LEU^A 220 -6.63 -21.76 -7.28 -8.08 -23.33 -7.55 -7.35 -22.54 -7.42 3 0 -7.07 -999 ? C8 C2E A 301s >GLU^A 221 -2.05 -23.28 -12.44 -0.03 -23.89 -12.66 -1.04 -23.59 -12.55 2 0 -4.32 -999 ? C4' C2E A 301s >PHE^A 222 -7.93 -20.98 -13.39 -9.02 -18.86 -11.96 -8.48 -19.92 -12.67 3 0 7.21 -999 ? N3 C2E A 301 >ASN~A 223 -7.68 -27.50 -15.35 -9.79 -27.31 -15.11 -8.74 -27.40 -15.23 2 0 12.71 -999 ? O4' C2E A 301 >GLU~A 224 -8.40 -25.77 -21.72 -8.05 -26.98 -23.42 -8.22 -26.37 -22.57 2 0 15.93 -999 ? O2' C2E A 301 >GLU~A 225 -14.07 -25.95 -18.02 -15.34 -27.27 -16.96 -14.71 -26.61 -17.49 2 0 17.61 -999 ? C1' C2E A 301 >GLY~A 226 -10.93 -22.84 -15.51 -10.72 -22.76 -16.32 -10.82 -22.80 -15.91 1 0 11.67 -999 ? C1' C2E A 301 >ARG~A 227 -5.20 -21.14 -18.72 -4.74 -24.14 -19.17 -4.97 -22.64 -18.94 2 0 9.91 -999 ? O2' C2E A 301 >ASN~A 228 -12.40 -21.37 -21.10 -11.00 -22.25 -22.44 -11.70 -21.81 -21.77 2 0 15.04 -999 ? O2' C2E A 301 >ASN~A 229 -14.86 -20.46 -16.50 -16.06 -21.98 -17.43 -15.46 -21.22 -16.97 2 0 15.85 -999 ? N2 C2E A 301 >ALA~A 230 -11.86 -16.98 -15.84 -10.42 -17.26 -15.41 -11.14 -17.12 -15.62 2 0 8.84 -999 ? N2 C2E A 301 >LYS~A 231 -11.44 -15.22 -19.18 -8.27 -15.76 -22.64 -9.85 -15.49 -20.91 2 0 13.14 -999 ? O2' C2E A 301 >ASN~A 232 -16.23 -15.79 -19.65 -16.12 -16.52 -21.66 -16.17 -16.16 -20.65 2 0 17.05 -999 ? N2 C2E A 301 >LEU~A 233 -15.04 -14.35 -14.57 -15.67 -13.86 -12.57 -15.36 -14.11 -13.57 3 0 11.84 -999 ? N2 C2E A 301 >LEU~A 234 -11.20 -11.31 -16.74 -9.44 -11.75 -15.56 -10.32 -11.53 -16.15 3 0 9.62 -999 ? N2 C2E A 301 >ALA~A 235 -14.57 -9.77 -19.28 -14.97 -10.65 -20.48 -14.77 -10.21 -19.88 2 0 15.93 -999 ? N2 C2E A 301 >GLN~A 236 -18.84 -11.00 -17.40 -19.65 -10.38 -19.27 -19.25 -10.69 -18.33 2 0 18.79 -999 ? N2 C2E A 301 >LEU~A 237 -14.29 -7.62 -13.75 -14.53 -9.14 -12.25 -14.41 -8.38 -13.00 3 0 12.58 -999 ? N2 C2E A 301 >LYS^A 238 -14.71 -3.19 -14.38 -18.35 -1.58 -18.12 -16.53 -2.38 -16.25 2 0 19.93 -999 ? N2 C2E B 301 >PHE^A 239 -9.48 -0.55 -12.40 -7.44 0.41 -10.77 -8.46 -0.07 -11.59 3 0 13.35 -999 ? N2 C2E B 301 >ASN.A 240 -14.12 0.95 -8.98 -13.19 0.02 -7.31 -13.65 0.49 -8.14 2 0 14.36 -999 ? O21 C2E B 301 >GLY.A 241 -9.65 2.76 -9.37 -9.85 2.02 -9.06 -9.75 2.39 -9.21 1 0 10.63 -999 ? N2 C2E B 301 >THR.A 242 -9.00 0.35 -6.49 -9.57 0.87 -4.47 -9.29 0.61 -5.48 2 0 12.36 -999 ? O61 C2E B 301 >LYS.A 243 -10.07 -3.12 -7.64 -14.33 -4.79 -4.42 -12.20 -3.95 -6.03 2 0 15.17 -999 ? N2 C2E A 301 >LEU^A 244 -11.82 -6.32 -10.84 -10.71 -6.23 -12.70 -11.26 -6.28 -11.77 3 0 11.37 -999 ? N2 C2E A 301 >THR^A 245 -15.95 -5.02 -9.47 -17.20 -3.30 -9.10 -16.57 -4.16 -9.28 2 0 17.40 -999 ? N2 C2E A 301 >LEU.A 246 -19.69 -7.93 -10.29 -19.17 -9.97 -10.71 -19.43 -8.95 -10.50 3 0 16.33 -999 ? N2 C2E A 301 >ASN.A 247 -22.93 -5.45 -13.51 -21.77 -5.11 -15.27 -22.35 -5.28 -14.39 2 0 20.89 -999 ? N2 C2E A 301 >THR.B 23 -21.85 5.31 3.28 -20.92 6.28 1.59 -21.38 5.80 2.43 2 0 12.59 -999 ? O11 C2E B 301 >VAL.B 24 -20.28 5.85 6.71 -20.85 6.78 8.59 -20.57 6.32 7.65 3 0 15.58 -999 ? O4A C2E B 301 >SER^B 25 -19.35 2.63 8.48 -17.89 1.61 6.84 -18.62 2.12 7.66 2 0 17.21 -999 ? N71 C2E B 301 >THR^B 26 -17.38 1.25 11.42 -17.99 1.36 13.49 -17.68 1.30 12.45 2 0 21.27 -999 ? N31 C2E B 301 >ILE^B 27 -13.63 -0.57 9.37 -14.19 -1.55 8.44 -13.91 -1.06 8.91 3 0 18.29 -999 ? O61 C2E B 301 >ASN^B 28 -11.70 -4.36 12.92 -10.66 -5.13 11.24 -11.18 -4.74 12.08 2 0 21.32 -999 ? O6 C2E A 301 >SER~B 29 -8.69 -0.89 13.28 -8.89 0.42 15.30 -8.79 -0.23 14.29 2 0 19.81 -999 ? N21 C2E B 301 >THR~B 30 -6.46 -3.54 11.71 -5.68 -5.47 12.26 -6.07 -4.50 11.98 2 0 19.78 -999 ? O61 C2E A 301 >ASP~B 31 -9.76 -4.11 8.16 -9.75 -6.21 8.42 -9.76 -5.16 8.29 2 0 18.26 -999 ? O6 C2E A 301 >ALA~B 32 -8.81 0.28 8.47 -9.54 1.08 9.56 -9.17 0.68 9.02 2 0 15.70 -999 ? O61 C2E B 301 >LEU~B 33 -4.32 0.81 10.32 -4.19 2.37 11.80 -4.25 1.59 11.06 3 0 16.02 -999 ? N11 C2E B 301 >ALA~B 34 -4.24 -1.51 6.29 -4.80 -2.92 6.14 -4.52 -2.21 6.22 2 0 16.17 -999 ? O61 C2E A 301 >MET.B 35 -5.86 1.04 3.98 -9.99 1.13 4.50 -7.92 1.08 4.24 2 0 12.95 -999 ? O61 C2E B 301 >VAL.B 36 -3.46 3.81 5.01 -3.78 5.24 6.64 -3.62 4.52 5.82 3 0 10.55 -999 ? O61 C2E B 301 >GLU.B 37 -0.62 3.88 0.75 -0.32 4.81 -1.12 -0.47 4.35 -0.19 2 0 9.39 -999 ? O61 C2E B 301 >HIS.B 38 4.87 2.64 4.63 6.30 2.30 3.13 5.59 2.47 3.88 3 0 15.97 -999 ? O61 C2E B 301 >SER.B 39 4.72 7.48 5.49 6.81 6.45 4.77 5.76 6.96 5.13 2 0 15.26 -999 ? O61 C2E B 301 >SER.B 40 1.49 9.31 4.61 -0.48 7.96 5.14 0.50 8.64 4.87 2 0 9.12 -999 ? N11 C2E B 301 >GLU^B 41 0.46 14.98 6.85 0.80 16.86 5.93 0.63 15.92 6.39 2 0 7.72 -999 ? N21 C2E B 301 >LEU^B 42 -1.59 11.27 10.63 -1.62 9.12 10.69 -1.60 10.19 10.66 3 0 10.52 -999 ? N21 C2E B 301 >THR^B 43 -3.93 15.11 10.84 -5.11 16.57 9.76 -4.52 15.84 10.30 2 0 7.45 -999 ? N21 C2E B 301 >LEU^B 44 -2.53 15.01 15.35 -1.34 13.28 14.85 -1.93 14.15 15.10 3 0 13.28 -999 ? N21 C2E B 301 >SER^B 45 -6.50 17.30 16.50 -7.95 17.62 14.58 -7.22 17.46 15.54 2 0 12.51 -999 ? N21 C2E B 301 >ILE^B 46 -3.99 17.58 20.50 -2.75 17.05 20.92 -3.37 17.32 20.71 3 0 18.53 -999 ? N21 C2E B 301 >THR^B 47 -7.68 18.64 22.99 -9.83 18.75 22.86 -8.76 18.69 22.93 2 0 21.06 -999 ? N21 C2E B 301 >THR.B 48 -5.61 19.04 26.16 -4.64 20.96 26.06 -5.13 20.00 26.11 2 0 24.30 -999 ? N21 C2E B 301 >PRO.B 49 -5.07 17.94 30.33 -6.78 18.31 28.97 -5.93 18.13 29.65 3 0 27.33 -999 ? N21 C2E B 301 >VAL.B 50 -8.01 21.95 29.89 -6.70 23.64 30.21 -7.35 22.79 30.05 3 0 28.63 -999 ? N21 C2E B 301 >GLY.B 51 -10.05 22.11 26.71 -9.22 22.37 26.61 -9.63 22.24 26.66 1 0 25.53 -999 ? N21 C2E B 301 >THR.B 52 -7.42 23.88 24.59 -5.77 25.17 25.11 -6.59 24.52 24.85 2 0 24.73 -999 ? N21 C2E B 301 >LYS^B 53 -7.36 22.58 21.02 -13.56 21.56 20.17 -10.46 22.07 20.59 2 0 20.29 -999 ? N21 C2E B 301 >PHE^B 54 -1.86 22.37 18.66 0.47 22.95 17.25 -0.70 22.66 17.95 3 0 17.95 -999 ? N21 C2E B 301 >VAL^B 55 -4.11 20.96 15.09 -5.82 20.98 13.75 -4.97 20.97 14.42 3 0 13.29 -999 ? N21 C2E B 301 >CYH^B 56 -0.90 19.58 13.61 0.17 17.94 15.62 -0.36 18.76 14.62 2 0 14.73 -999 ? N21 C2E B 301 >ARG^B 57 -1.35 19.32 8.13 -4.26 20.09 8.70 -2.81 19.71 8.42 2 0 8.07 -999 ? N21 C2E B 301 >THR^B 58 2.82 14.44 10.97 3.39 13.43 12.79 3.10 13.93 11.88 2 0 14.00 -999 ? N21 C2E B 301 >PRO^B 59 5.67 12.75 8.34 3.87 11.96 9.39 4.77 12.36 8.86 3 0 12.77 -999 ? N21 C2E B 301 >PHE^B 60 0.84 5.95 9.35 0.07 3.28 9.69 0.46 4.61 9.52 3 0 14.21 -999 ? N11 C2E B 301 >ILE^B 61 6.16 5.38 11.59 7.43 5.59 12.25 6.79 5.48 11.92 3 0 18.58 -999 ? N21 C2E B 301 >GLY^B 62 3.30 2.24 10.89 3.32 2.70 11.63 3.31 2.47 11.26 1 0 17.93 -999 ? N11 C2E B 301 >THR^B 63 1.98 0.04 13.69 0.05 -0.43 12.85 1.01 -0.19 13.27 2 0 19.59 -999 ? N11 C2E B 301 >HIS^B 64 5.28 -3.23 17.72 6.30 -4.93 18.40 5.79 -4.08 18.06 3 0 22.95 -999 ? N21 C2E A 301 >THR.B 65 1.41 -5.60 16.09 2.39 -6.35 17.87 1.90 -5.97 16.98 2 0 22.03 -999 ? N21 C2E A 301 >ASP.B 66 -3.12 -5.44 17.43 -2.91 -6.73 19.08 -3.02 -6.09 18.26 2 0 24.37 -999 ? N21 C2E A 301 >LYS.B 67 -0.41 -2.48 20.16 2.79 -6.43 20.83 1.19 -4.46 20.49 2 0 24.61 -999 ? N21 C2E A 301 >PHE^B 68 1.98 1.24 21.25 1.95 0.94 24.01 1.97 1.09 22.63 3 0 25.83 -999 ? N21 C2E B 301 >LEU^B 69 -0.85 4.24 16.01 -1.43 5.34 14.26 -1.14 4.79 15.13 3 0 17.08 -999 ? N21 C2E B 301 >LEU^B 70 5.08 4.11 15.20 5.63 2.29 16.22 5.35 3.20 15.71 3 0 21.12 -999 ? N21 C2E B 301 >VAL^B 71 4.24 8.48 14.16 2.41 9.29 15.03 3.33 8.89 14.59 3 0 16.50 -999 ? N21 C2E B 301 >GLU^B 72 8.42 10.26 11.58 8.84 10.78 9.58 8.63 10.52 10.58 2 0 16.96 -999 ? N21 C2E B 301 >MET.B 73 7.18 13.97 15.95 7.51 12.99 19.02 7.35 13.48 17.49 2 0 21.42 -999 ? N21 C2E B 301 >PRO.B 74 3.48 16.15 15.93 5.44 16.35 14.89 4.46 16.25 15.41 3 0 16.61 -999 ? N21 C2E B 301 >LYS.B 75 7.39 19.64 13.02 10.00 17.22 7.78 8.70 18.43 10.40 2 0 16.89 -999 ? N21 C2E B 301 >ILE.B 76 4.72 22.05 16.07 3.68 21.07 16.48 4.20 21.56 16.27 3 0 18.24 -999 ? N21 C2E B 301 >SER~B 77 7.62 24.79 17.77 5.84 26.17 18.67 6.73 25.48 18.22 2 0 22.80 -999 ? N21 C2E B 301 >ALA~B 78 9.06 23.30 20.96 10.44 23.62 21.54 9.75 23.46 21.25 2 0 26.47 -999 ? N21 C2E B 301 >ASP~B 79 6.11 26.78 22.67 4.66 27.50 24.05 5.38 27.14 23.36 2 0 26.97 -999 ? N21 C2E B 301 >ASP~B 80 3.05 24.05 19.78 2.70 26.08 19.35 2.87 25.07 19.57 2 0 21.84 -999 ? N21 C2E B 301 >LEU~B 81 6.79 20.39 20.97 7.64 18.60 20.14 7.21 19.50 20.55 3 0 22.74 -999 ? N21 C2E B 301 >GLN~B 82 7.12 20.41 27.38 8.49 21.57 28.52 7.81 20.99 27.95 2 0 30.42 -999 ? N21 C2E B 301 >TYR~B 83 1.26 24.03 25.84 -0.99 25.15 27.02 0.14 24.59 26.43 3 0 26.42 -999 ? N21 C2E B 301 >PHE~B 84 -0.90 22.18 22.15 -2.04 24.70 22.44 -1.47 23.44 22.29 3 0 21.91 -999 ? N21 C2E B 301 >PHE~B 85 3.00 15.73 20.69 2.87 13.51 19.06 2.94 14.62 19.87 3 0 19.52 -999 ? N21 C2E B 301 >GLN.B 86 3.32 16.92 27.38 4.39 16.59 29.20 3.85 16.75 28.29 2 0 28.67 -999 ? N21 C2E B 301 >GLU.B 87 4.21 10.66 27.30 5.56 9.30 28.22 4.89 9.98 27.76 2 0 28.79 -999 ? N21 C2E B 301 >GLY.B 88 -1.80 10.93 28.25 -1.68 11.29 27.51 -1.74 11.11 27.88 1 0 26.44 -999 ? N21 C2E B 301 >PHE.B 89 -2.05 15.78 26.25 -1.17 17.76 27.98 -1.61 16.77 27.12 3 0 25.06 -999 ? N21 C2E B 301 >TRP^B 90 -7.42 11.22 26.53 -8.26 7.72 24.95 -7.84 9.47 25.74 3 0 24.03 -999 ? N21 C2E B 301 >MET^B 91 -6.68 13.42 20.01 -2.84 12.51 18.72 -4.76 12.96 19.37 2 0 16.75 -999 ? N21 C2E B 301 >ASN^B 92 -10.13 13.62 16.73 -11.46 13.70 18.39 -10.79 13.66 17.56 2 0 16.92 -999 ? N21 C2E B 301 >ILE^B 93 -5.88 10.32 14.30 -4.50 9.84 14.45 -5.19 10.08 14.37 3 0 12.98 -999 ? N21 C2E B 301 >ARG^B 94 -10.06 14.66 9.70 -12.88 15.81 9.44 -11.47 15.23 9.57 2 0 9.81 -999 ? N31 C2E B 301 >ALA^B 95 -5.97 9.31 8.03 -5.60 7.95 8.59 -5.79 8.63 8.31 2 0 9.50 -999 ? N21 C2E B 301 >ILE^B 96 -5.70 9.92 3.37 -6.84 10.66 2.77 -6.27 10.29 3.07 3 0 4.15 -999 ? N11 C2E B 301 >SER^B 97 -6.95 5.73 2.13 -8.07 3.68 1.50 -7.51 4.71 1.81 2 0 9.09 -999 ? O61 C2E B 301 >PRO.B 98 -3.66 6.06 -0.70 -5.77 6.78 -0.62 -4.71 6.42 -0.66 3 0 5.96 -999 ? O61 C2E B 301 >ARG.B 99 -4.81 1.09 -3.04 -5.37 -1.84 -3.80 -5.09 -0.38 -3.42 2 0 13.88 -999 ? O61 C2E A 301 >GLY.B 100 -9.60 5.07 -6.19 -9.37 5.54 -5.60 -9.49 5.31 -5.90 1 0 9.19 -999 ? N2 C2E B 301 >GLU.B 101 -14.64 6.09 -5.71 -16.72 5.82 -5.44 -15.68 5.95 -5.58 2 0 9.43 -999 ? O11 C2E B 301 >GLY.B 102 -10.38 6.68 -1.43 -11.18 6.52 -1.49 -10.78 6.60 -1.46 1 0 6.96 -999 ? N71 C2E B 301 >ALA^B 103 -11.71 6.99 2.09 -11.93 5.56 2.58 -11.82 6.27 2.34 2 0 9.52 -999 ? O61 C2E B 301 >LEU^B 104 -12.28 10.43 5.32 -11.64 12.17 6.43 -11.96 11.30 5.88 3 0 7.52 -999 ? N31 C2E B 301 >ILE^B 105 -9.29 6.19 8.20 -8.83 4.81 8.15 -9.06 5.50 8.18 3 0 11.49 -999 ? N11 C2E B 301 >HIS^B 106 -12.23 11.16 12.34 -12.16 12.93 13.45 -12.20 12.04 12.89 3 0 12.57 -999 ? N21 C2E B 301 >PHE^B 107 -8.45 6.43 14.58 -5.76 6.49 13.89 -7.11 6.46 14.24 3 0 14.71 -999 ? N21 C2E B 301 >ARG^B 108 -11.69 10.06 21.74 -11.10 10.14 24.76 -11.39 10.10 23.25 2 0 23.43 -999 ? N21 C2E B 301 >SER^B 109 -6.26 7.92 20.06 -4.06 7.18 19.35 -5.16 7.55 19.71 2 0 18.78 -999 ? N21 C2E B 301 >GLN^B 110 -4.18 8.65 25.75 -4.85 7.68 27.53 -4.51 8.17 26.64 2 0 26.18 -999 ? N21 C2E B 301 >LEU^B 111 0.01 11.00 23.18 2.00 11.47 22.48 1.01 11.23 22.83 3 0 21.86 -999 ? N21 C2E B 301 >MET^B 112 0.99 6.71 25.15 -1.99 5.51 25.49 -0.50 6.11 25.32 2 0 25.28 -999 ? N21 C2E B 301 >HIS^B 113 4.95 4.79 25.73 4.34 3.55 27.31 4.65 4.17 26.52 3 0 28.48 -999 ? N21 C2E B 301 >ILE^B 114 7.12 11.07 23.91 6.80 12.46 23.63 6.96 11.76 23.77 3 0 25.12 -999 ? N21 C2E B 301 >LEU^B 115 11.09 7.27 21.85 11.06 5.37 22.87 11.08 6.32 22.36 3 0 27.62 -999 ? N21 C2E B 301 >GLN.B 116 14.77 13.01 22.43 13.13 14.05 21.58 13.95 13.53 22.00 2 0 26.99 -999 ? N21 C2E B 301 >GLU.B 117 18.12 9.11 22.68 19.02 10.28 21.18 18.57 9.70 21.93 2 0 31.55 -999 ? N21 C2E B 301 >PRO.B 118 16.85 4.81 17.64 17.04 6.43 19.15 16.94 5.62 18.39 3 0 29.46 -999 ? N21 C2E B 301 >VAL.B 119 15.15 9.06 16.95 15.06 7.89 15.10 15.11 8.47 16.03 3 0 25.90 -999 ? N21 C2E B 301 >PRO.B 120 13.00 12.87 16.74 12.82 10.92 17.81 12.91 11.90 17.28 3 0 24.17 -999 ? N21 C2E B 301 >MET^B 121 8.87 9.34 17.70 10.22 5.50 16.78 9.55 7.42 17.24 2 0 23.64 -999 ? N21 C2E B 301 >ALA^B 122 5.52 8.84 19.40 4.61 10.05 19.38 5.07 9.44 19.39 2 0 20.57 -999 ? N21 C2E B 301 >PHE^B 123 5.38 4.31 20.76 7.92 3.45 20.01 6.65 3.88 20.38 3 0 24.63 -999 ? N21 C2E B 301 >LEU^B 124 -0.93 7.11 18.84 -0.27 9.12 18.40 -0.60 8.11 18.62 3 0 18.42 -999 ? N21 C2E B 301 >SER^B 125 -3.10 3.96 21.21 -4.91 5.28 22.14 -4.00 4.62 21.67 2 0 22.05 -999 ? N21 C2E B 301 >ILE.B 126 -4.47 0.86 17.89 -3.88 0.30 16.71 -4.17 0.58 17.30 3 0 20.90 -999 ? N21 C2E B 301 >PRO.B 127 -9.10 3.52 17.73 -8.24 2.03 19.13 -8.67 2.77 18.43 3 0 20.42 -999 ? N21 C2E B 301 >ASN.B 128 -11.93 -1.97 19.36 -11.20 -2.52 21.28 -11.56 -2.25 20.32 2 0 26.38 -999 ? N21 C2E B 301 >THR^B 129 -12.76 0.32 15.64 -14.76 -0.03 16.38 -13.76 0.14 16.01 2 0 22.45 -999 ? N21 C2E B 301 >MET^B 130 -12.50 3.40 13.44 -8.45 3.13 12.44 -10.48 3.27 12.94 2 0 15.87 -999 ? N21 C2E B 301 >GLN^B 131 -16.25 6.68 13.10 -17.86 5.30 13.08 -17.06 5.99 13.09 2 0 18.53 -999 ? O4A C2E B 301 >VAL^B 132 -14.60 5.16 7.52 -13.58 3.51 6.56 -14.09 4.33 7.04 3 0 13.67 -999 ? C51 C2E B 301 >SER^B 133 -16.34 7.76 5.39 -15.62 9.78 6.51 -15.98 8.77 5.95 2 0 10.32 -999 ? O4A C2E B 301 >GLN.B 134 -17.55 9.98 -0.31 -19.35 10.60 -1.25 -18.45 10.29 -0.78 2 0 7.53 -999 ? O11 C2E B 301 >LEU.B 135 -12.05 10.45 0.78 -10.15 11.46 1.00 -11.10 10.96 0.89 3 0 -4.28 -999 ? N71 C2E B 301s >ARG.B 136 -10.39 10.75 -3.93 -7.55 9.68 -3.54 -8.97 10.22 -3.73 2 0 -3.89 -999 ? O61 C2E B 301s >LYS.B 137 -16.98 12.27 -5.28 -15.90 17.15 -6.49 -16.44 14.71 -5.89 2 0 -3.23 -999 ? O3' C2E B 301s >GLU.B 138 -14.88 11.83 -9.39 -15.29 12.85 -11.20 -15.09 12.34 -10.29 2 0 5.49 -999 ? O2' C2E B 301 >PRO.B 139 -13.87 6.40 -9.82 -13.12 7.94 -8.40 -13.50 7.17 -9.11 3 0 8.10 -999 ? O21 C2E B 301 >ARG.B 140 -7.91 11.52 -6.78 -7.96 14.04 -5.01 -7.93 12.78 -5.90 2 0 -3.40 -999 ? C5 C2E B 301s >PHE^B 141 -8.98 5.65 -12.86 -11.68 5.00 -12.74 -10.33 5.32 -12.80 3 0 8.74 -999 ? N2 C2E B 301 >GLU^B 142 -2.97 5.35 -8.71 -1.84 4.27 -7.29 -2.41 4.81 -8.00 2 0 10.78 -999 ? N1 C2E B 301 >LEU^B 143 -1.65 6.74 -15.30 -2.53 8.70 -15.61 -2.09 7.72 -15.46 3 0 9.46 -999 ? N2 C2E B 301 >ASN^B 144 3.74 6.70 -14.80 3.60 6.07 -12.77 3.67 6.38 -13.78 2 0 13.28 -999 ? N1 C2E B 301 >LEU^B 145 0.98 10.12 -18.86 -0.32 8.52 -19.52 0.33 9.32 -19.19 3 0 12.72 -999 ? N2 C2E B 301 >ALA^B 146 5.20 12.25 -19.11 6.53 11.88 -19.77 5.86 12.06 -19.44 2 0 17.04 -999 ? N1 C2E B 301 >GLY^B 147 4.21 15.66 -20.42 4.84 15.79 -19.91 4.52 15.72 -20.17 1 0 15.80 -999 ? N1 C2E B 301 >LYS^B 148 4.64 19.42 -20.28 9.89 19.27 -22.17 7.26 19.35 -21.22 2 0 21.33 -999 ? O6 C2E B 301 >VAL^B 149 3.05 21.90 -17.90 3.47 22.36 -15.79 3.26 22.13 -16.85 3 0 14.42 -999 ? O6 C2E B 301 >LEU^B 150 1.48 25.42 -20.64 2.22 24.79 -22.56 1.85 25.11 -21.60 3 0 18.79 -999 ? C6 C2E B 301 >PHE^B 151 1.51 29.09 -14.69 0.48 30.92 -12.87 1.00 30.00 -13.78 3 0 16.57 -999 ? N7 C2E B 301 >ASP.B 152 2.18 32.86 -17.28 0.63 33.43 -15.93 1.40 33.14 -16.61 2 0 19.99 -999 ? C8 C2E B 301 >GLU.B 153 6.34 34.05 -19.47 5.09 35.29 -18.27 5.72 34.67 -18.87 2 0 24.55 -999 ? N7 C2E B 301 >HIS^B 154 7.78 28.08 -17.01 9.24 26.69 -16.42 8.51 27.38 -16.72 3 0 20.45 -999 ? O6 C2E B 301 >ARG^B 155 6.63 24.44 -23.88 7.74 21.82 -25.04 7.18 23.13 -24.46 2 0 22.81 -999 ? O6 C2E B 301 >GLY^B 156 8.27 22.75 -18.03 7.60 22.47 -18.40 7.94 22.61 -18.22 1 0 18.58 -999 ? O6 C2E B 301 >ASP^B 157 9.70 18.14 -17.54 10.97 18.31 -19.23 10.33 18.22 -18.38 2 0 20.00 -999 ? O6 C2E B 301 >CYH^B 158 5.78 17.15 -15.63 3.32 17.67 -16.92 4.55 17.41 -16.28 2 0 12.89 -999 ? O6 C2E B 301 >GLU^B 159 4.99 11.22 -14.77 6.30 9.86 -13.80 5.65 10.54 -14.29 2 0 13.76 -999 ? O6 C2E B 301 >LEU^B 160 -0.27 12.69 -15.94 -2.29 13.44 -16.09 -1.28 13.07 -16.02 3 0 8.71 -999 ? N2 C2E B 301 >ARG^B 161 2.96 9.64 -10.71 5.59 9.57 -9.11 4.28 9.61 -9.91 2 0 11.68 -999 ? O6 C2E B 301 >ASP^B 162 -3.96 9.86 -10.13 -4.46 11.57 -9.02 -4.21 10.72 -9.58 2 0 -3.04 -999 ? N1 C2E B 301s >LEU^B 163 -6.29 10.87 -14.95 -6.90 12.00 -16.67 -6.59 11.43 -15.81 3 0 6.10 -999 ? N2 C2E B 301 >SER.B 164 -10.30 11.42 -12.93 -10.44 13.17 -11.24 -10.37 12.29 -12.08 2 0 -3.05 -999 ? N2 C2E B 301s >ARG.B 165 -16.44 10.61 -14.72 -19.33 11.67 -14.77 -17.89 11.14 -14.75 2 0 10.70 -999 ? O2' C2E B 301 >SER.B 166 -12.93 16.14 -12.85 -15.09 15.80 -11.81 -14.01 15.97 -12.33 2 0 -4.53 -999 ? O2' C2E B 301s >GLY^B 167 -9.22 16.51 -12.20 -9.30 15.75 -12.43 -9.26 16.13 -12.32 1 0 -3.69 -999 ? N3 C2E B 301s >CYH^B 168 -5.71 15.10 -12.03 -4.45 16.77 -13.95 -5.08 15.93 -12.99 2 0 -6.16 -999 ? C2 C2E B 301s >ARG^B 169 -0.88 13.03 -7.12 -1.56 12.92 -4.13 -1.22 12.98 -5.62 2 0 -4.70 -999 ? O6 C2E B 301s >PHE^B 170 0.78 18.23 -12.65 0.68 20.98 -12.20 0.73 19.61 -12.42 3 0 8.84 -999 ? O6 C2E B 301 >ILE^B 171 5.15 14.87 -9.85 5.25 13.45 -9.68 5.20 14.16 -9.77 3 0 10.16 -999 ? O6 C2E B 301 >THR^B 172 7.41 18.34 -11.48 6.25 20.16 -11.39 6.83 19.25 -11.43 2 0 12.75 -999 ? O6 C2E B 301 >PRO.B 173 11.34 18.50 -13.13 10.49 18.58 -11.06 10.91 18.54 -12.09 3 0 16.67 -999 ? O6 C2E B 301 >PRO.B 174 12.90 17.83 -6.87 12.10 19.61 -7.95 12.50 18.72 -7.41 3 0 17.49 -999 ? O6 C2E B 301 >LEU.B 175 15.41 22.81 -9.59 17.09 22.54 -8.27 16.25 22.67 -8.93 3 0 22.29 -999 ? O6 C2E B 301 >GLY.B 176 11.24 23.68 -11.63 11.16 23.89 -10.85 11.20 23.78 -11.24 1 0 18.62 -999 ? O6 C2E B 301 >LYS.B 177 8.81 26.59 -11.72 7.46 31.56 -12.94 8.13 29.07 -12.33 2 0 21.12 -999 ? N7 C2E B 301 >THR.B 178 6.21 26.30 -8.92 7.28 26.85 -7.15 6.75 26.57 -8.03 2 0 16.80 -999 ? O6 C2E B 301 >TYR.B 179 2.36 25.70 -10.99 3.98 25.02 -13.14 3.17 25.36 -12.07 3 0 13.89 -999 ? O6 C2E B 301 >GLN.B 180 1.55 30.21 -5.52 1.56 32.31 -5.18 1.55 31.26 -5.35 2 0 16.04 -999 ? O1P C2E B 301 >VAL.B 181 -3.48 27.20 -5.31 -4.58 26.40 -3.61 -4.03 26.80 -4.46 3 0 8.15 -999 ? O1P C2E B 301 >GLY.B 182 -5.75 29.01 -7.76 -5.12 28.63 -8.07 -5.44 28.82 -7.92 1 0 9.83 -999 ? O1P C2E B 301 >ASP.B 183 -1.79 28.84 -10.63 -0.66 30.31 -9.57 -1.22 29.57 -10.10 2 0 14.33 -999 ? O1P C2E B 301 >LEU^B 184 -5.69 29.05 -14.86 -6.97 28.33 -16.45 -6.33 28.69 -15.66 3 0 13.53 -999 ? O4' C2E B 301 >VAL^B 185 -2.40 25.76 -15.87 -1.43 24.84 -14.15 -1.91 25.30 -15.01 3 0 12.63 -999 ? C8 C2E B 301 >ALA^B 186 -2.43 23.48 -18.90 -2.58 24.21 -20.23 -2.51 23.84 -19.56 2 0 15.56 -999 ? N3 C2E B 301 >LEU^B 187 -1.19 18.96 -18.18 -0.81 19.12 -16.06 -1.00 19.04 -17.12 3 0 11.13 -999 ? N1 C2E B 301 >GLU^B 188 0.34 20.87 -23.80 1.17 21.98 -25.42 0.76 21.42 -24.61 2 0 19.78 -999 ? N2 C2E B 301 >ILE^B 189 -0.61 14.05 -21.34 -0.01 13.94 -20.03 -0.31 14.00 -20.69 3 0 12.93 -999 ? N2 C2E B 301 >PHE.B 190 4.85 13.66 -24.57 6.61 15.81 -24.45 5.73 14.73 -24.51 3 0 19.75 -999 ? N2 C2E B 301 >SER.B 191 0.31 10.28 -26.42 0.19 10.97 -28.73 0.25 10.62 -27.57 2 0 20.36 -999 ? N2 C2E B 301 >ASP.B 192 3.51 7.73 -28.40 4.69 9.27 -29.24 4.10 8.50 -28.82 2 0 23.13 -999 ? N2 C2E B 301 >LEU.B 193 7.00 5.32 -25.21 5.43 4.38 -24.06 6.21 4.85 -24.64 3 0 21.76 -999 ? N2 C2E B 301 >ARG.B 194 9.25 6.39 -30.72 9.33 3.86 -32.46 9.29 5.12 -31.59 2 0 29.24 -999 ? O11 C2E A 301 >GLY.B 195 6.67 11.87 -27.23 6.86 11.52 -27.95 6.76 11.69 -27.59 1 0 22.38 -999 ? N2 C2E B 301 >THR.B 196 5.95 12.44 -30.91 5.74 10.48 -31.76 5.85 11.46 -31.33 2 0 25.64 -999 ? N2 C2E B 301 >LYS.B 197 2.66 14.16 -30.11 -0.83 11.74 -34.04 0.91 12.95 -32.08 2 0 24.97 -999 ? N2 C2E B 301 >THR.B 198 0.36 15.27 -27.32 1.27 17.22 -26.97 0.81 16.25 -27.14 2 0 19.53 -999 ? N2 C2E B 301 >PHE.B 199 -3.38 12.46 -25.06 -2.84 9.73 -25.01 -3.11 11.10 -25.03 3 0 15.78 -999 ? N2 C2E B 301 >PRO.B 200 -7.10 16.45 -27.58 -5.34 17.02 -26.33 -6.22 16.73 -26.95 3 0 17.33 -999 ? N2 C2E B 301 >PRO.B 201 -5.23 21.60 -24.52 -4.75 19.54 -23.83 -4.99 20.57 -24.18 3 0 16.16 -999 ? N2 C2E B 301 >LEU^B 202 -5.18 18.00 -18.76 -5.70 15.93 -19.12 -5.44 16.97 -18.94 3 0 9.91 -999 ? N2 C2E B 301 >THR^B 203 -6.70 22.59 -18.31 -7.42 23.42 -20.17 -7.06 23.00 -19.24 2 0 13.68 -999 ? C1' C2E B 301 >GLY^B 204 -7.72 23.64 -14.81 -6.98 23.95 -14.91 -7.35 23.79 -14.86 1 0 9.25 -999 ? O4' C2E B 301 >LYS^B 205 -6.87 25.33 -11.52 -10.34 29.58 -9.49 -8.61 27.45 -10.51 2 0 -10.36 -999 ? O1P C2E B 301s >ILE^B 206 -3.04 24.79 -8.55 -2.06 23.72 -8.88 -2.55 24.26 -8.72 3 0 8.45 -999 ? N7 C2E B 301 >CYH^B 207 -6.32 22.95 -5.82 -8.77 22.45 -7.09 -7.55 22.70 -6.45 2 0 -4.01 -999 ? O1P C2E B 301s >ASN^B 208 -4.15 20.35 -2.93 -4.56 18.73 -4.26 -4.35 19.54 -3.59 2 0 -3.47 -999 ? N7 C2E B 301s >LEU^B 209 0.92 22.25 -4.12 1.18 24.25 -3.33 1.05 23.25 -3.73 3 0 10.16 -999 ? O2P C2E B 301 >GLN^B 210 3.27 17.31 -0.03 3.59 18.55 1.68 3.43 17.93 0.82 2 0 10.10 -999 ? N21 C2E B 301 >ARG^B 211 8.09 22.99 -2.57 10.13 22.73 -4.88 9.11 22.86 -3.72 2 0 16.78 -999 ? O6 C2E B 301 >SER.B 212 8.68 16.14 -1.54 8.01 14.57 -3.30 8.34 15.35 -2.42 2 0 13.16 -999 ? O6 C2E B 301 >LEU.B 213 13.00 13.98 -1.09 15.14 13.67 -0.98 14.07 13.82 -1.03 3 0 19.65 -999 ? O6 C2E B 301 >HIS.B 214 13.04 11.66 -4.90 14.49 10.59 -3.83 13.77 11.13 -4.36 3 0 18.94 -999 ? O6 C2E B 301 >HIS.B 215 7.81 14.24 -7.06 6.68 12.76 -6.10 7.25 13.50 -6.58 3 0 11.93 -999 ? O6 C2E B 301 >ALA^B 216 6.72 18.80 -6.41 6.88 20.24 -6.90 6.80 19.52 -6.65 2 0 12.62 -999 ? O6 C2E B 301 >ARG^B 217 0.82 15.44 -4.45 -0.87 16.78 -2.26 -0.02 16.11 -3.36 2 0 6.37 -999 ? O6 C2E B 301 >TYR^B 218 1.42 21.23 -8.42 3.73 22.73 -7.99 2.57 21.98 -8.21 3 0 10.08 -999 ? O6 C2E B 301 >GLY^B 219 -3.71 18.46 -7.63 -3.40 19.28 -7.89 -3.55 18.87 -7.76 1 0 -3.38 -999 ? N7 C2E B 301s >LEU^B 220 -5.07 20.07 -11.69 -4.58 21.68 -13.02 -4.83 20.88 -12.36 3 0 -7.07 -999 ? C8 C2E B 301s >GLU^B 221 -11.86 21.10 -10.14 -13.00 21.71 -8.45 -12.43 21.41 -9.30 2 0 -4.05 -999 ? C4' C2E B 301s >PHE^B 222 -9.78 18.64 -15.60 -7.86 16.65 -15.65 -8.82 17.64 -15.63 3 0 7.18 -999 ? N3 C2E B 301 >ASN~B 223 -12.01 24.89 -16.85 -10.55 24.64 -18.38 -11.28 24.77 -17.62 2 0 12.46 -999 ? O4' C2E B 301 >GLU~B 224 -16.80 22.93 -20.90 -17.88 24.32 -22.10 -17.34 23.63 -21.50 2 0 16.79 -999 ? O2' C2E B 301 >GLU~B 225 -10.33 22.86 -23.16 -8.91 24.36 -23.62 -9.62 23.61 -23.39 2 0 17.01 -999 ? C1' C2E B 301 >GLY~B 226 -10.34 20.15 -19.24 -11.11 20.04 -19.49 -10.73 20.09 -19.37 1 0 11.47 -999 ? O2' C2E B 301 >ARG~B 227 -16.01 19.09 -16.09 -16.65 16.54 -14.51 -16.33 17.81 -15.30 2 0 7.56 -999 ? O2' C2E B 301 >ASN~B 228 -14.11 18.31 -23.21 -16.11 19.01 -22.96 -15.11 18.66 -23.08 2 0 15.22 -999 ? O2' C2E B 301 >ASN~B 229 -8.99 17.44 -22.98 -9.26 18.88 -24.54 -9.13 18.16 -23.76 2 0 15.65 -999 ? N2 C2E B 301 >ALA~B 230 -9.83 14.28 -19.75 -10.16 14.73 -18.33 -9.99 14.51 -19.04 2 0 8.79 -999 ? N2 C2E B 301 >LYS~B 231 -12.77 12.18 -20.95 -18.80 11.50 -22.86 -15.78 11.84 -21.91 2 0 16.58 -999 ? O2' C2E B 301 >ASN~B 232 -10.52 12.92 -25.16 -9.28 12.34 -26.79 -9.90 12.63 -25.97 2 0 16.84 -999 ? N2 C2E B 301 >LEU~B 233 -6.86 11.63 -21.70 -4.93 11.13 -20.86 -5.90 11.38 -21.28 3 0 11.50 -999 ? N2 C2E B 301 >LEU~B 234 -10.34 8.50 -19.17 -10.04 9.00 -17.09 -10.19 8.75 -18.13 3 0 9.55 -999 ? N2 C2E B 301 >ALA~B 235 -10.97 6.51 -23.14 -11.92 7.21 -24.12 -11.44 6.86 -23.63 2 0 15.87 -999 ? N2 C2E B 301 >GLN.B 236 -7.69 7.43 -26.47 -6.65 8.90 -27.61 -7.17 8.16 -27.04 2 0 18.09 -999 ? N2 C2E B 301 >LEU^B 237 -5.80 4.89 -20.32 -4.55 6.65 -20.18 -5.18 5.77 -20.25 3 0 12.83 -999 ? N2 C2E B 301 >LYS^B 238 -5.87 0.39 -20.54 -8.13 -3.69 -20.92 -7.00 -1.65 -20.73 2 0 16.50 -999 ? N2 C2E A 301 >PHE^B 239 -6.49 -1.61 -14.70 -5.93 -2.42 -12.09 -6.21 -2.02 -13.39 3 0 13.65 -999 ? N2 C2E A 301 >ASN.B 240 -1.20 -3.05 -17.04 -0.29 -1.75 -15.62 -0.74 -2.40 -16.33 2 0 15.10 -999 ? N2 C2E A 301 >GLY.B 241 -3.59 -4.49 -13.18 -3.25 -3.75 -13.28 -3.42 -4.12 -13.23 1 0 11.12 -999 ? N2 C2E A 301 >THR.B 242 -1.37 -1.91 -11.50 0.71 -2.27 -11.05 -0.33 -2.09 -11.27 2 0 13.04 -999 ? O61 C2E A 301 >LYS.B 243 -2.53 1.27 -13.25 2.13 3.70 -10.70 -0.20 2.49 -11.98 2 0 13.43 -999 ? N1 C2E B 301 >LEU^B 244 -4.67 3.95 -16.70 -6.74 3.66 -16.17 -5.71 3.81 -16.44 3 0 11.49 -999 ? N2 C2E B 301 >THR^B 245 -1.10 3.06 -19.39 -0.26 1.10 -19.00 -0.68 2.08 -19.19 2 0 16.73 -999 ? N2 C2E B 301 >LEU^B 246 0.29 5.07 -23.58 0.47 7.21 -23.50 0.38 6.14 -23.54 3 0 17.19 -999 ? N2 C2E B 301 >ASN.B 247 -3.12 1.72 -26.52 -4.85 1.23 -25.38 -3.98 1.47 -25.95 2 0 19.62 -999 ? N2 C2E B 301