REMARK SOURCE hebe.pdb HEADER UNKNOWN FUNCTION 05-APR-06 2DJW COMPND PROBABLE TRANSCRIPTIONAL REGULATOR, ASNC FAMILY; COMPND 3 CHAIN: A, B, C, D, E, F, G, H, I, J; COMPND 4 SYNONYM: TTHA0845 PROTEIN; COMPND 5 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: THERMUS THERMOPHILUS; SOURCE 3 ORGANISM_TAXID: 300852; SOURCE 4 STRAIN: HB8; SOURCE 5 EXPRESSION_SYSTEM: ESCHERICHIA COLI BL21(DE3); SOURCE 6 EXPRESSION_SYSTEM_TAXID: 469008; SOURCE 7 EXPRESSION_SYSTEM_STRAIN: BL21(DE3); SOURCE 8 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID; SOURCE 9 EXPRESSION_SYSTEM_PLASMID: PET11A AUTHOR N.OKAZAKI,N.NAKANO,A.SHINKAI,S.YOKOYAMA,RIKEN STRUCTURAL AUTHOR 2 GENOMICS/PROTEOMICS INITIATIVE (RSGI) HET ZN J2001 1 HET ZN E2002 1 HET ZN B2003 1 HET ZN G2004 1 SITE 1 AC1 3 GLU F 20 GLU J 50 ASP J 54 SITE 1 AC2 3 GLU C 20 GLU E 50 ASP E 54 SITE 1 AC3 3 GLU A 20 GLU B 50 ASP B 54 SITE 1 AC4 3 GLU G 50 ASP G 54 GLU I 20 >MET.A 1 32.98 7.36 10.28 31.65 10.33 9.05 32.31 8.84 9.67 2 0 19.33 -999 ? ZN ZN G2004 >ILE^A 2 30.54 3.16 10.52 30.09 2.20 11.48 30.32 2.68 11.00 3 0 13.96 -999 ? ZN ZN G2004 >THR^A 3 31.40 2.44 6.14 32.79 2.66 4.51 32.10 2.55 5.32 2 0 17.13 -999 ? ZN ZN G2004 >ALA^A 4 28.58 0.21 4.86 27.26 0.45 5.58 27.92 0.33 5.22 2 0 18.57 -999 ? ZN ZN G2004 >PHE^A 5 30.20 -2.05 0.90 32.92 -1.31 1.02 31.56 -1.68 0.96 3 0 19.49 -999 ? ZN ZN G2004 >VAL^A 6 24.06 -1.30 0.85 22.64 -0.11 2.05 23.35 -0.71 1.45 3 0 23.88 -999 ? ZN ZN G2004 >LEU^A 7 23.31 -5.28 -1.57 25.41 -6.05 -1.37 24.36 -5.66 -1.47 3 0 23.24 -999 ? ZN ZN E2002 >ILE^A 8 19.30 -1.25 -3.48 19.50 -0.24 -3.26 19.40 -0.74 -3.37 3 0 20.34 -999 ? ZN ZN E2002 >ARG^A 9 15.84 -8.62 -5.83 17.97 -10.19 -4.21 16.90 -9.40 -5.02 2 0 24.21 -999 ? ZN ZN E2002 >PRO^A 10 16.41 -2.02 -8.51 15.31 -3.11 -6.88 15.86 -2.56 -7.70 3 0 18.38 -999 ? ZN ZN E2002 >ARG.A 11 8.14 -2.39 -10.44 6.98 -0.33 -8.47 7.56 -1.36 -9.45 2 0 22.81 -999 ? ZN ZN E2002 >GLY.A 12 13.30 -3.59 -12.73 12.78 -3.06 -12.48 13.04 -3.32 -12.60 1 0 16.77 -999 ? ZN ZN E2002 >ASN.A 13 10.06 -0.38 -14.52 8.62 -0.07 -12.98 9.34 -0.23 -13.75 2 0 18.92 -999 ? ZN ZN E2002 >ARG~A 14 9.80 2.36 -9.66 10.15 5.25 -8.72 9.98 3.81 -9.19 2 0 19.76 -999 ? ZN ZN E2002 >VAL~A 15 16.33 1.02 -11.21 17.71 -0.52 -12.09 17.02 0.25 -11.65 3 0 13.69 -999 ? ZN ZN E2002 >GLN~A 16 17.90 4.40 -14.76 17.54 4.89 -16.79 17.72 4.65 -15.78 2 0 8.86 -999 ? ZN ZN E2002 >ALA~A 17 14.49 6.31 -10.27 13.04 5.84 -10.26 13.76 6.07 -10.27 2 0 16.68 -999 ? ZN ZN E2002 >LEU~A 18 15.57 3.11 -6.71 13.63 2.37 -6.07 14.60 2.74 -6.39 3 0 18.84 -999 ? ZN ZN E2002 >GLY~A 19 19.43 5.06 -8.24 18.81 5.59 -8.02 19.12 5.33 -8.13 1 0 15.01 -999 ? ZN ZN E2002 >GLU~A 20 18.69 9.20 -10.94 17.52 9.95 -12.50 18.10 9.58 -11.72 2 0 -13.24 -999 ? ZN ZN E2002s >ALA~A 21 16.87 9.08 -5.24 15.53 8.40 -5.00 16.20 8.74 -5.12 2 0 19.92 -999 ? ZN ZN E2002 >ILE~A 22 19.95 5.59 -3.42 19.33 4.92 -2.41 19.64 5.25 -2.91 3 0 20.07 -999 ? ZN ZN E2002 >ALA~A 23 22.15 9.43 -4.56 22.41 9.69 -6.04 22.28 9.56 -5.30 2 0 17.29 -999 ? ZN ZN E2002 >GLU.A 24 18.55 13.29 -4.55 20.34 13.88 -5.60 19.44 13.58 -5.07 2 0 19.69 -999 ? ZN ZN E2002 >LEU.A 25 20.28 9.44 1.15 18.43 8.34 1.09 19.36 8.89 1.12 3 0 24.45 -999 ? ZN ZN E2002 >PRO.A 26 21.58 13.09 4.32 22.66 12.47 2.42 22.12 12.78 3.37 3 0 27.18 -999 ? ZN ZN E2002 >GLN.A 27 23.63 9.42 6.04 21.54 9.66 5.66 22.58 9.54 5.85 2 0 26.34 -999 ? ZN ZN G2004 >VAL^A 28 25.54 8.14 0.35 24.01 7.14 -0.88 24.77 7.64 -0.26 3 0 22.36 -999 ? ZN ZN E2002 >ALA^A 29 29.00 8.84 -1.09 30.29 8.46 -0.36 29.65 8.65 -0.72 2 0 23.16 -999 ? ZN ZN E2002 >GLU^A 30 31.22 6.85 -4.51 33.04 5.76 -4.61 32.13 6.31 -4.56 2 0 19.82 -999 ? ZN ZN E2002 >VAL^A 31 25.78 4.70 -5.73 23.63 5.19 -5.62 24.70 4.94 -5.67 3 0 16.73 -999 ? ZN ZN E2002 >TYR^A 32 28.44 2.72 -8.58 30.61 4.34 -7.97 29.52 3.53 -8.28 3 0 15.05 -999 ? ZN ZN E2002 >SER^A 33 24.11 0.27 -11.15 22.21 1.00 -12.37 23.16 0.64 -11.76 2 0 10.82 -999 ? ZN ZN E2002 >VAL^A 34 26.03 -2.99 -10.92 26.40 -3.00 -8.72 26.22 -3.00 -9.82 3 0 14.72 -999 ? ZN ZN E2002 >THR.A 35 26.20 -6.51 -12.38 28.14 -6.78 -13.31 27.17 -6.64 -12.85 2 0 14.92 -999 ? ZN ZN E2002 >GLY.A 36 25.01 -9.23 -10.02 24.42 -8.92 -10.43 24.72 -9.08 -10.23 1 0 18.46 -999 ? ZN ZN E2002 >PRO.A 37 23.52 -11.24 -6.48 22.63 -10.09 -8.25 23.07 -10.66 -7.36 3 0 21.35 -999 ? ZN ZN E2002 >TYR.A 38 21.46 -7.15 -4.15 20.57 -8.66 -1.95 21.01 -7.91 -3.05 3 0 23.20 -999 ? ZN ZN E2002 >ASP.A 39 19.72 -3.56 -10.13 18.70 -5.29 -10.73 19.21 -4.43 -10.43 2 0 16.23 -999 ? ZN ZN E2002 >LEU^A 40 21.05 -0.01 -6.78 19.90 1.41 -8.05 20.48 0.70 -7.41 3 0 15.93 -999 ? ZN ZN E2002 >VAL^A 41 24.91 -0.75 -4.52 26.68 -2.10 -4.33 25.79 -1.42 -4.43 3 0 18.95 -999 ? ZN ZN E2002 >ALA^A 42 25.20 2.24 -2.23 24.01 2.94 -1.52 24.61 2.59 -1.88 2 0 20.93 -999 ? ZN ZN E2002 >LEU^A 43 29.85 3.38 -1.37 31.87 3.33 -0.54 30.86 3.36 -0.95 3 0 22.42 -999 ? ZN ZN E2002 >VAL^A 44 27.44 4.89 2.56 25.31 4.67 3.21 26.38 4.78 2.89 3 0 22.49 -999 ? ZN ZN G2004 >ARG^A 45 32.14 6.60 3.52 34.39 5.41 1.81 33.26 6.01 2.66 2 0 20.10 -999 ? ZN ZN G2004 >LEU^A 46 27.31 5.53 9.20 25.86 4.27 8.20 26.59 4.90 8.70 3 0 18.84 -999 ? ZN ZN G2004 >LYS.A 47 28.57 8.89 11.92 28.49 10.48 16.93 28.53 9.68 14.43 2 0 18.77 -999 ? ZN ZN G2004 >ASP~A 48 26.93 6.24 15.37 25.45 7.75 15.31 26.19 6.99 15.34 2 0 19.05 -999 ? ZN ZN G2004 >VAL~A 49 25.79 2.52 13.47 26.37 0.63 14.40 26.08 1.57 13.93 3 0 15.56 -999 ? ZN ZN G2004 >GLU~A 50 22.23 3.81 17.00 24.22 3.69 17.74 23.22 3.75 17.37 2 0 17.52 -999 ? ZN ZN G2004 >GLU~A 51 23.15 8.42 10.27 24.62 9.66 9.42 23.88 9.04 9.85 2 0 22.57 -999 ? ZN ZN G2004 >LEU~A 52 22.29 1.75 9.64 23.32 0.33 8.33 22.81 1.04 8.99 3 0 20.12 -999 ? ZN ZN G2004 >ASP~A 53 17.64 3.84 11.72 15.55 3.44 11.90 16.59 3.64 11.81 2 0 26.24 -999 ? ZN ZN G2004 >ASP~A 54 19.11 8.17 8.99 18.99 8.60 11.06 19.05 8.39 10.03 2 0 25.58 -999 ? ZN ZN G2004 >VAL~A 55 19.67 5.64 5.32 21.83 4.98 5.04 20.75 5.31 5.18 3 0 25.12 -999 ? ZN ZN G2004 >VAL~A 56 18.11 2.18 5.06 19.18 0.24 5.13 18.64 1.21 5.09 3 0 25.56 -999 ? ZN ZN G2004 >THR.A 57 14.83 2.04 7.02 14.41 0.93 8.84 14.62 1.49 7.93 2 0 27.57 -999 ? ZN ZN G2004 >GLN.A 58 14.01 6.33 9.19 12.23 5.41 9.97 13.12 5.87 9.58 2 0 30.39 -999 ? ZN ZN G2004 >GLY.A 59 15.67 6.43 3.53 15.30 5.71 3.51 15.49 6.07 3.52 1 0 27.43 -999 ? ZN ZN E2002 >ILE.A 60 17.11 2.51 0.92 18.23 1.92 0.27 17.67 2.22 0.59 3 0 24.05 -999 ? ZN ZN E2002 >LEU.A 61 13.22 0.31 3.49 14.33 -1.57 3.66 13.77 -0.63 3.57 3 0 28.51 -999 ? ZN ZN E2002 >SER.A 62 10.62 4.21 2.46 11.51 6.44 2.71 11.07 5.33 2.59 2 0 28.29 -999 ? ZN ZN E2002 >LEU.A 63 12.39 4.70 -1.97 13.55 6.56 -1.90 12.97 5.63 -1.93 3 0 23.46 -999 ? ZN ZN E2002 >GLU.A 64 7.18 3.59 -5.93 6.39 1.65 -6.13 6.78 2.62 -6.03 2 0 24.42 -999 ? ZN ZN E2002 >GLY.A 65 9.87 0.02 -5.68 10.10 -0.01 -4.96 9.98 0.01 -5.32 1 0 22.58 -999 ? ZN ZN E2002 >VAL^A 66 12.55 -1.59 -3.47 13.31 -0.11 -2.02 12.93 -0.85 -2.74 3 0 23.36 -999 ? ZN ZN E2002 >GLU^A 67 11.19 -6.14 -5.41 11.52 -7.30 -7.13 11.36 -6.72 -6.27 2 0 23.17 -999 ? ZN ZN E2002 >ARG^A 68 14.21 -9.24 0.28 13.24 -12.17 0.61 13.73 -10.70 0.45 2 0 28.72 -999 ? ZN ZN B2003 >THR^A 69 18.03 -4.50 0.71 18.21 -2.81 2.09 18.12 -3.65 1.40 2 0 26.27 -999 ? ZN ZN E2002 >GLU^A 70 21.92 -8.51 2.63 23.34 -9.97 2.05 22.63 -9.24 2.34 2 0 23.78 -999 ? ZN ZN G2004 >THR^A 71 23.68 -4.10 4.25 23.22 -2.25 5.25 23.45 -3.17 4.75 2 0 21.22 -999 ? ZN ZN G2004 >LEU^A 72 28.14 -5.55 3.29 27.37 -7.11 1.85 27.75 -6.33 2.57 3 0 19.94 -999 ? ZN ZN G2004 >LEU^A 73 27.84 -2.79 8.70 28.30 -1.35 10.36 28.07 -2.07 9.53 3 0 14.84 -999 ? ZN ZN G2004 >ALA^A 74 32.45 -2.50 7.64 33.20 -1.63 6.65 32.83 -2.07 7.15 2 0 13.77 -999 ? ZN ZN G2004 >PHE^A 75 33.57 -5.35 11.77 34.08 -8.03 11.19 33.83 -6.69 11.48 3 0 9.36 -999 ? ZN ZN G2004 >ARG^A 76 40.48 -5.18 11.11 43.34 -6.18 11.48 41.91 -5.68 11.29 2 0 8.06 -999 ? ZN ZN G2004 >ALA^A 77 39.53 -1.20 7.47 39.55 0.29 7.32 39.54 -0.46 7.39 2 0 12.13 -999 ? ZN ZN G2004 >TYR.A 78 42.29 -5.11 6.34 41.03 -7.11 7.84 41.66 -6.11 7.09 3 0 11.65 -999 ? ZN ZN G2004 >PRO.A 79 45.96 0.16 7.42 44.75 -0.18 5.58 45.35 -0.01 6.50 3 0 13.99 -999 ? ZN ZN G2004 >ARG.A 80 51.38 -0.29 4.19 53.35 -1.78 2.33 52.37 -1.04 3.26 2 0 21.33 -999 ? ZN ZN G2004 >MET.B 1 13.83 -20.29 31.18 11.51 -17.80 32.02 12.67 -19.04 31.60 2 0 13.94 -999 ? ZN ZN B2003 >ILE^B 2 12.75 -22.06 26.86 12.28 -23.23 26.47 12.51 -22.64 26.67 3 0 12.90 -999 ? ZN ZN B2003 >THR^B 3 15.45 -18.63 25.07 17.11 -17.25 25.42 16.28 -17.94 25.24 2 0 17.46 -999 ? ZN ZN B2003 >ALA^B 4 14.60 -18.17 21.35 13.14 -18.50 21.07 13.87 -18.33 21.21 2 0 13.81 -999 ? ZN ZN B2003 >PHE^B 5 18.21 -15.97 19.28 20.05 -16.41 21.39 19.13 -16.19 20.34 3 0 20.12 -999 ? ZN ZN B2003 >VAL^B 6 12.94 -14.95 16.15 10.74 -15.07 16.59 11.84 -15.01 16.37 3 0 15.49 -999 ? ZN ZN B2003 >LEU^B 7 15.15 -14.46 11.88 16.75 -15.30 13.16 15.95 -14.88 12.52 3 0 20.85 -999 ? ZN ZN B2003 >ILE^B 8 10.70 -10.68 12.12 10.07 -10.44 13.13 10.39 -10.56 12.63 3 0 18.76 -999 ? ZN ZN B2003 >ARG^B 9 12.25 -11.70 3.79 14.09 -14.14 4.30 13.17 -12.92 4.04 2 0 25.60 -999 ? ZN ZN B2003 >PRO^B 10 10.35 -6.35 8.49 9.43 -8.08 7.33 9.89 -7.22 7.91 3 0 23.56 -999 ? ZN ZN B2003 >ARG.B 11 4.66 -4.03 2.41 2.15 -4.03 4.16 3.41 -4.03 3.29 2 0 26.38 -999 ? ZN ZN B2003 >GLY.B 12 10.23 -2.77 3.74 9.49 -2.75 4.04 9.86 -2.76 3.89 1 0 29.28 -999 ? ZN ZN B2003 >ASN.B 13 7.00 0.81 3.82 5.31 -0.29 3.06 6.15 0.26 3.44 2 0 30.05 -999 ? ZN ZN B2003 >ARG~B 14 3.43 -2.45 7.59 1.92 -2.40 10.28 2.67 -2.42 8.94 2 0 23.18 -999 ? ZN ZN B2003 >VAL~B 15 9.99 -2.36 9.69 12.14 -2.61 9.11 11.06 -2.49 9.40 3 0 26.07 -999 ? ZN ZN B2003 >GLN~B 16 9.49 2.71 13.32 9.74 4.80 12.97 9.62 3.76 13.15 2 0 29.51 -999 ? ZN ZN B2003 >ALA~B 17 5.89 -0.30 13.04 4.72 -0.12 12.04 5.30 -0.21 12.54 2 0 24.41 -999 ? ZN ZN B2003 >LEU~B 18 6.73 -4.94 12.17 5.26 -5.89 10.88 5.99 -5.42 11.52 3 0 20.87 -999 ? ZN ZN B2003 >GLY~B 19 9.50 -3.40 15.53 8.72 -3.14 15.65 9.11 -3.27 15.59 1 0 21.58 -999 ? ZN ZN B2003 >GLU~B 20 7.89 1.30 17.42 7.18 2.96 16.29 7.53 2.13 16.86 2 0 25.90 -999 ? ZN ZN B2003 >ALA~B 21 4.56 -3.70 17.93 3.73 -4.11 16.70 4.14 -3.90 17.32 2 0 18.57 -999 ? ZN ZN B2003 >ILE~B 22 7.88 -7.28 17.66 7.86 -8.60 16.85 7.87 -7.94 17.26 3 0 16.56 -999 ? ZN ZN B2003 >ALA~B 23 8.44 -4.88 21.55 9.06 -3.51 21.47 8.75 -4.19 21.51 2 0 19.50 -999 ? ZN ZN B2003 >GLU~B 24 4.20 -2.38 22.67 5.80 -1.47 23.74 5.00 -1.92 23.20 2 0 19.88 -999 ? ZN ZN B2003 >LEU.B 25 5.04 -9.32 22.11 3.88 -9.38 20.23 4.46 -9.35 21.17 3 0 12.48 -999 ? ZN ZN B2003 >PRO.B 26 2.76 -10.07 26.81 4.90 -9.65 26.26 3.83 -9.86 26.54 3 0 11.43 -999 ? ZN ZN B2003 >GLN.B 27 6.18 -14.72 26.39 4.16 -14.59 25.66 5.17 -14.65 26.02 2 0 7.28 -999 ? ZN ZN B2003 >VAL^B 28 9.85 -10.26 24.01 9.56 -9.67 21.92 9.70 -9.97 22.97 3 0 14.42 -999 ? ZN ZN B2003 >ALA^B 29 12.99 -9.32 25.96 14.03 -10.36 26.38 13.51 -9.84 26.17 2 0 17.40 -999 ? ZN ZN B2003 >GLU^B 30 16.88 -7.29 24.59 18.95 -7.88 24.75 17.91 -7.58 24.67 2 0 21.92 -999 ? ZN ZN G2004 >VAL^B 31 13.91 -6.57 19.51 11.87 -6.02 18.72 12.89 -6.30 19.11 3 0 19.97 -999 ? ZN ZN B2003 >TYR^B 32 18.09 -5.37 18.66 18.87 -5.22 21.34 18.48 -5.30 20.00 3 0 21.26 -999 ? ZN ZN G2004 >SER^B 33 16.53 -3.90 13.46 15.60 -2.57 11.76 16.07 -3.23 12.61 2 0 25.06 -999 ? ZN ZN G2004 >VAL^B 34 19.53 -5.86 12.10 19.00 -7.83 13.05 19.27 -6.84 12.58 3 0 21.36 -999 ? ZN ZN G2004 >THR.B 35 21.80 -6.18 9.03 23.81 -5.61 9.62 22.80 -5.90 9.33 2 0 18.19 -999 ? ZN ZN G2004 >GLY.B 36 21.59 -9.33 6.89 21.01 -8.79 6.78 21.30 -9.06 6.84 1 0 22.00 -999 ? ZN ZN G2004 >PRO.B 37 19.98 -13.27 6.00 19.43 -11.13 5.55 19.70 -12.20 5.77 3 0 24.87 -999 ? ZN ZN G2004 >TYR.B 38 15.69 -13.23 8.64 14.60 -15.68 7.86 15.14 -14.45 8.25 3 0 23.16 -999 ? ZN ZN B2003 >ASP.B 39 14.11 -6.67 8.34 14.38 -6.43 6.26 14.25 -6.55 7.30 2 0 27.28 -999 ? ZN ZN B2003 >LEU^B 40 12.88 -7.34 13.02 11.69 -5.55 12.96 12.29 -6.44 12.99 3 0 22.02 -999 ? ZN ZN B2003 >VAL^B 41 15.29 -10.10 15.43 17.22 -11.17 15.55 16.25 -10.64 15.49 3 0 21.13 -999 ? ZN ZN B2003 >ALA^B 42 13.31 -10.73 18.58 11.78 -11.01 18.51 12.54 -10.87 18.55 2 0 16.34 -999 ? ZN ZN B2003 >LEU^B 43 16.22 -11.51 22.35 17.65 -12.65 23.56 16.93 -12.08 22.95 3 0 19.01 -999 ? ZN ZN B2003 >VAL^B 44 12.28 -14.05 23.43 10.50 -14.46 22.20 11.39 -14.25 22.82 3 0 13.14 -999 ? ZN ZN B2003 >ARG^B 45 14.90 -14.60 27.65 17.88 -13.95 27.44 16.39 -14.28 27.54 2 0 19.26 -999 ? ZN ZN B2003 >LEU^B 46 9.51 -19.51 26.22 9.15 -19.11 24.09 9.33 -19.31 25.15 3 0 9.45 -999 ? ZN ZN B2003 >LYS.B 47 8.29 -20.33 30.47 2.92 -21.23 29.89 5.61 -20.78 30.18 2 0 6.04 -999 ? ZN ZN B2003 >ASP~B 48 6.05 -23.93 28.50 5.91 -26.02 28.02 5.98 -24.98 28.26 2 0 8.81 -999 ? ZN ZN B2003 >VAL~B 49 7.91 -24.01 24.47 9.01 -25.86 24.04 8.46 -24.94 24.25 3 0 9.62 -999 ? ZN ZN B2003 >GLU~B 50 2.06 -23.31 25.35 0.50 -22.72 24.07 1.28 -23.02 24.71 2 0 -2.41 -999 ? ZN ZN B2003s >GLU~B 51 4.51 -19.61 26.84 5.05 -18.05 28.12 4.78 -18.83 27.48 2 0 6.60 -999 ? ZN ZN B2003 >LEU~B 52 6.87 -20.67 20.01 9.07 -20.82 20.13 7.97 -20.75 20.07 3 0 9.25 -999 ? ZN ZN B2003 >ASP~B 53 1.23 -21.28 20.51 -0.75 -21.23 19.69 0.24 -21.25 20.10 2 0 5.10 -999 ? ZN ZN B2003 >ASP~B 54 1.40 -16.75 23.23 0.16 -18.07 24.23 0.78 -17.41 23.73 2 0 -2.43 -999 ? ZN ZN B2003s >VAL~B 55 4.54 -14.98 20.72 6.36 -14.58 21.92 5.45 -14.78 21.32 3 0 8.58 -999 ? ZN ZN B2003 >VAL~B 56 5.14 -16.24 17.17 7.04 -17.19 16.41 6.09 -16.71 16.79 3 0 10.67 -999 ? ZN ZN B2003 >THR.B 57 2.04 -17.89 15.68 1.30 -19.92 15.56 1.67 -18.90 15.62 2 0 9.23 -999 ? ZN ZN B2003 >GLN.B 58 -1.72 -16.94 18.58 -2.85 -17.28 20.38 -2.28 -17.11 19.48 2 0 6.03 -999 ? ZN ZN B2003 >GLY.B 59 1.90 -12.37 18.50 1.89 -12.74 17.75 1.89 -12.56 18.13 1 0 10.36 -999 ? ZN ZN B2003 >ILE.B 60 5.45 -12.46 15.41 6.80 -12.21 15.62 6.12 -12.34 15.51 3 0 13.71 -999 ? ZN ZN B2003 >LEU.B 61 2.42 -15.40 12.15 4.15 -16.51 11.45 3.29 -15.96 11.80 3 0 14.05 -999 ? ZN ZN B2003 >SER.B 62 -0.92 -12.20 12.92 -1.40 -11.36 15.15 -1.16 -11.78 14.04 2 0 13.24 -999 ? ZN ZN B2003 >LEU.B 63 1.91 -8.27 13.09 2.23 -7.21 14.95 2.07 -7.74 14.02 3 0 16.73 -999 ? ZN ZN B2003 >GLU.B 64 -0.77 -5.06 7.96 0.08 -4.98 5.99 -0.35 -5.02 6.98 2 0 24.26 -999 ? ZN ZN B2003 >GLY.B 65 3.22 -7.02 6.74 3.19 -7.63 7.25 3.20 -7.33 6.99 1 0 22.65 -999 ? ZN ZN B2003 >VAL^B 66 5.28 -9.98 8.01 4.80 -10.65 10.13 5.04 -10.32 9.07 3 0 19.30 -999 ? ZN ZN B2003 >GLU^B 67 6.86 -10.14 3.77 7.81 -9.34 2.09 7.33 -9.74 2.93 2 0 26.37 -999 ? ZN ZN B2003 >ARG^B 68 9.32 -17.65 5.25 11.20 -19.96 4.50 10.26 -18.81 4.88 2 0 23.11 -999 ? ZN ZN B2003 >THR^B 69 9.70 -15.82 10.21 8.54 -15.58 12.01 9.12 -15.70 11.11 2 0 16.06 -999 ? ZN ZN B2003 >GLU^B 70 13.72 -19.93 10.32 15.66 -20.41 9.75 14.69 -20.17 10.04 2 0 21.67 -999 ? ZN ZN B2003 >THR^B 71 12.70 -19.33 15.10 11.14 -19.20 16.66 11.92 -19.26 15.88 2 0 13.82 -999 ? ZN ZN B2003 >LEU^B 72 17.34 -19.76 16.17 17.99 -19.00 14.20 17.67 -19.38 15.19 3 0 20.12 -999 ? ZN ZN B2003 >LEU^B 73 14.05 -23.37 19.72 12.77 -23.70 21.45 13.41 -23.54 20.59 3 0 14.40 -999 ? ZN ZN B2003 >ALA^B 74 17.93 -22.48 22.28 18.36 -21.34 23.15 18.15 -21.91 22.71 2 0 18.49 -999 ? ZN ZN B2003 >PHE^B 75 18.81 -27.58 22.03 20.66 -28.34 20.09 19.73 -27.96 21.06 3 0 21.46 -999 ? ZN ZN B2003 >ARG^B 76 24.39 -28.01 26.54 26.98 -29.30 27.59 25.68 -28.66 27.07 2 0 28.58 -999 ? ZN ZN B2003 >ALA^B 77 23.01 -22.59 27.52 22.37 -21.86 28.68 22.69 -22.23 28.10 2 0 22.81 -999 ? ZN ZN B2003 >TYR.B 78 27.46 -23.45 25.85 26.96 -25.77 24.34 27.21 -24.61 25.09 3 0 24.55 -999 ? ZN ZN G2004 >PRO.B 79 26.68 -21.48 32.19 27.13 -20.17 30.42 26.90 -20.82 31.30 3 0 24.37 -999 ? ZN ZN G2004 >ARG.B 80 32.12 -19.85 34.68 34.30 -17.68 34.59 33.21 -18.77 34.64 2 0 21.50 -999 ? ZN ZN G2004 >MET.C 1 2.00 -49.14 6.34 -1.15 -48.63 7.55 0.43 -48.89 6.94 2 0 33.00 -999 ? ZN ZN B2003 >ILE^C 2 3.81 -46.06 3.10 4.04 -46.31 1.87 3.93 -46.18 2.48 3 0 34.21 -999 ? ZN ZN B2003 >THR^C 3 4.98 -43.31 6.77 5.68 -43.40 8.80 5.33 -43.36 7.78 2 0 28.49 -999 ? ZN ZN B2003 >ALA^C 4 5.41 -39.88 5.21 4.55 -39.53 4.00 4.98 -39.70 4.61 2 0 28.51 -999 ? ZN ZN B2003 >PHE^C 5 8.36 -37.40 8.32 9.13 -39.29 10.24 8.74 -38.35 9.28 3 0 25.19 -999 ? ZN ZN B2003 >VAL^C 6 4.66 -33.71 5.14 2.84 -33.92 3.96 3.75 -33.81 4.55 3 0 24.46 -999 ? ZN ZN B2003 >LEU^C 7 7.55 -29.94 5.40 9.22 -31.23 6.04 8.39 -30.59 5.72 3 0 23.09 -999 ? ZN ZN B2003 >ILE^C 8 2.15 -27.60 5.54 1.53 -28.34 5.66 1.84 -27.97 5.60 3 0 20.59 -999 ? ZN ZN B2003 >ARG^C 9 7.07 -21.17 3.13 9.35 -23.17 2.50 8.21 -22.17 2.82 2 0 24.24 -999 ? ZN ZN B2003 >PRO.C 10 1.07 -23.12 7.30 1.70 -22.17 5.34 1.38 -22.65 6.32 3 0 18.54 -999 ? ZN ZN B2003 >ARG~C 11 -1.98 -15.22 3.59 -4.40 -16.94 2.77 -3.19 -16.08 3.18 2 0 22.62 -999 ? ZN ZN B2003 >GLY~C 12 1.25 -16.50 8.28 0.53 -16.71 7.98 0.89 -16.61 8.13 1 0 16.92 -999 ? ZN ZN B2003 >ASN~C 13 -2.99 -14.51 9.33 -4.22 -14.45 7.58 -3.61 -14.48 8.46 2 0 18.60 -999 ? ZN ZN B2003 >ARG~C 14 -5.73 -18.63 6.20 -7.86 -20.84 6.40 -6.79 -19.73 6.30 2 0 19.88 -999 ? ZN ZN B2003 >VAL~C 15 -1.11 -21.50 10.46 0.97 -21.21 11.27 -0.07 -21.35 10.87 3 0 13.85 -999 ? ZN ZN B2003 >GLN~C 16 -3.18 -21.19 15.30 -3.89 -19.78 16.71 -3.53 -20.48 16.01 2 0 8.88 -999 ? ZN ZN B2003 >ALA~C 17 -6.49 -22.84 10.59 -6.97 -21.74 9.64 -6.73 -22.29 10.11 2 0 16.62 -999 ? ZN ZN B2003 >LEU~C 18 -3.45 -24.88 7.32 -3.74 -23.85 5.41 -3.60 -24.37 6.36 3 0 19.07 -999 ? ZN ZN B2003 >GLY~C 19 -2.97 -27.20 11.21 -3.76 -27.09 10.99 -3.36 -27.15 11.10 1 0 15.35 -999 ? ZN ZN B2003 >GLU~C 20 -6.90 -26.36 14.56 -8.07 -24.73 15.22 -7.49 -25.55 14.89 2 0 -13.13 -999 ? ZN ZN B2003s >ALA~C 21 -7.72 -28.58 9.00 -7.73 -27.55 7.87 -7.72 -28.06 8.43 2 0 19.80 -999 ? ZN ZN B2003 >ILE~C 22 -3.30 -30.79 8.32 -2.99 -30.80 6.99 -3.15 -30.79 7.66 3 0 20.16 -999 ? ZN ZN B2003 >ALA~C 23 -5.55 -32.86 11.66 -5.55 -32.19 13.03 -5.55 -32.53 12.35 2 0 17.43 -999 ? ZN ZN B2003 >GLU~C 24 -10.63 -31.97 11.09 -10.50 -32.62 13.14 -10.56 -32.30 12.12 2 0 19.76 -999 ? ZN ZN B2003 >LEU~C 25 -6.73 -35.28 6.42 -6.79 -33.57 5.05 -6.76 -34.42 5.74 3 0 24.48 -999 ? ZN ZN B2003 >PRO.C 26 -9.67 -39.50 6.31 -8.00 -38.93 7.72 -8.83 -39.21 7.01 3 0 27.23 -999 ? ZN ZN B2003 >GLN.C 27 -4.83 -41.08 4.53 -6.28 -39.74 3.70 -5.56 -40.41 4.11 2 0 29.18 -999 ? ZN ZN B2003 >VAL^C 28 -2.80 -37.79 9.20 -2.57 -35.63 8.91 -2.68 -36.71 9.06 3 0 22.70 -999 ? ZN ZN B2003 >ALA^C 29 -1.65 -39.43 12.47 -0.67 -40.60 12.46 -1.16 -40.02 12.46 2 0 23.57 -999 ? ZN ZN B2003 >GLU^C 30 1.09 -37.94 15.82 2.89 -38.82 16.50 1.99 -38.38 16.16 2 0 20.32 -999 ? ZN ZN B2003 >VAL^C 31 0.45 -32.72 13.09 -1.06 -31.52 12.00 -0.31 -32.12 12.54 3 0 16.84 -999 ? ZN ZN B2003 >TYR^C 32 3.47 -31.95 16.21 3.09 -34.42 17.45 3.28 -33.18 16.83 3 0 15.32 -999 ? ZN ZN B2003 >SER^C 33 3.43 -26.43 14.79 2.44 -24.23 14.78 2.94 -25.33 14.79 2 0 10.88 -999 ? ZN ZN B2003 >VAL^C 34 7.26 -26.44 14.55 7.33 -28.14 13.10 7.29 -27.29 13.83 3 0 14.78 -999 ? ZN ZN B2003 >THR.C 35 10.41 -24.30 14.50 11.71 -24.84 16.17 11.06 -24.57 15.34 2 0 15.16 -999 ? ZN ZN B2003 >GLY.C 36 12.11 -24.01 11.10 11.56 -23.46 11.17 11.84 -23.73 11.14 1 0 18.57 -999 ? ZN ZN B2003 >PRO.C 37 13.22 -24.59 7.08 11.54 -23.43 8.08 12.38 -24.01 7.58 3 0 21.43 -999 ? ZN ZN B2003 >TYR.C 38 8.45 -26.45 5.41 9.25 -26.71 2.72 8.85 -26.58 4.07 3 0 23.27 -999 ? ZN ZN B2003 >ASP.C 39 4.44 -22.79 9.98 5.37 -21.07 9.21 4.90 -21.93 9.59 2 0 16.40 -999 ? ZN ZN B2003 >LEU^C 40 2.12 -27.24 9.52 0.39 -26.18 10.30 1.25 -26.71 9.91 3 0 16.09 -999 ? ZN ZN B2003 >VAL^C 41 4.65 -30.91 9.92 6.78 -31.40 10.19 5.72 -31.16 10.06 3 0 19.02 -999 ? ZN ZN B2003 >ALA^C 42 2.10 -33.69 9.44 0.99 -33.67 8.41 1.54 -33.68 8.93 2 0 20.98 -999 ? ZN ZN B2003 >LEU^C 43 3.49 -37.81 11.71 4.87 -39.48 12.21 4.18 -38.65 11.96 3 0 22.60 -999 ? ZN ZN B2003 >VAL^C 44 1.08 -39.14 7.70 0.37 -38.22 5.82 0.72 -38.68 6.76 3 0 25.58 -999 ? ZN ZN B2003 >ARG^C 45 1.94 -44.34 10.41 3.55 -43.42 12.90 2.75 -43.88 11.66 2 0 26.07 -999 ? ZN ZN B2003 >LEU^C 46 0.06 -43.84 3.06 0.85 -41.94 2.44 0.45 -42.89 2.75 3 0 31.38 -999 ? ZN ZN B2003 >LYS.C 47 -1.77 -47.88 3.17 -5.89 -51.57 3.00 -3.83 -49.72 3.08 2 0 38.38 -999 ? ZN ZN B2003 >ASP~C 48 -1.25 -47.92 -1.47 -3.15 -46.99 -1.66 -2.20 -47.46 -1.56 2 0 37.52 -999 ? ZN ZN B2003 >VAL~C 49 1.76 -44.45 -1.69 3.75 -45.18 -2.28 2.75 -44.82 -1.98 3 0 36.23 -999 ? ZN ZN B2003 >GLU~C 50 -1.22 -45.28 -6.26 0.34 -46.73 -6.05 -0.44 -46.01 -6.15 2 0 38.46 -999 ? ZN ZN J2001 >GLU~C 51 -4.31 -42.77 0.97 -4.72 -44.13 2.55 -4.51 -43.45 1.76 2 0 32.75 -999 ? ZN ZN B2003 >LEU~C 52 0.92 -39.26 -1.40 2.61 -39.26 -0.01 1.77 -39.26 -0.71 3 0 31.65 -999 ? ZN ZN B2003 >ASP~C 53 -3.27 -38.37 -5.09 -4.20 -36.97 -6.38 -3.74 -37.67 -5.73 2 0 35.43 -999 ? ZN ZN B2003 >ASP~C 54 -6.35 -39.10 -0.71 -6.98 -40.50 -2.17 -6.66 -39.80 -1.44 2 0 34.22 -999 ? ZN ZN B2003 >VAL~C 55 -3.71 -36.49 1.64 -2.03 -37.29 2.87 -2.87 -36.89 2.25 3 0 27.95 -999 ? ZN ZN B2003 >VAL~C 56 -1.58 -33.93 -0.28 0.64 -33.97 -0.35 -0.47 -33.95 -0.31 3 0 28.41 -999 ? ZN ZN B2003 >THR.C 57 -3.06 -32.85 -3.66 -2.42 -33.60 -5.61 -2.74 -33.22 -4.63 2 0 33.10 -999 ? ZN ZN B2003 >GLN.C 58 -8.49 -33.56 -4.21 -7.44 -34.28 -5.93 -7.97 -33.92 -5.07 2 0 34.39 -999 ? ZN ZN B2003 >GLY.C 59 -6.42 -33.04 1.21 -6.03 -32.50 0.78 -6.22 -32.77 0.99 1 0 27.39 -999 ? ZN ZN B2003 >ILE.C 60 -2.31 -30.79 2.42 -1.27 -30.89 3.45 -1.79 -30.84 2.93 3 0 24.17 -999 ? ZN ZN B2003 >LEU.C 61 -2.34 -28.91 -2.50 -0.15 -28.91 -2.75 -1.24 -28.91 -2.62 3 0 28.61 -999 ? ZN ZN B2003 >SER.C 62 -6.86 -27.56 -1.93 -8.23 -29.09 -0.65 -7.55 -28.33 -1.29 2 0 27.99 -999 ? ZN ZN B2003 >LEU.C 63 -6.66 -25.98 2.64 -7.39 -27.82 3.65 -7.02 -26.90 3.15 3 0 23.54 -999 ? ZN ZN B2003 >GLU.C 64 -7.33 -19.22 1.68 -6.59 -18.32 -0.10 -6.96 -18.77 0.79 2 0 25.72 -999 ? ZN ZN B2003 >GLY.C 65 -3.28 -20.23 2.31 -3.22 -20.84 1.83 -3.25 -20.53 2.07 1 0 22.60 -999 ? ZN ZN B2003 >VAL.C 66 -0.96 -23.26 1.87 -2.14 -25.12 1.84 -1.55 -24.19 1.86 3 0 23.18 -999 ? ZN ZN B2003 >GLU.C 67 1.93 -19.21 0.76 2.90 -17.72 1.93 2.41 -18.46 1.35 2 0 23.10 -999 ? ZN ZN B2003 >ARG^C 68 6.46 -25.65 -2.21 6.49 -23.14 -4.00 6.48 -24.39 -3.10 2 0 29.54 -999 ? ZN ZN B2003 >THR^C 69 4.35 -28.40 0.65 2.70 -29.74 0.98 3.53 -29.07 0.81 2 0 25.61 -999 ? ZN ZN B2003 >GLU^C 70 9.84 -30.97 0.37 11.69 -30.07 0.80 10.77 -30.52 0.59 2 0 28.30 -999 ? ZN ZN B2003 >THR^C 71 6.76 -34.52 1.34 4.84 -35.45 1.00 5.80 -34.98 1.17 2 0 28.45 -999 ? ZN ZN B2003 >LEU^C 72 10.33 -36.20 4.09 11.33 -34.25 4.27 10.83 -35.22 4.18 3 0 27.51 -999 ? ZN ZN B2003 >LEU^C 73 7.72 -40.53 0.66 6.50 -42.18 0.03 7.11 -41.36 0.34 3 0 32.87 -999 ? ZN ZN B2003 >ALA^C 74 9.85 -43.01 3.92 9.61 -43.24 5.40 9.73 -43.12 4.66 2 0 31.37 -999 ? ZN ZN B2003 >PHE^C 75 12.90 -45.40 0.73 15.45 -44.24 0.66 14.18 -44.82 0.69 3 0 34.12 -999 ? ZN ZN J2001 >ARG^C 76 15.69 -49.41 6.25 17.68 -51.76 6.33 16.69 -50.58 6.29 2 0 39.61 -999 ? ZN ZN J2001 >ALA^C 77 11.94 -48.25 8.69 10.62 -48.85 9.17 11.28 -48.55 8.93 2 0 34.06 -999 ? ZN ZN B2003 >TYR^C 78 16.52 -47.66 10.31 18.03 -47.38 7.99 17.28 -47.52 9.15 3 0 35.69 -999 ? ZN ZN B2003 >PRO.C 79 13.21 -52.57 12.51 13.47 -50.67 13.71 13.34 -51.62 13.11 3 0 35.84 -999 ? ZN ZN B2003 >ARG.C 80 16.13 -52.20 20.46 17.69 -52.87 23.04 16.91 -52.53 21.75 2 0 36.99 -999 ? ZN ZN B2003 >MET.D 1 14.53 -39.13 -30.48 11.35 -39.61 -31.54 12.94 -39.37 -31.01 2 0 19.18 -999 ? ZN ZN J2001 >ILE^D 2 16.21 -35.57 -27.74 17.03 -34.72 -28.12 16.62 -35.14 -27.93 3 0 13.93 -999 ? ZN ZN J2001 >THR^D 3 14.49 -37.59 -23.92 14.22 -39.41 -22.73 14.36 -38.50 -23.33 2 0 17.12 -999 ? ZN ZN J2001 >ALA^D 4 13.82 -34.77 -21.43 13.64 -33.41 -22.07 13.73 -34.09 -21.75 2 0 18.42 -999 ? ZN ZN J2001 >PHE^D 5 13.78 -36.63 -17.04 15.08 -39.07 -17.58 14.43 -37.85 -17.31 3 0 19.44 -999 ? ZN ZN J2001 >VAL^D 6 10.27 -31.49 -17.49 9.28 -30.24 -19.00 9.77 -30.87 -18.24 3 0 24.03 -999 ? ZN ZN J2001 >LEU^D 7 11.27 -30.19 -13.02 12.87 -31.72 -12.72 12.07 -30.95 -12.87 3 0 25.06 -999 ? ZN ZN J2001 >ILE^D 8 5.56 -28.79 -14.16 5.04 -29.07 -15.13 5.30 -28.93 -14.64 3 0 29.99 -999 ? ZN ZN J2001 >ARG^D 9 6.94 -24.21 -7.19 9.96 -24.60 -7.73 8.45 -24.41 -7.46 2 0 32.06 -999 ? ZN ZN J2001 >PRO^D 10 1.59 -27.84 -10.18 2.59 -25.84 -10.47 2.09 -26.84 -10.33 3 0 35.38 -999 ? ZN ZN J2001 >ARG.D 11 -3.12 -21.06 -7.48 -4.20 -20.85 -10.34 -3.66 -20.95 -8.91 2 0 35.27 -999 ? ZN ZN B2003 >GLY.D 12 -1.47 -26.02 -5.45 -1.91 -25.74 -6.02 -1.69 -25.88 -5.73 1 0 30.67 -999 ? ZN ZN B2003 >ASN.D 13 -6.19 -25.17 -6.31 -5.74 -23.25 -7.14 -5.97 -24.21 -6.72 2 0 32.45 -999 ? ZN ZN B2003 >ARG~D 14 -5.59 -24.57 -12.49 -6.13 -23.84 -15.44 -5.86 -24.20 -13.97 2 0 40.72 -999 ? ZN ZN B2003 >VAL~D 15 -2.14 -29.72 -9.74 -0.73 -30.30 -8.15 -1.44 -30.01 -8.95 3 0 34.99 -999 ? ZN ZN B2003 >GLN~D 16 -5.95 -34.65 -9.91 -7.94 -35.26 -9.42 -6.94 -34.96 -9.66 2 0 38.00 -999 ? ZN ZN B2003 >ALA~D 17 -6.01 -30.52 -13.43 -6.73 -29.18 -13.30 -6.37 -29.85 -13.37 2 0 39.55 -999 ? ZN ZN B2003 >LEU~D 18 -1.68 -28.37 -14.22 -1.35 -26.27 -14.71 -1.52 -27.32 -14.46 3 0 36.37 -999 ? ZN ZN J2001 >GLY~D 19 -1.38 -32.89 -14.92 -2.03 -32.56 -15.32 -1.70 -32.72 -15.12 1 0 34.83 -999 ? ZN ZN J2001 >GLU~D 20 -5.97 -35.19 -15.56 -7.76 -34.99 -14.40 -6.87 -35.09 -14.98 2 0 40.68 -999 ? ZN ZN J2001 >ALA~D 21 -3.64 -31.02 -19.45 -3.85 -29.57 -19.10 -3.75 -30.29 -19.27 2 0 36.39 -999 ? ZN ZN J2001 >ILE~D 22 1.08 -32.10 -18.37 2.03 -31.07 -18.58 1.56 -31.59 -18.47 3 0 31.09 -999 ? ZN ZN J2001 >ALA~D 23 -0.69 -35.65 -20.37 -1.62 -36.54 -19.56 -1.16 -36.09 -19.97 2 0 33.15 -999 ? ZN ZN J2001 >GLU~D 24 -4.91 -35.26 -22.64 -4.64 -37.30 -23.26 -4.77 -36.28 -22.95 2 0 35.30 -999 ? ZN ZN J2001 >LEU.D 25 1.46 -32.04 -24.28 1.41 -30.18 -23.14 1.43 -31.11 -23.71 3 0 30.02 -999 ? ZN ZN J2001 >PRO.D 26 1.14 -32.68 -29.26 1.51 -34.20 -27.65 1.32 -33.44 -28.46 3 0 29.27 -999 ? ZN ZN J2001 >GLN.D 27 6.21 -33.40 -28.41 4.77 -31.82 -28.54 5.49 -32.61 -28.47 2 0 26.21 -999 ? ZN ZN J2001 >VAL^D 28 4.57 -36.44 -23.28 3.97 -35.18 -21.60 4.27 -35.81 -22.44 3 0 26.78 -999 ? ZN ZN J2001 >ALA^D 29 5.06 -40.19 -22.87 6.36 -40.88 -23.21 5.71 -40.54 -23.04 2 0 24.65 -999 ? ZN ZN J2001 >GLU^D 30 5.60 -42.69 -18.81 7.22 -43.92 -18.20 6.41 -43.30 -18.50 2 0 25.95 -999 ? ZN ZN J2001 >VAL^D 31 3.59 -37.71 -16.46 2.03 -36.23 -16.97 2.81 -36.97 -16.72 3 0 29.92 -999 ? ZN ZN J2001 >TYR^D 32 4.78 -40.18 -12.99 5.15 -42.55 -14.41 4.97 -41.37 -13.70 3 0 29.54 -999 ? ZN ZN J2001 >SER^D 33 2.59 -36.27 -9.47 0.68 -35.09 -8.48 1.63 -35.68 -8.98 2 0 35.89 -999 ? ZN ZN J2001 >VAL^D 34 5.82 -36.49 -7.43 7.27 -36.28 -9.10 6.55 -36.39 -8.27 3 0 31.28 -999 ? ZN ZN J2001 >THR.D 35 7.36 -35.75 -4.03 7.88 -37.62 -3.11 7.62 -36.69 -3.57 2 0 33.61 -999 ? ZN ZN B2003 >GLY.D 36 9.85 -32.90 -3.74 9.09 -32.64 -3.84 9.47 -32.77 -3.79 1 0 32.57 -999 ? ZN ZN B2003 >PRO.D 37 12.52 -29.97 -5.40 10.41 -29.96 -4.64 11.46 -29.97 -5.02 3 0 31.21 -999 ? ZN ZN J2001 >TYR.D 38 10.18 -28.96 -9.74 11.62 -26.73 -10.53 10.90 -27.84 -10.14 3 0 28.62 -999 ? ZN ZN J2001 >ASP.D 39 3.81 -30.41 -7.79 4.09 -29.17 -6.11 3.95 -29.79 -6.95 2 0 32.27 -999 ? ZN ZN B2003 >LEU^D 40 3.74 -32.03 -12.56 1.58 -31.91 -12.50 2.66 -31.97 -12.53 3 0 32.50 -999 ? ZN ZN J2001 >VAL^D 41 7.29 -34.49 -13.77 9.09 -35.46 -13.00 8.19 -34.98 -13.39 3 0 26.97 -999 ? ZN ZN J2001 >ALA^D 42 6.79 -34.86 -17.54 6.23 -33.71 -18.38 6.51 -34.28 -17.96 2 0 26.46 -999 ? ZN ZN J2001 >LEU^D 43 8.78 -39.02 -19.13 10.42 -40.48 -19.41 9.60 -39.75 -19.27 3 0 22.73 -999 ? ZN ZN J2001 >VAL^D 44 9.04 -36.03 -22.91 8.69 -33.87 -23.17 8.86 -34.95 -23.04 3 0 22.30 -999 ? ZN ZN J2001 >ARG^D 45 10.69 -40.60 -24.75 11.69 -42.61 -22.61 11.19 -41.61 -23.68 2 0 20.03 -999 ? ZN ZN J2001 >LEU^D 46 12.25 -34.15 -28.27 11.70 -32.70 -26.74 11.98 -33.42 -27.50 3 0 18.86 -999 ? ZN ZN J2001 >LYS.D 47 12.18 -35.43 -32.57 13.23 -33.76 -37.61 12.70 -34.60 -35.09 2 0 19.69 -999 ? ZN ZN J2001 >ASP.D 48 15.19 -31.94 -33.41 13.49 -31.02 -34.27 14.34 -31.48 -33.84 2 0 19.00 -999 ? ZN ZN J2001 >VAL.D 49 15.93 -30.21 -29.51 17.82 -29.95 -28.43 16.87 -30.08 -28.97 3 0 15.54 -999 ? ZN ZN J2001 >GLU.D 50 15.39 -26.34 -33.01 16.88 -27.76 -33.58 16.14 -27.05 -33.29 2 0 17.54 -999 ? ZN ZN J2001 >GLU~D 51 8.97 -31.18 -30.90 8.55 -33.28 -31.15 8.76 -32.23 -31.02 2 0 22.34 -999 ? ZN ZN J2001 >LEU~D 52 12.56 -28.07 -25.98 13.20 -28.97 -24.13 12.88 -28.52 -25.05 3 0 20.10 -999 ? ZN ZN J2001 >ASP~D 53 10.06 -24.15 -28.86 8.79 -22.48 -29.14 9.42 -23.31 -29.00 2 0 26.48 -999 ? ZN ZN J2001 >ASP~D 54 6.44 -27.97 -29.88 7.08 -27.17 -31.74 6.76 -27.57 -30.81 2 0 25.75 -999 ? ZN ZN J2001 >VAL~D 55 6.18 -29.01 -25.56 7.26 -30.74 -24.69 6.72 -29.88 -25.13 3 0 25.13 -999 ? ZN ZN J2001 >VAL~D 56 7.33 -26.40 -23.01 9.11 -26.46 -21.68 8.22 -26.43 -22.35 3 0 25.65 -999 ? ZN ZN J2001 >THR.D 57 7.01 -22.78 -24.22 8.54 -21.43 -24.95 7.78 -22.11 -24.59 2 0 27.54 -999 ? ZN ZN J2001 >GLN.D 58 3.71 -21.89 -28.75 5.06 -20.25 -28.42 4.39 -21.07 -28.58 2 0 30.80 -999 ? ZN ZN J2001 >GLY.D 59 2.84 -26.21 -24.49 3.04 -25.55 -24.01 2.94 -25.88 -24.25 1 0 30.11 -999 ? ZN ZN J2001 >ILE.D 60 4.43 -27.27 -20.02 5.07 -28.26 -19.36 4.75 -27.77 -19.69 3 0 28.88 -999 ? ZN ZN J2001 >LEU.D 61 5.23 -22.17 -20.43 7.05 -22.22 -19.25 6.14 -22.19 -19.84 3 0 30.13 -999 ? ZN ZN J2001 >SER.D 62 0.94 -21.68 -22.18 -0.33 -23.43 -23.36 0.31 -22.55 -22.77 2 0 34.27 -999 ? ZN ZN J2001 >LEU.D 63 -1.42 -24.66 -19.21 -1.70 -26.51 -20.32 -1.56 -25.58 -19.77 3 0 35.27 -999 ? ZN ZN J2001 >GLU.D 64 -5.06 -20.63 -15.26 -4.16 -19.11 -14.07 -4.61 -19.87 -14.67 2 0 37.94 -999 ? ZN ZN E2002 >GLY.D 65 -1.41 -21.75 -13.31 -0.91 -21.85 -13.90 -1.16 -21.80 -13.60 1 0 37.87 -999 ? ZN ZN E2002 >VAL^D 66 2.06 -23.09 -14.15 2.05 -24.10 -16.11 2.06 -23.59 -15.13 3 0 34.41 -999 ? ZN ZN J2001 >GLU^D 67 3.20 -21.78 -9.91 2.84 -21.14 -7.93 3.02 -21.46 -8.92 2 0 32.75 -999 ? ZN ZN B2003 >ARG^D 68 10.24 -20.71 -11.26 11.91 -20.64 -8.66 11.07 -20.67 -9.96 2 0 31.20 -999 ? ZN ZN E2002 >THR^D 69 9.39 -25.08 -15.29 8.95 -25.33 -17.44 9.17 -25.20 -16.36 2 0 27.18 -999 ? ZN ZN J2001 >GLU^D 70 15.16 -26.68 -14.16 16.30 -26.65 -12.35 15.73 -26.67 -13.25 2 0 24.25 -999 ? ZN ZN J2001 >THR^D 71 13.92 -28.99 -18.23 13.08 -28.88 -20.23 13.50 -28.94 -19.23 2 0 21.16 -999 ? ZN ZN J2001 >LEU^D 72 16.52 -32.56 -16.44 16.57 -31.77 -14.34 16.54 -32.16 -15.39 3 0 19.92 -999 ? ZN ZN J2001 >LEU^D 73 17.63 -31.63 -22.42 17.93 -31.93 -24.61 17.78 -31.78 -23.51 3 0 14.83 -999 ? ZN ZN J2001 >ALA^D 74 19.07 -36.11 -21.79 18.30 -37.42 -21.64 18.69 -36.76 -21.72 2 0 13.84 -999 ? ZN ZN J2001 >PHE^D 75 23.86 -34.63 -23.00 25.58 -34.34 -20.82 24.72 -34.49 -21.91 3 0 9.38 -999 ? ZN ZN J2001 >ARG^D 76 27.03 -40.97 -22.65 29.39 -42.82 -22.15 28.21 -41.90 -22.40 2 0 8.12 -999 ? ZN ZN J2001 >ALA^D 77 21.94 -42.74 -22.61 20.91 -43.37 -23.52 21.42 -43.05 -23.07 2 0 11.91 -999 ? ZN ZN J2001 >TYR.D 78 24.81 -44.15 -19.15 26.32 -41.78 -18.93 25.57 -42.96 -19.04 3 0 11.76 -999 ? ZN ZN J2001 >PRO.D 79 23.97 -48.97 -23.37 22.45 -48.47 -21.79 23.21 -48.72 -22.58 3 0 14.17 -999 ? ZN ZN J2001 >ARG.D 80 25.19 -53.81 -20.43 26.22 -56.09 -18.61 25.70 -54.95 -19.52 2 0 21.06 -999 ? ZN ZN J2001 >MET.E 1 34.79 -5.10 -27.43 32.43 -4.18 -29.89 33.61 -4.64 -28.66 2 0 13.97 -999 ? ZN ZN E2002 >ILE^E 2 32.92 -5.20 -23.09 33.19 -4.42 -22.16 33.05 -4.81 -22.63 3 0 12.67 -999 ? ZN ZN E2002 >THR^E 3 31.04 -9.46 -24.06 31.31 -11.30 -25.24 31.18 -10.38 -24.65 2 0 17.44 -999 ? ZN ZN E2002 >ALA^E 4 28.27 -10.13 -21.56 27.61 -8.90 -20.94 27.94 -9.51 -21.25 2 0 13.80 -999 ? ZN ZN E2002 >PHE^E 5 27.42 -14.88 -21.48 29.55 -15.76 -23.05 28.48 -15.32 -22.26 3 0 20.18 -999 ? ZN ZN E2002 >VAL^E 6 22.40 -11.70 -19.81 21.66 -9.59 -20.08 22.03 -10.65 -19.94 3 0 15.47 -999 ? ZN ZN E2002 >LEU^E 7 20.88 -15.22 -16.97 22.86 -16.30 -17.00 21.87 -15.76 -16.99 3 0 21.07 -999 ? ZN ZN E2002 >ILE^E 8 16.20 -12.84 -19.41 16.14 -11.86 -20.29 16.17 -12.35 -19.85 3 0 18.87 -999 ? ZN ZN E2002 >ARG^E 9 12.49 -16.84 -13.02 14.60 -17.67 -10.91 13.54 -17.26 -11.96 2 0 26.78 -999 ? ZN ZN E2002 >PRO^E 10 10.84 -15.25 -19.74 10.97 -14.12 -17.79 10.91 -14.68 -18.76 3 0 23.68 -999 ? ZN ZN E2002 >ARG.E 11 3.07 -13.39 -16.26 3.11 -10.68 -17.74 3.09 -12.03 -17.00 2 0 26.51 -999 ? ZN ZN E2002 >GLY.E 12 6.03 -17.90 -18.46 5.93 -17.12 -18.66 5.98 -17.51 -18.56 1 0 29.18 -999 ? ZN ZN E2002 >ASN.E 13 2.16 -16.32 -20.92 1.73 -14.91 -19.36 1.94 -15.62 -20.14 2 0 29.96 -999 ? ZN ZN E2002 >ARG~E 14 4.33 -11.23 -21.43 5.19 -9.07 -23.42 4.76 -10.15 -22.42 2 0 23.50 -999 ? ZN ZN E2002 >VAL~E 15 9.05 -15.97 -23.27 9.74 -18.02 -22.72 9.39 -16.99 -23.00 3 0 26.17 -999 ? ZN ZN E2002 >GLN~E 16 7.46 -16.23 -29.30 6.09 -17.47 -30.36 6.77 -16.85 -29.83 2 0 29.65 -999 ? ZN ZN E2002 >ALA~E 17 7.44 -12.06 -27.09 6.18 -11.45 -26.45 6.81 -11.76 -26.77 2 0 24.51 -999 ? ZN ZN E2002 >LEU~E 18 10.52 -11.36 -23.39 9.76 -9.98 -21.91 10.14 -10.67 -22.65 3 0 20.78 -999 ? ZN ZN E2002 >GLY~E 19 12.77 -13.27 -26.94 12.26 -12.65 -27.17 12.52 -12.96 -27.06 1 0 21.67 -999 ? ZN ZN E2002 >GLU~E 20 9.85 -13.14 -31.23 7.79 -13.45 -31.58 8.82 -13.30 -31.40 2 0 26.08 -999 ? ZN ZN E2002 >ALA~E 21 11.86 -8.13 -28.52 11.01 -7.64 -27.33 11.43 -7.88 -27.92 2 0 18.69 -999 ? ZN ZN E2002 >ILE~E 22 15.72 -9.65 -25.82 16.00 -9.99 -24.54 15.86 -9.82 -25.18 3 0 16.85 -999 ? ZN ZN E2002 >ALA~E 23 16.58 -9.86 -30.44 15.89 -10.90 -31.31 16.24 -10.38 -30.87 2 0 19.67 -999 ? ZN ZN E2002 >GLU~E 24 13.67 -6.82 -33.09 14.57 -7.33 -34.94 14.12 -7.08 -34.02 2 0 19.82 -999 ? ZN ZN E2002 >LEU~E 25 18.11 -4.66 -27.86 16.49 -4.41 -26.40 17.30 -4.53 -27.13 3 0 12.38 -999 ? ZN ZN E2002 >PRO.E 26 20.63 -1.07 -30.15 20.56 -3.23 -30.77 20.60 -2.15 -30.46 3 0 11.08 -999 ? ZN ZN E2002 >GLN.E 27 24.75 -2.56 -27.59 23.17 -1.23 -27.07 23.96 -1.89 -27.33 2 0 7.45 -999 ? ZN ZN E2002 >VAL^E 28 22.24 -8.11 -28.76 20.45 -8.58 -27.62 21.34 -8.35 -28.19 3 0 14.37 -999 ? ZN ZN E2002 >ALA^E 29 24.26 -10.43 -31.02 25.71 -10.79 -30.79 24.99 -10.61 -30.90 2 0 17.45 -999 ? ZN ZN E2002 >GLU^E 30 24.42 -14.74 -31.13 25.58 -16.52 -31.18 25.00 -15.63 -31.16 2 0 22.13 -999 ? ZN ZN J2001 >VAL^E 31 19.36 -14.61 -27.96 17.59 -13.18 -27.95 18.47 -13.89 -27.96 3 0 20.05 -999 ? ZN ZN E2002 >TYR^E 32 20.11 -18.94 -28.19 21.99 -18.75 -30.24 21.05 -18.85 -29.21 3 0 21.25 -999 ? ZN ZN J2001 >SER^E 33 15.44 -19.85 -25.13 13.12 -20.20 -24.71 14.28 -20.03 -24.92 2 0 25.01 -999 ? ZN ZN J2001 >VAL^E 34 17.44 -22.21 -22.87 18.97 -20.70 -22.34 18.21 -21.45 -22.61 3 0 21.33 -999 ? ZN ZN J2001 >THR.E 35 17.03 -25.05 -20.36 17.88 -26.94 -21.13 17.45 -26.00 -20.75 2 0 18.20 -999 ? ZN ZN J2001 >GLY.E 36 17.76 -24.27 -16.69 17.02 -24.07 -16.89 17.39 -24.17 -16.79 1 0 22.06 -999 ? ZN ZN J2001 >PRO.E 37 18.83 -22.58 -12.94 17.07 -22.32 -14.32 17.95 -22.45 -13.63 3 0 24.85 -999 ? ZN ZN J2001 >TYR.E 38 18.24 -17.31 -15.44 18.90 -15.79 -13.18 18.57 -16.55 -14.31 3 0 23.24 -999 ? ZN ZN E2002 >ASP.E 39 13.06 -18.68 -19.48 12.16 -19.44 -17.76 12.61 -19.06 -18.62 2 0 27.23 -999 ? ZN ZN E2002 >LEU^E 40 15.54 -15.59 -22.50 13.71 -15.35 -23.63 14.63 -15.47 -23.07 3 0 22.19 -999 ? ZN ZN E2002 >VAL^E 41 19.96 -15.78 -22.50 21.67 -17.08 -21.86 20.81 -16.43 -22.18 3 0 21.18 -999 ? ZN ZN E2002 >ALA^E 42 21.06 -12.81 -24.50 20.41 -11.39 -24.39 20.73 -12.10 -24.45 2 0 16.45 -999 ? ZN ZN E2002 >LEU^E 43 25.23 -13.72 -26.60 27.34 -14.03 -26.94 26.28 -13.88 -26.77 3 0 18.93 -999 ? ZN ZN E2002 >VAL^E 44 25.65 -9.01 -25.90 24.32 -7.64 -24.72 24.99 -8.33 -25.31 3 0 13.11 -999 ? ZN ZN E2002 >ARG^E 45 29.50 -9.81 -28.77 30.55 -12.66 -29.14 30.03 -11.23 -28.96 2 0 19.39 -999 ? ZN ZN E2002 >LEU^E 46 29.25 -3.63 -24.45 27.71 -4.39 -23.11 28.48 -4.01 -23.78 3 0 9.49 -999 ? ZN ZN E2002 >LYS.E 47 31.89 -0.94 -26.86 29.14 3.95 -26.91 30.52 1.51 -26.89 2 0 6.58 -999 ? ZN ZN E2002 >ASP~E 48 31.72 1.73 -23.06 32.51 2.58 -21.24 32.11 2.15 -22.15 2 0 8.41 -999 ? ZN ZN E2002 >VAL~E 49 30.42 -1.45 -20.08 31.93 -1.92 -18.51 31.17 -1.68 -19.30 3 0 9.65 -999 ? ZN ZN E2002 >GLU~E 50 27.40 4.08 -19.70 26.14 4.32 -21.40 26.77 4.20 -20.55 2 0 -2.01 -999 ? ZN ZN E2002s >GLU~E 51 27.30 0.80 -24.68 27.41 0.15 -26.66 27.35 0.48 -25.67 2 0 6.76 -999 ? ZN ZN E2002 >LEU~E 52 25.38 -2.90 -18.93 26.35 -4.89 -18.86 25.86 -3.89 -18.90 3 0 9.16 -999 ? ZN ZN E2002 >ASP~E 53 23.14 2.30 -18.88 21.70 3.71 -18.16 22.42 3.00 -18.52 2 0 5.07 -999 ? ZN ZN E2002 >ASP~E 54 22.00 1.44 -23.80 22.91 3.31 -23.38 22.45 2.37 -23.59 2 0 -2.11 -999 ? ZN ZN E2002s >VAL~E 55 20.80 -2.80 -23.16 22.23 -4.52 -23.53 21.51 -3.66 -23.34 3 0 8.65 -999 ? ZN ZN E2002 >VAL~E 56 19.82 -4.07 -19.68 20.81 -5.70 -18.51 20.32 -4.89 -19.10 3 0 10.70 -999 ? ZN ZN E2002 >THR.E 57 18.39 -1.25 -17.53 19.38 0.07 -16.14 18.89 -0.59 -16.84 2 0 9.13 -999 ? ZN ZN E2002 >GLN.E 58 17.76 2.63 -20.22 18.64 4.31 -21.19 18.20 3.47 -20.70 2 0 5.88 -999 ? ZN ZN E2002 >GLY.E 59 16.45 -2.18 -23.20 16.26 -2.28 -22.43 16.35 -2.23 -22.82 1 0 10.38 -999 ? ZN ZN E2002 >ILE.E 60 16.60 -6.36 -20.86 17.17 -7.73 -20.94 16.89 -7.05 -20.90 3 0 13.81 -999 ? ZN ZN E2002 >LEU.E 61 15.24 -3.87 -16.58 16.33 -5.22 -15.23 15.79 -4.55 -15.90 3 0 14.04 -999 ? ZN ZN E2002 >SER.E 62 11.73 -1.93 -19.14 12.33 -1.01 -21.31 12.03 -1.47 -20.22 2 0 13.28 -999 ? ZN ZN E2002 >LEU.E 63 10.64 -5.80 -21.80 11.28 -5.71 -23.88 10.96 -5.75 -22.84 3 0 16.87 -999 ? ZN ZN E2002 >GLU.E 64 4.37 -6.45 -19.88 3.54 -7.63 -18.34 3.96 -7.04 -19.11 2 0 24.43 -999 ? ZN ZN E2002 >GLY.E 65 6.97 -9.67 -17.96 7.60 -9.21 -17.79 7.29 -9.44 -17.88 1 0 22.85 -999 ? ZN ZN E2002 >VAL^E 66 10.71 -9.74 -17.09 11.82 -8.21 -18.25 11.26 -8.97 -17.67 3 0 19.36 -999 ? ZN ZN E2002 >GLU^E 67 8.68 -12.43 -13.50 7.80 -14.23 -12.82 8.24 -13.33 -13.16 2 0 26.75 -999 ? ZN ZN E2002 >ARG^E 68 14.73 -11.32 -9.64 13.98 -11.79 -6.67 14.35 -11.55 -8.16 2 0 24.88 -999 ? ZN ZN E2002 >THR^E 69 17.79 -10.58 -14.66 18.15 -8.82 -15.96 17.97 -9.70 -15.31 2 0 16.01 -999 ? ZN ZN E2002 >GLU^E 70 22.93 -13.24 -13.07 23.13 -14.10 -11.19 23.03 -13.67 -12.13 2 0 21.70 -999 ? ZN ZN E2002 >THR^E 71 24.40 -10.24 -16.13 24.48 -8.33 -17.23 24.44 -9.29 -16.68 2 0 13.78 -999 ? ZN ZN E2002 >LEU^E 72 27.61 -13.73 -16.73 26.39 -15.29 -15.70 27.00 -14.51 -16.21 3 0 20.10 -999 ? ZN ZN E2002 >LEU^E 73 30.34 -8.34 -16.95 31.07 -6.53 -17.94 30.70 -7.44 -17.44 3 0 14.33 -999 ? ZN ZN E2002 >ALA^E 74 33.20 -11.19 -19.37 33.16 -11.71 -20.77 33.18 -11.45 -20.07 2 0 18.45 -999 ? ZN ZN E2002 >PHE^E 75 36.89 -10.20 -15.79 37.34 -12.18 -13.88 37.11 -11.19 -14.84 3 0 21.52 -999 ? ZN ZN E2002 >ARG^E 76 42.07 -13.66 -19.07 44.91 -14.78 -18.77 43.49 -14.22 -18.92 2 0 28.35 -999 ? ZN ZN E2002 >ALA^E 77 38.76 -13.75 -23.36 38.69 -13.01 -24.67 38.72 -13.38 -24.01 2 0 22.67 -999 ? ZN ZN E2002 >TYR.E 78 40.71 -17.77 -21.60 40.95 -16.95 -18.92 40.83 -17.36 -20.26 3 0 24.67 -999 ? ZN ZN J2001 >PRO.E 79 42.53 -15.37 -27.51 41.07 -17.05 -27.11 41.80 -16.21 -27.31 3 0 24.71 -999 ? ZN ZN J2001 >ARG.E 80 46.22 -20.80 -30.79 45.58 -23.77 -31.33 45.90 -22.29 -31.06 2 0 21.10 -999 ? ZN ZN J2001 >MET.F 1 37.85 4.64 -14.05 41.22 4.83 -12.87 39.53 4.74 -13.46 2 0 19.34 -999 ? ZN ZN E2002 >ILE^F 2 35.51 0.35 -14.47 34.85 -0.53 -15.47 35.18 -0.09 -14.97 3 0 13.86 -999 ? ZN ZN E2002 >THR^F 3 34.40 0.76 -10.06 33.91 2.11 -8.44 34.15 1.43 -9.25 2 0 17.05 -999 ? ZN ZN E2002 >ALA^F 4 33.88 -2.80 -8.80 34.75 -3.84 -9.47 34.32 -3.32 -9.13 2 0 18.52 -999 ? ZN ZN E2002 >PHE^F 5 31.02 -2.61 -4.83 30.32 0.12 -4.83 30.67 -1.24 -4.83 3 0 19.50 -999 ? ZN ZN E2002 >VAL^F 6 34.78 -7.53 -4.87 36.58 -8.08 -6.05 35.68 -7.81 -5.46 3 0 23.76 -999 ? ZN ZN E2002 >LEU^F 7 31.71 -10.10 -2.37 30.06 -8.61 -2.58 30.89 -9.35 -2.47 3 0 23.20 -999 ? ZN ZN G2004 >ILE^F 8 37.14 -11.65 -0.47 37.94 -11.02 -0.73 37.54 -11.33 -0.60 3 0 20.35 -999 ? ZN ZN G2004 >ARG^F 9 32.42 -18.19 2.00 30.08 -17.10 0.27 31.25 -17.64 1.13 2 0 24.10 -999 ? ZN ZN G2004 >PRO^F 10 37.98 -14.41 4.53 37.63 -15.92 2.92 37.81 -15.16 3.72 3 0 18.27 -999 ? ZN ZN G2004 >ARG.F 11 41.25 -22.37 6.05 44.11 -21.50 5.36 42.68 -21.94 5.71 2 0 21.89 -999 ? ZN ZN G2004 >GLY.F 12 38.22 -18.03 8.72 38.92 -18.19 8.48 38.57 -18.11 8.60 1 0 16.71 -999 ? ZN ZN G2004 >ASN.F 13 42.65 -19.04 10.62 42.72 -20.75 9.34 42.69 -19.90 9.98 2 0 18.86 -999 ? ZN ZN G2004 >ARG~F 14 45.17 -17.96 5.85 47.53 -16.30 4.80 46.35 -17.13 5.33 2 0 19.67 -999 ? ZN ZN G2004 >VAL~F 15 40.64 -12.97 7.21 38.63 -12.59 8.10 39.64 -12.78 7.66 3 0 13.60 -999 ? ZN ZN G2004 >GLN~F 16 43.08 -9.74 10.82 43.38 -10.14 12.88 43.23 -9.94 11.85 2 0 8.74 -999 ? ZN ZN G2004 >ALA~F 17 46.15 -12.04 6.31 46.50 -13.54 6.32 46.33 -12.79 6.32 2 0 16.58 -999 ? ZN ZN G2004 >LEU~F 18 42.79 -12.74 2.82 43.10 -14.72 1.96 42.95 -13.73 2.39 3 0 18.80 -999 ? ZN ZN G2004 >GLY~F 19 42.63 -8.41 4.21 43.39 -8.66 4.04 43.01 -8.54 4.12 1 0 15.06 -999 ? ZN ZN G2004 >GLU~F 20 46.58 -6.83 6.99 47.75 -7.54 8.57 47.17 -7.18 7.78 2 0 -13.12 -999 ? ZN ZN G2004s >ALA~F 21 47.33 -8.56 1.29 47.38 -10.07 1.08 47.35 -9.31 1.18 2 0 19.80 -999 ? ZN ZN G2004 >ILE~F 22 42.76 -7.57 -0.50 42.43 -8.46 -1.46 42.60 -8.02 -0.98 3 0 19.96 -999 ? ZN ZN G2004 >ALA~F 23 45.03 -3.79 0.54 45.02 -3.39 2.01 45.03 -3.59 1.28 2 0 17.33 -999 ? ZN ZN G2004 >GLU.F 24 50.14 -4.90 0.74 49.85 -2.99 1.69 49.99 -3.95 1.21 2 0 19.67 -999 ? ZN ZN G2004 >LEU.F 25 45.85 -5.32 -4.97 45.92 -7.46 -5.15 45.89 -6.39 -5.06 3 0 24.39 -999 ? ZN ZN G2004 >PRO.F 26 48.81 -2.58 -8.11 47.35 -1.88 -6.49 48.08 -2.23 -7.30 3 0 27.19 -999 ? ZN ZN G2004 >GLN.F 27 44.03 -2.34 -10.11 45.58 -3.81 -9.90 44.81 -3.08 -10.01 2 0 25.94 -999 ? ZN ZN E2002 >VAL^F 28 42.15 -1.51 -4.33 42.08 -3.31 -3.05 42.12 -2.41 -3.69 3 0 22.38 -999 ? ZN ZN G2004 >ALA^F 29 41.14 1.87 -2.90 40.21 2.85 -3.61 40.67 2.36 -3.26 2 0 23.27 -999 ? ZN ZN G2004 >GLU^F 30 38.23 2.77 0.52 36.38 3.82 0.63 37.30 3.30 0.58 2 0 19.95 -999 ? ZN ZN G2004 >VAL^F 31 39.10 -2.99 1.69 40.66 -4.55 1.60 39.88 -3.77 1.65 3 0 16.82 -999 ? ZN ZN G2004 >TYR^F 32 36.01 -1.70 4.51 36.34 1.00 3.95 36.17 -0.35 4.23 3 0 15.23 -999 ? ZN ZN G2004 >SER^F 33 36.12 -6.61 7.18 37.60 -7.96 8.48 36.86 -7.28 7.83 2 0 10.76 -999 ? ZN ZN G2004 >VAL^F 34 32.31 -6.65 6.95 32.16 -6.39 4.74 32.24 -6.52 5.85 3 0 14.77 -999 ? ZN ZN G2004 >THR.F 35 29.18 -8.28 8.37 28.01 -6.81 9.38 28.60 -7.55 8.87 2 0 14.95 -999 ? ZN ZN G2004 >GLY.F 36 27.33 -10.66 6.03 27.95 -10.99 6.43 27.64 -10.82 6.23 1 0 18.56 -999 ? ZN ZN G2004 >PRO.F 37 26.19 -13.13 2.78 27.89 -13.16 4.29 27.04 -13.15 3.53 3 0 21.37 -999 ? ZN ZN G2004 >TYR.F 38 31.03 -12.70 0.17 30.17 -14.19 -2.05 30.60 -13.44 -0.94 3 0 23.19 -999 ? ZN ZN G2004 >ASP.F 39 35.01 -12.42 6.08 34.01 -14.14 6.70 34.51 -13.28 6.39 2 0 16.21 -999 ? ZN ZN G2004 >LEU^F 40 37.42 -9.43 2.73 39.23 -9.64 3.98 38.32 -9.53 3.36 3 0 15.96 -999 ? ZN ZN G2004 >VAL^F 41 34.81 -6.51 0.56 32.76 -5.67 0.38 33.79 -6.09 0.47 3 0 18.99 -999 ? ZN ZN G2004 >ALA^F 42 37.29 -4.71 -1.70 38.52 -5.38 -2.39 37.90 -5.05 -2.05 2 0 20.89 -999 ? ZN ZN G2004 >LEU^F 43 35.99 -0.09 -2.58 34.82 1.61 -3.38 35.40 0.76 -2.98 3 0 22.49 -999 ? ZN ZN G2004 >VAL^F 44 38.44 -1.51 -6.53 39.27 -3.50 -7.15 38.85 -2.51 -6.84 3 0 22.35 -999 ? ZN ZN E2002 >ARG^F 45 37.54 3.46 -7.45 35.47 4.92 -5.67 36.50 4.19 -6.56 2 0 20.07 -999 ? ZN ZN E2002 >LEU^F 46 39.08 -1.29 -13.10 38.84 -3.16 -12.08 38.96 -2.22 -12.59 3 0 18.78 -999 ? ZN ZN E2002 >LYS.F 47 41.41 1.47 -15.85 45.79 3.58 -18.60 43.60 2.52 -17.22 2 0 21.75 -999 ? ZN ZN E2002 >ASP.F 48 39.90 -1.26 -19.29 41.88 -2.04 -19.24 40.89 -1.65 -19.26 2 0 18.92 -999 ? ZN ZN E2002 >VAL.F 49 37.23 -4.14 -17.45 35.28 -4.54 -18.34 36.26 -4.34 -17.90 3 0 15.43 -999 ? ZN ZN E2002 >GLU.F 50 40.13 -6.47 -21.09 39.03 -4.82 -21.88 39.58 -5.64 -21.48 2 0 17.33 -999 ? ZN ZN E2002 >GLU~F 51 43.48 -3.42 -14.09 43.92 -1.45 -13.50 43.70 -2.43 -13.80 2 0 22.25 -999 ? ZN ZN E2002 >LEU~F 52 38.31 -7.52 -13.65 36.60 -7.29 -12.30 37.45 -7.41 -12.97 3 0 19.99 -999 ? ZN ZN E2002 >ASP~F 53 42.45 -10.50 -15.74 43.20 -12.48 -15.86 42.82 -11.49 -15.80 2 0 26.13 -999 ? ZN ZN E2002 >ASP~F 54 45.65 -7.17 -13.11 45.66 -6.91 -15.22 45.65 -7.04 -14.17 2 0 25.15 -999 ? ZN ZN E2002 >VAL~F 55 43.07 -7.84 -9.45 41.51 -6.20 -9.20 42.29 -7.02 -9.33 3 0 24.95 -999 ? ZN ZN E2002 >VAL~F 56 40.79 -10.86 -9.07 38.58 -10.88 -9.06 39.68 -10.87 -9.07 3 0 25.42 -999 ? ZN ZN E2002 >THR.F 57 42.23 -13.83 -11.04 41.49 -14.66 -12.90 41.86 -14.25 -11.97 2 0 27.34 -999 ? ZN ZN E2002 >GLN.F 58 46.46 -12.41 -13.16 46.72 -14.45 -13.79 46.59 -13.43 -13.48 2 0 30.48 -999 ? ZN ZN E2002 >GLY.F 59 45.66 -10.77 -7.58 45.22 -11.43 -7.55 45.44 -11.10 -7.56 1 0 27.43 -999 ? ZN ZN G2004 >ILE.F 60 41.60 -11.58 -4.94 40.52 -10.91 -4.21 41.06 -11.25 -4.57 3 0 24.03 -999 ? ZN ZN G2004 >LEU.F 61 41.56 -16.02 -7.56 39.37 -16.17 -7.69 40.46 -16.09 -7.62 3 0 28.54 -999 ? ZN ZN G2004 >SER.F 62 46.13 -16.43 -6.44 47.56 -14.48 -6.34 46.85 -15.45 -6.39 2 0 27.86 -999 ? ZN ZN G2004 >LEU.F 63 45.76 -14.56 -1.98 46.71 -12.58 -2.14 46.23 -13.57 -2.06 3 0 23.36 -999 ? ZN ZN G2004 >GLU.F 64 47.46 -19.49 2.08 46.38 -21.31 2.06 46.92 -20.40 2.07 2 0 24.41 -999 ? ZN ZN G2004 >GLY.F 65 43.02 -19.23 1.70 42.92 -18.94 1.00 42.97 -19.09 1.35 1 0 22.55 -999 ? ZN ZN G2004 >VAL^F 66 40.37 -17.69 -0.61 41.44 -16.34 -1.99 40.91 -17.02 -1.30 3 0 23.41 -999 ? ZN ZN G2004 >GLU^F 67 37.21 -21.03 1.43 36.13 -21.58 3.16 36.67 -21.31 2.29 2 0 23.19 -999 ? ZN ZN G2004 >ARG^F 68 32.78 -19.96 -4.34 30.63 -22.19 -4.53 31.70 -21.07 -4.43 2 0 28.83 -999 ? ZN ZN J2001 >THR^F 69 35.08 -14.35 -4.72 36.44 -13.45 -6.17 35.76 -13.90 -5.45 2 0 26.39 -999 ? ZN ZN G2004 >GLU^F 70 29.66 -12.84 -6.57 27.71 -12.58 -5.78 28.69 -12.71 -6.17 2 0 24.01 -999 ? ZN ZN E2002 >THR^F 71 32.58 -9.20 -8.27 34.39 -8.53 -9.31 33.49 -8.87 -8.79 2 0 20.96 -999 ? ZN ZN E2002 >LEU^F 72 29.07 -6.10 -7.31 28.12 -7.56 -5.90 28.59 -6.83 -6.61 3 0 19.85 -999 ? ZN ZN E2002 >LEU^F 73 31.62 -4.91 -12.68 33.39 -4.16 -13.70 32.51 -4.54 -13.19 3 0 15.21 -999 ? ZN ZN E2002 >ALA^F 74 29.56 -0.81 -11.65 30.01 0.29 -10.68 29.78 -0.26 -11.16 2 0 13.64 -999 ? ZN ZN E2002 >PHE^F 75 26.50 -1.32 -15.73 23.91 -2.16 -15.15 25.20 -1.74 -15.44 3 0 9.34 -999 ? ZN ZN E2002 >ARG^F 76 23.22 4.91 -15.14 20.87 6.80 -15.45 22.04 5.85 -15.30 2 0 8.13 -999 ? ZN ZN E2002 >ALA^F 77 27.03 5.94 -11.49 28.30 6.74 -11.29 27.67 6.34 -11.39 2 0 12.00 -999 ? ZN ZN E2002 >TYR.F 78 22.38 6.39 -10.32 21.34 4.29 -11.84 21.86 5.34 -11.08 3 0 11.63 -999 ? ZN ZN E2002 >PRO.F 79 25.38 12.25 -11.36 25.41 11.00 -9.49 25.39 11.62 -10.42 3 0 13.99 -999 ? ZN ZN E2002 >ARG.F 80 21.15 15.99 -8.11 19.39 17.73 -6.23 20.27 16.86 -7.17 2 0 21.51 -999 ? ZN ZN E2002 >MET.G 1 26.21 -0.28 23.57 28.36 -1.91 26.06 27.29 -1.10 24.82 2 0 13.88 -999 ? ZN ZN G2004 >ILE^G 2 26.96 -1.71 19.08 27.49 -1.01 18.19 27.23 -1.36 18.64 3 0 12.84 -999 ? ZN ZN G2004 >THR^G 3 24.32 -5.52 20.09 22.55 -6.15 21.27 23.43 -5.84 20.68 2 0 17.43 -999 ? ZN ZN G2004 >ALA^G 4 25.06 -8.26 17.54 26.44 -8.23 16.91 25.75 -8.25 17.22 2 0 13.82 -999 ? ZN ZN G2004 >PHE^G 5 21.37 -11.39 17.48 19.52 -9.95 19.03 20.44 -10.67 18.26 3 0 20.19 -999 ? ZN ZN G2004 >VAL^G 6 26.64 -14.14 15.76 28.82 -13.75 16.02 27.73 -13.95 15.89 3 0 15.43 -999 ? ZN ZN G2004 >LEU^G 7 24.35 -17.18 12.96 22.38 -16.13 13.22 23.36 -16.65 13.09 3 0 21.02 -999 ? ZN ZN G2004 >ILE^G 8 28.79 -20.07 15.45 29.68 -19.59 16.32 29.23 -19.83 15.89 3 0 18.70 -999 ? ZN ZN G2004 >ARG^G 9 26.96 -25.00 8.90 25.51 -22.83 7.22 26.24 -23.91 8.06 2 0 25.73 -999 ? ZN ZN G2004 >PRO^G 10 29.25 -25.74 15.69 30.16 -25.23 13.68 29.71 -25.49 14.69 3 0 23.52 -999 ? ZN ZN G2004 >ARG.G 11 34.84 -31.69 12.58 37.28 -30.08 13.59 36.06 -30.88 13.09 2 0 26.12 -999 ? ZN ZN G2004 >GLY.G 12 29.44 -31.51 14.55 30.18 -31.23 14.75 29.81 -31.37 14.65 1 0 29.13 -999 ? ZN ZN G2004 >ASN.G 13 32.81 -34.02 16.87 34.16 -33.61 15.27 33.48 -33.82 16.07 2 0 29.78 -999 ? ZN ZN G2004 >ARG~G 14 36.11 -29.59 17.58 37.55 -27.64 19.46 36.83 -28.62 18.52 2 0 23.24 -999 ? ZN ZN G2004 >VAL~G 15 29.69 -27.81 19.23 27.57 -28.16 18.60 28.63 -27.98 18.91 3 0 25.93 -999 ? ZN ZN G2004 >GLN~G 16 29.23 -29.78 24.84 30.23 -30.75 26.43 29.73 -30.27 25.63 2 0 29.00 -999 ? ZN ZN G2004 >ALA~G 17 33.75 -27.32 23.06 34.87 -28.06 22.33 34.31 -27.69 22.69 2 0 24.34 -999 ? ZN ZN G2004 >LEU~G 18 32.80 -24.24 19.43 34.34 -24.33 17.90 33.57 -24.29 18.67 3 0 20.69 -999 ? ZN ZN G2004 >GLY~G 19 30.06 -23.20 23.00 30.85 -23.34 23.22 30.45 -23.27 23.11 1 0 21.50 -999 ? ZN ZN G2004 >GLU~G 20 31.62 -25.65 27.15 32.27 -27.58 27.75 31.94 -26.61 27.45 2 0 25.94 -999 ? ZN ZN G2004 >ALA~G 21 35.03 -21.49 24.39 35.78 -22.00 23.15 35.41 -21.75 23.77 2 0 18.51 -999 ? ZN ZN G2004 >ILE~G 22 31.77 -18.85 21.81 31.37 -18.77 20.50 31.57 -18.81 21.15 3 0 16.65 -999 ? ZN ZN G2004 >ALA~G 23 31.15 -18.18 26.45 30.57 -19.27 27.34 30.86 -18.73 26.89 2 0 19.48 -999 ? ZN ZN G2004 >GLU~G 24 35.34 -19.32 28.91 34.28 -18.98 30.72 34.81 -19.15 29.81 2 0 19.71 -999 ? ZN ZN G2004 >LEU~G 25 34.69 -14.38 23.83 35.74 -15.64 22.37 35.22 -15.01 23.10 3 0 12.31 -999 ? ZN ZN G2004 >PRO.G 26 36.99 -10.66 26.64 34.94 -11.52 26.65 35.97 -11.09 26.64 3 0 11.13 -999 ? ZN ZN G2004 >GLN.G 27 33.29 -7.45 23.57 35.31 -7.97 23.08 34.30 -7.71 23.32 2 0 7.24 -999 ? ZN ZN G2004 >VAL^G 28 29.79 -12.45 24.77 30.27 -14.26 23.65 30.03 -13.36 24.21 3 0 14.29 -999 ? ZN ZN G2004 >ALA^G 29 26.82 -11.97 27.10 25.83 -10.84 26.98 26.32 -11.40 27.04 2 0 17.45 -999 ? ZN ZN G2004 >GLU^G 30 22.93 -14.21 27.25 20.84 -13.89 27.07 21.88 -14.05 27.16 2 0 22.02 -999 ? ZN ZN B2003 >VAL^G 31 25.63 -18.28 23.97 27.74 -19.12 23.92 26.68 -18.70 23.94 3 0 20.00 -999 ? ZN ZN G2004 >TYR^G 32 21.50 -19.82 24.15 20.71 -18.09 26.19 21.10 -18.95 25.17 3 0 21.21 -999 ? ZN ZN B2003 >SER^G 33 23.02 -24.31 21.04 24.40 -26.04 22.01 23.71 -25.18 21.53 2 0 25.21 -999 ? ZN ZN B2003 >VAL^G 34 19.94 -23.61 18.90 20.45 -21.53 18.35 20.20 -22.57 18.63 3 0 21.23 -999 ? ZN ZN B2003 >THR.G 35 17.66 -25.36 16.39 15.63 -25.46 17.18 16.64 -25.41 16.79 2 0 18.08 -999 ? ZN ZN B2003 >GLY.G 36 17.97 -24.43 12.71 18.50 -24.97 12.93 18.24 -24.70 12.82 1 0 21.99 -999 ? ZN ZN B2003 >PRO.G 37 19.51 -22.37 9.13 20.01 -24.21 10.36 19.76 -23.29 9.75 3 0 24.97 -999 ? ZN ZN B2003 >TYR.G 38 23.80 -20.63 11.40 24.84 -19.26 9.19 24.32 -19.94 10.30 3 0 23.24 -999 ? ZN ZN G2004 >ASP.G 39 25.21 -25.73 15.58 24.96 -27.01 13.97 25.08 -26.37 14.78 2 0 27.24 -999 ? ZN ZN G2004 >LEU^G 40 26.84 -21.97 18.42 27.99 -23.49 19.52 27.42 -22.73 18.97 3 0 21.95 -999 ? ZN ZN G2004 >VAL^G 41 24.30 -18.31 18.59 22.31 -17.55 17.96 23.30 -17.93 18.27 3 0 21.16 -999 ? ZN ZN G2004 >ALA^G 42 26.32 -15.83 20.54 27.87 -15.68 20.40 27.09 -15.76 20.47 2 0 16.36 -999 ? ZN ZN G2004 >LEU^G 43 23.43 -12.73 22.70 22.02 -11.08 22.97 22.72 -11.90 22.84 3 0 19.00 -999 ? ZN ZN G2004 >VAL^G 44 27.32 -10.05 21.93 29.15 -10.52 20.72 28.23 -10.28 21.33 3 0 13.13 -999 ? ZN ZN G2004 >ARG^G 45 24.66 -6.90 24.79 21.69 -7.61 25.11 23.17 -7.26 24.95 2 0 19.42 -999 ? ZN ZN G2004 >LEU^G 46 30.07 -4.18 20.40 30.26 -5.96 19.13 30.16 -5.07 19.76 3 0 9.61 -999 ? ZN ZN G2004 >LYS.G 47 31.18 -0.58 22.88 32.81 3.34 24.43 31.99 1.38 23.66 2 0 12.02 -999 ? ZN ZN G2004 >ASP~G 48 33.55 0.62 19.07 33.72 1.88 17.35 33.63 1.25 18.21 2 0 8.81 -999 ? ZN ZN G2004 >VAL~G 49 31.58 -2.02 16.06 30.42 -0.89 14.53 31.00 -1.45 15.30 3 0 9.72 -999 ? ZN ZN G2004 >GLU~G 50 37.44 -1.74 17.09 38.96 -3.21 16.73 38.20 -2.48 16.91 2 0 -2.28 -999 ? ZN ZN G2004s >GLU~G 51 34.98 -4.76 20.96 34.28 -3.47 22.45 34.63 -4.12 21.70 2 0 6.79 -999 ? ZN ZN G2004 >LEU~G 52 32.77 -7.18 14.89 30.58 -7.34 14.87 31.67 -7.26 14.88 3 0 9.18 -999 ? ZN ZN G2004 >ASP~G 53 38.40 -6.52 14.99 40.34 -7.05 14.26 39.37 -6.79 14.62 2 0 4.94 -999 ? ZN ZN G2004 >ASP~G 54 38.23 -8.03 19.86 39.37 -6.28 19.45 38.80 -7.15 19.66 2 0 -2.04 -999 ? ZN ZN G2004s >VAL~G 55 35.10 -11.09 19.24 32.90 -10.74 19.58 34.00 -10.91 19.41 3 0 8.60 -999 ? ZN ZN G2004 >VAL~G 56 34.48 -12.50 15.71 32.62 -12.34 14.46 33.55 -12.42 15.08 3 0 10.55 -999 ? ZN ZN G2004 >THR.G 57 37.65 -12.33 13.58 38.26 -10.87 12.12 37.95 -11.60 12.85 2 0 9.08 -999 ? ZN ZN G2004 >GLN.G 58 41.36 -11.03 16.33 42.39 -9.43 17.26 41.88 -10.23 16.80 2 0 5.74 -999 ? ZN ZN G2004 >GLY.G 59 37.75 -14.51 19.27 37.80 -14.73 18.49 37.77 -14.62 18.88 1 0 10.21 -999 ? ZN ZN G2004 >ILE.G 60 34.14 -16.40 16.87 32.68 -16.54 17.03 33.41 -16.47 16.95 3 0 13.57 -999 ? ZN ZN G2004 >LEU.G 61 37.03 -16.44 12.55 35.34 -16.12 11.21 36.18 -16.28 11.88 3 0 13.91 -999 ? ZN ZN G2004 >SER.G 62 40.40 -18.47 15.18 40.81 -17.30 17.24 40.61 -17.88 16.21 2 0 12.88 -999 ? ZN ZN G2004 >LEU.G 63 37.55 -21.34 17.82 37.28 -20.70 19.90 37.41 -21.02 18.86 3 0 16.66 -999 ? ZN ZN G2004 >GLU.G 64 39.99 -27.18 15.98 39.71 -28.44 14.30 39.85 -27.81 15.14 2 0 24.28 -999 ? ZN ZN G2004 >GLY.G 65 36.11 -26.47 13.94 36.18 -25.70 13.80 36.15 -26.09 13.87 1 0 22.69 -999 ? ZN ZN G2004 >VAL^G 66 34.15 -23.28 13.10 34.84 -21.64 14.41 34.50 -22.46 13.75 3 0 19.25 -999 ? ZN ZN G2004 >GLU^G 67 32.75 -26.36 9.71 31.95 -28.10 8.81 32.35 -27.23 9.26 2 0 26.62 -999 ? ZN ZN G2004 >ARG^G 68 30.64 -21.00 5.54 28.49 -18.97 4.58 29.57 -19.98 5.06 2 0 22.94 -999 ? ZN ZN G2004 >THR^G 69 29.93 -17.60 10.74 31.15 -16.29 12.05 30.54 -16.94 11.40 2 0 15.88 -999 ? ZN ZN G2004 >GLU^G 70 24.92 -14.52 9.07 24.76 -14.12 6.99 24.84 -14.32 8.03 2 0 21.12 -999 ? ZN ZN G2004 >THR^G 71 26.87 -11.68 12.08 28.45 -10.63 13.19 27.66 -11.15 12.64 2 0 13.81 -999 ? ZN ZN G2004 >LEU^G 72 22.24 -10.70 12.78 21.39 -12.46 11.73 21.82 -11.58 12.26 3 0 20.18 -999 ? ZN ZN G2004 >LEU^G 73 25.57 -5.63 12.95 26.76 -4.12 14.01 26.16 -4.88 13.48 3 0 14.40 -999 ? ZN ZN G2004 >ALA^G 74 21.64 -4.56 15.34 21.18 -4.94 16.73 21.41 -4.75 16.03 2 0 18.58 -999 ? ZN ZN G2004 >PHE^G 75 20.76 -0.83 11.86 18.80 -1.37 9.95 19.78 -1.10 10.91 3 0 21.55 -999 ? ZN ZN G2004 >ARG^G 76 15.16 1.90 14.98 12.60 3.57 14.85 13.88 2.73 14.91 2 0 28.48 -999 ? ZN ZN G2004 >ALA^G 77 16.64 -1.08 19.32 17.31 -0.83 20.66 16.98 -0.96 19.99 2 0 22.77 -999 ? ZN ZN G2004 >TYR.G 78 12.17 -1.26 17.53 12.70 -0.59 14.88 12.43 -0.93 16.20 3 0 24.68 -999 ? ZN ZN B2003 >PRO.G 79 13.32 1.53 23.42 12.70 -0.60 23.01 13.01 0.47 23.22 3 0 24.70 -999 ? ZN ZN B2003 >ARG.G 80 6.63 1.91 25.77 5.01 2.67 23.24 5.82 2.29 24.51 2 0 23.71 -999 ? ZN ZN B2003 >MET.H 1 6.54 -34.49 26.39 7.75 -37.44 27.14 7.14 -35.97 26.76 2 0 18.85 -999 ? ZN ZN B2003 >ILE^H 2 9.07 -31.39 23.78 9.47 -30.29 24.18 9.27 -30.84 23.98 3 0 13.97 -999 ? ZN ZN B2003 >THR^H 3 8.15 -33.89 19.96 6.73 -35.07 18.81 7.44 -34.48 19.39 2 0 17.15 -999 ? ZN ZN B2003 >ALA^H 4 10.91 -33.06 17.47 12.20 -32.60 18.13 11.56 -32.83 17.80 2 0 18.45 -999 ? ZN ZN B2003 >PHE^H 5 9.42 -34.06 13.06 6.66 -34.10 13.61 8.04 -34.08 13.33 3 0 19.49 -999 ? ZN ZN B2003 >VAL^H 6 15.57 -34.48 13.48 17.11 -34.67 15.05 16.34 -34.57 14.27 3 0 24.01 -999 ? ZN ZN B2003 >LEU^H 7 16.25 -32.95 9.01 14.12 -32.36 8.61 15.19 -32.66 8.81 3 0 25.16 -999 ? ZN ZN B2003 >ILE^H 8 20.23 -37.31 10.21 20.06 -37.82 11.04 20.14 -37.57 10.63 3 0 29.97 -999 ? ZN ZN B2003 >ARG^H 9 23.61 -33.80 3.29 21.83 -31.31 3.74 22.72 -32.55 3.52 2 0 32.17 -999 ? ZN ZN B2003 >PRO^H 10 22.87 -40.25 5.97 24.16 -38.49 6.51 23.52 -39.37 6.24 3 0 35.40 -999 ? ZN ZN B2003 >ARG.H 11 31.27 -41.17 3.82 32.37 -41.49 6.67 31.82 -41.33 5.24 2 0 35.53 -999 ? ZN ZN J2001 >GLY.H 12 26.09 -42.02 1.53 26.51 -42.29 2.12 26.30 -42.16 1.83 1 0 30.71 -999 ? ZN ZN J2001 >ASN.H 13 28.96 -45.87 2.39 30.48 -44.50 3.04 29.72 -45.18 2.72 2 0 32.33 -999 ? ZN ZN J2001 >ARG~H 14 29.55 -44.56 8.18 29.86 -45.04 11.21 29.70 -44.80 9.70 2 0 40.46 -999 ? ZN ZN J2001 >VAL~H 15 23.05 -44.36 5.89 21.78 -43.52 4.28 22.41 -43.94 5.08 3 0 35.12 -999 ? ZN ZN J2001 >GLN~H 16 21.32 -50.34 6.36 21.72 -52.20 5.40 21.52 -51.27 5.88 2 0 37.84 -999 ? ZN ZN J2001 >ALA~H 17 24.74 -48.00 9.68 26.24 -47.74 9.52 25.49 -47.87 9.60 2 0 39.57 -999 ? ZN ZN J2001 >LEU~H 18 24.00 -43.28 10.54 25.82 -42.11 10.65 24.91 -42.69 10.60 3 0 36.27 -999 ? ZN ZN B2003 >GLY~H 19 20.02 -45.41 10.65 20.57 -45.78 11.10 20.30 -45.59 10.88 1 0 34.96 -999 ? ZN ZN B2003 >GLU~H 20 20.26 -50.51 11.36 21.36 -52.05 10.39 20.81 -51.28 10.88 2 0 40.75 -999 ? ZN ZN B2003 >ALA~H 21 22.57 -46.57 15.45 24.03 -46.18 15.20 23.30 -46.38 15.32 2 0 36.49 -999 ? ZN ZN B2003 >ILE~H 22 19.42 -42.89 14.36 19.82 -41.47 14.56 19.62 -42.18 14.46 3 0 31.04 -999 ? ZN ZN B2003 >ALA~H 23 17.16 -46.07 16.52 16.70 -47.27 15.72 16.93 -46.67 16.12 2 0 32.86 -999 ? ZN ZN B2003 >GLU~H 24 20.30 -49.47 18.65 18.48 -50.29 19.42 19.39 -49.88 19.03 2 0 35.52 -999 ? ZN ZN B2003 >LEU.H 25 19.27 -42.50 20.35 21.07 -41.73 19.35 20.17 -42.12 19.85 3 0 30.02 -999 ? ZN ZN B2003 >PRO.H 26 18.97 -42.96 25.30 17.41 -43.46 23.75 18.19 -43.21 24.53 3 0 29.16 -999 ? ZN ZN B2003 >GLN.H 27 15.79 -39.01 24.25 17.87 -39.49 24.43 16.83 -39.25 24.34 2 0 26.14 -999 ? ZN ZN B2003 >VAL^H 28 14.07 -42.10 19.23 15.51 -42.13 17.57 14.79 -42.11 18.40 3 0 27.00 -999 ? ZN ZN B2003 >ALA^H 29 10.46 -43.22 18.80 9.26 -42.29 18.89 9.86 -42.76 18.84 2 0 24.44 -999 ? ZN ZN B2003 >GLU^H 30 8.76 -43.18 14.57 6.72 -43.67 14.36 7.74 -43.42 14.46 2 0 26.29 -999 ? ZN ZN B2003 >VAL^H 31 13.88 -43.40 12.62 16.08 -43.65 12.65 14.98 -43.52 12.64 3 0 30.05 -999 ? ZN ZN B2003 >TYR^H 32 10.73 -43.63 9.08 8.41 -44.48 10.38 9.57 -44.06 9.73 3 0 29.55 -999 ? ZN ZN B2003 >SER^H 33 15.17 -43.47 5.63 17.27 -44.35 4.77 16.22 -43.91 5.20 2 0 35.60 -999 ? ZN ZN B2003 >VAL^H 34 13.34 -40.93 3.44 12.78 -39.51 5.07 13.06 -40.22 4.26 3 0 31.30 -999 ? ZN ZN B2003 >THR.H 35 13.28 -39.16 0.08 11.42 -39.66 -0.90 12.35 -39.41 -0.41 2 0 33.55 -999 ? ZN ZN J2001 >GLY.H 36 14.40 -35.53 -0.18 15.01 -36.05 -0.15 14.71 -35.79 -0.16 1 0 32.47 -999 ? ZN ZN B2003 >PRO.H 37 15.67 -31.85 1.60 16.71 -33.61 0.70 16.19 -32.73 1.15 3 0 31.11 -999 ? ZN ZN B2003 >TYR.H 38 17.79 -33.38 5.74 18.94 -30.96 6.49 18.36 -32.17 6.11 3 0 28.65 -999 ? ZN ZN B2003 >ASP.H 39 19.73 -39.62 3.70 20.63 -38.69 2.04 20.18 -39.15 2.87 2 0 32.15 -999 ? ZN ZN J2001 >LEU^H 40 18.35 -40.57 8.50 19.27 -42.54 8.43 18.81 -41.56 8.46 3 0 32.62 -999 ? ZN ZN B2003 >VAL^H 41 14.49 -38.65 9.82 12.74 -37.53 9.11 13.61 -38.09 9.47 3 0 27.00 -999 ? ZN ZN B2003 >ALA^H 42 14.44 -39.21 13.61 15.71 -39.11 14.47 15.07 -39.16 14.04 2 0 26.47 -999 ? ZN ZN B2003 >LEU^H 43 9.73 -39.43 14.95 7.67 -38.73 15.37 8.70 -39.08 15.16 3 0 22.67 -999 ? ZN ZN B2003 >VAL^H 44 12.22 -37.94 18.87 14.14 -37.00 19.45 13.18 -37.47 19.16 3 0 22.25 -999 ? ZN ZN B2003 >ARG^H 45 7.47 -38.69 20.81 5.22 -38.73 18.67 6.34 -38.71 19.74 2 0 19.95 -999 ? ZN ZN B2003 >LEU^H 46 12.14 -34.12 24.27 13.74 -33.70 22.88 12.94 -33.91 23.57 3 0 18.73 -999 ? ZN ZN B2003 >LYS.H 47 10.99 -34.83 28.58 12.07 -33.13 33.66 11.53 -33.98 31.12 2 0 19.70 -999 ? ZN ZN B2003 >ASP.H 48 12.54 -30.52 29.41 14.40 -31.25 30.10 13.47 -30.88 29.76 2 0 18.83 -999 ? ZN ZN B2003 >VAL.H 49 13.86 -29.01 25.57 13.20 -27.16 24.57 13.53 -28.08 25.07 3 0 15.58 -999 ? ZN ZN B2003 >GLU.H 50 17.55 -27.49 28.97 15.58 -26.87 29.52 16.57 -27.18 29.25 2 0 17.57 -999 ? ZN ZN B2003 >GLU~H 51 16.31 -35.44 26.90 14.59 -36.70 27.16 15.45 -36.07 27.03 2 0 22.00 -999 ? ZN ZN B2003 >LEU~H 52 17.37 -30.95 21.90 16.12 -30.99 20.10 16.74 -30.97 21.00 3 0 20.15 -999 ? ZN ZN B2003 >ASP~H 53 22.01 -31.06 24.97 24.10 -31.35 25.29 23.05 -31.20 25.13 2 0 26.49 -999 ? ZN ZN B2003 >ASP~H 54 20.28 -36.09 25.85 20.67 -35.47 27.83 20.48 -35.78 26.84 2 0 25.78 -999 ? ZN ZN B2003 >VAL~H 55 19.72 -36.85 21.62 17.66 -36.82 20.81 18.69 -36.83 21.21 3 0 25.12 -999 ? ZN ZN B2003 >VAL~H 56 21.41 -34.47 19.11 20.49 -32.96 17.74 20.95 -33.72 18.43 3 0 25.61 -999 ? ZN ZN B2003 >THR.H 57 24.72 -32.91 20.28 25.08 -30.92 21.02 24.90 -31.92 20.65 2 0 27.46 -999 ? ZN ZN B2003 >GLN.H 58 26.92 -35.46 24.83 27.76 -33.50 24.56 27.34 -34.48 24.69 2 0 30.72 -999 ? ZN ZN B2003 >GLY~H 59 23.71 -38.32 20.60 24.20 -37.78 20.18 23.95 -38.05 20.39 1 0 30.00 -999 ? ZN ZN B2003 >ILE~H 60 22.26 -37.43 16.03 21.10 -37.36 15.32 21.68 -37.40 15.68 3 0 28.99 -999 ? ZN ZN B2003 >LEU~H 61 26.41 -34.32 16.46 25.29 -32.85 15.26 25.85 -33.59 15.86 3 0 30.34 -999 ? ZN ZN B2003 >SER~H 62 28.76 -38.18 18.22 27.96 -39.85 19.82 28.36 -39.02 19.02 2 0 34.41 -999 ? ZN ZN B2003 >LEU~H 63 26.96 -41.38 15.10 25.62 -42.73 16.16 26.29 -42.06 15.63 3 0 35.24 -999 ? ZN ZN B2003 >GLU.H 64 32.53 -42.71 11.25 33.49 -41.02 10.38 33.01 -41.86 10.81 2 0 37.89 -999 ? ZN ZN G2004 >GLY.H 65 29.91 -39.66 9.38 29.48 -39.47 9.99 29.69 -39.57 9.68 1 0 37.58 -999 ? ZN ZN G2004 >VAL^H 66 26.88 -37.49 10.17 26.03 -37.92 12.15 26.45 -37.71 11.16 3 0 34.39 -999 ? ZN ZN B2003 >GLU^H 67 28.08 -35.86 5.95 28.23 -36.02 3.84 28.16 -35.94 4.89 2 0 32.59 -999 ? ZN ZN J2001 >ARG^H 68 24.82 -29.19 7.91 24.68 -26.94 5.81 24.75 -28.06 6.86 2 0 29.79 -999 ? ZN ZN G2004 >THR^H 69 21.51 -32.17 11.34 21.52 -32.68 13.48 21.52 -32.42 12.41 2 0 27.20 -999 ? ZN ZN B2003 >GLU^H 70 17.08 -28.12 10.05 16.94 -27.02 8.23 17.01 -27.57 9.14 2 0 24.54 -999 ? ZN ZN B2003 >THR^H 71 15.82 -30.13 14.22 16.16 -30.88 16.24 15.99 -30.50 15.23 2 0 21.04 -999 ? ZN ZN B2003 >LEU^H 72 11.42 -29.71 12.49 11.99 -29.31 10.40 11.70 -29.51 11.44 3 0 19.88 -999 ? ZN ZN B2003 >LEU^H 73 11.63 -28.31 18.41 11.17 -28.09 20.55 11.40 -28.20 19.48 3 0 14.77 -999 ? ZN ZN B2003 >ALA^H 74 7.07 -29.25 17.84 6.29 -30.56 17.70 6.68 -29.90 17.77 2 0 13.82 -999 ? ZN ZN B2003 >PHE^H 75 6.01 -24.34 18.97 5.28 -22.77 16.79 5.65 -23.55 17.88 3 0 9.39 -999 ? ZN ZN B2003 >ARG^H 76 -1.06 -24.66 18.73 -3.81 -23.46 18.10 -2.43 -24.06 18.41 2 0 8.16 -999 ? ZN ZN B2003 >ALA^H 77 -0.08 -30.01 18.67 -0.22 -31.20 19.56 -0.15 -30.60 19.11 2 0 11.91 -999 ? ZN ZN B2003 >TYR.H 78 -2.69 -28.08 15.14 -1.32 -25.64 14.90 -2.01 -26.86 15.02 3 0 11.76 -999 ? ZN ZN B2003 >PRO.H 79 -6.38 -31.14 19.45 -5.25 -32.22 17.83 -5.81 -31.68 18.64 3 0 13.99 -999 ? ZN ZN B2003 >MET.I 1 4.30 -50.67 -10.30 6.82 -52.41 -11.84 5.56 -51.54 -11.07 2 0 32.21 -999 ? ZN ZN J2001 >ILE^I 2 6.09 -47.52 -7.10 5.71 -47.23 -5.78 5.90 -47.37 -6.44 3 0 34.24 -999 ? ZN ZN J2001 >THR^I 3 7.95 -45.10 -10.68 7.53 -44.40 -12.69 7.74 -44.75 -11.68 2 0 28.47 -999 ? ZN ZN J2001 >ALA^I 4 10.71 -42.92 -9.19 11.36 -43.44 -7.92 11.03 -43.18 -8.56 2 0 28.54 -999 ? ZN ZN J2001 >PHE^I 5 11.35 -39.19 -12.34 9.30 -39.51 -14.23 10.33 -39.35 -13.28 3 0 25.17 -999 ? ZN ZN J2001 >VAL^I 6 16.43 -40.46 -9.13 17.11 -42.13 -7.90 16.77 -41.29 -8.51 3 0 24.43 -999 ? ZN ZN J2001 >LEU^I 7 18.24 -36.04 -9.29 16.35 -35.24 -10.05 17.29 -35.64 -9.67 3 0 23.08 -999 ? ZN ZN J2001 >ILE^I 8 22.94 -39.54 -9.52 22.66 -40.49 -9.65 22.80 -40.02 -9.58 3 0 20.55 -999 ? ZN ZN J2001 >ARG^I 9 26.01 -32.03 -7.10 23.09 -31.05 -6.77 24.55 -31.54 -6.94 2 0 24.03 -999 ? ZN ZN J2001 >PRO^I 10 27.90 -37.79 -11.48 27.86 -37.20 -9.31 27.88 -37.49 -10.39 3 0 18.40 -999 ? ZN ZN J2001 >ARG.I 11 35.67 -37.65 -8.31 35.98 -40.29 -6.76 35.83 -38.97 -7.54 2 0 22.73 -999 ? ZN ZN J2001 >GLY.I 12 33.08 -34.86 -12.28 33.22 -35.59 -11.99 33.15 -35.22 -12.14 1 0 16.89 -999 ? ZN ZN J2001 >ASN.I 13 36.86 -37.66 -13.37 37.50 -38.40 -11.47 37.18 -38.03 -12.42 2 0 18.64 -999 ? ZN ZN J2001 >ARG~I 14 34.67 -42.08 -10.26 33.76 -45.02 -10.11 34.22 -43.55 -10.18 2 0 20.11 -999 ? ZN ZN J2001 >VAL~I 15 29.83 -39.37 -14.49 29.07 -37.47 -15.34 29.45 -38.42 -14.91 3 0 13.75 -999 ? ZN ZN J2001 >GLN~I 16 31.04 -41.10 -19.37 32.61 -40.90 -20.76 31.83 -41.00 -20.07 2 0 8.71 -999 ? ZN ZN J2001 >ALA~I 17 31.44 -44.74 -14.65 32.63 -44.57 -13.69 32.03 -44.65 -14.17 2 0 16.49 -999 ? ZN ZN J2001 >LEU~I 18 28.19 -43.10 -11.41 29.15 -42.94 -9.46 28.67 -43.02 -10.43 3 0 18.94 -999 ? ZN ZN J2001 >GLY~I 19 25.86 -43.85 -15.31 26.37 -44.47 -15.05 26.12 -44.16 -15.18 1 0 15.19 -999 ? ZN ZN J2001 >GLU~I 20 28.55 -46.90 -18.54 30.50 -46.99 -19.33 29.52 -46.94 -18.93 2 0 -12.94 -999 ? ZN ZN J2001s >ALA~I 21 27.04 -48.69 -12.95 27.82 -48.15 -11.75 27.43 -48.42 -12.35 2 0 19.84 -999 ? ZN ZN J2001 >ILE~I 22 22.95 -45.97 -12.27 22.74 -45.87 -10.97 22.85 -45.92 -11.62 3 0 20.17 -999 ? ZN ZN J2001 >ALA~I 23 22.18 -48.95 -15.71 22.79 -48.66 -17.06 22.49 -48.80 -16.39 2 0 17.40 -999 ? ZN ZN J2001 >GLU~I 24 25.57 -52.88 -14.93 24.90 -53.17 -16.94 25.23 -53.03 -15.93 2 0 19.88 -999 ? ZN ZN J2001 >LEU~I 25 20.61 -51.06 -10.42 22.05 -50.30 -8.95 21.33 -50.68 -9.68 3 0 24.47 -999 ? ZN ZN J2001 >PRO.I 26 18.57 -55.77 -10.34 18.14 -54.04 -11.73 18.35 -54.91 -11.03 3 0 27.14 -999 ? ZN ZN J2001 >GLN.I 27 14.64 -52.38 -8.68 16.50 -52.94 -7.79 15.57 -52.66 -8.24 2 0 29.09 -999 ? ZN ZN J2001 >VAL^I 28 16.51 -48.99 -13.37 18.29 -47.72 -13.20 17.40 -48.35 -13.29 3 0 22.52 -999 ? ZN ZN J2001 >ALA^I 29 14.54 -48.81 -16.65 13.05 -48.50 -16.69 13.79 -48.65 -16.67 2 0 23.41 -999 ? ZN ZN J2001 >GLU^I 30 14.49 -45.59 -19.94 12.92 -44.37 -20.65 13.70 -44.98 -20.29 2 0 20.10 -999 ? ZN ZN J2001 >VAL^I 31 19.25 -43.63 -17.09 21.00 -44.45 -16.01 20.13 -44.04 -16.55 3 0 16.86 -999 ? ZN ZN J2001 >TYR^I 32 18.53 -40.66 -20.20 16.59 -42.17 -21.51 17.56 -41.41 -20.86 3 0 15.25 -999 ? ZN ZN J2001 >SER^I 33 23.35 -37.96 -18.73 25.76 -37.61 -18.66 24.55 -37.78 -18.70 2 0 10.94 -999 ? ZN ZN J2001 >VAL^I 34 21.32 -34.71 -18.53 19.81 -35.47 -17.09 20.57 -35.09 -17.81 3 0 14.80 -999 ? ZN ZN J2001 >THR.I 35 21.68 -30.90 -18.55 20.68 -30.08 -20.32 21.18 -30.49 -19.43 2 0 14.94 -999 ? ZN ZN J2001 >GLY.I 36 21.13 -29.09 -15.26 21.86 -29.39 -15.29 21.49 -29.24 -15.28 1 0 18.47 -999 ? ZN ZN J2001 >PRO.I 37 19.88 -28.82 -11.21 21.81 -29.45 -12.23 20.84 -29.13 -11.72 3 0 21.28 -999 ? ZN ZN J2001 >TYR.I 38 20.76 -33.59 -9.48 20.18 -32.83 -6.85 20.47 -33.21 -8.16 3 0 23.18 -999 ? ZN ZN J2001 >ASP.I 39 26.01 -35.27 -13.87 27.04 -33.54 -13.28 26.53 -34.40 -13.57 2 0 16.30 -999 ? ZN ZN J2001 >LEU^I 40 23.38 -39.51 -13.55 25.16 -40.47 -14.38 24.27 -39.99 -13.97 3 0 15.95 -999 ? ZN ZN J2001 >VAL^I 41 18.91 -39.12 -13.88 17.36 -37.59 -14.27 18.14 -38.35 -14.07 3 0 18.93 -999 ? ZN ZN J2001 >ALA^I 42 17.70 -42.69 -13.42 18.31 -43.66 -12.42 18.00 -43.18 -12.92 2 0 20.90 -999 ? ZN ZN J2001 >LEU^I 43 13.46 -43.60 -15.66 11.33 -43.29 -16.16 12.40 -43.45 -15.91 3 0 22.57 -999 ? ZN ZN J2001 >VAL^I 44 13.42 -46.40 -11.74 14.75 -46.57 -9.99 14.09 -46.48 -10.86 3 0 25.46 -999 ? ZN ZN J2001 >ARG^I 45 9.19 -47.86 -14.39 8.02 -46.02 -16.58 8.60 -46.94 -15.49 2 0 26.51 -999 ? ZN ZN J2001 >LEU^I 46 9.74 -49.43 -7.17 11.25 -48.04 -6.49 10.50 -48.74 -6.83 3 0 31.31 -999 ? ZN ZN J2001 >LYS.I 47 7.62 -53.38 -6.85 6.38 -57.85 -3.68 7.00 -55.62 -5.26 2 0 39.82 -999 ? ZN ZN J2001 >ASP~I 48 6.36 -52.06 -2.59 7.56 -53.72 -1.99 6.96 -52.89 -2.29 2 0 38.35 -999 ? ZN ZN J2001 >VAL~I 49 8.55 -48.14 -2.15 6.99 -46.80 -1.35 7.77 -47.47 -1.75 3 0 36.29 -999 ? ZN ZN J2001 >GLU~I 50 9.27 -51.61 2.10 7.43 -50.53 2.04 8.35 -51.07 2.07 2 0 38.38 -999 ? ZN ZN B2003 >GLU~I 51 12.78 -53.14 -4.97 11.98 -53.78 -6.83 12.38 -53.46 -5.90 2 0 32.52 -999 ? ZN ZN J2001 >LEU~I 52 13.08 -46.75 -3.17 13.44 -44.75 -3.90 13.26 -45.75 -3.54 3 0 31.27 -999 ? ZN ZN J2001 >ASP~I 53 15.88 -49.61 0.98 17.43 -49.51 2.42 16.65 -49.56 1.70 2 0 35.51 -999 ? ZN ZN J2001 >ASP~I 54 17.18 -52.79 -3.01 18.10 -54.51 -2.17 17.64 -53.65 -2.59 2 0 33.46 -999 ? ZN ZN J2001 >VAL~I 55 18.26 -49.19 -5.58 16.78 -48.15 -6.89 17.52 -48.67 -6.24 3 0 27.87 -999 ? ZN ZN J2001 >VAL~I 56 19.22 -45.95 -3.76 18.10 -44.04 -3.74 18.66 -44.99 -3.75 3 0 28.32 -999 ? ZN ZN J2001 >THR.I 57 20.96 -46.62 -0.40 20.14 -46.32 1.60 20.55 -46.47 0.60 2 0 32.94 -999 ? ZN ZN J2001 >GLN.I 58 21.89 -52.18 -0.03 21.35 -51.24 1.81 21.62 -51.71 0.89 2 0 34.36 -999 ? ZN ZN J2001 >GLY.I 59 22.54 -49.72 -5.18 22.76 -49.15 -4.67 22.65 -49.43 -4.92 1 0 27.32 -999 ? ZN ZN J2001 >ILE.I 60 22.46 -45.00 -6.36 21.82 -44.15 -7.28 22.14 -44.57 -6.82 3 0 24.17 -999 ? ZN ZN J2001 >LEU.I 61 24.06 -44.09 -1.55 23.03 -42.16 -1.34 23.54 -43.13 -1.44 3 0 28.46 -999 ? ZN ZN J2001 >SER.I 62 27.44 -47.38 -1.97 26.70 -49.31 -3.26 27.07 -48.34 -2.61 2 0 28.00 -999 ? ZN ZN J2001 >LEU.I 63 28.76 -46.36 -6.49 27.77 -47.98 -7.62 28.27 -47.17 -7.06 3 0 23.52 -999 ? ZN ZN J2001 >GLU.I 64 34.90 -43.61 -5.62 35.57 -42.49 -3.95 35.24 -43.05 -4.78 2 0 25.65 -999 ? ZN ZN J2001 >GLY.I 65 32.06 -40.56 -6.20 31.46 -40.88 -5.85 31.76 -40.72 -6.02 1 0 22.65 -999 ? ZN ZN J2001 >VAL^I 66 28.30 -40.13 -5.63 26.50 -41.37 -5.87 27.40 -40.75 -5.75 3 0 23.22 -999 ? ZN ZN J2001 >GLU^I 67 30.11 -35.47 -4.88 30.75 -33.82 -6.03 30.43 -34.64 -5.46 2 0 22.99 -999 ? ZN ZN J2001 >ARG^I 68 23.15 -33.63 -1.82 24.18 -35.52 0.40 23.67 -34.58 -0.71 2 0 29.76 -999 ? ZN ZN J2001 >THR^I 69 21.24 -38.06 -4.56 20.38 -39.74 -3.52 20.81 -38.90 -4.04 2 0 27.03 -999 ? ZN ZN J2001 >GLU^I 70 16.40 -34.53 -4.29 16.28 -32.45 -4.67 16.34 -33.49 -4.48 2 0 28.28 -999 ? ZN ZN J2001 >THR^I 71 14.74 -39.08 -5.30 14.88 -41.19 -4.86 14.81 -40.14 -5.08 2 0 28.48 -999 ? ZN ZN J2001 >LEU^I 72 11.53 -36.83 -8.03 12.58 -34.89 -8.05 12.06 -35.86 -8.04 3 0 27.55 -999 ? ZN ZN J2001 >LEU^I 73 9.01 -41.38 -4.79 8.26 -43.38 -4.32 8.63 -42.38 -4.55 3 0 32.64 -999 ? ZN ZN J2001 >ALA^I 74 5.80 -40.70 -8.02 5.78 -41.01 -9.50 5.79 -40.85 -8.76 2 0 31.19 -999 ? ZN ZN J2001 >PHE^I 75 2.19 -39.31 -4.75 1.83 -36.53 -4.75 2.01 -37.92 -4.75 3 0 34.28 -999 ? ZN ZN B2003 >ARG^I 76 -2.74 -38.69 -10.00 -5.78 -38.27 -9.84 -4.26 -38.48 -9.92 2 0 39.27 -999 ? ZN ZN B2003 >ALA^I 77 0.10 -41.33 -12.51 0.27 -42.78 -12.94 0.19 -42.05 -12.72 2 0 34.16 -999 ? ZN ZN J2001 >TYR.I 78 -1.58 -37.23 -14.36 -2.10 -35.76 -12.05 -1.84 -36.50 -13.20 3 0 35.62 -999 ? ZN ZN J2001 >PRO.I 79 -3.24 -43.30 -16.14 -2.23 -41.81 -17.50 -2.73 -42.55 -16.82 3 0 35.31 -999 ? ZN ZN J2001 >ARG.I 80 -5.55 -40.08 -24.00 -7.09 -38.67 -26.29 -6.32 -39.37 -25.15 2 0 37.40 -999 ? ZN ZN J2001 >MET.J 1 23.08 -25.91 -35.30 27.06 -26.50 -36.22 25.07 -26.21 -35.76 2 0 14.14 -999 ? ZN ZN J2001 >ILE.J 2 22.40 -27.69 -30.84 21.67 -28.68 -30.44 22.04 -28.19 -30.64 3 0 12.95 -999 ? ZN ZN J2001 >THR^J 3 24.10 -23.71 -29.06 24.40 -21.57 -29.43 24.25 -22.64 -29.25 2 0 17.46 -999 ? ZN ZN J2001 >ALA^J 4 24.92 -24.16 -25.33 25.32 -25.58 -24.95 25.12 -24.87 -25.14 2 0 13.86 -999 ? ZN ZN J2001 >PHE^J 5 25.01 -19.87 -23.25 23.75 -18.47 -25.35 24.38 -19.17 -24.30 3 0 20.19 -999 ? ZN ZN J2001 >VAL^J 6 28.49 -23.96 -20.15 29.49 -25.91 -20.54 28.99 -24.94 -20.35 3 0 15.52 -999 ? ZN ZN J2001 >LEU^J 7 27.69 -21.87 -15.95 26.02 -20.60 -16.66 26.86 -21.24 -16.31 3 0 21.08 -999 ? ZN ZN J2001 >ILE^J 8 33.30 -23.70 -16.10 33.88 -24.15 -17.12 33.59 -23.92 -16.61 3 0 18.82 -999 ? ZN ZN J2001 >ARG^J 9 31.54 -22.75 -7.85 28.47 -22.56 -8.20 30.01 -22.65 -8.03 2 0 25.67 -999 ? ZN ZN J2001 >PRO^J 10 37.23 -21.75 -12.22 36.24 -23.57 -11.31 36.73 -22.66 -11.77 3 0 23.71 -999 ? ZN ZN J2001 >ARG.J 11 42.15 -25.47 -6.25 43.21 -27.78 -7.96 42.68 -26.62 -7.10 2 0 26.46 -999 ? ZN ZN J2001 >GLY.J 12 40.43 -20.16 -7.78 40.79 -20.81 -8.06 40.61 -20.48 -7.92 1 0 29.28 -999 ? ZN ZN J2001 >ASN.J 13 45.13 -21.25 -7.78 45.09 -23.23 -6.98 45.11 -22.24 -7.38 2 0 30.13 -999 ? ZN ZN J2001 >ARG~J 14 43.92 -26.01 -11.47 44.79 -27.17 -14.19 44.35 -26.59 -12.83 2 0 23.19 -999 ? ZN ZN J2001 >VAL~J 15 40.92 -20.15 -13.66 39.57 -18.48 -13.06 40.24 -19.31 -13.36 3 0 26.13 -999 ? ZN ZN J2001 >GLN~J 16 45.73 -18.03 -17.12 47.36 -16.75 -16.59 46.55 -17.39 -16.86 2 0 29.83 -999 ? ZN ZN J2001 >ALA~J 17 44.69 -22.69 -17.09 45.47 -23.62 -16.14 45.08 -23.16 -16.61 2 0 24.39 -999 ? ZN ZN J2001 >LEU~J 18 40.22 -24.23 -16.13 40.12 -26.00 -14.88 40.17 -25.12 -15.50 3 0 20.91 -999 ? ZN ZN J2001 >GLY~J 19 40.18 -21.19 -19.60 40.83 -21.72 -19.70 40.51 -21.45 -19.65 1 0 21.52 -999 ? ZN ZN J2001 >GLU~J 20 45.09 -20.14 -21.38 46.92 -19.89 -20.33 46.01 -20.02 -20.85 2 0 25.99 -999 ? ZN ZN J2001 >ALA~J 21 42.52 -25.55 -21.89 42.55 -26.50 -20.67 42.53 -26.02 -21.28 2 0 18.64 -999 ? ZN ZN J2001 >ILE~J 22 37.71 -24.65 -21.64 36.66 -24.79 -20.71 37.18 -24.72 -21.17 3 0 16.74 -999 ? ZN ZN J2001 >ALA~J 23 39.46 -22.73 -25.55 40.41 -21.57 -25.51 39.94 -22.15 -25.53 2 0 19.58 -999 ? ZN ZN J2001 >GLU.J 24 43.53 -25.45 -26.61 43.80 -24.04 -28.14 43.67 -24.74 -27.38 2 0 19.48 -999 ? ZN ZN J2001 >LEU.J 25 37.16 -28.16 -26.11 37.64 -29.17 -24.24 37.40 -28.66 -25.17 3 0 12.27 -999 ? ZN ZN J2001 >PRO.J 26 37.60 -30.44 -30.83 36.99 -28.35 -30.25 37.30 -29.40 -30.54 3 0 11.30 -999 ? ZN ZN J2001 >GLN.J 27 32.11 -29.81 -30.36 33.38 -31.34 -29.56 32.75 -30.58 -29.96 2 0 7.43 -999 ? ZN ZN J2001 >VAL^J 28 33.99 -24.35 -28.04 34.75 -24.31 -25.95 34.37 -24.33 -26.99 3 0 14.38 -999 ? ZN ZN J2001 >ALA^J 29 33.38 -21.09 -29.97 32.02 -20.66 -30.43 32.70 -20.87 -30.20 2 0 17.53 -999 ? ZN ZN J2001 >GLU^J 30 33.28 -16.74 -28.58 31.82 -15.19 -28.83 32.55 -15.97 -28.70 2 0 21.96 -999 ? ZN ZN E2002 >VAL^J 31 35.33 -18.82 -23.49 36.77 -20.42 -22.75 36.05 -19.62 -23.12 3 0 20.05 -999 ? ZN ZN J2001 >TYR^J 32 34.34 -14.57 -22.60 34.05 -13.83 -25.28 34.19 -14.20 -23.94 3 0 21.12 -999 ? ZN ZN E2002 >SER^J 33 36.27 -15.21 -17.30 38.62 -15.44 -16.82 37.44 -15.33 -17.06 2 0 25.08 -999 ? ZN ZN E2002 >VAL^J 34 32.97 -13.70 -16.07 31.55 -15.12 -17.07 32.26 -14.41 -16.57 3 0 21.24 -999 ? ZN ZN E2002 >THR.J 35 31.61 -11.82 -13.01 31.10 -9.77 -13.60 31.36 -10.80 -13.31 2 0 18.01 -999 ? ZN ZN E2002 >GLY.J 36 29.00 -13.68 -10.93 29.75 -13.88 -10.77 29.37 -13.78 -10.85 1 0 21.93 -999 ? ZN ZN E2002 >PRO.J 37 26.42 -17.06 -9.89 28.57 -16.44 -9.55 27.49 -16.75 -9.72 3 0 24.89 -999 ? ZN ZN E2002 >TYR.J 38 28.75 -20.75 -12.61 27.09 -22.87 -11.86 27.92 -21.81 -12.24 3 0 23.16 -999 ? ZN ZN J2001 >ASP.J 39 35.13 -18.57 -12.25 34.79 -18.46 -10.18 34.96 -18.51 -11.21 2 0 27.27 -999 ? ZN ZN J2001 >LEU^J 40 35.15 -20.15 -17.02 37.26 -20.22 -16.77 36.21 -20.19 -16.90 3 0 22.15 -999 ? ZN ZN J2001 >VAL^J 41 31.57 -19.50 -19.46 29.68 -18.37 -19.46 30.62 -18.94 -19.46 3 0 21.17 -999 ? ZN ZN J2001 >ALA^J 42 32.05 -21.47 -22.61 32.66 -22.92 -22.56 32.35 -22.20 -22.59 2 0 16.44 -999 ? ZN ZN J2001 >LEU^J 43 29.92 -19.38 -26.40 28.12 -18.76 -27.46 29.02 -19.07 -26.93 3 0 19.05 -999 ? ZN ZN J2001 >VAL^J 44 29.74 -24.05 -27.49 30.38 -25.77 -26.23 30.06 -24.91 -26.86 3 0 13.21 -999 ? ZN ZN J2001 >ARG^J 45 27.80 -22.06 -31.67 26.75 -19.22 -31.33 27.28 -20.64 -31.50 2 0 19.30 -999 ? ZN ZN J2001 >LEU.J 46 26.41 -29.17 -30.16 26.91 -29.22 -28.03 26.66 -29.20 -29.09 3 0 9.51 -999 ? ZN ZN J2001 >LYS.J 47 26.17 -30.49 -34.43 27.88 -35.84 -34.06 27.02 -33.17 -34.25 2 0 6.30 -999 ? ZN ZN J2001 >ASP~J 48 24.29 -34.17 -32.69 23.20 -35.63 -31.63 23.75 -34.90 -32.16 2 0 8.01 -999 ? ZN ZN J2001 >VAL~J 49 23.13 -32.82 -28.46 20.95 -32.72 -28.04 22.04 -32.77 -28.25 3 0 9.73 -999 ? ZN ZN J2001 >GLU~J 50 26.62 -37.54 -29.35 27.87 -38.52 -28.01 27.25 -38.03 -28.68 2 0 -2.50 -999 ? ZN ZN J2001s >GLU~J 51 28.89 -33.61 -30.77 29.81 -32.28 -32.11 29.35 -32.94 -31.44 2 0 6.72 -999 ? ZN ZN J2001 >LEU~J 52 26.56 -32.07 -23.99 25.38 -30.23 -24.12 25.97 -31.15 -24.05 3 0 9.28 -999 ? ZN ZN J2001 >ASP~J 53 28.87 -37.23 -24.52 29.85 -38.89 -23.63 29.36 -38.06 -24.07 2 0 5.09 -999 ? ZN ZN J2001 >ASP~J 54 32.59 -34.93 -27.29 32.02 -36.71 -28.24 32.31 -35.82 -27.77 2 0 -2.24 -999 ? ZN ZN J2001s >VAL~J 55 32.83 -31.31 -24.86 31.82 -29.40 -25.42 32.33 -30.35 -25.14 3 0 8.67 -999 ? ZN ZN J2001 >VAL~J 56 31.47 -31.34 -21.25 29.81 -30.05 -20.43 30.64 -30.69 -20.84 3 0 10.69 -999 ? ZN ZN J2001 >THR.J 57 31.56 -34.84 -19.70 30.19 -36.51 -19.53 30.87 -35.67 -19.62 2 0 9.22 -999 ? ZN ZN J2001 >GLN.J 58 34.19 -37.59 -22.64 34.36 -38.74 -24.46 34.27 -38.17 -23.55 2 0 5.91 -999 ? ZN ZN J2001 >GLY.J 59 36.39 -32.17 -22.43 36.06 -32.36 -21.69 36.23 -32.26 -22.06 1 0 10.51 -999 ? ZN ZN J2001 >ILE.J 60 34.43 -29.18 -19.40 33.91 -27.90 -19.62 34.17 -28.54 -19.51 3 0 13.72 -999 ? ZN ZN J2001 >LEU.J 61 33.40 -33.27 -16.23 31.65 -32.41 -15.35 32.52 -32.84 -15.79 3 0 14.03 -999 ? ZN ZN J2001 >SER.J 62 37.90 -34.48 -16.81 38.74 -34.62 -19.09 38.32 -34.55 -17.95 2 0 13.22 -999 ? ZN ZN J2001 >LEU.J 63 39.78 -30.03 -16.98 40.54 -29.37 -18.93 40.16 -29.70 -17.95 3 0 16.78 -999 ? ZN ZN J2001 >GLU.J 64 44.01 -30.69 -11.59 43.10 -30.84 -9.69 43.55 -30.77 -10.64 2 0 23.99 -999 ? ZN ZN J2001 >GLY.J 65 40.24 -28.46 -10.68 39.76 -28.75 -11.23 40.00 -28.60 -10.95 1 0 22.67 -999 ? ZN ZN J2001 >VAL^J 66 36.71 -28.09 -12.07 36.33 -28.89 -14.15 36.52 -28.49 -13.11 3 0 19.26 -999 ? ZN ZN J2001 >GLU^J 67 35.73 -26.90 -7.66 35.82 -25.49 -6.10 35.77 -26.19 -6.88 2 0 26.37 -999 ? ZN ZN J2001 >ARG^J 68 27.83 -27.99 -9.38 27.89 -30.88 -10.49 27.86 -29.43 -9.93 2 0 19.63 -999 ? ZN ZN J2001 >THR^J 69 29.38 -27.38 -14.35 29.15 -29.28 -15.43 29.27 -28.33 -14.89 2 0 15.86 -999 ? ZN ZN J2001 >GLU^J 70 23.81 -25.23 -14.59 22.89 -24.29 -12.95 23.35 -24.76 -13.77 2 0 22.09 -999 ? ZN ZN J2001 >THR^J 71 24.87 -26.33 -19.10 25.70 -27.64 -20.65 25.29 -26.99 -19.88 2 0 13.85 -999 ? ZN ZN J2001 >LEU^J 72 22.24 -22.50 -20.15 22.51 -21.56 -18.17 22.37 -22.03 -19.16 3 0 20.16 -999 ? ZN ZN J2001 >LEU^J 73 20.70 -27.16 -23.66 21.01 -28.57 -25.28 20.85 -27.87 -24.47 3 0 14.42 -999 ? ZN ZN J2001 >ALA^J 74 19.54 -23.33 -26.22 20.33 -22.37 -27.09 19.93 -22.85 -26.66 2 0 18.57 -999 ? ZN ZN J2001 >PHE^J 75 14.70 -25.12 -25.98 13.02 -23.90 -24.14 13.86 -24.51 -25.06 3 0 21.52 -999 ? ZN ZN J2001 >ARG^J 76 11.46 -20.49 -30.64 9.14 -18.90 -31.92 10.30 -19.69 -31.28 2 0 28.65 -999 ? ZN ZN J2001 >ALA^J 77 16.86 -19.07 -31.47 17.83 -19.27 -32.60 17.35 -19.17 -32.03 2 0 22.82 -999 ? ZN ZN J2001 >TYR.J 78 13.85 -15.66 -29.81 12.10 -17.30 -28.36 12.98 -16.48 -29.08 3 0 24.76 -999 ? ZN ZN E2002 >PRO.J 79 15.92 -15.52 -36.12 16.82 -14.41 -34.38 16.37 -14.97 -35.25 3 0 24.62 -999 ? ZN ZN E2002 >ARG.J 80 15.29 -10.38 -39.34 14.75 -7.48 -38.50 15.02 -8.93 -38.92 2 0 22.24 -999 ? ZN ZN E2002