#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2p58 n LEU 51 N 0.00 3.45 -0.25 2.23 4.77 -1.26 -4.78 117.00 121.17 2p58 n LEU 51 Ca 0.00 1.15 0.02 0.00 -0.03 0.00 0.00 56.01 57.16 2p58 n LEU 51 Cb 0.00 -1.46 0.15 0.00 -2.33 0.00 0.00 43.42 39.78 2p58 n LEU 51 CO 0.00 -0.73 1.05 0.00 -1.33 0.00 0.00 177.39 176.39 2p58 h ALA 52 N 2.23 1.01 0.00 -1.18 0.00 -2.05 -0.75 119.26 118.51 2p58 h ALA 52 Ca -0.46 0.07 -0.03 0.00 0.00 0.00 0.00 54.91 54.49 2p58 h ALA 52 Cb 1.30 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 19.07 2p58 h ALA 52 CO 0.61 -0.09 -0.14 -0.44 0.00 0.00 0.00 179.25 179.19 2p58 h ASP 53 N 0.56 0.00 0.17 0.00 5.19 -1.99 0.11 116.42 120.46 2p58 h ASP 53 Ca 0.37 0.00 -0.29 0.00 -0.62 0.00 0.00 57.03 56.48 2p58 h ASP 53 Cb 0.44 0.00 0.03 0.00 0.18 0.00 0.00 39.33 39.97 2p58 h ASP 53 CO -0.30 0.14 -1.23 0.25 -3.12 0.00 0.00 179.24 174.98 2p58 h LEU 54 N 0.00 0.84 -1.16 1.55 5.85 -1.52 -2.90 115.31 117.96 2p58 h LEU 54 Ca -0.00 -0.77 -0.05 0.00 0.84 0.00 0.00 57.88 57.90 2p58 h LEU 54 Cb 0.33 -0.26 -0.02 0.00 0.37 0.00 0.00 40.66 41.07 2p58 h LEU 54 CO 0.02 1.58 0.04 -0.61 -0.34 0.00 0.00 178.44 179.13 2p58 h GLN 55 N 0.27 0.63 -0.87 1.25 5.75 -0.62 -0.84 115.11 120.68 2p58 h GLN 55 Ca -0.18 -0.13 -0.01 0.00 -0.15 0.00 0.00 58.65 58.18 2p58 h GLN 55 Cb 1.90 -0.09 -0.04 0.00 1.07 0.00 0.00 27.48 30.32 2p58 h GLN 55 CO 0.23 0.62 0.50 0.45 -2.65 0.00 0.00 178.83 177.98 2p58 h HIS 56 N 0.60 1.16 -0.28 3.99 3.86 -0.79 0.26 115.15 123.95 2p58 h HIS 56 Ca 0.13 -0.01 -0.12 0.00 -1.16 0.00 0.00 60.37 59.21 2p58 h HIS 56 Cb 0.32 -0.38 -0.00 0.00 1.06 0.00 0.00 27.41 28.41 2p58 h HIS 56 CO 0.01 0.79 -0.28 1.03 0.86 0.00 0.00 177.93 180.34 2p58 h SER 57 N 1.21 0.73 -0.70 2.45 0.87 -1.15 -2.99 113.55 113.97 2p58 h SER 57 Ca 0.31 -0.47 0.00 0.00 -1.23 0.00 0.00 61.79 60.40 2p58 h SER 57 Cb -0.01 -0.21 -0.03 0.00 -0.44 0.00 0.00 62.40 61.71 2p58 h SER 57 CO -0.05 1.05 0.45 0.40 -0.53 0.00 0.00 176.83 178.15 2p58 h ILE 58 N 0.42 1.19 0.00 2.23 2.04 -0.71 -0.74 117.51 121.93 2p58 h ILE 58 Ca 0.04 -0.36 0.00 0.00 1.00 0.00 0.00 64.86 65.55 2p58 h ILE 58 Cb 0.85 0.16 0.00 0.00 -0.74 0.00 0.00 36.82 37.09 2p58 h ILE 58 CO 0.07 0.18 0.00 0.59 0.00 0.00 0.00 178.15 178.99 2p58 n ASN 59 N -4.42 0.00 -0.04 1.72 3.02 0.04 -1.82 115.26 113.76 2p58 n ASN 59 Ca 0.07 0.41 0.08 0.00 -0.03 0.00 0.00 54.58 55.12 2p58 n ASN 59 Cb 0.04 -0.45 -0.08 0.00 -0.61 0.00 0.00 39.78 38.68 2p58 n ASN 59 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 2p58 n LYS 60 N -1.45 1.62 -0.33 3.52 4.76 -0.30 -4.55 118.16 121.43 2p58 n LYS 60 Ca 0.03 -0.08 0.10 0.00 -2.87 0.00 0.00 58.31 55.49 2p58 n LYS 60 Cb 0.11 -1.27 0.27 0.00 -1.84 0.00 0.00 35.03 32.30 2p58 n LYS 60 CO 0.00 0.00 0.00 -1.49 -1.37 0.00 0.00 177.40 174.54 2p58 h TRP 61 N 0.18 0.94 -0.25 2.13 6.55 -1.14 -0.78 115.95 123.58 2p58 h TRP 61 Ca 0.00 0.03 0.06 0.00 0.95 0.00 0.00 58.89 59.93 2p58 h TRP 61 Cb 0.40 -0.28 -0.06 0.00 -0.86 0.00 0.00 29.16 28.37 2p58 h TRP 61 CO 0.00 0.23 -0.15 1.03 -1.05 0.00 0.00 178.44 178.51 2p58 h SER 62 N 0.72 -0.48 0.79 -3.49 0.87 -1.77 -0.99 113.55 109.20 2p58 h SER 62 Ca 0.52 0.11 -0.22 0.00 -1.23 0.00 0.00 61.79 60.96 2p58 h SER 62 Cb 0.75 0.25 -0.02 0.00 -0.44 0.00 0.00 62.40 62.95 2p58 h SER 62 CO -0.36 -0.18 -1.04 -0.37 -0.53 0.00 0.00 176.83 174.34 2p58 h VAL 63 N -0.13 1.60 -0.65 2.23 -1.51 -1.74 0.22 116.25 116.27 2p58 h VAL 63 Ca 0.14 -3.12 -0.06 0.00 -1.23 0.00 0.00 66.70 62.43 2p58 h VAL 63 Cb 0.33 2.78 -0.03 0.00 -2.13 0.00 0.00 31.29 32.25 2p58 h VAL 63 CO -0.32 0.90 0.18 0.40 -1.23 0.00 0.00 177.57 177.50 2p58 h ILE 64 N 0.04 1.25 -0.02 7.19 2.04 -0.96 -3.25 117.51 123.81 2p58 h ILE 64 Ca -0.05 -0.90 0.00 0.00 1.00 0.00 0.00 64.86 64.90 2p58 h ILE 64 Cb 1.76 0.59 0.00 0.00 -0.74 0.00 0.00 36.82 38.43 2p58 h ILE 64 CO 0.15 0.34 0.00 -1.22 0.00 0.00 0.00 178.15 177.43 2p58 n TYR 65 N -4.32 0.01 -3.47 1.37 4.02 -0.39 -5.02 117.16 109.36 2p58 n TYR 65 Ca 0.04 -0.01 -0.22 0.00 -0.01 0.00 0.00 57.90 57.71 2p58 n TYR 65 Cb 0.23 -0.00 0.06 0.00 -0.02 0.00 0.00 39.34 39.61 2p58 n TYR 65 CO 0.00 0.00 0.00 -1.71 -1.01 0.00 0.00 176.86 174.14 2p58 n ASN 66 N 0.59 -5.18 -4.20 7.72 5.15 0.64 -5.02 115.26 114.95 2p58 n ASN 66 Ca 0.06 -0.82 -0.20 0.00 -0.60 0.00 0.00 54.58 53.02 2p58 n ASN 66 Cb 0.27 -4.44 -0.12 0.00 -0.53 0.00 0.00 39.78 34.96 2p58 n ASN 66 CO 0.00 0.00 0.00 0.27 1.40 0.00 0.00 177.26 178.93 2p58 s ILE 67 N -3.45 1.31 0.90 -1.44 -4.36 -0.46 -5.03 121.20 108.67 2p58 s ILE 67 Ca 0.38 -1.32 -0.13 0.00 -0.26 0.00 0.00 60.65 59.32 2p58 s ILE 67 Cb -0.09 -1.22 0.14 0.00 1.25 0.00 0.00 42.46 42.54 2p58 s ILE 67 CO 0.79 -0.12 1.16 0.54 0.24 0.00 0.00 174.94 177.54 2p58 s ASN 68 N -1.67 3.59 0.52 4.36 2.20 -1.26 -4.35 114.94 118.33 2p58 s ASN 68 Ca 0.01 0.87 0.17 0.00 -0.94 0.00 0.00 52.86 52.98 2p58 s ASN 68 Cb -0.10 -1.39 1.31 0.00 -2.00 0.00 0.00 41.25 39.07 2p58 s ASN 68 CO 0.03 -2.49 2.15 0.77 -2.94 0.00 0.00 177.10 174.61 2p58 h SER 69 N -1.46 0.00 -0.33 3.54 4.64 -1.99 -2.32 113.55 115.64 2p58 h SER 69 Ca -0.49 0.00 -0.07 0.00 -0.47 0.00 0.00 61.79 60.76 2p58 h SER 69 Cb 1.32 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.40 2p58 h SER 69 CO 0.60 0.00 -0.05 0.74 -0.87 0.00 0.00 176.83 177.25 2p58 h THR 70 N 0.00 1.27 -0.09 2.95 2.02 -1.99 -1.05 112.91 116.02 2p58 h THR 70 Ca 0.02 -1.07 -0.01 0.00 0.77 0.00 0.00 66.41 66.12 2p58 h THR 70 Cb 0.07 1.31 -0.00 0.00 -1.74 0.00 0.00 68.15 67.78 2p58 h THR 70 CO -0.00 0.35 0.03 0.40 0.37 0.00 0.00 175.52 176.67 2p58 h ILE 71 N 0.40 1.16 -0.38 3.11 2.04 -1.81 -2.15 117.51 119.88 2p58 h ILE 71 Ca 0.09 -0.48 0.03 0.00 1.00 0.00 0.00 64.86 65.50 2p58 h ILE 71 Cb 0.53 1.31 -0.03 0.00 -0.74 0.00 0.00 36.82 37.88 2p58 h ILE 71 CO 0.03 0.14 0.18 0.58 0.00 0.00 0.00 178.15 179.07 2p58 h VAL 72 N -0.02 0.96 -0.84 1.67 2.07 -1.39 -2.77 116.25 115.93 2p58 h VAL 72 Ca 0.03 -0.12 -0.01 0.00 0.82 0.00 0.00 66.70 67.42 2p58 h VAL 72 Cb 0.19 0.56 -0.04 0.00 -1.52 0.00 0.00 31.29 30.49 2p58 h VAL 72 CO -0.00 0.07 0.49 -0.09 0.02 0.00 0.00 177.57 178.05 2p58 h ARG 73 N 0.36 1.15 -1.00 1.57 2.43 -1.13 0.17 114.38 117.93 2p58 h ARG 73 Ca 0.16 -0.11 0.00 0.00 -0.81 0.00 0.00 59.98 59.22 2p58 h ARG 73 Cb 0.09 -0.24 0.00 0.00 -0.42 0.00 0.00 29.97 29.40 2p58 h ARG 73 CO -0.13 0.82 0.00 -1.13 -1.51 0.00 0.00 179.97 178.02 2p58 n SER 74 N -4.42 0.69 0.00 -3.80 3.41 -0.82 -1.19 113.62 107.49 2p58 n SER 74 Ca 0.09 -0.69 0.00 0.00 -0.26 0.00 0.00 58.87 58.00 2p58 n SER 74 Cb 0.07 -0.17 0.00 0.00 -0.26 0.00 0.00 64.21 63.85 2p58 n SER 74 CO 0.00 0.00 0.00 1.17 -0.16 0.00 0.00 175.04 176.05 2p58 n LYS 76 N 0.58 0.00 -0.12 4.33 4.81 0.58 -1.47 118.16 126.87 2p58 n LYS 76 Ca 0.00 0.00 -0.04 0.00 -0.87 0.00 0.00 58.31 57.40 2p58 n LYS 76 Cb 0.13 0.00 0.17 0.00 0.02 0.00 0.00 35.03 35.35 2p58 n LYS 76 CO 0.00 0.00 0.00 -0.44 1.17 0.00 0.00 177.40 178.13 2p58 h ASP 77 N 0.00 0.78 0.00 3.14 3.32 -1.39 -0.58 116.42 121.69 2p58 h ASP 77 Ca 0.00 -0.17 0.00 0.00 0.02 0.00 0.00 57.03 56.88 2p58 h ASP 77 Cb 0.00 -0.21 0.00 0.00 0.22 0.00 0.00 39.33 39.34 2p58 h ASP 77 CO 0.00 0.81 0.00 0.18 -1.72 0.00 0.00 179.24 178.51 2p58 n LEU 78 N -4.24 0.89 0.00 1.55 4.77 -0.54 -1.11 117.00 118.32 2p58 n LEU 78 Ca 0.03 -0.45 0.00 0.00 -0.03 0.00 0.00 56.01 55.56 2p58 n LEU 78 Cb 0.27 -0.20 0.00 0.00 -2.33 0.00 0.00 43.42 41.16 2p58 n LEU 78 CO 0.41 0.16 0.00 0.00 -1.33 0.00 0.00 177.39 176.63 2p58 n GLN 80 N 0.60 0.00 -0.21 3.23 6.02 -0.23 -1.17 117.38 125.62 2p58 n GLN 80 Ca 0.00 0.00 -0.01 0.00 -0.01 0.00 0.00 57.00 56.98 2p58 n GLN 80 Cb 0.16 0.00 0.20 0.00 1.02 0.00 0.00 30.24 31.62 2p58 n GLN 80 CO 0.00 0.00 0.00 0.78 -1.01 0.00 0.00 177.06 176.83 2p58 h GLY 81 N 0.00 1.07 1.04 1.08 0.00 -1.37 -0.42 103.07 104.47 2p58 h GLY 81 Ca 0.00 -0.47 -0.09 0.00 0.00 0.00 0.00 47.33 46.77 2p58 h GLY 81 CO 0.00 0.45 -0.03 -2.22 0.00 0.00 0.00 176.54 174.74 2p58 h ILE 82 N 1.01 1.27 -0.07 2.60 2.04 -1.41 -2.81 117.51 120.14 2p58 h ILE 82 Ca 0.26 -1.15 -0.10 0.00 1.00 0.00 0.00 64.86 64.87 2p58 h ILE 82 Cb 0.02 0.97 -0.01 0.00 -0.74 0.00 0.00 36.82 37.06 2p58 h ILE 82 CO -0.04 0.40 -0.40 -0.07 0.00 0.00 0.00 178.15 178.05 2p58 h LEU 83 N 0.80 0.14 -0.64 1.44 3.38 -1.75 -2.81 115.31 115.88 2p58 h LEU 83 Ca 0.14 -0.06 0.00 0.00 0.09 0.00 0.00 57.88 58.06 2p58 h LEU 83 Cb 0.57 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 41.28 2p58 h LEU 83 CO 0.03 0.53 0.00 0.00 0.09 0.00 0.00 178.44 179.09 2p58 n GLN 84 N -4.05 0.18 0.02 1.13 6.02 -0.20 -2.54 117.38 117.94 2p58 n GLN 84 Ca -0.02 0.41 0.13 0.00 -0.01 0.00 0.00 57.00 57.52 2p58 n GLN 84 Cb 0.45 -1.85 0.49 0.00 1.02 0.00 0.00 30.24 30.36 2p58 n GLN 84 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 177.06 177.68 2p58 n LYS 85 N -2.19 0.06 -2.00 -1.09 5.02 -1.06 -4.84 118.16 112.06 2p58 n LYS 85 Ca 0.02 0.04 -0.41 0.00 -2.02 0.00 0.00 58.31 55.94 2p58 n LYS 85 Cb 0.23 -1.56 -0.02 0.00 -0.02 0.00 0.00 35.03 33.65 2p58 n LYS 85 CO 0.00 0.00 0.00 -0.06 -0.52 0.00 0.00 177.40 176.82 2p58 s PHE 86 N -3.03 2.99 -2.00 2.13 0.40 -1.05 -5.15 117.98 112.27 2p58 s PHE 86 Ca 0.12 1.06 0.18 0.00 -0.60 0.00 0.00 56.93 57.70 2p58 s PHE 86 Cb 0.17 -3.82 1.07 0.00 0.51 0.00 0.00 43.02 40.95 2p58 s PHE 86 CO 0.58 -2.63 1.47 -0.35 0.70 0.00 0.00 175.22 174.99