#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2bnz n ASP 23 N 0.00 4.18 -4.86 3.14 8.00 -1.26 -4.99 116.55 120.76 2bnz n ASP 23 Ca 0.00 -2.69 -0.32 0.00 0.71 0.00 0.00 54.79 52.49 2bnz n ASP 23 Cb 0.00 -0.64 -0.06 0.00 -0.02 0.00 0.00 41.12 40.40 2bnz n ASP 23 CO 0.00 0.00 0.00 0.27 -0.39 0.00 0.00 177.20 177.08 2bnz s ILE 24 N -2.21 4.79 -0.23 0.53 -4.36 -1.26 -5.07 121.20 113.39 2bnz s ILE 24 Ca 0.38 0.75 -0.11 0.00 -0.26 0.00 0.00 60.65 61.41 2bnz s ILE 24 Cb 0.29 -3.62 0.08 0.00 1.25 0.00 0.00 42.46 40.46 2bnz s ILE 24 CO 0.11 -0.11 0.53 -0.32 0.24 0.00 0.00 174.94 175.38 2bnz s MET 25 N -2.86 0.49 1.15 0.37 1.75 -1.26 -5.16 119.30 113.79 2bnz s MET 25 Ca 0.51 1.08 -0.15 0.00 -1.25 0.00 0.00 55.69 55.88 2bnz s MET 25 Cb -0.11 0.26 0.27 0.00 2.84 0.00 0.00 34.83 38.08 2bnz s MET 25 CO 0.19 -0.19 1.05 0.20 -0.65 0.00 0.00 175.02 175.62 2bnz s GLY 26 N 2.01 1.54 0.34 2.11 0.00 -1.26 -5.06 107.32 106.99 2bnz s GLY 26 Ca -0.07 -0.42 0.08 0.00 0.00 0.00 0.00 44.72 44.31 2bnz s GLY 26 CO -0.16 0.33 -0.06 0.99 0.00 0.00 0.00 173.10 174.20 2bnz s ASP 27 N -3.10 3.40 -0.03 1.64 1.01 -1.26 -5.14 116.67 113.19 2bnz s ASP 27 Ca 0.68 -1.24 -0.00 0.00 0.71 0.00 0.00 52.55 52.69 2bnz s ASP 27 Cb -0.20 -0.29 0.03 0.00 1.01 0.00 0.00 42.92 43.47 2bnz s ASP 27 CO 0.60 -0.31 0.02 -0.75 0.21 0.00 0.00 175.17 174.94 2bnz s LYS 28 N -3.68 0.13 0.36 8.23 2.47 -1.26 -5.13 119.74 120.86 2bnz s LYS 28 Ca 0.32 0.17 -0.27 0.00 -1.56 0.00 0.00 55.97 54.63 2bnz s LYS 28 Cb 0.05 -0.43 -0.09 0.00 -1.46 0.00 0.00 37.83 35.90 2bnz s LYS 28 CO 0.15 -0.19 1.21 0.99 0.16 0.00 0.00 175.35 177.68 2bnz s THR 29 N 1.28 3.03 0.03 3.43 2.01 -1.26 -5.04 115.64 119.12 2bnz s THR 29 Ca -0.06 0.95 -0.02 0.00 0.31 0.00 0.00 61.69 62.86 2bnz s THR 29 Cb -0.13 -3.57 -0.02 0.00 0.01 0.00 0.00 72.50 68.79 2bnz s THR 29 CO -0.03 0.16 0.02 0.68 -0.69 0.00 0.00 174.62 174.76 2bnz s VAL 30 N -1.28 0.13 0.31 3.82 -7.23 -1.26 -5.16 120.40 109.73 2bnz s VAL 30 Ca 0.53 -1.08 -0.15 0.00 -1.81 0.00 0.00 61.98 59.47 2bnz s VAL 30 Cb -0.34 -0.64 -0.09 0.00 0.56 0.00 0.00 36.38 35.86 2bnz s VAL 30 CO 0.44 -0.59 0.73 -0.13 -0.31 0.00 0.00 175.10 175.24 2bnz s ARG 31 N -2.14 4.02 -0.13 4.82 0.52 -1.26 -5.11 118.95 119.67 2bnz s ARG 31 Ca -0.09 0.68 -0.12 0.00 -0.52 0.00 0.00 55.73 55.68 2bnz s ARG 31 Cb -0.05 -2.47 0.04 0.00 0.52 0.00 0.00 34.95 32.99 2bnz s ARG 31 CO -0.03 0.18 0.35 0.08 0.02 0.00 0.00 175.30 175.90 2bnz s VAL 32 N -1.94 -0.00 -0.08 3.52 1.01 -1.26 -5.12 120.40 116.53 2bnz s VAL 32 Ca 0.53 0.01 -0.08 0.00 0.00 0.00 0.00 61.98 62.44 2bnz s VAL 32 Cb -0.11 -0.49 -0.04 0.00 0.00 0.00 0.00 36.38 35.74 2bnz s VAL 32 CO 0.18 0.00 0.28 -1.14 0.00 0.00 0.00 175.10 174.42 2bnz n ARG 33 N 3.01 0.00 0.12 2.72 0.63 -1.26 -4.81 116.66 117.07 2bnz n ARG 33 Ca -0.14 0.00 -0.01 0.00 -0.92 0.00 0.00 57.85 56.78 2bnz n ARG 33 Cb 0.57 -0.28 0.10 0.00 0.45 0.00 0.00 32.46 33.31 2bnz n ARG 33 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 2bnz h ALA 34 N 0.88 0.76 -0.26 5.13 0.00 -1.99 -2.53 119.26 121.24 2bnz h ALA 34 Ca -0.08 -0.61 -0.18 0.00 0.00 0.00 0.00 54.91 54.04 2bnz h ALA 34 Cb 0.25 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.94 2bnz h ALA 34 CO 0.17 0.84 -0.53 0.38 0.00 0.00 0.00 179.25 180.11 2bnz h ASP 35 N 0.00 0.91 -0.52 0.00 3.04 -1.99 -1.72 116.42 116.14 2bnz h ASP 35 Ca -0.01 -0.54 -0.10 0.00 -3.24 0.00 0.00 57.03 53.14 2bnz h ASP 35 Cb 1.29 -0.26 -0.02 0.00 -1.04 0.00 0.00 39.33 39.30 2bnz h ASP 35 CO 0.09 1.29 -0.07 -0.07 -2.04 0.00 0.00 179.24 178.43 2bnz h LEU 36 N 0.58 0.97 -0.49 0.15 3.38 -1.92 -1.71 115.31 116.28 2bnz h LEU 36 Ca 0.01 -0.34 0.05 0.00 0.09 0.00 0.00 57.88 57.69 2bnz h LEU 36 Cb 1.14 -0.26 -0.05 0.00 0.09 0.00 0.00 40.66 41.57 2bnz h LEU 36 CO 0.12 1.08 0.22 -0.74 0.09 0.00 0.00 178.44 179.21 2bnz h HIS 37 N 0.85 0.39 -0.54 1.13 2.76 -1.45 -2.59 115.15 115.70 2bnz h HIS 37 Ca 0.14 0.02 -0.07 0.00 -2.20 0.00 0.00 60.37 58.26 2bnz h HIS 37 Cb 0.63 -0.10 -0.02 0.00 1.55 0.00 0.00 27.41 29.46 2bnz h HIS 37 CO 0.05 0.17 0.06 1.25 -1.30 0.00 0.00 177.93 178.16 2bnz h HIS 38 N 0.43 0.91 -0.73 5.26 -0.00 -0.91 0.42 115.15 120.52 2bnz h HIS 38 Ca 0.22 -0.11 0.05 0.00 -0.00 0.00 0.00 60.37 60.53 2bnz h HIS 38 Cb 0.17 -0.25 -0.05 0.00 -0.00 0.00 0.00 27.41 27.27 2bnz h HIS 38 CO -0.12 0.80 0.44 0.82 -0.00 0.00 0.00 177.93 179.86 2bnz h ILE 39 N 0.82 1.01 -0.16 6.26 2.04 -1.11 0.69 117.51 127.07 2bnz h ILE 39 Ca 0.17 -0.28 -0.10 0.00 1.00 0.00 0.00 64.86 65.65 2bnz h ILE 39 Cb 0.40 0.14 0.00 0.00 -0.74 0.00 0.00 36.82 36.61 2bnz h ILE 39 CO 0.01 0.15 -0.29 0.40 0.00 0.00 0.00 178.15 178.42 2bnz h ILE 40 N 0.81 1.36 -0.05 -0.67 1.08 -0.85 -1.24 117.51 117.95 2bnz h ILE 40 Ca 0.32 -1.54 0.03 0.00 -0.39 0.00 0.00 64.86 63.28 2bnz h ILE 40 Cb 0.15 1.96 -0.04 0.00 -3.07 0.00 0.00 36.82 35.82 2bnz h ILE 40 CO -0.17 0.46 -0.19 0.50 -0.69 0.00 0.00 178.15 178.07 2bnz h LYS 41 N 0.10 -0.27 -0.53 2.37 3.64 -0.03 0.99 116.57 122.85 2bnz h LYS 41 Ca 0.01 0.02 0.03 0.00 -1.27 0.00 0.00 60.65 59.43 2bnz h LYS 41 Cb 0.88 0.06 -0.04 0.00 -0.41 0.00 0.00 32.23 32.72 2bnz h LYS 41 CO 0.07 -0.18 0.31 0.82 -2.27 0.00 0.00 179.45 178.20 2bnz h ILE 42 N -0.28 1.04 -0.24 2.00 1.08 -0.87 -1.70 117.51 118.53 2bnz h ILE 42 Ca 0.07 -0.21 -0.13 0.00 -0.39 0.00 0.00 64.86 64.20 2bnz h ILE 42 Cb 0.38 0.37 -0.00 0.00 -3.07 0.00 0.00 36.82 34.50 2bnz h ILE 42 CO -0.21 0.11 -0.36 -0.08 -0.69 0.00 0.00 178.15 176.91 2bnz h GLU 43 N 0.61 0.68 -0.01 2.37 4.57 -0.80 -2.91 114.58 119.09 2bnz h GLU 43 Ca 0.22 -0.40 -0.04 0.00 -1.18 0.00 0.00 59.36 57.95 2bnz h GLU 43 Cb 0.05 0.04 -0.01 0.00 -0.16 0.00 0.00 28.75 28.67 2bnz h GLU 43 CO -0.11 1.02 -0.20 1.79 -1.18 0.00 0.00 179.01 180.34 2bnz h THR 44 N 0.39 1.15 -0.86 0.32 1.35 -0.75 -2.76 112.91 111.75 2bnz h THR 44 Ca 0.02 -0.70 0.02 0.00 -0.55 0.00 0.00 66.41 65.20 2bnz h THR 44 Cb 0.95 1.36 -0.05 0.00 -1.73 0.00 0.00 68.15 68.69 2bnz h THR 44 CO 0.08 0.20 0.56 0.00 -0.25 0.00 0.00 175.52 176.12 2bnz h ALA 45 N 1.79 1.11 -0.95 6.62 0.00 -1.11 -2.94 119.26 123.78 2bnz h ALA 45 Ca 0.00 -0.05 0.07 0.00 0.00 0.00 0.00 54.91 54.93 2bnz h ALA 45 Cb 0.36 -0.33 -0.07 0.00 0.00 0.00 0.00 17.79 17.76 2bnz h ALA 45 CO 0.03 0.45 0.60 0.87 0.00 0.00 0.00 179.25 181.20 2bnz h LYS 46 N 1.13 1.05 0.00 0.00 1.57 -1.42 -3.43 116.57 115.47 2bnz h LYS 46 Ca 0.33 -0.06 0.00 0.00 -1.87 0.00 0.00 60.65 59.04 2bnz h LYS 46 Cb -0.08 -0.24 0.00 0.00 0.08 0.00 0.00 32.23 32.00 2bnz h LYS 46 CO -0.09 0.69 0.00 0.09 -0.57 0.00 0.00 179.45 179.57 2bnz n ASN 47 N -4.56 0.00 -0.08 0.86 4.13 -1.11 -5.06 115.26 109.43 2bnz n ASN 47 Ca 0.15 0.00 -0.14 0.00 1.68 0.00 0.00 54.58 56.27 2bnz n ASN 47 Cb 0.20 0.00 -0.14 0.00 -1.54 0.00 0.00 39.78 38.30 2bnz n ASN 47 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 2bnz n GLY 48 N 5.00 -0.73 3.35 7.41 0.00 -1.24 -5.00 105.19 113.98 2bnz n GLY 48 Ca 0.00 -0.23 -0.29 0.00 0.00 0.00 0.00 46.02 45.50 2bnz n GLY 48 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2bnz n GLY 49 N 1.91 -2.88 3.56 -0.02 0.00 -1.21 -4.93 105.19 101.62 2bnz n GLY 49 Ca -0.34 -1.40 -0.26 0.00 0.00 0.00 0.00 46.02 44.02 2bnz n GLY 49 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2bnz s ASN 50 N -2.64 3.77 0.22 1.61 4.22 -1.26 -4.53 114.94 116.34 2bnz s ASN 50 Ca 0.68 -1.20 -0.02 0.00 -2.14 0.00 0.00 52.86 50.18 2bnz s ASN 50 Cb -0.20 -0.36 0.20 0.00 1.28 0.00 0.00 41.25 42.16 2bnz s ASN 50 CO 0.62 -0.22 1.58 0.58 -2.04 0.00 0.00 177.10 177.62 2bnz h VAL 51 N 1.99 1.30 -0.21 3.54 2.07 -1.94 -3.26 116.25 119.74 2bnz h VAL 51 Ca -0.42 -1.57 0.03 0.00 0.82 0.00 0.00 66.70 65.56 2bnz h VAL 51 Cb 1.25 1.54 -0.03 0.00 -1.52 0.00 0.00 31.29 32.53 2bnz h VAL 51 CO 0.71 0.50 0.02 0.50 0.02 0.00 0.00 177.57 179.32 2bnz h LYS 52 N 0.49 0.09 -0.87 1.57 3.64 -1.99 -1.81 116.57 117.69 2bnz h LYS 52 Ca 0.04 -0.01 0.21 0.00 -1.27 0.00 0.00 60.65 59.62 2bnz h LYS 52 Cb 0.91 -0.02 -0.12 0.00 -0.41 0.00 0.00 32.23 32.59 2bnz h LYS 52 CO 0.08 0.06 0.35 0.93 -2.27 0.00 0.00 179.45 178.60 2bnz h GLU 53 N 0.09 0.37 0.00 1.90 5.08 -1.99 -0.26 114.58 119.77 2bnz h GLU 53 Ca 0.09 -0.02 -0.25 0.00 -1.00 0.00 0.00 59.36 58.18 2bnz h GLU 53 Cb 0.11 -0.08 0.02 0.00 0.50 0.00 0.00 28.75 29.29 2bnz h GLU 53 CO -0.15 0.24 -1.02 0.28 -1.00 0.00 0.00 179.01 177.37 2bnz h VAL 54 N 0.38 1.32 0.00 3.13 2.07 -1.47 -2.54 116.25 119.15 2bnz h VAL 54 Ca 0.53 -2.33 -0.00 0.00 0.82 0.00 0.00 66.70 65.72 2bnz h VAL 54 Cb 0.98 2.41 0.00 0.00 -1.52 0.00 0.00 31.29 33.16 2bnz h VAL 54 CO -0.52 0.71 -0.00 0.24 0.02 0.00 0.00 177.57 178.02 2bnz h MET 55 N 0.34 -0.00 -0.98 1.57 2.86 -0.53 0.30 114.93 118.48 2bnz h MET 55 Ca -0.12 0.00 0.13 0.00 -2.06 0.00 0.00 59.70 57.66 2bnz h MET 55 Cb 1.67 0.00 -0.09 0.00 0.06 0.00 0.00 31.60 33.24 2bnz h MET 55 CO 0.19 0.06 0.60 -0.44 1.06 0.00 0.00 176.91 178.38 2bnz h ASP 56 N -0.06 0.85 -0.33 1.22 3.32 -1.12 0.84 116.42 121.15 2bnz h ASP 56 Ca -0.00 0.06 -0.14 0.00 0.02 0.00 0.00 57.03 56.97 2bnz h ASP 56 Cb 0.06 -0.10 -0.01 0.00 0.22 0.00 0.00 39.33 39.50 2bnz h ASP 56 CO 0.00 0.42 -0.33 -0.61 -1.72 0.00 0.00 179.24 177.01 2bnz h GLN 57 N 0.91 0.81 -0.35 3.56 4.15 -0.94 -2.26 115.11 120.99 2bnz h GLN 57 Ca 0.50 -0.42 -0.06 0.00 0.77 0.00 0.00 58.65 59.44 2bnz h GLN 57 Cb 0.57 0.01 -0.01 0.00 0.21 0.00 0.00 27.48 28.26 2bnz h GLN 57 CO -0.29 1.06 0.00 0.00 -1.93 0.00 0.00 178.83 177.67 2bnz h ALA 58 N 0.73 0.47 -0.93 3.38 0.00 0.31 -1.32 119.26 121.91 2bnz h ALA 58 Ca 0.05 -0.24 0.03 0.00 0.00 0.00 0.00 54.91 54.75 2bnz h ALA 58 Cb 0.91 -0.13 -0.05 0.00 0.00 0.00 0.00 17.79 18.52 2bnz h ALA 58 CO 0.08 0.23 0.60 1.25 0.00 0.00 0.00 179.25 181.42 2bnz h LEU 59 N 0.43 1.01 -0.03 0.00 6.46 -0.87 -0.99 115.31 121.32 2bnz h LEU 59 Ca 0.10 -0.01 -0.01 0.00 -0.12 0.00 0.00 57.88 57.83 2bnz h LEU 59 Cb 0.45 -0.23 -0.00 0.00 -0.73 0.00 0.00 40.66 40.15 2bnz h LEU 59 CO 0.02 0.70 -0.04 -0.08 -0.62 0.00 0.00 178.44 178.42 2bnz h GLU 60 N 1.18 0.07 -0.14 1.25 4.81 -1.20 -0.69 114.58 119.87 2bnz h GLU 60 Ca 0.37 -0.04 0.03 0.00 -0.13 0.00 0.00 59.36 59.58 2bnz h GLU 60 Cb -0.02 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.36 2bnz h GLU 60 CO -0.11 0.59 0.10 0.93 -0.73 0.00 0.00 179.01 179.78 2bnz h GLU 61 N -0.43 0.05 -0.27 1.92 5.08 -1.15 0.25 114.58 120.03 2bnz h GLU 61 Ca 0.00 -0.00 -0.04 0.00 -1.00 0.00 0.00 59.36 58.32 2bnz h GLU 61 Cb 0.58 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.81 2bnz h GLU 61 CO 0.01 0.04 0.01 -0.92 -1.00 0.00 0.00 179.01 177.14 2bnz h TYR 62 N 0.05 0.51 -0.34 4.33 5.03 -0.94 -1.86 116.97 123.76 2bnz h TYR 62 Ca 0.06 -0.09 -0.14 0.00 2.58 0.00 0.00 58.73 61.14 2bnz h TYR 62 Cb 0.18 -0.13 -0.01 0.00 1.55 0.00 0.00 36.73 38.32 2bnz h TYR 62 CO -0.00 0.62 -0.36 0.82 -1.32 0.00 0.00 178.16 177.91 2bnz h ILE 63 N 0.26 1.28 -0.50 1.81 2.04 0.55 -0.20 117.51 122.76 2bnz h ILE 63 Ca 0.08 -1.53 -0.07 0.00 1.00 0.00 0.00 64.86 64.34 2bnz h ILE 63 Cb 0.41 1.41 -0.02 0.00 -0.74 0.00 0.00 36.82 37.87 2bnz h ILE 63 CO 0.01 0.50 0.04 -0.09 0.00 0.00 0.00 178.15 178.62 2bnz h ARG 64 N 0.65 0.80 -0.11 2.37 2.43 -0.62 0.49 114.38 120.38 2bnz h ARG 64 Ca 0.06 -0.20 -0.23 0.00 -0.81 0.00 0.00 59.98 58.81 2bnz h ARG 64 Cb 0.91 -0.10 0.01 0.00 -0.42 0.00 0.00 29.97 30.37 2bnz h ARG 64 CO 0.08 0.78 -0.83 -0.22 -1.51 0.00 0.00 179.97 178.27 2bnz h LYS 65 N 0.76 0.72 0.00 0.20 3.64 -1.04 -3.28 116.57 117.57 2bnz h LYS 65 Ca 0.15 -0.63 -0.04 0.00 -1.27 0.00 0.00 60.65 58.87 2bnz h LYS 65 Cb 0.40 0.14 -0.01 0.00 -0.41 0.00 0.00 32.23 32.35 2bnz h LYS 65 CO 0.01 1.23 -1.65 0.66 -2.27 0.00 0.00 179.45 177.43 2bnz n TYR 66 N -3.90 0.00 -2.67 1.91 4.01 -0.11 -4.73 117.16 111.67 2bnz n TYR 66 Ca -0.08 0.00 -0.09 0.00 -0.16 0.00 0.00 57.90 57.57 2bnz n TYR 66 Cb 0.77 -0.36 0.03 0.00 -0.31 0.00 0.00 39.34 39.47 2bnz n TYR 66 CO 0.00 0.00 0.00 1.28 -0.46 0.00 0.00 176.86 177.68 2bnz n LEU 67 N -2.05 1.26 -0.07 7.72 4.77 0.17 -4.99 117.00 123.80 2bnz n LEU 67 Ca -0.06 -3.71 0.16 0.00 -0.03 0.00 0.00 56.01 52.37 2bnz n LEU 67 Cb 0.45 0.41 0.57 0.00 -2.33 0.00 0.00 43.42 42.53 2bnz n LEU 67 CO 0.27 1.59 1.19 1.55 -1.33 0.00 0.00 177.39 180.66 2bnz h PRO 68 N 2.95 0.24 -0.21 3.23 0.13 -1.54 -0.41 132.00 136.39 2bnz h PRO 68 Ca -0.11 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 65.01 2bnz h PRO 68 Cb 1.18 -0.06 0.00 0.00 0.13 0.00 0.00 31.00 32.26 2bnz h PRO 68 CO 0.47 0.16 0.00 -0.40 -0.23 0.00 0.00 178.00 178.00 2bnz n ASP 69 N -4.44 1.90 -0.15 1.44 3.85 -1.26 -3.73 116.55 114.16 2bnz n ASP 69 Ca 0.11 -1.77 0.11 0.00 -0.71 0.00 0.00 54.79 52.53 2bnz n ASP 69 Cb 0.51 -0.14 0.10 0.00 -1.35 0.00 0.00 41.12 40.25 2bnz n ASP 69 CO 0.00 0.00 0.00 0.29 -1.01 0.00 0.00 177.20 176.48 2bnz n LYS 70 N 0.48 0.41 0.00 0.11 4.01 -0.16 -5.24 118.16 117.77 2bnz n LYS 70 Ca 0.16 -0.30 0.00 0.00 -0.51 0.00 0.00 58.31 57.66 2bnz n LYS 70 Cb 0.36 -1.49 0.00 0.00 -0.51 0.00 0.00 35.03 33.38 2bnz n LYS 70 CO 0.00 0.00 0.00 1.47 -1.11 0.00 0.00 177.40 177.76