#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1bk8 s ASN 3 N 9.52 6.57 0.00 0.00 3.04 0.62 -4.86 114.94 129.83 1bk8 s ASN 3 Ca 1.17 -1.67 -0.30 0.00 0.04 0.00 0.00 52.86 52.10 1bk8 s ASN 3 Cb -0.68 -2.56 -0.05 0.00 -1.54 0.00 0.00 41.25 36.42 1bk8 s ASN 3 CO 0.37 -1.42 1.26 -0.70 -3.04 0.00 0.00 177.10 173.56 1bk8 s GLU 4 N 4.72 4.36 0.02 0.43 2.12 -1.26 -0.81 118.70 128.27 1bk8 s GLU 4 Ca 0.47 1.79 -0.06 0.00 0.36 0.00 0.00 54.97 57.53 1bk8 s GLU 4 Cb 0.00 -3.48 -0.01 0.00 0.26 0.00 0.00 34.13 30.91 1bk8 s GLU 4 CO -0.07 -0.41 0.10 -0.98 -0.54 0.00 0.00 175.26 173.36 1bk8 s ARG 5 N 1.83 0.53 1.25 4.30 1.70 0.45 -4.99 118.95 124.02 1bk8 s ARG 5 Ca 0.59 -0.61 -0.21 0.00 -0.47 0.00 0.00 55.73 55.04 1bk8 s ARG 5 Cb -0.28 0.21 0.31 0.00 -0.57 0.00 0.00 34.95 34.61 1bk8 s ARG 5 CO 0.26 -0.13 1.10 -1.25 -1.08 0.00 0.00 175.30 174.20 1bk8 s PRO 6 N -2.05 -1.60 -0.45 3.89 0.04 -1.26 -0.72 135.00 132.85 1bk8 s PRO 6 Ca -0.10 -0.13 -0.30 0.00 0.04 0.00 0.00 61.00 60.51 1bk8 s PRO 6 Cb -0.04 -1.56 -0.10 0.00 0.04 0.00 0.00 34.50 32.84 1bk8 s PRO 6 CO -0.02 -3.95 2.34 -1.13 0.04 0.00 0.00 177.00 174.28 1bk8 n SER 7 N -4.92 2.20 -0.06 6.66 3.41 -0.60 -4.38 113.62 115.93 1bk8 n SER 7 Ca 0.14 0.03 -0.03 0.00 -0.26 0.00 0.00 58.87 58.75 1bk8 n SER 7 Cb 0.60 -1.39 -0.01 0.00 -0.26 0.00 0.00 64.21 63.14 1bk8 n SER 7 CO 0.00 0.00 0.00 1.56 -0.16 0.00 0.00 175.04 176.44 1bk8 h GLN 8 N 15.32 0.00 0.01 4.33 4.20 -1.90 -3.42 115.11 133.65 1bk8 h GLN 8 Ca -0.26 0.00 -0.00 0.00 0.06 0.00 0.00 58.65 58.45 1bk8 h GLN 8 Cb 1.29 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.07 1bk8 h GLN 8 CO 1.10 0.03 -0.00 1.79 -0.67 0.00 0.00 178.83 181.08 1bk8 h THR 9 N -1.00 1.55 -0.20 -0.54 1.35 -1.95 -3.41 112.91 108.72 1bk8 h THR 9 Ca -0.01 -1.70 -0.34 0.00 -0.55 0.00 0.00 66.41 63.81 1bk8 h THR 9 Cb 0.34 2.70 0.02 0.00 -1.73 0.00 0.00 68.15 69.48 1bk8 h THR 9 CO -0.00 0.44 1.05 1.87 -0.25 0.00 0.00 175.52 178.63 1bk8 n TRP 10 N -4.74 1.63 -1.72 4.73 -0.00 -1.26 -4.82 117.44 111.26 1bk8 n TRP 10 Ca -0.09 -1.02 -0.41 0.00 -0.00 0.00 0.00 57.50 55.98 1bk8 n TRP 10 Cb 0.36 -2.16 -0.01 0.00 -0.00 0.00 0.00 31.31 29.50 1bk8 n TRP 10 CO 0.00 0.00 0.00 0.43 -0.00 0.00 0.00 177.69 178.12 1bk8 n SER 11 N 13.84 6.02 0.00 5.87 7.64 -1.26 -4.73 113.62 141.00 1bk8 n SER 11 Ca 0.45 -2.83 0.00 0.00 1.01 0.00 0.00 58.87 57.50 1bk8 n SER 11 Cb 0.45 -1.57 0.00 0.00 -1.01 0.00 0.00 64.21 62.08 1bk8 n SER 11 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1bk8 n GLY 12 N 3.49 -0.82 3.89 0.23 0.00 -1.26 -5.15 105.19 105.57 1bk8 n GLY 12 Ca 0.60 -0.26 -0.31 0.00 0.00 0.00 0.00 46.02 46.04 1bk8 n GLY 12 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1bk8 s ASN 13 N -4.00 6.53 0.63 1.61 2.47 -1.26 -4.71 114.94 116.22 1bk8 s ASN 13 Ca 0.00 0.74 -0.18 0.00 0.42 0.00 0.00 52.86 53.84 1bk8 s ASN 13 Cb 0.00 -2.15 -0.03 0.00 -1.45 0.00 0.00 41.25 37.62 1bk8 s ASN 13 CO 0.00 -0.04 1.00 0.00 -3.72 0.00 0.00 177.10 174.34 1bk8 n GLY 15 N 1.23 -0.11 3.31 0.00 0.00 -1.26 -4.98 105.19 103.38 1bk8 n GLY 15 Ca 0.14 -0.04 -0.10 0.00 0.00 0.00 0.00 46.02 46.02 1bk8 n GLY 15 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1bk8 s ASN 16 N -5.66 -0.56 0.45 1.61 3.84 -1.26 -5.03 114.94 108.33 1bk8 s ASN 16 Ca -0.08 0.96 0.12 0.00 0.21 0.00 0.00 52.86 54.07 1bk8 s ASN 16 Cb 0.03 0.84 1.04 0.00 -0.55 0.00 0.00 41.25 42.61 1bk8 s ASN 16 CO 0.11 -0.20 2.05 0.00 -2.79 0.00 0.00 177.10 176.27 1bk8 h THR 17 N 5.45 0.99 0.00 -5.21 1.03 -1.96 0.12 112.91 113.34 1bk8 h THR 17 Ca -0.36 -0.12 -0.00 0.00 -0.01 0.00 0.00 66.41 65.92 1bk8 h THR 17 Cb 1.19 0.61 -0.00 0.00 -1.07 0.00 0.00 68.15 68.88 1bk8 h THR 17 CO 0.28 0.06 -0.02 0.00 -0.01 0.00 0.00 175.52 175.84 1bk8 h ALA 18 N 1.79 1.12 0.04 0.00 0.00 -1.96 -0.95 119.26 119.31 1bk8 h ALA 18 Ca 0.16 -0.02 -0.29 0.00 0.00 0.00 0.00 54.91 54.77 1bk8 h ALA 18 Cb 0.20 -0.00 -0.03 0.00 0.00 0.00 0.00 17.79 17.96 1bk8 h ALA 18 CO -0.04 0.02 -1.56 1.58 0.00 0.00 0.00 179.25 179.26 1bk8 n HIS 19 N -3.28 1.08 -0.30 0.00 -0.00 0.25 -4.08 115.22 108.88 1bk8 n HIS 19 Ca -0.02 0.37 0.01 0.00 -0.00 0.00 0.00 57.72 58.08 1bk8 n HIS 19 Cb 0.13 -1.12 0.08 0.00 -0.00 0.00 0.00 29.99 29.08 1bk8 n HIS 19 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 1bk8 h ASP 21 N -0.02 1.07 -0.01 0.00 3.58 -1.39 -0.31 116.42 119.33 1bk8 h ASP 21 Ca 0.37 -0.15 0.01 0.00 0.42 0.00 0.00 57.03 57.68 1bk8 h ASP 21 Cb 0.61 -0.28 -0.02 0.00 1.72 0.00 0.00 39.33 41.37 1bk8 h ASP 21 CO -0.87 0.93 -0.07 0.11 -2.88 0.00 0.00 179.24 176.46 1bk8 h LYS 22 N 1.14 -0.12 0.04 0.28 1.57 -0.90 -0.99 116.57 117.58 1bk8 h LYS 22 Ca 0.27 0.01 0.02 0.00 -1.87 0.00 0.00 60.65 59.07 1bk8 h LYS 22 Cb 0.17 0.03 -0.02 0.00 0.08 0.00 0.00 32.23 32.48 1bk8 h LYS 22 CO -0.03 -0.08 -0.13 1.96 -0.57 0.00 0.00 179.45 180.60 1bk8 h GLN 23 N -0.12 -0.23 -0.84 3.15 4.20 -0.38 0.33 115.11 121.23 1bk8 h GLN 23 Ca 0.03 0.02 0.07 0.00 0.06 0.00 0.00 58.65 58.83 1bk8 h GLN 23 Cb 0.16 0.05 -0.05 0.00 0.30 0.00 0.00 27.48 27.94 1bk8 h GLN 23 CO -0.08 -0.15 0.55 0.00 -0.67 0.00 0.00 178.83 178.47 1bk8 h GLN 25 N 0.91 0.52 0.00 0.00 4.20 -0.82 0.42 115.11 120.34 1bk8 h GLN 25 Ca 0.36 -0.89 -0.02 0.00 0.06 0.00 0.00 58.65 58.16 1bk8 h GLN 25 Cb 0.25 0.33 -0.00 0.00 0.30 0.00 0.00 27.48 28.36 1bk8 h GLN 25 CO -0.13 1.43 -0.35 -0.44 -0.67 0.00 0.00 178.83 178.66 1bk8 h ASP 26 N 0.14 0.00 0.20 1.46 5.19 0.10 -3.37 116.42 120.14 1bk8 h ASP 26 Ca -0.28 -0.15 -0.01 0.00 -0.62 0.00 0.00 57.03 55.98 1bk8 h ASP 26 Cb 2.16 0.00 0.00 0.00 0.18 0.00 0.00 39.33 41.68 1bk8 h ASP 26 CO 0.26 0.76 -0.10 -0.50 -3.12 0.00 0.00 179.24 176.54 1bk8 h TRP 27 N -1.00 -0.25 0.00 4.55 4.06 -0.58 -3.44 115.95 119.28 1bk8 h TRP 27 Ca -0.04 -0.01 0.00 0.00 2.06 0.00 0.00 58.89 60.91 1bk8 h TRP 27 Cb 0.45 0.08 0.00 0.00 -1.00 0.00 0.00 29.16 28.69 1bk8 h TRP 27 CO -0.05 0.03 0.00 0.39 -3.56 0.00 0.00 178.44 175.25 1bk8 n GLU 28 N -4.95 3.07 -2.70 0.49 1.02 -0.86 -5.05 120.64 111.66 1bk8 n GLU 28 Ca -0.06 0.00 -0.07 0.00 -0.02 0.00 0.00 57.16 57.01 1bk8 n GLU 28 Cb 0.20 0.00 0.10 0.00 -0.02 0.00 0.00 31.44 31.73 1bk8 n GLU 28 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 1bk8 n LYS 29 N 0.00 1.06 -2.55 3.49 4.76 -0.80 -4.64 118.16 119.48 1bk8 n LYS 29 Ca 0.00 -1.75 -0.30 0.00 -2.87 0.00 0.00 58.31 53.39 1bk8 n LYS 29 Cb 0.00 -0.30 -0.02 0.00 -1.84 0.00 0.00 35.03 32.88 1bk8 n LYS 29 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1bk8 s ALA 30 N 0.20 3.27 0.17 7.82 0.00 0.07 -4.85 121.76 128.45 1bk8 s ALA 30 Ca 0.21 -0.20 -0.14 0.00 0.00 0.00 0.00 51.96 51.83 1bk8 s ALA 30 Cb 0.35 -2.81 0.12 0.00 0.00 0.00 0.00 23.12 20.78 1bk8 s ALA 30 CO -0.08 -0.25 1.75 0.77 0.00 0.00 0.00 175.76 177.95 1bk8 h SER 31 N 0.66 0.15 -2.96 0.00 0.02 -0.27 -3.38 113.55 107.76 1bk8 h SER 31 Ca -0.46 0.05 -0.05 0.00 -0.84 0.00 0.00 61.79 60.49 1bk8 h SER 31 Cb 1.19 0.04 0.00 0.00 0.14 0.00 0.00 62.40 63.78 1bk8 h SER 31 CO 0.63 0.12 0.22 0.00 -1.14 0.00 0.00 176.83 176.65 1bk8 n HIS 32 N -5.02 -2.20 -4.42 3.45 1.44 -1.00 -4.91 115.22 102.56 1bk8 n HIS 32 Ca 0.03 -1.79 -0.21 0.00 -2.01 0.00 0.00 57.72 53.74 1bk8 n HIS 32 Cb 0.17 0.84 -0.10 0.00 0.12 0.00 0.00 29.99 31.01 1bk8 n HIS 32 CO 0.00 0.00 0.00 0.20 -2.81 0.00 0.00 176.34 173.73 1bk8 s GLY 33 N -2.95 1.82 -0.28 -1.39 0.00 -1.26 -0.66 107.32 102.60 1bk8 s GLY 33 Ca 0.16 -1.90 -0.18 0.00 0.00 0.00 0.00 44.72 42.80 1bk8 s GLY 33 CO 0.12 -1.83 0.87 0.00 0.00 0.00 0.00 173.10 172.27 1bk8 s ALA 34 N -3.06 -2.05 0.38 3.20 0.00 0.36 -4.36 121.76 116.23 1bk8 s ALA 34 Ca 0.30 2.20 -0.25 0.00 0.00 0.00 0.00 51.96 54.21 1bk8 s ALA 34 Cb 0.04 -1.52 -0.09 0.00 0.00 0.00 0.00 23.12 21.54 1bk8 s ALA 34 CO 0.12 -0.34 1.02 0.00 0.00 0.00 0.00 175.76 176.56 1bk8 s HIS 36 N -1.66 -0.02 -0.20 0.00 3.76 0.33 -4.87 115.29 112.62 1bk8 s HIS 36 Ca 0.56 0.03 -0.26 0.00 -0.15 0.00 0.00 55.06 55.24 1bk8 s HIS 36 Cb -0.21 -0.02 -0.01 0.00 1.11 0.00 0.00 32.58 33.46 1bk8 s HIS 36 CO 0.26 -0.23 0.86 0.21 -0.85 0.00 0.00 174.74 174.99 1bk8 s LYS 37 N -0.98 4.25 -0.08 1.40 2.20 -1.26 -0.16 119.74 125.10 1bk8 s LYS 37 Ca -0.11 1.04 0.03 0.00 -0.36 0.00 0.00 55.97 56.57 1bk8 s LYS 37 Cb -0.06 -3.61 0.01 0.00 -1.51 0.00 0.00 37.83 32.66 1bk8 s LYS 37 CO 0.01 -0.44 -0.16 1.03 -0.36 0.00 0.00 175.35 175.43 1bk8 s ARG 38 N 2.56 2.13 -1.50 4.03 1.81 0.10 -4.83 118.95 123.24 1bk8 s ARG 38 Ca 0.38 -0.56 -0.04 0.00 -1.72 0.00 0.00 55.73 53.79 1bk8 s ARG 38 Cb -0.16 -1.72 0.04 0.00 -0.45 0.00 0.00 34.95 32.66 1bk8 s ARG 38 CO 0.10 0.04 0.41 0.39 -0.68 0.00 0.00 175.30 175.56 1bk8 n GLU 39 N 3.83 -2.75 0.00 3.54 4.71 -1.26 -0.05 120.64 128.66 1bk8 n GLU 39 Ca -0.21 0.33 0.00 0.00 -0.01 0.00 0.00 57.16 57.27 1bk8 n GLU 39 Cb 0.52 -4.45 0.00 0.00 -1.01 0.00 0.00 31.44 26.50 1bk8 n GLU 39 CO 0.00 0.00 0.00 -1.71 0.09 0.00 0.00 177.13 175.51 1bk8 n ASN 40 N -2.90 0.00 -4.62 1.62 5.15 -1.26 -4.96 115.26 108.29 1bk8 n ASN 40 Ca -0.23 0.00 -0.41 0.00 -0.60 0.00 0.00 54.58 53.34 1bk8 n ASN 40 Cb 0.65 -0.52 -0.06 0.00 -0.53 0.00 0.00 39.78 39.32 1bk8 n ASN 40 CO 0.00 0.00 0.00 -1.00 1.40 0.00 0.00 177.26 177.66 1bk8 s HIS 41 N -1.14 3.27 -0.45 1.20 3.76 0.93 -4.98 115.29 117.87 1bk8 s HIS 41 Ca 0.00 0.81 -0.28 0.00 -0.15 0.00 0.00 55.06 55.44 1bk8 s HIS 41 Cb 0.00 -2.91 0.01 0.00 1.11 0.00 0.00 32.58 30.79 1bk8 s HIS 41 CO 0.00 -0.37 1.43 -1.58 -0.85 0.00 0.00 174.74 173.37 1bk8 s TRP 42 N 2.59 2.34 -0.13 1.40 0.52 -1.26 -0.72 118.94 123.67 1bk8 s TRP 42 Ca 0.27 0.62 -0.10 0.00 0.02 0.00 0.00 56.10 56.91 1bk8 s TRP 42 Cb -0.15 -4.33 -0.05 0.00 -1.15 0.00 0.00 33.47 27.79 1bk8 s TRP 42 CO 0.09 -2.00 0.21 0.15 0.02 0.00 0.00 176.95 175.42 1bk8 s LYS 43 N 5.15 3.90 -0.50 4.98 -0.14 0.77 0.38 119.74 134.27 1bk8 s LYS 43 Ca 0.59 -0.02 -0.27 0.00 -1.36 0.00 0.00 55.97 54.91 1bk8 s LYS 43 Cb -0.13 -3.31 -0.03 0.00 -1.68 0.00 0.00 37.83 32.68 1bk8 s LYS 43 CO 0.31 0.51 1.93 0.00 -0.76 0.00 0.00 175.35 177.34 1bk8 s PHE 45 N 8.91 3.50 0.12 0.00 0.40 -0.06 -1.56 117.98 129.28 1bk8 s PHE 45 Ca 0.76 1.32 0.10 0.00 -0.60 0.00 0.00 56.93 58.51 1bk8 s PHE 45 Cb -0.16 -2.59 -0.04 0.00 0.51 0.00 0.00 43.02 40.73 1bk8 s PHE 45 CO 0.25 0.20 -0.25 0.00 0.70 0.00 0.00 175.22 176.12 1bk8 s TYR 47 N -1.07 2.17 0.65 0.00 1.51 0.16 -0.41 117.35 120.37 1bk8 s TYR 47 Ca 0.15 -1.89 -0.02 0.00 -1.01 0.00 0.00 57.07 54.30 1bk8 s TYR 47 Cb -0.10 -1.84 0.13 0.00 -0.11 0.00 0.00 41.96 40.04 1bk8 s TYR 47 CO 0.07 -0.84 0.90 1.19 -1.11 0.00 0.00 175.55 175.75 1bk8 n PHE 48 N 4.72 -3.15 -1.56 2.71 3.01 0.00 0.46 117.46 123.66 1bk8 n PHE 48 Ca -0.04 -1.43 -0.19 0.00 1.01 0.00 0.00 57.45 56.79 1bk8 n PHE 48 Cb 0.43 -0.66 -0.08 0.00 -0.01 0.00 0.00 39.48 39.16 1bk8 n PHE 48 CO 0.00 0.00 0.00 -1.71 1.01 0.00 0.00 176.76 176.06 1bk8 n ASN 49 N -3.04 -5.42 -0.77 4.37 2.85 -1.26 -0.28 115.26 111.72 1bk8 n ASN 49 Ca 0.14 0.48 0.10 0.00 -0.11 0.00 0.00 54.58 55.18 1bk8 n ASN 49 Cb 0.50 -4.69 0.08 0.00 1.24 0.00 0.00 39.78 36.91 1bk8 n ASN 49 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15