#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 7.12 5.70 -1.20 0.00 -0.87 -1.26 -4.86 114.94 119.56 1bk8 s ASN 3 Ca 0.61 -1.83 -0.21 0.00 -1.57 0.00 0.00 52.86 49.86 1bk8 s ASN 3 Cb -0.08 -2.58 -0.02 0.00 -0.02 0.00 0.00 41.25 38.54 1bk8 s ASN 3 CO 0.09 -2.35 1.84 -0.70 -2.57 0.00 0.00 177.10 173.41 1bk8 s GLU 4 N 5.70 3.09 -0.08 -0.60 2.12 -1.26 -3.15 118.70 124.52 1bk8 s GLU 4 Ca 0.63 -1.42 -0.10 0.00 0.36 0.00 0.00 54.97 54.43 1bk8 s GLU 4 Cb 0.00 -5.35 -0.05 0.00 0.26 0.00 0.00 34.13 29.00 1bk8 s GLU 4 CO 0.09 -3.25 0.24 0.50 -0.54 0.00 0.00 175.26 172.31 1bk8 s ARG 5 N 5.62 3.68 0.89 4.30 3.52 0.42 -4.88 118.95 132.50 1bk8 s ARG 5 Ca 0.62 0.07 -0.12 0.00 -0.13 0.00 0.00 55.73 56.18 1bk8 s ARG 5 Cb 0.01 -3.22 0.12 0.00 -1.56 0.00 0.00 34.95 30.30 1bk8 s ARG 5 CO 0.10 0.70 1.10 -1.25 -0.81 0.00 0.00 175.30 175.13 1bk8 s PRO 6 N -0.91 1.33 -0.55 5.12 0.04 -1.26 -0.62 135.00 138.15 1bk8 s PRO 6 Ca 0.18 0.66 -0.27 0.00 0.04 0.00 0.00 61.00 61.61 1bk8 s PRO 6 Cb -0.14 -1.83 -0.15 0.00 0.04 0.00 0.00 34.50 32.42 1bk8 s PRO 6 CO 0.07 -2.15 1.77 -1.13 0.04 0.00 0.00 177.00 175.60 1bk8 n SER 7 N -3.80 0.37 0.00 6.66 3.41 0.13 -4.69 113.62 115.71 1bk8 n SER 7 Ca 0.07 0.31 0.00 0.00 -0.26 0.00 0.00 58.87 58.98 1bk8 n SER 7 Cb 0.56 -0.66 0.00 0.00 -0.26 0.00 0.00 64.21 63.85 1bk8 n SER 7 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1bk8 n GLN 8 N 5.83 0.00 0.00 4.33 6.02 -1.26 -4.28 117.38 128.02 1bk8 n GLN 8 Ca 0.44 0.00 0.09 0.00 -0.01 0.00 0.00 57.00 57.53 1bk8 n GLN 8 Cb -0.00 0.00 0.43 0.00 1.02 0.00 0.00 30.24 31.69 1bk8 n GLN 8 CO 0.00 0.00 0.00 0.25 -1.01 0.00 0.00 177.06 176.30 1bk8 n THR 9 N 0.00 0.61 -0.14 5.09 -2.24 -1.26 -0.76 114.28 115.58 1bk8 n THR 9 Ca 0.00 0.15 -0.12 0.00 -2.27 0.00 0.00 64.05 61.81 1bk8 n THR 9 Cb 0.00 -0.82 -0.01 0.00 -2.10 0.00 0.00 70.33 67.40 1bk8 n THR 9 CO 0.00 0.00 0.00 -0.25 -0.57 0.00 0.00 175.07 174.25 1bk8 h TRP 10 N 0.00 1.11 -6.87 4.78 2.91 -1.95 -3.48 115.95 112.44 1bk8 h TRP 10 Ca 0.00 -0.29 -0.54 0.00 1.13 0.00 0.00 58.89 59.19 1bk8 h TRP 10 Cb 0.31 -0.25 -0.01 0.00 -0.51 0.00 0.00 29.16 28.70 1bk8 h TRP 10 CO 0.00 1.11 -1.01 0.43 -1.03 0.00 0.00 178.44 177.94 1bk8 n SER 11 N -4.12 -4.18 0.00 2.65 7.64 0.06 -4.87 113.62 110.79 1bk8 n SER 11 Ca -0.01 -1.12 0.00 0.00 1.01 0.00 0.00 58.87 58.75 1bk8 n SER 11 Cb 0.48 -1.51 0.00 0.00 -1.01 0.00 0.00 64.21 62.17 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 -1.86 -0.55 3.86 0.23 0.00 -1.26 -5.13 105.19 100.49 1bk8 n GLY 12 Ca -0.20 -0.74 -0.33 0.00 0.00 0.00 0.00 46.02 44.75 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 6.69 0.69 1.61 2.47 -1.26 -4.64 114.94 116.49 1bk8 s ASN 13 Ca 0.00 1.00 -0.17 0.00 0.42 0.00 0.00 52.86 54.12 1bk8 s ASN 13 Cb 0.00 -2.26 -0.02 0.00 -1.45 0.00 0.00 41.25 37.52 1bk8 s ASN 13 CO 0.00 -0.06 0.84 0.00 -3.72 0.00 0.00 177.10 174.16 1bk8 n GLY 15 N 1.31 -0.01 3.04 0.00 0.00 -1.26 -5.01 105.19 103.26 1bk8 n GLY 15 Ca 0.12 0.00 -0.13 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 -5.05 -0.05 0.42 1.61 3.84 -1.26 -5.05 114.94 109.41 1bk8 s ASN 16 Ca 0.00 0.56 0.15 0.00 0.21 0.00 0.00 52.86 53.78 1bk8 s ASN 16 Cb 0.00 0.52 0.91 0.00 -0.55 0.00 0.00 41.25 42.13 1bk8 s ASN 16 CO 0.00 -0.19 1.92 0.00 -2.79 0.00 0.00 177.10 176.04 1bk8 h THR 17 N 6.01 1.14 -0.12 -5.21 1.03 -1.98 0.87 112.91 114.66 1bk8 h THR 17 Ca -0.31 -0.92 0.00 0.00 -0.01 0.00 0.00 66.41 65.17 1bk8 h THR 17 Cb 1.14 1.50 -0.01 0.00 -1.07 0.00 0.00 68.15 69.72 1bk8 h THR 17 CO 0.29 0.26 0.07 0.00 -0.01 0.00 0.00 175.52 176.12 1bk8 h ALA 18 N 1.74 0.14 -0.74 0.00 0.00 -1.96 -0.42 119.26 118.02 1bk8 h ALA 18 Ca -0.00 -0.00 -0.06 0.00 0.00 0.00 0.00 54.91 54.85 1bk8 h ALA 18 Cb 0.48 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 18.20 1bk8 h ALA 18 CO 0.03 -0.38 0.24 1.25 0.00 0.00 0.00 179.25 180.39 1bk8 h HIS 19 N 0.14 1.19 -0.45 0.00 6.17 -1.72 -0.17 115.15 120.32 1bk8 h HIS 19 Ca 0.04 -0.12 0.09 0.00 0.71 0.00 0.00 60.37 61.09 1bk8 h HIS 19 Cb -0.01 -0.35 -0.08 0.00 2.52 0.00 0.00 27.41 29.49 1bk8 h HIS 19 CO -0.08 0.94 -0.10 0.00 0.71 0.00 0.00 177.93 179.40 1bk8 h ASP 21 N 0.01 0.36 -0.09 0.00 3.58 -0.49 -0.51 116.42 119.28 1bk8 h ASP 21 Ca 0.21 -0.16 0.03 0.00 0.42 0.00 0.00 57.03 57.53 1bk8 h ASP 21 Cb 0.33 -0.09 -0.06 0.00 1.72 0.00 0.00 39.33 41.22 1bk8 h ASP 21 CO -0.45 0.43 -0.53 0.11 -2.88 0.00 0.00 179.24 175.91 1bk8 h LYS 22 N 0.28 -0.59 -0.31 0.28 1.57 -0.49 -1.11 116.57 116.20 1bk8 h LYS 22 Ca 0.09 0.04 0.07 0.00 -1.87 0.00 0.00 60.65 58.98 1bk8 h LYS 22 Cb 0.18 0.13 -0.08 0.00 0.08 0.00 0.00 32.23 32.54 1bk8 h LYS 22 CO -0.01 -0.39 -0.29 1.96 -0.57 0.00 0.00 179.45 180.15 1bk8 h GLN 23 N -0.61 -0.26 -0.76 3.15 1.08 -0.52 0.37 115.11 117.56 1bk8 h GLN 23 Ca 0.03 0.02 0.01 0.00 -1.45 0.00 0.00 58.65 57.26 1bk8 h GLN 23 Cb 0.69 0.06 -0.04 0.00 -0.05 0.00 0.00 27.48 28.14 1bk8 h GLN 23 CO -0.41 -0.17 0.51 0.00 -0.95 0.00 0.00 178.83 177.81 1bk8 h GLN 25 N 1.03 0.42 0.00 0.00 4.20 -0.75 -0.34 115.11 119.67 1bk8 h GLN 25 Ca 0.28 -0.71 -0.00 0.00 0.06 0.00 0.00 58.65 58.28 1bk8 h GLN 25 Cb -0.12 0.26 -0.00 0.00 0.30 0.00 0.00 27.48 27.93 1bk8 h GLN 25 CO -0.06 1.32 -0.18 -0.44 -0.67 0.00 0.00 178.83 178.80 1bk8 h ASP 26 N 0.11 0.00 0.26 1.46 3.32 0.06 -3.36 116.42 118.28 1bk8 h ASP 26 Ca -0.26 -0.01 -0.01 0.00 0.02 0.00 0.00 57.03 56.77 1bk8 h ASP 26 Cb 2.10 0.00 0.00 0.00 0.22 0.00 0.00 39.33 41.65 1bk8 h ASP 26 CO 0.22 0.59 -0.13 -0.50 -1.72 0.00 0.00 179.24 177.71 1bk8 h TRP 27 N -1.00 -0.33 -0.01 4.55 4.06 -0.70 -3.45 115.95 119.08 1bk8 h TRP 27 Ca -0.00 -0.01 0.00 0.00 2.06 0.00 0.00 58.89 60.94 1bk8 h TRP 27 Cb 0.19 0.11 0.00 0.00 -1.00 0.00 0.00 29.16 28.46 1bk8 h TRP 27 CO -0.07 -0.20 0.00 0.39 -3.56 0.00 0.00 178.44 175.00 1bk8 n GLU 28 N -5.01 2.89 -2.72 0.49 -0.58 -0.92 -5.05 120.64 109.74 1bk8 n GLU 28 Ca -0.04 0.00 -0.08 0.00 -0.42 0.00 0.00 57.16 56.61 1bk8 n GLU 28 Cb 0.14 0.00 0.10 0.00 -0.57 0.00 0.00 31.44 31.11 1bk8 n GLU 28 CO 0.00 0.00 0.00 1.63 -0.48 0.00 0.00 177.13 178.28 1bk8 n LYS 29 N 0.00 1.03 -2.20 3.49 4.76 -0.50 -4.53 118.16 120.21 1bk8 n LYS 29 Ca 0.00 -1.84 -0.29 0.00 -2.87 0.00 0.00 58.31 53.31 1bk8 n LYS 29 Cb 0.00 -0.71 0.02 0.00 -1.84 0.00 0.00 35.03 32.51 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 0.24 3.18 0.16 7.82 0.00 -0.26 -4.91 121.76 128.00 1bk8 s ALA 30 Ca 0.22 -0.42 -0.16 0.00 0.00 0.00 0.00 51.96 51.60 1bk8 s ALA 30 Cb 0.32 -2.82 0.09 0.00 0.00 0.00 0.00 23.12 20.71 1bk8 s ALA 30 CO -0.07 -0.75 1.73 0.77 0.00 0.00 0.00 175.76 177.44 1bk8 h SER 31 N -0.23 -0.00 -5.06 0.00 0.02 -0.34 -3.41 113.55 104.53 1bk8 h SER 31 Ca -0.45 0.06 -0.00 0.00 -0.84 0.00 0.00 61.79 60.56 1bk8 h SER 31 Cb 1.23 0.09 0.00 0.00 0.14 0.00 0.00 62.40 63.86 1bk8 h SER 31 CO 0.62 0.04 0.32 -1.38 -1.14 0.00 0.00 176.83 175.29 1bk8 s HIS 32 N -6.16 0.14 0.31 3.45 -3.43 -1.20 -4.93 115.29 103.47 1bk8 s HIS 32 Ca -0.13 -0.80 0.07 0.00 -0.80 0.00 0.00 55.06 53.40 1bk8 s HIS 32 Cb 0.13 0.83 -0.06 0.00 -1.43 0.00 0.00 32.58 32.05 1bk8 s HIS 32 CO 0.71 -1.52 -0.05 0.20 -2.00 0.00 0.00 174.74 172.09 1bk8 s GLY 33 N -3.13 1.98 -0.27 -1.38 0.00 -1.26 -1.13 107.32 102.13 1bk8 s GLY 33 Ca 0.17 -1.99 -0.25 0.00 0.00 0.00 0.00 44.72 42.64 1bk8 s GLY 33 CO 0.11 -1.90 0.96 0.00 0.00 0.00 0.00 173.10 172.27 1bk8 s ALA 34 N -2.94 -1.93 0.30 3.20 0.00 0.30 -4.22 121.76 116.47 1bk8 s ALA 34 Ca 0.31 1.87 -0.23 0.00 0.00 0.00 0.00 51.96 53.92 1bk8 s ALA 34 Cb 0.04 -1.30 -0.09 0.00 0.00 0.00 0.00 23.12 21.77 1bk8 s ALA 34 CO 0.14 -0.27 0.86 0.00 0.00 0.00 0.00 175.76 176.49 1bk8 s HIS 36 N -1.65 0.19 0.15 0.00 3.76 0.30 -4.90 115.29 113.14 1bk8 s HIS 36 Ca 0.49 -0.56 -0.26 0.00 -0.15 0.00 0.00 55.06 54.58 1bk8 s HIS 36 Cb -0.17 0.06 -0.08 0.00 1.11 0.00 0.00 32.58 33.50 1bk8 s HIS 36 CO 0.22 -0.71 0.80 0.21 -0.85 0.00 0.00 174.74 174.40 1bk8 s LYS 37 N -3.91 4.60 -0.18 1.40 2.20 -1.26 -0.21 119.74 122.38 1bk8 s LYS 37 Ca 0.11 1.19 -0.09 0.00 -0.36 0.00 0.00 55.97 56.83 1bk8 s LYS 37 Cb 0.03 -3.28 0.06 0.00 -1.51 0.00 0.00 37.83 33.12 1bk8 s LYS 37 CO -0.04 0.51 0.42 0.50 -0.36 0.00 0.00 175.35 176.38 1bk8 s ARG 38 N -0.93 0.40 -1.68 4.03 6.06 0.15 -4.88 118.95 122.09 1bk8 s ARG 38 Ca 0.37 0.82 -0.16 0.00 -2.50 0.00 0.00 55.73 54.26 1bk8 s ARG 38 Cb -0.23 0.00 0.14 0.00 0.06 0.00 0.00 34.95 34.92 1bk8 s ARG 38 CO 0.27 -0.16 0.69 0.39 -2.50 0.00 0.00 175.30 173.98 1bk8 n GLU 39 N 4.34 -2.80 -1.57 5.12 -0.58 -1.26 -0.35 120.64 123.53 1bk8 n GLU 39 Ca -0.22 0.34 -0.19 0.00 -0.42 0.00 0.00 57.16 56.66 1bk8 n GLU 39 Cb 0.55 -4.91 -0.08 0.00 -0.57 0.00 0.00 31.44 26.42 1bk8 n GLU 39 CO 0.00 0.00 0.00 -1.71 -0.48 0.00 0.00 177.13 174.94 1bk8 n ASN 40 N -2.68 -5.34 -4.19 1.62 5.15 -1.26 -4.99 115.26 103.56 1bk8 n ASN 40 Ca 0.01 0.48 -0.33 0.00 -0.60 0.00 0.00 54.58 54.14 1bk8 n ASN 40 Cb 0.52 -4.55 -0.16 0.00 -0.53 0.00 0.00 39.78 35.07 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 -2.72 2.77 -0.49 1.20 3.76 0.52 -5.08 115.29 115.24 1bk8 s HIS 41 Ca 0.00 -1.33 -0.28 0.00 -0.15 0.00 0.00 55.06 53.29 1bk8 s HIS 41 Cb 0.00 -1.90 0.01 0.00 1.11 0.00 0.00 32.58 31.80 1bk8 s HIS 41 CO 0.00 -0.64 1.40 -1.58 -0.85 0.00 0.00 174.74 173.07 1bk8 s TRP 42 N 1.05 2.36 -0.00 1.40 0.52 -1.26 -0.68 118.94 122.34 1bk8 s TRP 42 Ca -0.01 0.59 -0.00 0.00 0.02 0.00 0.00 56.10 56.69 1bk8 s TRP 42 Cb -0.14 -4.35 -0.04 0.00 -1.15 0.00 0.00 33.47 27.78 1bk8 s TRP 42 CO -0.06 -1.94 0.09 0.15 0.02 0.00 0.00 176.95 175.21 1bk8 s LYS 43 N 5.20 3.09 0.28 4.98 -0.14 0.70 0.00 119.74 133.86 1bk8 s LYS 43 Ca 0.57 -0.48 -0.30 0.00 -1.36 0.00 0.00 55.97 54.40 1bk8 s LYS 43 Cb -0.12 -2.87 -0.11 0.00 -1.68 0.00 0.00 37.83 33.05 1bk8 s LYS 43 CO 0.29 0.65 1.51 0.00 -0.76 0.00 0.00 175.35 177.03 1bk8 s PHE 45 N -0.15 2.29 0.13 0.00 0.40 0.11 0.20 117.98 120.96 1bk8 s PHE 45 Ca 0.60 -0.40 0.10 0.00 -0.60 0.00 0.00 56.93 56.63 1bk8 s PHE 45 Cb -0.45 -1.31 -0.04 0.00 0.51 0.00 0.00 43.02 41.74 1bk8 s PHE 45 CO 0.47 0.23 -0.19 0.00 0.70 0.00 0.00 175.22 176.43 1bk8 s TYR 47 N -1.24 2.13 0.00 0.00 1.51 -0.28 -0.44 117.35 119.03 1bk8 s TYR 47 Ca 0.18 -1.88 0.00 0.00 -1.01 0.00 0.00 57.07 54.36 1bk8 s TYR 47 Cb -0.10 -1.84 0.00 0.00 -0.11 0.00 0.00 41.96 39.91 1bk8 s TYR 47 CO 0.10 -0.85 0.00 1.19 -1.11 0.00 0.00 175.55 174.88 1bk8 n PHE 48 N 4.73 0.00 -0.96 2.71 3.72 -1.19 -0.02 117.46 126.45 1bk8 n PHE 48 Ca -0.03 0.00 -0.14 0.00 -0.05 0.00 0.00 57.45 57.23 1bk8 n PHE 48 Cb 0.43 0.00 -0.04 0.00 -0.94 0.00 0.00 39.48 38.93 1bk8 n PHE 48 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 176.76 176.80 1bk8 n ASN 49 N -0.53 5.95 -0.41 4.37 3.02 -1.21 -2.99 115.26 123.45 1bk8 n ASN 49 Ca 0.00 -2.82 0.14 0.00 -0.03 0.00 0.00 54.58 51.87 1bk8 n ASN 49 Cb 0.00 -1.19 0.59 0.00 -0.61 0.00 0.00 39.78 38.56 1bk8 n ASN 49 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64