#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 6.44 5.59 -1.13 0.00 0.02 -1.26 -4.75 114.94 119.84 1bk8 s ASN 3 Ca 0.68 -0.70 -0.22 0.00 -1.02 0.00 0.00 52.86 51.61 1bk8 s ASN 3 Cb 0.01 -2.56 -0.00 0.00 0.02 0.00 0.00 41.25 38.72 1bk8 s ASN 3 CO 0.14 -2.30 1.78 -0.70 0.02 0.00 0.00 177.10 176.03 1bk8 s GLU 4 N 6.40 3.18 0.22 -0.60 2.12 -1.26 -1.21 118.70 127.54 1bk8 s GLU 4 Ca 0.61 -1.22 -0.22 0.00 0.36 0.00 0.00 54.97 54.50 1bk8 s GLU 4 Cb -0.06 -5.32 -0.08 0.00 0.26 0.00 0.00 34.13 28.93 1bk8 s GLU 4 CO 0.01 -2.98 0.76 0.50 -0.54 0.00 0.00 175.26 173.02 1bk8 s ARG 5 N 5.60 4.36 1.21 4.30 3.52 0.82 -4.86 118.95 133.90 1bk8 s ARG 5 Ca 0.60 0.98 -0.18 0.00 -0.13 0.00 0.00 55.73 57.00 1bk8 s ARG 5 Cb -0.00 -2.97 0.24 0.00 -1.56 0.00 0.00 34.95 30.66 1bk8 s ARG 5 CO 0.04 0.43 0.55 -2.30 -0.81 0.00 0.00 175.30 173.20 1bk8 n PRO 6 N 0.93 -2.82 -1.55 5.12 -0.02 -1.26 -0.53 135.00 134.87 1bk8 n PRO 6 Ca -0.03 -0.82 -0.60 0.00 -2.02 0.00 0.00 63.50 60.03 1bk8 n PRO 6 Cb 0.50 -1.84 -0.09 0.00 -0.02 0.00 0.00 33.50 32.06 1bk8 n PRO 6 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 1bk8 n SER 7 N -3.53 0.52 0.00 2.55 3.41 -0.88 -4.40 113.62 111.29 1bk8 n SER 7 Ca 0.05 1.13 0.00 0.00 -0.26 0.00 0.00 58.87 59.78 1bk8 n SER 7 Cb 0.55 -0.87 0.00 0.00 -0.26 0.00 0.00 64.21 63.63 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 2.52 0.00 -0.67 4.33 1.13 -1.26 -4.85 117.38 118.57 1bk8 n GLN 8 Ca 0.24 0.00 0.05 0.00 -1.94 0.00 0.00 57.00 55.35 1bk8 n GLN 8 Cb 0.02 -0.05 0.31 0.00 0.11 0.00 0.00 30.24 30.62 1bk8 n GLN 8 CO 0.00 0.00 0.00 0.25 -1.44 0.00 0.00 177.06 175.87 1bk8 n THR 9 N -1.49 2.06 -3.85 5.09 -2.24 -1.26 -4.91 114.28 107.68 1bk8 n THR 9 Ca 0.00 -1.05 -0.29 0.00 -2.27 0.00 0.00 64.05 60.44 1bk8 n THR 9 Cb 0.00 -0.32 -0.04 0.00 -2.10 0.00 0.00 70.33 67.87 1bk8 n THR 9 CO 0.00 0.00 0.00 0.86 -0.57 0.00 0.00 175.07 175.36 1bk8 s TRP 10 N -2.31 3.50 -1.18 4.78 -0.11 -1.26 -5.00 118.94 117.36 1bk8 s TRP 10 Ca 0.41 0.28 -0.10 0.00 1.22 0.00 0.00 56.10 57.92 1bk8 s TRP 10 Cb 0.31 -1.79 -0.07 0.00 -1.50 0.00 0.00 33.47 30.42 1bk8 s TRP 10 CO 0.12 0.51 2.37 -1.13 -4.62 0.00 0.00 176.95 174.20 1bk8 n SER 11 N -0.10 5.74 0.00 5.86 3.41 -1.26 -4.82 113.62 122.45 1bk8 n SER 11 Ca -0.05 -2.50 0.00 0.00 -0.26 0.00 0.00 58.87 56.06 1bk8 n SER 11 Cb 0.52 -1.30 0.00 0.00 -0.26 0.00 0.00 64.21 63.17 1bk8 n SER 11 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1bk8 n GLY 12 N 3.83 1.60 3.74 5.00 0.00 -1.26 -4.68 105.19 113.42 1bk8 n GLY 12 Ca 0.57 0.28 -0.33 0.00 0.00 0.00 0.00 46.02 46.54 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 5.43 0.20 1.61 2.47 -1.26 -4.62 114.94 114.76 1bk8 s ASN 13 Ca 0.00 0.07 0.08 0.00 0.42 0.00 0.00 52.86 53.44 1bk8 s ASN 13 Cb 0.00 -1.50 -0.04 0.00 -1.45 0.00 0.00 41.25 38.26 1bk8 s ASN 13 CO 0.00 0.27 -0.03 0.00 -3.72 0.00 0.00 177.10 173.62 1bk8 n GLY 15 N -0.25 -0.12 3.42 0.00 0.00 -1.26 -4.65 105.19 102.33 1bk8 n GLY 15 Ca -0.09 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.56 1bk8 n GLY 15 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1bk8 n ASN 16 N -3.10 3.70 -0.02 1.61 2.85 -1.26 -4.75 115.26 114.30 1bk8 n ASN 16 Ca 0.00 -2.78 0.13 0.00 -0.11 0.00 0.00 54.58 51.82 1bk8 n ASN 16 Cb 0.09 -1.64 0.56 0.00 1.24 0.00 0.00 39.78 40.03 1bk8 n ASN 16 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 1bk8 h THR 17 N 5.48 0.87 0.00 -0.44 1.03 -1.96 0.83 112.91 118.72 1bk8 h THR 17 Ca 0.36 -0.09 -0.01 0.00 -0.01 0.00 0.00 66.41 66.66 1bk8 h THR 17 Cb 0.84 0.59 -0.00 0.00 -1.07 0.00 0.00 68.15 68.52 1bk8 h THR 17 CO 1.49 0.05 -0.05 0.00 -0.01 0.00 0.00 175.52 176.99 1bk8 h ALA 18 N 1.75 1.07 0.00 0.00 0.00 -1.98 -1.19 119.26 118.91 1bk8 h ALA 18 Ca 0.23 -0.05 -0.00 0.00 0.00 0.00 0.00 54.91 55.09 1bk8 h ALA 18 Cb 0.57 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.36 1bk8 h ALA 18 CO -0.05 0.07 -0.01 1.25 0.00 0.00 0.00 179.25 180.51 1bk8 h HIS 19 N 0.00 0.00 -0.96 0.00 6.17 -1.30 -3.38 115.15 115.69 1bk8 h HIS 19 Ca -0.00 0.00 0.23 0.00 0.71 0.00 0.00 60.37 61.31 1bk8 h HIS 19 Cb 0.37 0.00 -0.18 0.00 2.52 0.00 0.00 27.41 30.12 1bk8 h HIS 19 CO 0.00 0.73 -0.09 0.00 0.71 0.00 0.00 177.93 179.29 1bk8 h ASP 21 N 0.01 0.80 -0.08 0.00 3.58 -1.39 -1.37 116.42 117.98 1bk8 h ASP 21 Ca 0.53 -0.15 -0.00 0.00 0.42 0.00 0.00 57.03 57.82 1bk8 h ASP 21 Cb 0.97 -0.21 -0.00 0.00 1.72 0.00 0.00 39.33 41.81 1bk8 h ASP 21 CO -0.93 0.73 0.04 0.11 -2.88 0.00 0.00 179.24 176.31 1bk8 h LYS 22 N 0.82 0.11 -0.32 0.28 1.57 -0.66 -3.23 116.57 115.14 1bk8 h LYS 22 Ca 0.20 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.97 1bk8 h LYS 22 Cb 0.17 -0.02 -0.02 0.00 0.08 0.00 0.00 32.23 32.44 1bk8 h LYS 22 CO -0.02 0.17 0.21 0.37 -0.57 0.00 0.00 179.45 179.61 1bk8 h GLN 23 N 0.02 0.41 -0.61 3.15 5.75 0.10 0.44 115.11 124.37 1bk8 h GLN 23 Ca 0.03 -0.02 0.13 0.00 -0.15 0.00 0.00 58.65 58.63 1bk8 h GLN 23 Cb 0.10 -0.09 -0.03 0.00 1.07 0.00 0.00 27.48 28.52 1bk8 h GLN 23 CO -0.00 0.27 0.42 0.00 -2.65 0.00 0.00 178.83 176.86 1bk8 h GLN 25 N 0.25 0.20 0.34 0.00 4.20 -0.71 -2.62 115.11 116.77 1bk8 h GLN 25 Ca 0.29 -0.34 -0.02 0.00 0.06 0.00 0.00 58.65 58.64 1bk8 h GLN 25 Cb 0.80 0.13 0.00 0.00 0.30 0.00 0.00 27.48 28.71 1bk8 h GLN 25 CO -0.06 1.01 -0.16 -0.44 -0.67 0.00 0.00 178.83 178.51 1bk8 h ASP 26 N 0.05 -0.39 0.00 1.46 3.32 0.13 -3.40 116.42 117.59 1bk8 h ASP 26 Ca -0.36 -0.15 0.00 0.00 0.02 0.00 0.00 57.03 56.55 1bk8 h ASP 26 Cb 2.03 0.10 0.00 0.00 0.22 0.00 0.00 39.33 41.68 1bk8 h ASP 26 CO 0.10 0.06 0.00 0.79 -1.72 0.00 0.00 179.24 178.47 1bk8 n TRP 27 N -5.10 0.00 -0.30 4.55 7.02 -0.08 -4.93 117.44 118.60 1bk8 n TRP 27 Ca -0.08 0.00 0.00 0.00 -1.02 0.00 0.00 57.50 56.40 1bk8 n TRP 27 Cb 0.26 -0.37 0.00 0.00 -2.42 0.00 0.00 31.31 28.78 1bk8 n TRP 27 CO 0.00 0.00 0.00 0.39 -2.02 0.00 0.00 177.69 176.06 1bk8 n GLU 28 N -1.72 0.31 -2.71 -0.99 -0.58 -1.19 -5.04 120.64 108.72 1bk8 n GLU 28 Ca 0.00 0.00 -0.08 0.00 -0.42 0.00 0.00 57.16 56.66 1bk8 n GLU 28 Cb 0.00 0.00 0.10 0.00 -0.57 0.00 0.00 31.44 30.97 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 -0.56 1.09 -1.23 3.49 4.01 -0.99 -4.15 118.16 119.82 1bk8 n LYS 29 Ca 0.00 -1.82 -0.30 0.00 -0.51 0.00 0.00 58.31 55.68 1bk8 n LYS 29 Cb 0.00 -0.44 0.12 0.00 -0.51 0.00 0.00 35.03 34.20 1bk8 n LYS 29 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 1bk8 s ALA 30 N 0.22 1.81 0.21 7.82 0.00 -1.23 -4.95 121.76 125.63 1bk8 s ALA 30 Ca 0.22 0.05 -0.09 0.00 0.00 0.00 0.00 51.96 52.13 1bk8 s ALA 30 Cb 0.35 -3.22 0.25 0.00 0.00 0.00 0.00 23.12 20.49 1bk8 s ALA 30 CO -0.07 -2.14 1.79 0.77 0.00 0.00 0.00 175.76 176.11 1bk8 h SER 31 N -1.39 0.48 -1.95 0.00 0.02 0.13 -3.41 113.55 107.43 1bk8 h SER 31 Ca -0.47 0.04 0.04 0.00 -0.84 0.00 0.00 61.79 60.55 1bk8 h SER 31 Cb 1.26 -0.05 -0.01 0.00 0.14 0.00 0.00 62.40 63.75 1bk8 h SER 31 CO 0.53 0.31 0.25 0.00 -1.14 0.00 0.00 176.83 176.78 1bk8 n HIS 32 N -4.83 -1.43 -4.25 3.45 1.44 -1.18 -4.91 115.22 103.52 1bk8 n HIS 32 Ca 0.08 -0.92 -0.14 0.00 -2.01 0.00 0.00 57.72 54.73 1bk8 n HIS 32 Cb 0.19 0.46 -0.10 0.00 0.12 0.00 0.00 29.99 30.66 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 -2.50 1.31 -0.29 -1.39 0.00 -1.22 -0.69 107.32 102.55 1bk8 s GLY 33 Ca 0.11 -1.64 -0.22 0.00 0.00 0.00 0.00 44.72 42.98 1bk8 s GLY 33 CO 0.05 -1.52 1.09 0.00 0.00 0.00 0.00 173.10 172.72 1bk8 s ALA 34 N -3.74 -2.15 0.31 3.20 0.00 0.28 -4.01 121.76 115.66 1bk8 s ALA 34 Ca 0.27 1.96 -0.20 0.00 0.00 0.00 0.00 51.96 54.00 1bk8 s ALA 34 Cb 0.07 -1.61 -0.09 0.00 0.00 0.00 0.00 23.12 21.49 1bk8 s ALA 34 CO 0.06 -0.25 0.81 0.00 0.00 0.00 0.00 175.76 176.37 1bk8 s HIS 36 N -1.80 -0.02 -0.17 0.00 3.76 0.24 -4.89 115.29 112.42 1bk8 s HIS 36 Ca 0.51 0.04 -0.26 0.00 -0.15 0.00 0.00 55.06 55.21 1bk8 s HIS 36 Cb -0.14 -0.02 -0.01 0.00 1.11 0.00 0.00 32.58 33.52 1bk8 s HIS 36 CO 0.19 -0.18 0.85 0.21 -0.85 0.00 0.00 174.74 174.96 1bk8 s LYS 37 N -0.74 4.30 -0.05 1.40 2.20 -1.26 -0.50 119.74 125.09 1bk8 s LYS 37 Ca -0.08 1.05 -0.02 0.00 -0.36 0.00 0.00 55.97 56.56 1bk8 s LYS 37 Cb -0.05 -3.57 0.04 0.00 -1.51 0.00 0.00 37.83 32.73 1bk8 s LYS 37 CO 0.01 -0.34 0.09 0.50 -0.36 0.00 0.00 175.35 175.25 1bk8 s ARG 38 N 2.18 -0.00 -1.42 4.03 6.06 0.18 -4.81 118.95 125.17 1bk8 s ARG 38 Ca 0.39 0.37 -0.01 0.00 -2.50 0.00 0.00 55.73 53.98 1bk8 s ARG 38 Cb -0.17 -0.31 0.01 0.00 0.06 0.00 0.00 34.95 34.54 1bk8 s ARG 38 CO 0.12 -0.24 0.43 0.39 -2.50 0.00 0.00 175.30 173.50 1bk8 n GLU 39 N 4.75 -3.31 -0.24 5.12 -0.58 -1.26 -0.46 120.64 124.66 1bk8 n GLU 39 Ca -0.16 0.40 0.00 0.00 -0.42 0.00 0.00 57.16 56.99 1bk8 n GLU 39 Cb 0.50 -4.56 0.00 0.00 -0.57 0.00 0.00 31.44 26.82 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 -2.97 0.00 -4.53 1.62 5.15 -1.26 -4.95 115.26 108.31 1bk8 n ASN 40 Ca -0.29 0.00 -0.39 0.00 -0.60 0.00 0.00 54.58 53.29 1bk8 n ASN 40 Cb 0.68 -1.43 -0.11 0.00 -0.53 0.00 0.00 39.78 38.39 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 -1.59 3.22 -0.51 1.20 3.76 0.39 -4.98 115.29 116.79 1bk8 s HIS 41 Ca 0.00 -0.16 -0.27 0.00 -0.15 0.00 0.00 55.06 54.48 1bk8 s HIS 41 Cb 0.00 -2.44 -0.04 0.00 1.11 0.00 0.00 32.58 31.22 1bk8 s HIS 41 CO 0.00 -0.32 2.04 -1.58 -0.85 0.00 0.00 174.74 174.03 1bk8 s TRP 42 N 1.72 1.48 0.02 1.40 0.52 -1.26 -0.64 118.94 122.17 1bk8 s TRP 42 Ca 0.06 0.99 -0.12 0.00 0.02 0.00 0.00 56.10 57.04 1bk8 s TRP 42 Cb -0.17 -3.93 -0.06 0.00 -1.15 0.00 0.00 33.47 28.16 1bk8 s TRP 42 CO 0.10 -2.59 0.38 0.15 0.02 0.00 0.00 176.95 175.02 1bk8 s LYS 43 N 7.15 3.82 -0.70 4.98 -0.14 0.35 0.32 119.74 135.51 1bk8 s LYS 43 Ca 0.80 0.29 -0.27 0.00 -1.36 0.00 0.00 55.97 55.43 1bk8 s LYS 43 Cb -0.17 -3.14 0.02 0.00 -1.68 0.00 0.00 37.83 32.86 1bk8 s LYS 43 CO 0.25 0.66 1.35 0.00 -0.76 0.00 0.00 175.35 176.85 1bk8 s PHE 45 N 6.10 3.74 -0.02 0.00 0.40 -0.20 -2.06 117.98 125.94 1bk8 s PHE 45 Ca 0.41 1.51 0.05 0.00 -0.60 0.00 0.00 56.93 58.30 1bk8 s PHE 45 Cb -0.09 -2.70 -0.03 0.00 0.51 0.00 0.00 43.02 40.72 1bk8 s PHE 45 CO 0.17 0.38 -0.17 0.00 0.70 0.00 0.00 175.22 176.30 1bk8 s TYR 47 N -0.77 3.52 0.00 0.00 1.51 0.14 -0.13 117.35 121.62 1bk8 s TYR 47 Ca 0.12 -2.27 0.00 0.00 -1.01 0.00 0.00 57.07 53.92 1bk8 s TYR 47 Cb -0.10 -2.97 0.00 0.00 -0.11 0.00 0.00 41.96 38.77 1bk8 s TYR 47 CO 0.02 -0.93 0.00 1.19 -1.11 0.00 0.00 175.55 174.72 1bk8 n PHE 48 N 4.61 0.00 -1.36 2.71 3.01 -0.35 -0.10 117.46 125.98 1bk8 n PHE 48 Ca -0.05 0.00 -0.23 0.00 1.01 0.00 0.00 57.45 58.18 1bk8 n PHE 48 Cb 0.42 0.00 -0.07 0.00 -0.01 0.00 0.00 39.48 39.82 1bk8 n PHE 48 CO 0.00 0.00 0.00 0.27 1.01 0.00 0.00 176.76 178.04 1bk8 n ASN 49 N 0.00 6.23 0.00 4.37 0.23 -1.20 -0.95 115.26 123.94 1bk8 n ASN 49 Ca 0.00 -3.05 0.14 0.00 -0.53 0.00 0.00 54.58 51.13 1bk8 n ASN 49 Cb 0.00 -1.26 0.82 0.00 -2.08 0.00 0.00 39.78 37.26 1bk8 n ASN 49 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33