#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1bk8 n ASN 3 N 18.74 0.18 -3.74 0.00 0.23 -0.44 -4.79 115.26 125.43 1bk8 n ASN 3 Ca 0.42 -1.45 -0.26 0.00 -0.53 0.00 0.00 54.58 52.76 1bk8 n ASN 3 Cb 0.46 -0.09 0.00 0.00 -2.08 0.00 0.00 39.78 38.08 1bk8 n ASN 3 CO 0.00 0.00 0.00 1.21 -0.93 0.00 0.00 177.26 177.54 1bk8 n GLU 4 N -0.34 -1.59 -4.07 -3.83 0.00 -1.25 -4.90 120.64 104.66 1bk8 n GLU 4 Ca 0.00 0.85 -0.34 0.00 0.00 0.00 0.00 57.16 57.67 1bk8 n GLU 4 Cb 0.05 -2.32 -0.07 0.00 0.00 0.00 0.00 31.44 29.09 1bk8 n GLU 4 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.13 177.63 1bk8 s ARG 5 N -4.61 3.20 0.61 5.31 6.06 0.75 -4.95 118.95 125.32 1bk8 s ARG 5 Ca 0.05 -0.35 -0.10 0.00 -2.50 0.00 0.00 55.73 52.82 1bk8 s ARG 5 Cb -0.01 -2.97 0.14 0.00 0.06 0.00 0.00 34.95 32.18 1bk8 s ARG 5 CO 0.89 0.70 0.79 -0.35 -2.50 0.00 0.00 175.30 174.83 1bk8 n PRO 6 N 1.56 -0.94 -1.47 5.12 -0.04 -1.26 -0.46 135.00 137.51 1bk8 n PRO 6 Ca -0.16 -1.22 -0.48 0.00 -0.04 0.00 0.00 63.50 61.60 1bk8 n PRO 6 Cb 0.53 -0.84 -0.07 0.00 -0.04 0.00 0.00 33.50 33.08 1bk8 n PRO 6 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 1bk8 n SER 7 N -3.58 2.08 -0.06 3.54 3.41 -0.62 -4.35 113.62 114.04 1bk8 n SER 7 Ca 0.10 0.29 -0.07 0.00 -0.26 0.00 0.00 58.87 58.94 1bk8 n SER 7 Cb 0.35 -1.29 -0.02 0.00 -0.26 0.00 0.00 64.21 62.99 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 8.33 0.39 0.04 4.33 6.02 -1.26 -4.60 117.38 130.63 1bk8 n GLN 8 Ca 0.42 0.15 -0.10 0.00 -0.01 0.00 0.00 57.00 57.46 1bk8 n GLN 8 Cb 0.26 -1.17 -0.08 0.00 1.02 0.00 0.00 30.24 30.27 1bk8 n GLN 8 CO 0.00 0.00 0.00 1.79 -1.01 0.00 0.00 177.06 177.84 1bk8 h THR 9 N -0.73 0.87 0.00 5.09 1.35 -1.96 -3.31 112.91 114.22 1bk8 h THR 9 Ca 0.00 -1.20 -0.39 0.00 -0.55 0.00 0.00 66.41 64.27 1bk8 h THR 9 Cb 0.73 1.48 0.01 0.00 -1.73 0.00 0.00 68.15 68.64 1bk8 h THR 9 CO 0.00 0.23 2.51 1.87 -0.25 0.00 0.00 175.52 179.88 1bk8 n TRP 10 N -4.90 1.37 -1.57 4.73 -0.00 -1.26 -4.81 117.44 111.00 1bk8 n TRP 10 Ca -0.07 -2.02 -0.42 0.00 -0.00 0.00 0.00 57.50 54.98 1bk8 n TRP 10 Cb 0.26 -1.74 -0.02 0.00 -0.00 0.00 0.00 31.31 29.81 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 3.94 3.43 0.00 5.87 7.64 -1.25 -4.69 113.62 128.55 1bk8 n SER 11 Ca 0.48 -2.78 0.00 0.00 1.01 0.00 0.00 58.87 57.57 1bk8 n SER 11 Cb 0.20 -1.47 0.00 0.00 -1.01 0.00 0.00 64.21 61.92 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 4.35 2.41 3.87 0.23 0.00 -1.26 -5.12 105.19 109.67 1bk8 n GLY 12 Ca 0.51 -0.52 -0.32 0.00 0.00 0.00 0.00 46.02 45.68 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 2.00 6.63 0.63 1.61 2.47 -1.26 -4.71 114.94 122.30 1bk8 s ASN 13 Ca 0.00 0.88 -0.18 0.00 0.42 0.00 0.00 52.86 53.99 1bk8 s ASN 13 Cb 0.00 -2.21 -0.04 0.00 -1.45 0.00 0.00 41.25 37.55 1bk8 s ASN 13 CO 0.00 -0.03 0.95 0.00 -3.72 0.00 0.00 177.10 174.30 1bk8 n GLY 15 N 1.28 -0.11 3.28 0.00 0.00 -1.26 -5.00 105.19 103.38 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 -5.67 -0.47 0.40 1.61 3.84 -1.26 -5.03 114.94 108.35 1bk8 s ASN 16 Ca -0.08 0.93 0.09 0.00 0.21 0.00 0.00 52.86 54.01 1bk8 s ASN 16 Cb 0.03 0.90 0.87 0.00 -0.55 0.00 0.00 41.25 42.50 1bk8 s ASN 16 CO 0.11 -0.20 1.97 0.00 -2.79 0.00 0.00 177.10 176.19 1bk8 h THR 17 N 5.66 0.97 0.00 -5.21 1.03 -1.97 0.12 112.91 113.51 1bk8 h THR 17 Ca -0.32 -0.20 0.00 0.00 -0.01 0.00 0.00 66.41 65.87 1bk8 h THR 17 Cb 1.17 0.32 0.00 0.00 -1.07 0.00 0.00 68.15 68.57 1bk8 h THR 17 CO 0.26 0.11 0.00 0.00 -0.01 0.00 0.00 175.52 175.87 1bk8 h ALA 18 N 1.66 1.00 0.05 0.00 0.00 -1.96 -1.12 119.26 118.89 1bk8 h ALA 18 Ca 0.29 0.00 -0.30 0.00 0.00 0.00 0.00 54.91 54.90 1bk8 h ALA 18 Cb 0.37 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.13 1bk8 h ALA 18 CO -0.09 0.00 -1.62 1.58 0.00 0.00 0.00 179.25 179.12 1bk8 n HIS 19 N -3.04 1.03 -0.30 0.00 -0.00 0.22 -4.22 115.22 108.91 1bk8 n HIS 19 Ca -0.02 0.35 0.03 0.00 -0.00 0.00 0.00 57.72 58.08 1bk8 n HIS 19 Cb 0.15 -1.12 0.10 0.00 -0.00 0.00 0.00 29.99 29.12 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 -0.01 0.74 0.11 0.00 3.58 -1.41 -0.60 116.42 118.82 1bk8 h ASP 21 Ca 0.40 -0.14 0.01 0.00 0.42 0.00 0.00 57.03 57.72 1bk8 h ASP 21 Cb 0.62 -0.19 -0.02 0.00 1.72 0.00 0.00 39.33 41.45 1bk8 h ASP 21 CO -0.87 0.68 -0.17 0.11 -2.88 0.00 0.00 179.24 176.10 1bk8 h LYS 22 N 0.75 -0.33 -0.14 0.28 1.57 -1.04 -0.80 116.57 116.86 1bk8 h LYS 22 Ca 0.19 0.02 0.05 0.00 -1.87 0.00 0.00 60.65 59.04 1bk8 h LYS 22 Cb 0.15 0.08 -0.06 0.00 0.08 0.00 0.00 32.23 32.47 1bk8 h LYS 22 CO -0.02 -0.22 -0.24 1.96 -0.57 0.00 0.00 179.45 180.36 1bk8 h GLN 23 N -0.34 -0.28 -0.82 3.15 4.20 -0.56 0.32 115.11 120.77 1bk8 h GLN 23 Ca 0.02 0.02 0.07 0.00 0.06 0.00 0.00 58.65 58.82 1bk8 h GLN 23 Cb 0.36 0.06 -0.05 0.00 0.30 0.00 0.00 27.48 28.15 1bk8 h GLN 23 CO -0.09 -0.19 0.53 0.00 -0.67 0.00 0.00 178.83 178.41 1bk8 h GLN 25 N 0.87 0.44 0.00 0.00 4.20 -0.61 0.28 115.11 120.29 1bk8 h GLN 25 Ca 0.36 -0.75 -0.03 0.00 0.06 0.00 0.00 58.65 58.28 1bk8 h GLN 25 Cb 0.27 0.28 -0.00 0.00 0.30 0.00 0.00 27.48 28.32 1bk8 h GLN 25 CO -0.13 1.35 -0.37 -0.44 -0.67 0.00 0.00 178.83 178.57 1bk8 h ASP 26 N 0.12 0.00 0.20 1.46 3.32 0.10 -3.35 116.42 118.28 1bk8 h ASP 26 Ca -0.25 -0.16 -0.01 0.00 0.02 0.00 0.00 57.03 56.63 1bk8 h ASP 26 Cb 2.11 0.00 0.00 0.00 0.22 0.00 0.00 39.33 41.66 1bk8 h ASP 26 CO 0.24 0.78 -0.10 -0.50 -1.72 0.00 0.00 179.24 177.94 1bk8 h TRP 27 N -1.00 -0.25 -0.00 4.55 4.06 -0.66 -3.44 115.95 119.20 1bk8 h TRP 27 Ca -0.04 -0.01 0.00 0.00 2.06 0.00 0.00 58.89 60.90 1bk8 h TRP 27 Cb 0.47 0.08 0.00 0.00 -1.00 0.00 0.00 29.16 28.72 1bk8 h TRP 27 CO -0.05 0.07 0.00 0.39 -3.56 0.00 0.00 178.44 175.29 1bk8 n GLU 28 N -4.95 3.11 -2.70 0.49 1.02 -1.03 -5.05 120.64 111.52 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 0.22 0.00 0.11 0.00 -0.02 0.00 0.00 31.44 31.75 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 1.10 -1.90 3.49 4.76 -0.81 -4.63 118.16 120.18 1bk8 n LYS 29 Ca 0.00 -1.72 -0.31 0.00 -2.87 0.00 0.00 58.31 53.41 1bk8 n LYS 29 Cb 0.00 -0.08 0.01 0.00 -1.84 0.00 0.00 35.03 33.12 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 0.19 3.02 0.17 7.82 0.00 0.02 -4.88 121.76 128.10 1bk8 s ALA 30 Ca 0.20 -0.02 -0.14 0.00 0.00 0.00 0.00 51.96 52.00 1bk8 s ALA 30 Cb 0.37 -3.10 0.09 0.00 0.00 0.00 0.00 23.12 20.47 1bk8 s ALA 30 CO -0.08 -0.71 1.79 0.77 0.00 0.00 0.00 175.76 177.53 1bk8 h SER 31 N -0.19 0.38 -2.92 0.00 0.02 -0.59 -3.39 113.55 106.86 1bk8 h SER 31 Ca -0.44 0.01 -0.05 0.00 -0.84 0.00 0.00 61.79 60.47 1bk8 h SER 31 Cb 1.19 -0.06 0.00 0.00 0.14 0.00 0.00 62.40 63.67 1bk8 h SER 31 CO 0.61 0.27 0.22 0.00 -1.14 0.00 0.00 176.83 176.80 1bk8 n HIS 32 N -4.87 -2.20 -4.42 3.45 1.44 -1.07 -4.92 115.22 102.64 1bk8 n HIS 32 Ca 0.03 -1.76 -0.20 0.00 -2.01 0.00 0.00 57.72 53.77 1bk8 n HIS 32 Cb 0.09 0.83 -0.11 0.00 0.12 0.00 0.00 29.99 30.93 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 -2.93 1.98 -0.29 -1.39 0.00 -1.26 -0.67 107.32 102.76 1bk8 s GLY 33 Ca 0.16 -2.00 -0.22 0.00 0.00 0.00 0.00 44.72 42.65 1bk8 s GLY 33 CO 0.12 -1.76 1.08 0.00 0.00 0.00 0.00 173.10 172.53 1bk8 s ALA 34 N -3.39 -2.12 0.34 3.20 0.00 0.36 -4.27 121.76 115.88 1bk8 s ALA 34 Ca 0.36 1.95 -0.22 0.00 0.00 0.00 0.00 51.96 54.05 1bk8 s ALA 34 Cb 0.08 -1.59 -0.10 0.00 0.00 0.00 0.00 23.12 21.51 1bk8 s ALA 34 CO 0.15 -0.25 0.89 0.00 0.00 0.00 0.00 175.76 176.55 1bk8 s HIS 36 N -1.82 0.03 0.10 0.00 3.76 0.11 -4.90 115.29 112.57 1bk8 s HIS 36 Ca 0.53 -0.37 -0.26 0.00 -0.15 0.00 0.00 55.06 54.81 1bk8 s HIS 36 Cb -0.14 0.03 -0.06 0.00 1.11 0.00 0.00 32.58 33.51 1bk8 s HIS 36 CO 0.19 -0.56 0.81 0.21 -0.85 0.00 0.00 174.74 174.54 1bk8 s LYS 37 N -3.52 4.56 -0.06 1.40 2.20 -1.26 -0.13 119.74 122.94 1bk8 s LYS 37 Ca 0.02 1.17 -0.02 0.00 -0.36 0.00 0.00 55.97 56.78 1bk8 s LYS 37 Cb 0.03 -3.33 0.04 0.00 -1.51 0.00 0.00 37.83 33.06 1bk8 s LYS 37 CO -0.09 0.37 0.12 1.03 -0.36 0.00 0.00 175.35 176.42 1bk8 s ARG 38 N -0.44 0.05 -1.56 4.03 1.81 0.23 -4.89 118.95 118.18 1bk8 s ARG 38 Ca 0.39 0.36 -0.08 0.00 -1.72 0.00 0.00 55.73 54.68 1bk8 s ARG 38 Cb -0.22 -0.22 0.07 0.00 -0.45 0.00 0.00 34.95 34.13 1bk8 s ARG 38 CO 0.25 -0.19 0.52 0.39 -0.68 0.00 0.00 175.30 175.59 1bk8 n GLU 39 N 4.40 -2.87 0.00 3.54 -0.58 -1.26 -0.21 120.64 123.66 1bk8 n GLU 39 Ca -0.23 0.34 0.00 0.00 -0.42 0.00 0.00 57.16 56.85 1bk8 n GLU 39 Cb 0.51 -4.64 0.00 0.00 -0.57 0.00 0.00 31.44 26.74 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 -2.83 0.00 -4.64 1.62 5.15 -1.26 -4.97 115.26 108.33 1bk8 n ASN 40 Ca -0.15 0.00 -0.40 0.00 -0.60 0.00 0.00 54.58 53.43 1bk8 n ASN 40 Cb 0.60 -0.58 -0.06 0.00 -0.53 0.00 0.00 39.78 39.21 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 -1.45 3.33 -0.37 1.20 3.76 0.71 -5.00 115.29 117.47 1bk8 s HIS 41 Ca 0.00 0.82 -0.29 0.00 -0.15 0.00 0.00 55.06 55.44 1bk8 s HIS 41 Cb 0.00 -2.77 0.01 0.00 1.11 0.00 0.00 32.58 30.93 1bk8 s HIS 41 CO 0.00 -0.22 1.32 -1.58 -0.85 0.00 0.00 174.74 173.41 1bk8 s TRP 42 N 2.09 2.59 -0.11 1.40 0.52 -1.26 -0.60 118.94 123.57 1bk8 s TRP 42 Ca 0.26 0.77 -0.03 0.00 0.02 0.00 0.00 56.10 57.12 1bk8 s TRP 42 Cb -0.16 -4.14 -0.03 0.00 -1.15 0.00 0.00 33.47 27.99 1bk8 s TRP 42 CO 0.09 -1.75 0.02 0.15 0.02 0.00 0.00 176.95 175.49 1bk8 s LYS 43 N 4.52 3.22 -0.12 4.98 -0.14 0.81 0.09 119.74 133.10 1bk8 s LYS 43 Ca 0.57 -0.38 -0.29 0.00 -1.36 0.00 0.00 55.97 54.51 1bk8 s LYS 43 Cb -0.14 -2.90 -0.04 0.00 -1.68 0.00 0.00 37.83 33.07 1bk8 s LYS 43 CO 0.28 0.62 1.61 0.00 -0.76 0.00 0.00 175.35 177.10 1bk8 s PHE 45 N 4.43 3.31 0.30 0.00 0.40 -0.21 -1.60 117.98 124.61 1bk8 s PHE 45 Ca 0.71 0.14 0.09 0.00 -0.60 0.00 0.00 56.93 57.28 1bk8 s PHE 45 Cb -0.29 -1.67 -0.04 0.00 0.51 0.00 0.00 43.02 41.52 1bk8 s PHE 45 CO 0.28 0.55 0.05 0.00 0.70 0.00 0.00 175.22 176.79 1bk8 s TYR 47 N -2.39 0.11 0.57 0.00 1.51 0.15 -0.18 117.35 117.13 1bk8 s TYR 47 Ca 0.34 -0.51 0.07 0.00 -1.01 0.00 0.00 57.07 55.96 1bk8 s TYR 47 Cb -0.04 -0.72 0.10 0.00 -0.11 0.00 0.00 41.96 41.19 1bk8 s TYR 47 CO 0.21 -0.73 0.79 1.19 -1.11 0.00 0.00 175.55 175.90 1bk8 n PHE 48 N 5.27 -2.51 -2.70 2.71 3.01 -1.26 0.16 117.46 122.14 1bk8 n PHE 48 Ca -0.06 -1.88 -0.12 0.00 1.01 0.00 0.00 57.45 56.40 1bk8 n PHE 48 Cb 0.45 -0.55 -0.01 0.00 -0.01 0.00 0.00 39.48 39.36 1bk8 n PHE 48 CO 0.00 0.00 0.00 0.09 1.01 0.00 0.00 176.76 177.86 1bk8 n ASN 49 N -2.52 -3.12 0.00 4.37 3.02 -1.26 -1.33 115.26 114.43 1bk8 n ASN 49 Ca 0.15 0.11 0.15 0.00 -0.03 0.00 0.00 54.58 54.96 1bk8 n ASN 49 Cb 0.55 -2.67 0.91 0.00 -0.61 0.00 0.00 39.78 37.97 1bk8 n ASN 49 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64