#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 12.10 0.23 -3.31 0.00 4.13 -1.26 -4.71 115.26 122.43 1bk8 n ASN 3 Ca 0.46 -1.37 -0.16 0.00 1.68 0.00 0.00 54.58 55.18 1bk8 n ASN 3 Cb 0.46 -0.11 0.02 0.00 -1.54 0.00 0.00 39.78 38.61 1bk8 n ASN 3 CO 0.00 0.00 0.00 1.21 0.28 0.00 0.00 177.26 178.75 1bk8 n GLU 4 N -0.28 -1.01 -4.10 3.52 2.13 -1.22 -4.86 120.64 114.81 1bk8 n GLU 4 Ca 0.00 1.08 -0.29 0.00 0.66 0.00 0.00 57.16 58.61 1bk8 n GLU 4 Cb 0.06 -1.51 -0.07 0.00 0.27 0.00 0.00 31.44 30.19 1bk8 n GLU 4 CO 0.00 0.00 0.00 0.50 -0.41 0.00 0.00 177.13 177.22 1bk8 s ARG 5 N -1.62 2.72 1.00 5.31 6.06 0.60 -4.94 118.95 128.08 1bk8 s ARG 5 Ca 0.16 -0.83 -0.17 0.00 -2.50 0.00 0.00 55.73 52.39 1bk8 s ARG 5 Cb -0.02 -2.60 0.23 0.00 0.06 0.00 0.00 34.95 32.62 1bk8 s ARG 5 CO 0.38 0.52 1.32 -0.35 -2.50 0.00 0.00 175.30 174.67 1bk8 n PRO 6 N 0.23 -1.45 -1.98 5.12 -0.04 -1.26 -0.49 135.00 135.13 1bk8 n PRO 6 Ca -0.09 -2.04 -0.40 0.00 -0.04 0.00 0.00 63.50 60.93 1bk8 n PRO 6 Cb 0.53 -1.39 -0.03 0.00 -0.04 0.00 0.00 33.50 32.56 1bk8 n PRO 6 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 1bk8 s SER 7 N -5.77 5.45 -0.15 3.54 1.04 -0.89 -4.38 113.70 112.55 1bk8 s SER 7 Ca 0.75 0.80 -0.08 0.00 0.48 0.00 0.00 55.95 57.91 1bk8 s SER 7 Cb -0.02 -2.53 -0.06 0.00 0.10 0.00 0.00 66.02 63.51 1bk8 s SER 7 CO 0.53 -2.15 -0.20 0.00 0.98 0.00 0.00 173.24 172.41 1bk8 n GLN 8 N 8.85 0.32 0.01 4.02 6.02 -1.26 -4.66 117.38 130.68 1bk8 n GLN 8 Ca 0.23 0.14 -0.12 0.00 -0.01 0.00 0.00 57.00 57.24 1bk8 n GLN 8 Cb 0.50 -1.04 -0.09 0.00 1.02 0.00 0.00 30.24 30.63 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 -0.54 1.15 0.00 5.09 1.35 -1.94 -3.27 112.91 114.76 1bk8 h THR 9 Ca -0.37 -1.37 -0.55 0.00 -0.55 0.00 0.00 66.41 63.57 1bk8 h THR 9 Cb 1.30 1.97 0.05 0.00 -1.73 0.00 0.00 68.15 69.73 1bk8 h THR 9 CO -0.22 0.31 2.24 1.87 -0.25 0.00 0.00 175.52 179.47 1bk8 n TRP 10 N -4.84 1.51 -1.72 4.73 -0.00 -1.26 -4.84 117.44 111.03 1bk8 n TRP 10 Ca -0.08 -1.68 -0.40 0.00 -0.00 0.00 0.00 57.50 55.33 1bk8 n TRP 10 Cb 0.30 -1.57 -0.03 0.00 -0.00 0.00 0.00 31.31 30.00 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 6.68 3.42 0.00 5.87 7.64 -1.23 -4.73 113.62 131.26 1bk8 n SER 11 Ca 0.46 -2.77 0.00 0.00 1.01 0.00 0.00 58.87 57.57 1bk8 n SER 11 Cb 0.32 -1.49 0.00 0.00 -1.01 0.00 0.00 64.21 62.03 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 4.76 1.11 3.87 0.23 0.00 -1.26 -5.13 105.19 108.76 1bk8 n GLY 12 Ca 0.49 -0.59 -0.32 0.00 0.00 0.00 0.00 46.02 45.61 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 6.64 0.68 1.61 2.47 -1.26 -4.74 114.94 122.33 1bk8 s ASN 13 Ca 0.00 0.97 -0.17 0.00 0.42 0.00 0.00 52.86 54.08 1bk8 s ASN 13 Cb 0.00 -2.25 -0.02 0.00 -1.45 0.00 0.00 41.25 37.54 1bk8 s ASN 13 CO 0.00 -0.10 0.93 0.00 -3.72 0.00 0.00 177.10 174.21 1bk8 n GLY 15 N 1.23 -0.04 2.95 0.00 0.00 -1.26 -4.96 105.19 103.10 1bk8 n GLY 15 Ca 0.13 -0.01 -0.14 0.00 0.00 0.00 0.00 46.02 46.00 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 -5.56 0.13 0.50 1.61 3.84 -1.26 -5.04 114.94 109.16 1bk8 s ASN 16 Ca -0.01 0.41 0.14 0.00 0.21 0.00 0.00 52.86 53.61 1bk8 s ASN 16 Cb 0.00 0.34 1.19 0.00 -0.55 0.00 0.00 41.25 42.24 1bk8 s ASN 16 CO 0.02 -0.19 2.13 0.00 -2.79 0.00 0.00 177.10 176.27 1bk8 h THR 17 N 6.13 1.02 0.00 -5.21 1.03 -1.97 0.14 112.91 114.04 1bk8 h THR 17 Ca -0.31 -0.04 -0.00 0.00 -0.01 0.00 0.00 66.41 66.05 1bk8 h THR 17 Cb 1.13 0.90 -0.00 0.00 -1.07 0.00 0.00 68.15 69.11 1bk8 h THR 17 CO 0.30 0.02 -0.02 0.00 -0.01 0.00 0.00 175.52 175.81 1bk8 h ALA 18 N 1.95 1.04 0.07 0.00 0.00 -1.96 -0.41 119.26 119.94 1bk8 h ALA 18 Ca 0.03 -0.02 -0.27 0.00 0.00 0.00 0.00 54.91 54.65 1bk8 h ALA 18 Cb 0.01 -0.00 -0.02 0.00 0.00 0.00 0.00 17.79 17.77 1bk8 h ALA 18 CO -0.01 0.02 -1.45 1.25 0.00 0.00 0.00 179.25 179.07 1bk8 h HIS 19 N 0.00 0.26 -0.93 0.00 6.17 -1.24 -3.36 115.15 116.06 1bk8 h HIS 19 Ca -0.00 -0.19 0.26 0.00 0.71 0.00 0.00 60.37 61.15 1bk8 h HIS 19 Cb 0.30 -0.01 -0.16 0.00 2.52 0.00 0.00 27.41 30.06 1bk8 h HIS 19 CO 0.00 1.57 0.14 0.00 0.71 0.00 0.00 177.93 180.34 1bk8 h ASP 21 N 0.08 1.01 -0.07 0.00 3.58 -1.26 0.80 116.42 120.55 1bk8 h ASP 21 Ca 0.59 -0.11 -0.16 0.00 0.42 0.00 0.00 57.03 57.77 1bk8 h ASP 21 Cb 1.23 -0.26 0.01 0.00 1.72 0.00 0.00 39.33 42.04 1bk8 h ASP 21 CO -0.80 0.83 -0.57 0.11 -2.88 0.00 0.00 179.24 175.93 1bk8 h LYS 22 N 1.11 0.52 -0.53 0.28 1.57 -0.68 -1.19 116.57 117.65 1bk8 h LYS 22 Ca 0.28 -0.46 0.04 0.00 -1.87 0.00 0.00 60.65 58.65 1bk8 h LYS 22 Cb 0.06 0.11 -0.04 0.00 0.08 0.00 0.00 32.23 32.43 1bk8 h LYS 22 CO -0.04 1.09 0.27 1.96 -0.57 0.00 0.00 179.45 182.16 1bk8 h GLN 23 N 0.10 0.51 -0.94 3.15 4.20 -0.74 0.18 115.11 121.57 1bk8 h GLN 23 Ca -0.05 -0.03 0.06 0.00 0.06 0.00 0.00 58.65 58.69 1bk8 h GLN 23 Cb 1.23 -0.12 -0.06 0.00 0.30 0.00 0.00 27.48 28.83 1bk8 h GLN 23 CO 0.12 0.34 0.61 0.00 -0.67 0.00 0.00 178.83 179.23 1bk8 h GLN 25 N 1.09 0.16 0.25 0.00 4.20 -0.49 0.16 115.11 120.48 1bk8 h GLN 25 Ca 0.40 -0.12 -0.01 0.00 0.06 0.00 0.00 58.65 58.97 1bk8 h GLN 25 Cb 0.17 0.02 0.00 0.00 0.30 0.00 0.00 27.48 27.97 1bk8 h GLN 25 CO -0.15 0.78 -0.12 -0.44 -0.67 0.00 0.00 178.83 178.23 1bk8 h ASP 26 N -0.43 -0.28 0.07 1.46 3.32 -0.41 -3.36 116.42 116.79 1bk8 h ASP 26 Ca -0.01 -0.00 -0.00 0.00 0.02 0.00 0.00 57.03 57.04 1bk8 h ASP 26 Cb 0.80 0.07 0.00 0.00 0.22 0.00 0.00 39.33 40.42 1bk8 h ASP 26 CO 0.03 0.18 -0.04 -0.50 -1.72 0.00 0.00 179.24 177.19 1bk8 h TRP 27 N -1.09 -0.09 0.25 4.55 4.06 -0.50 -3.42 115.95 119.71 1bk8 h TRP 27 Ca -0.03 -0.00 -0.01 0.00 2.06 0.00 0.00 58.89 60.90 1bk8 h TRP 27 Cb 0.27 0.03 0.00 0.00 -1.00 0.00 0.00 29.16 28.46 1bk8 h TRP 27 CO 0.00 -0.06 -0.12 1.49 -3.56 0.00 0.00 178.44 176.20 1bk8 h GLU 28 N -0.61 -0.32 0.00 0.49 4.81 -1.51 -3.49 114.58 113.96 1bk8 h GLU 28 Ca -0.01 0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.24 1bk8 h GLU 28 Cb 0.08 0.07 0.00 0.00 0.63 0.00 0.00 28.75 29.53 1bk8 h GLU 28 CO 0.02 -0.21 0.00 1.63 -0.73 0.00 0.00 179.01 179.71 1bk8 n LYS 29 N -4.86 0.00 -3.85 1.92 5.02 0.33 -5.04 118.16 111.68 1bk8 n LYS 29 Ca -0.04 0.00 -0.23 0.00 -2.02 0.00 0.00 58.31 56.02 1bk8 n LYS 29 Cb 0.13 0.00 -0.05 0.00 -0.02 0.00 0.00 35.03 35.09 1bk8 n LYS 29 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1bk8 s ALA 30 N 0.00 3.87 0.16 7.82 0.00 0.17 -4.90 121.76 128.87 1bk8 s ALA 30 Ca 0.00 -1.95 -0.12 0.00 0.00 0.00 0.00 51.96 49.90 1bk8 s ALA 30 Cb 0.00 -0.69 0.04 0.00 0.00 0.00 0.00 23.12 22.46 1bk8 s ALA 30 CO 0.00 -0.21 1.63 0.77 0.00 0.00 0.00 175.76 177.95 1bk8 h SER 31 N 1.20 0.88 -2.34 0.00 0.02 -0.77 -3.37 113.55 109.17 1bk8 h SER 31 Ca -0.42 -0.28 -0.05 0.00 -0.84 0.00 0.00 61.79 60.20 1bk8 h SER 31 Cb 1.26 -0.24 -0.00 0.00 0.14 0.00 0.00 62.40 63.56 1bk8 h SER 31 CO 0.63 0.95 0.11 0.00 -1.14 0.00 0.00 176.83 177.38 1bk8 n HIS 32 N -4.33 -1.63 -4.32 3.45 1.44 -1.20 -4.87 115.22 103.75 1bk8 n HIS 32 Ca 0.02 -1.15 -0.17 0.00 -2.01 0.00 0.00 57.72 54.41 1bk8 n HIS 32 Cb 0.29 0.49 -0.10 0.00 0.12 0.00 0.00 29.99 30.80 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 -2.22 1.54 -0.28 -1.39 0.00 -1.25 -0.82 107.32 102.90 1bk8 s GLY 33 Ca 0.11 -1.76 -0.18 0.00 0.00 0.00 0.00 44.72 42.89 1bk8 s GLY 33 CO 0.08 -1.66 0.72 0.00 0.00 0.00 0.00 173.10 172.24 1bk8 s ALA 34 N -3.44 -1.88 0.34 3.20 0.00 0.43 -4.25 121.76 116.17 1bk8 s ALA 34 Ca 0.28 2.33 -0.25 0.00 0.00 0.00 0.00 51.96 54.32 1bk8 s ALA 34 Cb 0.06 -1.40 -0.10 0.00 0.00 0.00 0.00 23.12 21.68 1bk8 s ALA 34 CO 0.08 -0.37 0.97 0.00 0.00 0.00 0.00 175.76 176.45 1bk8 s HIS 36 N -1.64 -0.08 -0.19 0.00 3.76 0.06 -4.92 115.29 112.28 1bk8 s HIS 36 Ca 0.52 0.20 -0.26 0.00 -0.15 0.00 0.00 55.06 55.37 1bk8 s HIS 36 Cb -0.19 0.01 -0.01 0.00 1.11 0.00 0.00 32.58 33.50 1bk8 s HIS 36 CO 0.25 -0.14 0.86 0.21 -0.85 0.00 0.00 174.74 175.06 1bk8 s LYS 37 N -0.41 4.27 -0.03 1.40 2.20 -1.26 -0.09 119.74 125.81 1bk8 s LYS 37 Ca -0.05 1.04 -0.01 0.00 -0.36 0.00 0.00 55.97 56.59 1bk8 s LYS 37 Cb -0.03 -3.60 0.03 0.00 -1.51 0.00 0.00 37.83 32.72 1bk8 s LYS 37 CO 0.01 -0.41 0.05 0.50 -0.36 0.00 0.00 175.35 175.14 1bk8 s ARG 38 N 2.45 -0.06 -1.61 4.03 6.06 0.13 -4.79 118.95 125.16 1bk8 s ARG 38 Ca 0.38 0.31 -0.14 0.00 -2.50 0.00 0.00 55.73 53.78 1bk8 s ARG 38 Cb -0.16 -0.39 0.11 0.00 0.06 0.00 0.00 34.95 34.57 1bk8 s ARG 38 CO 0.10 -0.26 0.77 0.39 -2.50 0.00 0.00 175.30 173.80 1bk8 n GLU 39 N 4.83 -3.76 -1.58 5.12 -0.58 -1.26 -0.52 120.64 122.89 1bk8 n GLU 39 Ca -0.14 0.43 -0.20 0.00 -0.42 0.00 0.00 57.16 56.84 1bk8 n GLU 39 Cb 0.50 -5.09 -0.09 0.00 -0.57 0.00 0.00 31.44 26.19 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 -2.76 -5.41 -4.15 1.62 5.15 -1.26 -4.99 115.26 103.47 1bk8 n ASN 40 Ca -0.00 0.49 -0.33 0.00 -0.60 0.00 0.00 54.58 54.14 1bk8 n ASN 40 Cb 0.53 -4.66 -0.16 0.00 -0.53 0.00 0.00 39.78 34.96 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 -2.74 2.69 -0.48 1.20 3.76 0.32 -5.08 115.29 114.96 1bk8 s HIS 41 Ca 0.00 -1.45 -0.28 0.00 -0.15 0.00 0.00 55.06 53.18 1bk8 s HIS 41 Cb 0.00 -1.84 0.01 0.00 1.11 0.00 0.00 32.58 31.86 1bk8 s HIS 41 CO 0.00 -0.68 1.41 -1.58 -0.85 0.00 0.00 174.74 173.04 1bk8 s TRP 42 N 1.00 2.35 -0.22 1.40 0.52 -1.26 -0.69 118.94 122.04 1bk8 s TRP 42 Ca -0.02 0.60 -0.09 0.00 0.02 0.00 0.00 56.10 56.60 1bk8 s TRP 42 Cb -0.15 -4.35 -0.04 0.00 -1.15 0.00 0.00 33.47 27.78 1bk8 s TRP 42 CO -0.06 -1.96 0.11 0.15 0.02 0.00 0.00 176.95 175.21 1bk8 s LYS 43 N 5.20 4.00 -0.66 4.98 -0.14 0.87 0.24 119.74 134.23 1bk8 s LYS 43 Ca 0.57 -0.31 -0.26 0.00 -1.36 0.00 0.00 55.97 54.61 1bk8 s LYS 43 Cb -0.12 -3.39 -0.01 0.00 -1.68 0.00 0.00 37.83 32.63 1bk8 s LYS 43 CO 0.29 0.13 1.73 0.00 -0.76 0.00 0.00 175.35 176.75 1bk8 s PHE 45 N 8.34 3.47 0.14 0.00 0.40 -0.33 -2.09 117.98 127.92 1bk8 s PHE 45 Ca 0.60 0.54 0.10 0.00 -0.60 0.00 0.00 56.93 57.57 1bk8 s PHE 45 Cb -0.11 -2.00 -0.04 0.00 0.51 0.00 0.00 43.02 41.38 1bk8 s PHE 45 CO 0.18 0.39 -0.20 0.00 0.70 0.00 0.00 175.22 176.29 1bk8 s TYR 47 N -1.31 1.46 0.00 0.00 2.02 -0.00 -0.29 117.35 119.23 1bk8 s TYR 47 Ca 0.19 -1.42 0.00 0.00 -0.37 0.00 0.00 57.07 55.46 1bk8 s TYR 47 Cb -0.10 -1.45 0.00 0.00 -0.40 0.00 0.00 41.96 40.02 1bk8 s TYR 47 CO 0.10 -0.79 0.00 1.19 -1.57 0.00 0.00 175.55 174.48 1bk8 n PHE 48 N 4.92 0.00 -1.21 2.71 3.01 -1.26 -0.52 117.46 125.11 1bk8 n PHE 48 Ca -0.05 0.00 -0.20 0.00 1.01 0.00 0.00 57.45 58.21 1bk8 n PHE 48 Cb 0.44 0.00 -0.07 0.00 -0.01 0.00 0.00 39.48 39.84 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 -0.39 6.07 0.00 4.37 3.02 -1.13 -3.21 115.26 124.00 1bk8 n ASN 49 Ca 0.00 -2.94 0.15 0.00 -0.03 0.00 0.00 54.58 51.76 1bk8 n ASN 49 Cb 0.00 -1.25 0.89 0.00 -0.61 0.00 0.00 39.78 38.81 1bk8 n ASN 49 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64