#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 6.22 6.41 0.05 0.00 2.20 -1.19 -4.80 114.94 123.83 1bk8 s ASN 3 Ca 0.64 1.05 -0.23 0.00 -0.94 0.00 0.00 52.86 53.38 1bk8 s ASN 3 Cb -0.01 -2.54 -0.06 0.00 -2.00 0.00 0.00 41.25 36.65 1bk8 s ASN 3 CO 0.08 -1.33 0.69 -0.70 -2.94 0.00 0.00 177.10 172.90 1bk8 s GLU 4 N 4.74 4.42 0.04 3.55 2.12 -1.26 -1.03 118.70 131.28 1bk8 s GLU 4 Ca 0.62 0.93 -0.02 0.00 0.36 0.00 0.00 54.97 56.87 1bk8 s GLU 4 Cb -0.16 -3.33 -0.03 0.00 0.26 0.00 0.00 34.13 30.87 1bk8 s GLU 4 CO 0.30 0.38 -0.01 1.03 -0.54 0.00 0.00 175.26 176.42 1bk8 s ARG 5 N -0.34 0.56 0.14 4.30 0.52 0.46 -4.99 118.95 119.60 1bk8 s ARG 5 Ca 0.35 -1.04 -0.02 0.00 -0.52 0.00 0.00 55.73 54.50 1bk8 s ARG 5 Cb -0.20 0.20 0.03 0.00 0.52 0.00 0.00 34.95 35.50 1bk8 s ARG 5 CO 0.21 -0.11 0.18 -0.35 0.02 0.00 0.00 175.30 175.25 1bk8 n PRO 6 N 0.47 -0.33 -1.66 3.54 -0.04 -1.26 -0.54 135.00 135.18 1bk8 n PRO 6 Ca -0.17 -0.28 -0.39 0.00 -0.04 0.00 0.00 63.50 62.63 1bk8 n PRO 6 Cb 0.60 -0.19 -0.03 0.00 -0.04 0.00 0.00 33.50 33.83 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 -1.70 4.90 -0.25 3.54 1.04 0.05 -4.26 113.70 117.03 1bk8 s SER 7 Ca 0.10 1.22 -0.16 0.00 0.48 0.00 0.00 55.95 57.60 1bk8 s SER 7 Cb -0.00 -2.51 -0.12 0.00 0.10 0.00 0.00 66.02 63.48 1bk8 s SER 7 CO 0.07 -2.50 -0.23 0.00 0.98 0.00 0.00 173.24 171.56 1bk8 n GLN 8 N 8.93 0.57 -0.00 4.02 6.02 -1.26 -4.61 117.38 131.05 1bk8 n GLN 8 Ca 0.32 0.33 -0.11 0.00 -0.01 0.00 0.00 57.00 57.52 1bk8 n GLN 8 Cb 0.51 -1.54 -0.09 0.00 1.02 0.00 0.00 30.24 30.14 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 -1.00 1.18 -3.96 5.09 1.35 -1.85 -3.48 112.91 110.24 1bk8 h THR 9 Ca -0.53 -1.48 -0.53 0.00 -0.55 0.00 0.00 66.41 63.33 1bk8 h THR 9 Cb 1.44 2.06 0.09 0.00 -1.73 0.00 0.00 68.15 70.01 1bk8 h THR 9 CO -0.32 0.34 0.62 0.86 -0.25 0.00 0.00 175.52 176.77 1bk8 s TRP 10 N -3.12 2.73 -1.17 4.73 -0.11 -1.26 -4.86 118.94 115.87 1bk8 s TRP 10 Ca -0.14 1.39 -0.20 0.00 1.22 0.00 0.00 56.10 58.36 1bk8 s TRP 10 Cb -0.00 -3.71 -0.04 0.00 -1.50 0.00 0.00 33.47 28.22 1bk8 s TRP 10 CO 0.55 -2.26 1.92 -1.13 -4.62 0.00 0.00 176.95 171.41 1bk8 n SER 11 N -0.02 3.61 0.00 5.86 3.41 -1.26 -4.81 113.62 120.41 1bk8 n SER 11 Ca 0.04 -2.78 0.00 0.00 -0.26 0.00 0.00 58.87 55.88 1bk8 n SER 11 Cb 0.43 -1.60 0.00 0.00 -0.26 0.00 0.00 64.21 62.78 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 5.17 2.03 3.71 5.00 0.00 -1.26 -4.77 105.19 115.07 1bk8 n GLY 12 Ca 0.48 -0.02 -0.35 0.00 0.00 0.00 0.00 46.02 46.13 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 5.48 -1.20 1.61 2.47 -1.26 -4.59 114.94 113.45 1bk8 s ASN 13 Ca 0.00 0.19 -0.18 0.00 0.42 0.00 0.00 52.86 53.29 1bk8 s ASN 13 Cb 0.00 -1.65 0.09 0.00 -1.45 0.00 0.00 41.25 38.24 1bk8 s ASN 13 CO 0.00 0.36 1.58 0.00 -3.72 0.00 0.00 177.10 175.32 1bk8 h GLY 15 N 11.93 1.53 -5.10 0.00 0.00 -1.92 -3.42 103.07 106.10 1bk8 h GLY 15 Ca 0.36 -0.36 0.05 0.00 0.00 0.00 0.00 47.33 47.37 1bk8 h GLY 15 CO 1.39 0.06 -0.12 0.21 0.00 0.00 0.00 176.54 178.08 1bk8 s ASN 16 N -5.62 -1.01 0.35 0.19 3.84 -1.26 -5.04 114.94 106.39 1bk8 s ASN 16 Ca -0.11 1.50 0.03 0.00 0.21 0.00 0.00 52.86 54.49 1bk8 s ASN 16 Cb 0.23 1.97 0.67 0.00 -0.55 0.00 0.00 41.25 43.57 1bk8 s ASN 16 CO 0.80 -0.22 2.00 0.00 -2.79 0.00 0.00 177.10 176.88 1bk8 h THR 17 N 5.77 1.12 0.00 -5.21 1.03 -1.97 0.16 112.91 113.81 1bk8 h THR 17 Ca -0.21 -0.28 0.00 0.00 -0.01 0.00 0.00 66.41 65.90 1bk8 h THR 17 Cb 1.13 0.22 0.00 0.00 -1.07 0.00 0.00 68.15 68.43 1bk8 h THR 17 CO 0.12 0.15 0.00 0.00 -0.01 0.00 0.00 175.52 175.78 1bk8 h ALA 18 N 1.61 1.00 0.07 0.00 0.00 -1.96 -0.61 119.26 119.36 1bk8 h ALA 18 Ca 0.26 0.00 -0.31 0.00 0.00 0.00 0.00 54.91 54.85 1bk8 h ALA 18 Cb 0.01 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 17.77 1bk8 h ALA 18 CO -0.07 0.00 -1.71 1.58 0.00 0.00 0.00 179.25 179.06 1bk8 n HIS 19 N -3.00 1.10 -0.27 0.00 -0.00 -0.00 -4.11 115.22 108.93 1bk8 n HIS 19 Ca -0.01 0.33 0.02 0.00 -0.00 0.00 0.00 57.72 58.06 1bk8 n HIS 19 Cb 0.20 -1.13 0.09 0.00 -0.00 0.00 0.00 29.99 29.16 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 -0.00 0.86 -0.05 0.00 3.58 -1.31 -1.10 116.42 118.40 1bk8 h ASP 21 Ca 0.37 -0.12 -0.00 0.00 0.42 0.00 0.00 57.03 57.70 1bk8 h ASP 21 Cb 0.58 -0.22 -0.00 0.00 1.72 0.00 0.00 39.33 41.40 1bk8 h ASP 21 CO -0.81 0.78 0.03 0.11 -2.88 0.00 0.00 179.24 176.47 1bk8 h LYS 22 N 0.92 0.06 -1.60 0.28 1.57 -0.99 -0.45 116.57 116.37 1bk8 h LYS 22 Ca 0.21 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.99 1bk8 h LYS 22 Cb 0.20 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.50 1bk8 h LYS 22 CO -0.02 0.08 0.00 1.04 -0.57 0.00 0.00 179.45 179.98 1bk8 n GLN 23 N -5.04 0.77 0.00 3.15 6.02 -0.15 -0.13 117.38 122.00 1bk8 n GLN 23 Ca -0.06 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.93 1bk8 n GLN 23 Cb 0.05 -1.12 0.00 0.00 1.02 0.00 0.00 30.24 30.19 1bk8 n GLN 23 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1bk8 h GLN 25 N 0.00 0.05 0.01 0.00 4.20 -0.85 0.53 115.11 119.06 1bk8 h GLN 25 Ca 0.00 -0.05 -0.00 0.00 0.06 0.00 0.00 58.65 58.66 1bk8 h GLN 25 Cb 0.00 0.01 0.00 0.00 0.30 0.00 0.00 27.48 27.79 1bk8 h GLN 25 CO 0.00 0.78 -0.00 -0.44 -0.67 0.00 0.00 178.83 178.49 1bk8 h ASP 26 N -0.65 -0.01 0.27 1.46 3.32 -0.73 -3.37 116.42 116.71 1bk8 h ASP 26 Ca -0.01 -0.65 -0.01 0.00 0.02 0.00 0.00 57.03 56.38 1bk8 h ASP 26 Cb 0.80 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.35 1bk8 h ASP 26 CO 0.01 0.80 -0.13 -0.50 -1.72 0.00 0.00 179.24 177.71 1bk8 h TRP 27 N -0.99 -0.34 0.00 4.55 4.06 -1.76 -3.45 115.95 118.03 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 0.66 0.11 0.00 0.00 -1.00 0.00 0.00 29.16 28.93 1bk8 h TRP 27 CO 0.18 -0.21 0.00 -1.91 -3.56 0.00 0.00 178.44 172.94 1bk8 n GLU 28 N -4.63 2.32 -2.72 0.49 4.07 -1.22 -5.00 120.64 113.95 1bk8 n GLU 28 Ca -0.05 0.00 -0.08 0.00 -0.06 0.00 0.00 57.16 56.97 1bk8 n GLU 28 Cb 0.15 0.00 0.09 0.00 -0.06 0.00 0.00 31.44 31.62 1bk8 n GLU 28 CO 0.00 0.00 0.00 1.63 -0.06 0.00 0.00 177.13 178.70 1bk8 n LYS 29 N 0.00 0.93 -2.43 5.31 4.76 -0.77 -4.72 118.16 121.24 1bk8 n LYS 29 Ca 0.00 -1.79 -0.27 0.00 -2.87 0.00 0.00 58.31 53.38 1bk8 n LYS 29 Cb 0.00 -0.89 0.02 0.00 -1.84 0.00 0.00 35.03 32.31 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 3.31 0.14 7.82 0.00 0.11 -4.76 121.76 128.62 1bk8 s ALA 30 Ca 0.22 -0.54 -0.13 0.00 0.00 0.00 0.00 51.96 51.50 1bk8 s ALA 30 Cb 0.29 -2.66 0.02 0.00 0.00 0.00 0.00 23.12 20.77 1bk8 s ALA 30 CO -0.07 -0.61 1.62 0.77 0.00 0.00 0.00 175.76 177.48 1bk8 h SER 31 N -0.03 0.77 -5.12 0.00 0.02 -0.72 -3.37 113.55 105.09 1bk8 h SER 31 Ca -0.46 -0.27 -0.08 0.00 -0.84 0.00 0.00 61.79 60.15 1bk8 h SER 31 Cb 1.23 -0.20 -0.02 0.00 0.14 0.00 0.00 62.40 63.55 1bk8 h SER 31 CO 0.61 0.84 0.17 -1.38 -1.14 0.00 0.00 176.83 175.93 1bk8 s HIS 32 N -5.16 0.34 0.29 3.45 -3.43 -1.04 -4.87 115.29 104.87 1bk8 s HIS 32 Ca -0.13 -0.91 0.03 0.00 -0.80 0.00 0.00 55.06 53.26 1bk8 s HIS 32 Cb 0.11 0.62 -0.06 0.00 -1.43 0.00 0.00 32.58 31.83 1bk8 s HIS 32 CO 0.80 -1.47 0.06 0.20 -2.00 0.00 0.00 174.74 172.33 1bk8 s GLY 33 N -3.11 1.90 -0.20 -1.38 0.00 -1.26 -0.72 107.32 102.55 1bk8 s GLY 33 Ca 0.19 -1.96 -0.28 0.00 0.00 0.00 0.00 44.72 42.67 1bk8 s GLY 33 CO 0.13 -1.74 0.92 0.00 0.00 0.00 0.00 173.10 172.42 1bk8 s ALA 34 N -3.43 -1.90 0.31 3.20 0.00 0.31 -4.22 121.76 116.03 1bk8 s ALA 34 Ca 0.35 1.71 -0.28 0.00 0.00 0.00 0.00 51.96 53.75 1bk8 s ALA 34 Cb 0.08 -0.94 -0.09 0.00 0.00 0.00 0.00 23.12 22.17 1bk8 s ALA 34 CO 0.14 -0.30 1.10 0.00 0.00 0.00 0.00 175.76 176.71 1bk8 s HIS 36 N -1.26 0.09 -0.01 0.00 3.76 0.44 -4.90 115.29 113.42 1bk8 s HIS 36 Ca 0.48 -0.20 -0.26 0.00 -0.15 0.00 0.00 55.06 54.93 1bk8 s HIS 36 Cb -0.30 -0.08 -0.04 0.00 1.11 0.00 0.00 32.58 33.26 1bk8 s HIS 36 CO 0.39 -0.19 0.81 0.21 -0.85 0.00 0.00 174.74 175.11 1bk8 s LYS 37 N -1.04 4.50 -0.15 1.40 2.20 -1.26 0.04 119.74 125.43 1bk8 s LYS 37 Ca -0.11 1.11 -0.07 0.00 -0.36 0.00 0.00 55.97 56.53 1bk8 s LYS 37 Cb -0.07 -3.42 0.06 0.00 -1.51 0.00 0.00 37.83 32.89 1bk8 s LYS 37 CO 0.00 0.11 0.35 1.03 -0.36 0.00 0.00 175.35 176.48 1bk8 s ARG 38 N 0.56 0.31 -1.68 4.03 1.81 0.10 -4.85 118.95 119.23 1bk8 s ARG 38 Ca 0.42 0.73 -0.15 0.00 -1.72 0.00 0.00 55.73 55.01 1bk8 s ARG 38 Cb -0.20 -0.02 0.14 0.00 -0.45 0.00 0.00 34.95 34.42 1bk8 s ARG 38 CO 0.23 -0.18 0.61 0.39 -0.68 0.00 0.00 175.30 175.67 1bk8 n GLU 39 N 4.44 -2.43 -1.59 3.54 4.71 -1.26 -0.52 120.64 127.53 1bk8 n GLU 39 Ca -0.21 0.30 -0.20 0.00 -0.01 0.00 0.00 57.16 57.04 1bk8 n GLU 39 Cb 0.54 -4.77 -0.08 0.00 -1.01 0.00 0.00 31.44 26.11 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 -2.69 -5.39 -4.20 1.62 5.15 -1.26 -4.99 115.26 103.50 1bk8 n ASN 40 Ca -0.02 0.48 -0.33 0.00 -0.60 0.00 0.00 54.58 54.11 1bk8 n ASN 40 Cb 0.53 -4.63 -0.16 0.00 -0.53 0.00 0.00 39.78 35.00 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 2.78 -0.63 1.20 3.76 0.33 -5.08 115.29 114.90 1bk8 s HIS 41 Ca 0.00 -1.29 -0.27 0.00 -0.15 0.00 0.00 55.06 53.35 1bk8 s HIS 41 Cb 0.00 -1.91 0.01 0.00 1.11 0.00 0.00 32.58 31.79 1bk8 s HIS 41 CO 0.00 -0.62 1.48 -1.58 -0.85 0.00 0.00 174.74 173.17 1bk8 s TRP 42 N 1.06 2.12 -0.03 1.40 0.52 -1.26 -0.72 118.94 122.04 1bk8 s TRP 42 Ca -0.01 0.37 -0.11 0.00 0.02 0.00 0.00 56.10 56.37 1bk8 s TRP 42 Cb -0.14 -4.40 -0.05 0.00 -1.15 0.00 0.00 33.47 27.73 1bk8 s TRP 42 CO -0.05 -2.11 0.31 0.15 0.02 0.00 0.00 176.95 175.27 1bk8 s LYS 43 N 5.97 3.72 -0.35 4.98 -0.14 0.11 0.22 119.74 134.24 1bk8 s LYS 43 Ca 0.50 0.17 -0.29 0.00 -1.36 0.00 0.00 55.97 54.99 1bk8 s LYS 43 Cb -0.10 -3.18 0.00 0.00 -1.68 0.00 0.00 37.83 32.87 1bk8 s LYS 43 CO 0.20 0.70 1.41 0.00 -0.76 0.00 0.00 175.35 176.91 1bk8 s PHE 45 N 5.10 3.51 0.17 0.00 0.40 0.12 -0.77 117.98 126.51 1bk8 s PHE 45 Ca 0.61 0.52 0.09 0.00 -0.60 0.00 0.00 56.93 57.56 1bk8 s PHE 45 Cb -0.16 -1.97 -0.04 0.00 0.51 0.00 0.00 43.02 41.36 1bk8 s PHE 45 CO 0.29 0.51 -0.13 0.00 0.70 0.00 0.00 175.22 176.59 1bk8 s TYR 47 N -1.59 0.65 0.55 0.00 1.51 0.10 -0.40 117.35 118.17 1bk8 s TYR 47 Ca 0.23 -0.67 0.09 0.00 -1.01 0.00 0.00 57.07 55.71 1bk8 s TYR 47 Cb -0.09 -0.90 0.07 0.00 -0.11 0.00 0.00 41.96 40.92 1bk8 s TYR 47 CO 0.14 -0.60 0.68 -0.06 -1.11 0.00 0.00 175.55 174.60 1bk8 s PHE 48 N 1.99 1.59 -1.03 2.71 0.40 -0.19 -0.01 117.98 123.42 1bk8 s PHE 48 Ca 0.02 -0.72 -0.10 0.00 -0.60 0.00 0.00 56.93 55.53 1bk8 s PHE 48 Cb -0.17 -2.16 0.10 0.00 0.51 0.00 0.00 43.02 41.30 1bk8 s PHE 48 CO -0.11 -0.93 0.24 0.27 0.70 0.00 0.00 175.22 175.39 1bk8 n ASN 49 N -2.10 -0.58 -0.37 1.36 0.23 -1.26 -3.14 115.26 109.41 1bk8 n ASN 49 Ca 0.11 -0.72 0.05 0.00 -0.53 0.00 0.00 54.58 53.48 1bk8 n ASN 49 Cb 0.62 -0.92 0.04 0.00 -2.08 0.00 0.00 39.78 37.44 1bk8 n ASN 49 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33