#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 10.77 5.97 -0.07 0.00 3.04 0.78 -4.85 114.94 130.59 1bk8 s ASN 3 Ca 1.02 -1.42 -0.30 0.00 0.04 0.00 0.00 52.86 52.20 1bk8 s ASN 3 Cb -0.30 -2.57 -0.04 0.00 -1.54 0.00 0.00 41.25 36.81 1bk8 s ASN 3 CO 0.24 -2.01 1.29 -0.70 -3.04 0.00 0.00 177.10 172.88 1bk8 s GLU 4 N 5.64 4.30 0.08 0.43 2.12 -1.26 -0.78 118.70 129.22 1bk8 s GLU 4 Ca 0.57 1.78 0.04 0.00 0.36 0.00 0.00 54.97 57.72 1bk8 s GLU 4 Cb -0.01 -3.63 -0.03 0.00 0.26 0.00 0.00 34.13 30.71 1bk8 s GLU 4 CO -0.01 -0.56 -0.11 1.03 -0.54 0.00 0.00 175.26 175.07 1bk8 s ARG 5 N 2.66 0.77 0.66 4.30 0.52 0.47 -4.98 118.95 123.35 1bk8 s ARG 5 Ca 0.59 -1.02 -0.11 0.00 -0.52 0.00 0.00 55.73 54.67 1bk8 s ARG 5 Cb -0.26 -0.55 0.16 0.00 0.52 0.00 0.00 34.95 34.82 1bk8 s ARG 5 CO 0.22 0.10 0.68 -0.35 0.02 0.00 0.00 175.30 175.96 1bk8 n PRO 6 N 0.94 -1.77 -1.52 3.54 -0.04 -1.26 -0.73 135.00 134.16 1bk8 n PRO 6 Ca -0.19 -1.07 -0.42 0.00 -0.04 0.00 0.00 63.50 61.78 1bk8 n PRO 6 Cb 0.56 -0.90 -0.06 0.00 -0.04 0.00 0.00 33.50 33.06 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 -3.90 2.05 -0.05 3.54 3.41 -0.31 -4.17 113.62 114.19 1bk8 n SER 7 Ca 0.09 -0.03 -0.01 0.00 -0.26 0.00 0.00 58.87 58.66 1bk8 n SER 7 Cb 0.34 -1.38 -0.00 0.00 -0.26 0.00 0.00 64.21 62.91 1bk8 n SER 7 CO 0.00 0.00 0.00 1.56 -0.16 0.00 0.00 175.04 176.44 1bk8 h GLN 8 N 15.64 0.00 0.03 4.33 1.08 -1.87 -3.36 115.11 130.97 1bk8 h GLN 8 Ca -0.24 0.00 -0.00 0.00 -1.45 0.00 0.00 58.65 56.96 1bk8 h GLN 8 Cb 1.29 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.72 1bk8 h GLN 8 CO 1.13 0.02 -0.02 1.79 -0.95 0.00 0.00 178.83 180.81 1bk8 h THR 9 N -1.00 1.08 -0.14 -0.54 1.35 -1.87 -3.40 112.91 108.39 1bk8 h THR 9 Ca -0.00 -1.68 -0.04 0.00 -0.55 0.00 0.00 66.41 64.14 1bk8 h THR 9 Cb 0.08 2.00 -0.01 0.00 -1.73 0.00 0.00 68.15 68.49 1bk8 h THR 9 CO -0.00 0.35 -0.08 -0.25 -0.25 0.00 0.00 175.52 175.29 1bk8 h TRP 10 N -0.96 0.21 -6.99 4.73 2.91 -1.85 -3.46 115.95 110.55 1bk8 h TRP 10 Ca -0.00 -0.02 -0.58 0.00 1.13 0.00 0.00 58.89 59.42 1bk8 h TRP 10 Cb 0.61 -0.06 -0.09 0.00 -0.51 0.00 0.00 29.16 29.10 1bk8 h TRP 10 CO 0.16 0.30 -0.95 0.43 -1.03 0.00 0.00 178.44 177.35 1bk8 n SER 11 N -4.33 -1.89 0.00 2.65 7.64 -1.26 -4.81 113.62 111.62 1bk8 n SER 11 Ca -0.01 -1.24 0.00 0.00 1.01 0.00 0.00 58.87 58.64 1bk8 n SER 11 Cb 0.22 -1.50 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 -2.24 -0.55 3.85 0.23 0.00 -1.26 -5.14 105.19 100.07 1bk8 n GLY 12 Ca -0.19 -0.65 -0.33 0.00 0.00 0.00 0.00 46.02 44.85 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 6.80 0.78 1.61 2.47 -1.26 -4.54 114.94 116.80 1bk8 s ASN 13 Ca 0.00 1.31 -0.14 0.00 0.42 0.00 0.00 52.86 54.45 1bk8 s ASN 13 Cb 0.00 -2.38 0.05 0.00 -1.45 0.00 0.00 41.25 37.46 1bk8 s ASN 13 CO 0.00 -0.20 1.05 0.00 -3.72 0.00 0.00 177.10 174.23 1bk8 n GLY 15 N 0.83 -0.01 3.23 0.00 0.00 -1.26 -5.00 105.19 102.98 1bk8 n GLY 15 Ca 0.13 -0.00 -0.11 0.00 0.00 0.00 0.00 46.02 46.04 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 -5.19 -0.46 0.37 1.61 3.84 -1.26 -5.04 114.94 108.81 1bk8 s ASN 16 Ca -0.01 0.82 0.07 0.00 0.21 0.00 0.00 52.86 53.95 1bk8 s ASN 16 Cb 0.00 0.70 0.78 0.00 -0.55 0.00 0.00 41.25 42.18 1bk8 s ASN 16 CO 0.01 -0.18 1.96 0.00 -2.79 0.00 0.00 177.10 176.10 1bk8 h THR 17 N 5.56 1.01 0.00 -5.21 1.03 -1.97 0.14 112.91 113.46 1bk8 h THR 17 Ca -0.37 -0.24 0.00 0.00 -0.01 0.00 0.00 66.41 65.79 1bk8 h THR 17 Cb 1.18 0.24 0.00 0.00 -1.07 0.00 0.00 68.15 68.49 1bk8 h THR 17 CO 0.31 0.13 0.00 0.00 -0.01 0.00 0.00 175.52 175.95 1bk8 h ALA 18 N 1.62 1.00 0.05 0.00 0.00 -1.96 -0.26 119.26 119.72 1bk8 h ALA 18 Ca 0.30 0.00 -0.30 0.00 0.00 0.00 0.00 54.91 54.92 1bk8 h ALA 18 Cb 0.28 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.04 1bk8 h ALA 18 CO -0.10 0.00 -1.62 1.58 0.00 0.00 0.00 179.25 179.11 1bk8 n HIS 19 N -2.74 1.06 -0.27 0.00 -0.00 0.26 -4.14 115.22 109.38 1bk8 n HIS 19 Ca -0.01 0.35 0.04 0.00 -0.00 0.00 0.00 57.72 58.11 1bk8 n HIS 19 Cb 0.16 -1.12 0.14 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 0.04 0.76 -0.07 0.00 3.58 -1.26 -1.57 116.42 117.91 1bk8 h ASP 21 Ca 0.41 -0.11 -0.00 0.00 0.42 0.00 0.00 57.03 57.75 1bk8 h ASP 21 Cb 0.69 -0.20 -0.00 0.00 1.72 0.00 0.00 39.33 41.54 1bk8 h ASP 21 CO -0.77 0.70 0.04 0.11 -2.88 0.00 0.00 179.24 176.44 1bk8 h LYS 22 N 0.82 0.10 -1.55 0.28 1.57 -0.88 -0.03 116.57 116.88 1bk8 h LYS 22 Ca 0.19 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.96 1bk8 h LYS 22 Cb 0.20 -0.02 0.00 0.00 0.08 0.00 0.00 32.23 32.49 1bk8 h LYS 22 CO -0.01 0.16 0.00 1.04 -0.57 0.00 0.00 179.45 180.07 1bk8 n GLN 23 N -4.99 0.78 0.00 3.15 6.02 -0.33 -0.15 117.38 121.87 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 0.08 -1.11 0.00 0.00 1.02 0.00 0.00 30.24 30.23 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 0.32 0.00 0.00 4.20 -0.80 0.96 115.11 119.79 1bk8 h GLN 25 Ca 0.00 -0.40 -0.03 0.00 0.06 0.00 0.00 58.65 58.28 1bk8 h GLN 25 Cb 0.00 0.13 -0.00 0.00 0.30 0.00 0.00 27.48 27.90 1bk8 h GLN 25 CO 0.00 1.11 -0.25 -0.44 -0.67 0.00 0.00 178.83 178.58 1bk8 h ASP 26 N -0.28 0.00 0.28 1.46 3.32 -0.75 -3.38 116.42 117.07 1bk8 h ASP 26 Ca -0.08 -0.39 -0.01 0.00 0.02 0.00 0.00 57.03 56.56 1bk8 h ASP 26 Cb 1.35 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.90 1bk8 h ASP 26 CO 0.11 0.84 -0.13 -0.50 -1.72 0.00 0.00 179.24 177.83 1bk8 h TRP 27 N -1.00 -0.35 0.00 4.55 4.06 -1.76 -3.44 115.95 118.01 1bk8 h TRP 27 Ca -0.05 -0.01 0.00 0.00 2.06 0.00 0.00 58.89 60.89 1bk8 h TRP 27 Cb 0.58 0.12 0.00 0.00 -1.00 0.00 0.00 29.16 28.85 1bk8 h TRP 27 CO 0.07 -0.22 0.00 0.39 -3.56 0.00 0.00 178.44 175.12 1bk8 n GLU 28 N -4.96 3.41 -2.71 0.49 -0.58 -1.24 -4.97 120.64 110.08 1bk8 n GLU 28 Ca -0.05 0.00 -0.08 0.00 -0.42 0.00 0.00 57.16 56.61 1bk8 n GLU 28 Cb 0.15 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 0.98 -3.23 3.49 4.76 -0.71 -4.68 118.16 118.77 1bk8 n LYS 29 Ca 0.00 -1.77 -0.26 0.00 -2.87 0.00 0.00 58.31 53.41 1bk8 n LYS 29 Cb 0.00 -0.66 -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 0.23 3.62 0.16 7.82 0.00 0.25 -4.88 121.76 128.95 1bk8 s ALA 30 Ca 0.21 -0.71 -0.15 0.00 0.00 0.00 0.00 51.96 51.31 1bk8 s ALA 30 Cb 0.31 -2.26 0.08 0.00 0.00 0.00 0.00 23.12 21.25 1bk8 s ALA 30 CO -0.07 0.01 1.76 0.77 0.00 0.00 0.00 175.76 178.23 1bk8 h SER 31 N 0.99 0.19 -3.01 0.00 0.02 -0.30 -3.36 113.55 108.07 1bk8 h SER 31 Ca -0.48 0.04 -0.09 0.00 -0.84 0.00 0.00 61.79 60.42 1bk8 h SER 31 Cb 1.21 0.01 -0.01 0.00 0.14 0.00 0.00 62.40 63.75 1bk8 h SER 31 CO 0.63 0.15 0.15 0.00 -1.14 0.00 0.00 176.83 176.61 1bk8 n HIS 32 N -4.99 -1.99 -4.42 3.45 1.44 -1.02 -4.88 115.22 102.82 1bk8 n HIS 32 Ca 0.02 -1.77 -0.20 0.00 -2.01 0.00 0.00 57.72 53.76 1bk8 n HIS 32 Cb 0.13 0.74 -0.10 0.00 0.12 0.00 0.00 29.99 30.87 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 -2.86 1.96 -0.26 -1.39 0.00 -1.26 -0.48 107.32 103.03 1bk8 s GLY 33 Ca 0.17 -1.99 -0.26 0.00 0.00 0.00 0.00 44.72 42.64 1bk8 s GLY 33 CO 0.13 -1.77 1.05 0.00 0.00 0.00 0.00 173.10 172.50 1bk8 s ALA 34 N -3.34 -1.98 0.35 3.20 0.00 0.28 -4.28 121.76 115.99 1bk8 s ALA 34 Ca 0.35 1.81 -0.20 0.00 0.00 0.00 0.00 51.96 53.92 1bk8 s ALA 34 Cb 0.08 -1.31 -0.10 0.00 0.00 0.00 0.00 23.12 21.79 1bk8 s ALA 34 CO 0.14 -0.24 0.86 0.00 0.00 0.00 0.00 175.76 176.52 1bk8 s HIS 36 N -1.94 -0.06 -0.19 0.00 3.76 0.64 -4.91 115.29 112.58 1bk8 s HIS 36 Ca 0.55 0.12 -0.25 0.00 -0.15 0.00 0.00 55.06 55.32 1bk8 s HIS 36 Cb -0.12 0.00 -0.01 0.00 1.11 0.00 0.00 32.58 33.56 1bk8 s HIS 36 CO 0.17 -0.23 0.84 0.21 -0.85 0.00 0.00 174.74 174.89 1bk8 s LYS 37 N -0.86 4.27 -0.04 1.40 2.20 -1.26 0.29 119.74 125.73 1bk8 s LYS 37 Ca -0.10 1.02 -0.01 0.00 -0.36 0.00 0.00 55.97 56.53 1bk8 s LYS 37 Cb -0.05 -3.59 0.03 0.00 -1.51 0.00 0.00 37.83 32.70 1bk8 s LYS 37 CO 0.01 -0.39 0.04 0.50 -0.36 0.00 0.00 175.35 175.15 1bk8 s ARG 38 N 2.35 0.08 -1.44 4.03 6.06 0.10 -4.81 118.95 125.32 1bk8 s ARG 38 Ca 0.38 0.25 -0.09 0.00 -2.50 0.00 0.00 55.73 53.77 1bk8 s ARG 38 Cb -0.16 -0.50 0.05 0.00 0.06 0.00 0.00 34.95 34.40 1bk8 s ARG 38 CO 0.11 -0.26 0.69 0.39 -2.50 0.00 0.00 175.30 173.73 1bk8 n GLU 39 N 4.82 -4.64 -1.62 5.12 1.02 -1.26 -0.54 120.64 123.54 1bk8 n GLU 39 Ca -0.13 0.66 -0.20 0.00 -0.02 0.00 0.00 57.16 57.47 1bk8 n GLU 39 Cb 0.50 -5.48 -0.08 0.00 -0.02 0.00 0.00 31.44 26.36 1bk8 n GLU 39 CO 0.00 0.00 0.00 -1.71 1.18 0.00 0.00 177.13 176.60 1bk8 n ASN 40 N -2.54 -5.40 -4.25 1.62 5.15 -1.26 -4.99 115.26 103.59 1bk8 n ASN 40 Ca -0.03 0.46 -0.33 0.00 -0.60 0.00 0.00 54.58 54.08 1bk8 n ASN 40 Cb 0.56 -4.63 -0.15 0.00 -0.53 0.00 0.00 39.78 35.02 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 -2.75 2.78 -0.71 1.20 3.76 0.30 -5.07 115.29 114.81 1bk8 s HIS 41 Ca 0.00 -1.11 -0.27 0.00 -0.15 0.00 0.00 55.06 53.54 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 -0.52 1.54 -1.58 -0.85 0.00 0.00 174.74 173.33 1bk8 s TRP 42 N 0.89 2.03 -0.14 1.40 0.52 -1.26 -0.72 118.94 121.67 1bk8 s TRP 42 Ca -0.04 0.26 -0.20 0.00 0.02 0.00 0.00 56.10 56.14 1bk8 s TRP 42 Cb -0.15 -4.40 -0.03 0.00 -1.15 0.00 0.00 33.47 27.73 1bk8 s TRP 42 CO -0.02 -2.15 0.58 0.15 0.02 0.00 0.00 176.95 175.53 1bk8 s LYS 43 N 6.26 4.31 0.19 4.98 -0.14 0.14 0.30 119.74 135.78 1bk8 s LYS 43 Ca 0.49 0.59 -0.32 0.00 -1.36 0.00 0.00 55.97 55.38 1bk8 s LYS 43 Cb -0.09 -3.49 -0.12 0.00 -1.68 0.00 0.00 37.83 32.44 1bk8 s LYS 43 CO 0.15 -0.02 1.75 0.00 -0.76 0.00 0.00 175.35 176.48 1bk8 s PHE 45 N 1.48 2.29 0.25 0.00 0.40 0.02 -1.16 117.98 121.26 1bk8 s PHE 45 Ca 0.76 -0.38 0.09 0.00 -0.60 0.00 0.00 56.93 56.80 1bk8 s PHE 45 Cb -0.50 -1.23 -0.04 0.00 0.51 0.00 0.00 43.02 41.76 1bk8 s PHE 45 CO 0.33 0.35 0.03 0.00 0.70 0.00 0.00 175.22 176.63 1bk8 s TYR 47 N -2.18 0.55 0.55 0.00 1.51 0.37 -0.39 117.35 117.75 1bk8 s TYR 47 Ca 0.31 -0.82 0.04 0.00 -1.01 0.00 0.00 57.07 55.59 1bk8 s TYR 47 Cb -0.07 -0.96 0.10 0.00 -0.11 0.00 0.00 41.96 40.92 1bk8 s TYR 47 CO 0.21 -0.72 0.76 1.19 -1.11 0.00 0.00 175.55 175.87 1bk8 n PHE 48 N 5.18 -2.69 -1.39 2.71 3.01 0.04 0.44 117.46 124.76 1bk8 n PHE 48 Ca -0.06 -1.64 -0.14 0.00 1.01 0.00 0.00 57.45 56.62 1bk8 n PHE 48 Cb 0.45 -0.54 -0.06 0.00 -0.01 0.00 0.00 39.48 39.32 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 -2.67 -3.82 -0.40 4.37 4.13 -1.26 -0.15 115.26 115.45 1bk8 n ASN 49 Ca 0.14 0.35 0.14 0.00 1.68 0.00 0.00 54.58 56.89 1bk8 n ASN 49 Cb 0.50 -3.48 0.59 0.00 -1.54 0.00 0.00 39.78 35.85 1bk8 n ASN 49 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54