#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 4.65 6.16 -0.95 0.00 0.01 -1.16 -4.79 114.94 118.86 1bk8 s ASN 3 Ca 0.57 0.84 -0.24 0.00 -0.71 0.00 0.00 52.86 53.32 1bk8 s ASN 3 Cb 0.03 -2.54 -0.01 0.00 0.41 0.00 0.00 41.25 39.15 1bk8 s ASN 3 CO 0.09 -1.57 1.75 -0.70 -1.51 0.00 0.00 177.10 175.16 1bk8 s GLU 4 N 5.26 2.96 -0.09 -0.60 2.12 -1.26 -2.74 118.70 124.36 1bk8 s GLU 4 Ca 0.65 -0.62 -0.09 0.00 0.36 0.00 0.00 54.97 55.27 1bk8 s GLU 4 Cb -0.15 -5.18 -0.04 0.00 0.26 0.00 0.00 34.13 29.01 1bk8 s GLU 4 CO 0.31 -2.92 0.21 0.50 -0.54 0.00 0.00 175.26 172.83 1bk8 s ARG 5 N 6.21 3.58 1.11 4.30 3.52 0.72 -4.93 118.95 133.45 1bk8 s ARG 5 Ca 0.61 0.02 -0.14 0.00 -0.13 0.00 0.00 55.73 56.08 1bk8 s ARG 5 Cb -0.04 -3.20 0.24 0.00 -1.56 0.00 0.00 34.95 30.39 1bk8 s ARG 5 CO -0.04 0.75 1.07 -1.25 -0.81 0.00 0.00 175.30 175.02 1bk8 s PRO 6 N -1.03 -0.44 -0.44 5.12 0.04 -1.26 -0.28 135.00 136.71 1bk8 s PRO 6 Ca 0.17 0.41 -0.30 0.00 0.04 0.00 0.00 61.00 61.33 1bk8 s PRO 6 Cb -0.13 -1.64 -0.10 0.00 0.04 0.00 0.00 34.50 32.67 1bk8 s PRO 6 CO 0.07 -3.30 2.33 -1.13 0.04 0.00 0.00 177.00 175.01 1bk8 n SER 7 N -4.55 2.26 -0.05 6.66 3.41 -0.96 -4.41 113.62 115.98 1bk8 n SER 7 Ca 0.06 0.02 -0.02 0.00 -0.26 0.00 0.00 58.87 58.67 1bk8 n SER 7 Cb 0.57 -1.41 -0.01 0.00 -0.26 0.00 0.00 64.21 63.11 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 15.49 0.00 0.09 4.33 4.20 -1.89 -3.43 115.11 133.90 1bk8 h GLN 8 Ca -0.27 0.00 -0.00 0.00 0.06 0.00 0.00 58.65 58.44 1bk8 h GLN 8 Cb 1.28 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.06 1bk8 h GLN 8 CO 1.09 0.00 -0.04 1.79 -0.67 0.00 0.00 178.83 181.00 1bk8 h THR 9 N -0.85 1.03 -4.11 -0.54 1.35 -1.89 -3.46 112.91 104.46 1bk8 h THR 9 Ca 0.00 -1.39 -0.53 0.00 -0.55 0.00 0.00 66.41 63.94 1bk8 h THR 9 Cb 0.21 1.80 0.12 0.00 -1.73 0.00 0.00 68.15 68.55 1bk8 h THR 9 CO 0.00 0.29 0.47 0.86 -0.25 0.00 0.00 175.52 176.89 1bk8 s TRP 10 N -3.06 2.34 0.00 4.73 -0.11 -1.26 -5.05 118.94 116.53 1bk8 s TRP 10 Ca -0.13 1.52 0.00 0.00 1.22 0.00 0.00 56.10 58.71 1bk8 s TRP 10 Cb -0.00 -3.50 0.00 0.00 -1.50 0.00 0.00 33.47 28.47 1bk8 s TRP 10 CO 0.50 -2.30 0.00 -1.13 -4.62 0.00 0.00 176.95 169.40 1bk8 n SER 11 N -1.70 0.00 0.00 5.86 3.41 -1.26 -4.80 113.62 115.12 1bk8 n SER 11 Ca 0.14 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.75 1bk8 n SER 11 Cb 0.50 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.45 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 5.00 -1.90 3.90 5.00 0.00 -1.26 -4.84 105.19 111.09 1bk8 n GLY 12 Ca 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.72 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 -1.91 6.50 0.10 1.61 2.47 -1.25 -4.32 114.94 118.13 1bk8 s ASN 13 Ca 0.00 0.73 0.07 0.00 0.42 0.00 0.00 52.86 54.08 1bk8 s ASN 13 Cb 0.00 -2.15 -0.03 0.00 -1.45 0.00 0.00 41.25 37.62 1bk8 s ASN 13 CO 0.00 -0.11 -0.18 0.00 -3.72 0.00 0.00 177.10 173.09 1bk8 n GLY 15 N 0.98 -0.75 3.31 0.00 0.00 -1.26 -4.75 105.19 102.72 1bk8 n GLY 15 Ca -0.19 0.10 -0.38 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 -2.62 3.44 0.24 1.61 2.85 -1.26 -4.72 115.26 114.80 1bk8 n ASN 16 Ca 0.00 -2.76 0.08 0.00 -0.11 0.00 0.00 54.58 51.78 1bk8 n ASN 16 Cb 0.00 -1.55 0.60 0.00 1.24 0.00 0.00 39.78 40.07 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 5.20 0.97 -0.40 -0.44 1.03 -1.98 0.31 112.91 117.60 1bk8 h THR 17 Ca 0.38 -0.46 0.01 0.00 -0.01 0.00 0.00 66.41 66.33 1bk8 h THR 17 Cb 0.80 1.26 -0.02 0.00 -1.07 0.00 0.00 68.15 69.11 1bk8 h THR 17 CO 1.60 0.13 0.26 0.00 -0.01 0.00 0.00 175.52 177.49 1bk8 h ALA 18 N 1.87 0.50 0.18 0.00 0.00 -1.94 0.67 119.26 120.54 1bk8 h ALA 18 Ca -0.00 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.88 1bk8 h ALA 18 Cb 0.25 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 17.88 1bk8 h ALA 18 CO 0.02 -0.05 -0.09 1.25 0.00 0.00 0.00 179.25 180.38 1bk8 h HIS 19 N 0.53 -0.23 -0.87 0.00 6.17 -1.49 -2.96 115.15 116.30 1bk8 h HIS 19 Ca 0.15 -0.01 0.22 0.00 0.71 0.00 0.00 60.37 61.45 1bk8 h HIS 19 Cb -0.05 0.08 -0.15 0.00 2.52 0.00 0.00 27.41 29.80 1bk8 h HIS 19 CO -0.05 -0.02 0.08 0.00 0.71 0.00 0.00 177.93 178.64 1bk8 h ASP 21 N 0.10 0.13 0.38 0.00 1.82 -0.71 -1.70 116.42 116.45 1bk8 h ASP 21 Ca 0.52 -0.02 -0.32 0.00 -0.39 0.00 0.00 57.03 56.82 1bk8 h ASP 21 Cb 1.01 -0.03 -0.01 0.00 0.68 0.00 0.00 39.33 40.98 1bk8 h ASP 21 CO -0.75 0.24 -1.61 0.11 -1.61 0.00 0.00 179.24 175.61 1bk8 h LYS 22 N 0.14 0.27 -2.04 0.28 1.57 -0.57 -2.96 116.57 113.26 1bk8 h LYS 22 Ca 0.03 -0.46 -0.14 0.00 -1.87 0.00 0.00 60.65 58.22 1bk8 h LYS 22 Cb 0.25 0.17 -0.05 0.00 0.08 0.00 0.00 32.23 32.68 1bk8 h LYS 22 CO 0.01 1.13 -0.26 0.94 -0.57 0.00 0.00 179.45 180.71 1bk8 n GLN 23 N -3.46 1.66 0.00 3.15 7.27 0.73 -0.38 117.38 126.35 1bk8 n GLN 23 Ca -0.19 -0.71 0.00 0.00 0.07 0.00 0.00 57.00 56.17 1bk8 n GLN 23 Cb 1.05 -1.74 0.00 0.00 2.41 0.00 0.00 30.24 31.96 1bk8 n GLN 23 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 1bk8 h GLN 25 N 0.00 0.08 0.00 0.00 4.15 -1.40 0.32 115.11 118.25 1bk8 h GLN 25 Ca 0.00 -0.07 -0.12 0.00 0.77 0.00 0.00 58.65 59.23 1bk8 h GLN 25 Cb 0.00 0.02 -0.02 0.00 0.21 0.00 0.00 27.48 27.69 1bk8 h GLN 25 CO 0.00 0.78 -0.66 -0.44 -1.93 0.00 0.00 178.83 176.58 1bk8 h ASP 26 N -0.60 0.00 0.12 -0.69 3.32 -1.02 -3.36 116.42 114.19 1bk8 h ASP 26 Ca -0.01 -0.72 -0.01 0.00 0.02 0.00 0.00 57.03 56.32 1bk8 h ASP 26 Cb 0.81 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.36 1bk8 h ASP 26 CO 0.02 1.25 -0.06 -0.50 -1.72 0.00 0.00 179.24 178.23 1bk8 h TRP 27 N -1.00 -0.14 0.00 4.55 4.06 -1.77 -3.44 115.95 118.21 1bk8 h TRP 27 Ca -0.18 -0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.76 1bk8 h TRP 27 Cb 1.14 0.05 0.00 0.00 -1.00 0.00 0.00 29.16 29.35 1bk8 h TRP 27 CO 0.18 -0.09 0.00 -1.91 -3.56 0.00 0.00 178.44 173.06 1bk8 n GLU 28 N -3.14 3.49 -2.70 0.49 0.00 -1.22 -4.99 120.64 112.56 1bk8 n GLU 28 Ca -0.02 0.00 -0.07 0.00 0.00 0.00 0.00 57.16 57.07 1bk8 n GLU 28 Cb 0.06 0.00 0.11 0.00 0.00 0.00 0.00 31.44 31.61 1bk8 n GLU 28 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.13 178.76 1bk8 n LYS 29 N 0.00 1.14 -2.30 5.31 4.76 -0.43 -4.65 118.16 121.99 1bk8 n LYS 29 Ca 0.00 -1.81 -0.25 0.00 -2.87 0.00 0.00 58.31 53.38 1bk8 n LYS 29 Cb 0.00 -0.20 0.07 0.00 -1.84 0.00 0.00 35.03 33.06 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 0.21 3.31 0.02 7.82 0.00 -0.03 -4.83 121.76 128.26 1bk8 s ALA 30 Ca 0.22 -1.05 -0.24 0.00 0.00 0.00 0.00 51.96 50.88 1bk8 s ALA 30 Cb 0.37 -2.47 -0.17 0.00 0.00 0.00 0.00 23.12 20.85 1bk8 s ALA 30 CO -0.08 -1.23 1.41 0.77 0.00 0.00 0.00 175.76 176.63 1bk8 h SER 31 N -0.49 0.08 -0.40 0.00 0.02 -0.78 -3.38 113.55 108.60 1bk8 h SER 31 Ca -0.44 -0.35 0.00 0.00 -0.84 0.00 0.00 61.79 60.16 1bk8 h SER 31 Cb 1.31 -0.02 0.00 0.00 0.14 0.00 0.00 62.40 63.83 1bk8 h SER 31 CO 0.57 0.41 0.00 0.00 -1.14 0.00 0.00 176.83 176.67 1bk8 n HIS 32 N -4.86 -0.40 -4.10 3.45 1.44 -0.89 -4.77 115.22 105.09 1bk8 n HIS 32 Ca -0.07 0.00 -0.11 0.00 -2.01 0.00 0.00 57.72 55.53 1bk8 n HIS 32 Cb 0.20 0.00 -0.07 0.00 0.12 0.00 0.00 29.99 30.24 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 -0.52 1.07 -0.25 -1.39 0.00 -1.12 -0.47 107.32 104.64 1bk8 s GLY 33 Ca 0.00 -1.33 -0.26 0.00 0.00 0.00 0.00 44.72 43.13 1bk8 s GLY 33 CO 0.00 -1.03 0.91 0.00 0.00 0.00 0.00 173.10 172.99 1bk8 s ALA 34 N -3.99 -1.90 0.30 3.20 0.00 0.51 -3.90 121.76 115.98 1bk8 s ALA 34 Ca 0.31 1.84 -0.29 0.00 0.00 0.00 0.00 51.96 53.82 1bk8 s ALA 34 Cb 0.03 -1.16 -0.10 0.00 0.00 0.00 0.00 23.12 21.89 1bk8 s ALA 34 CO 0.12 -0.28 1.11 0.00 0.00 0.00 0.00 175.76 176.70 1bk8 s HIS 36 N -1.21 0.00 0.02 0.00 3.76 0.54 -4.89 115.29 113.50 1bk8 s HIS 36 Ca 0.46 -0.05 -0.27 0.00 -0.15 0.00 0.00 55.06 55.05 1bk8 s HIS 36 Cb -0.31 -0.02 -0.04 0.00 1.11 0.00 0.00 32.58 33.31 1bk8 s HIS 36 CO 0.40 -0.29 0.85 0.21 -0.85 0.00 0.00 174.74 175.06 1bk8 s LYS 37 N -1.30 4.54 -0.05 1.40 2.20 -1.26 -0.03 119.74 125.24 1bk8 s LYS 37 Ca -0.14 1.19 -0.02 0.00 -0.36 0.00 0.00 55.97 56.65 1bk8 s LYS 37 Cb -0.07 -3.41 0.04 0.00 -1.51 0.00 0.00 37.83 32.87 1bk8 s LYS 37 CO 0.02 0.12 0.10 1.03 -0.36 0.00 0.00 175.35 176.25 1bk8 s ARG 38 N 0.48 0.02 -1.63 4.03 1.81 0.01 -4.88 118.95 118.79 1bk8 s ARG 38 Ca 0.44 0.32 -0.15 0.00 -1.72 0.00 0.00 55.73 54.61 1bk8 s ARG 38 Cb -0.20 -0.24 0.12 0.00 -0.45 0.00 0.00 34.95 34.18 1bk8 s ARG 38 CO 0.24 -0.19 0.80 0.39 -0.68 0.00 0.00 175.30 175.87 1bk8 n GLU 39 N 4.38 -3.80 -1.57 3.54 4.71 -1.26 -0.29 120.64 126.36 1bk8 n GLU 39 Ca -0.23 0.43 -0.19 0.00 -0.01 0.00 0.00 57.16 57.16 1bk8 n GLU 39 Cb 0.51 -5.15 -0.08 0.00 -1.01 0.00 0.00 31.44 25.71 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 -2.74 -5.24 -4.15 1.62 5.15 -1.26 -4.99 115.26 103.65 1bk8 n ASN 40 Ca 0.03 0.44 -0.33 0.00 -0.60 0.00 0.00 54.58 54.11 1bk8 n ASN 40 Cb 0.52 -4.37 -0.16 0.00 -0.53 0.00 0.00 39.78 35.24 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 -2.70 2.81 -0.57 1.20 3.76 0.61 -5.08 115.29 115.32 1bk8 s HIS 41 Ca 0.00 -1.55 -0.28 0.00 -0.15 0.00 0.00 55.06 53.08 1bk8 s HIS 41 Cb 0.00 -1.95 0.01 0.00 1.11 0.00 0.00 32.58 31.75 1bk8 s HIS 41 CO 0.00 -0.77 1.48 -1.58 -0.85 0.00 0.00 174.74 173.02 1bk8 s TRP 42 N 1.32 2.18 -0.05 1.40 0.52 -1.26 -0.81 118.94 122.24 1bk8 s TRP 42 Ca 0.05 0.48 -0.12 0.00 0.02 0.00 0.00 56.10 56.53 1bk8 s TRP 42 Cb -0.13 -4.36 -0.05 0.00 -1.15 0.00 0.00 33.47 27.78 1bk8 s TRP 42 CO -0.11 -2.08 0.31 0.15 0.02 0.00 0.00 176.95 175.23 1bk8 s LYS 43 N 5.73 3.74 -0.43 4.98 -0.14 0.96 0.88 119.74 135.47 1bk8 s LYS 43 Ca 0.54 0.21 -0.28 0.00 -1.36 0.00 0.00 55.97 55.08 1bk8 s LYS 43 Cb -0.11 -3.21 -0.01 0.00 -1.68 0.00 0.00 37.83 32.81 1bk8 s LYS 43 CO 0.24 0.72 1.76 0.00 -0.76 0.00 0.00 175.35 177.31 1bk8 s PHE 45 N 7.33 3.73 0.21 0.00 0.40 0.01 -2.27 117.98 127.40 1bk8 s PHE 45 Ca 0.73 1.28 0.01 0.00 -0.60 0.00 0.00 56.93 58.34 1bk8 s PHE 45 Cb -0.18 -2.51 -0.04 0.00 0.51 0.00 0.00 43.02 40.80 1bk8 s PHE 45 CO 0.30 0.49 0.38 0.00 0.70 0.00 0.00 175.22 177.09 1bk8 s TYR 47 N -1.91 1.23 0.71 0.00 1.51 0.38 -0.20 117.35 119.07 1bk8 s TYR 47 Ca 0.37 -1.26 0.01 0.00 -1.01 0.00 0.00 57.07 55.19 1bk8 s TYR 47 Cb -0.11 -1.31 0.13 0.00 -0.11 0.00 0.00 41.96 40.56 1bk8 s TYR 47 CO 0.30 -0.76 0.97 -0.06 -1.11 0.00 0.00 175.55 174.88 1bk8 s PHE 48 N 1.78 1.39 -1.03 2.71 0.40 -1.11 -0.10 117.98 122.02 1bk8 s PHE 48 Ca 0.05 -0.42 -0.06 0.00 -0.60 0.00 0.00 56.93 55.90 1bk8 s PHE 48 Cb -0.17 -2.83 0.06 0.00 0.51 0.00 0.00 43.02 40.59 1bk8 s PHE 48 CO -0.20 -1.68 0.15 0.27 0.70 0.00 0.00 175.22 174.46 1bk8 n ASN 49 N -2.75 -0.11 -0.10 1.36 6.94 -1.26 -2.97 115.26 116.38 1bk8 n ASN 49 Ca 0.16 -0.78 0.16 0.00 -0.02 0.00 0.00 54.58 54.10 1bk8 n ASN 49 Cb 0.61 -0.98 0.86 0.00 -2.36 0.00 0.00 39.78 37.92 1bk8 n ASN 49 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23