#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 8.06 0.23 -3.54 0.00 4.13 -1.26 -4.75 115.26 118.13 1bk8 n ASN 3 Ca 0.43 -1.39 -0.35 0.00 1.68 0.00 0.00 54.58 54.94 1bk8 n ASN 3 Cb 0.47 -0.12 0.03 0.00 -1.54 0.00 0.00 39.78 38.62 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 -1.87 -4.36 3.52 2.13 -1.23 -4.87 120.64 113.68 1bk8 n GLU 4 Ca 0.00 1.33 -0.32 0.00 0.66 0.00 0.00 57.16 58.82 1bk8 n GLU 4 Cb 0.06 -2.24 -0.09 0.00 0.27 0.00 0.00 31.44 29.43 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 -2.93 2.70 1.43 5.31 6.06 0.58 -4.94 118.95 127.15 1bk8 s ARG 5 Ca 0.31 -0.65 -0.23 0.00 -2.50 0.00 0.00 55.73 52.66 1bk8 s ARG 5 Cb -0.03 -2.61 0.36 0.00 0.06 0.00 0.00 34.95 32.73 1bk8 s ARG 5 CO 0.88 0.62 0.83 -2.30 -2.50 0.00 0.00 175.30 172.82 1bk8 n PRO 6 N 1.49 -4.58 -1.61 5.12 -0.02 -1.26 -0.43 135.00 133.71 1bk8 n PRO 6 Ca -0.15 -1.36 -0.39 0.00 -2.02 0.00 0.00 63.50 59.58 1bk8 n PRO 6 Cb 0.53 -1.88 -0.03 0.00 -0.02 0.00 0.00 33.50 32.09 1bk8 n PRO 6 CO 0.00 0.00 0.00 -1.54 1.98 0.00 0.00 175.50 175.94 1bk8 s SER 7 N -2.95 4.93 0.00 2.55 1.04 0.29 -4.24 113.70 115.33 1bk8 s SER 7 Ca 0.64 1.40 0.00 0.00 0.48 0.00 0.00 55.95 58.47 1bk8 s SER 7 Cb -0.12 -2.51 0.00 0.00 0.10 0.00 0.00 66.02 63.49 1bk8 s SER 7 CO 0.54 -2.44 0.00 0.00 0.98 0.00 0.00 173.24 172.32 1bk8 n GLN 8 N 8.90 0.00 0.08 4.02 6.02 -1.26 -4.24 117.38 130.90 1bk8 n GLN 8 Ca 0.33 0.00 0.11 0.00 -0.01 0.00 0.00 57.00 57.43 1bk8 n GLN 8 Cb 0.50 -0.01 0.44 0.00 1.02 0.00 0.00 30.24 32.19 1bk8 n GLN 8 CO 0.00 0.00 0.00 0.25 -1.01 0.00 0.00 177.06 176.30 1bk8 n THR 9 N -0.16 0.77 -0.22 5.09 -2.24 -1.26 -0.77 114.28 115.49 1bk8 n THR 9 Ca 0.00 0.14 -0.06 0.00 -2.27 0.00 0.00 64.05 61.85 1bk8 n THR 9 Cb 0.00 -0.97 0.08 0.00 -2.10 0.00 0.00 70.33 67.34 1bk8 n THR 9 CO 0.00 0.00 0.00 -0.25 -0.57 0.00 0.00 175.07 174.25 1bk8 h TRP 10 N 0.00 1.11 -6.89 4.78 2.91 -1.95 -3.48 115.95 112.43 1bk8 h TRP 10 Ca 0.00 -0.14 -0.54 0.00 1.13 0.00 0.00 58.89 59.34 1bk8 h TRP 10 Cb 0.40 -0.31 -0.01 0.00 -0.51 0.00 0.00 29.16 28.73 1bk8 h TRP 10 CO 0.00 0.92 -1.00 0.43 -1.03 0.00 0.00 178.44 177.76 1bk8 n SER 11 N -4.23 -4.10 0.00 2.65 7.64 0.05 -4.87 113.62 110.76 1bk8 n SER 11 Ca 0.05 -1.13 0.00 0.00 1.01 0.00 0.00 58.87 58.79 1bk8 n SER 11 Cb 0.27 -1.50 0.00 0.00 -1.01 0.00 0.00 64.21 61.97 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 -1.88 -0.59 3.86 0.23 0.00 -1.26 -5.12 105.19 100.43 1bk8 n GLY 12 Ca -0.18 -0.81 -0.32 0.00 0.00 0.00 0.00 46.02 44.71 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 6.68 0.75 1.61 2.47 -1.26 -4.65 114.94 116.54 1bk8 s ASN 13 Ca 0.00 1.13 -0.15 0.00 0.42 0.00 0.00 52.86 54.25 1bk8 s ASN 13 Cb 0.00 -2.31 0.00 0.00 -1.45 0.00 0.00 41.25 37.49 1bk8 s ASN 13 CO 0.00 -0.19 0.83 0.00 -3.72 0.00 0.00 177.10 174.01 1bk8 n GLY 15 N 1.22 -0.04 2.95 0.00 0.00 -1.26 -5.01 105.19 103.04 1bk8 n GLY 15 Ca 0.12 0.00 -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 -5.14 0.13 0.47 1.61 3.84 -1.26 -5.04 114.94 109.54 1bk8 s ASN 16 Ca 0.00 0.40 0.19 0.00 0.21 0.00 0.00 52.86 53.67 1bk8 s ASN 16 Cb 0.00 0.33 1.16 0.00 -0.55 0.00 0.00 41.25 42.20 1bk8 s ASN 16 CO 0.00 -0.19 2.02 0.00 -2.79 0.00 0.00 177.10 176.14 1bk8 h THR 17 N 6.13 0.93 -0.08 -5.21 1.03 -1.97 0.80 112.91 114.54 1bk8 h THR 17 Ca -0.31 -0.62 0.01 0.00 -0.01 0.00 0.00 66.41 65.48 1bk8 h THR 17 Cb 1.13 1.35 -0.01 0.00 -1.07 0.00 0.00 68.15 69.56 1bk8 h THR 17 CO 0.30 0.17 0.01 0.00 -0.01 0.00 0.00 175.52 175.98 1bk8 h ALA 18 N 1.83 0.07 -0.69 0.00 0.00 -1.96 -0.16 119.26 118.35 1bk8 h ALA 18 Ca -0.00 0.02 -0.07 0.00 0.00 0.00 0.00 54.91 54.85 1bk8 h ALA 18 Cb 0.34 0.03 -0.03 0.00 0.00 0.00 0.00 17.79 18.13 1bk8 h ALA 18 CO 0.02 -0.46 0.14 1.25 0.00 0.00 0.00 179.25 180.20 1bk8 h HIS 19 N 0.04 1.18 -0.45 0.00 6.17 -1.60 -0.06 115.15 120.43 1bk8 h HIS 19 Ca 0.04 -0.15 0.09 0.00 0.71 0.00 0.00 60.37 61.06 1bk8 h HIS 19 Cb 0.04 -0.33 -0.08 0.00 2.52 0.00 0.00 27.41 29.55 1bk8 h HIS 19 CO -0.11 0.97 -0.10 0.00 0.71 0.00 0.00 177.93 179.39 1bk8 h ASP 21 N 0.01 0.29 -0.04 0.00 3.58 -0.43 0.03 116.42 119.86 1bk8 h ASP 21 Ca 0.22 -0.15 0.03 0.00 0.42 0.00 0.00 57.03 57.55 1bk8 h ASP 21 Cb 0.33 -0.08 -0.06 0.00 1.72 0.00 0.00 39.33 41.25 1bk8 h ASP 21 CO -0.46 0.37 -0.44 0.11 -2.88 0.00 0.00 179.24 175.93 1bk8 h LYS 22 N 0.20 -0.55 -0.21 0.28 1.57 -0.47 -0.71 116.57 116.69 1bk8 h LYS 22 Ca 0.07 0.04 0.05 0.00 -1.87 0.00 0.00 60.65 58.94 1bk8 h LYS 22 Cb 0.16 0.13 -0.05 0.00 0.08 0.00 0.00 32.23 32.54 1bk8 h LYS 22 CO -0.01 -0.37 -0.11 1.96 -0.57 0.00 0.00 179.45 180.35 1bk8 h GLN 23 N -0.57 -0.09 -0.76 3.15 1.08 -0.50 0.39 115.11 117.81 1bk8 h GLN 23 Ca 0.05 0.01 0.09 0.00 -1.45 0.00 0.00 58.65 57.35 1bk8 h GLN 23 Cb 0.66 0.02 -0.07 0.00 -0.05 0.00 0.00 27.48 28.04 1bk8 h GLN 23 CO -0.35 -0.06 0.41 0.00 -0.95 0.00 0.00 178.83 177.88 1bk8 h GLN 25 N 0.69 -0.22 0.39 0.00 4.20 -0.57 0.19 115.11 119.79 1bk8 h GLN 25 Ca 0.37 0.02 -0.01 0.00 0.06 0.00 0.00 58.65 59.08 1bk8 h GLN 25 Cb 0.35 0.05 -0.01 0.00 0.30 0.00 0.00 27.48 28.17 1bk8 h GLN 25 CO -0.25 -0.15 -0.30 -0.44 -0.67 0.00 0.00 178.83 177.02 1bk8 h ASP 26 N -0.67 -0.79 0.00 1.46 3.32 -0.19 -3.24 116.42 116.32 1bk8 h ASP 26 Ca -0.02 0.06 0.00 0.00 0.02 0.00 0.00 57.03 57.09 1bk8 h ASP 26 Cb 0.18 0.25 0.00 0.00 0.22 0.00 0.00 39.33 39.98 1bk8 h ASP 26 CO 0.04 -0.45 -0.02 -0.50 -1.72 0.00 0.00 179.24 176.59 1bk8 h TRP 27 N -0.69 0.00 0.28 4.55 4.06 -0.39 -3.44 115.95 120.32 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 0.60 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.76 1bk8 h TRP 27 CO -0.14 0.00 -0.14 1.49 -3.56 0.00 0.00 178.44 176.09 1bk8 h GLU 28 N -0.33 -0.37 0.00 0.49 4.57 -0.84 -3.48 114.58 114.63 1bk8 h GLU 28 Ca 0.00 0.03 0.00 0.00 -1.18 0.00 0.00 59.36 58.21 1bk8 h GLU 28 Cb 0.02 0.08 0.00 0.00 -0.16 0.00 0.00 28.75 28.69 1bk8 h GLU 28 CO 0.00 -0.10 0.00 1.63 -1.18 0.00 0.00 179.01 179.36 1bk8 n LYS 29 N -5.03 0.00 -3.49 1.92 4.76 0.06 -5.03 118.16 111.34 1bk8 n LYS 29 Ca -0.07 0.00 -0.23 0.00 -2.87 0.00 0.00 58.31 55.14 1bk8 n LYS 29 Cb 0.22 0.00 -0.01 0.00 -1.84 0.00 0.00 35.03 33.40 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 3.77 0.16 7.82 0.00 0.44 -4.83 121.76 128.87 1bk8 s ALA 30 Ca 0.00 -1.01 -0.14 0.00 0.00 0.00 0.00 51.96 50.82 1bk8 s ALA 30 Cb 0.00 -2.01 0.04 0.00 0.00 0.00 0.00 23.12 21.15 1bk8 s ALA 30 CO 0.00 0.02 1.74 0.77 0.00 0.00 0.00 175.76 178.28 1bk8 h SER 31 N 0.83 0.67 -5.07 0.00 0.02 -0.53 -3.38 113.55 106.08 1bk8 h SER 31 Ca -0.50 -0.13 -0.04 0.00 -0.84 0.00 0.00 61.79 60.28 1bk8 h SER 31 Cb 1.22 -0.17 -0.02 0.00 0.14 0.00 0.00 62.40 63.57 1bk8 h SER 31 CO 0.61 0.61 0.19 -1.38 -1.14 0.00 0.00 176.83 175.73 1bk8 s HIS 32 N -5.69 0.19 0.31 3.45 -3.43 -1.18 -4.90 115.29 104.05 1bk8 s HIS 32 Ca -0.13 -0.77 0.05 0.00 -0.80 0.00 0.00 55.06 53.41 1bk8 s HIS 32 Cb 0.12 0.68 -0.06 0.00 -1.43 0.00 0.00 32.58 31.88 1bk8 s HIS 32 CO 0.77 -1.44 -0.00 0.20 -2.00 0.00 0.00 174.74 172.26 1bk8 s GLY 33 N -3.06 2.00 -0.28 -1.38 0.00 -1.26 -1.00 107.32 102.34 1bk8 s GLY 33 Ca 0.17 -2.01 -0.24 0.00 0.00 0.00 0.00 44.72 42.64 1bk8 s GLY 33 CO 0.12 -1.86 0.94 0.00 0.00 0.00 0.00 173.10 172.30 1bk8 s ALA 34 N -3.09 -1.95 0.35 3.20 0.00 0.39 -4.25 121.76 116.40 1bk8 s ALA 34 Ca 0.33 1.97 -0.19 0.00 0.00 0.00 0.00 51.96 54.06 1bk8 s ALA 34 Cb 0.06 -1.41 -0.10 0.00 0.00 0.00 0.00 23.12 21.68 1bk8 s ALA 34 CO 0.14 -0.27 0.84 0.00 0.00 0.00 0.00 175.76 176.46 1bk8 s HIS 36 N -1.94 0.02 -0.19 0.00 3.76 0.39 -4.91 115.29 112.41 1bk8 s HIS 36 Ca 0.55 -0.16 -0.26 0.00 -0.15 0.00 0.00 55.06 55.04 1bk8 s HIS 36 Cb -0.12 -0.01 -0.01 0.00 1.11 0.00 0.00 32.58 33.55 1bk8 s HIS 36 CO 0.17 -0.39 0.88 0.21 -0.85 0.00 0.00 174.74 174.75 1bk8 s LYS 37 N -2.13 4.27 -0.14 1.40 2.20 -1.26 -0.21 119.74 123.87 1bk8 s LYS 37 Ca -0.08 1.08 -0.02 0.00 -0.36 0.00 0.00 55.97 56.59 1bk8 s LYS 37 Cb -0.03 -3.60 0.04 0.00 -1.51 0.00 0.00 37.83 32.74 1bk8 s LYS 37 CO -0.01 -0.42 0.00 0.50 -0.36 0.00 0.00 175.35 175.06 1bk8 s ARG 38 N 2.46 0.80 -1.58 4.03 6.06 0.30 -4.75 118.95 126.25 1bk8 s ARG 38 Ca 0.39 -0.24 -0.15 0.00 -2.50 0.00 0.00 55.73 53.23 1bk8 s ARG 38 Cb -0.16 -1.67 0.10 0.00 0.06 0.00 0.00 34.95 33.29 1bk8 s ARG 38 CO 0.11 -0.47 0.94 0.39 -2.50 0.00 0.00 175.30 173.77 1bk8 n GLU 39 N 5.05 -4.97 -1.55 5.12 1.02 -1.26 -0.48 120.64 123.57 1bk8 n GLU 39 Ca -0.09 0.54 -0.18 0.00 -0.02 0.00 0.00 57.16 57.42 1bk8 n GLU 39 Cb 0.48 -5.40 -0.07 0.00 -0.02 0.00 0.00 31.44 26.43 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 -2.79 -5.15 -4.14 1.62 5.15 -1.26 -5.00 115.26 103.69 1bk8 n ASN 40 Ca 0.05 0.42 -0.32 0.00 -0.60 0.00 0.00 54.58 54.13 1bk8 n ASN 40 Cb 0.52 -4.22 -0.16 0.00 -0.53 0.00 0.00 39.78 35.38 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 -2.67 2.67 -0.49 1.20 3.76 0.37 -5.09 115.29 115.05 1bk8 s HIS 41 Ca 0.00 -1.46 -0.28 0.00 -0.15 0.00 0.00 55.06 53.16 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 -0.70 1.40 -1.58 -0.85 0.00 0.00 174.74 173.01 1bk8 s TRP 42 N 1.06 2.36 -0.12 1.40 0.52 -1.26 -0.54 118.94 122.36 1bk8 s TRP 42 Ca -0.01 0.58 -0.03 0.00 0.02 0.00 0.00 56.10 56.66 1bk8 s TRP 42 Cb -0.14 -4.36 -0.03 0.00 -1.15 0.00 0.00 33.47 27.79 1bk8 s TRP 42 CO -0.07 -1.94 0.01 0.15 0.02 0.00 0.00 176.95 175.12 1bk8 s LYS 43 N 5.21 3.31 0.30 4.98 -0.14 0.70 0.01 119.74 134.12 1bk8 s LYS 43 Ca 0.56 -0.40 -0.30 0.00 -1.36 0.00 0.00 55.97 54.48 1bk8 s LYS 43 Cb -0.12 -2.91 -0.12 0.00 -1.68 0.00 0.00 37.83 33.00 1bk8 s LYS 43 CO 0.29 0.55 1.54 0.00 -0.76 0.00 0.00 175.35 176.96 1bk8 s PHE 45 N -0.24 1.79 0.22 0.00 0.40 0.09 -0.54 117.98 119.69 1bk8 s PHE 45 Ca 0.62 -0.42 0.10 0.00 -0.60 0.00 0.00 56.93 56.63 1bk8 s PHE 45 Cb -0.52 -0.97 -0.04 0.00 0.51 0.00 0.00 43.02 42.00 1bk8 s PHE 45 CO 0.52 0.21 -0.11 0.00 0.70 0.00 0.00 175.22 176.55 1bk8 s TYR 47 N -2.01 0.78 0.00 0.00 1.51 -0.17 -0.31 117.35 117.15 1bk8 s TYR 47 Ca 0.27 -0.97 0.00 0.00 -1.01 0.00 0.00 57.07 55.36 1bk8 s TYR 47 Cb -0.07 -1.08 0.00 0.00 -0.11 0.00 0.00 41.96 40.70 1bk8 s TYR 47 CO 0.16 -0.73 0.00 1.19 -1.11 0.00 0.00 175.55 175.06 1bk8 n PHE 48 N 5.12 0.00 -1.16 2.71 3.72 -1.26 -0.25 117.46 126.33 1bk8 n PHE 48 Ca -0.06 0.00 -0.20 0.00 -0.05 0.00 0.00 57.45 57.14 1bk8 n PHE 48 Cb 0.44 0.00 -0.03 0.00 -0.94 0.00 0.00 39.48 38.96 1bk8 n PHE 48 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 176.76 176.80 1bk8 n ASN 49 N -0.10 6.32 0.00 4.37 3.02 -1.18 -3.04 115.26 124.65 1bk8 n ASN 49 Ca 0.00 -3.05 0.02 0.00 -0.03 0.00 0.00 54.58 51.51 1bk8 n ASN 49 Cb 0.00 -1.18 0.09 0.00 -0.61 0.00 0.00 39.78 38.08 1bk8 n ASN 49 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64