#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 5.37 6.43 0.02 0.00 0.02 -1.26 -4.74 114.94 120.78 1bk8 s ASN 3 Ca 0.61 1.19 -0.30 0.00 -1.02 0.00 0.00 52.86 53.34 1bk8 s ASN 3 Cb 0.08 -2.54 -0.05 0.00 0.02 0.00 0.00 41.25 38.77 1bk8 s ASN 3 CO 0.11 -1.29 1.18 -0.70 0.02 0.00 0.00 177.10 176.43 1bk8 s GLU 4 N 4.65 4.42 -0.01 -0.60 2.12 -1.26 -0.94 118.70 127.08 1bk8 s GLU 4 Ca 0.63 1.71 -0.14 0.00 0.36 0.00 0.00 54.97 57.54 1bk8 s GLU 4 Cb -0.18 -3.42 0.02 0.00 0.26 0.00 0.00 34.13 30.81 1bk8 s GLU 4 CO 0.28 -0.30 0.29 1.03 -0.54 0.00 0.00 175.26 176.02 1bk8 s ARG 5 N 1.40 0.65 0.87 4.30 0.52 0.21 -4.99 118.95 121.90 1bk8 s ARG 5 Ca 0.57 -0.23 -0.12 0.00 -0.52 0.00 0.00 55.73 55.43 1bk8 s ARG 5 Cb -0.27 0.29 0.15 0.00 0.52 0.00 0.00 34.95 35.63 1bk8 s ARG 5 CO 0.27 -0.18 1.21 -1.25 0.02 0.00 0.00 175.30 175.38 1bk8 s PRO 6 N -1.37 1.25 -0.49 3.54 0.04 -1.26 -0.42 135.00 136.30 1bk8 s PRO 6 Ca -0.14 -0.37 -0.37 0.00 0.04 0.00 0.00 61.00 60.17 1bk8 s PRO 6 Cb -0.05 -1.97 -0.15 0.00 0.04 0.00 0.00 34.50 32.37 1bk8 s PRO 6 CO 0.04 -1.97 2.26 -1.13 0.04 0.00 0.00 177.00 176.24 1bk8 n SER 7 N -3.45 1.47 -0.11 6.66 3.41 0.15 -4.63 113.62 117.13 1bk8 n SER 7 Ca 0.13 0.40 -0.19 0.00 -0.26 0.00 0.00 58.87 58.95 1bk8 n SER 7 Cb 0.60 -1.13 -0.09 0.00 -0.26 0.00 0.00 64.21 63.33 1bk8 n SER 7 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1bk8 n GLN 8 N 8.08 0.50 0.05 4.33 6.02 -1.26 -4.72 117.38 130.38 1bk8 n GLN 8 Ca 0.48 0.16 -0.10 0.00 -0.01 0.00 0.00 57.00 57.53 1bk8 n GLN 8 Cb 0.14 -1.37 -0.07 0.00 1.02 0.00 0.00 30.24 29.96 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 -0.34 0.81 -0.24 5.09 1.35 -1.99 -3.39 112.91 114.21 1bk8 h THR 9 Ca -0.51 -1.17 -0.20 0.00 -0.55 0.00 0.00 66.41 63.97 1bk8 h THR 9 Cb 1.63 1.39 -0.01 0.00 -1.73 0.00 0.00 68.15 69.43 1bk8 h THR 9 CO -0.19 0.22 0.64 1.87 -0.25 0.00 0.00 175.52 177.81 1bk8 n TRP 10 N -4.90 1.70 -1.62 4.73 -0.00 -1.26 -4.82 117.44 111.27 1bk8 n TRP 10 Ca -0.07 -0.82 -0.41 0.00 -0.00 0.00 0.00 57.50 56.20 1bk8 n TRP 10 Cb 0.26 -2.49 -0.01 0.00 -0.00 0.00 0.00 31.31 29.07 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 16.51 6.38 0.00 5.87 7.64 -1.26 -4.76 113.62 144.00 1bk8 n SER 11 Ca 0.43 -2.77 0.00 0.00 1.01 0.00 0.00 58.87 57.55 1bk8 n SER 11 Cb 0.46 -1.58 0.00 0.00 -1.01 0.00 0.00 64.21 62.08 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 3.60 -0.63 3.92 0.23 0.00 -1.26 -5.16 105.19 105.87 1bk8 n GLY 12 Ca 0.63 -0.62 -0.26 0.00 0.00 0.00 0.00 46.02 45.77 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 6.25 0.03 1.61 2.47 -1.26 -4.79 114.94 115.25 1bk8 s ASN 13 Ca 0.00 0.78 0.06 0.00 0.42 0.00 0.00 52.86 54.13 1bk8 s ASN 13 Cb 0.00 -2.17 -0.03 0.00 -1.45 0.00 0.00 41.25 37.60 1bk8 s ASN 13 CO 0.00 -0.52 -0.15 0.00 -3.72 0.00 0.00 177.10 172.72 1bk8 n GLY 15 N 1.53 -0.03 3.23 0.00 0.00 -1.26 -4.73 105.19 103.93 1bk8 n GLY 15 Ca -0.16 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.47 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 -3.08 3.44 -0.01 1.61 2.85 -1.26 -4.74 115.26 114.06 1bk8 n ASN 16 Ca 0.00 -2.77 0.18 0.00 -0.11 0.00 0.00 54.58 51.88 1bk8 n ASN 16 Cb 0.30 -1.51 0.64 0.00 1.24 0.00 0.00 39.78 40.45 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 4.99 0.78 0.00 -0.44 1.03 -1.97 0.13 112.91 117.42 1bk8 h THR 17 Ca 0.41 -0.03 -0.03 0.00 -0.01 0.00 0.00 66.41 66.75 1bk8 h THR 17 Cb 0.77 0.67 -0.00 0.00 -1.07 0.00 0.00 68.15 68.52 1bk8 h THR 17 CO 1.67 0.02 -0.13 0.00 -0.01 0.00 0.00 175.52 177.07 1bk8 h ALA 18 N 1.74 1.19 0.00 0.00 0.00 -1.97 -0.23 119.26 119.98 1bk8 h ALA 18 Ca 0.25 -0.11 -0.00 0.00 0.00 0.00 0.00 54.91 55.05 1bk8 h ALA 18 Cb 0.88 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.65 1bk8 h ALA 18 CO -0.02 0.16 -0.00 1.25 0.00 0.00 0.00 179.25 180.63 1bk8 h HIS 19 N 0.00 -0.00 -0.89 0.00 6.17 -1.21 -3.36 115.15 115.87 1bk8 h HIS 19 Ca -0.00 -0.00 0.24 0.00 0.71 0.00 0.00 60.37 61.32 1bk8 h HIS 19 Cb 0.42 0.00 -0.15 0.00 2.52 0.00 0.00 27.41 30.20 1bk8 h HIS 19 CO 0.00 0.88 0.17 0.00 0.71 0.00 0.00 177.93 179.70 1bk8 h ASP 21 N 0.15 0.99 0.45 0.00 3.58 -1.22 -0.63 116.42 119.73 1bk8 h ASP 21 Ca 0.55 -0.17 -0.02 0.00 0.42 0.00 0.00 57.03 57.81 1bk8 h ASP 21 Cb 1.13 -0.26 0.00 0.00 1.72 0.00 0.00 39.33 41.93 1bk8 h ASP 21 CO -0.71 0.91 -0.21 0.11 -2.88 0.00 0.00 179.24 176.45 1bk8 h LYS 22 N 1.03 -0.58 -0.60 0.28 1.57 -0.66 -3.24 116.57 114.37 1bk8 h LYS 22 Ca 0.23 0.04 0.12 0.00 -1.87 0.00 0.00 60.65 59.17 1bk8 h LYS 22 Cb 0.26 0.13 -0.12 0.00 0.08 0.00 0.00 32.23 32.59 1bk8 h LYS 22 CO -0.01 -0.28 -0.23 0.37 -0.57 0.00 0.00 179.45 178.73 1bk8 h GLN 23 N -0.84 -0.07 -0.68 3.15 5.75 -0.48 0.29 115.11 122.23 1bk8 h GLN 23 Ca -0.06 0.00 0.07 0.00 -0.15 0.00 0.00 58.65 58.51 1bk8 h GLN 23 Cb 0.56 0.02 -0.04 0.00 1.07 0.00 0.00 27.48 29.09 1bk8 h GLN 23 CO 0.10 -0.05 0.45 0.00 -2.65 0.00 0.00 178.83 176.68 1bk8 h GLN 25 N 0.67 -0.06 0.38 0.00 4.20 -0.75 0.74 115.11 120.29 1bk8 h GLN 25 Ca 0.29 0.00 -0.01 0.00 0.06 0.00 0.00 58.65 59.00 1bk8 h GLN 25 Cb 0.30 0.01 -0.01 0.00 0.30 0.00 0.00 27.48 28.08 1bk8 h GLN 25 CO -0.09 -0.04 -0.30 -0.44 -0.67 0.00 0.00 178.83 177.29 1bk8 h ASP 26 N -0.76 -0.78 0.00 1.46 3.32 -0.50 -3.37 116.42 115.79 1bk8 h ASP 26 Ca -0.01 0.06 0.00 0.00 0.02 0.00 0.00 57.03 57.10 1bk8 h ASP 26 Cb 0.05 0.25 0.00 0.00 0.22 0.00 0.00 39.33 39.85 1bk8 h ASP 26 CO 0.01 -0.44 0.00 0.79 -1.72 0.00 0.00 179.24 177.88 1bk8 n TRP 27 N -5.42 0.00 0.00 4.55 7.02 0.12 -4.84 117.44 118.86 1bk8 n TRP 27 Ca -0.10 0.00 -0.12 0.00 -1.02 0.00 0.00 57.50 56.26 1bk8 n TRP 27 Cb 0.32 -0.22 -0.09 0.00 -2.42 0.00 0.00 31.31 28.90 1bk8 n TRP 27 CO 0.00 0.00 0.00 1.49 -2.02 0.00 0.00 177.69 177.16 1bk8 h GLU 28 N 0.00 -0.09 0.00 -0.99 4.81 -1.22 -3.47 114.58 113.62 1bk8 h GLU 28 Ca 0.00 0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.24 1bk8 h GLU 28 Cb 0.00 0.02 0.00 0.00 0.63 0.00 0.00 28.75 29.40 1bk8 h GLU 28 CO 0.00 0.48 0.00 1.63 -0.73 0.00 0.00 179.01 180.39 1bk8 n LYS 29 N -4.82 0.00 -4.22 1.92 4.76 0.06 -5.04 118.16 110.81 1bk8 n LYS 29 Ca -0.08 0.00 -0.13 0.00 -2.87 0.00 0.00 58.31 55.23 1bk8 n LYS 29 Cb 0.30 0.00 -0.10 0.00 -1.84 0.00 0.00 35.03 33.39 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 0.00 1.25 0.23 7.82 0.00 -0.06 -4.87 121.76 126.13 1bk8 s ALA 30 Ca 0.00 -1.56 -0.07 0.00 0.00 0.00 0.00 51.96 50.33 1bk8 s ALA 30 Cb 0.00 0.59 0.29 0.00 0.00 0.00 0.00 23.12 24.00 1bk8 s ALA 30 CO 0.00 -0.35 1.86 0.77 0.00 0.00 0.00 175.76 178.04 1bk8 h SER 31 N 2.73 0.82 -2.59 0.00 0.02 0.70 -3.35 113.55 111.88 1bk8 h SER 31 Ca -0.36 0.01 0.07 0.00 -0.84 0.00 0.00 61.79 60.66 1bk8 h SER 31 Cb 1.20 -0.17 -0.01 0.00 0.14 0.00 0.00 62.40 63.57 1bk8 h SER 31 CO 0.62 0.54 0.41 0.00 -1.14 0.00 0.00 176.83 177.27 1bk8 n HIS 32 N -4.62 -1.75 -4.24 3.45 1.44 -1.18 -4.85 115.22 103.47 1bk8 n HIS 32 Ca 0.11 -1.43 -0.13 0.00 -2.01 0.00 0.00 57.72 54.26 1bk8 n HIS 32 Cb 0.14 0.71 -0.10 0.00 0.12 0.00 0.00 29.99 30.85 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 -3.13 1.42 -0.29 -1.39 0.00 -1.23 -0.99 107.32 101.71 1bk8 s GLY 33 Ca 0.18 -1.70 -0.20 0.00 0.00 0.00 0.00 44.72 43.00 1bk8 s GLY 33 CO 0.08 -1.48 1.08 0.00 0.00 0.00 0.00 173.10 172.77 1bk8 s ALA 34 N -3.91 -2.20 0.41 3.20 0.00 0.41 -4.07 121.76 115.61 1bk8 s ALA 34 Ca 0.33 2.01 -0.13 0.00 0.00 0.00 0.00 51.96 54.17 1bk8 s ALA 34 Cb 0.07 -1.65 -0.07 0.00 0.00 0.00 0.00 23.12 21.47 1bk8 s ALA 34 CO 0.09 -0.27 0.81 0.00 0.00 0.00 0.00 175.76 176.39 1bk8 s HIS 36 N -2.34 -0.17 -0.21 0.00 3.76 0.07 -4.90 115.29 111.51 1bk8 s HIS 36 Ca 0.54 -0.02 -0.26 0.00 -0.15 0.00 0.00 55.06 55.17 1bk8 s HIS 36 Cb -0.10 0.17 -0.01 0.00 1.11 0.00 0.00 32.58 33.76 1bk8 s HIS 36 CO 0.28 -0.59 0.88 0.21 -0.85 0.00 0.00 174.74 174.67 1bk8 s LYS 37 N -3.01 4.25 -0.04 1.40 2.20 -1.26 -0.42 119.74 122.85 1bk8 s LYS 37 Ca -0.02 1.07 -0.01 0.00 -0.36 0.00 0.00 55.97 56.65 1bk8 s LYS 37 Cb 0.01 -3.62 0.03 0.00 -1.51 0.00 0.00 37.83 32.74 1bk8 s LYS 37 CO -0.06 -0.47 0.08 0.50 -0.36 0.00 0.00 175.35 175.04 1bk8 s ARG 38 N 2.66 -0.01 -1.48 4.03 6.06 0.20 -4.77 118.95 125.64 1bk8 s ARG 38 Ca 0.38 0.32 -0.13 0.00 -2.50 0.00 0.00 55.73 53.80 1bk8 s ARG 38 Cb -0.16 -0.29 0.10 0.00 0.06 0.00 0.00 34.95 34.66 1bk8 s ARG 38 CO 0.09 -0.22 0.72 0.39 -2.50 0.00 0.00 175.30 173.78 1bk8 n GLU 39 N 4.55 -4.04 -1.64 5.12 -0.58 -1.26 -0.56 120.64 122.23 1bk8 n GLU 39 Ca -0.20 0.50 -0.21 0.00 -0.42 0.00 0.00 57.16 56.84 1bk8 n GLU 39 Cb 0.50 -5.28 -0.09 0.00 -0.57 0.00 0.00 31.44 26.00 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 -2.55 -5.53 -4.20 1.62 5.15 -1.26 -4.99 115.26 103.50 1bk8 n ASN 40 Ca 0.02 0.50 -0.32 0.00 -0.60 0.00 0.00 54.58 54.18 1bk8 n ASN 40 Cb 0.53 -4.85 -0.17 0.00 -0.53 0.00 0.00 39.78 34.76 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 -2.78 2.53 -0.65 1.20 3.76 0.27 -5.08 115.29 114.54 1bk8 s HIS 41 Ca 0.00 -1.08 -0.27 0.00 -0.15 0.00 0.00 55.06 53.56 1bk8 s HIS 41 Cb 0.00 -1.70 0.01 0.00 1.11 0.00 0.00 32.58 32.00 1bk8 s HIS 41 CO 0.00 -0.45 1.54 -1.58 -0.85 0.00 0.00 174.74 173.40 1bk8 s TRP 42 N 0.44 2.04 -0.15 1.40 0.52 -1.26 -0.63 118.94 121.31 1bk8 s TRP 42 Ca -0.17 0.38 -0.12 0.00 0.02 0.00 0.00 56.10 56.22 1bk8 s TRP 42 Cb -0.17 -4.37 -0.05 0.00 -1.15 0.00 0.00 33.47 27.73 1bk8 s TRP 42 CO 0.07 -2.16 0.24 0.15 0.02 0.00 0.00 176.95 175.26 1bk8 s LYS 43 N 6.18 4.08 0.25 4.98 -0.14 0.44 0.43 119.74 135.96 1bk8 s LYS 43 Ca 0.51 0.01 -0.31 0.00 -1.36 0.00 0.00 55.97 54.82 1bk8 s LYS 43 Cb -0.11 -3.37 -0.11 0.00 -1.68 0.00 0.00 37.83 32.56 1bk8 s LYS 43 CO 0.19 0.38 1.64 0.00 -0.76 0.00 0.00 175.35 176.81 1bk8 s PHE 45 N 0.59 1.94 0.11 0.00 0.40 -0.23 0.32 117.98 121.11 1bk8 s PHE 45 Ca 0.69 -0.41 0.09 0.00 -0.60 0.00 0.00 56.93 56.69 1bk8 s PHE 45 Cb -0.48 -1.03 -0.04 0.00 0.51 0.00 0.00 43.02 41.98 1bk8 s PHE 45 CO 0.40 0.28 -0.23 0.00 0.70 0.00 0.00 175.22 176.36 1bk8 s TYR 47 N -1.10 2.66 0.00 0.00 1.51 -0.16 -0.62 117.35 119.63 1bk8 s TYR 47 Ca 0.10 -2.21 0.00 0.00 -1.01 0.00 0.00 57.07 53.94 1bk8 s TYR 47 Cb -0.10 -2.13 0.00 0.00 -0.11 0.00 0.00 41.96 39.62 1bk8 s TYR 47 CO 0.05 -0.88 0.01 1.19 -1.11 0.00 0.00 175.55 174.81 1bk8 n PHE 48 N 4.58 0.00 -1.31 2.71 3.01 -0.11 -0.58 117.46 125.75 1bk8 n PHE 48 Ca -0.02 0.00 -0.23 0.00 1.01 0.00 0.00 57.45 58.20 1bk8 n PHE 48 Cb 0.43 0.00 -0.05 0.00 -0.01 0.00 0.00 39.48 39.85 1bk8 n PHE 48 CO 0.00 0.00 0.00 0.27 1.01 0.00 0.00 176.76 178.04 1bk8 n ASN 49 N -0.21 6.36 0.00 4.37 0.23 -1.21 -1.16 115.26 123.64 1bk8 n ASN 49 Ca 0.00 -3.11 0.11 0.00 -0.53 0.00 0.00 54.58 51.05 1bk8 n ASN 49 Cb 0.00 -1.21 0.63 0.00 -2.08 0.00 0.00 39.78 37.12 1bk8 n ASN 49 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33