#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2bic s ASP 2 N 0.00 6.95 -0.15 1.62 1.01 -1.26 -5.03 116.67 119.81 2bic s ASP 2 Ca 0.00 1.24 -0.29 0.00 0.71 0.00 0.00 52.55 54.21 2bic s ASP 2 Cb 0.00 -2.35 -0.01 0.00 1.01 0.00 0.00 42.92 41.57 2bic s ASP 2 CO 0.00 0.09 1.18 -2.16 0.21 0.00 0.00 175.17 174.49 2bic s PRO 3 N -1.87 4.28 -0.38 8.23 0.04 -1.26 -4.99 135.00 139.05 2bic s PRO 3 Ca 0.39 1.57 -0.21 0.00 0.04 0.00 0.00 61.00 62.79 2bic s PRO 3 Cb -0.16 -3.68 0.01 0.00 0.04 0.00 0.00 34.50 30.71 2bic s PRO 3 CO 0.20 -0.61 0.69 -1.17 0.04 0.00 0.00 177.00 176.15 2bic s LEU 4 N 3.05 4.26 -1.22 -3.56 2.96 -1.26 -4.97 118.68 117.94 2bic s LEU 4 Ca 0.52 0.10 -0.12 0.00 -0.22 0.00 0.00 54.13 54.41 2bic s LEU 4 Cb -0.20 -2.85 0.18 0.00 0.50 0.00 0.00 46.19 43.81 2bic s LEU 4 CO 0.14 -0.68 1.51 -1.22 -1.32 0.00 0.00 176.35 174.78 2bic n TYR 5 N 6.23 4.48 -0.61 5.38 4.01 -1.26 -4.89 117.16 130.50 2bic n TYR 5 Ca 0.00 -3.26 -0.27 0.00 -0.16 0.00 0.00 57.90 54.21 2bic n TYR 5 Cb 0.48 -2.08 -0.05 0.00 -0.31 0.00 0.00 39.34 37.39 2bic n TYR 5 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 2bic s GLN 7 N 2.28 2.46 0.90 0.00 0.74 -1.26 -4.89 119.66 119.89 2bic s GLN 7 Ca 0.51 -3.08 -0.12 0.00 0.05 0.00 0.00 55.36 52.72 2bic s GLN 7 Cb -0.66 -3.50 0.13 0.00 1.10 0.00 0.00 33.01 30.08 2bic s GLN 7 CO 0.31 -1.23 1.13 0.00 -0.55 0.00 0.00 175.29 174.95 2bic s ALA 8 N -1.02 1.83 -0.48 1.58 0.00 -1.26 -4.93 121.76 117.47 2bic s ALA 8 Ca 0.22 -0.47 -0.28 0.00 0.00 0.00 0.00 51.96 51.43 2bic s ALA 8 Cb -0.12 -3.05 -0.01 0.00 0.00 0.00 0.00 23.12 19.95 2bic s ALA 8 CO -0.10 -2.21 1.65 -1.50 0.00 0.00 0.00 175.76 173.59 2bic s ILE 9 N -3.25 3.59 0.00 0.00 1.10 -1.26 -3.58 121.20 117.80 2bic s ILE 9 Ca 0.63 0.52 0.00 0.00 -0.51 0.00 0.00 60.65 61.30 2bic s ILE 9 Cb -0.15 -4.03 0.00 0.00 0.15 0.00 0.00 42.46 38.43 2bic s ILE 9 CO 0.53 -0.81 0.00 0.61 -2.11 0.00 0.00 174.94 173.16 2bic n GLY 10 N 5.40 2.40 2.12 1.50 0.00 -1.26 -4.37 105.19 110.98 2bic n GLY 10 Ca 0.18 -0.70 -0.25 0.00 0.00 0.00 0.00 46.02 45.25 2bic n GLY 10 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2bic n PRO 12 N 1.25 0.52 -2.32 0.00 -0.02 -1.26 -4.63 135.00 128.54 2bic n PRO 12 Ca 0.03 0.19 -0.26 0.00 -2.02 0.00 0.00 63.50 61.43 2bic n PRO 12 Cb 0.34 -1.35 0.14 0.00 -0.02 0.00 0.00 33.50 32.61 2bic n PRO 12 CO 0.00 0.00 0.00 -0.08 1.98 0.00 0.00 175.50 177.40 2bic s THR 13 N -1.14 2.08 0.28 3.45 -1.32 -1.26 -4.62 115.64 113.10 2bic s THR 13 Ca 0.62 -0.35 0.01 0.00 -1.21 0.00 0.00 61.69 60.76 2bic s THR 13 Cb -0.78 -2.73 0.27 0.00 -1.51 0.00 0.00 72.50 67.75 2bic s THR 13 CO 0.58 0.00 1.83 0.25 -2.21 0.00 0.00 174.62 175.07 2bic h LEU 14 N -0.98 0.88 -7.87 9.08 5.85 -1.92 -3.22 115.31 117.12 2bic h LEU 14 Ca -0.40 0.05 -0.68 0.00 0.84 0.00 0.00 57.88 57.69 2bic h LEU 14 Cb 1.25 -0.12 -0.10 0.00 0.37 0.00 0.00 40.66 42.06 2bic h LEU 14 CO 0.40 0.47 1.92 -0.31 -0.34 0.00 0.00 178.44 180.57 2bic s TYR 15 N -5.96 2.89 0.00 1.25 2.02 -1.26 -4.79 117.35 111.50 2bic s TYR 15 Ca -0.12 -1.61 0.00 0.00 -0.37 0.00 0.00 57.07 54.97 2bic s TYR 15 Cb 0.22 -4.66 0.00 0.00 -0.40 0.00 0.00 41.96 37.12 2bic s TYR 15 CO 0.80 -1.74 0.00 -1.13 -1.57 0.00 0.00 175.55 171.91 2bic n SER 16 N 7.90 0.00 0.30 2.29 3.41 -1.22 -5.01 113.62 121.30 2bic n SER 16 Ca 0.44 0.00 0.19 0.00 -0.26 0.00 0.00 58.87 59.24 2bic n SER 16 Cb 0.46 0.00 0.91 0.00 -0.26 0.00 0.00 64.21 65.32 2bic n SER 16 CO 0.00 0.00 0.00 -0.08 -0.16 0.00 0.00 175.04 174.80 2bic h GLU 17 N 0.00 0.00 -0.33 4.33 4.81 -1.89 -2.42 114.58 119.08 2bic h GLU 17 Ca 0.00 0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 59.22 2bic h GLU 17 Cb 0.00 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 29.36 2bic h GLU 17 CO 0.00 0.02 0.15 0.00 -0.73 0.00 0.00 179.01 178.45 2bic h ALA 18 N 1.98 1.64 -0.31 2.92 0.00 -1.95 -1.93 119.26 121.61 2bic h ALA 18 Ca -0.00 -0.08 -0.18 0.00 0.00 0.00 0.00 54.91 54.65 2bic h ALA 18 Cb 0.28 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 17.93 2bic h ALA 18 CO 0.00 0.29 -0.51 -0.97 0.00 0.00 0.00 179.25 178.06 2bic h ASN 19 N 0.46 0.99 -0.63 0.00 -1.24 -1.64 -3.01 115.58 110.50 2bic h ASN 19 Ca 0.12 -0.52 0.03 0.00 0.71 0.00 0.00 56.30 56.64 2bic h ASN 19 Cb 0.07 -0.28 -0.03 0.00 0.73 0.00 0.00 38.32 38.80 2bic h ASN 19 CO -0.01 1.32 0.42 -0.07 -1.29 0.00 0.00 177.43 177.79 2bic h LEU 20 N 0.70 0.66 -0.07 0.34 4.07 -1.48 0.21 115.31 119.74 2bic h LEU 20 Ca 0.02 -0.01 -0.02 0.00 0.08 0.00 0.00 57.88 57.96 2bic h LEU 20 Cb 1.12 -0.16 -0.00 0.00 1.08 0.00 0.00 40.66 42.70 2bic h LEU 20 CO 0.12 0.46 -0.02 0.00 -1.08 0.00 0.00 178.44 177.92 2bic h ALA 21 N 1.63 0.09 -0.21 1.53 0.00 -1.35 -2.30 119.26 118.65 2bic h ALA 21 Ca 0.25 -0.21 -0.16 0.00 0.00 0.00 0.00 54.91 54.79 2bic h ALA 21 Cb 0.04 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 2bic h ALA 21 CO -0.07 -0.19 -0.52 -0.24 0.00 0.00 0.00 179.25 178.24 2bic h VAL 22 N -0.21 1.31 -0.40 0.00 3.04 -1.38 -3.18 116.25 115.43 2bic h VAL 22 Ca 0.02 -1.75 -0.12 0.00 -1.01 0.00 0.00 66.70 63.84 2bic h VAL 22 Cb 0.42 1.71 -0.01 0.00 -2.01 0.00 0.00 31.29 31.40 2bic h VAL 22 CO 0.01 0.55 -0.23 0.77 -1.01 0.00 0.00 177.57 177.66 2bic h SER 23 N 0.46 0.83 -0.61 3.17 4.64 -1.02 -3.00 113.55 118.02 2bic h SER 23 Ca 0.02 -0.31 0.01 0.00 -0.47 0.00 0.00 61.79 61.04 2bic h SER 23 Cb 1.07 -0.23 -0.03 0.00 -0.31 0.00 0.00 62.40 62.90 2bic h SER 23 CO 0.10 1.03 0.41 0.50 -0.87 0.00 0.00 176.83 178.00 2bic h LYS 24 N 0.71 0.79 -0.29 4.77 3.64 -1.41 0.17 116.57 124.95 2bic h LYS 24 Ca 0.10 -0.05 -0.04 0.00 -1.27 0.00 0.00 60.65 59.39 2bic h LYS 24 Cb 0.75 -0.18 -0.01 0.00 -0.41 0.00 0.00 32.23 32.39 2bic h LYS 24 CO 0.06 0.52 0.04 1.49 -2.27 0.00 0.00 179.45 179.29 2bic h GLU 25 N 0.81 0.49 -0.18 1.90 4.81 -1.51 -1.91 114.58 118.99 2bic h GLU 25 Ca 0.23 -0.14 -0.19 0.00 -0.13 0.00 0.00 59.36 59.13 2bic h GLU 25 Cb -0.06 -0.05 0.00 0.00 0.63 0.00 0.00 28.75 29.27 2bic h GLU 25 CO -0.05 0.61 -0.67 0.00 -0.73 0.00 0.00 179.01 178.17 2bic h ARG 27 N 0.50 0.00 -1.00 0.00 2.47 -0.68 -3.09 114.38 112.58 2bic h ARG 27 Ca -0.02 0.00 0.21 0.00 -1.26 0.00 0.00 59.98 58.91 2bic h ARG 27 Cb 1.26 0.00 -0.10 0.00 -1.65 0.00 0.00 29.97 29.48 2bic h ARG 27 CO 0.13 0.20 0.62 0.22 0.56 0.00 0.00 179.97 181.70 2bic h ASP 28 N 0.00 0.69 0.32 7.04 3.58 -1.30 -1.67 116.42 125.08 2bic h ASP 28 Ca -0.00 0.10 -0.02 0.00 0.42 0.00 0.00 57.03 57.53 2bic h ASP 28 Cb 0.45 -0.02 0.00 0.00 1.72 0.00 0.00 39.33 41.48 2bic h ASP 28 CO 0.03 0.22 -0.15 -0.61 -2.88 0.00 0.00 179.24 175.84 2bic h GLN 29 N 0.66 -0.41 -0.70 0.28 -0.00 -1.71 -3.50 115.11 109.72 2bic h GLN 29 Ca 0.58 0.03 0.00 0.00 -0.00 0.00 0.00 58.65 59.26 2bic h GLN 29 Cb 1.05 0.09 0.00 0.00 0.00 0.00 0.00 27.48 28.62 2bic h GLN 29 CO -0.36 -0.13 0.00 0.41 0.00 0.00 0.00 178.83 178.74 2bic n GLY 30 N 0.41 0.47 3.84 2.39 0.00 -0.63 -5.10 105.19 106.58 2bic n GLY 30 Ca -0.07 -0.57 -0.32 0.00 0.00 0.00 0.00 46.02 45.06 2bic n GLY 30 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2bic s LYS 31 N -1.63 3.20 -0.52 1.61 2.47 -1.26 -5.07 119.74 118.54 2bic s LYS 31 Ca 0.00 -0.50 0.03 0.00 -1.56 0.00 0.00 55.97 53.95 2bic s LYS 31 Cb 0.00 -2.92 0.15 0.00 -1.46 0.00 0.00 37.83 33.60 2bic s LYS 31 CO 0.00 0.62 0.32 -0.51 0.16 0.00 0.00 175.35 175.94 2bic s LEU 32 N -2.18 3.38 0.00 5.43 1.43 -1.26 -4.92 118.68 120.56 2bic s LEU 32 Ca 0.29 -3.08 0.00 0.00 -1.03 0.00 0.00 54.13 50.31 2bic s LEU 32 Cb -0.12 -1.22 0.00 0.00 0.03 0.00 0.00 46.19 44.87 2bic s LEU 32 CO 0.21 -0.20 0.00 0.61 0.23 0.00 0.00 176.35 177.20 2bic n GLY 33 N 2.96 -1.00 2.89 -3.19 0.00 -1.26 -5.10 105.19 100.49 2bic n GLY 33 Ca 0.14 0.35 -0.14 0.00 0.00 0.00 0.00 46.02 46.37 2bic n GLY 33 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2bic s ASP 34 N -4.00 -0.06 0.00 1.61 2.15 -1.26 -4.96 116.67 110.16 2bic s ASP 34 Ca 0.00 0.26 0.00 0.00 0.43 0.00 0.00 52.55 53.24 2bic s ASP 34 Cb 0.00 0.15 0.00 0.00 -0.30 0.00 0.00 42.92 42.77 2bic s ASP 34 CO 0.00 -0.15 0.00 -0.67 -0.17 0.00 0.00 175.17 174.18 2bic n ASP 35 N 4.24 0.00 -0.23 -0.34 2.03 -1.26 -5.02 116.55 115.96 2bic n ASP 35 Ca -0.26 0.00 0.05 0.00 0.52 0.00 0.00 54.79 55.09 2bic n ASP 35 Cb 0.51 0.00 0.10 0.00 -0.72 0.00 0.00 41.12 41.02 2bic n ASP 35 CO 0.00 0.00 0.00 0.49 -1.92 0.00 0.00 177.20 175.77 2bic n PHE 36 N 0.00 0.26 -0.28 -0.67 3.72 -1.26 -2.36 117.46 116.86 2bic n PHE 36 Ca 0.00 0.79 -0.05 0.00 -0.05 0.00 0.00 57.45 58.13 2bic n PHE 36 Cb 0.00 -0.89 -0.04 0.00 -0.94 0.00 0.00 39.48 37.61 2bic n PHE 36 CO 0.00 0.00 0.00 1.58 -0.05 0.00 0.00 176.76 178.29 2bic n HIS 37 N -5.03 -0.20 0.34 1.38 -0.00 -1.26 -1.12 115.22 109.33 2bic n HIS 37 Ca 0.11 0.86 -0.14 0.00 0.46 0.00 0.00 57.72 59.01 2bic n HIS 37 Cb 0.35 -0.62 -0.07 0.00 -0.12 0.00 0.00 29.99 29.53 2bic n HIS 37 CO 0.00 0.00 0.00 -0.09 0.46 0.00 0.00 176.34 176.71 2bic h ARG 38 N 0.00 -0.87 -0.84 1.57 9.65 -1.91 -3.05 114.38 118.92 2bic h ARG 38 Ca 0.15 0.06 0.23 0.00 -1.10 0.00 0.00 59.98 59.33 2bic h ARG 38 Cb 0.33 0.20 -0.16 0.00 -1.39 0.00 0.00 29.97 28.95 2bic h ARG 38 CO -0.66 -0.58 0.03 0.00 2.80 0.00 0.00 179.97 181.56 2bic h GLU 41 N -0.15 0.00 0.02 0.00 5.08 -0.94 -3.08 114.58 115.51 2bic h GLU 41 Ca -0.02 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.34 2bic h GLU 41 Cb 1.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.25 2bic h GLU 41 CO 0.07 0.36 -0.01 1.05 -1.00 0.00 0.00 179.01 179.48 2bic h GLU 42 N 0.00 -0.02 -3.96 2.33 4.11 -1.55 -3.12 114.58 112.37 2bic h GLU 42 Ca -0.00 0.00 -0.74 0.00 0.07 0.00 0.00 59.36 58.69 2bic h GLU 42 Cb 0.64 0.00 -0.14 0.00 0.50 0.00 0.00 28.75 29.76 2bic h GLU 42 CO 0.05 0.33 2.08 1.04 0.07 0.00 0.00 179.01 182.58 2bic n GLN 43 N -4.93 3.43 0.06 1.06 3.00 -1.16 -4.18 117.38 114.66 2bic n GLN 43 Ca -0.08 -3.43 0.00 0.00 -0.01 0.00 0.00 57.00 53.48 2bic n GLN 43 Cb 0.19 -3.04 0.00 0.00 0.00 0.00 0.00 30.24 27.40 2bic n GLN 43 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 2bic n GLY 45 N -1.44 -0.92 2.65 0.00 0.00 -1.18 -5.05 105.19 99.26 2bic n GLY 45 Ca 0.00 0.34 -0.24 0.00 0.00 0.00 0.00 46.02 46.12 2bic n GLY 45 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2bic s SER 46 N -4.00 2.24 -0.03 1.61 0.01 -1.26 -4.88 113.70 107.40 2bic s SER 46 Ca 0.00 -0.64 -0.23 0.00 1.31 0.00 0.00 55.95 56.39 2bic s SER 46 Cb 0.00 -0.02 -0.05 0.00 0.21 0.00 0.00 66.02 66.16 2bic s SER 46 CO 0.00 -0.36 0.68 0.42 0.41 0.00 0.00 173.24 174.39 2bic s THR 47 N 2.20 4.94 0.00 1.44 -4.23 -1.26 -4.81 115.64 113.93 2bic s THR 47 Ca 0.05 1.42 0.00 0.00 -1.18 0.00 0.00 61.69 61.98 2bic s THR 47 Cb -0.16 -4.02 0.00 0.00 1.34 0.00 0.00 72.50 69.66 2bic s THR 47 CO -0.17 0.32 0.00 1.07 -0.54 0.00 0.00 174.62 175.30 2bic n THR 48 N 3.28 0.00 -2.74 3.99 5.66 -1.26 -4.77 114.28 118.44 2bic n THR 48 Ca -0.03 0.00 -0.42 0.00 -3.05 0.00 0.00 64.05 60.55 2bic n THR 48 Cb 0.51 0.00 -0.03 0.00 -1.55 0.00 0.00 70.33 69.26 2bic n THR 48 CO 0.00 0.00 0.00 -2.16 -3.05 0.00 0.00 175.07 169.86 2bic s PRO 49 N 0.00 3.28 0.01 1.09 0.04 -1.26 -4.93 135.00 133.23 2bic s PRO 49 Ca 0.00 -0.85 -0.02 0.00 0.04 0.00 0.00 61.00 60.17 2bic s PRO 49 Cb 0.00 -4.49 -0.01 0.00 0.04 0.00 0.00 34.50 30.05 2bic s PRO 49 CO 0.00 -1.96 0.25 0.00 0.04 0.00 0.00 177.00 175.32 2bic n ALA 50 N 8.19 -0.05 0.00 8.56 0.00 -1.26 -3.87 120.51 132.08 2bic n ALA 50 Ca 0.08 0.06 0.00 0.00 0.00 0.00 0.00 53.44 53.58 2bic n ALA 50 Cb 0.48 0.06 0.00 0.00 0.00 0.00 0.00 19.45 19.98 2bic n ALA 50 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 2bic n SER 51 N -2.94 0.00 -0.71 0.00 2.88 -1.26 -5.32 113.62 106.28 2bic n SER 51 Ca 0.00 0.00 0.13 0.00 -1.33 0.00 0.00 58.87 57.67 2bic n SER 51 Cb 0.02 0.00 0.32 0.00 -0.75 0.00 0.00 64.21 63.80 2bic n SER 51 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81