#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 6.94 -1.38 -1.84 -4.77 -1.26 -4.98 116.67 109.39 2bic s ASP 2 Ca 0.00 1.31 -0.12 0.00 -3.30 0.00 0.00 52.55 50.44 2bic s ASP 2 Cb 0.00 -2.38 0.10 0.00 -1.09 0.00 0.00 42.92 39.55 2bic s ASP 2 CO 0.00 -0.01 2.05 -0.81 0.70 0.00 0.00 175.17 177.11 2bic n PRO 3 N 0.49 3.19 -3.25 2.11 -0.04 -1.26 -4.71 135.00 131.54 2bic n PRO 3 Ca -0.02 -3.03 -0.44 0.00 -0.04 0.00 0.00 63.50 59.97 2bic n PRO 3 Cb 0.52 -3.14 -0.07 0.00 -0.04 0.00 0.00 33.50 30.77 2bic n PRO 3 CO 0.00 0.00 0.00 -1.17 -0.04 0.00 0.00 175.50 174.29 2bic s LEU 4 N 1.29 5.28 0.57 1.53 2.96 -1.26 -5.05 118.68 124.00 2bic s LEU 4 Ca 0.44 -1.13 -0.14 0.00 -0.22 0.00 0.00 54.13 53.08 2bic s LEU 4 Cb 0.12 -2.33 -0.05 0.00 0.50 0.00 0.00 46.19 44.42 2bic s LEU 4 CO -0.04 -0.81 1.02 -0.31 -1.32 0.00 0.00 176.35 174.88 2bic s TYR 5 N 2.23 3.40 0.32 5.38 1.51 -1.26 -4.62 117.35 124.31 2bic s TYR 5 Ca 0.10 1.42 -0.29 0.00 -1.01 0.00 0.00 57.07 57.29 2bic s TYR 5 Cb -0.22 -2.81 -0.10 0.00 -0.11 0.00 0.00 41.96 38.72 2bic s TYR 5 CO 0.09 -0.66 1.29 0.00 -1.11 0.00 0.00 175.55 175.16 2bic n GLN 7 N 0.96 0.43 -2.53 0.00 -0.06 -1.26 -4.72 117.38 110.19 2bic n GLN 7 Ca 0.00 -2.61 -0.22 0.00 -2.00 0.00 0.00 57.00 52.17 2bic n GLN 7 Cb 0.42 -1.53 0.11 0.00 -4.06 0.00 0.00 30.24 25.18 2bic n GLN 7 CO 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 177.06 176.86 2bic n ALA 8 N 2.61 0.28 -0.16 1.69 0.00 -1.26 -5.00 120.51 118.67 2bic n ALA 8 Ca 0.23 -1.90 -0.05 0.00 0.00 0.00 0.00 53.44 51.71 2bic n ALA 8 Cb 0.53 0.33 0.12 0.00 0.00 0.00 0.00 19.45 20.43 2bic n ALA 8 CO 0.00 0.00 0.00 0.97 0.00 0.00 0.00 177.50 178.47 2bic h ILE 9 N -0.53 1.25 -1.07 0.00 2.10 -1.98 -3.27 117.51 114.01 2bic h ILE 9 Ca -0.31 -1.00 -0.46 0.00 1.08 0.00 0.00 64.86 64.17 2bic h ILE 9 Cb 1.18 0.77 -0.41 0.00 -1.09 0.00 0.00 36.82 37.27 2bic h ILE 9 CO 0.35 0.36 -0.95 0.61 -1.08 0.00 0.00 178.15 177.44 2bic n GLY 10 N -0.64 4.00 3.43 8.18 0.00 -1.26 -5.04 105.19 113.86 2bic n GLY 10 Ca 0.03 -2.03 -0.30 0.00 0.00 0.00 0.00 46.02 43.72 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 1.52 0.53 -1.53 0.00 -0.02 -1.26 -4.54 135.00 129.69 2bic n PRO 12 Ca -0.16 0.21 -0.26 0.00 -2.02 0.00 0.00 63.50 61.27 2bic n PRO 12 Cb 0.52 -1.78 0.18 0.00 -0.02 0.00 0.00 33.50 32.41 2bic n PRO 12 CO 0.00 0.00 0.00 -2.37 1.98 0.00 0.00 175.50 175.11 2bic n THR 13 N -1.80 0.00 -0.27 3.45 5.66 -1.26 -4.69 114.28 115.37 2bic n THR 13 Ca 0.12 -0.78 -0.03 0.00 -3.05 0.00 0.00 64.05 60.31 2bic n THR 13 Cb 0.48 -1.52 0.09 0.00 -1.55 0.00 0.00 70.33 67.83 2bic n THR 13 CO 0.00 0.00 0.00 0.25 -3.05 0.00 0.00 175.07 172.27 2bic h LEU 14 N 0.00 0.80 -6.29 1.09 5.85 -1.94 -3.21 115.31 111.61 2bic h LEU 14 Ca -0.37 -0.00 -0.74 0.00 0.84 0.00 0.00 57.88 57.61 2bic h LEU 14 Cb 1.04 -0.18 -0.11 0.00 0.37 0.00 0.00 40.66 41.78 2bic h LEU 14 CO 0.26 0.55 2.45 -1.22 -0.34 0.00 0.00 178.44 180.14 2bic n TYR 15 N -4.62 3.19 -3.62 1.25 4.01 -1.26 -4.82 117.16 111.29 2bic n TYR 15 Ca 0.08 -2.87 -0.14 0.00 -0.16 0.00 0.00 57.90 54.82 2bic n TYR 15 Cb 0.08 -2.19 -0.07 0.00 -0.31 0.00 0.00 39.34 36.85 2bic n TYR 15 CO 0.00 0.00 0.00 -1.54 -0.46 0.00 0.00 176.86 174.86 2bic s SER 16 N 1.79 -0.72 0.35 7.72 1.04 -1.21 -5.05 113.70 117.61 2bic s SER 16 Ca 0.42 1.34 0.05 0.00 0.48 0.00 0.00 55.95 58.24 2bic s SER 16 Cb 0.11 1.34 0.66 0.00 0.10 0.00 0.00 66.02 68.23 2bic s SER 16 CO -0.03 -0.28 1.93 -0.08 0.98 0.00 0.00 173.24 175.75 2bic h GLU 17 N 4.80 0.57 -0.55 4.02 4.81 -1.90 -2.94 114.58 123.39 2bic h GLU 17 Ca -0.29 -0.09 -0.09 0.00 -0.13 0.00 0.00 59.36 58.77 2bic h GLU 17 Cb 1.16 -0.10 -0.02 0.00 0.63 0.00 0.00 28.75 30.42 2bic h GLU 17 CO 0.10 0.52 0.00 0.00 -0.73 0.00 0.00 179.01 178.89 2bic h ALA 18 N 1.56 0.96 0.00 2.92 0.00 -1.97 -3.15 119.26 119.58 2bic h ALA 18 Ca 0.13 -0.29 -0.07 0.00 0.00 0.00 0.00 54.91 54.68 2bic h ALA 18 Cb 0.20 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.77 2bic h ALA 18 CO -0.01 0.63 -0.32 -0.97 0.00 0.00 0.00 179.25 178.58 2bic h ASN 19 N 0.87 0.00 -0.77 0.00 -1.24 -1.76 -2.59 115.58 110.10 2bic h ASN 19 Ca 0.16 0.00 -0.02 0.00 0.71 0.00 0.00 56.30 57.15 2bic h ASN 19 Cb 0.51 0.00 -0.04 0.00 0.73 0.00 0.00 38.32 39.52 2bic h ASN 19 CO 0.03 0.32 0.39 -0.07 -1.29 0.00 0.00 177.43 176.81 2bic h LEU 20 N 0.00 0.99 -1.19 0.34 4.07 -1.59 -0.20 115.31 117.72 2bic h LEU 20 Ca -0.00 -0.10 -0.08 0.00 0.08 0.00 0.00 57.88 57.78 2bic h LEU 20 Cb 0.61 -0.25 -0.01 0.00 1.08 0.00 0.00 40.66 42.08 2bic h LEU 20 CO 0.04 0.82 -0.29 0.00 -1.08 0.00 0.00 178.44 177.94 2bic h ALA 21 N 1.33 1.33 -0.12 1.53 0.00 -1.56 -0.73 119.26 121.05 2bic h ALA 21 Ca 0.27 -0.31 -0.05 0.00 0.00 0.00 0.00 54.91 54.82 2bic h ALA 21 Cb 0.08 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 17.79 2bic h ALA 21 CO -0.04 0.47 -0.11 0.28 0.00 0.00 0.00 179.25 179.85 2bic h VAL 22 N 0.17 1.35 -0.32 0.00 2.07 -1.14 -2.99 116.25 115.38 2bic h VAL 22 Ca 0.03 -1.26 -0.04 0.00 0.82 0.00 0.00 66.70 66.24 2bic h VAL 22 Cb 0.60 1.93 -0.02 0.00 -1.52 0.00 0.00 31.29 32.29 2bic h VAL 22 CO 0.04 0.36 0.02 -1.28 0.02 0.00 0.00 177.57 176.73 2bic h SER 23 N -0.12 0.45 -0.77 0.57 0.87 -1.00 -1.95 113.55 111.60 2bic h SER 23 Ca 0.02 -0.07 0.08 0.00 -1.23 0.00 0.00 61.79 60.58 2bic h SER 23 Cb 0.63 -0.12 -0.05 0.00 -0.44 0.00 0.00 62.40 62.42 2bic h SER 23 CO 0.03 0.51 0.51 0.50 -0.53 0.00 0.00 176.83 177.84 2bic h LYS 24 N 0.47 0.75 0.09 2.24 3.64 -1.08 0.11 116.57 122.79 2bic h LYS 24 Ca 0.11 -0.04 -0.00 0.00 -1.27 0.00 0.00 60.65 59.44 2bic h LYS 24 Cb 0.28 -0.17 0.00 0.00 -0.41 0.00 0.00 32.23 31.93 2bic h LYS 24 CO 0.01 0.49 -0.04 0.93 -2.27 0.00 0.00 179.45 178.57 2bic h GLU 25 N 0.77 -0.12 0.02 1.90 5.08 -1.28 -3.34 114.58 117.62 2bic h GLU 25 Ca 0.34 0.01 -0.00 0.00 -1.00 0.00 0.00 59.36 58.71 2bic h GLU 25 Cb 0.34 0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.62 2bic h GLU 25 CO -0.12 0.30 -0.01 0.00 -1.00 0.00 0.00 179.01 178.18 2bic h ARG 27 N -0.92 0.00 -1.09 0.00 1.12 -1.00 -2.99 114.38 109.49 2bic h ARG 27 Ca -0.00 0.00 0.32 0.00 -1.11 0.00 0.00 59.98 59.18 2bic h ARG 27 Cb 0.72 0.00 -0.04 0.00 -0.01 0.00 0.00 29.97 30.64 2bic h ARG 27 CO 0.01 0.01 0.79 0.22 -3.11 0.00 0.00 179.97 177.89 2bic h ASP 28 N 0.00 0.00 0.80 -3.80 3.58 -1.68 -1.67 116.42 113.65 2bic h ASP 28 Ca -0.00 0.00 -0.04 0.00 0.42 0.00 0.00 57.03 57.41 2bic h ASP 28 Cb 0.03 0.00 0.01 0.00 1.72 0.00 0.00 39.33 41.09 2bic h ASP 28 CO 0.00 0.00 -0.39 -0.61 -2.88 0.00 0.00 179.24 175.37 2bic h GLN 29 N 0.00 -1.04 0.00 0.28 4.15 -1.78 -3.47 115.11 113.25 2bic h GLN 29 Ca 0.52 0.07 0.00 0.00 0.77 0.00 0.00 58.65 60.01 2bic h GLN 29 Cb 2.09 0.24 0.00 0.00 0.21 0.00 0.00 27.48 30.02 2bic h GLN 29 CO -0.01 -0.69 0.00 0.41 -1.93 0.00 0.00 178.83 176.61 2bic n GLY 30 N -0.99 0.24 3.53 2.39 0.00 -0.63 -4.77 105.19 104.96 2bic n GLY 30 Ca -0.13 -0.74 -0.06 0.00 0.00 0.00 0.00 46.02 45.09 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 -0.04 0.55 0.71 1.61 2.47 -1.26 -4.78 119.74 119.01 2bic s LYS 31 Ca 0.00 1.21 -0.10 0.00 -1.56 0.00 0.00 55.97 55.52 2bic s LYS 31 Cb 0.00 0.39 0.04 0.00 -1.46 0.00 0.00 37.83 36.80 2bic s LYS 31 CO 0.00 -0.18 1.08 -0.48 0.16 0.00 0.00 175.35 175.92 2bic s LEU 32 N 2.17 2.84 0.00 5.43 -0.00 -1.26 -4.49 118.68 123.37 2bic s LEU 32 Ca -0.07 0.88 0.00 0.00 -0.00 0.00 0.00 54.13 54.94 2bic s LEU 32 Cb -0.09 -3.58 0.00 0.00 -0.00 0.00 0.00 46.19 42.52 2bic s LEU 32 CO -0.17 -1.48 0.00 0.61 -0.00 0.00 0.00 176.35 175.31 2bic n GLY 33 N -3.01 0.92 2.70 -3.48 0.00 -1.26 -4.33 105.19 96.73 2bic n GLY 33 Ca 0.07 -1.01 -0.07 0.00 0.00 0.00 0.00 46.02 45.01 2bic n GLY 33 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2bic n ASP 34 N 0.11 1.05 -0.76 1.61 5.68 -1.26 -4.91 116.55 118.07 2bic n ASP 34 Ca 0.00 -2.53 0.11 0.00 -0.50 0.00 0.00 54.79 51.87 2bic n ASP 34 Cb 0.00 -0.33 0.31 0.00 -1.14 0.00 0.00 41.12 39.96 2bic n ASP 34 CO 0.00 0.00 0.00 -0.67 -1.33 0.00 0.00 177.20 175.20 2bic n ASP 35 N -0.27 2.29 -0.15 -1.12 -0.08 -1.26 -3.59 116.55 112.37 2bic n ASP 35 Ca 0.07 -1.82 0.10 0.00 -1.51 0.00 0.00 54.79 51.63 2bic n ASP 35 Cb 0.82 -0.16 -0.08 0.00 2.34 0.00 0.00 41.12 44.04 2bic n ASP 35 CO 0.00 0.00 0.00 0.49 0.12 0.00 0.00 177.20 177.81 2bic n PHE 36 N 0.74 0.00 -0.31 -0.67 3.72 -1.26 -4.78 117.46 114.89 2bic n PHE 36 Ca 0.17 0.00 -0.02 0.00 -0.05 0.00 0.00 57.45 57.55 2bic n PHE 36 Cb 0.42 -0.00 0.01 0.00 -0.94 0.00 0.00 39.48 38.98 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 -1.06 -0.04 -0.03 1.38 -0.00 -1.24 -0.41 115.22 113.83 2bic n HIS 37 Ca 0.06 0.99 -0.13 0.00 0.46 0.00 0.00 57.72 59.09 2bic n HIS 37 Cb 0.37 -0.76 -0.01 0.00 -0.12 0.00 0.00 29.99 29.47 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 0.73 -0.69 1.57 2.43 -1.89 -2.70 114.38 113.83 2bic h ARG 38 Ca 0.25 -0.49 -0.05 0.00 -0.81 0.00 0.00 59.98 58.89 2bic h ARG 38 Cb 0.45 0.07 -0.03 0.00 -0.42 0.00 0.00 29.97 30.04 2bic h ARG 38 CO -0.79 1.11 0.23 0.00 -1.51 0.00 0.00 179.97 179.01 2bic h GLU 41 N 0.12 0.05 0.19 0.00 4.11 -1.48 -3.33 114.58 114.23 2bic h GLU 41 Ca 0.06 -0.03 -0.01 0.00 0.07 0.00 0.00 59.36 59.45 2bic h GLU 41 Cb 0.26 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.52 2bic h GLU 41 CO 0.00 0.60 -0.09 0.93 0.07 0.00 0.00 179.01 180.52 2bic h GLU 42 N 0.04 -0.24 -5.66 1.06 5.08 -1.52 -3.40 114.58 109.95 2bic h GLU 42 Ca -0.00 0.02 -0.62 0.00 -1.00 0.00 0.00 59.36 57.76 2bic h GLU 42 Cb 1.02 0.05 -0.13 0.00 0.50 0.00 0.00 28.75 30.19 2bic h GLU 42 CO 0.08 -0.16 0.81 -0.65 -1.00 0.00 0.00 179.01 178.09 2bic s GLN 43 N -2.34 3.26 0.00 2.33 -0.21 -0.86 -4.90 119.66 116.95 2bic s GLN 43 Ca -0.04 -0.88 0.00 0.00 0.02 0.00 0.00 55.36 54.46 2bic s GLN 43 Cb 0.00 -4.46 0.00 0.00 1.00 0.00 0.00 33.01 29.56 2bic s GLN 43 CO 0.11 -1.93 0.00 0.00 -2.12 0.00 0.00 175.29 171.35 2bic s GLY 45 N 0.00 2.72 0.17 0.00 0.00 -1.26 -4.94 107.32 104.01 2bic s GLY 45 Ca 0.00 0.68 0.00 0.00 0.00 0.00 0.00 44.72 45.40 2bic s GLY 45 CO 0.00 1.11 0.00 -1.14 0.00 0.00 0.00 173.10 173.07 2bic n SER 46 N -0.07 -0.13 -4.68 1.64 3.41 -1.26 -4.44 113.62 108.09 2bic n SER 46 Ca 0.05 0.30 -0.43 0.00 -0.26 0.00 0.00 58.87 58.53 2bic n SER 46 Cb 0.50 0.27 -0.02 0.00 -0.26 0.00 0.00 64.21 64.69 2bic n SER 46 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 2bic s THR 47 N -1.58 4.40 0.00 6.66 2.01 -1.26 -4.69 115.64 121.18 2bic s THR 47 Ca 0.00 1.70 0.00 0.00 0.31 0.00 0.00 61.69 63.70 2bic s THR 47 Cb 0.00 -4.10 0.00 0.00 0.01 0.00 0.00 72.50 68.41 2bic s THR 47 CO 0.00 -0.05 0.00 0.41 -0.69 0.00 0.00 174.62 174.29 2bic n THR 48 N 4.84 0.00 -2.77 -0.82 -1.04 -1.26 -4.78 114.28 108.45 2bic n THR 48 Ca 0.11 0.00 -0.43 0.00 -2.04 0.00 0.00 64.05 61.70 2bic n THR 48 Cb 0.46 0.00 -0.04 0.00 -1.82 0.00 0.00 70.33 68.94 2bic n THR 48 CO 0.00 0.00 0.00 -2.16 -0.64 0.00 0.00 175.07 172.27 2bic s PRO 49 N 0.00 3.35 -0.45 -2.82 0.04 -1.26 -4.98 135.00 128.87 2bic s PRO 49 Ca 0.00 -0.20 -0.27 0.00 0.04 0.00 0.00 61.00 60.58 2bic s PRO 49 Cb 0.00 -4.07 0.03 0.00 0.04 0.00 0.00 34.50 30.50 2bic s PRO 49 CO 0.00 -1.59 0.99 0.00 0.04 0.00 0.00 177.00 176.44 2bic s ALA 50 N 4.28 3.24 -0.52 8.56 0.00 -1.26 -4.99 121.76 131.07 2bic s ALA 50 Ca 0.33 -0.64 -0.21 0.00 0.00 0.00 0.00 51.96 51.44 2bic s ALA 50 Cb -0.12 -3.70 0.06 0.00 0.00 0.00 0.00 23.12 19.36 2bic s ALA 50 CO 0.20 -2.04 0.72 0.45 0.00 0.00 0.00 175.76 175.09 2bic s SER 51 N 2.25 6.25 0.00 0.00 0.15 -1.26 -5.30 113.70 115.79 2bic s SER 51 Ca 0.40 -0.78 0.00 0.00 0.70 0.00 0.00 55.95 56.27 2bic s SER 51 Cb -0.10 -2.33 0.00 0.00 -1.71 0.00 0.00 66.02 61.88 2bic s SER 51 CO 0.26 -1.00 0.00 0.00 1.20 0.00 0.00 173.24 173.71