#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 0.62 0.91 1.62 1.11 -1.26 -5.16 116.67 114.51 2bic s ASP 2 Ca 0.00 -0.22 -0.13 0.00 0.18 0.00 0.00 52.55 52.38 2bic s ASP 2 Cb 0.00 -0.03 0.14 0.00 1.07 0.00 0.00 42.92 44.10 2bic s ASP 2 CO 0.00 -0.03 1.17 -2.16 1.18 0.00 0.00 175.17 175.33 2bic s PRO 3 N -0.55 1.14 -0.44 8.23 0.04 -1.26 -4.97 135.00 137.19 2bic s PRO 3 Ca -0.02 0.14 -0.29 0.00 0.04 0.00 0.00 61.00 60.87 2bic s PRO 3 Cb -0.04 -1.85 0.02 0.00 0.04 0.00 0.00 34.50 32.67 2bic s PRO 3 CO -0.00 -2.17 1.25 -1.17 0.04 0.00 0.00 177.00 174.95 2bic s LEU 4 N -5.96 3.63 -0.90 -3.56 0.20 -1.26 -4.94 118.68 105.90 2bic s LEU 4 Ca 0.65 0.65 -0.24 0.00 0.69 0.00 0.00 54.13 55.88 2bic s LEU 4 Cb -0.12 -3.55 0.05 0.00 -0.43 0.00 0.00 46.19 42.14 2bic s LEU 4 CO 0.52 -1.30 1.36 -0.31 -0.29 0.00 0.00 176.35 176.33 2bic s TYR 5 N 4.80 2.46 -0.13 5.38 2.02 -1.26 -4.80 117.35 125.82 2bic s TYR 5 Ca 0.53 -0.54 -0.12 0.00 -0.37 0.00 0.00 57.07 56.57 2bic s TYR 5 Cb -0.10 -4.65 -0.05 0.00 -0.40 0.00 0.00 41.96 36.76 2bic s TYR 5 CO 0.31 -1.97 0.42 0.00 -1.57 0.00 0.00 175.55 172.74 2bic n GLN 7 N 1.04 3.36 -3.40 0.00 -0.06 -1.26 -4.98 117.38 112.08 2bic n GLN 7 Ca 0.08 -3.76 -0.22 0.00 -2.00 0.00 0.00 57.00 51.10 2bic n GLN 7 Cb -0.01 -3.09 -0.01 0.00 -4.06 0.00 0.00 30.24 23.07 2bic n GLN 7 CO 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 177.06 176.86 2bic s ALA 8 N 1.81 3.85 -0.02 1.69 0.00 -1.26 -5.06 121.76 122.76 2bic s ALA 8 Ca 0.44 -1.10 -0.02 0.00 0.00 0.00 0.00 51.96 51.27 2bic s ALA 8 Cb -0.01 -1.97 -0.01 0.00 0.00 0.00 0.00 23.12 21.13 2bic s ALA 8 CO 0.01 -0.07 0.22 0.82 0.00 0.00 0.00 175.76 176.75 2bic h ILE 9 N 0.76 0.00 -2.29 0.00 2.04 -1.97 -3.38 117.51 112.68 2bic h ILE 9 Ca -0.49 -0.25 -0.77 0.00 1.00 0.00 0.00 64.86 64.35 2bic h ILE 9 Cb 1.24 0.00 -0.30 0.00 -0.74 0.00 0.00 36.82 37.02 2bic h ILE 9 CO 0.59 0.00 0.71 0.61 0.00 0.00 0.00 178.15 180.05 2bic n GLY 10 N 1.33 6.00 3.49 5.37 0.00 -1.26 -4.97 105.19 115.16 2bic n GLY 10 Ca -0.01 -2.62 -0.27 0.00 0.00 0.00 0.00 46.02 43.12 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 0.09 -3.51 -1.71 0.00 -0.02 -1.26 -4.90 135.00 123.70 2bic n PRO 12 Ca -0.11 -0.86 -0.40 0.00 -2.02 0.00 0.00 63.50 60.11 2bic n PRO 12 Cb 0.56 -1.16 0.03 0.00 -0.02 0.00 0.00 33.50 32.91 2bic n PRO 12 CO 0.00 0.00 0.00 2.41 1.98 0.00 0.00 175.50 179.89 2bic n THR 13 N -4.66 3.13 0.10 3.45 -1.04 -1.26 -4.77 114.28 109.22 2bic n THR 13 Ca 0.08 -0.50 -0.13 0.00 -2.04 0.00 0.00 64.05 61.46 2bic n THR 13 Cb 0.35 -1.57 -0.06 0.00 -1.82 0.00 0.00 70.33 67.23 2bic n THR 13 CO 0.00 0.00 0.00 0.25 -0.64 0.00 0.00 175.07 174.68 2bic h LEU 14 N 1.70 -1.10 -6.42 -4.42 6.46 -1.97 -2.99 115.31 106.57 2bic h LEU 14 Ca -0.49 0.13 -0.76 0.00 -0.12 0.00 0.00 57.88 56.63 2bic h LEU 14 Cb 1.30 0.42 -0.17 0.00 -0.73 0.00 0.00 40.66 41.48 2bic h LEU 14 CO 0.58 -0.44 1.86 0.00 -0.62 0.00 0.00 178.44 179.81 2bic n TYR 15 N -5.44 2.77 -4.11 1.25 4.11 -1.26 -4.23 117.16 110.25 2bic n TYR 15 Ca -0.06 -2.75 -0.08 0.00 -0.00 0.00 0.00 57.90 55.01 2bic n TYR 15 Cb 0.36 -1.81 -0.10 0.00 -0.00 0.00 0.00 39.34 37.79 2bic n TYR 15 CO 0.00 0.00 0.00 -1.54 -0.00 0.00 0.00 176.86 175.32 2bic s SER 16 N 0.33 0.53 0.46 9.48 1.04 -1.13 -5.04 113.70 119.36 2bic s SER 16 Ca 0.40 -1.03 0.12 0.00 0.48 0.00 0.00 55.95 55.92 2bic s SER 16 Cb 0.10 0.20 1.04 0.00 0.10 0.00 0.00 66.02 67.46 2bic s SER 16 CO 0.01 -0.60 2.06 1.05 0.98 0.00 0.00 173.24 176.74 2bic h GLU 17 N 3.09 0.18 0.18 4.02 4.11 -1.91 -0.86 114.58 123.39 2bic h GLU 17 Ca -0.34 -0.02 -0.01 0.00 0.07 0.00 0.00 59.36 59.06 2bic h GLU 17 Cb 1.15 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 30.37 2bic h GLU 17 CO 0.65 0.19 -0.09 0.00 0.07 0.00 0.00 179.01 179.83 2bic h ALA 18 N 1.84 -0.25 0.00 1.06 0.00 -1.96 -3.16 119.26 116.80 2bic h ALA 18 Ca 0.05 -0.22 -0.09 0.00 0.00 0.00 0.00 54.91 54.64 2bic h ALA 18 Cb 0.10 0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 2bic h ALA 18 CO -0.00 -0.33 -0.44 -0.97 0.00 0.00 0.00 179.25 177.51 2bic h ASN 19 N -0.86 0.00 -0.84 0.00 -1.24 -1.74 -3.02 115.58 107.88 2bic h ASN 19 Ca -0.03 0.00 -0.02 0.00 0.71 0.00 0.00 56.30 56.96 2bic h ASN 19 Cb 0.52 0.00 -0.04 0.00 0.73 0.00 0.00 38.32 39.53 2bic h ASN 19 CO 0.04 0.44 0.44 0.25 -1.29 0.00 0.00 177.43 177.31 2bic h LEU 20 N 0.00 1.07 -0.92 0.34 5.85 -1.25 -0.51 115.31 119.89 2bic h LEU 20 Ca -0.00 -0.11 -0.08 0.00 0.84 0.00 0.00 57.88 58.52 2bic h LEU 20 Cb 0.79 -0.27 -0.02 0.00 0.37 0.00 0.00 40.66 41.53 2bic h LEU 20 CO 0.06 0.88 -0.12 0.00 -0.34 0.00 0.00 178.44 178.91 2bic h ALA 21 N 1.29 1.09 -0.11 1.25 0.00 -1.49 -1.20 119.26 120.10 2bic h ALA 21 Ca 0.29 -0.30 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 2bic h ALA 21 Cb 0.06 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 17.69 2bic h ALA 21 CO -0.04 0.56 0.05 0.28 0.00 0.00 0.00 179.25 180.09 2bic h VAL 22 N 0.60 1.14 0.00 0.00 2.07 -1.29 -2.91 116.25 115.85 2bic h VAL 22 Ca 0.10 -0.41 -0.05 0.00 0.82 0.00 0.00 66.70 67.16 2bic h VAL 22 Cb 0.56 1.22 -0.01 0.00 -1.52 0.00 0.00 31.29 31.54 2bic h VAL 22 CO 0.03 0.12 -0.22 0.28 0.02 0.00 0.00 177.57 177.81 2bic h SER 23 N 0.03 0.00 0.39 0.57 0.02 -1.03 -2.61 113.55 110.91 2bic h SER 23 Ca 0.04 0.00 -0.02 0.00 -0.84 0.00 0.00 61.79 60.97 2bic h SER 23 Cb 0.16 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.70 2bic h SER 23 CO -0.00 0.22 -0.19 0.50 -1.14 0.00 0.00 176.83 176.22 2bic h LYS 24 N 0.00 -0.50 0.20 3.45 1.63 -1.01 -2.91 116.57 117.43 2bic h LYS 24 Ca -0.00 0.03 -0.01 0.00 -0.85 0.00 0.00 60.65 59.82 2bic h LYS 24 Cb 0.41 0.11 0.00 0.00 -0.60 0.00 0.00 32.23 32.15 2bic h LYS 24 CO 0.03 -0.28 -0.10 1.49 -3.45 0.00 0.00 179.45 177.14 2bic h GLU 25 N -0.61 -0.26 -0.94 1.90 4.81 -1.58 -3.37 114.58 114.52 2bic h GLU 25 Ca -0.05 0.02 0.33 0.00 -0.13 0.00 0.00 59.36 59.53 2bic h GLU 25 Cb 0.45 0.06 -0.17 0.00 0.63 0.00 0.00 28.75 29.72 2bic h GLU 25 CO 0.09 -0.17 0.28 0.00 -0.73 0.00 0.00 179.01 178.47 2bic h ARG 27 N 0.00 0.00 -0.42 0.00 9.65 -1.67 -2.66 114.38 119.28 2bic h ARG 27 Ca 0.69 0.00 0.08 0.00 -1.10 0.00 0.00 59.98 59.65 2bic h ARG 27 Cb 1.68 0.00 -0.02 0.00 -1.39 0.00 0.00 29.97 30.24 2bic h ARG 27 CO -0.80 0.00 0.29 0.38 2.80 0.00 0.00 179.97 182.64 2bic h ASP 28 N 0.00 0.20 -3.25 -3.80 2.03 -0.82 -3.41 116.42 107.37 2bic h ASP 28 Ca 0.51 0.00 -0.47 0.00 -0.73 0.00 0.00 57.03 56.34 2bic h ASP 28 Cb 2.17 -0.04 -0.37 0.00 -0.83 0.00 0.00 39.33 40.26 2bic h ASP 28 CO -0.01 0.12 -0.78 -1.10 -1.03 0.00 0.00 179.24 176.45 2bic s GLN 29 N -5.23 1.02 0.00 4.15 -1.52 -1.00 -4.86 119.66 112.22 2bic s GLN 29 Ca -0.06 -0.07 0.00 0.00 -1.95 0.00 0.00 55.36 53.28 2bic s GLN 29 Cb 0.19 -1.21 0.00 0.00 -0.22 0.00 0.00 33.01 31.77 2bic s GLN 29 CO 0.72 -0.25 0.00 0.41 -0.25 0.00 0.00 175.29 175.92 2bic n GLY 30 N 4.91 1.58 0.00 3.09 0.00 -1.26 -4.56 105.19 108.94 2bic n GLY 30 Ca -0.12 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.90 2bic n GLY 30 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 2bic n LYS 31 N 0.00 0.00 -4.02 1.61 3.00 -1.26 -4.19 118.16 113.30 2bic n LYS 31 Ca 0.00 0.00 -0.10 0.00 -0.00 0.00 0.00 58.31 58.21 2bic n LYS 31 Cb 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 35.03 34.95 2bic n LYS 31 CO 0.00 0.00 0.00 -0.48 0.00 0.00 0.00 177.40 176.92 2bic s LEU 32 N -2.92 1.22 0.00 3.14 2.34 -1.26 -4.88 118.68 116.32 2bic s LEU 32 Ca 0.00 -0.98 0.00 0.00 0.06 0.00 0.00 54.13 53.21 2bic s LEU 32 Cb 0.00 0.90 0.00 0.00 -0.56 0.00 0.00 46.19 46.53 2bic s LEU 32 CO 0.00 -0.84 0.00 0.61 -1.06 0.00 0.00 176.35 175.06 2bic n GLY 33 N -0.18 2.17 3.38 -3.48 0.00 -1.26 -4.63 105.19 101.19 2bic n GLY 33 Ca -0.07 -0.34 -0.45 0.00 0.00 0.00 0.00 46.02 45.15 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 6.89 -0.10 1.61 -1.08 -1.26 -5.01 116.67 113.73 2bic s ASP 34 Ca 0.00 -2.77 -0.29 0.00 -0.52 0.00 0.00 52.55 48.96 2bic s ASP 34 Cb 0.00 -2.28 -0.05 0.00 -1.46 0.00 0.00 42.92 39.13 2bic s ASP 34 CO 0.00 -0.65 1.69 -0.62 0.52 0.00 0.00 175.17 176.11 2bic s ASP 35 N 2.42 6.52 -0.20 -0.34 -1.08 -1.26 -4.73 116.67 118.00 2bic s ASP 35 Ca 0.28 2.10 -0.02 0.00 -0.52 0.00 0.00 52.55 54.39 2bic s ASP 35 Cb -0.08 -2.53 -0.07 0.00 -1.46 0.00 0.00 42.92 38.78 2bic s ASP 35 CO -0.08 -1.06 0.69 2.22 0.52 0.00 0.00 175.17 177.46 2bic n PHE 36 N 7.70 0.00 0.52 -5.34 1.16 -1.26 -4.74 117.46 115.50 2bic n PHE 36 Ca 0.18 0.00 0.11 0.00 -1.87 0.00 0.00 57.45 55.88 2bic n PHE 36 Cb 0.43 -0.23 -0.00 0.00 -1.61 0.00 0.00 39.48 38.07 2bic n PHE 36 CO 0.00 0.00 0.00 1.58 -1.87 0.00 0.00 176.76 176.47 2bic n HIS 37 N 2.26 0.26 0.02 2.97 -0.00 -1.26 -3.67 115.22 115.80 2bic n HIS 37 Ca 0.14 0.08 -0.13 0.00 0.46 0.00 0.00 57.72 58.26 2bic n HIS 37 Cb 0.16 -0.44 -0.14 0.00 -0.12 0.00 0.00 29.99 29.45 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 0.12 -0.32 1.57 9.65 -1.99 -3.26 114.38 120.15 2bic h ARG 38 Ca 0.00 -0.20 0.02 0.00 -1.10 0.00 0.00 59.98 58.69 2bic h ARG 38 Cb 0.75 0.08 -0.02 0.00 -1.39 0.00 0.00 29.97 29.38 2bic h ARG 38 CO 0.00 0.86 0.17 0.00 2.80 0.00 0.00 179.97 183.80 2bic h GLU 41 N -0.12 0.99 -0.11 0.00 4.39 -1.60 -2.56 114.58 115.57 2bic h GLU 41 Ca -0.12 -0.42 -0.08 0.00 0.34 0.00 0.00 59.36 59.08 2bic h GLU 41 Cb 1.52 -0.04 0.00 0.00 -0.10 0.00 0.00 28.75 30.14 2bic h GLU 41 CO 0.15 1.10 -0.25 1.49 -1.16 0.00 0.00 179.01 180.34 2bic h GLU 42 N 0.85 0.36 0.00 2.33 4.81 -1.50 -3.41 114.58 118.03 2bic h GLU 42 Ca 0.11 -0.24 0.00 0.00 -0.13 0.00 0.00 59.36 59.10 2bic h GLU 42 Cb 0.79 0.03 0.00 0.00 0.63 0.00 0.00 28.75 30.20 2bic h GLU 42 CO 0.07 0.85 0.00 0.94 -0.73 0.00 0.00 179.01 180.14 2bic n GLN 43 N -4.47 0.00 0.00 1.92 -0.06 -1.17 -4.65 117.38 108.95 2bic n GLN 43 Ca -0.07 0.12 0.00 0.00 -2.00 0.00 0.00 57.00 55.05 2bic n GLN 43 Cb 0.45 -0.64 0.00 0.00 -4.06 0.00 0.00 30.24 25.99 2bic n GLN 43 CO 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 177.06 176.86 2bic s GLY 45 N -0.94 1.77 -0.54 0.00 0.00 -1.26 -4.99 107.32 101.36 2bic s GLY 45 Ca 0.00 -2.44 -0.28 0.00 0.00 0.00 0.00 44.72 42.00 2bic s GLY 45 CO 0.00 1.93 1.36 -0.56 0.00 0.00 0.00 173.10 175.83 2bic s SER 46 N 3.59 6.25 -0.15 1.64 0.01 -1.12 -4.86 113.70 119.05 2bic s SER 46 Ca 0.26 0.35 -0.11 0.00 1.31 0.00 0.00 55.95 57.75 2bic s SER 46 Cb -0.11 -2.55 -0.04 0.00 0.21 0.00 0.00 66.02 63.52 2bic s SER 46 CO -0.01 -1.60 -0.20 0.41 0.41 0.00 0.00 173.24 172.25 2bic n THR 47 N 6.86 1.44 -3.81 1.44 -1.04 -1.26 -5.02 114.28 112.89 2bic n THR 47 Ca 0.12 0.19 -0.12 0.00 -2.04 0.00 0.00 64.05 62.20 2bic n THR 47 Cb 0.49 -2.36 -0.11 0.00 -1.82 0.00 0.00 70.33 66.52 2bic n THR 47 CO 0.00 0.00 0.00 0.28 -0.64 0.00 0.00 175.07 174.71 2bic s THR 48 N -2.38 0.02 0.07 12.58 -1.32 -1.26 -5.13 115.64 118.23 2bic s THR 48 Ca -0.18 -0.18 -0.34 0.00 -1.21 0.00 0.00 61.69 59.78 2bic s THR 48 Cb 0.03 -0.36 -0.13 0.00 -1.51 0.00 0.00 72.50 70.53 2bic s THR 48 CO 0.28 -0.10 1.72 -2.65 -2.21 0.00 0.00 174.62 171.66 2bic n PRO 49 N 2.51 2.25 -2.67 7.08 -0.02 -1.26 -4.91 135.00 137.98 2bic n PRO 49 Ca -0.15 0.82 -0.43 0.00 -2.02 0.00 0.00 63.50 61.71 2bic n PRO 49 Cb 0.58 -2.63 -0.03 0.00 -0.02 0.00 0.00 33.50 31.40 2bic n PRO 49 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2bic s ALA 50 N 2.24 3.29 -0.18 3.55 0.00 -1.26 -4.98 121.76 124.42 2bic s ALA 50 Ca 0.84 -0.40 -0.12 0.00 0.00 0.00 0.00 51.96 52.27 2bic s ALA 50 Cb -0.66 -3.75 0.06 0.00 0.00 0.00 0.00 23.12 18.77 2bic s ALA 50 CO 0.42 -1.93 0.45 -1.54 0.00 0.00 0.00 175.76 173.17 2bic s SER 51 N 2.14 -0.54 0.00 0.00 1.04 -1.26 -5.30 113.70 109.77 2bic s SER 51 Ca 0.44 0.96 0.00 0.00 0.48 0.00 0.00 55.95 57.83 2bic s SER 51 Cb -0.10 0.88 0.00 0.00 0.10 0.00 0.00 66.02 66.91 2bic s SER 51 CO 0.25 -0.18 0.00 0.00 0.98 0.00 0.00 173.24 174.28