#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 6.77 -1.11 1.62 1.01 -1.26 -5.00 116.67 118.69 2bic s ASP 2 Ca 0.00 0.91 -0.20 0.00 0.71 0.00 0.00 52.55 53.97 2bic s ASP 2 Cb 0.00 -2.29 0.08 0.00 1.01 0.00 0.00 42.92 41.72 2bic s ASP 2 CO 0.00 0.10 1.49 -2.16 0.21 0.00 0.00 175.17 174.81 2bic s PRO 3 N 0.05 3.77 -0.48 8.23 0.04 -1.26 -4.94 135.00 140.42 2bic s PRO 3 Ca 0.26 -1.64 -0.18 0.00 0.04 0.00 0.00 61.00 59.48 2bic s PRO 3 Cb -0.16 -5.32 0.05 0.00 0.04 0.00 0.00 34.50 29.11 2bic s PRO 3 CO 0.12 -2.12 0.52 -1.17 0.04 0.00 0.00 177.00 174.40 2bic s LEU 4 N 4.06 5.12 -0.20 -3.56 0.20 -1.26 -5.01 118.68 118.03 2bic s LEU 4 Ca 0.46 -0.97 -0.03 0.00 0.69 0.00 0.00 54.13 54.28 2bic s LEU 4 Cb 0.00 -2.37 0.06 0.00 -0.43 0.00 0.00 46.19 43.46 2bic s LEU 4 CO -0.03 -0.76 0.05 -0.31 -0.29 0.00 0.00 176.35 175.01 2bic s TYR 5 N 2.26 0.90 0.00 5.38 2.02 -1.26 -4.69 117.35 121.96 2bic s TYR 5 Ca 0.11 -0.82 0.00 0.00 -0.37 0.00 0.00 57.07 56.00 2bic s TYR 5 Cb -0.20 -1.00 0.00 0.00 -0.40 0.00 0.00 41.96 40.36 2bic s TYR 5 CO 0.11 -0.62 0.00 0.00 -1.57 0.00 0.00 175.55 173.47 2bic s GLN 7 N 0.00 0.84 0.00 0.00 0.74 -1.26 -4.63 119.66 115.34 2bic s GLN 7 Ca 0.00 -1.48 0.00 0.00 0.05 0.00 0.00 55.36 53.93 2bic s GLN 7 Cb 0.00 -0.93 0.00 0.00 1.10 0.00 0.00 33.01 33.18 2bic s GLN 7 CO 0.00 -1.31 0.00 0.00 -0.55 0.00 0.00 175.29 173.43 2bic n ALA 8 N 3.36 0.00 0.17 1.58 0.00 -1.26 -4.99 120.51 119.36 2bic n ALA 8 Ca 0.21 0.00 -0.09 0.00 0.00 0.00 0.00 53.44 53.56 2bic n ALA 8 Cb 0.48 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.88 2bic n ALA 8 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.50 178.32 2bic h ILE 9 N 0.00 0.16 0.09 0.00 1.08 -1.96 -3.38 117.51 113.51 2bic h ILE 9 Ca 0.00 -0.68 -0.00 0.00 -0.39 0.00 0.00 64.86 63.78 2bic h ILE 9 Cb 0.00 0.27 0.00 0.00 -3.07 0.00 0.00 36.82 34.02 2bic h ILE 9 CO 0.00 0.04 -0.05 1.23 -0.69 0.00 0.00 178.15 178.68 2bic h GLY 10 N -1.09 -0.13 -2.71 5.37 0.00 -1.92 -3.48 103.07 99.11 2bic h GLY 10 Ca -0.05 0.05 -0.36 0.00 0.00 0.00 0.00 47.33 46.97 2bic h GLY 10 CO 0.08 -0.05 -0.26 0.00 0.00 0.00 0.00 176.54 176.31 2bic s PRO 12 N -0.50 -1.49 0.56 0.00 0.04 -1.26 -4.50 135.00 127.86 2bic s PRO 12 Ca 0.35 0.07 -0.17 0.00 0.04 0.00 0.00 61.00 61.29 2bic s PRO 12 Cb -0.51 -1.55 -0.05 0.00 0.04 0.00 0.00 34.50 32.43 2bic s PRO 12 CO 0.30 -3.92 1.06 0.95 0.04 0.00 0.00 177.00 175.43 2bic s THR 13 N -2.81 3.76 -1.64 1.26 -4.23 -1.26 -4.76 115.64 105.97 2bic s THR 13 Ca 0.70 0.91 0.17 0.00 -1.18 0.00 0.00 61.69 62.29 2bic s THR 13 Cb -0.12 -3.39 0.37 0.00 1.34 0.00 0.00 72.50 70.70 2bic s THR 13 CO 0.57 -0.42 1.48 0.00 -0.54 0.00 0.00 174.62 175.72 2bic n LEU 14 N -1.73 0.00 0.02 4.79 -0.00 -1.26 -2.31 117.00 116.51 2bic n LEU 14 Ca 0.09 0.18 0.11 0.00 -0.00 0.00 0.00 56.01 56.39 2bic n LEU 14 Cb 0.53 -0.18 -0.11 0.00 -0.00 0.00 0.00 43.42 43.65 2bic n LEU 14 CO 0.45 -0.08 -0.49 0.00 -0.00 0.00 0.00 177.39 177.27 2bic n TYR 15 N -1.18 0.24 -2.58 1.47 0.18 -1.26 -4.63 117.16 109.40 2bic n TYR 15 Ca 0.10 0.07 -0.36 0.00 1.88 0.00 0.00 57.90 59.59 2bic n TYR 15 Cb 0.11 -0.57 -0.04 0.00 -0.38 0.00 0.00 39.34 38.45 2bic n TYR 15 CO 0.00 0.00 0.00 -1.54 -2.08 0.00 0.00 176.86 173.24 2bic s SER 16 N -4.59 6.75 0.26 9.48 1.04 -0.98 -4.95 113.70 120.72 2bic s SER 16 Ca -0.05 1.99 -0.02 0.00 0.48 0.00 0.00 55.95 58.35 2bic s SER 16 Cb 0.13 -2.58 0.45 0.00 0.10 0.00 0.00 66.02 64.13 2bic s SER 16 CO 0.87 -0.49 1.82 -0.08 0.98 0.00 0.00 173.24 176.34 2bic h GLU 17 N 2.38 0.85 -0.73 4.02 4.22 -1.93 -2.14 114.58 121.26 2bic h GLU 17 Ca -0.48 -0.05 0.02 0.00 0.08 0.00 0.00 59.36 58.93 2bic h GLU 17 Cb 1.21 -0.19 -0.04 0.00 0.50 0.00 0.00 28.75 30.23 2bic h GLU 17 CO 0.62 0.56 0.48 0.00 -2.18 0.00 0.00 179.01 178.49 2bic h ALA 18 N 1.49 1.53 -0.16 2.92 0.00 -1.92 -2.88 119.26 120.23 2bic h ALA 18 Ca 0.44 -0.04 -0.15 0.00 0.00 0.00 0.00 54.91 55.15 2bic h ALA 18 Cb 0.40 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.91 2bic h ALA 18 CO -0.25 0.41 -0.55 -0.97 0.00 0.00 0.00 179.25 177.89 2bic h ASN 19 N 0.93 0.53 0.04 0.00 -0.73 -1.60 -3.23 115.58 111.52 2bic h ASN 19 Ca 0.28 -0.28 -0.02 0.00 1.87 0.00 0.00 56.30 58.15 2bic h ASN 19 Cb -0.03 -0.15 -0.00 0.00 0.27 0.00 0.00 38.32 38.41 2bic h ASN 19 CO -0.07 0.97 -0.06 -0.07 -0.37 0.00 0.00 177.43 177.83 2bic h LEU 20 N 0.36 0.05 0.20 0.34 4.07 -1.47 0.11 115.31 118.98 2bic h LEU 20 Ca 0.01 -0.00 -0.01 0.00 0.08 0.00 0.00 57.88 57.95 2bic h LEU 20 Cb 1.08 -0.01 0.00 0.00 1.08 0.00 0.00 40.66 42.81 2bic h LEU 20 CO 0.10 0.12 -0.10 0.00 -1.08 0.00 0.00 178.44 177.49 2bic h ALA 21 N 1.88 -0.27 -0.51 1.53 0.00 -1.62 -2.07 119.26 118.20 2bic h ALA 21 Ca 0.01 -0.18 -0.12 0.00 0.00 0.00 0.00 54.91 54.62 2bic h ALA 21 Cb 0.15 0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.03 2bic h ALA 21 CO 0.01 -0.47 -0.16 -0.24 0.00 0.00 0.00 179.25 178.39 2bic h VAL 22 N -0.63 1.27 -0.00 0.00 3.04 -1.57 -3.28 116.25 115.08 2bic h VAL 22 Ca -0.03 -1.32 -0.22 0.00 -1.01 0.00 0.00 66.70 64.12 2bic h VAL 22 Cb 0.46 1.05 0.00 0.00 -2.01 0.00 0.00 31.29 30.79 2bic h VAL 22 CO 0.05 0.46 -0.93 0.77 -1.01 0.00 0.00 177.57 176.90 2bic h SER 23 N 0.87 0.51 0.33 3.17 4.64 -0.87 -3.30 113.55 118.91 2bic h SER 23 Ca 0.12 -0.41 -0.07 0.00 -0.47 0.00 0.00 61.79 60.97 2bic h SER 23 Cb 0.73 -0.16 -0.01 0.00 -0.31 0.00 0.00 62.40 62.66 2bic h SER 23 CO 0.06 1.21 -0.32 0.50 -0.87 0.00 0.00 176.83 177.41 2bic h LYS 24 N 0.22 0.00 0.22 4.77 1.63 -1.44 -1.63 116.57 120.34 2bic h LYS 24 Ca -0.08 0.00 -0.01 0.00 -0.85 0.00 0.00 60.65 59.71 2bic h LYS 24 Cb 1.57 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 33.20 2bic h LYS 24 CO 0.16 0.32 -0.11 1.49 -3.45 0.00 0.00 179.45 177.85 2bic h GLU 25 N 0.00 -0.30 0.01 1.90 4.81 -1.63 -0.05 114.58 119.32 2bic h GLU 25 Ca -0.00 0.02 -0.20 0.00 -0.13 0.00 0.00 59.36 59.05 2bic h GLU 25 Cb 0.57 0.07 -0.02 0.00 0.63 0.00 0.00 28.75 30.00 2bic h GLU 25 CO 0.04 -0.20 -0.90 0.00 -0.73 0.00 0.00 179.01 177.22 2bic h ARG 27 N 0.06 0.68 -0.32 0.00 9.65 -1.26 -2.93 114.38 120.27 2bic h ARG 27 Ca -0.04 -0.22 -0.08 0.00 -1.10 0.00 0.00 59.98 58.55 2bic h ARG 27 Cb 1.56 -0.06 -0.01 0.00 -1.39 0.00 0.00 29.97 30.07 2bic h ARG 27 CO 0.13 0.79 -0.09 0.22 2.80 0.00 0.00 179.97 183.82 2bic h ASP 28 N 0.50 0.64 -3.65 -3.80 3.58 -1.07 -3.35 116.42 109.28 2bic h ASP 28 Ca 0.11 -0.37 -0.65 0.00 0.42 0.00 0.00 57.03 56.53 2bic h ASP 28 Cb 0.49 -0.18 -0.40 0.00 1.72 0.00 0.00 39.33 40.96 2bic h ASP 28 CO 0.02 0.87 -0.72 -1.58 -2.88 0.00 0.00 179.24 174.94 2bic s GLN 29 N -4.74 1.43 0.00 0.28 0.74 -0.93 -4.74 119.66 111.70 2bic s GLN 29 Ca -0.13 -1.81 0.00 0.00 0.05 0.00 0.00 55.36 53.47 2bic s GLN 29 Cb 0.09 -3.11 0.00 0.00 1.10 0.00 0.00 33.01 31.09 2bic s GLN 29 CO 0.79 -0.94 0.00 0.41 -0.55 0.00 0.00 175.29 175.00 2bic n GLY 30 N 4.30 0.55 0.00 2.59 0.00 -1.11 -4.39 105.19 107.14 2bic n GLY 30 Ca 0.03 0.10 0.00 0.00 0.00 0.00 0.00 46.02 46.16 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 0.19 1.61 4.81 -1.24 -4.66 118.16 118.86 2bic n LYS 31 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.44 2bic n LYS 31 Cb 0.00 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.05 2bic n LYS 31 CO 0.00 0.00 0.00 -0.11 1.17 0.00 0.00 177.40 178.46 2bic n LEU 32 N 0.00 -3.32 0.00 3.14 7.94 -1.26 -5.10 117.00 118.40 2bic n LEU 32 Ca 0.00 0.73 0.00 0.00 -1.11 0.00 0.00 56.01 55.63 2bic n LEU 32 Cb 0.00 3.19 0.00 0.00 0.53 0.00 0.00 43.42 47.14 2bic n LEU 32 CO 0.00 0.15 0.00 0.61 -1.11 0.00 0.00 177.39 177.04 2bic n GLY 33 N -1.48 0.06 3.51 -3.96 0.00 -1.26 -5.02 105.19 97.03 2bic n GLY 33 Ca 0.00 0.17 -0.43 0.00 0.00 0.00 0.00 46.02 45.76 2bic n GLY 33 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2bic s ASP 34 N 0.00 6.77 0.00 1.61 1.11 -1.26 -3.64 116.67 121.26 2bic s ASP 34 Ca 0.00 -2.27 0.00 0.00 0.18 0.00 0.00 52.55 50.46 2bic s ASP 34 Cb 0.00 -2.47 0.00 0.00 1.07 0.00 0.00 42.92 41.52 2bic s ASP 34 CO 0.00 -1.09 0.00 -0.67 1.18 0.00 0.00 175.17 174.59 2bic n ASP 35 N 7.19 0.00 -0.09 0.27 -0.08 -1.26 -5.01 116.55 117.57 2bic n ASP 35 Ca 0.35 0.00 -0.09 0.00 -1.51 0.00 0.00 54.79 53.54 2bic n ASP 35 Cb 0.47 0.00 -0.15 0.00 2.34 0.00 0.00 41.12 43.78 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 0.00 0.00 -0.02 -0.67 3.72 -1.24 -3.80 117.46 115.45 2bic n PHE 36 Ca 0.00 0.00 -0.13 0.00 -0.05 0.00 0.00 57.45 57.27 2bic n PHE 36 Cb 0.00 -0.93 -0.10 0.00 -0.94 0.00 0.00 39.48 37.51 2bic n PHE 36 CO 0.00 0.00 0.00 1.25 -0.05 0.00 0.00 176.76 177.96 2bic h HIS 37 N 0.00 -0.00 -0.50 1.38 2.76 -1.95 -1.41 115.15 115.42 2bic h HIS 37 Ca -0.50 -0.00 -0.12 0.00 -2.20 0.00 0.00 60.37 57.54 2bic h HIS 37 Cb 2.14 0.00 -0.02 0.00 1.55 0.00 0.00 27.41 31.09 2bic h HIS 37 CO 0.00 0.51 -0.17 0.07 -1.30 0.00 0.00 177.93 177.04 2bic h ARG 38 N -0.51 0.99 -0.40 5.26 0.11 -1.97 -2.91 114.38 114.95 2bic h ARG 38 Ca -0.00 -0.40 -0.05 0.00 0.10 0.00 0.00 59.98 59.63 2bic h ARG 38 Cb 0.51 -0.05 -0.02 0.00 1.11 0.00 0.00 29.97 31.53 2bic h ARG 38 CO 0.00 1.07 0.05 0.00 0.10 0.00 0.00 179.97 181.19 2bic h GLU 41 N -1.00 -0.11 -0.67 0.00 5.08 -1.59 -1.78 114.58 114.52 2bic h GLU 41 Ca -0.09 0.01 0.06 0.00 -1.00 0.00 0.00 59.36 58.34 2bic h GLU 41 Cb 0.66 0.03 -0.08 0.00 0.50 0.00 0.00 28.75 29.85 2bic h GLU 41 CO 0.14 -0.08 -0.39 0.39 -1.00 0.00 0.00 179.01 178.08 2bic n GLU 42 N -4.66 -0.29 0.02 2.33 1.02 -1.21 -1.37 120.64 116.47 2bic n GLU 42 Ca -0.00 1.19 0.12 0.00 -0.02 0.00 0.00 57.16 58.44 2bic n GLU 42 Cb 0.22 -1.75 0.14 0.00 -0.02 0.00 0.00 31.44 30.02 2bic n GLU 42 CO 0.00 0.00 0.00 1.04 1.18 0.00 0.00 177.13 179.35 2bic n GLN 43 N -4.58 0.13 -3.71 3.49 1.13 -1.16 -3.78 117.38 108.89 2bic n GLN 43 Ca 0.01 0.01 -0.12 0.00 -1.94 0.00 0.00 57.00 54.97 2bic n GLN 43 Cb 0.17 -1.56 -0.13 0.00 0.11 0.00 0.00 30.24 28.84 2bic n GLN 43 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 2bic n GLY 45 N 4.43 1.45 3.47 0.00 0.00 -1.26 -3.69 105.19 109.58 2bic n GLY 45 Ca -0.22 -0.49 -0.44 0.00 0.00 0.00 0.00 46.02 44.87 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 6.73 -0.17 1.61 0.01 -1.25 -4.74 113.70 111.90 2bic s SER 46 Ca 0.00 -2.24 -0.29 0.00 1.31 0.00 0.00 55.95 54.73 2bic s SER 46 Cb 0.00 -2.42 -0.01 0.00 0.21 0.00 0.00 66.02 63.80 2bic s SER 46 CO 0.00 -1.04 1.13 0.42 0.41 0.00 0.00 173.24 174.17 2bic s THR 47 N 2.72 4.50 -0.27 1.44 -4.23 -1.23 -3.76 115.64 114.80 2bic s THR 47 Ca 0.37 1.81 -0.15 0.00 -1.18 0.00 0.00 61.69 62.54 2bic s THR 47 Cb -0.03 -4.17 -0.04 0.00 1.34 0.00 0.00 72.50 69.60 2bic s THR 47 CO -0.06 -0.11 0.38 0.42 -0.54 0.00 0.00 174.62 174.70 2bic s THR 48 N 2.99 5.17 0.09 3.99 -4.23 -1.25 -4.99 115.64 117.41 2bic s THR 48 Ca 0.50 0.57 -0.32 0.00 -1.18 0.00 0.00 61.69 61.26 2bic s THR 48 Cb -0.19 -3.71 -0.11 0.00 1.34 0.00 0.00 72.50 69.83 2bic s THR 48 CO 0.13 0.15 1.82 -2.65 -0.54 0.00 0.00 174.62 173.53 2bic n PRO 49 N 5.34 2.61 -3.65 3.99 -0.02 -1.26 -4.93 135.00 137.08 2bic n PRO 49 Ca -0.08 0.95 -0.09 0.00 -2.02 0.00 0.00 63.50 62.26 2bic n PRO 49 Cb 0.51 -2.83 -0.08 0.00 -0.02 0.00 0.00 33.50 31.08 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 2.86 -1.66 -0.79 3.55 0.00 -1.26 -5.10 121.76 119.36 2bic s ALA 50 Ca 0.84 2.15 -0.20 0.00 0.00 0.00 0.00 51.96 54.75 2bic s ALA 50 Cb -0.54 -1.27 0.11 0.00 0.00 0.00 0.00 23.12 21.41 2bic s ALA 50 CO 0.40 -0.35 1.01 -1.54 0.00 0.00 0.00 175.76 175.29 2bic s SER 51 N 1.44 6.41 0.00 0.00 1.04 -1.26 -5.23 113.70 116.10 2bic s SER 51 Ca -0.09 -1.59 0.00 0.00 0.48 0.00 0.00 55.95 54.75 2bic s SER 51 Cb -0.06 -2.39 0.00 0.00 0.10 0.00 0.00 66.02 63.67 2bic s SER 51 CO -0.16 -1.20 0.00 0.00 0.98 0.00 0.00 173.24 172.86