#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 5.28 -0.64 4.31 2.15 -1.26 -5.06 116.67 121.45 2bic s ASP 2 Ca 0.00 -1.44 -0.26 0.00 0.43 0.00 0.00 52.55 51.28 2bic s ASP 2 Cb 0.00 -1.85 0.04 0.00 -0.30 0.00 0.00 42.92 40.81 2bic s ASP 2 CO 0.00 -0.40 1.12 -2.16 -0.17 0.00 0.00 175.17 173.56 2bic s PRO 3 N 1.32 3.29 -0.43 4.34 0.04 -1.26 -4.98 135.00 137.32 2bic s PRO 3 Ca 0.01 -0.23 -0.21 0.00 0.04 0.00 0.00 61.00 60.60 2bic s PRO 3 Cb -0.21 -4.12 0.02 0.00 0.04 0.00 0.00 34.50 30.23 2bic s PRO 3 CO 0.00 -1.82 0.67 -1.17 0.04 0.00 0.00 177.00 174.72 2bic s LEU 4 N 4.82 4.43 0.85 -3.56 2.96 -1.26 -5.03 118.68 121.89 2bic s LEU 4 Ca 0.34 -0.25 -0.07 0.00 -0.22 0.00 0.00 54.13 53.92 2bic s LEU 4 Cb -0.11 -2.77 0.18 0.00 0.50 0.00 0.00 46.19 43.99 2bic s LEU 4 CO 0.18 -0.78 1.16 -0.31 -1.32 0.00 0.00 176.35 175.27 2bic s TYR 5 N 2.89 1.33 -0.19 5.38 2.02 -1.26 -4.78 117.35 122.74 2bic s TYR 5 Ca 0.24 -0.11 -0.02 0.00 -0.37 0.00 0.00 57.07 56.81 2bic s TYR 5 Cb -0.14 -3.50 -0.01 0.00 -0.40 0.00 0.00 41.96 37.91 2bic s TYR 5 CO 0.19 -2.24 -0.09 0.00 -1.57 0.00 0.00 175.55 171.84 2bic n GLN 7 N 4.39 0.33 -0.29 0.00 -0.06 -1.26 -4.85 117.38 115.64 2bic n GLN 7 Ca -0.19 -3.00 0.00 0.00 -2.00 0.00 0.00 57.00 51.81 2bic n GLN 7 Cb 0.51 -1.56 0.00 0.00 -4.06 0.00 0.00 30.24 25.13 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 2.58 0.00 -2.38 1.69 0.00 -1.26 -4.95 120.51 116.19 2bic n ALA 8 Ca 0.26 0.00 -0.39 0.00 0.00 0.00 0.00 53.44 53.32 2bic n ALA 8 Cb 0.50 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.92 2bic n ALA 8 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 2bic s ILE 9 N -0.13 3.64 0.00 0.00 1.01 -1.26 -3.30 121.20 121.15 2bic s ILE 9 Ca 0.00 0.05 0.00 0.00 0.00 0.00 0.00 60.65 60.70 2bic s ILE 9 Cb 0.00 -4.62 0.00 0.00 0.01 0.00 0.00 42.46 37.85 2bic s ILE 9 CO 0.00 -1.55 0.00 0.61 0.00 0.00 0.00 174.94 174.00 2bic n GLY 10 N 5.90 0.59 3.47 6.18 0.00 -1.26 -4.79 105.19 115.28 2bic n GLY 10 Ca 0.17 -0.22 -0.29 0.00 0.00 0.00 0.00 46.02 45.68 2bic n GLY 10 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2bic s PRO 12 N -2.22 -2.27 0.52 0.00 0.02 -1.26 -4.85 135.00 124.94 2bic s PRO 12 Ca 0.18 0.42 -0.20 0.00 0.02 0.00 0.00 61.00 61.42 2bic s PRO 12 Cb -0.10 -1.43 -0.07 0.00 0.02 0.00 0.00 34.50 32.92 2bic s PRO 12 CO 0.10 -4.51 1.08 0.95 -0.33 0.00 0.00 177.00 174.29 2bic s THR 13 N -2.31 3.49 -0.66 0.99 -4.23 -1.26 -4.77 115.64 106.89 2bic s THR 13 Ca 0.69 0.91 0.20 0.00 -1.18 0.00 0.00 61.69 62.30 2bic s THR 13 Cb -0.18 -3.36 0.19 0.00 1.34 0.00 0.00 72.50 70.49 2bic s THR 13 CO 0.61 -0.22 1.60 0.00 -0.54 0.00 0.00 174.62 176.07 2bic n LEU 14 N -1.20 0.42 0.08 4.79 -0.00 -1.26 -2.44 117.00 117.38 2bic n LEU 14 Ca 0.10 0.61 -0.12 0.00 -0.00 0.00 0.00 56.01 56.61 2bic n LEU 14 Cb 0.52 -0.56 -0.06 0.00 -0.00 0.00 0.00 43.42 43.32 2bic n LEU 14 CO 0.41 -0.48 0.15 1.88 -0.00 0.00 0.00 177.39 179.36 2bic h TYR 15 N 0.00 0.41 -4.18 1.47 0.05 -2.00 -3.42 116.97 109.30 2bic h TYR 15 Ca 0.00 -0.25 -0.48 0.00 0.05 0.00 0.00 58.73 58.05 2bic h TYR 15 Cb 0.29 -0.04 0.05 0.00 1.01 0.00 0.00 36.73 38.04 2bic h TYR 15 CO 0.00 1.10 0.38 -1.54 -1.05 0.00 0.00 178.16 177.05 2bic s SER 16 N -7.01 6.09 0.42 3.88 1.04 -1.02 -4.96 113.70 112.13 2bic s SER 16 Ca -0.04 1.77 0.19 0.00 0.48 0.00 0.00 55.95 58.35 2bic s SER 16 Cb 0.09 -2.53 0.95 0.00 0.10 0.00 0.00 66.02 64.63 2bic s SER 16 CO 0.85 -0.96 1.89 -0.08 0.98 0.00 0.00 173.24 175.92 2bic h GLU 17 N 0.74 0.00 -0.30 4.02 4.81 -1.88 -3.18 114.58 118.78 2bic h GLU 17 Ca -0.47 0.00 0.01 0.00 -0.13 0.00 0.00 59.36 58.76 2bic h GLU 17 Cb 1.21 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 30.57 2bic h GLU 17 CO 0.59 0.28 0.19 0.00 -0.73 0.00 0.00 179.01 179.34 2bic h ALA 18 N 1.72 0.38 -0.08 2.92 0.00 -1.93 -2.61 119.26 119.65 2bic h ALA 18 Ca -0.00 -0.02 -0.13 0.00 0.00 0.00 0.00 54.91 54.76 2bic h ALA 18 Cb 0.60 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.26 2bic h ALA 18 CO 0.04 -0.17 -0.53 -0.97 0.00 0.00 0.00 179.25 177.62 2bic h ASN 19 N 0.39 0.25 -0.34 0.00 -1.24 -1.74 -3.09 115.58 109.82 2bic h ASN 19 Ca 0.11 -0.13 -0.02 0.00 0.71 0.00 0.00 56.30 56.97 2bic h ASN 19 Cb -0.03 -0.07 -0.02 0.00 0.73 0.00 0.00 38.32 38.93 2bic h ASN 19 CO -0.04 0.73 0.15 -0.07 -1.29 0.00 0.00 177.43 176.91 2bic h LEU 20 N 0.18 0.51 -1.10 0.34 3.38 -1.49 -1.86 115.31 115.27 2bic h LEU 20 Ca 0.00 -0.06 -0.06 0.00 0.09 0.00 0.00 57.88 57.86 2bic h LEU 20 Cb 0.99 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 41.59 2bic h LEU 20 CO 0.08 0.48 -0.04 0.00 0.09 0.00 0.00 178.44 179.05 2bic h ALA 21 N 1.60 1.26 -0.06 1.53 0.00 -1.39 -0.56 119.26 121.64 2bic h ALA 21 Ca 0.14 -0.24 -0.01 0.00 0.00 0.00 0.00 54.91 54.80 2bic h ALA 21 Cb 0.14 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 17.77 2bic h ALA 21 CO -0.01 0.49 0.01 0.28 0.00 0.00 0.00 179.25 180.02 2bic h VAL 22 N 0.55 1.21 0.00 0.00 2.07 -1.36 -2.77 116.25 115.96 2bic h VAL 22 Ca 0.11 -0.64 -0.05 0.00 0.82 0.00 0.00 66.70 66.93 2bic h VAL 22 Cb 0.42 1.53 -0.01 0.00 -1.52 0.00 0.00 31.29 31.71 2bic h VAL 22 CO 0.02 0.18 -0.26 0.77 0.02 0.00 0.00 177.57 178.30 2bic h SER 23 N -0.15 0.00 0.44 0.57 4.64 -1.37 -1.66 113.55 116.03 2bic h SER 23 Ca 0.02 0.00 -0.06 0.00 -0.47 0.00 0.00 61.79 61.28 2bic h SER 23 Cb 0.27 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.35 2bic h SER 23 CO 0.00 0.26 -0.29 0.50 -0.87 0.00 0.00 176.83 176.43 2bic h LYS 24 N 0.00 0.00 0.13 4.77 3.64 -0.90 -0.51 116.57 123.71 2bic h LYS 24 Ca -0.00 0.00 -0.34 0.00 -1.27 0.00 0.00 60.65 59.04 2bic h LYS 24 Cb 0.46 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.28 2bic h LYS 24 CO 0.03 0.29 -1.75 1.49 -2.27 0.00 0.00 179.45 177.24 2bic h GLU 25 N 0.00 0.28 0.61 1.90 4.57 -1.30 -3.42 114.58 117.23 2bic h GLU 25 Ca -0.00 -0.49 -0.03 0.00 -1.18 0.00 0.00 59.36 57.66 2bic h GLU 25 Cb 0.59 0.18 0.01 0.00 -0.16 0.00 0.00 28.75 29.36 2bic h GLU 25 CO 0.04 1.16 -0.29 0.00 -1.18 0.00 0.00 179.01 178.73 2bic n ARG 27 N -5.03 -0.07 0.16 0.00 1.74 -0.22 -0.64 116.66 112.61 2bic n ARG 27 Ca -0.10 1.25 0.13 0.00 -0.77 0.00 0.00 57.85 58.36 2bic n ARG 27 Cb 0.32 -2.02 0.68 0.00 -1.02 0.00 0.00 32.46 30.42 2bic n ARG 27 CO 0.00 0.00 0.00 0.22 -1.52 0.00 0.00 177.63 176.33 2bic h ASP 28 N 0.00 0.00 0.31 0.55 3.58 -1.80 -2.68 116.42 116.39 2bic h ASP 28 Ca 0.54 0.00 -0.02 0.00 0.42 0.00 0.00 57.03 57.97 2bic h ASP 28 Cb 1.17 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.22 2bic h ASP 28 CO -0.78 0.00 -0.15 1.56 -2.88 0.00 0.00 179.24 176.99 2bic h GLN 29 N 0.00 -0.41 -1.11 0.28 1.08 -1.05 -3.49 115.11 110.41 2bic h GLN 29 Ca 0.10 0.03 0.00 0.00 -1.45 0.00 0.00 58.65 57.33 2bic h GLN 29 Cb 0.41 0.09 0.00 0.00 -0.05 0.00 0.00 27.48 27.93 2bic h GLN 29 CO -0.00 -0.13 0.00 0.41 -0.95 0.00 0.00 178.83 178.16 2bic n GLY 30 N -0.64 -1.01 2.70 3.46 0.00 -1.01 -5.09 105.19 103.60 2bic n GLY 30 Ca -0.10 -0.64 -0.20 0.00 0.00 0.00 0.00 46.02 45.08 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 -0.28 0.28 0.40 1.61 2.20 -1.26 -5.11 119.74 117.57 2bic s LYS 31 Ca 0.00 -0.21 -0.06 0.00 -0.36 0.00 0.00 55.97 55.34 2bic s LYS 31 Cb 0.00 -0.84 -0.05 0.00 -1.51 0.00 0.00 37.83 35.43 2bic s LYS 31 CO 0.00 -0.99 0.71 -0.51 -0.36 0.00 0.00 175.35 174.20 2bic s LEU 32 N 2.29 3.82 0.00 5.43 1.02 -1.26 -4.06 118.68 125.92 2bic s LEU 32 Ca 0.09 0.90 0.00 0.00 0.02 0.00 0.00 54.13 55.14 2bic s LEU 32 Cb -0.15 -3.79 0.00 0.00 0.02 0.00 0.00 46.19 42.27 2bic s LEU 32 CO -0.32 -0.41 0.00 0.61 0.02 0.00 0.00 176.35 176.25 2bic n GLY 33 N -1.64 2.06 3.47 -3.19 0.00 -1.26 -4.80 105.19 99.83 2bic n GLY 33 Ca 0.00 -0.39 -0.43 0.00 0.00 0.00 0.00 46.02 45.20 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 -1.92 6.25 -0.16 1.61 1.01 -1.26 -5.00 116.67 117.19 2bic s ASP 34 Ca 0.00 -0.77 -0.29 0.00 0.71 0.00 0.00 52.55 52.20 2bic s ASP 34 Cb 0.00 -2.37 -0.05 0.00 1.01 0.00 0.00 42.92 41.51 2bic s ASP 34 CO 0.00 -1.16 1.86 -0.62 0.21 0.00 0.00 175.17 175.46 2bic s ASP 35 N 3.05 6.15 -0.02 0.27 2.15 -1.26 -4.53 116.67 122.48 2bic s ASP 35 Ca 0.22 1.93 -0.00 0.00 0.43 0.00 0.00 52.55 55.12 2bic s ASP 35 Cb -0.17 -2.53 -0.01 0.00 -0.30 0.00 0.00 42.92 39.92 2bic s ASP 35 CO 0.14 -1.40 0.13 2.22 -0.17 0.00 0.00 175.17 176.08 2bic n PHE 36 N 9.11 0.00 0.81 -5.34 1.16 -1.26 -4.76 117.46 117.18 2bic n PHE 36 Ca 0.22 0.00 0.12 0.00 -1.87 0.00 0.00 57.45 55.92 2bic n PHE 36 Cb 0.44 -0.05 0.25 0.00 -1.61 0.00 0.00 39.48 38.52 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 0.48 0.26 -0.05 2.97 -0.00 -1.26 -1.84 115.22 115.78 2bic n HIS 37 Ca 0.01 0.07 -0.01 0.00 0.46 0.00 0.00 57.72 58.25 2bic n HIS 37 Cb 0.04 -0.46 -0.00 0.00 -0.12 0.00 0.00 29.99 29.45 2bic n HIS 37 CO 0.00 0.00 0.00 0.00 0.46 0.00 0.00 176.34 176.80 2bic h ARG 38 N 0.00 0.00 -0.97 1.57 3.08 -1.97 -3.30 114.38 112.79 2bic h ARG 38 Ca 0.00 0.00 0.31 0.00 0.07 0.00 0.00 59.98 60.36 2bic h ARG 38 Cb 0.61 0.00 -0.16 0.00 0.08 0.00 0.00 29.97 30.50 2bic h ARG 38 CO 0.00 0.00 0.41 0.00 -1.07 0.00 0.00 179.97 179.31 2bic h GLU 41 N -0.37 -0.60 -0.12 0.00 4.11 -1.34 -3.37 114.58 112.89 2bic h GLU 41 Ca -0.01 0.04 0.01 0.00 0.07 0.00 0.00 59.36 59.47 2bic h GLU 41 Cb 0.31 0.14 -0.01 0.00 0.50 0.00 0.00 28.75 29.68 2bic h GLU 41 CO 0.02 -0.31 -0.07 -1.91 0.07 0.00 0.00 179.01 176.81 2bic n GLU 42 N -5.20 -0.05 -1.68 1.06 4.07 0.04 -0.89 120.64 117.99 2bic n GLU 42 Ca -0.09 0.65 -0.31 0.00 -0.06 0.00 0.00 57.16 57.34 2bic n GLU 42 Cb 0.29 -0.96 -0.04 0.00 -0.06 0.00 0.00 31.44 30.67 2bic n GLU 42 CO 0.00 0.00 0.00 0.94 -0.06 0.00 0.00 177.13 178.01 2bic n GLN 43 N -3.03 3.05 0.14 5.31 7.27 -1.20 -4.32 117.38 124.60 2bic n GLN 43 Ca 0.00 -2.77 0.00 0.00 0.07 0.00 0.00 57.00 54.30 2bic n GLN 43 Cb 0.03 -2.28 0.00 0.00 2.41 0.00 0.00 30.24 30.40 2bic n GLN 43 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 2bic s GLY 45 N -2.00 -1.40 0.39 0.00 0.00 -0.07 -4.89 107.32 99.36 2bic s GLY 45 Ca 0.00 0.08 -0.01 0.00 0.00 0.00 0.00 44.72 44.78 2bic s GLY 45 CO 0.00 3.83 0.62 -0.45 0.00 0.00 0.00 173.10 177.11 2bic s SER 46 N 1.25 6.29 0.00 1.64 0.15 -1.21 -4.69 113.70 117.13 2bic s SER 46 Ca 0.24 0.60 0.00 0.00 0.70 0.00 0.00 55.95 57.49 2bic s SER 46 Cb 0.01 -2.10 0.00 0.00 -1.71 0.00 0.00 66.02 62.22 2bic s SER 46 CO -0.07 -0.39 0.00 1.07 1.20 0.00 0.00 173.24 175.05 2bic n THR 47 N -1.93 0.00 -3.53 6.45 5.66 -1.26 -5.06 114.28 114.61 2bic n THR 47 Ca -0.03 0.00 -0.24 0.00 -3.05 0.00 0.00 64.05 60.73 2bic n THR 47 Cb 0.56 0.00 -0.14 0.00 -1.55 0.00 0.00 70.33 69.20 2bic n THR 47 CO 0.00 0.00 0.00 -0.89 -3.05 0.00 0.00 175.07 171.13 2bic s THR 48 N 0.00 -0.19 0.09 1.09 2.01 -1.26 -5.05 115.64 112.33 2bic s THR 48 Ca 0.00 -0.39 -0.27 0.00 0.31 0.00 0.00 61.69 61.35 2bic s THR 48 Cb 0.00 -0.79 -0.13 0.00 0.01 0.00 0.00 72.50 71.59 2bic s THR 48 CO 0.00 -0.43 1.68 -0.65 -0.69 0.00 0.00 174.62 174.53 2bic h PRO 49 N 8.37 -0.37 0.00 4.92 0.11 -1.98 -3.46 132.00 139.59 2bic h PRO 49 Ca -0.17 0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.97 2bic h PRO 49 Cb 1.10 0.08 0.00 0.00 0.11 0.00 0.00 31.00 32.29 2bic h PRO 49 CO 0.34 -0.24 0.00 0.00 -0.21 0.00 0.00 178.00 177.89 2bic n ALA 50 N -2.36 0.00 -0.04 -0.75 0.00 -1.26 -4.87 120.51 111.23 2bic n ALA 50 Ca -0.08 0.00 -0.21 0.00 0.00 0.00 0.00 53.44 53.15 2bic n ALA 50 Cb 0.20 0.00 -0.13 0.00 0.00 0.00 0.00 19.45 19.52 2bic n ALA 50 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 2bic h SER 51 N 0.00 0.22 0.00 0.00 4.64 -2.04 -3.51 113.55 112.87 2bic h SER 51 Ca 0.00 -0.75 0.00 0.00 -0.47 0.00 0.00 61.79 60.57 2bic h SER 51 Cb 0.00 -0.07 0.00 0.00 -0.31 0.00 0.00 62.40 62.02 2bic h SER 51 CO 0.00 1.58 0.00 0.00 -0.87 0.00 0.00 176.83 177.54