#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 -0.30 0.76 4.31 -4.77 -1.26 -5.17 116.67 110.24 2bic s ASP 2 Ca 0.00 0.18 -0.11 0.00 -3.30 0.00 0.00 52.55 49.32 2bic s ASP 2 Cb 0.00 0.38 0.04 0.00 -1.09 0.00 0.00 42.92 42.25 2bic s ASP 2 CO 0.00 -0.53 1.10 -2.16 0.70 0.00 0.00 175.17 174.28 2bic s PRO 3 N -1.56 2.44 0.00 2.11 0.04 -1.26 -5.07 135.00 131.71 2bic s PRO 3 Ca -0.11 0.54 0.00 0.00 0.04 0.00 0.00 61.00 61.47 2bic s PRO 3 Cb -0.03 -1.97 0.00 0.00 0.04 0.00 0.00 34.50 32.54 2bic s PRO 3 CO 0.04 -1.35 0.00 -0.11 0.04 0.00 0.00 177.00 175.62 2bic n LEU 4 N -3.23 0.00 -5.01 -3.56 0.00 -1.26 -5.17 117.00 98.77 2bic n LEU 4 Ca 0.07 0.00 -0.19 0.00 0.00 0.00 0.00 56.01 55.89 2bic n LEU 4 Cb 0.57 0.00 0.03 0.00 0.00 0.00 0.00 43.42 44.02 2bic n LEU 4 CO 0.57 0.00 0.25 -0.31 0.00 0.00 0.00 177.39 177.90 2bic s TYR 5 N 0.00 2.46 -0.25 1.96 2.02 -1.26 -4.66 117.35 117.62 2bic s TYR 5 Ca 0.00 -0.39 -0.02 0.00 -0.37 0.00 0.00 57.07 56.29 2bic s TYR 5 Cb 0.00 -2.44 0.03 0.00 -0.40 0.00 0.00 41.96 39.15 2bic s TYR 5 CO 0.00 -0.72 -0.05 0.00 -1.57 0.00 0.00 175.55 173.21 2bic n GLN 7 N 4.67 3.91 -4.11 0.00 7.27 -1.26 -4.91 117.38 122.94 2bic n GLN 7 Ca -0.16 -4.51 -0.27 0.00 0.07 0.00 0.00 57.00 52.13 2bic n GLN 7 Cb 0.47 -2.53 -0.06 0.00 2.41 0.00 0.00 30.24 30.53 2bic n GLN 7 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 2bic s ALA 8 N -1.96 3.45 0.16 1.69 0.00 -1.26 -4.95 121.76 118.89 2bic s ALA 8 Ca 0.31 -1.22 -0.10 0.00 0.00 0.00 0.00 51.96 50.95 2bic s ALA 8 Cb -0.03 -1.27 0.01 0.00 0.00 0.00 0.00 23.12 21.83 2bic s ALA 8 CO -0.00 0.55 1.56 0.97 0.00 0.00 0.00 175.76 178.83 2bic h ILE 9 N 2.29 1.27 -0.63 0.00 6.09 -1.94 -2.81 117.51 121.77 2bic h ILE 9 Ca -0.47 -1.37 -0.35 0.00 -1.37 0.00 0.00 64.86 61.30 2bic h ILE 9 Cb 1.19 1.10 -0.19 0.00 0.47 0.00 0.00 36.82 39.39 2bic h ILE 9 CO 0.62 0.48 0.44 0.61 -3.07 0.00 0.00 178.15 177.23 2bic n GLY 10 N -0.13 3.76 3.47 8.18 0.00 -1.26 -4.86 105.19 114.35 2bic n GLY 10 Ca 0.00 -0.82 -0.28 0.00 0.00 0.00 0.00 46.02 44.92 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 0.49 -2.01 -1.71 0.00 -0.04 -1.26 -4.84 135.00 125.63 2bic n PRO 12 Ca -0.14 -1.00 -0.38 0.00 -0.04 0.00 0.00 63.50 61.94 2bic n PRO 12 Cb 0.54 -0.90 0.06 0.00 -0.04 0.00 0.00 33.50 33.17 2bic n PRO 12 CO 0.00 0.00 0.00 -2.37 -0.04 0.00 0.00 175.50 173.09 2bic n THR 13 N -3.72 4.45 -0.09 0.52 5.66 -1.26 -4.78 114.28 115.06 2bic n THR 13 Ca 0.09 -0.50 -0.08 0.00 -3.05 0.00 0.00 64.05 60.50 2bic n THR 13 Cb 0.33 -1.46 -0.01 0.00 -1.55 0.00 0.00 70.33 67.64 2bic n THR 13 CO 0.00 0.00 0.00 -0.07 -3.05 0.00 0.00 175.07 171.95 2bic h LEU 14 N 0.73 0.31 -8.19 1.09 3.38 -1.92 -3.35 115.31 107.36 2bic h LEU 14 Ca -0.50 0.00 -0.62 0.00 0.09 0.00 0.00 57.88 56.85 2bic h LEU 14 Cb 1.34 -0.07 -0.13 0.00 0.09 0.00 0.00 40.66 41.89 2bic h LEU 14 CO 0.53 0.23 0.90 -0.31 0.09 0.00 0.00 178.44 179.88 2bic s TYR 15 N -6.16 2.65 0.00 1.13 2.02 -1.26 -4.51 117.35 111.21 2bic s TYR 15 Ca -0.13 -0.67 0.00 0.00 -0.37 0.00 0.00 57.07 55.90 2bic s TYR 15 Cb 0.10 -4.44 0.00 0.00 -0.40 0.00 0.00 41.96 37.22 2bic s TYR 15 CO 0.71 -1.77 0.00 -1.13 -1.57 0.00 0.00 175.55 171.79 2bic n SER 16 N 8.07 0.00 0.08 2.29 3.41 -1.26 -5.02 113.62 121.19 2bic n SER 16 Ca 0.10 0.00 0.04 0.00 -0.26 0.00 0.00 58.87 58.75 2bic n SER 16 Cb 0.48 0.00 0.44 0.00 -0.26 0.00 0.00 64.21 64.87 2bic n SER 16 CO 0.00 0.00 0.00 -0.33 -0.16 0.00 0.00 175.04 174.55 2bic h GLU 17 N 0.00 0.36 -0.17 4.33 4.39 -1.92 -2.28 114.58 119.30 2bic h GLU 17 Ca 0.00 -0.04 -0.00 0.00 0.34 0.00 0.00 59.36 59.65 2bic h GLU 17 Cb 0.00 -0.07 -0.01 0.00 -0.10 0.00 0.00 28.75 28.57 2bic h GLU 17 CO 0.00 0.32 0.09 0.00 -1.16 0.00 0.00 179.01 178.26 2bic h ALA 18 N 1.73 0.21 -0.50 3.43 0.00 -1.95 -1.23 119.26 120.94 2bic h ALA 18 Ca 0.09 -0.07 -0.12 0.00 0.00 0.00 0.00 54.91 54.81 2bic h ALA 18 Cb 0.12 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.83 2bic h ALA 18 CO -0.01 -0.24 -0.17 -0.97 0.00 0.00 0.00 179.25 177.87 2bic h ASN 19 N 0.15 1.02 -0.83 0.00 -0.73 -1.71 -3.12 115.58 110.37 2bic h ASN 19 Ca 0.06 -0.38 -0.01 0.00 1.87 0.00 0.00 56.30 57.84 2bic h ASN 19 Cb 0.09 -0.28 -0.04 0.00 0.27 0.00 0.00 38.32 38.36 2bic h ASN 19 CO -0.01 1.17 0.48 -0.07 -0.37 0.00 0.00 177.43 178.62 2bic h LEU 20 N 0.87 1.02 -0.87 0.34 3.38 -1.30 -1.50 115.31 117.25 2bic h LEU 20 Ca 0.12 -0.08 -0.03 0.00 0.09 0.00 0.00 57.88 57.99 2bic h LEU 20 Cb 0.74 -0.26 -0.04 0.00 0.09 0.00 0.00 40.66 41.19 2bic h LEU 20 CO 0.06 0.81 0.42 0.00 0.09 0.00 0.00 178.44 179.81 2bic h ALA 21 N 1.36 1.12 -0.20 1.53 0.00 -1.20 -1.76 119.26 120.12 2bic h ALA 21 Ca 0.30 -0.16 -0.07 0.00 0.00 0.00 0.00 54.91 54.98 2bic h ALA 21 Cb -0.00 -0.34 -0.00 0.00 0.00 0.00 0.00 17.79 17.44 2bic h ALA 21 CO -0.05 0.67 -0.14 0.28 0.00 0.00 0.00 179.25 180.01 2bic h VAL 22 N 1.22 1.32 -0.69 0.00 2.07 -1.42 -2.80 116.25 115.94 2bic h VAL 22 Ca 0.30 -1.24 -0.04 0.00 0.82 0.00 0.00 66.70 66.53 2bic h VAL 22 Cb 0.11 1.69 -0.03 0.00 -1.52 0.00 0.00 31.29 31.54 2bic h VAL 22 CO -0.04 0.38 0.29 0.77 0.02 0.00 0.00 177.57 178.99 2bic h SER 23 N 0.13 0.94 0.61 0.57 4.64 -1.16 -2.80 113.55 116.49 2bic h SER 23 Ca 0.04 -0.16 -0.15 0.00 -0.47 0.00 0.00 61.79 61.05 2bic h SER 23 Cb 0.65 -0.24 -0.02 0.00 -0.31 0.00 0.00 62.40 62.48 2bic h SER 23 CO 0.04 0.84 -0.70 0.07 -0.87 0.00 0.00 176.83 176.21 2bic h LYS 24 N 0.97 0.07 0.06 4.77 2.10 -1.39 -2.32 116.57 120.84 2bic h LYS 24 Ca 0.23 -0.06 -0.00 0.00 -2.00 0.00 0.00 60.65 58.82 2bic h LYS 24 Cb 0.19 0.01 0.00 0.00 -0.90 0.00 0.00 32.23 31.53 2bic h LYS 24 CO -0.02 0.74 -0.03 1.49 -2.00 0.00 0.00 179.45 179.63 2bic h GLU 25 N 0.05 -0.08 0.00 0.07 4.81 -1.37 -2.74 114.58 115.32 2bic h GLU 25 Ca -0.01 0.01 -0.15 0.00 -0.13 0.00 0.00 59.36 59.07 2bic h GLU 25 Cb 1.24 0.02 -0.02 0.00 0.63 0.00 0.00 28.75 30.62 2bic h GLU 25 CO 0.10 0.32 -0.72 0.00 -0.73 0.00 0.00 179.01 177.98 2bic h ARG 27 N 0.00 1.09 -0.51 0.00 2.43 -1.49 -0.66 114.38 115.25 2bic h ARG 27 Ca -0.01 -0.07 -0.04 0.00 -0.81 0.00 0.00 59.98 59.06 2bic h ARG 27 Cb 1.39 -0.25 -0.02 0.00 -0.42 0.00 0.00 29.97 30.67 2bic h ARG 27 CO 0.09 0.72 0.15 0.22 -1.51 0.00 0.00 179.97 179.65 2bic h ASP 28 N 1.12 0.70 0.24 -3.80 1.82 -1.38 -3.01 116.42 112.11 2bic h ASP 28 Ca 0.36 -0.11 -0.01 0.00 -0.39 0.00 0.00 57.03 56.89 2bic h ASP 28 Cb 0.02 -0.18 0.00 0.00 0.68 0.00 0.00 39.33 39.85 2bic h ASP 28 CO -0.12 0.67 -0.11 1.56 -1.61 0.00 0.00 179.24 179.62 2bic h GLN 29 N 0.74 -0.31 0.00 0.28 1.08 -1.37 -3.45 115.11 112.08 2bic h GLN 29 Ca 0.17 0.02 0.00 0.00 -1.45 0.00 0.00 58.65 57.39 2bic h GLN 29 Cb 0.23 0.07 0.00 0.00 -0.05 0.00 0.00 27.48 27.73 2bic h GLN 29 CO -0.01 0.06 0.00 0.41 -0.95 0.00 0.00 178.83 178.34 2bic n GLY 30 N 0.14 0.61 0.00 3.46 0.00 -0.29 -5.11 105.19 104.00 2bic n GLY 30 Ca -0.09 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.93 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 -4.69 1.61 3.00 -1.14 -4.96 118.16 111.98 2bic n LYS 31 Ca 0.00 0.00 -0.29 0.00 -0.00 0.00 0.00 58.31 58.02 2bic n LYS 31 Cb 0.00 0.00 -0.17 0.00 0.00 0.00 0.00 35.03 34.86 2bic n LYS 31 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.40 176.89 2bic s LEU 32 N 0.00 1.84 0.00 3.14 1.43 -1.26 -4.80 118.68 119.03 2bic s LEU 32 Ca 0.00 -0.45 0.00 0.00 -1.03 0.00 0.00 54.13 52.65 2bic s LEU 32 Cb 0.00 -1.15 0.00 0.00 0.03 0.00 0.00 46.19 45.07 2bic s LEU 32 CO 0.00 0.06 0.00 0.61 0.23 0.00 0.00 176.35 177.25 2bic n GLY 33 N 3.94 -0.55 0.18 -3.19 0.00 -1.26 -4.95 105.19 99.36 2bic n GLY 33 Ca -0.20 -0.62 -0.11 0.00 0.00 0.00 0.00 46.02 45.09 2bic n GLY 33 CO 0.00 0.00 0.00 1.29 0.00 0.00 0.00 173.32 174.61 2bic h ASP 34 N 0.00 0.51 0.00 1.61 2.03 -2.06 -3.40 116.42 115.12 2bic h ASP 34 Ca 0.00 -0.34 0.00 0.00 -0.73 0.00 0.00 57.03 55.96 2bic h ASP 34 Cb 0.00 -0.15 0.00 0.00 -0.83 0.00 0.00 39.33 38.35 2bic h ASP 34 CO 0.00 1.09 0.00 -0.67 -1.03 0.00 0.00 179.24 178.63 2bic n ASP 35 N -3.83 0.00 0.27 4.15 -0.08 -1.26 -1.71 116.55 114.08 2bic n ASP 35 Ca -0.05 0.00 0.16 0.00 -1.51 0.00 0.00 54.79 53.39 2bic n ASP 35 Cb 0.72 0.00 0.88 0.00 2.34 0.00 0.00 41.12 45.06 2bic n ASP 35 CO 0.00 0.00 0.00 -0.26 0.12 0.00 0.00 177.20 177.06 2bic h PHE 36 N 0.00 0.00 0.51 -0.67 0.04 -1.96 -0.85 116.94 114.02 2bic h PHE 36 Ca 0.00 0.00 -0.02 0.00 2.80 0.00 0.00 57.97 60.75 2bic h PHE 36 Cb 0.00 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.15 2bic h PHE 36 CO 0.00 0.00 -0.24 1.25 -0.60 0.00 0.00 178.31 178.72 2bic h HIS 37 N 0.00 -0.63 0.56 -0.55 2.76 -1.68 -2.80 115.15 112.81 2bic h HIS 37 Ca 0.03 -0.01 -0.03 0.00 -2.20 0.00 0.00 60.37 58.16 2bic h HIS 37 Cb 0.17 0.21 0.01 0.00 1.55 0.00 0.00 27.41 29.35 2bic h HIS 37 CO 0.00 -0.31 -0.27 0.00 -1.30 0.00 0.00 177.93 176.05 2bic h ARG 38 N -1.03 -0.73 -1.07 5.26 3.08 -1.75 -2.79 114.38 115.36 2bic h ARG 38 Ca -0.07 0.05 0.31 0.00 0.07 0.00 0.00 59.98 60.34 2bic h ARG 38 Cb 0.61 0.16 -0.04 0.00 0.08 0.00 0.00 29.97 30.78 2bic h ARG 38 CO 0.11 -0.48 0.81 0.00 -1.07 0.00 0.00 179.97 179.34 2bic h GLU 41 N -0.53 0.60 0.08 0.00 4.57 -0.54 -2.43 114.58 116.33 2bic h GLU 41 Ca -0.30 -0.04 -0.00 0.00 -1.18 0.00 0.00 59.36 57.84 2bic h GLU 41 Cb 1.59 -0.14 0.00 0.00 -0.16 0.00 0.00 28.75 30.04 2bic h GLU 41 CO -0.02 0.40 -0.04 1.05 -1.18 0.00 0.00 179.01 179.21 2bic h GLU 42 N 0.62 -0.11 -3.18 1.92 4.11 -1.61 -3.39 114.58 112.94 2bic h GLU 42 Ca 0.55 0.01 -0.77 0.00 0.07 0.00 0.00 59.36 59.22 2bic h GLU 42 Cb 0.91 0.02 -0.17 0.00 0.50 0.00 0.00 28.75 30.02 2bic h GLU 42 CO -0.42 0.25 1.85 1.04 0.07 0.00 0.00 179.01 181.80 2bic n GLN 43 N -4.81 4.02 -3.56 1.06 6.02 -1.03 -4.89 117.38 114.19 2bic n GLN 43 Ca -0.05 -3.73 -0.12 0.00 -0.01 0.00 0.00 57.00 53.09 2bic n GLN 43 Cb 0.20 -2.78 -0.05 0.00 1.02 0.00 0.00 30.24 28.63 2bic n GLN 43 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2bic n GLY 45 N 0.66 -0.91 3.80 0.00 0.00 -1.26 -4.83 105.19 102.64 2bic n GLY 45 Ca -0.12 -0.13 -0.38 0.00 0.00 0.00 0.00 46.02 45.39 2bic n GLY 45 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2bic s SER 46 N -4.00 6.90 -0.07 1.61 1.04 -1.26 -4.53 113.70 113.39 2bic s SER 46 Ca 0.00 1.07 -0.09 0.00 0.48 0.00 0.00 55.95 57.41 2bic s SER 46 Cb 0.00 -2.31 -0.06 0.00 0.10 0.00 0.00 66.02 63.75 2bic s SER 46 CO 0.00 0.22 0.37 0.74 0.98 0.00 0.00 173.24 175.54 2bic h THR 47 N 3.90 0.11 -3.38 2.02 2.02 -2.00 -3.44 112.91 112.13 2bic h THR 47 Ca -0.48 -0.86 -0.55 0.00 0.77 0.00 0.00 66.41 65.29 2bic h THR 47 Cb 1.21 0.19 -0.04 0.00 -1.74 0.00 0.00 68.15 67.77 2bic h THR 47 CO 0.66 0.03 0.08 0.28 0.37 0.00 0.00 175.52 176.94 2bic s THR 48 N -2.51 4.69 -0.32 3.16 -1.32 -1.26 -5.02 115.64 113.06 2bic s THR 48 Ca -0.05 1.47 -0.29 0.00 -1.21 0.00 0.00 61.69 61.61 2bic s THR 48 Cb 0.00 -4.03 0.01 0.00 -1.51 0.00 0.00 72.50 66.97 2bic s THR 48 CO 0.16 0.45 1.15 -2.16 -2.21 0.00 0.00 174.62 172.02 2bic s PRO 49 N -0.57 4.01 -0.28 7.08 0.04 -1.26 -4.99 135.00 139.04 2bic s PRO 49 Ca 0.34 1.11 -0.26 0.00 0.04 0.00 0.00 61.00 62.23 2bic s PRO 49 Cb -0.20 -3.79 0.00 0.00 0.04 0.00 0.00 34.50 30.55 2bic s PRO 49 CO 0.22 -0.99 0.91 0.00 0.04 0.00 0.00 177.00 177.17 2bic s ALA 50 N 3.91 3.59 -0.14 8.56 0.00 -1.26 -5.01 121.76 131.41 2bic s ALA 50 Ca 0.49 -0.15 -0.09 0.00 0.00 0.00 0.00 51.96 52.21 2bic s ALA 50 Cb -0.13 -3.42 0.05 0.00 0.00 0.00 0.00 23.12 19.61 2bic s ALA 50 CO 0.19 -1.15 0.34 -1.54 0.00 0.00 0.00 175.76 173.59 2bic s SER 51 N 1.47 -0.39 0.00 0.00 1.04 -1.26 -5.26 113.70 109.30 2bic s SER 51 Ca 0.38 0.71 0.00 0.00 0.48 0.00 0.00 55.95 57.53 2bic s SER 51 Cb -0.14 0.64 0.00 0.00 0.10 0.00 0.00 66.02 66.62 2bic s SER 51 CO 0.10 -0.16 0.00 0.00 0.98 0.00 0.00 173.24 174.16