#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 6.55 -1.23 1.62 1.11 -1.26 -4.96 116.67 118.50 2bic s ASP 2 Ca 0.00 1.37 -0.19 0.00 0.18 0.00 0.00 52.55 53.90 2bic s ASP 2 Cb 0.00 -2.42 0.06 0.00 1.07 0.00 0.00 42.92 41.63 2bic s ASP 2 CO 0.00 -0.53 1.68 -2.16 1.18 0.00 0.00 175.17 175.35 2bic s PRO 3 N -4.06 3.84 -0.27 8.23 0.04 -1.26 -4.84 135.00 136.68 2bic s PRO 3 Ca 0.55 -1.76 -0.04 0.00 0.04 0.00 0.00 61.00 59.79 2bic s PRO 3 Cb -0.10 -5.49 0.15 0.00 0.04 0.00 0.00 34.50 29.10 2bic s PRO 3 CO 0.33 -2.31 0.54 -1.17 0.04 0.00 0.00 177.00 174.42 2bic s LEU 4 N 4.66 -1.07 0.29 -3.56 2.96 -1.26 -5.15 118.68 115.56 2bic s LEU 4 Ca 0.53 0.89 -0.17 0.00 -0.22 0.00 0.00 54.13 55.15 2bic s LEU 4 Cb 0.03 1.85 -0.09 0.00 0.50 0.00 0.00 46.19 48.48 2bic s LEU 4 CO 0.04 -0.26 0.75 -0.31 -1.32 0.00 0.00 176.35 175.26 2bic s TYR 5 N 2.76 3.48 -0.52 5.38 2.02 -1.26 -4.93 117.35 124.28 2bic s TYR 5 Ca 0.11 1.32 -0.25 0.00 -0.37 0.00 0.00 57.07 57.88 2bic s TYR 5 Cb -0.14 -2.60 0.03 0.00 -0.40 0.00 0.00 41.96 38.85 2bic s TYR 5 CO -0.18 0.17 0.96 0.00 -1.57 0.00 0.00 175.55 174.92 2bic s GLN 7 N 3.96 4.18 0.00 0.00 0.74 -1.26 -4.92 119.66 122.36 2bic s GLN 7 Ca 0.34 -3.18 0.00 0.00 0.05 0.00 0.00 55.36 52.57 2bic s GLN 7 Cb -0.11 -4.56 0.00 0.00 1.10 0.00 0.00 33.01 29.44 2bic s GLN 7 CO 0.23 -1.25 0.00 0.00 -0.55 0.00 0.00 175.29 173.72 2bic n ALA 8 N 2.78 0.00 -3.88 1.58 0.00 -1.26 -4.88 120.51 114.84 2bic n ALA 8 Ca 0.23 0.00 -0.33 0.00 0.00 0.00 0.00 53.44 53.34 2bic n ALA 8 Cb 0.40 0.00 -0.15 0.00 0.00 0.00 0.00 19.45 19.70 2bic n ALA 8 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 177.50 176.00 2bic s ILE 9 N 1.98 2.54 0.00 0.00 -1.16 -1.26 -4.73 121.20 118.57 2bic s ILE 9 Ca 0.00 -1.40 0.00 0.00 -0.51 0.00 0.00 60.65 58.74 2bic s ILE 9 Cb 0.00 -2.42 0.00 0.00 0.61 0.00 0.00 42.46 40.65 2bic s ILE 9 CO 0.00 0.03 0.00 0.61 -2.81 0.00 0.00 174.94 172.77 2bic n GLY 10 N 4.55 1.02 3.47 1.50 0.00 -1.26 -4.86 105.19 109.60 2bic n GLY 10 Ca -0.15 -0.37 -0.27 0.00 0.00 0.00 0.00 46.02 45.23 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 0.35 -3.32 -1.73 0.00 -0.02 -1.26 -4.91 135.00 124.11 2bic n PRO 12 Ca -0.13 -0.97 -0.37 0.00 -2.02 0.00 0.00 63.50 60.00 2bic n PRO 12 Cb 0.55 -1.84 0.06 0.00 -0.02 0.00 0.00 33.50 32.25 2bic n PRO 12 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 2bic n THR 13 N -5.15 4.75 -0.14 3.45 -2.24 -1.26 -4.74 114.28 108.96 2bic n THR 13 Ca 0.07 -0.50 -0.04 0.00 -2.27 0.00 0.00 64.05 61.31 2bic n THR 13 Cb 0.54 -1.53 0.04 0.00 -2.10 0.00 0.00 70.33 67.27 2bic n THR 13 CO 0.00 0.00 0.00 -0.07 -0.57 0.00 0.00 175.07 174.43 2bic h LEU 14 N 0.72 0.16 -0.31 3.22 3.38 -1.91 -2.08 115.31 118.49 2bic h LEU 14 Ca -0.51 0.05 0.00 0.00 0.09 0.00 0.00 57.88 57.51 2bic h LEU 14 Cb 1.33 0.04 0.00 0.00 0.09 0.00 0.00 40.66 42.12 2bic h LEU 14 CO 0.54 0.12 0.00 -1.22 0.09 0.00 0.00 178.44 177.97 2bic n TYR 15 N -5.01 0.00 -1.45 1.13 4.01 -1.26 -4.28 117.16 110.30 2bic n TYR 15 Ca 0.04 -0.00 -0.31 0.00 -0.16 0.00 0.00 57.90 57.47 2bic n TYR 15 Cb 0.17 0.00 0.07 0.00 -0.31 0.00 0.00 39.34 39.28 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 -1.99 4.85 0.30 7.72 1.04 -0.78 -4.89 113.70 119.95 2bic s SER 16 Ca 0.44 1.62 0.05 0.00 0.48 0.00 0.00 55.95 58.55 2bic s SER 16 Cb 0.22 -2.41 0.49 0.00 0.10 0.00 0.00 66.02 64.42 2bic s SER 16 CO 0.36 -1.78 1.74 -0.33 0.98 0.00 0.00 173.24 174.20 2bic h GLU 17 N -0.96 0.33 -0.40 4.02 3.07 -1.90 -1.84 114.58 116.90 2bic h GLU 17 Ca -0.45 -0.13 -0.06 0.00 -0.50 0.00 0.00 59.36 58.22 2bic h GLU 17 Cb 1.23 -0.02 -0.01 0.00 -0.84 0.00 0.00 28.75 29.11 2bic h GLU 17 CO 0.55 0.61 0.01 0.00 -1.40 0.00 0.00 179.01 178.78 2bic h ALA 18 N 1.39 0.54 -0.37 3.43 0.00 -1.93 -1.09 119.26 121.23 2bic h ALA 18 Ca 0.04 -0.25 -0.10 0.00 0.00 0.00 0.00 54.91 54.60 2bic h ALA 18 Cb 0.69 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.32 2bic h ALA 18 CO 0.05 0.31 -0.17 -0.97 0.00 0.00 0.00 179.25 178.47 2bic h ASN 19 N 0.53 0.69 -0.62 0.00 -0.73 -1.74 -2.73 115.58 110.99 2bic h ASN 19 Ca 0.11 -0.22 -0.03 0.00 1.87 0.00 0.00 56.30 58.03 2bic h ASN 19 Cb 0.46 -0.19 -0.03 0.00 0.27 0.00 0.00 38.32 38.84 2bic h ASN 19 CO 0.02 0.87 0.28 0.25 -0.37 0.00 0.00 177.43 178.48 2bic h LEU 20 N 0.62 0.83 -0.59 0.34 7.12 -1.20 -1.74 115.31 120.69 2bic h LEU 20 Ca 0.10 -0.15 -0.02 0.00 0.13 0.00 0.00 57.88 57.94 2bic h LEU 20 Cb 0.64 -0.21 -0.03 0.00 -0.53 0.00 0.00 40.66 40.53 2bic h LEU 20 CO 0.05 0.74 0.29 0.00 -0.13 0.00 0.00 178.44 179.38 2bic h ALA 21 N 1.11 0.76 -0.24 1.25 0.00 -1.08 -1.06 119.26 120.00 2bic h ALA 21 Ca 0.21 -0.13 -0.16 0.00 0.00 0.00 0.00 54.91 54.83 2bic h ALA 21 Cb 0.15 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.70 2bic h ALA 21 CO -0.02 0.32 -0.51 -0.24 0.00 0.00 0.00 179.25 178.80 2bic h VAL 22 N 0.80 1.30 -0.39 0.00 3.04 -1.41 -2.97 116.25 116.62 2bic h VAL 22 Ca 0.20 -1.72 -0.05 0.00 -1.01 0.00 0.00 66.70 64.12 2bic h VAL 22 Cb 0.11 1.65 -0.02 0.00 -2.01 0.00 0.00 31.29 31.03 2bic h VAL 22 CO -0.03 0.55 0.02 0.77 -1.01 0.00 0.00 177.57 177.87 2bic h SER 23 N 0.53 0.56 -0.96 3.17 4.64 -1.21 -2.88 113.55 117.40 2bic h SER 23 Ca 0.02 -0.11 0.06 0.00 -0.47 0.00 0.00 61.79 61.30 2bic h SER 23 Cb 1.07 -0.15 -0.06 0.00 -0.31 0.00 0.00 62.40 62.94 2bic h SER 23 CO 0.10 0.62 0.61 0.50 -0.87 0.00 0.00 176.83 177.80 2bic h LYS 24 N 0.58 1.09 0.36 4.77 1.63 -1.03 -1.57 116.57 122.39 2bic h LYS 24 Ca 0.12 -0.07 -0.02 0.00 -0.85 0.00 0.00 60.65 59.84 2bic h LYS 24 Cb 0.33 -0.25 0.00 0.00 -0.60 0.00 0.00 32.23 31.72 2bic h LYS 24 CO 0.01 0.72 -0.17 0.93 -3.45 0.00 0.00 179.45 177.49 2bic h GLU 25 N 1.12 -0.46 -0.97 1.90 4.39 -1.52 -3.29 114.58 115.75 2bic h GLU 25 Ca 0.41 0.03 0.31 0.00 0.34 0.00 0.00 59.36 60.45 2bic h GLU 25 Cb 0.15 0.11 -0.17 0.00 -0.10 0.00 0.00 28.75 28.74 2bic h GLU 25 CO -0.17 -0.31 0.28 0.00 -1.16 0.00 0.00 179.01 177.65 2bic h ARG 27 N 0.09 0.00 -0.13 0.00 3.08 -1.39 -3.15 114.38 112.88 2bic h ARG 27 Ca 0.67 0.00 0.04 0.00 0.07 0.00 0.00 59.98 60.76 2bic h ARG 27 Cb 1.54 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 31.59 2bic h ARG 27 CO -0.78 0.22 0.13 0.38 -1.07 0.00 0.00 179.97 178.85 2bic h ASP 28 N 0.00 0.00 -0.05 7.04 3.04 -0.87 -2.54 116.42 123.04 2bic h ASP 28 Ca -0.00 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 53.79 2bic h ASP 28 Cb 0.43 0.00 -0.01 0.00 -1.04 0.00 0.00 39.33 38.71 2bic h ASP 28 CO 0.03 0.00 0.01 1.56 -2.04 0.00 0.00 179.24 178.80 2bic h GLN 29 N 0.00 0.03 0.00 4.15 4.20 -1.72 -3.47 115.11 118.30 2bic h GLN 29 Ca 0.06 -0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.77 2bic h GLN 29 Cb 0.32 -0.01 0.00 0.00 0.30 0.00 0.00 27.48 28.09 2bic h GLN 29 CO -0.00 0.02 0.00 0.41 -0.67 0.00 0.00 178.83 178.59 2bic n GLY 30 N -1.11 0.73 0.00 3.46 0.00 -0.96 -5.02 105.19 102.29 2bic n GLY 30 Ca -0.06 -0.18 0.00 0.00 0.00 0.00 0.00 46.02 45.78 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 -0.09 1.61 4.81 -1.26 -4.88 118.16 118.35 2bic n LYS 31 Ca 0.00 0.00 -0.15 0.00 -0.87 0.00 0.00 58.31 57.29 2bic n LYS 31 Cb 0.00 0.00 -0.08 0.00 0.02 0.00 0.00 35.03 34.97 2bic n LYS 31 CO 0.00 0.00 0.00 -0.07 1.17 0.00 0.00 177.40 178.50 2bic h LEU 32 N 0.00 0.00 0.00 3.14 -0.00 -1.95 -3.50 115.31 113.00 2bic h LEU 32 Ca 0.00 -0.33 0.00 0.00 -0.00 0.00 0.00 57.88 57.55 2bic h LEU 32 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 40.66 2bic h LEU 32 CO 0.00 1.21 0.00 0.61 -0.00 0.00 0.00 178.44 180.26 2bic n GLY 33 N 1.51 2.22 3.05 0.83 0.00 -1.26 -4.93 105.19 106.60 2bic n GLY 33 Ca -0.23 -0.67 -0.43 0.00 0.00 0.00 0.00 46.02 44.70 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 0.00 4.87 0.00 1.61 5.75 -1.26 -3.98 116.55 123.53 2bic n ASP 34 Ca 0.00 -3.01 0.00 0.00 -0.01 0.00 0.00 54.79 51.77 2bic n ASP 34 Cb 0.00 -1.56 0.00 0.00 -1.03 0.00 0.00 41.12 38.53 2bic n ASP 34 CO 0.00 0.00 0.00 -0.67 -0.11 0.00 0.00 177.20 176.42 2bic n ASP 35 N 5.18 0.00 0.13 -1.12 2.03 -1.26 -4.96 116.55 116.55 2bic n ASP 35 Ca 0.42 0.00 0.01 0.00 0.52 0.00 0.00 54.79 55.75 2bic n ASP 35 Cb 0.39 0.07 0.35 0.00 -0.72 0.00 0.00 41.12 41.21 2bic n ASP 35 CO 0.00 0.00 0.00 -0.26 -1.92 0.00 0.00 177.20 175.02 2bic h PHE 36 N 0.00 0.21 0.19 -0.67 0.04 -1.95 -0.58 116.94 114.17 2bic h PHE 36 Ca 0.00 -0.03 -0.01 0.00 2.80 0.00 0.00 57.97 60.73 2bic h PHE 36 Cb 0.00 -0.06 0.00 0.00 2.20 0.00 0.00 35.95 38.10 2bic h PHE 36 CO 0.00 0.42 -0.09 1.25 -0.60 0.00 0.00 178.31 179.29 2bic h HIS 37 N 0.18 -0.24 -0.39 -0.55 2.76 -1.90 -2.16 115.15 112.85 2bic h HIS 37 Ca 0.03 -0.01 -0.13 0.00 -2.20 0.00 0.00 60.37 58.06 2bic h HIS 37 Cb 0.52 0.08 -0.01 0.00 1.55 0.00 0.00 27.41 29.54 2bic h HIS 37 CO 0.01 0.03 -0.28 -0.09 -1.30 0.00 0.00 177.93 176.30 2bic h ARG 38 N -0.49 0.83 0.03 5.26 2.43 -1.92 -1.14 114.38 119.38 2bic h ARG 38 Ca -0.03 -0.37 0.02 0.00 -0.81 0.00 0.00 59.98 58.79 2bic h ARG 38 Cb 0.37 -0.02 -0.03 0.00 -0.42 0.00 0.00 29.97 29.87 2bic h ARG 38 CO 0.04 1.01 -0.19 0.00 -1.51 0.00 0.00 179.97 179.32 2bic h GLU 41 N 0.10 0.00 0.03 0.00 4.81 -1.18 -0.47 114.58 117.87 2bic h GLU 41 Ca -0.08 0.00 -0.36 0.00 -0.13 0.00 0.00 59.36 58.79 2bic h GLU 41 Cb 1.71 0.00 -0.05 0.00 0.63 0.00 0.00 28.75 31.03 2bic h GLU 41 CO 0.16 0.09 -2.20 -1.91 -0.73 0.00 0.00 179.01 174.42 2bic n GLU 42 N -4.23 0.68 0.00 1.92 4.07 -1.17 -1.41 120.64 120.50 2bic n GLU 42 Ca -0.03 0.16 0.00 0.00 -0.06 0.00 0.00 57.16 57.23 2bic n GLU 42 Cb 0.17 -1.62 0.00 0.00 -0.06 0.00 0.00 31.44 29.93 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 -3.13 0.00 0.00 5.31 -0.06 -1.03 -4.18 117.38 114.29 2bic n GLN 43 Ca -0.34 0.07 0.00 0.00 -2.00 0.00 0.00 57.00 54.73 2bic n GLN 43 Cb 1.06 -0.70 0.00 0.00 -4.06 0.00 0.00 30.24 26.54 2bic n GLN 43 CO 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 177.06 176.86 2bic n GLY 45 N -0.93 -0.08 0.00 0.00 0.00 -1.26 -5.03 105.19 97.89 2bic n GLY 45 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 2bic n GLY 45 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2bic n SER 46 N -0.78 0.00 -4.85 1.61 3.41 -1.26 -5.05 113.62 106.70 2bic n SER 46 Ca 0.00 0.00 -0.37 0.00 -0.26 0.00 0.00 58.87 58.24 2bic n SER 46 Cb 0.00 0.00 -0.07 0.00 -0.26 0.00 0.00 64.21 63.88 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 0.00 5.35 -0.31 6.66 2.01 -0.50 -5.02 115.64 123.84 2bic s THR 47 Ca 0.00 0.15 -0.01 0.00 0.31 0.00 0.00 61.69 62.14 2bic s THR 47 Cb 0.00 -3.33 0.10 0.00 0.01 0.00 0.00 72.50 69.28 2bic s THR 47 CO 0.00 0.61 0.11 -0.89 -0.69 0.00 0.00 174.62 173.76 2bic s THR 48 N -0.94 0.66 -0.47 -0.82 2.01 -1.26 -4.03 115.64 110.79 2bic s THR 48 Ca 0.14 -1.27 -0.28 0.00 0.31 0.00 0.00 61.69 60.60 2bic s THR 48 Cb -0.12 -1.51 0.03 0.00 0.01 0.00 0.00 72.50 70.91 2bic s THR 48 CO 0.03 -0.69 1.05 -2.16 -0.69 0.00 0.00 174.62 172.16 2bic s PRO 49 N 1.71 3.66 -0.26 4.92 0.04 -1.26 -4.97 135.00 138.84 2bic s PRO 49 Ca 0.10 0.42 -0.09 0.00 0.04 0.00 0.00 61.00 61.47 2bic s PRO 49 Cb -0.17 -3.91 0.11 0.00 0.04 0.00 0.00 34.50 30.57 2bic s PRO 49 CO -0.28 -1.31 0.56 0.00 0.04 0.00 0.00 177.00 176.02 2bic s ALA 50 N 4.16 -1.69 -0.26 8.56 0.00 -1.26 -5.13 121.76 126.14 2bic s ALA 50 Ca 0.44 2.02 -0.20 0.00 0.00 0.00 0.00 51.96 54.21 2bic s ALA 50 Cb -0.08 -1.58 -0.02 0.00 0.00 0.00 0.00 23.12 21.43 2bic s ALA 50 CO 0.29 -0.84 0.62 -1.54 0.00 0.00 0.00 175.76 174.30 2bic s SER 51 N 2.73 6.56 0.00 0.00 1.04 -1.26 -5.33 113.70 117.43 2bic s SER 51 Ca -0.05 0.65 0.00 0.00 0.48 0.00 0.00 55.95 57.03 2bic s SER 51 Cb -0.12 -2.33 0.00 0.00 0.10 0.00 0.00 66.02 63.67 2bic s SER 51 CO -0.17 -0.39 0.00 0.00 0.98 0.00 0.00 173.24 173.67