#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ba6 n ALA 2 N 0.00 -2.53 -2.05 2.12 0.00 -1.26 -2.06 120.51 114.73 1ba6 n ALA 2 Ca 0.00 -0.11 -0.14 0.00 0.00 0.00 0.00 53.44 53.20 1ba6 n ALA 2 Cb 0.00 -4.72 -0.03 0.00 0.00 0.00 0.00 19.45 14.71 1ba6 n ALA 2 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 1ba6 n GLU 3 N -3.84 -1.83 -1.45 0.00 0.00 -1.26 -4.85 120.64 107.40 1ba6 n GLU 3 Ca -0.08 0.71 -0.51 0.00 0.00 0.00 0.00 57.16 57.28 1ba6 n GLU 3 Cb 0.60 -5.19 -0.04 0.00 0.00 0.00 0.00 31.44 26.81 1ba6 n GLU 3 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 177.13 179.10 1ba6 n PHE 4 N -2.90 0.08 -2.46 4.31 -1.74 -0.87 -4.79 117.46 109.09 1ba6 n PHE 4 Ca -0.15 0.95 -0.43 0.00 -0.56 0.00 0.00 57.45 57.26 1ba6 n PHE 4 Cb 0.56 -2.04 0.00 0.00 1.52 0.00 0.00 39.48 39.52 1ba6 n PHE 4 CO 0.00 0.00 0.00 0.54 -0.56 0.00 0.00 176.76 176.74 1ba6 n ARG 5 N 1.19 3.24 -4.02 3.97 3.00 -1.26 -4.47 116.66 118.31 1ba6 n ARG 5 Ca 0.18 -3.32 -0.32 0.00 -0.01 0.00 0.00 57.85 54.38 1ba6 n ARG 5 Cb 0.21 -3.25 -0.06 0.00 0.00 0.00 0.00 32.46 29.36 1ba6 n ARG 5 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 177.63 175.24 1ba6 n HIS 6 N 6.49 -1.35 -3.44 -1.55 1.44 -1.26 -4.86 115.22 110.68 1ba6 n HIS 6 Ca 0.45 0.51 0.01 0.00 -2.01 0.00 0.00 57.72 56.69 1ba6 n HIS 6 Cb 0.42 -1.63 -0.03 0.00 0.12 0.00 0.00 29.99 28.86 1ba6 n HIS 6 CO 0.00 0.00 0.00 0.34 -2.81 0.00 0.00 176.34 173.87 1ba6 s ASP 7 N -2.92 -0.85 -0.30 4.39 2.15 -1.26 -5.15 116.67 112.73 1ba6 s ASP 7 Ca 0.63 1.03 -0.17 0.00 0.43 0.00 0.00 52.55 54.47 1ba6 s ASP 7 Cb -0.37 1.92 0.18 0.00 -0.30 0.00 0.00 42.92 44.35 1ba6 s ASP 7 CO 0.77 -0.16 1.12 -0.94 -0.17 0.00 0.00 175.17 175.78 1ba6 s SER 8 N 2.69 -0.36 0.01 -0.34 1.04 -1.26 -4.83 113.70 110.65 1ba6 s SER 8 Ca -0.01 0.46 0.00 0.00 0.48 0.00 0.00 55.95 56.88 1ba6 s SER 8 Cb -0.09 1.39 0.00 0.00 0.10 0.00 0.00 66.02 67.42 1ba6 s SER 8 CO -0.18 -0.07 0.00 0.61 0.98 0.00 0.00 173.24 174.58 1ba6 n GLY 9 N 4.87 -3.40 2.48 7.32 0.00 -1.26 -4.68 105.19 110.53 1ba6 n GLY 9 Ca -0.08 -0.50 -0.27 0.00 0.00 0.00 0.00 46.02 45.17 1ba6 n GLY 9 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 1ba6 n TYR 10 N 0.31 3.60 0.00 1.61 9.36 -1.26 -4.52 117.16 126.26 1ba6 n TYR 10 Ca 0.00 -4.14 0.00 0.00 3.32 0.00 0.00 57.90 57.08 1ba6 n TYR 10 Cb 0.00 -0.58 0.00 0.00 -0.63 0.00 0.00 39.34 38.13 1ba6 n TYR 10 CO 0.00 0.00 0.00 -1.91 0.22 0.00 0.00 176.86 175.17 1ba6 n GLU 11 N 0.96 0.00 -0.74 2.98 0.00 -1.26 -5.15 120.64 117.44 1ba6 n GLU 11 Ca 0.29 0.00 -0.31 0.00 0.00 0.00 0.00 57.16 57.14 1ba6 n GLU 11 Cb 0.40 0.00 0.17 0.00 0.00 0.00 0.00 31.44 32.02 1ba6 n GLU 11 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.13 177.67 1ba6 s VAL 12 N -0.51 2.20 -0.66 6.31 0.11 -1.26 -4.92 120.40 121.66 1ba6 s VAL 12 Ca 0.00 0.06 -0.02 0.00 -2.93 0.00 0.00 61.98 59.09 1ba6 s VAL 12 Cb 0.00 -2.15 0.44 0.00 -1.53 0.00 0.00 36.38 33.14 1ba6 s VAL 12 CO 0.00 -0.08 2.04 1.57 -3.33 0.00 0.00 175.10 175.30 1ba6 n HIS 13 N -4.27 3.18 -1.70 1.54 -0.00 -1.26 -4.93 115.22 107.78 1ba6 n HIS 13 Ca 0.10 -2.99 -0.18 0.00 0.46 0.00 0.00 57.72 55.11 1ba6 n HIS 13 Cb 0.53 -1.44 -0.10 0.00 -0.12 0.00 0.00 29.99 28.86 1ba6 n HIS 13 CO 0.00 0.00 0.00 -3.38 0.46 0.00 0.00 176.34 173.42 1ba6 s HIS 14 N -3.78 1.37 0.62 1.57 -3.43 -1.26 -4.77 115.29 105.61 1ba6 s HIS 14 Ca 0.64 1.92 0.26 0.00 -0.80 0.00 0.00 55.06 57.08 1ba6 s HIS 14 Cb 0.50 -3.47 1.31 0.00 -1.43 0.00 0.00 32.58 29.49 1ba6 s HIS 14 CO -0.02 -0.82 1.74 -0.56 -2.00 0.00 0.00 174.74 173.08 1ba6 h GLN 15 N 11.28 0.00 -0.57 -0.38 3.07 -2.04 -2.09 115.11 124.38 1ba6 h GLN 15 Ca 0.05 0.00 0.17 0.00 0.09 0.00 0.00 58.65 58.96 1ba6 h GLN 15 Cb 0.99 0.00 -0.02 0.00 0.08 0.00 0.00 27.48 28.52 1ba6 h GLN 15 CO 1.06 0.00 0.66 0.87 0.09 0.00 0.00 178.83 181.51 1ba6 h LYS 16 N 0.00 0.00 -1.30 0.06 6.56 -2.02 -2.08 116.57 117.79 1ba6 h LYS 16 Ca 0.18 0.00 0.38 0.00 -1.06 0.00 0.00 60.65 60.14 1ba6 h LYS 16 Cb 1.36 0.00 -0.06 0.00 -0.57 0.00 0.00 32.23 32.96 1ba6 h LYS 16 CO -0.00 0.00 0.93 -0.07 -2.06 0.00 0.00 179.45 178.24 1ba6 h LEU 17 N 0.00 0.03 0.66 2.94 -0.00 -1.78 -0.91 115.31 116.25 1ba6 h LEU 17 Ca 0.27 0.01 -0.03 0.00 -0.00 0.00 0.00 57.88 58.13 1ba6 h LEU 17 Cb 1.59 0.00 0.01 0.00 -0.00 0.00 0.00 40.66 42.26 1ba6 h LEU 17 CO -0.00 -0.00 -0.32 -0.37 -0.00 0.00 0.00 178.44 177.75 1ba6 h VAL 18 N 0.03 0.23 -0.98 1.22 -1.51 -1.66 -3.14 116.25 110.43 1ba6 h VAL 18 Ca 0.63 -0.24 0.04 0.00 -1.23 0.00 0.00 66.70 65.90 1ba6 h VAL 18 Cb 2.45 0.29 -0.06 0.00 -2.13 0.00 0.00 31.29 31.84 1ba6 h VAL 18 CO -0.04 0.02 0.64 -0.26 -1.23 0.00 0.00 177.57 176.71 1ba6 h PHE 19 N -1.08 1.20 -0.57 5.19 0.04 -1.43 -0.43 116.94 119.86 1ba6 h PHE 19 Ca -0.09 0.03 0.16 0.00 2.80 0.00 0.00 57.97 60.87 1ba6 h PHE 19 Cb 0.72 -0.40 -0.02 0.00 2.20 0.00 0.00 35.95 38.45 1ba6 h PHE 19 CO -0.00 0.67 0.86 0.74 -0.60 0.00 0.00 178.31 179.98 1ba6 h PHE 20 N 1.22 0.00 0.00 -0.55 0.04 -1.27 0.31 116.94 116.69 1ba6 h PHE 20 Ca 0.40 0.00 0.00 0.00 2.80 0.00 0.00 57.97 61.17 1ba6 h PHE 20 Cb 0.05 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.20 1ba6 h PHE 20 CO -0.00 0.00 -0.90 0.00 -0.60 0.00 0.00 178.31 176.81 1ba6 n ALA 21 N -2.10 2.05 0.00 2.45 0.00 -0.93 -4.49 120.51 117.48 1ba6 n ALA 21 Ca 0.12 0.00 -0.13 0.00 0.00 0.00 0.00 53.44 53.43 1ba6 n ALA 21 Cb 1.05 0.45 -0.10 0.00 0.00 0.00 0.00 19.45 20.86 1ba6 n ALA 21 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 1ba6 h GLU 22 N 0.00 -0.06 -0.46 0.00 5.08 -0.79 -2.87 114.58 115.48 1ba6 h GLU 22 Ca 0.00 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.35 1ba6 h GLU 22 Cb 0.90 0.01 -0.02 0.00 0.50 0.00 0.00 28.75 30.14 1ba6 h GLU 22 CO 0.00 0.47 0.23 0.22 -1.00 0.00 0.00 179.01 178.93 1ba6 h ASP 23 N -0.64 0.59 -0.65 1.42 1.82 -0.56 0.69 116.42 119.10 1ba6 h ASP 23 Ca -0.01 -0.12 0.07 0.00 -0.39 0.00 0.00 57.03 56.59 1ba6 h ASP 23 Cb 0.56 -0.15 -0.04 0.00 0.68 0.00 0.00 39.33 40.38 1ba6 h ASP 23 CO 0.01 0.54 0.43 -0.37 -1.61 0.00 0.00 179.24 178.24 1ba6 h VAL 24 N 0.60 0.97 -0.21 2.25 -1.51 -1.62 -0.53 116.25 116.21 1ba6 h VAL 24 Ca 0.16 -0.20 -0.07 0.00 -1.23 0.00 0.00 66.70 65.36 1ba6 h VAL 24 Cb 0.10 0.33 -0.00 0.00 -2.13 0.00 0.00 31.29 29.58 1ba6 h VAL 24 CO -0.02 0.11 -0.14 1.23 -1.23 0.00 0.00 177.57 177.52 1ba6 h GLY 25 N 0.60 0.50 0.80 5.19 0.00 -1.12 -3.33 103.07 105.71 1ba6 h GLY 25 Ca 0.29 -0.48 -0.05 0.00 0.00 0.00 0.00 47.33 47.09 1ba6 h GLY 25 CO -0.09 0.43 -0.07 1.48 0.00 0.00 0.00 176.54 178.29 1ba6 h SER 26 N 0.16 0.41 -4.28 0.19 4.64 0.42 -3.46 113.55 111.63 1ba6 h SER 26 Ca 0.04 -0.39 -0.51 0.00 -0.47 0.00 0.00 61.79 60.47 1ba6 h SER 26 Cb 0.65 -0.11 0.12 0.00 -0.31 0.00 0.00 62.40 62.75 1ba6 h SER 26 CO 0.04 0.71 0.32 0.54 -0.87 0.00 0.00 176.83 177.57 1ba6 s ASN 27 N -6.04 4.59 -0.26 4.97 2.20 -0.34 -4.99 114.94 115.08 1ba6 s ASN 27 Ca -0.14 1.66 0.10 0.00 -0.94 0.00 0.00 52.86 53.54 1ba6 s ASN 27 Cb 0.06 -2.41 0.31 0.00 -2.00 0.00 0.00 41.25 37.21 1ba6 s ASN 27 CO 0.75 -1.96 1.29 2.29 -2.94 0.00 0.00 177.10 176.53 1ba6 n LYS 28 N -3.46 1.03 -2.71 3.55 0.00 -1.26 -4.94 118.16 110.37 1ba6 n LYS 28 Ca 0.08 -0.92 -0.07 0.00 -0.00 0.00 0.00 58.31 57.39 1ba6 n LYS 28 Cb 0.54 0.31 0.10 0.00 -0.00 0.00 0.00 35.03 35.98 1ba6 n LYS 28 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1ba6 n GLY 29 N -1.16 0.71 2.03 2.58 0.00 -1.26 -4.97 105.19 103.11 1ba6 n GLY 29 Ca -0.13 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.89 1ba6 n GLY 29 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ba6 n ALA 30 N -0.16 1.38 0.03 4.61 0.00 -1.26 -4.90 120.51 120.21 1ba6 n ALA 30 Ca -0.02 0.00 0.22 0.00 0.00 0.00 0.00 53.44 53.64 1ba6 n ALA 30 Cb 0.77 0.00 0.69 0.00 0.00 0.00 0.00 19.45 20.91 1ba6 n ALA 30 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.50 178.32 1ba6 h ILE 31 N 0.00 0.29 -0.35 0.00 1.08 -1.97 -0.63 117.51 115.93 1ba6 h ILE 31 Ca 0.00 0.00 0.10 0.00 -0.39 0.00 0.00 64.86 64.57 1ba6 h ILE 31 Cb 0.00 0.52 -0.01 0.00 -3.07 0.00 0.00 36.82 34.26 1ba6 h ILE 31 CO 0.00 0.00 0.42 -0.29 -0.69 0.00 0.00 178.15 177.59 1ba6 h ILE 32 N 0.00 0.34 0.00 -0.67 2.10 -1.93 -3.29 117.51 114.06 1ba6 h ILE 32 Ca 0.25 0.00 0.00 0.00 1.08 0.00 0.00 64.86 66.19 1ba6 h ILE 32 Cb 1.43 0.66 0.00 0.00 -1.09 0.00 0.00 36.82 37.82 1ba6 h ILE 32 CO -0.00 0.00 -0.03 0.61 -1.08 0.00 0.00 178.15 177.65 1ba6 n GLY 33 N -1.46 0.00 3.14 8.18 0.00 -0.66 -5.19 105.19 109.21 1ba6 n GLY 33 Ca 0.06 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.86 1ba6 n GLY 33 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1ba6 n LEU 34 N -0.53 -1.91 0.13 0.99 -0.00 -0.33 -5.01 117.00 110.33 1ba6 n LEU 34 Ca 0.00 -0.29 0.02 0.00 -0.00 0.00 0.00 56.01 55.74 1ba6 n LEU 34 Cb 0.01 -2.44 0.01 0.00 -0.00 0.00 0.00 43.42 41.01 1ba6 n LEU 34 CO 0.00 0.15 0.38 0.58 -0.00 0.00 0.00 177.39 178.50 1ba6 h VAL 36 N -1.01 0.84 0.00 1.96 2.07 -1.99 -3.51 116.25 114.61 1ba6 h VAL 36 Ca -0.45 -2.22 0.00 0.00 0.82 0.00 0.00 66.70 64.85 1ba6 h VAL 36 Cb 1.31 2.39 0.00 0.00 -1.52 0.00 0.00 31.29 33.47 1ba6 h VAL 36 CO 0.53 0.48 0.00 0.61 0.02 0.00 0.00 177.57 179.21 1ba6 n GLY 37 N 1.25 2.85 0.00 2.17 0.00 -1.26 -4.86 105.19 105.34 1ba6 n GLY 37 Ca 0.01 -0.37 0.00 0.00 0.00 0.00 0.00 46.02 45.66 1ba6 n GLY 37 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ba6 n GLY 38 N 0.00 0.00 1.94 -0.02 0.00 -1.26 -4.99 105.19 100.86 1ba6 n GLY 38 Ca 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.91 1ba6 n GLY 38 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1ba6 n VAL 39 N 0.00 2.73 -0.46 1.61 0.31 -1.26 -5.38 118.33 115.88 1ba6 n VAL 39 Ca 0.00 -1.50 0.00 0.00 -0.01 0.00 0.00 64.34 62.83 1ba6 n VAL 39 Cb 0.00 -0.46 0.00 0.00 -0.91 0.00 0.00 33.84 32.47 1ba6 n VAL 39 CO 0.00 0.00 0.00 0.55 -1.32 0.00 0.00 176.83 176.06