#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 -1.90 -3.32 2.24 0.00 -1.26 -3.15 120.51 113.12 1ba6 n ALA 2 Ca 0.00 -0.20 -0.28 0.00 0.00 0.00 0.00 53.44 52.95 1ba6 n ALA 2 Cb 0.00 -1.91 0.03 0.00 0.00 0.00 0.00 19.45 17.57 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 -4.39 -1.96 -3.50 0.00 0.00 -1.26 -4.95 120.64 104.58 1ba6 n GLU 3 Ca -0.25 1.58 -0.36 0.00 0.00 0.00 0.00 57.16 58.12 1ba6 n GLU 3 Cb 0.66 -2.89 -0.06 0.00 0.00 0.00 0.00 31.44 29.15 1ba6 n GLU 3 CO 0.00 0.00 0.00 -0.59 0.00 0.00 0.00 177.13 176.54 1ba6 s PHE 4 N -1.70 3.65 -1.42 4.31 -0.71 -1.19 -4.96 117.98 115.97 1ba6 s PHE 4 Ca 0.32 0.93 -0.08 0.00 -1.04 0.00 0.00 56.93 57.06 1ba6 s PHE 4 Cb -0.04 -2.26 0.06 0.00 -1.21 0.00 0.00 43.02 39.57 1ba6 s PHE 4 CO 0.79 0.56 2.48 0.54 -1.34 0.00 0.00 175.22 178.25 1ba6 n ARG 5 N 1.27 4.08 -2.88 1.99 3.00 -1.01 -4.78 116.66 118.33 1ba6 n ARG 5 Ca -0.10 -3.03 -0.13 0.00 -0.01 0.00 0.00 57.85 54.58 1ba6 n ARG 5 Cb 0.52 -2.77 -0.03 0.00 0.00 0.00 0.00 32.46 30.18 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 2.86 -0.43 -3.60 -1.55 1.44 -1.26 -4.85 115.22 107.83 1ba6 n HIS 6 Ca 0.64 0.23 -0.12 0.00 -2.01 0.00 0.00 57.72 56.45 1ba6 n HIS 6 Cb 0.27 -0.84 -0.07 0.00 0.12 0.00 0.00 29.99 29.47 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 -2.71 -0.56 0.20 4.39 2.15 -1.26 -5.09 116.67 113.78 1ba6 s ASP 7 Ca 0.14 0.94 -0.32 0.00 0.43 0.00 0.00 52.55 53.74 1ba6 s ASP 7 Cb -0.08 0.90 -0.12 0.00 -0.30 0.00 0.00 42.92 43.32 1ba6 s ASP 7 CO 0.36 -0.29 1.74 -0.55 -0.17 0.00 0.00 175.17 176.26 1ba6 s SER 8 N -0.20 6.38 0.00 -0.34 0.15 -1.26 -1.66 113.70 116.78 1ba6 s SER 8 Ca -0.01 2.86 0.00 0.00 0.70 0.00 0.00 55.95 59.50 1ba6 s SER 8 Cb -0.03 -2.60 0.00 0.00 -1.71 0.00 0.00 66.02 61.68 1ba6 s SER 8 CO 0.00 -0.98 0.00 0.61 1.20 0.00 0.00 173.24 174.07 1ba6 n GLY 9 N 4.02 0.57 2.68 9.45 0.00 -1.26 -4.90 105.19 115.75 1ba6 n GLY 9 Ca 0.16 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.77 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 -2.51 2.64 -0.98 1.61 4.19 -0.66 -3.04 117.16 118.41 1ba6 n TYR 10 Ca 0.00 -2.66 0.00 0.00 3.31 0.00 0.00 57.90 58.55 1ba6 n TYR 10 Cb 0.06 -1.46 0.00 0.00 0.49 0.00 0.00 39.34 38.43 1ba6 n TYR 10 CO 0.00 0.00 0.00 -1.91 0.91 0.00 0.00 176.86 175.86 1ba6 n GLU 11 N 1.05 0.00 -1.44 2.98 0.00 -1.26 -2.41 120.64 119.56 1ba6 n GLU 11 Ca 0.47 0.00 -0.34 0.00 0.00 0.00 0.00 57.16 57.29 1ba6 n GLU 11 Cb 0.28 0.00 0.09 0.00 0.00 0.00 0.00 31.44 31.81 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 0.00 2.54 -1.20 6.31 0.11 -1.17 -3.20 120.40 123.79 1ba6 s VAL 12 Ca 0.00 0.25 -0.14 0.00 -2.93 0.00 0.00 61.98 59.16 1ba6 s VAL 12 Cb 0.00 -2.76 0.14 0.00 -1.53 0.00 0.00 36.38 32.23 1ba6 s VAL 12 CO 0.00 -0.16 0.40 1.57 -3.33 0.00 0.00 175.10 173.58 1ba6 n HIS 13 N -2.80 -1.53 -2.23 1.54 -0.00 -1.26 -4.83 115.22 104.11 1ba6 n HIS 13 Ca 0.12 0.44 -0.42 0.00 -0.00 0.00 0.00 57.72 57.87 1ba6 n HIS 13 Cb 0.51 -1.78 -0.03 0.00 -0.00 0.00 0.00 29.99 28.69 1ba6 n HIS 13 CO 0.00 0.00 0.00 -3.38 -0.00 0.00 0.00 176.34 172.96 1ba6 s HIS 14 N -2.81 2.11 0.59 1.57 -0.00 -1.19 -4.83 115.29 110.73 1ba6 s HIS 14 Ca 0.51 0.62 0.25 0.00 -0.00 0.00 0.00 55.06 56.44 1ba6 s HIS 14 Cb -0.29 -4.26 1.35 0.00 -0.00 0.00 0.00 32.58 29.38 1ba6 s HIS 14 CO 0.63 -2.28 1.75 0.37 -0.00 0.00 0.00 174.74 175.20 1ba6 h GLN 15 N 11.93 0.00 -0.45 -0.38 4.15 -1.92 -1.71 115.11 126.73 1ba6 h GLN 15 Ca -0.29 0.00 0.13 0.00 0.77 0.00 0.00 58.65 59.26 1ba6 h GLN 15 Cb 1.13 0.00 -0.02 0.00 0.21 0.00 0.00 27.48 28.80 1ba6 h GLN 15 CO 1.11 0.00 0.70 0.87 -1.93 0.00 0.00 178.83 179.58 1ba6 h LYS 16 N 0.00 0.00 -1.48 1.69 1.57 -1.98 -2.27 116.57 114.10 1ba6 h LYS 16 Ca 0.00 0.00 0.46 0.00 -1.87 0.00 0.00 60.65 59.24 1ba6 h LYS 16 Cb 0.81 0.00 -0.10 0.00 0.08 0.00 0.00 32.23 33.01 1ba6 h LYS 16 CO 0.00 0.00 1.01 -0.07 -0.57 0.00 0.00 179.45 179.82 1ba6 h LEU 17 N 0.00 0.15 0.83 2.94 3.38 -1.71 0.44 115.31 121.33 1ba6 h LEU 17 Ca 0.21 0.08 -0.04 0.00 0.09 0.00 0.00 57.88 58.22 1ba6 h LEU 17 Cb 1.61 0.07 0.01 0.00 0.09 0.00 0.00 40.66 42.43 1ba6 h LEU 17 CO -0.00 -0.10 -0.40 -0.37 0.09 0.00 0.00 178.44 177.66 1ba6 h VAL 18 N 0.06 0.02 -0.84 1.22 -1.51 -1.70 -3.06 116.25 110.44 1ba6 h VAL 18 Ca 0.81 -0.18 0.08 0.00 -1.23 0.00 0.00 66.70 66.19 1ba6 h VAL 18 Cb 2.84 0.02 -0.06 0.00 -2.13 0.00 0.00 31.29 31.97 1ba6 h VAL 18 CO -0.25 0.00 0.54 -0.26 -1.23 0.00 0.00 177.57 176.38 1ba6 h PHE 19 N -1.29 0.89 -1.09 5.19 0.04 -1.22 -0.77 116.94 118.69 1ba6 h PHE 19 Ca -0.11 0.02 0.32 0.00 2.80 0.00 0.00 57.97 61.00 1ba6 h PHE 19 Cb 0.85 -0.29 -0.04 0.00 2.20 0.00 0.00 35.95 38.67 1ba6 h PHE 19 CO -0.00 0.44 1.11 0.35 -0.60 0.00 0.00 178.31 179.61 1ba6 h PHE 20 N 0.85 0.00 0.00 -0.55 3.04 -1.06 0.29 116.94 119.51 1ba6 h PHE 20 Ca 0.38 0.00 0.00 0.00 3.98 0.00 0.00 57.97 62.33 1ba6 h PHE 20 Cb 0.34 0.00 0.00 0.00 2.56 0.00 0.00 35.95 38.85 1ba6 h PHE 20 CO -0.00 0.00 -0.79 0.00 -2.02 0.00 0.00 178.31 175.50 1ba6 n ALA 21 N -2.40 2.27 0.03 2.41 0.00 -0.90 -4.61 120.51 117.31 1ba6 n ALA 21 Ca 0.24 0.00 -0.13 0.00 0.00 0.00 0.00 53.44 53.55 1ba6 n ALA 21 Cb 1.45 0.39 -0.09 0.00 0.00 0.00 0.00 19.45 21.20 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 -0.07 -0.35 0.00 5.08 -0.84 -3.14 114.58 115.26 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 0.79 0.02 -0.02 0.00 0.50 0.00 0.00 28.75 30.03 1ba6 h GLU 22 CO 0.00 0.28 0.15 0.22 -1.00 0.00 0.00 179.01 178.67 1ba6 h ASP 23 N -0.44 0.43 -0.86 1.42 1.82 -0.61 -0.52 116.42 117.66 1ba6 h ASP 23 Ca -0.01 -0.03 0.10 0.00 -0.39 0.00 0.00 57.03 56.70 1ba6 h ASP 23 Cb 0.39 -0.11 -0.08 0.00 0.68 0.00 0.00 39.33 40.21 1ba6 h ASP 23 CO 0.01 0.38 0.49 -0.37 -1.61 0.00 0.00 179.24 178.15 1ba6 h VAL 24 N 0.48 0.89 -0.03 2.25 -1.51 -1.50 0.40 116.25 117.24 1ba6 h VAL 24 Ca 0.12 -0.28 -0.01 0.00 -1.23 0.00 0.00 66.70 65.30 1ba6 h VAL 24 Cb 0.08 0.01 -0.00 0.00 -2.13 0.00 0.00 31.29 29.25 1ba6 h VAL 24 CO -0.02 0.15 -0.03 1.23 -1.23 0.00 0.00 177.57 177.68 1ba6 h GLY 25 N 0.81 0.08 -1.47 5.19 0.00 -1.34 -3.09 103.07 103.24 1ba6 h GLY 25 Ca 0.42 -0.08 0.00 0.00 0.00 0.00 0.00 47.33 47.67 1ba6 h GLY 25 CO -0.26 0.07 0.00 -1.26 0.00 0.00 0.00 176.54 175.09 1ba6 n SER 26 N -4.80 1.95 -4.69 0.19 2.88 -0.29 -4.92 113.62 103.94 1ba6 n SER 26 Ca -0.08 -2.00 -0.29 0.00 -1.33 0.00 0.00 58.87 55.17 1ba6 n SER 26 Cb 0.27 -0.50 0.16 0.00 -0.75 0.00 0.00 64.21 63.39 1ba6 n SER 26 CO 0.00 0.00 0.00 0.20 -1.23 0.00 0.00 175.04 174.01 1ba6 s ASN 27 N 0.47 2.90 -0.00 -3.46 0.01 0.13 -4.93 114.94 110.06 1ba6 s ASN 27 Ca 0.00 1.26 0.00 0.00 -0.71 0.00 0.00 52.86 53.41 1ba6 s ASN 27 Cb 0.00 -1.93 0.00 0.00 0.41 0.00 0.00 41.25 39.74 1ba6 s ASN 27 CO 0.00 -2.97 0.20 2.29 -1.51 0.00 0.00 177.10 175.11 1ba6 n LYS 28 N -4.07 0.01 0.00 -0.60 2.85 -1.26 -4.97 118.16 110.11 1ba6 n LYS 28 Ca 0.06 -0.01 0.00 0.00 -1.05 0.00 0.00 58.31 57.31 1ba6 n LYS 28 Cb 0.57 0.32 0.00 0.00 -0.65 0.00 0.00 35.03 35.26 1ba6 n LYS 28 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 1ba6 n GLY 29 N -0.01 0.00 2.04 2.58 0.00 -1.26 -5.02 105.19 103.52 1ba6 n GLY 29 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 0.00 2.38 0.31 4.61 0.00 -1.26 -4.60 120.51 121.96 1ba6 n ALA 30 Ca 0.00 0.00 -0.17 0.00 0.00 0.00 0.00 53.44 53.27 1ba6 n ALA 30 Cb 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 19.45 19.36 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 0.41 -0.01 0.00 2.04 -1.94 -1.25 117.51 116.76 1ba6 h ILE 31 Ca 0.00 -0.12 -0.05 0.00 1.00 0.00 0.00 64.86 65.69 1ba6 h ILE 31 Cb 0.00 0.46 -0.01 0.00 -0.74 0.00 0.00 36.82 36.53 1ba6 h ILE 31 CO 0.00 0.02 -0.25 -0.29 0.00 0.00 0.00 178.15 177.63 1ba6 h ILE 32 N -0.85 1.18 -0.15 -0.67 2.10 -1.95 -1.71 117.51 115.46 1ba6 h ILE 32 Ca -0.08 -0.87 0.00 0.00 1.08 0.00 0.00 64.86 64.99 1ba6 h ILE 32 Cb 0.62 1.46 0.00 0.00 -1.09 0.00 0.00 36.82 37.81 1ba6 h ILE 32 CO 0.13 0.25 0.00 0.61 -1.08 0.00 0.00 178.15 178.06 1ba6 n GLY 33 N -0.81 1.49 3.43 8.18 0.00 -0.89 -5.07 105.19 111.53 1ba6 n GLY 33 Ca -0.02 -0.22 -0.11 0.00 0.00 0.00 0.00 46.02 45.67 1ba6 n GLY 33 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1ba6 s LEU 34 N -0.74 -0.09 0.02 0.99 2.96 -0.53 -4.85 118.68 116.45 1ba6 s LEU 34 Ca 0.13 -0.25 -0.02 0.00 -0.22 0.00 0.00 54.13 53.78 1ba6 s LEU 34 Cb 0.10 2.25 -0.01 0.00 0.50 0.00 0.00 46.19 49.03 1ba6 s LEU 34 CO 0.05 -0.97 -0.04 0.52 -1.32 0.00 0.00 176.35 174.59 1ba6 n VAL 36 N -0.32 0.68 -2.68 1.68 0.31 -1.26 -4.84 118.33 111.89 1ba6 n VAL 36 Ca -0.14 0.16 -0.10 0.00 -0.01 0.00 0.00 64.34 64.24 1ba6 n VAL 36 Cb 0.64 -1.60 0.02 0.00 -0.91 0.00 0.00 33.84 31.98 1ba6 n VAL 36 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1ba6 n GLY 37 N 3.03 0.18 2.68 2.92 0.00 -1.26 -4.91 105.19 107.82 1ba6 n GLY 37 Ca -0.04 -0.35 -0.05 0.00 0.00 0.00 0.00 46.02 45.58 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 -1.11 -0.36 2.36 -0.02 0.00 -1.26 -5.00 105.19 99.80 1ba6 n GLY 38 Ca -0.04 0.23 -0.21 0.00 0.00 0.00 0.00 46.02 46.00 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 -0.10 2.16 -0.44 1.61 0.31 -1.26 -5.40 118.33 115.22 1ba6 n VAL 39 Ca -0.11 -4.25 0.00 0.00 -0.01 0.00 0.00 64.34 59.96 1ba6 n VAL 39 Cb 0.73 -0.74 0.00 0.00 -0.91 0.00 0.00 33.84 32.92 1ba6 n VAL 39 CO 0.00 0.00 0.00 0.52 -1.32 0.00 0.00 176.83 176.03