#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ba4 s ALA 2 N 0.00 -1.63 -0.20 2.24 0.00 -1.26 -5.03 121.76 115.88 1ba4 s ALA 2 Ca 0.00 2.00 0.29 0.00 0.00 0.00 0.00 51.96 54.25 1ba4 s ALA 2 Cb 0.00 -1.18 1.06 0.00 0.00 0.00 0.00 23.12 23.00 1ba4 s ALA 2 CO 0.00 -0.33 1.84 0.93 0.00 0.00 0.00 175.76 178.20 1ba4 h GLU 3 N 6.02 0.00 -1.28 0.00 3.07 -2.07 -3.46 114.58 116.86 1ba4 h GLU 3 Ca -0.30 0.00 -0.38 0.00 -0.50 0.00 0.00 59.36 58.18 1ba4 h GLU 3 Cb 1.19 0.00 -0.14 0.00 -0.84 0.00 0.00 28.75 28.96 1ba4 h GLU 3 CO 0.14 0.00 -0.36 0.34 -1.40 0.00 0.00 179.01 177.73 1ba4 n PHE 4 N -2.82 -0.19 -2.70 4.33 7.35 -1.26 -4.74 117.46 117.44 1ba4 n PHE 4 Ca 0.02 0.00 -0.00 0.00 -0.76 0.00 0.00 57.45 56.71 1ba4 n PHE 4 Cb 0.34 -3.27 0.06 0.00 0.35 0.00 0.00 39.48 36.96 1ba4 n PHE 4 CO 0.00 0.00 0.00 0.54 -0.76 0.00 0.00 176.76 176.54 1ba4 n ARG 5 N -2.30 1.28 -0.41 -4.13 1.74 -1.26 -4.80 116.66 106.78 1ba4 n ARG 5 Ca -0.19 -2.58 0.00 0.00 -0.77 0.00 0.00 57.85 54.31 1ba4 n ARG 5 Cb 0.62 -0.76 0.00 0.00 -1.02 0.00 0.00 32.46 31.31 1ba4 n ARG 5 CO 0.00 0.00 0.00 -2.39 -1.52 0.00 0.00 177.63 173.72 1ba4 n HIS 6 N -0.63 0.00 -3.54 -1.55 1.44 -1.26 -5.05 115.22 104.63 1ba4 n HIS 6 Ca -0.01 0.00 -0.37 0.00 -2.01 0.00 0.00 57.72 55.33 1ba4 n HIS 6 Cb 0.86 0.16 -0.08 0.00 0.12 0.00 0.00 29.99 31.05 1ba4 n HIS 6 CO 0.00 0.00 0.00 0.16 -2.81 0.00 0.00 176.34 173.69 1ba4 s ASP 7 N -0.23 6.28 -1.37 4.39 -4.77 -1.26 -4.30 116.67 115.41 1ba4 s ASP 7 Ca 0.00 0.31 -0.08 0.00 -3.30 0.00 0.00 52.55 49.48 1ba4 s ASP 7 Cb 0.00 -2.16 0.03 0.00 -1.09 0.00 0.00 42.92 39.69 1ba4 s ASP 7 CO 0.00 0.01 1.08 -0.24 0.70 0.00 0.00 175.17 176.72 1ba4 n SER 8 N 4.29 -4.95 0.01 2.11 2.88 -1.26 -4.94 113.62 111.76 1ba4 n SER 8 Ca -0.12 -0.63 -0.01 0.00 -1.33 0.00 0.00 58.87 56.79 1ba4 n SER 8 Cb 0.52 -4.71 -0.00 0.00 -0.75 0.00 0.00 64.21 59.26 1ba4 n SER 8 CO 0.00 0.00 0.00 1.23 -1.23 0.00 0.00 175.04 175.04 1ba4 h GLY 9 N -2.38 -0.04 -3.99 0.46 0.00 -1.97 -3.49 103.07 91.66 1ba4 h GLY 9 Ca -0.58 0.01 0.10 0.00 0.00 0.00 0.00 47.33 46.87 1ba4 h GLY 9 CO 0.58 -0.01 0.54 -0.47 0.00 0.00 0.00 176.54 177.18 1ba4 s TYR 10 N -2.06 -0.35 -0.21 5.60 5.04 -1.26 -5.18 117.35 118.94 1ba4 s TYR 10 Ca -0.01 0.45 -0.27 0.00 -2.44 0.00 0.00 57.07 54.80 1ba4 s TYR 10 Cb 0.00 0.49 0.10 0.00 0.35 0.00 0.00 41.96 42.90 1ba4 s TYR 10 CO 0.02 -0.41 0.90 -2.00 -1.34 0.00 0.00 175.55 172.72 1ba4 s GLU 11 N -1.93 0.69 0.00 4.97 -6.30 -1.26 -5.18 118.70 109.69 1ba4 s GLU 11 Ca 0.01 0.51 0.00 0.00 -2.50 0.00 0.00 54.97 52.99 1ba4 s GLU 11 Cb -0.01 0.33 0.00 0.00 0.00 0.00 0.00 34.13 34.45 1ba4 s GLU 11 CO -0.03 -0.14 0.00 1.33 0.02 0.00 0.00 175.26 176.44 1ba4 n VAL 12 N 1.72 0.00 0.00 3.70 0.24 -1.26 -5.09 118.33 117.64 1ba4 n VAL 12 Ca -0.13 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.17 1ba4 n VAL 12 Cb 0.56 -0.45 0.00 0.00 -1.47 0.00 0.00 33.84 32.48 1ba4 n VAL 12 CO 0.00 0.00 0.00 1.41 -2.14 0.00 0.00 176.83 176.10 1ba4 n HIS 13 N -0.02 0.00 -1.85 6.34 8.25 -1.26 -5.00 115.22 121.68 1ba4 n HIS 13 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.46 1ba4 n HIS 13 Cb 0.00 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.11 1ba4 n HIS 13 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70 1ba4 n HIS 14 N -0.71 0.00 -0.27 4.41 -0.00 -1.26 -4.94 115.22 112.45 1ba4 n HIS 14 Ca 0.00 0.00 0.08 0.00 -0.00 0.00 0.00 57.72 57.80 1ba4 n HIS 14 Cb 0.00 0.08 0.21 0.00 -0.00 0.00 0.00 29.99 30.28 1ba4 n HIS 14 CO 0.00 0.00 0.00 0.37 -0.00 0.00 0.00 176.34 176.71 1ba4 h GLN 15 N 0.00 0.20 0.21 -0.41 4.15 -1.99 -0.21 115.11 117.06 1ba4 h GLN 15 Ca 0.00 -0.01 0.00 0.00 0.77 0.00 0.00 58.65 59.41 1ba4 h GLN 15 Cb 1.17 -0.04 -0.04 0.00 0.21 0.00 0.00 27.48 28.77 1ba4 h GLN 15 CO 0.00 0.13 -0.49 1.57 -1.93 0.00 0.00 178.83 178.11 1ba4 h LYS 16 N 0.20 -0.74 -0.46 1.69 5.09 -2.01 -1.48 116.57 118.86 1ba4 h LYS 16 Ca 0.46 0.05 -0.06 0.00 0.09 0.00 0.00 60.65 61.20 1ba4 h LYS 16 Cb 0.85 0.17 -0.02 0.00 0.10 0.00 0.00 32.23 33.33 1ba4 h LYS 16 CO -0.61 -0.50 0.06 1.37 -2.09 0.00 0.00 179.45 177.69 1ba4 h LEU 17 N -0.77 0.68 0.09 7.07 8.10 -1.82 -2.72 115.31 125.93 1ba4 h LEU 17 Ca -0.02 -0.13 0.02 0.00 0.11 0.00 0.00 57.88 57.86 1ba4 h LEU 17 Cb 0.74 -0.18 -0.04 0.00 -0.44 0.00 0.00 40.66 40.74 1ba4 h LEU 17 CO -0.21 0.71 -0.35 0.58 -4.11 0.00 0.00 178.44 175.06 1ba4 h VAL 18 N 0.69 0.26 -0.47 0.15 2.07 -0.59 0.18 116.25 118.54 1ba4 h VAL 18 Ca 0.15 0.00 0.09 0.00 0.82 0.00 0.00 66.70 67.76 1ba4 h VAL 18 Cb 0.34 0.26 -0.09 0.00 -1.52 0.00 0.00 31.29 30.29 1ba4 h VAL 18 CO 0.01 0.00 -0.10 -0.26 0.02 0.00 0.00 177.57 177.24 1ba4 h PHE 19 N -0.56 -0.22 -0.14 1.57 -1.00 -1.11 -0.75 116.94 114.73 1ba4 h PHE 19 Ca 0.04 0.04 0.04 0.00 2.81 0.00 0.00 57.97 60.90 1ba4 h PHE 19 Cb 0.60 0.17 -0.05 0.00 3.61 0.00 0.00 35.95 40.28 1ba4 h PHE 19 CO -0.33 -0.19 -0.18 0.35 -1.61 0.00 0.00 178.31 176.35 1ba4 h PHE 20 N 0.02 -0.46 -0.68 -0.55 3.57 -1.06 -2.21 116.94 115.57 1ba4 h PHE 20 Ca 0.23 0.03 0.13 0.00 3.53 0.00 0.00 57.97 61.88 1ba4 h PHE 20 Cb 0.35 0.23 -0.09 0.00 2.79 0.00 0.00 35.95 39.22 1ba4 h PHE 20 CO -0.39 -0.25 0.21 0.00 -2.23 0.00 0.00 178.31 175.64 1ba4 h ALA 21 N 0.81 0.88 -0.19 2.41 0.00 0.72 -1.29 119.26 122.60 1ba4 h ALA 21 Ca 0.10 0.13 0.05 0.00 0.00 0.00 0.00 54.91 55.18 1ba4 h ALA 21 Cb 0.37 0.14 -0.05 0.00 0.00 0.00 0.00 17.79 18.25 1ba4 h ALA 21 CO -0.27 -0.26 -0.10 0.93 0.00 0.00 0.00 179.25 179.55 1ba4 h GLU 22 N 0.34 -0.08 -0.29 0.00 3.07 -0.64 0.16 114.58 117.13 1ba4 h GLU 22 Ca 0.36 0.01 0.07 0.00 -0.50 0.00 0.00 59.36 59.30 1ba4 h GLU 22 Cb 0.55 0.02 -0.07 0.00 -0.84 0.00 0.00 28.75 28.41 1ba4 h GLU 22 CO -0.41 -0.05 -0.18 0.22 -1.40 0.00 0.00 179.01 177.18 1ba4 h ASP 23 N -0.08 -0.61 -0.39 1.42 1.82 -0.98 -1.87 116.42 115.73 1ba4 h ASP 23 Ca 0.11 0.13 0.07 0.00 -0.39 0.00 0.00 57.03 56.95 1ba4 h ASP 23 Cb 0.24 0.31 -0.06 0.00 0.68 0.00 0.00 39.33 40.50 1ba4 h ASP 23 CO -0.25 -0.22 0.01 0.58 -1.61 0.00 0.00 179.24 177.75 1ba4 h VAL 24 N -0.16 0.72 -0.60 2.25 2.07 -0.59 -2.53 116.25 117.42 1ba4 h VAL 24 Ca 0.15 -0.04 0.12 0.00 0.82 0.00 0.00 66.70 67.75 1ba4 h VAL 24 Cb 0.39 0.59 -0.12 0.00 -1.52 0.00 0.00 31.29 30.64 1ba4 h VAL 24 CO -0.39 0.02 -0.18 1.23 0.02 0.00 0.00 177.57 178.27 1ba4 h GLY 25 N 0.12 0.35 -0.34 2.17 0.00 0.11 0.10 103.07 105.59 1ba4 h GLY 25 Ca 0.19 0.24 0.08 0.00 0.00 0.00 0.00 47.33 47.84 1ba4 h GLY 25 CO -0.31 -0.23 -0.39 1.76 0.00 0.00 0.00 176.54 177.36 1ba4 h SER 26 N -0.03 -1.33 -0.09 0.19 0.02 -1.15 -1.46 113.55 109.70 1ba4 h SER 26 Ca 0.28 0.22 -0.00 0.00 -0.84 0.00 0.00 61.79 61.45 1ba4 h SER 26 Cb 0.47 0.61 -0.00 0.00 0.14 0.00 0.00 62.40 63.61 1ba4 h SER 26 CO -0.63 -0.34 0.04 0.78 -1.14 0.00 0.00 176.83 175.54 1ba4 h ASN 27 N -0.26 0.12 -0.83 3.07 4.21 -1.29 -3.07 115.58 117.53 1ba4 h ASN 27 Ca 0.17 -0.13 0.20 0.00 1.21 0.00 0.00 56.30 57.76 1ba4 h ASN 27 Cb 0.57 -0.03 -0.15 0.00 -1.12 0.00 0.00 38.32 37.59 1ba4 h ASN 27 CO -0.61 0.21 0.01 0.11 -1.29 0.00 0.00 177.43 175.86 1ba4 h LYS 28 N 0.02 0.08 -0.27 0.81 1.57 -0.03 0.14 116.57 118.89 1ba4 h LYS 28 Ca 0.03 -0.00 0.06 0.00 -1.87 0.00 0.00 60.65 58.87 1ba4 h LYS 28 Cb 0.12 -0.02 -0.08 0.00 0.08 0.00 0.00 32.23 32.34 1ba4 h LYS 28 CO -0.00 0.05 -0.35 0.78 -0.57 0.00 0.00 179.45 179.37 1ba4 h GLY 29 N 0.09 -0.40 0.91 3.86 0.00 -1.19 0.89 103.07 107.22 1ba4 h GLY 29 Ca 0.47 0.43 -0.01 0.00 0.00 0.00 0.00 47.33 48.22 1ba4 h GLY 29 CO -0.74 -0.21 0.09 0.00 0.00 0.00 0.00 176.54 175.68 1ba4 h ALA 30 N 0.53 0.27 -0.55 3.60 0.00 -1.14 -2.57 119.26 119.39 1ba4 h ALA 30 Ca 0.13 -0.10 0.11 0.00 0.00 0.00 0.00 54.91 55.05 1ba4 h ALA 30 Cb 0.56 -0.08 -0.10 0.00 0.00 0.00 0.00 17.79 18.16 1ba4 h ALA 30 CO -0.46 -0.16 -0.13 0.82 0.00 0.00 0.00 179.25 179.33 1ba4 h ILE 31 N 0.20 0.46 0.06 0.00 2.04 -0.42 -0.44 117.51 119.40 1ba4 h ILE 31 Ca 0.07 -0.00 0.01 0.00 1.00 0.00 0.00 64.86 65.94 1ba4 h ILE 31 Cb 0.14 0.45 -0.02 0.00 -0.74 0.00 0.00 36.82 36.66 1ba4 h ILE 31 CO -0.01 0.00 -0.12 0.40 0.00 0.00 0.00 178.15 178.43 1ba4 h ILE 32 N 0.01 0.73 -0.94 -0.67 2.04 -0.71 -1.10 117.51 116.86 1ba4 h ILE 32 Ca 0.26 0.00 0.20 0.00 1.00 0.00 0.00 64.86 66.33 1ba4 h ILE 32 Cb 0.40 0.73 -0.11 0.00 -0.74 0.00 0.00 36.82 37.10 1ba4 h ILE 32 CO -0.56 0.00 0.51 1.23 0.00 0.00 0.00 178.15 179.34 1ba4 h GLY 33 N -0.23 1.67 0.63 5.37 0.00 -0.73 -0.42 103.07 109.36 1ba4 h GLY 33 Ca 0.02 -0.28 -0.01 0.00 0.00 0.00 0.00 47.33 47.07 1ba4 h GLY 33 CO -0.07 -0.16 -0.11 1.41 0.00 0.00 0.00 176.54 177.61 1ba4 h LEU 34 N 0.59 -0.27 -1.38 3.11 3.38 -0.29 -1.17 115.31 119.29 1ba4 h LEU 34 Ca 0.57 -0.22 -0.00 0.00 0.09 0.00 0.00 57.88 58.31 1ba4 h LEU 34 Cb 0.98 0.07 -0.03 0.00 0.09 0.00 0.00 40.66 41.77 1ba4 h LEU 34 CO -0.44 0.11 0.34 0.00 0.09 0.00 0.00 178.44 178.54 1ba4 h MET 35 N -0.69 0.76 0.04 1.13 -0.00 -0.74 -2.47 114.93 112.97 1ba4 h MET 35 Ca -0.03 -0.06 -0.00 0.00 -0.00 0.00 0.00 59.70 59.60 1ba4 h MET 35 Cb 0.48 -0.16 0.00 0.00 -0.00 0.00 0.00 31.60 31.92 1ba4 h MET 35 CO 0.05 0.53 -0.02 0.28 -0.00 0.00 0.00 176.91 177.76 1ba4 h VAL 36 N 0.77 1.08 0.00 -0.10 2.07 -1.09 -3.48 116.25 115.51 1ba4 h VAL 36 Ca 0.20 -0.39 0.00 0.00 0.82 0.00 0.00 66.70 67.33 1ba4 h VAL 36 Cb -0.03 1.35 0.00 0.00 -1.52 0.00 0.00 31.29 31.08 1ba4 h VAL 36 CO -0.04 0.10 0.00 0.61 0.02 0.00 0.00 177.57 178.26 1ba4 n GLY 37 N -0.65 0.97 0.00 2.17 0.00 -0.59 -5.01 105.19 102.08 1ba4 n GLY 37 Ca -0.08 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.94 1ba4 n GLY 37 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ba4 n GLY 38 N 0.00 0.00 3.74 -0.02 0.00 -0.79 -5.03 105.19 103.09 1ba4 n GLY 38 Ca 0.00 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.75 1ba4 n GLY 38 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1ba4 n VAL 39 N -1.36 -0.21 1.19 1.61 0.31 -0.55 -5.00 118.33 114.32 1ba4 n VAL 39 Ca 0.00 0.00 0.09 0.00 -0.01 0.00 0.00 64.34 64.42 1ba4 n VAL 39 Cb 0.22 -0.62 0.56 0.00 -0.91 0.00 0.00 33.84 33.09 1ba4 n VAL 39 CO 0.00 0.00 0.00 0.52 -1.32 0.00 0.00 176.83 176.03