#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ba4 n ALA 2 N 0.00 -1.10 0.32 2.24 0.00 -1.26 -4.98 120.51 115.74 1ba4 n ALA 2 Ca 0.00 -1.47 0.13 0.00 0.00 0.00 0.00 53.44 52.10 1ba4 n ALA 2 Cb 0.00 -1.34 0.31 0.00 0.00 0.00 0.00 19.45 18.42 1ba4 n ALA 2 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 1ba4 h GLU 3 N 4.58 0.00 -1.76 0.00 4.81 -2.10 -3.47 114.58 116.64 1ba4 h GLU 3 Ca -0.01 0.00 -0.23 0.00 -0.13 0.00 0.00 59.36 58.99 1ba4 h GLU 3 Cb 1.05 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.42 1ba4 h GLU 3 CO 0.19 0.00 -0.30 1.19 -0.73 0.00 0.00 179.01 179.36 1ba4 n PHE 4 N -2.89 -0.61 -2.69 0.92 3.72 -1.26 -4.94 117.46 109.72 1ba4 n PHE 4 Ca 0.04 0.03 -0.42 0.00 -0.05 0.00 0.00 57.45 57.05 1ba4 n PHE 4 Cb 0.46 -2.68 0.01 0.00 -0.94 0.00 0.00 39.48 36.34 1ba4 n PHE 4 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 176.76 177.25 1ba4 n ARG 5 N -2.16 4.98 -0.23 -1.08 3.00 -1.26 -4.79 116.66 115.13 1ba4 n ARG 5 Ca -0.13 -4.47 -0.01 0.00 -0.01 0.00 0.00 57.85 53.22 1ba4 n ARG 5 Cb 0.60 -2.52 0.01 0.00 0.00 0.00 0.00 32.46 30.55 1ba4 n ARG 5 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.63 178.35 1ba4 n HIS 6 N 0.74 0.15 -2.51 -1.55 8.25 -1.26 -4.89 115.22 114.15 1ba4 n HIS 6 Ca 0.41 -0.75 -0.41 0.00 -0.26 0.00 0.00 57.72 56.71 1ba4 n HIS 6 Cb 0.29 -0.38 -0.04 0.00 1.12 0.00 0.00 29.99 30.98 1ba4 n HIS 6 CO 0.00 0.00 0.00 0.16 0.64 0.00 0.00 176.34 177.14 1ba4 s ASP 7 N 1.21 7.24 0.42 0.41 1.47 -1.26 -5.00 116.67 121.16 1ba4 s ASP 7 Ca 0.03 2.06 -0.25 0.00 1.18 0.00 0.00 52.55 55.57 1ba4 s ASP 7 Cb 0.02 -2.60 -0.08 0.00 -0.34 0.00 0.00 42.92 39.92 1ba4 s ASP 7 CO 0.00 -0.26 1.25 -0.44 0.68 0.00 0.00 175.17 176.41 1ba4 s SER 8 N 0.10 6.28 0.00 2.11 0.01 -1.26 -4.99 113.70 115.94 1ba4 s SER 8 Ca 0.51 2.53 0.00 0.00 1.31 0.00 0.00 55.95 60.29 1ba4 s SER 8 Cb -0.29 -2.63 0.00 0.00 0.21 0.00 0.00 66.02 63.31 1ba4 s SER 8 CO 0.34 -0.86 0.08 0.61 0.41 0.00 0.00 173.24 173.82 1ba4 n GLY 9 N 0.64 -0.17 2.05 3.44 0.00 -1.26 -5.04 105.19 104.86 1ba4 n GLY 9 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.07 1ba4 n GLY 9 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 1ba4 n TYR 10 N -1.58 -2.80 0.00 1.61 9.36 -1.26 -5.04 117.16 117.45 1ba4 n TYR 10 Ca 0.00 0.39 0.00 0.00 3.32 0.00 0.00 57.90 61.61 1ba4 n TYR 10 Cb 0.00 1.33 0.00 0.00 -0.63 0.00 0.00 39.34 40.04 1ba4 n TYR 10 CO 0.00 0.00 0.00 -1.91 0.22 0.00 0.00 176.86 175.17 1ba4 n GLU 11 N -2.75 0.00 0.00 2.98 4.07 -1.26 -5.15 120.64 118.53 1ba4 n GLU 11 Ca 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.10 1ba4 n GLU 11 Cb 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 31.44 31.38 1ba4 n GLU 11 CO 0.00 0.00 0.00 1.33 -0.06 0.00 0.00 177.13 178.40 1ba4 n VAL 12 N -2.15 0.00 0.00 6.31 0.24 -1.26 -5.03 118.33 116.44 1ba4 n VAL 12 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.30 1ba4 n VAL 12 Cb 0.00 -1.45 0.00 0.00 -1.47 0.00 0.00 33.84 30.92 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 -1.63 0.00 -1.71 6.34 8.25 -1.26 -4.90 115.22 120.31 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 -2.39 0.64 0.00 0.00 176.34 174.59 1ba4 n HIS 14 N -0.01 0.00 -0.24 4.41 1.44 -1.26 -4.92 115.22 114.64 1ba4 n HIS 14 Ca 0.00 0.00 -0.02 0.00 -2.01 0.00 0.00 57.72 55.69 1ba4 n HIS 14 Cb 0.00 0.06 0.09 0.00 0.12 0.00 0.00 29.99 30.26 1ba4 n HIS 14 CO 0.00 0.00 0.00 0.37 -2.81 0.00 0.00 176.34 173.90 1ba4 h GLN 15 N 0.00 0.74 0.15 -1.40 4.15 -2.00 0.34 115.11 117.09 1ba4 h GLN 15 Ca 0.00 -0.04 0.01 0.00 0.77 0.00 0.00 58.65 59.38 1ba4 h GLN 15 Cb 0.64 -0.17 -0.02 0.00 0.21 0.00 0.00 27.48 28.15 1ba4 h GLN 15 CO 0.00 0.49 -0.18 -0.22 -1.93 0.00 0.00 178.83 176.99 1ba4 h LYS 16 N 0.76 -0.36 -0.80 1.69 1.63 -1.95 -2.45 116.57 115.10 1ba4 h LYS 16 Ca 0.30 0.02 -0.04 0.00 -0.85 0.00 0.00 60.65 60.08 1ba4 h LYS 16 Cb 0.12 0.08 -0.04 0.00 -0.60 0.00 0.00 32.23 31.80 1ba4 h LYS 16 CO -0.15 -0.24 0.35 1.37 -3.45 0.00 0.00 179.45 177.32 1ba4 h LEU 17 N -0.38 1.07 -0.12 5.20 8.10 -1.81 -1.89 115.31 125.48 1ba4 h LEU 17 Ca 0.01 -0.15 0.04 0.00 0.11 0.00 0.00 57.88 57.90 1ba4 h LEU 17 Cb 0.37 -0.28 -0.06 0.00 -0.44 0.00 0.00 40.66 40.26 1ba4 h LEU 17 CO -0.07 0.92 -0.35 0.58 -4.11 0.00 0.00 178.44 175.41 1ba4 h VAL 18 N 1.15 0.24 -0.28 0.15 2.07 -0.55 0.20 116.25 119.24 1ba4 h VAL 18 Ca 0.27 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.79 1ba4 h VAL 18 Cb 0.17 0.24 -0.01 0.00 -1.52 0.00 0.00 31.29 30.17 1ba4 h VAL 18 CO -0.03 0.00 0.17 -0.26 0.02 0.00 0.00 177.57 177.47 1ba4 h PHE 19 N -0.43 0.36 -0.12 1.57 0.04 -1.28 -2.10 116.94 114.98 1ba4 h PHE 19 Ca 0.09 0.00 0.05 0.00 2.80 0.00 0.00 57.97 60.90 1ba4 h PHE 19 Cb 0.57 -0.12 -0.06 0.00 2.20 0.00 0.00 35.95 38.55 1ba4 h PHE 19 CO -0.42 0.27 -0.27 0.35 -0.60 0.00 0.00 178.31 177.64 1ba4 h PHE 20 N 0.35 -0.72 -0.72 -0.55 3.57 -0.74 -1.73 116.94 116.39 1ba4 h PHE 20 Ca 0.10 0.03 0.12 0.00 3.53 0.00 0.00 57.97 61.76 1ba4 h PHE 20 Cb 0.01 0.34 -0.09 0.00 2.79 0.00 0.00 35.95 39.00 1ba4 h PHE 20 CO -0.05 -0.35 0.30 0.00 -2.23 0.00 0.00 178.31 175.98 1ba4 h ALA 21 N 0.56 1.00 -0.08 2.41 0.00 -0.41 -1.21 119.26 121.53 1ba4 h ALA 21 Ca 0.10 0.10 0.04 0.00 0.00 0.00 0.00 54.91 55.14 1ba4 h ALA 21 Cb 0.49 0.06 -0.05 0.00 0.00 0.00 0.00 17.79 18.29 1ba4 h ALA 21 CO -0.32 -0.17 -0.19 1.49 0.00 0.00 0.00 179.25 180.06 1ba4 h GLU 22 N 0.47 -0.26 -0.24 0.00 4.81 -0.63 0.17 114.58 118.90 1ba4 h GLU 22 Ca 0.39 0.02 0.06 0.00 -0.13 0.00 0.00 59.36 59.69 1ba4 h GLU 22 Cb 0.54 0.06 -0.07 0.00 0.63 0.00 0.00 28.75 29.91 1ba4 h GLU 22 CO -0.36 -0.17 -0.20 0.22 -0.73 0.00 0.00 179.01 177.77 1ba4 h ASP 23 N -0.26 -0.64 -0.41 1.04 1.82 -0.74 -2.14 116.42 115.09 1ba4 h ASP 23 Ca 0.08 0.12 0.08 0.00 -0.39 0.00 0.00 57.03 56.92 1ba4 h ASP 23 Cb 0.38 0.31 -0.07 0.00 0.68 0.00 0.00 39.33 40.64 1ba4 h ASP 23 CO -0.23 -0.24 0.00 0.58 -1.61 0.00 0.00 179.24 177.74 1ba4 h VAL 24 N -0.20 0.69 -0.74 2.25 2.07 -0.69 -0.92 116.25 118.70 1ba4 h VAL 24 Ca 0.14 -0.04 0.14 0.00 0.82 0.00 0.00 66.70 67.76 1ba4 h VAL 24 Cb 0.41 0.57 -0.14 0.00 -1.52 0.00 0.00 31.29 30.61 1ba4 h VAL 24 CO -0.36 0.02 -0.24 1.23 0.02 0.00 0.00 177.57 178.24 1ba4 h GLY 25 N 0.11 0.36 0.65 2.17 0.00 -0.00 0.70 103.07 107.06 1ba4 h GLY 25 Ca 0.20 0.32 -0.03 0.00 0.00 0.00 0.00 47.33 47.82 1ba4 h GLY 25 CO -0.34 -0.27 -0.27 0.23 0.00 0.00 0.00 176.54 175.89 1ba4 h SER 26 N -0.04 -0.65 0.00 0.19 0.87 -1.24 -1.62 113.55 111.06 1ba4 h SER 26 Ca 0.33 -0.02 0.00 0.00 -1.23 0.00 0.00 61.79 60.87 1ba4 h SER 26 Cb 0.56 0.17 0.00 0.00 -0.44 0.00 0.00 62.40 62.69 1ba4 h SER 26 CO -0.78 -0.26 0.00 0.59 -0.53 0.00 0.00 176.83 175.85 1ba4 n ASN 27 N -5.30 0.00 -0.28 6.23 4.13 -0.41 -1.29 115.26 118.34 1ba4 n ASN 27 Ca -0.11 0.91 0.23 0.00 1.68 0.00 0.00 54.58 57.30 1ba4 n ASN 27 Cb 0.33 -0.41 0.55 0.00 -1.54 0.00 0.00 39.78 38.70 1ba4 n ASN 27 CO 0.00 0.00 0.00 0.07 0.28 0.00 0.00 177.26 177.61 1ba4 h LYS 28 N 0.00 0.32 0.63 3.52 2.10 0.20 -0.63 116.57 122.71 1ba4 h LYS 28 Ca 0.00 -0.02 -0.02 0.00 -2.00 0.00 0.00 60.65 58.61 1ba4 h LYS 28 Cb 0.00 -0.07 -0.01 0.00 -0.90 0.00 0.00 32.23 31.24 1ba4 h LYS 28 CO 0.00 0.21 -0.50 0.78 -2.00 0.00 0.00 179.45 177.94 1ba4 h GLY 29 N 0.33 -1.31 0.82 0.07 0.00 -1.01 0.51 103.07 102.48 1ba4 h GLY 29 Ca 0.53 0.58 0.04 0.00 0.00 0.00 0.00 47.33 48.48 1ba4 h GLY 29 CO -0.20 -0.41 0.38 0.00 0.00 0.00 0.00 176.54 176.30 1ba4 h ALA 30 N -1.02 0.83 0.06 3.60 0.00 0.19 -1.68 119.26 121.24 1ba4 h ALA 30 Ca -0.08 -0.01 0.03 0.00 0.00 0.00 0.00 54.91 54.85 1ba4 h ALA 30 Cb 0.92 -0.17 -0.05 0.00 0.00 0.00 0.00 17.79 18.49 1ba4 h ALA 30 CO 0.01 0.10 -0.34 0.82 0.00 0.00 0.00 179.25 179.84 1ba4 h ILE 31 N 0.73 0.27 -0.45 0.00 2.04 -0.90 -0.02 117.51 119.17 1ba4 h ILE 31 Ca 0.26 0.00 0.05 0.00 1.00 0.00 0.00 64.86 66.17 1ba4 h ILE 31 Cb 0.07 0.27 -0.04 0.00 -0.74 0.00 0.00 36.82 36.37 1ba4 h ILE 31 CO -0.12 0.00 0.20 0.40 0.00 0.00 0.00 178.15 178.63 1ba4 h ILE 32 N -0.54 0.92 -0.34 -0.67 2.04 -0.67 -0.99 117.51 117.27 1ba4 h ILE 32 Ca 0.04 -0.14 0.07 0.00 1.00 0.00 0.00 64.86 65.84 1ba4 h ILE 32 Cb 0.59 0.48 -0.07 0.00 -0.74 0.00 0.00 36.82 37.09 1ba4 h ILE 32 CO -0.24 0.07 -0.11 1.23 0.00 0.00 0.00 178.15 179.11 1ba4 h GLY 33 N 0.40 0.21 0.94 5.37 0.00 -0.61 -0.29 103.07 109.09 1ba4 h GLY 33 Ca 0.20 0.14 0.01 0.00 0.00 0.00 0.00 47.33 47.68 1ba4 h GLY 33 CO -0.17 -0.15 0.08 1.41 0.00 0.00 0.00 176.54 177.72 1ba4 h LEU 34 N -0.03 0.13 -0.39 3.11 3.38 -0.38 -0.27 115.31 120.86 1ba4 h LEU 34 Ca 0.17 0.01 0.08 0.00 0.09 0.00 0.00 57.88 58.22 1ba4 h LEU 34 Cb 0.29 -0.02 -0.07 0.00 0.09 0.00 0.00 40.66 40.95 1ba4 h LEU 34 CO -0.37 0.10 -0.05 -0.03 0.09 0.00 0.00 178.44 178.18 1ba4 h MET 35 N 0.18 0.05 0.26 1.13 4.05 -0.52 -2.40 114.93 117.67 1ba4 h MET 35 Ca 0.07 -0.00 -0.01 0.00 -0.28 0.00 0.00 59.70 59.47 1ba4 h MET 35 Cb 0.01 -0.01 -0.00 0.00 -0.80 0.00 0.00 31.60 30.79 1ba4 h MET 35 CO -0.04 0.03 -0.16 0.28 0.23 0.00 0.00 176.91 177.25 1ba4 h VAL 36 N 0.05 0.66 0.00 -5.77 2.07 -0.80 -3.49 116.25 108.97 1ba4 h VAL 36 Ca 0.19 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.71 1ba4 h VAL 36 Cb 0.28 0.66 0.00 0.00 -1.52 0.00 0.00 31.29 30.72 1ba4 h VAL 36 CO -0.37 0.00 0.00 0.61 0.02 0.00 0.00 177.57 177.83 1ba4 n GLY 37 N -1.28 0.79 2.28 2.17 0.00 -0.13 -5.01 105.19 104.00 1ba4 n GLY 37 Ca -0.09 -0.70 0.00 0.00 0.00 0.00 0.00 46.02 45.23 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 2.74 1.50 -0.02 0.00 -1.26 -4.41 105.19 103.74 1ba4 n GLY 38 Ca 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.89 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 -0.12 2.44 1.60 1.61 0.31 -1.26 -5.20 118.33 117.71 1ba4 n VAL 39 Ca 0.00 -3.81 0.13 0.00 -0.01 0.00 0.00 64.34 60.65 1ba4 n VAL 39 Cb 0.00 -0.80 0.76 0.00 -0.91 0.00 0.00 33.84 32.89 1ba4 n VAL 39 CO 0.00 0.00 0.00 0.52 -1.32 0.00 0.00 176.83 176.03