#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 2.41 -1.32 2.12 0.00 -1.24 -4.86 121.76 118.86 1ba4 s ALA 2 Ca 0.00 -1.21 -0.05 0.00 0.00 0.00 0.00 51.96 50.69 1ba4 s ALA 2 Cb 0.00 -4.34 0.12 0.00 0.00 0.00 0.00 23.12 18.90 1ba4 s ALA 2 CO 0.00 -3.72 2.36 0.39 0.00 0.00 0.00 175.76 174.79 1ba4 n GLU 3 N 9.20 4.58 -2.99 0.00 4.71 -1.26 -3.10 120.64 131.79 1ba4 n GLU 3 Ca 0.17 -3.48 -0.14 0.00 -0.01 0.00 0.00 57.16 53.70 1ba4 n GLU 3 Cb 0.50 -2.64 0.02 0.00 -1.01 0.00 0.00 31.44 28.31 1ba4 n GLU 3 CO 0.00 0.00 0.00 1.19 0.09 0.00 0.00 177.13 178.41 1ba4 n PHE 4 N 1.77 -0.90 -3.42 -0.32 3.72 -1.26 -4.92 117.46 112.12 1ba4 n PHE 4 Ca 0.62 -3.12 -0.24 0.00 -0.05 0.00 0.00 57.45 54.66 1ba4 n PHE 4 Cb 0.25 0.36 0.06 0.00 -0.94 0.00 0.00 39.48 39.20 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 0.26 -6.60 -3.12 -1.08 1.74 -1.26 -4.94 116.66 101.65 1ba4 n ARG 5 Ca 0.17 0.83 -0.19 0.00 -0.77 0.00 0.00 57.85 57.88 1ba4 n ARG 5 Cb 0.69 -5.80 -0.05 0.00 -1.02 0.00 0.00 32.46 26.28 1ba4 n ARG 5 CO 0.00 0.00 0.00 1.58 -1.52 0.00 0.00 177.63 177.69 1ba4 n HIS 6 N -4.79 -1.65 0.00 -1.55 -0.00 -1.18 -5.13 115.22 100.92 1ba4 n HIS 6 Ca -0.03 -2.80 0.00 0.00 0.46 0.00 0.00 57.72 55.35 1ba4 n HIS 6 Cb 0.58 0.49 0.00 0.00 -0.12 0.00 0.00 29.99 30.94 1ba4 n HIS 6 CO 0.00 0.00 0.00 -0.40 0.46 0.00 0.00 176.34 176.40 1ba4 n ASP 7 N 2.26 0.00 -3.01 0.26 5.68 -1.26 -3.73 116.55 116.75 1ba4 n ASP 7 Ca 0.22 0.00 -0.17 0.00 -0.50 0.00 0.00 54.79 54.34 1ba4 n ASP 7 Cb 0.53 0.00 -0.01 0.00 -1.14 0.00 0.00 41.12 40.50 1ba4 n ASP 7 CO 0.00 0.00 0.00 -0.24 -1.33 0.00 0.00 177.20 175.63 1ba4 n SER 8 N 0.00 -0.90 -0.95 -1.12 2.88 -1.26 -4.78 113.62 107.49 1ba4 n SER 8 Ca 0.00 -3.03 -0.04 0.00 -1.33 0.00 0.00 58.87 54.47 1ba4 n SER 8 Cb 0.00 0.36 0.01 0.00 -0.75 0.00 0.00 64.21 63.83 1ba4 n SER 8 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1ba4 n GLY 9 N 1.20 0.56 3.73 0.46 0.00 -1.26 -5.01 105.19 104.87 1ba4 n GLY 9 Ca 0.17 -0.55 -0.41 0.00 0.00 0.00 0.00 46.02 45.22 1ba4 n GLY 9 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1ba4 s TYR 10 N -2.86 3.48 0.09 1.61 5.04 -1.26 -5.00 117.35 118.45 1ba4 s TYR 10 Ca 0.09 1.44 -0.30 0.00 -2.44 0.00 0.00 57.07 55.85 1ba4 s TYR 10 Cb -0.04 -3.38 -0.05 0.00 0.35 0.00 0.00 41.96 38.84 1ba4 s TYR 10 CO 0.11 -1.04 1.02 -2.00 -1.34 0.00 0.00 175.55 172.30 1ba4 s GLU 11 N 0.17 4.61 0.33 4.97 -6.30 -1.26 -5.04 118.70 116.17 1ba4 s GLU 11 Ca 0.54 1.53 0.07 0.00 -2.50 0.00 0.00 54.97 54.61 1ba4 s GLU 11 Cb -0.30 -3.38 -0.02 0.00 0.00 0.00 0.00 34.13 30.43 1ba4 s GLU 11 CO 0.34 0.06 0.37 0.14 0.02 0.00 0.00 175.26 176.19 1ba4 s VAL 12 N 0.37 3.91 0.00 3.70 -7.23 -1.26 -5.09 120.40 114.80 1ba4 s VAL 12 Ca 0.50 -1.18 0.00 0.00 -1.81 0.00 0.00 61.98 59.50 1ba4 s VAL 12 Cb -0.25 -3.33 0.00 0.00 0.56 0.00 0.00 36.38 33.36 1ba4 s VAL 12 CO 0.30 -0.18 0.00 1.41 -0.31 0.00 0.00 175.10 176.32 1ba4 n HIS 13 N -1.49 0.00 -1.76 2.82 8.25 -1.26 -4.83 115.22 116.95 1ba4 n HIS 13 Ca -0.02 0.00 0.03 0.00 -0.26 0.00 0.00 57.72 57.48 1ba4 n HIS 13 Cb 0.59 -0.03 0.05 0.00 1.12 0.00 0.00 29.99 31.71 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 -0.97 0.00 -0.03 4.41 -0.00 -1.26 -4.81 115.22 112.56 1ba4 n HIS 14 Ca 0.00 -0.36 0.15 0.00 -0.00 0.00 0.00 57.72 57.51 1ba4 n HIS 14 Cb 0.00 -0.09 0.58 0.00 -0.00 0.00 0.00 29.99 30.48 1ba4 n HIS 14 CO 0.00 0.00 0.00 1.96 -0.00 0.00 0.00 176.34 178.30 1ba4 h GLN 15 N 0.09 0.21 0.05 -0.41 7.50 -2.00 -1.71 115.11 118.85 1ba4 h GLN 15 Ca -0.01 -0.01 0.02 0.00 0.50 0.00 0.00 58.65 59.15 1ba4 h GLN 15 Cb 1.31 -0.05 -0.04 0.00 0.05 0.00 0.00 27.48 28.75 1ba4 h GLN 15 CO 0.01 0.14 -0.22 1.57 -1.50 0.00 0.00 178.83 178.83 1ba4 h LYS 16 N 0.22 -0.36 -0.49 1.46 5.09 -1.95 -0.78 116.57 119.76 1ba4 h LYS 16 Ca 0.25 0.02 -0.10 0.00 0.09 0.00 0.00 60.65 60.92 1ba4 h LYS 16 Cb 0.71 0.08 -0.02 0.00 0.10 0.00 0.00 32.23 33.10 1ba4 h LYS 16 CO -0.05 -0.24 -0.10 1.37 -2.09 0.00 0.00 179.45 178.34 1ba4 h LEU 17 N -0.38 0.89 -0.17 7.07 8.10 -1.72 -2.41 115.31 126.69 1ba4 h LEU 17 Ca 0.05 -0.28 0.05 0.00 0.11 0.00 0.00 57.88 57.81 1ba4 h LEU 17 Cb 0.43 -0.24 -0.06 0.00 -0.44 0.00 0.00 40.66 40.35 1ba4 h LEU 17 CO -0.17 1.01 -0.23 0.58 -4.11 0.00 0.00 178.44 175.52 1ba4 h VAL 18 N 0.80 0.43 -0.32 0.15 2.07 -0.86 0.33 116.25 118.86 1ba4 h VAL 18 Ca 0.13 0.00 0.06 0.00 0.82 0.00 0.00 66.70 67.71 1ba4 h VAL 18 Cb 0.62 0.43 -0.06 0.00 -1.52 0.00 0.00 31.29 30.77 1ba4 h VAL 18 CO 0.04 0.00 -0.03 -0.26 0.02 0.00 0.00 177.57 177.34 1ba4 h PHE 19 N -0.27 -0.08 -0.21 1.57 0.04 -0.98 -1.66 116.94 115.36 1ba4 h PHE 19 Ca 0.11 0.03 0.06 0.00 2.80 0.00 0.00 57.97 60.97 1ba4 h PHE 19 Cb 0.44 0.09 -0.07 0.00 2.20 0.00 0.00 35.95 38.60 1ba4 h PHE 19 CO -0.35 -0.09 -0.28 0.35 -0.60 0.00 0.00 178.31 177.34 1ba4 h PHE 20 N 0.05 -0.77 -0.53 -0.55 3.57 -0.78 -0.90 116.94 117.03 1ba4 h PHE 20 Ca 0.15 0.04 0.10 0.00 3.53 0.00 0.00 57.97 61.79 1ba4 h PHE 20 Cb 0.22 0.37 -0.08 0.00 2.79 0.00 0.00 35.95 39.25 1ba4 h PHE 20 CO -0.26 -0.36 0.09 0.00 -2.23 0.00 0.00 178.31 175.55 1ba4 h ALA 21 N 0.64 0.60 -0.30 2.41 0.00 -0.25 -0.52 119.26 121.83 1ba4 h ALA 21 Ca 0.12 0.12 0.04 0.00 0.00 0.00 0.00 54.91 55.19 1ba4 h ALA 21 Cb 0.50 0.17 -0.04 0.00 0.00 0.00 0.00 17.79 18.43 1ba4 h ALA 21 CO -0.39 -0.32 0.07 0.93 0.00 0.00 0.00 179.25 179.55 1ba4 h GLU 22 N 0.22 0.18 -0.30 0.00 4.39 -0.42 -0.75 114.58 117.90 1ba4 h GLU 22 Ca 0.27 -0.01 0.07 0.00 0.34 0.00 0.00 59.36 60.03 1ba4 h GLU 22 Cb 0.39 -0.04 -0.07 0.00 -0.10 0.00 0.00 28.75 28.93 1ba4 h GLU 22 CO -0.37 0.12 -0.16 0.22 -1.16 0.00 0.00 179.01 177.67 1ba4 h ASP 23 N 0.19 -0.52 -0.33 1.42 1.82 -0.06 -0.56 116.42 118.37 1ba4 h ASP 23 Ca 0.14 0.12 0.07 0.00 -0.39 0.00 0.00 57.03 56.97 1ba4 h ASP 23 Cb 0.14 0.28 -0.07 0.00 0.68 0.00 0.00 39.33 40.37 1ba4 h ASP 23 CO -0.17 -0.19 -0.11 0.58 -1.61 0.00 0.00 179.24 177.73 1ba4 h VAL 24 N -0.11 0.61 0.46 2.25 2.07 -0.59 0.71 116.25 121.64 1ba4 h VAL 24 Ca 0.16 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.65 1ba4 h VAL 24 Cb 0.35 0.61 0.00 0.00 -1.52 0.00 0.00 31.29 30.74 1ba4 h VAL 24 CO -0.38 0.00 -0.22 1.23 0.02 0.00 0.00 177.57 178.22 1ba4 h GLY 25 N -0.04 -0.65 1.55 2.17 0.00 -0.52 -2.96 103.07 102.62 1ba4 h GLY 25 Ca 0.16 0.24 0.00 0.00 0.00 0.00 0.00 47.33 47.73 1ba4 h GLY 25 CO -0.36 -0.24 0.00 -1.26 0.00 0.00 0.00 176.54 174.68 1ba4 n SER 26 N -5.34 0.00 0.14 0.19 2.88 -0.28 -3.92 113.62 107.30 1ba4 n SER 26 Ca -0.11 -0.09 -0.13 0.00 -1.33 0.00 0.00 58.87 57.20 1ba4 n SER 26 Cb 0.27 -0.27 -0.07 0.00 -0.75 0.00 0.00 64.21 63.39 1ba4 n SER 26 CO 0.00 0.00 0.00 0.78 -1.23 0.00 0.00 175.04 174.59 1ba4 h ASN 27 N 0.00 -0.45 -0.98 -3.46 2.35 0.61 -1.76 115.58 111.89 1ba4 h ASN 27 Ca 0.00 0.04 0.20 0.00 -0.55 0.00 0.00 56.30 55.99 1ba4 h ASN 27 Cb 0.22 0.15 -0.11 0.00 0.05 0.00 0.00 38.32 38.63 1ba4 h ASN 27 CO 0.00 -0.26 0.58 0.50 -1.65 0.00 0.00 177.43 176.60 1ba4 h LYS 28 N -0.38 0.67 0.74 0.81 3.11 -1.74 0.78 116.57 120.56 1ba4 h LYS 28 Ca -0.00 -0.04 -0.03 0.00 -2.81 0.00 0.00 60.65 57.76 1ba4 h LYS 28 Cb 0.35 -0.15 -0.00 0.00 -1.00 0.00 0.00 32.23 31.43 1ba4 h LYS 28 CO -0.03 0.45 -0.43 0.78 -2.81 0.00 0.00 179.45 177.41 1ba4 h GLY 29 N 0.69 -1.18 0.55 5.01 0.00 -1.57 -0.82 103.07 105.75 1ba4 h GLY 29 Ca 0.58 0.48 0.08 0.00 0.00 0.00 0.00 47.33 48.46 1ba4 h GLY 29 CO -0.41 -0.41 0.35 0.00 0.00 0.00 0.00 176.54 176.07 1ba4 h ALA 30 N -0.90 0.93 0.04 3.60 0.00 -0.57 -1.85 119.26 120.50 1ba4 h ALA 30 Ca -0.10 0.04 0.03 0.00 0.00 0.00 0.00 54.91 54.88 1ba4 h ALA 30 Cb 0.87 -0.07 -0.05 0.00 0.00 0.00 0.00 17.79 18.54 1ba4 h ALA 30 CO 0.11 -0.02 -0.34 0.82 0.00 0.00 0.00 179.25 179.82 1ba4 h ILE 31 N 0.62 0.28 -0.49 0.00 2.04 -0.66 -0.06 117.51 119.23 1ba4 h ILE 31 Ca 0.33 0.00 0.07 0.00 1.00 0.00 0.00 64.86 66.25 1ba4 h ILE 31 Cb 0.30 0.28 -0.06 0.00 -0.74 0.00 0.00 36.82 36.60 1ba4 h ILE 31 CO -0.24 0.00 0.18 0.40 0.00 0.00 0.00 178.15 178.49 1ba4 h ILE 32 N -0.52 0.83 -0.35 -0.67 2.04 -0.68 -1.17 117.51 116.99 1ba4 h ILE 32 Ca 0.05 -0.12 0.06 0.00 1.00 0.00 0.00 64.86 65.85 1ba4 h ILE 32 Cb 0.58 0.45 -0.06 0.00 -0.74 0.00 0.00 36.82 37.06 1ba4 h ILE 32 CO -0.25 0.06 -0.01 1.23 0.00 0.00 0.00 178.15 179.18 1ba4 h GLY 33 N 0.35 0.33 1.20 5.37 0.00 -0.50 -1.30 103.07 108.52 1ba4 h GLY 33 Ca 0.24 0.05 -0.16 0.00 0.00 0.00 0.00 47.33 47.46 1ba4 h GLY 33 CO -0.24 -0.09 -0.42 0.17 0.00 0.00 0.00 176.54 175.96 1ba4 h LEU 34 N 0.08 0.93 -1.10 3.11 8.10 -0.47 -1.25 115.31 124.72 1ba4 h LEU 34 Ca 0.17 -0.44 -0.08 0.00 0.11 0.00 0.00 57.88 57.64 1ba4 h LEU 34 Cb 0.24 -0.26 -0.01 0.00 -0.44 0.00 0.00 40.66 40.18 1ba4 h LEU 34 CO -0.30 1.22 -0.18 0.00 -4.11 0.00 0.00 178.44 175.07 1ba4 h MET 35 N 0.70 0.42 0.68 0.17 -0.00 -1.00 0.41 114.93 116.30 1ba4 h MET 35 Ca 0.05 -0.13 -0.03 0.00 -0.00 0.00 0.00 59.70 59.59 1ba4 h MET 35 Cb 1.01 -0.04 0.01 0.00 -0.00 0.00 0.00 31.60 32.57 1ba4 h MET 35 CO 0.10 0.59 -0.32 0.28 -0.00 0.00 0.00 176.91 177.55 1ba4 h VAL 36 N 0.38 0.10 0.00 -0.10 2.07 -1.13 -3.40 116.25 114.17 1ba4 h VAL 36 Ca 0.07 -0.31 0.00 0.00 0.82 0.00 0.00 66.70 67.28 1ba4 h VAL 36 Cb 0.54 0.13 0.00 0.00 -1.52 0.00 0.00 31.29 30.45 1ba4 h VAL 36 CO 0.04 0.01 0.00 0.61 0.02 0.00 0.00 177.57 178.25 1ba4 n GLY 37 N -0.68 0.71 0.07 2.17 0.00 -0.48 -5.07 105.19 101.91 1ba4 n GLY 37 Ca -0.12 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.90 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 2.29 -2.05 2.51 -0.02 0.00 0.14 -4.97 105.19 103.09 1ba4 n GLY 38 Ca 0.00 0.70 -0.20 0.00 0.00 0.00 0.00 46.02 46.52 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 -1.75 1.19 -0.52 1.61 0.31 -1.25 -4.42 118.33 113.49 1ba4 n VAL 39 Ca 0.00 -4.67 0.00 0.00 -0.01 0.00 0.00 64.34 59.66 1ba4 n VAL 39 Cb 0.00 -0.54 0.00 0.00 -0.91 0.00 0.00 33.84 32.39 1ba4 n VAL 39 CO 0.00 0.00 0.00 0.52 -1.32 0.00 0.00 176.83 176.03