#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 3.04 0.47 2.12 0.00 -1.26 -4.84 121.76 121.29 1ba4 s ALA 2 Ca 0.00 -1.31 0.41 0.00 0.00 0.00 0.00 51.96 51.06 1ba4 s ALA 2 Cb 0.00 -3.92 2.08 0.00 0.00 0.00 0.00 23.12 21.28 1ba4 s ALA 2 CO 0.00 -2.70 2.24 0.93 0.00 0.00 0.00 175.76 176.23 1ba4 h GLU 3 N 9.55 0.00 0.00 0.00 3.07 -1.94 -3.41 114.58 121.85 1ba4 h GLU 3 Ca -0.27 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.59 1ba4 h GLU 3 Cb 1.06 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.97 1ba4 h GLU 3 CO 1.17 0.00 0.00 0.34 -1.40 0.00 0.00 179.01 179.12 1ba4 n PHE 4 N -3.06 0.00 -4.00 4.33 7.35 -1.26 -5.01 117.46 115.81 1ba4 n PHE 4 Ca -0.02 0.00 -0.42 0.00 -0.76 0.00 0.00 57.45 56.25 1ba4 n PHE 4 Cb 0.14 0.00 0.02 0.00 0.35 0.00 0.00 39.48 40.00 1ba4 n PHE 4 CO 0.00 0.00 0.00 -2.13 -0.76 0.00 0.00 176.76 173.87 1ba4 n ARG 5 N 0.00 -0.50 -3.42 -4.13 0.63 -1.26 -1.30 116.66 106.69 1ba4 n ARG 5 Ca 0.00 0.20 -0.21 0.00 -0.92 0.00 0.00 57.85 56.92 1ba4 n ARG 5 Cb 0.00 -2.68 -0.04 0.00 0.45 0.00 0.00 32.46 30.19 1ba4 n ARG 5 CO 0.00 0.00 0.00 -2.39 -2.51 0.00 0.00 177.63 172.73 1ba4 n HIS 6 N -4.66 -1.47 -1.20 -0.14 1.44 -1.26 -4.87 115.22 103.05 1ba4 n HIS 6 Ca -0.13 0.34 -0.34 0.00 -2.01 0.00 0.00 57.72 55.57 1ba4 n HIS 6 Cb 0.58 -1.36 0.12 0.00 0.12 0.00 0.00 29.99 29.44 1ba4 n HIS 6 CO 0.00 0.00 0.00 -0.40 -2.81 0.00 0.00 176.34 173.13 1ba4 n ASP 7 N -1.86 0.94 -4.80 4.39 5.75 -0.42 -4.99 116.55 115.57 1ba4 n ASP 7 Ca 0.06 0.62 -0.32 0.00 -0.01 0.00 0.00 54.79 55.14 1ba4 n ASP 7 Cb 0.45 -1.49 0.04 0.00 -1.03 0.00 0.00 41.12 39.09 1ba4 n ASP 7 CO 0.00 0.00 0.00 -0.94 -0.11 0.00 0.00 177.20 176.15 1ba4 s SER 8 N -1.96 5.33 0.00 -1.12 1.04 -1.26 -4.81 113.70 110.92 1ba4 s SER 8 Ca 0.74 1.78 0.00 0.00 0.48 0.00 0.00 55.95 58.95 1ba4 s SER 8 Cb -0.31 -2.52 0.00 0.00 0.10 0.00 0.00 66.02 63.29 1ba4 s SER 8 CO 0.50 -1.47 0.00 0.61 0.98 0.00 0.00 173.24 173.86 1ba4 n GLY 9 N -1.28 -0.56 0.37 7.32 0.00 -1.26 -5.01 105.19 104.77 1ba4 n GLY 9 Ca 0.09 0.45 0.19 0.00 0.00 0.00 0.00 46.02 46.75 1ba4 n GLY 9 CO 0.00 0.00 0.00 0.10 0.00 0.00 0.00 173.32 173.42 1ba4 h TYR 10 N 0.00 0.00 0.00 1.61 -0.00 -2.03 -3.45 116.97 113.10 1ba4 h TYR 10 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.73 58.73 1ba4 h TYR 10 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 36.73 36.73 1ba4 h TYR 10 CO 0.00 0.00 0.00 -1.91 -0.00 0.00 0.00 178.16 176.25 1ba4 n GLU 11 N -3.66 0.00 -1.38 0.10 2.13 -1.26 -4.74 120.64 111.83 1ba4 n GLU 11 Ca 0.05 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.87 1ba4 n GLU 11 Cb 0.51 0.00 0.00 0.00 0.27 0.00 0.00 31.44 32.22 1ba4 n GLU 11 CO 0.00 0.00 0.00 1.33 -0.41 0.00 0.00 177.13 178.05 1ba4 n VAL 12 N 0.00 0.00 0.00 6.31 0.24 -1.26 -5.06 118.33 118.56 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 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 32.37 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 0.00 0.00 -0.39 6.34 8.25 -1.26 -4.69 115.22 123.46 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 -0.26 0.00 0.00 1.12 0.00 0.00 29.99 30.85 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 -1.27 0.00 0.28 4.41 8.25 -1.26 -4.71 115.22 120.92 1ba4 n HIS 14 Ca 0.00 0.00 0.15 0.00 -0.26 0.00 0.00 57.72 57.61 1ba4 n HIS 14 Cb 0.00 0.00 0.81 0.00 1.12 0.00 0.00 29.99 31.92 1ba4 n HIS 14 CO 0.00 0.00 0.00 1.96 0.64 0.00 0.00 176.34 178.94 1ba4 h GLN 15 N 0.00 0.00 -0.67 -0.41 1.08 -1.97 -0.76 115.11 112.38 1ba4 h GLN 15 Ca 0.00 0.00 -0.00 0.00 -1.45 0.00 0.00 58.65 57.20 1ba4 h GLN 15 Cb 0.20 0.00 -0.03 0.00 -0.05 0.00 0.00 27.48 27.59 1ba4 h GLN 15 CO 0.00 0.08 0.42 -0.22 -0.95 0.00 0.00 178.83 178.16 1ba4 h LYS 16 N 0.00 0.91 -0.34 1.46 1.63 -1.84 -0.48 116.57 117.91 1ba4 h LYS 16 Ca -0.00 -0.07 -0.08 0.00 -0.85 0.00 0.00 60.65 59.65 1ba4 h LYS 16 Cb 0.27 -0.19 -0.01 0.00 -0.60 0.00 0.00 32.23 31.69 1ba4 h LYS 16 CO 0.01 0.63 -0.08 1.37 -3.45 0.00 0.00 179.45 177.93 1ba4 h LEU 17 N 0.92 0.66 -0.24 5.20 8.10 -1.49 -1.36 115.31 127.10 1ba4 h LEU 17 Ca 0.24 -0.36 0.06 0.00 0.11 0.00 0.00 57.88 57.93 1ba4 h LEU 17 Cb -0.05 -0.18 -0.06 0.00 -0.44 0.00 0.00 40.66 39.92 1ba4 h LEU 17 CO -0.05 0.87 -0.18 0.58 -4.11 0.00 0.00 178.44 175.55 1ba4 h VAL 18 N 0.45 0.49 -0.41 0.15 2.07 -1.00 0.33 116.25 118.33 1ba4 h VAL 18 Ca 0.09 0.00 0.03 0.00 0.82 0.00 0.00 66.70 67.64 1ba4 h VAL 18 Cb 0.58 0.49 -0.03 0.00 -1.52 0.00 0.00 31.29 30.81 1ba4 h VAL 18 CO 0.03 0.00 0.21 -0.26 0.02 0.00 0.00 177.57 177.57 1ba4 h PHE 19 N -0.18 0.38 -0.28 1.57 0.04 -0.97 -2.16 116.94 115.34 1ba4 h PHE 19 Ca 0.14 0.02 0.07 0.00 2.80 0.00 0.00 57.97 60.99 1ba4 h PHE 19 Cb 0.39 -0.11 -0.07 0.00 2.20 0.00 0.00 35.95 38.35 1ba4 h PHE 19 CO -0.35 0.20 -0.18 0.35 -0.60 0.00 0.00 178.31 177.73 1ba4 h PHE 20 N 0.42 -0.46 -0.58 -0.55 3.57 -0.18 -0.90 116.94 118.25 1ba4 h PHE 20 Ca 0.17 0.04 0.10 0.00 3.53 0.00 0.00 57.97 61.81 1ba4 h PHE 20 Cb 0.08 0.25 -0.08 0.00 2.79 0.00 0.00 35.95 38.98 1ba4 h PHE 20 CO -0.10 -0.26 0.14 0.00 -2.23 0.00 0.00 178.31 175.86 1ba4 h ALA 21 N 1.01 0.69 -0.16 2.41 0.00 -0.40 -0.46 119.26 122.35 1ba4 h ALA 21 Ca 0.15 0.12 0.03 0.00 0.00 0.00 0.00 54.91 55.21 1ba4 h ALA 21 Cb 0.39 0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.31 1ba4 h ALA 21 CO -0.38 -0.29 0.00 0.93 0.00 0.00 0.00 179.25 179.51 1ba4 h GLU 22 N 0.27 0.05 -0.36 0.00 5.08 -0.64 0.23 114.58 119.22 1ba4 h GLU 22 Ca 0.30 -0.00 0.08 0.00 -1.00 0.00 0.00 59.36 58.74 1ba4 h GLU 22 Cb 0.43 -0.01 -0.09 0.00 0.50 0.00 0.00 28.75 29.58 1ba4 h GLU 22 CO -0.37 0.03 -0.27 0.22 -1.00 0.00 0.00 179.01 177.62 1ba4 h ASP 23 N 0.05 -0.88 -0.06 1.42 1.82 -0.08 -1.47 116.42 117.22 1ba4 h ASP 23 Ca 0.07 0.17 0.04 0.00 -0.39 0.00 0.00 57.03 56.92 1ba4 h ASP 23 Cb 0.09 0.43 -0.05 0.00 0.68 0.00 0.00 39.33 40.48 1ba4 h ASP 23 CO -0.13 -0.29 -0.22 0.58 -1.61 0.00 0.00 179.24 177.58 1ba4 h VAL 24 N -0.22 0.47 -0.28 2.25 2.07 -0.68 0.17 116.25 120.03 1ba4 h VAL 24 Ca 0.17 0.00 0.06 0.00 0.82 0.00 0.00 66.70 67.76 1ba4 h VAL 24 Cb 0.49 0.47 -0.08 0.00 -1.52 0.00 0.00 31.29 30.66 1ba4 h VAL 24 CO -0.48 0.00 -0.31 1.23 0.02 0.00 0.00 177.57 178.02 1ba4 h GLY 25 N -0.32 -0.31 0.78 2.17 0.00 -0.15 -2.12 103.07 103.12 1ba4 h GLY 25 Ca 0.08 0.39 -0.01 0.00 0.00 0.00 0.00 47.33 47.79 1ba4 h GLY 25 CO -0.24 -0.21 -0.05 1.48 0.00 0.00 0.00 176.54 177.51 1ba4 h SER 26 N -0.31 -0.13 -0.95 0.19 4.64 -1.11 -3.21 113.55 112.68 1ba4 h SER 26 Ca 0.14 -0.19 0.27 0.00 -0.47 0.00 0.00 61.79 61.54 1ba4 h SER 26 Cb 0.53 0.03 -0.17 0.00 -0.31 0.00 0.00 62.40 62.48 1ba4 h SER 26 CO -0.45 0.11 0.13 0.78 -0.87 0.00 0.00 176.83 176.53 1ba4 h ASN 27 N -0.38 -0.28 -0.86 4.97 -0.26 -0.61 -1.69 115.58 116.48 1ba4 h ASN 27 Ca -0.02 0.25 0.35 0.00 -0.56 0.00 0.00 56.30 56.33 1ba4 h ASN 27 Cb 0.31 0.40 -0.15 0.00 -1.06 0.00 0.00 38.32 37.83 1ba4 h ASN 27 CO 0.03 -0.31 0.47 1.17 -1.06 0.00 0.00 177.43 177.73 1ba4 n LYS 28 N -5.40 -0.05 0.41 0.81 4.81 -0.83 -0.33 118.16 117.59 1ba4 n LYS 28 Ca 0.24 1.14 -0.18 0.00 -0.87 0.00 0.00 58.31 58.63 1ba4 n LYS 28 Cb 0.78 -2.06 -0.09 0.00 0.02 0.00 0.00 35.03 33.68 1ba4 n LYS 28 CO 0.00 0.00 0.00 0.78 1.17 0.00 0.00 177.40 179.35 1ba4 h GLY 29 N 0.00 -1.08 0.84 3.14 0.00 -1.52 -1.07 103.07 103.38 1ba4 h GLY 29 Ca 0.71 0.40 0.04 0.00 0.00 0.00 0.00 47.33 48.48 1ba4 h GLY 29 CO -0.62 -0.39 0.60 0.00 0.00 0.00 0.00 176.54 176.13 1ba4 h ALA 30 N -0.91 1.23 -0.02 3.60 0.00 -0.86 -2.37 119.26 119.93 1ba4 h ALA 30 Ca -0.11 -0.04 0.03 0.00 0.00 0.00 0.00 54.91 54.80 1ba4 h ALA 30 Cb 0.81 -0.31 -0.05 0.00 0.00 0.00 0.00 17.79 18.24 1ba4 h ALA 30 CO 0.17 0.44 -0.27 0.82 0.00 0.00 0.00 179.25 180.42 1ba4 h ILE 31 N 1.14 0.39 -0.44 0.00 2.04 -0.86 0.31 117.51 120.10 1ba4 h ILE 31 Ca 0.38 0.00 0.07 0.00 1.00 0.00 0.00 64.86 66.30 1ba4 h ILE 31 Cb 0.04 0.39 -0.06 0.00 -0.74 0.00 0.00 36.82 36.45 1ba4 h ILE 31 CO -0.13 0.00 0.10 0.40 0.00 0.00 0.00 178.15 178.52 1ba4 h ILE 32 N -0.40 0.79 -0.37 -0.67 2.04 -0.77 -0.61 117.51 117.51 1ba4 h ILE 32 Ca 0.07 -0.08 0.07 0.00 1.00 0.00 0.00 64.86 65.92 1ba4 h ILE 32 Cb 0.50 0.52 -0.07 0.00 -0.74 0.00 0.00 36.82 37.03 1ba4 h ILE 32 CO -0.25 0.04 -0.06 1.23 0.00 0.00 0.00 178.15 179.12 1ba4 h GLY 33 N 0.24 0.31 0.80 5.37 0.00 -0.83 -1.11 103.07 107.86 1ba4 h GLY 33 Ca 0.21 0.10 0.02 0.00 0.00 0.00 0.00 47.33 47.66 1ba4 h GLY 33 CO -0.26 -0.13 0.07 1.41 0.00 0.00 0.00 176.54 177.63 1ba4 h LEU 34 N 0.03 0.07 -0.42 3.11 3.38 -0.08 -0.33 115.31 121.08 1ba4 h LEU 34 Ca 0.18 0.03 0.08 0.00 0.09 0.00 0.00 57.88 58.26 1ba4 h LEU 34 Cb 0.27 0.02 -0.08 0.00 0.09 0.00 0.00 40.66 40.96 1ba4 h LEU 34 CO -0.36 0.07 -0.08 0.24 0.09 0.00 0.00 178.44 178.41 1ba4 h MET 35 N 0.18 0.03 0.19 1.13 2.86 -0.42 -1.91 114.93 116.98 1ba4 h MET 35 Ca 0.10 -0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.74 1ba4 h MET 35 Cb 0.07 -0.01 -0.01 0.00 0.06 0.00 0.00 31.60 31.71 1ba4 h MET 35 CO -0.11 0.02 -0.18 0.28 1.06 0.00 0.00 176.91 177.98 1ba4 h VAL 36 N 0.03 0.61 0.00 -2.22 2.07 -0.85 -3.49 116.25 112.41 1ba4 h VAL 36 Ca 0.20 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.72 1ba4 h VAL 36 Cb 0.31 0.61 0.00 0.00 -1.52 0.00 0.00 31.29 30.69 1ba4 h VAL 36 CO -0.41 0.00 0.00 0.61 0.02 0.00 0.00 177.57 177.79 1ba4 n GLY 37 N -1.30 4.31 0.26 2.17 0.00 -0.17 -4.76 105.19 105.71 1ba4 n GLY 37 Ca -0.08 -1.15 -0.05 0.00 0.00 0.00 0.00 46.02 44.74 1ba4 n GLY 37 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1ba4 h GLY 38 N 0.00 0.94 -3.74 -0.02 0.00 -1.78 -1.71 103.07 96.76 1ba4 h GLY 38 Ca 0.00 -0.35 -0.49 0.00 0.00 0.00 0.00 47.33 46.50 1ba4 h GLY 38 CO 0.00 0.33 0.62 -0.62 0.00 0.00 0.00 176.54 176.87 1ba4 n VAL 39 N -4.63 3.05 -0.84 4.60 0.31 -1.26 -5.13 118.33 114.42 1ba4 n VAL 39 Ca 0.06 -1.95 0.00 0.00 -0.01 0.00 0.00 64.34 62.44 1ba4 n VAL 39 Cb 0.03 -0.79 0.00 0.00 -0.91 0.00 0.00 33.84 32.17 1ba4 n VAL 39 CO 0.00 0.00 0.00 0.52 -1.32 0.00 0.00 176.83 176.03