#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 4.86 -2.54 2.12 0.00 -1.26 -4.67 120.51 119.02 1ba4 n ALA 2 Ca 0.00 -4.39 -0.17 0.00 0.00 0.00 0.00 53.44 48.88 1ba4 n ALA 2 Cb 0.00 -2.88 0.02 0.00 0.00 0.00 0.00 19.45 16.59 1ba4 n ALA 2 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1ba4 n GLU 3 N 3.92 2.38 -2.65 0.00 1.02 -1.26 -4.92 120.64 119.13 1ba4 n GLU 3 Ca 0.36 -3.88 -0.42 0.00 -0.02 0.00 0.00 57.16 53.20 1ba4 n GLU 3 Cb 0.38 -1.79 0.01 0.00 -0.02 0.00 0.00 31.44 30.01 1ba4 n GLU 3 CO 0.00 0.00 0.00 1.97 1.18 0.00 0.00 177.13 180.28 1ba4 n PHE 4 N -0.35 2.54 -2.53 -0.32 1.16 -1.26 -4.67 117.46 112.02 1ba4 n PHE 4 Ca 0.24 -2.66 -0.05 0.00 -1.87 0.00 0.00 57.45 53.11 1ba4 n PHE 4 Cb 0.77 -1.55 0.01 0.00 -1.61 0.00 0.00 39.48 37.10 1ba4 n PHE 4 CO 0.00 0.00 0.00 -2.13 -1.87 0.00 0.00 176.76 172.76 1ba4 n ARG 5 N 2.19 -2.04 -1.35 3.97 0.63 -1.26 -4.89 116.66 113.92 1ba4 n ARG 5 Ca 0.35 1.88 -0.23 0.00 -0.92 0.00 0.00 57.85 58.92 1ba4 n ARG 5 Cb 0.33 -4.70 -0.07 0.00 0.45 0.00 0.00 32.46 28.48 1ba4 n ARG 5 CO 0.00 0.00 0.00 1.58 -2.51 0.00 0.00 177.63 176.70 1ba4 n HIS 6 N -0.17 1.33 -0.66 -0.14 -0.00 -1.26 -4.96 115.22 109.36 1ba4 n HIS 6 Ca 0.07 -1.87 -0.29 0.00 0.46 0.00 0.00 57.72 56.10 1ba4 n HIS 6 Cb 0.29 -1.37 0.25 0.00 -0.12 0.00 0.00 29.99 29.04 1ba4 n HIS 6 CO 0.00 0.00 0.00 0.16 0.46 0.00 0.00 176.34 176.96 1ba4 s ASP 7 N 0.60 0.43 -1.46 0.26 -4.77 -1.26 -4.02 116.67 106.45 1ba4 s ASP 7 Ca 0.57 1.08 -0.08 0.00 -3.30 0.00 0.00 52.55 50.82 1ba4 s ASP 7 Cb 0.36 -1.63 0.03 0.00 -1.09 0.00 0.00 42.92 40.59 1ba4 s ASP 7 CO -0.17 -4.48 0.83 -0.24 0.70 0.00 0.00 175.17 171.82 1ba4 n SER 8 N -5.06 -5.71 -0.33 2.11 2.88 -1.26 -4.87 113.62 101.38 1ba4 n SER 8 Ca 0.08 -0.46 0.00 0.00 -1.33 0.00 0.00 58.87 57.16 1ba4 n SER 8 Cb 0.58 -4.57 0.14 0.00 -0.75 0.00 0.00 64.21 59.60 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 -1.86 1.35 1.68 0.46 0.00 -2.01 -0.48 103.07 102.21 1ba4 h GLY 9 Ca -0.54 -0.43 -0.08 0.00 0.00 0.00 0.00 47.33 46.28 1ba4 h GLY 9 CO 0.58 0.34 -0.21 -1.82 0.00 0.00 0.00 176.54 175.43 1ba4 h TYR 10 N 1.09 0.42 -4.45 5.60 3.20 -1.94 -3.48 116.97 117.41 1ba4 h TYR 10 Ca 0.38 -0.07 0.00 0.00 3.14 0.00 0.00 58.73 62.18 1ba4 h TYR 10 Cb 0.09 -0.11 -0.03 0.00 1.54 0.00 0.00 36.73 38.22 1ba4 h TYR 10 CO -0.02 0.57 -1.01 -1.91 -1.64 0.00 0.00 178.16 174.16 1ba4 n GLU 11 N -4.17 -4.36 -0.38 1.82 2.13 -0.19 -5.04 120.64 110.45 1ba4 n GLU 11 Ca -0.00 3.26 -0.06 0.00 0.66 0.00 0.00 57.16 61.01 1ba4 n GLU 11 Cb 0.36 -4.27 0.05 0.00 0.27 0.00 0.00 31.44 27.85 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 1.55 0.00 0.00 6.31 0.24 -1.26 -5.04 118.33 120.14 1ba4 n VAL 12 Ca -0.11 -0.19 0.00 0.00 -2.04 0.00 0.00 64.34 62.00 1ba4 n VAL 12 Cb 0.17 -1.74 0.00 0.00 -1.47 0.00 0.00 33.84 30.80 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 -2.51 0.00 -1.51 6.34 8.25 -1.26 -4.81 115.22 119.71 1ba4 n HIS 13 Ca 0.04 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.50 1ba4 n HIS 13 Cb 0.13 -0.31 0.00 0.00 1.12 0.00 0.00 29.99 30.93 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 -1.42 0.00 -0.22 4.41 -0.00 -1.26 -4.92 115.22 111.81 1ba4 n HIS 14 Ca 0.00 0.00 0.03 0.00 -0.00 0.00 0.00 57.72 57.75 1ba4 n HIS 14 Cb 0.00 0.07 0.14 0.00 -0.00 0.00 0.00 29.99 30.20 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 0.00 0.31 -0.08 -0.41 4.20 -1.99 -0.48 115.11 116.66 1ba4 h GLN 15 Ca 0.00 -0.02 0.04 0.00 0.06 0.00 0.00 58.65 58.73 1ba4 h GLN 15 Cb 1.03 -0.07 -0.06 0.00 0.30 0.00 0.00 27.48 28.68 1ba4 h GLN 15 CO 0.00 0.21 -0.42 0.87 -0.67 0.00 0.00 178.83 178.81 1ba4 h LYS 16 N 0.32 -0.51 -0.59 1.46 1.79 -1.94 -1.38 116.57 115.72 1ba4 h LYS 16 Ca 0.36 0.03 -0.07 0.00 -2.18 0.00 0.00 60.65 58.80 1ba4 h LYS 16 Cb 0.55 0.12 -0.03 0.00 -1.58 0.00 0.00 32.23 31.29 1ba4 h LYS 16 CO -0.42 -0.34 0.10 1.37 -1.08 0.00 0.00 179.45 179.09 1ba4 h LEU 17 N -0.53 0.90 -0.21 2.94 8.10 -1.80 -2.60 115.31 122.11 1ba4 h LEU 17 Ca 0.06 -0.20 0.06 0.00 0.11 0.00 0.00 57.88 57.91 1ba4 h LEU 17 Cb 0.64 -0.24 -0.06 0.00 -0.44 0.00 0.00 40.66 40.56 1ba4 h LEU 17 CO -0.37 0.91 -0.19 0.58 -4.11 0.00 0.00 178.44 175.26 1ba4 h VAL 18 N 0.90 0.50 -0.15 0.15 2.07 -0.33 0.17 116.25 119.57 1ba4 h VAL 18 Ca 0.19 0.00 0.04 0.00 0.82 0.00 0.00 66.70 67.74 1ba4 h VAL 18 Cb 0.39 0.50 -0.04 0.00 -1.52 0.00 0.00 31.29 30.62 1ba4 h VAL 18 CO 0.01 0.00 -0.09 -0.26 0.02 0.00 0.00 177.57 177.24 1ba4 h PHE 19 N -0.20 -0.23 0.01 1.57 0.04 -1.11 -1.44 116.94 115.59 1ba4 h PHE 19 Ca 0.13 0.02 0.03 0.00 2.80 0.00 0.00 57.97 60.94 1ba4 h PHE 19 Cb 0.38 0.12 -0.05 0.00 2.20 0.00 0.00 35.95 38.61 1ba4 h PHE 19 CO -0.33 -0.15 -0.31 0.35 -0.60 0.00 0.00 178.31 177.27 1ba4 h PHE 20 N -0.09 -0.85 -0.62 -0.55 3.57 -1.00 -1.91 116.94 115.48 1ba4 h PHE 20 Ca 0.09 0.03 0.12 0.00 3.53 0.00 0.00 57.97 61.73 1ba4 h PHE 20 Cb 0.23 0.38 -0.09 0.00 2.79 0.00 0.00 35.95 39.25 1ba4 h PHE 20 CO -0.23 -0.41 0.16 0.00 -2.23 0.00 0.00 178.31 175.60 1ba4 h ALA 21 N 0.26 0.77 0.15 2.41 0.00 -0.32 -1.26 119.26 121.27 1ba4 h ALA 21 Ca 0.06 0.13 0.01 0.00 0.00 0.00 0.00 54.91 55.10 1ba4 h ALA 21 Cb 0.55 0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.48 1ba4 h ALA 21 CO -0.25 -0.29 -0.17 1.49 0.00 0.00 0.00 179.25 180.03 1ba4 h GLU 22 N 0.29 -0.35 -0.50 0.00 4.22 -0.79 0.12 114.58 117.58 1ba4 h GLU 22 Ca 0.33 0.02 0.10 0.00 0.08 0.00 0.00 59.36 59.89 1ba4 h GLU 22 Cb 0.49 0.08 -0.10 0.00 0.50 0.00 0.00 28.75 29.72 1ba4 h GLU 22 CO -0.40 -0.23 -0.29 0.22 -2.18 0.00 0.00 179.01 176.13 1ba4 h ASP 23 N -0.36 -0.98 0.00 1.04 3.58 -0.57 -1.55 116.42 117.59 1ba4 h ASP 23 Ca 0.01 0.20 0.03 0.00 0.42 0.00 0.00 57.03 57.68 1ba4 h ASP 23 Cb 0.35 0.49 -0.04 0.00 1.72 0.00 0.00 39.33 41.86 1ba4 h ASP 23 CO -0.06 -0.29 -0.20 0.58 -2.88 0.00 0.00 179.24 176.39 1ba4 h VAL 24 N -0.17 0.52 -0.78 2.25 2.07 -0.93 0.22 116.25 119.43 1ba4 h VAL 24 Ca 0.22 0.00 0.17 0.00 0.82 0.00 0.00 66.70 67.90 1ba4 h VAL 24 Cb 0.52 0.52 -0.14 0.00 -1.52 0.00 0.00 31.29 30.67 1ba4 h VAL 24 CO -0.60 0.00 -0.13 1.23 0.02 0.00 0.00 177.57 178.10 1ba4 h GLY 25 N -0.33 0.67 0.23 2.17 0.00 0.22 0.63 103.07 106.67 1ba4 h GLY 25 Ca 0.06 0.21 -0.01 0.00 0.00 0.00 0.00 47.33 47.58 1ba4 h GLY 25 CO -0.19 -0.30 -0.11 0.23 0.00 0.00 0.00 176.54 176.17 1ba4 h SER 26 N 0.03 -0.27 0.00 0.19 0.87 -1.03 -2.85 113.55 110.49 1ba4 h SER 26 Ca 0.39 0.01 0.00 0.00 -1.23 0.00 0.00 61.79 60.96 1ba4 h SER 26 Cb 0.65 0.07 0.00 0.00 -0.44 0.00 0.00 62.40 62.67 1ba4 h SER 26 CO -0.76 -0.07 0.00 0.59 -0.53 0.00 0.00 176.83 176.06 1ba4 n ASN 27 N -3.51 0.00 -0.33 6.23 3.02 0.03 -1.78 115.26 118.92 1ba4 n ASN 27 Ca -0.04 0.77 0.25 0.00 -0.03 0.00 0.00 54.58 55.52 1ba4 n ASN 27 Cb 0.12 -0.31 0.53 0.00 -0.61 0.00 0.00 39.78 39.52 1ba4 n ASN 27 CO 0.00 0.00 0.00 0.50 -2.62 0.00 0.00 177.26 175.14 1ba4 h LYS 28 N 0.00 0.34 0.64 3.52 3.64 0.04 -0.24 116.57 124.50 1ba4 h LYS 28 Ca 0.00 -0.02 -0.02 0.00 -1.27 0.00 0.00 60.65 59.34 1ba4 h LYS 28 Cb 0.00 -0.08 -0.01 0.00 -0.41 0.00 0.00 32.23 31.73 1ba4 h LYS 28 CO 0.00 0.22 -0.48 0.78 -2.27 0.00 0.00 179.45 177.71 1ba4 h GLY 29 N 0.35 -1.24 0.85 5.01 0.00 -1.04 0.60 103.07 107.60 1ba4 h GLY 29 Ca 0.61 0.54 0.03 0.00 0.00 0.00 0.00 47.33 48.52 1ba4 h GLY 29 CO -0.30 -0.40 0.49 0.00 0.00 0.00 0.00 176.54 176.33 1ba4 h ALA 30 N -0.93 1.03 0.19 3.60 0.00 -0.28 -1.95 119.26 120.92 1ba4 h ALA 30 Ca -0.08 -0.03 0.01 0.00 0.00 0.00 0.00 54.91 54.82 1ba4 h ALA 30 Cb 0.89 -0.25 -0.04 0.00 0.00 0.00 0.00 17.79 18.40 1ba4 h ALA 30 CO 0.03 0.29 -0.35 0.82 0.00 0.00 0.00 179.25 180.04 1ba4 h ILE 31 N 0.95 0.27 -0.58 0.00 2.04 -0.87 -0.83 117.51 118.50 1ba4 h ILE 31 Ca 0.32 0.00 0.07 0.00 1.00 0.00 0.00 64.86 66.25 1ba4 h ILE 31 Cb 0.03 0.27 -0.06 0.00 -0.74 0.00 0.00 36.82 36.32 1ba4 h ILE 31 CO -0.12 0.00 0.25 0.40 0.00 0.00 0.00 178.15 178.68 1ba4 h ILE 32 N -0.62 0.85 -0.21 -0.67 2.04 -0.62 -1.06 117.51 117.21 1ba4 h ILE 32 Ca 0.01 -0.16 0.05 0.00 1.00 0.00 0.00 64.86 65.77 1ba4 h ILE 32 Cb 0.62 0.35 -0.06 0.00 -0.74 0.00 0.00 36.82 37.00 1ba4 h ILE 32 CO -0.16 0.08 -0.15 1.23 0.00 0.00 0.00 178.15 179.15 1ba4 h GLY 33 N 0.46 0.00 1.14 5.37 0.00 -0.65 0.07 103.07 109.46 1ba4 h GLY 33 Ca 0.28 0.18 -0.08 0.00 0.00 0.00 0.00 47.33 47.71 1ba4 h GLY 33 CO -0.24 -0.15 0.09 0.17 0.00 0.00 0.00 176.54 176.40 1ba4 h LEU 34 N -0.14 1.01 -0.30 3.11 8.10 -0.64 -1.28 115.31 125.16 1ba4 h LEU 34 Ca 0.12 -0.24 0.03 0.00 0.11 0.00 0.00 57.88 57.90 1ba4 h LEU 34 Cb 0.33 -0.27 -0.03 0.00 -0.44 0.00 0.00 40.66 40.25 1ba4 h LEU 34 CO -0.30 1.01 0.11 -0.03 -4.11 0.00 0.00 178.44 175.12 1ba4 h MET 35 N 0.98 0.24 0.47 0.17 4.05 -0.57 -2.86 114.93 117.40 1ba4 h MET 35 Ca 0.19 -0.01 -0.02 0.00 -0.28 0.00 0.00 59.70 59.58 1ba4 h MET 35 Cb 0.44 -0.05 -0.00 0.00 -0.80 0.00 0.00 31.60 31.19 1ba4 h MET 35 CO 0.01 0.16 -0.27 0.28 0.23 0.00 0.00 176.91 177.32 1ba4 h VAL 36 N 0.24 0.44 0.00 -5.77 2.07 -0.80 -3.45 116.25 108.98 1ba4 h VAL 36 Ca 0.13 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.65 1ba4 h VAL 36 Cb 0.10 0.44 0.00 0.00 -1.52 0.00 0.00 31.29 30.31 1ba4 h VAL 36 CO -0.13 0.00 0.00 0.61 0.02 0.00 0.00 177.57 178.07 1ba4 n GLY 37 N -1.41 0.00 0.34 2.17 0.00 -0.57 -4.95 105.19 100.77 1ba4 n GLY 37 Ca -0.11 0.00 0.05 0.00 0.00 0.00 0.00 46.02 45.95 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 0.88 -4.55 -0.02 0.00 -1.14 -1.93 103.07 96.31 1ba4 h GLY 38 Ca 0.00 -0.30 -0.52 0.00 0.00 0.00 0.00 47.33 46.51 1ba4 h GLY 38 CO 0.00 0.26 -0.85 -0.62 0.00 0.00 0.00 176.54 175.32 1ba4 n VAL 39 N -4.46 2.07 -0.65 4.60 0.31 -1.26 -5.00 118.33 113.93 1ba4 n VAL 39 Ca 0.08 -4.37 0.00 0.00 -0.01 0.00 0.00 64.34 60.04 1ba4 n VAL 39 Cb 0.14 -0.75 0.00 0.00 -0.91 0.00 0.00 33.84 32.33 1ba4 n VAL 39 CO 0.00 0.00 0.00 0.52 -1.32 0.00 0.00 176.83 176.03