#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ce4 n THR 2 N 0.00 0.00 -1.84 0.00 5.66 -1.26 -2.55 114.28 114.29 1ce4 n THR 2 Ca 0.00 0.00 -0.35 0.00 -3.05 0.00 0.00 64.05 60.65 1ce4 n THR 2 Cb 0.00 0.00 0.04 0.00 -1.55 0.00 0.00 70.33 68.82 1ce4 n THR 2 CO 0.00 0.00 0.00 -1.14 -3.05 0.00 0.00 175.07 170.88 1ce4 n ARG 3 N 0.00 2.93 0.07 1.09 0.00 -1.26 -4.64 116.66 114.86 1ce4 n ARG 3 Ca 0.00 -3.67 -0.14 0.00 -0.00 0.00 0.00 57.85 54.04 1ce4 n ARG 3 Cb 0.00 -2.27 -0.06 0.00 0.00 0.00 0.00 32.46 30.13 1ce4 n ARG 3 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.63 176.63 1ce4 h PRO 4 N 2.54 0.40 -2.83 -0.14 0.13 -2.03 -3.28 132.00 126.79 1ce4 h PRO 4 Ca 0.52 -0.46 -0.08 0.00 -0.87 0.00 0.00 66.00 65.11 1ce4 h PRO 4 Cb 0.56 0.14 -0.02 0.00 0.13 0.00 0.00 31.00 31.81 1ce4 h PRO 4 CO 1.32 1.13 0.47 0.27 -0.23 0.00 0.00 178.00 180.97 1ce4 n ASN 5 N -3.72 1.83 0.00 1.44 2.04 -1.26 -4.87 115.26 110.72 1ce4 n ASN 5 Ca -0.07 -1.87 0.00 0.00 -0.44 0.00 0.00 54.58 52.20 1ce4 n ASN 5 Cb 0.86 -0.51 0.00 0.00 -2.53 0.00 0.00 39.78 37.60 1ce4 n ASN 5 CO 0.00 0.00 0.00 0.59 -0.44 0.00 0.00 177.26 177.41 1ce4 n ASN 6 N 3.10 0.00 0.00 0.53 5.03 -1.24 -0.03 115.26 122.65 1ce4 n ASN 6 Ca 0.15 0.00 0.00 0.00 0.87 0.00 0.00 54.58 55.60 1ce4 n ASN 6 Cb 0.26 0.00 0.00 0.00 -1.02 0.00 0.00 39.78 39.02 1ce4 n ASN 6 CO 0.00 0.00 0.00 -0.46 -1.83 0.00 0.00 177.26 174.97 1ce4 n ASN 7 N -0.63 0.26 -3.58 6.41 6.94 -1.26 -5.09 115.26 118.31 1ce4 n ASN 7 Ca 0.00 -0.23 -0.32 0.00 -0.02 0.00 0.00 54.58 54.01 1ce4 n ASN 7 Cb 0.28 0.52 0.02 0.00 -2.36 0.00 0.00 39.78 38.24 1ce4 n ASN 7 CO 0.00 0.00 0.00 1.07 -1.03 0.00 0.00 177.26 177.30 1ce4 n THR 8 N -0.54 -4.10 0.00 5.53 5.66 0.95 -5.00 114.28 116.78 1ce4 n THR 8 Ca 0.00 0.07 0.00 0.00 -3.05 0.00 0.00 64.05 61.07 1ce4 n THR 8 Cb 0.00 -3.53 0.00 0.00 -1.55 0.00 0.00 70.33 65.25 1ce4 n THR 8 CO 0.00 0.00 0.00 -2.11 -3.05 0.00 0.00 175.07 169.91 1ce4 n ARG 9 N -1.12 0.00 -2.36 1.09 1.85 -1.26 -4.88 116.66 109.97 1ce4 n ARG 9 Ca -0.17 0.00 -0.07 0.00 -1.00 0.00 0.00 57.85 56.61 1ce4 n ARG 9 Cb 0.68 -0.24 -0.01 0.00 -1.05 0.00 0.00 32.46 31.83 1ce4 n ARG 9 CO 0.00 0.00 0.00 1.63 -0.01 0.00 0.00 177.63 179.25 1ce4 n LYS 10 N -0.06 -2.06 -2.66 2.89 4.76 -1.26 -4.59 118.16 115.18 1ce4 n LYS 10 Ca 0.00 0.02 -0.03 0.00 -2.87 0.00 0.00 58.31 55.43 1ce4 n LYS 10 Cb 0.00 -3.29 0.11 0.00 -1.84 0.00 0.00 35.03 30.01 1ce4 n LYS 10 CO 0.00 0.00 0.00 0.43 -1.37 0.00 0.00 177.40 176.46 1ce4 n SER 11 N -1.20 -1.19 -0.26 4.39 7.64 -1.26 -5.08 113.62 116.67 1ce4 n SER 11 Ca 0.02 -1.80 -0.11 0.00 1.01 0.00 0.00 58.87 57.99 1ce4 n SER 11 Cb 0.35 1.13 -0.08 0.00 -1.01 0.00 0.00 64.21 64.60 1ce4 n SER 11 CO 0.00 0.00 0.00 0.40 -3.01 0.00 0.00 175.04 172.43 1ce4 h ILE 12 N 0.42 0.02 -0.54 0.44 2.04 -1.99 0.80 117.51 118.69 1ce4 h ILE 12 Ca -0.34 0.00 0.08 0.00 1.00 0.00 0.00 64.86 65.60 1ce4 h ILE 12 Cb 1.22 0.02 -0.10 0.00 -0.74 0.00 0.00 36.82 37.22 1ce4 h ILE 12 CO -0.02 0.00 -0.47 1.12 0.00 0.00 0.00 178.15 178.78 1ce4 h HIS 13 N -0.21 -1.41 -0.36 1.37 2.07 -1.98 -2.50 115.15 112.13 1ce4 h HIS 13 Ca 0.14 0.08 -0.02 0.00 -2.85 0.00 0.00 60.37 57.72 1ce4 h HIS 13 Cb 0.53 0.69 -0.02 0.00 2.57 0.00 0.00 27.41 31.18 1ce4 h HIS 13 CO -0.83 -0.44 0.14 0.82 -3.07 0.00 0.00 177.93 174.55 1ce4 h ILE 14 N -0.27 1.19 0.00 6.12 2.04 -1.89 -3.39 117.51 121.32 1ce4 h ILE 14 Ca 0.15 -0.60 0.00 0.00 1.00 0.00 0.00 64.86 65.41 1ce4 h ILE 14 Cb 0.57 0.92 0.00 0.00 -0.74 0.00 0.00 36.82 37.56 1ce4 h ILE 14 CO -0.67 0.21 0.00 0.61 0.00 0.00 0.00 178.15 178.31 1ce4 n GLY 15 N -0.73 0.00 0.35 5.37 0.00 0.25 -0.92 105.19 109.51 1ce4 n GLY 15 Ca -0.01 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.05 1ce4 n GLY 15 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1ce4 n PRO 16 N -1.00 -0.13 -0.09 1.61 -0.04 -1.26 -1.93 135.00 132.14 1ce4 n PRO 16 Ca 0.00 1.49 -0.14 0.00 -0.04 0.00 0.00 63.50 64.81 1ce4 n PRO 16 Cb 0.00 -2.23 -0.04 0.00 -0.04 0.00 0.00 33.50 31.20 1ce4 n PRO 16 CO 0.00 0.00 0.00 0.78 -0.04 0.00 0.00 175.50 176.24 1ce4 h GLY 17 N 0.00 0.98 0.00 0.55 0.00 -1.35 -3.47 103.07 99.77 1ce4 h GLY 17 Ca 0.42 -1.09 0.00 0.00 0.00 0.00 0.00 47.33 46.66 1ce4 h GLY 17 CO -0.98 0.98 0.00 -2.13 0.00 0.00 0.00 176.54 174.41 1ce4 n ARG 18 N -4.04 0.00 0.00 4.80 3.00 -0.81 -4.66 116.66 114.95 1ce4 n ARG 18 Ca -0.04 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.81 1ce4 n ARG 18 Cb 0.60 0.00 0.00 0.00 0.00 0.00 0.00 32.46 33.06 1ce4 n ARG 18 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1ce4 n ALA 19 N 0.00 2.29 -2.12 5.13 0.00 -1.26 -1.07 120.51 123.48 1ce4 n ALA 19 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 53.44 53.43 1ce4 n ALA 19 Cb 0.00 -1.00 -0.01 0.00 0.00 0.00 0.00 19.45 18.44 1ce4 n ALA 19 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 177.50 179.47 1ce4 n PHE 20 N 0.47 0.00 0.00 0.00 -1.74 -1.26 -5.01 117.46 109.92 1ce4 n PHE 20 Ca 0.00 -0.25 0.00 0.00 -0.56 0.00 0.00 57.45 56.64 1ce4 n PHE 20 Cb 0.36 0.15 0.00 0.00 1.52 0.00 0.00 39.48 41.51 1ce4 n PHE 20 CO 0.00 0.00 0.00 0.66 -0.56 0.00 0.00 176.76 176.86 1ce4 n TYR 21 N 0.12 0.00 -0.70 2.97 4.02 -0.23 -4.82 117.16 118.52 1ce4 n TYR 21 Ca -0.06 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.83 1ce4 n TYR 21 Cb 0.76 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 40.08 1ce4 n TYR 21 CO 0.00 0.00 0.00 0.25 -1.01 0.00 0.00 176.86 176.10 1ce4 n THR 22 N -0.59 -3.71 0.07 -0.72 -2.24 -1.26 -4.45 114.28 101.38 1ce4 n THR 22 Ca 0.00 0.74 -0.14 0.00 -2.27 0.00 0.00 64.05 62.38 1ce4 n THR 22 Cb 0.20 -2.34 -0.07 0.00 -2.10 0.00 0.00 70.33 66.01 1ce4 n THR 22 CO 0.00 0.00 0.00 0.71 -0.57 0.00 0.00 175.07 175.21 1ce4 h THR 23 N 0.90 0.12 -0.73 4.28 1.35 -1.99 0.26 112.91 117.09 1ce4 h THR 23 Ca 0.00 0.00 0.29 0.00 -0.55 0.00 0.00 66.41 66.15 1ce4 h THR 23 Cb 0.00 0.12 -0.13 0.00 -1.73 0.00 0.00 68.15 66.41 1ce4 h THR 23 CO 0.00 0.00 0.33 0.61 -0.25 0.00 0.00 175.52 176.21 1ce4 n GLY 24 N -1.46 -0.62 0.15 5.82 0.00 -1.26 -0.36 105.19 107.45 1ce4 n GLY 24 Ca -0.06 0.61 -0.04 0.00 0.00 0.00 0.00 46.02 46.53 1ce4 n GLY 24 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1ce4 h GLU 25 N 0.00 -0.28 -0.40 1.61 4.81 -0.71 0.22 114.58 119.84 1ce4 h GLU 25 Ca 0.59 0.02 0.07 0.00 -0.13 0.00 0.00 59.36 59.91 1ce4 h GLU 25 Cb 1.53 0.06 -0.06 0.00 0.63 0.00 0.00 28.75 30.91 1ce4 h GLU 25 CO -0.59 -0.18 0.05 -0.84 -0.73 0.00 0.00 179.01 176.72 1ce4 h ILE 26 N -0.94 0.75 -0.24 2.32 3.07 -0.95 0.24 117.51 121.76 1ce4 h ILE 26 Ca -0.03 -0.06 -0.15 0.00 1.55 0.00 0.00 64.86 66.17 1ce4 h ILE 26 Cb 0.22 0.57 0.00 0.00 -0.27 0.00 0.00 36.82 37.34 1ce4 h ILE 26 CO 0.05 0.03 -0.44 0.40 -1.05 0.00 0.00 178.15 177.14 1ce4 h ILE 27 N 0.17 1.30 -0.66 0.16 5.03 -0.87 -1.47 117.51 121.16 1ce4 h ILE 27 Ca 0.20 -1.64 0.14 0.00 -0.12 0.00 0.00 64.86 63.43 1ce4 h ILE 27 Cb 0.26 1.75 -0.11 0.00 -3.03 0.00 0.00 36.82 35.68 1ce4 h ILE 27 CO -0.28 0.52 0.05 1.23 -0.68 0.00 0.00 178.15 178.99 1ce4 h GLY 28 N 0.45 0.77 0.89 5.37 0.00 -0.23 0.19 103.07 110.50 1ce4 h GLY 28 Ca 0.01 0.05 0.02 0.00 0.00 0.00 0.00 47.33 47.41 1ce4 h GLY 28 CO 0.10 -0.21 0.12 -1.80 0.00 0.00 0.00 176.54 174.75 1ce4 h ASP 29 N 0.16 0.18 -0.49 0.19 1.82 -0.42 0.90 116.42 118.75 1ce4 h ASP 29 Ca 0.36 0.01 0.09 0.00 -0.39 0.00 0.00 57.03 57.10 1ce4 h ASP 29 Cb 0.59 -0.02 -0.08 0.00 0.68 0.00 0.00 39.33 40.50 1ce4 h ASP 29 CO -0.54 0.14 0.04 0.40 -1.61 0.00 0.00 179.24 177.67 1ce4 h ILE 30 N 0.26 0.65 -0.41 2.25 2.04 -0.37 0.40 117.51 122.33 1ce4 h ILE 30 Ca 0.10 -0.05 0.07 0.00 1.00 0.00 0.00 64.86 65.97 1ce4 h ILE 30 Cb 0.03 0.48 -0.06 0.00 -0.74 0.00 0.00 36.82 36.54 1ce4 h ILE 30 CO -0.07 0.03 0.08 0.03 0.00 0.00 0.00 178.15 178.22 1ce4 h ARG 31 N 0.16 0.20 -0.70 2.37 2.47 -0.08 -1.37 114.38 117.42 1ce4 h ARG 31 Ca 0.25 -0.01 0.13 0.00 -1.26 0.00 0.00 59.98 59.09 1ce4 h ARG 31 Cb 0.36 -0.05 -0.13 0.00 -1.65 0.00 0.00 29.97 28.50 1ce4 h ARG 31 CO -0.38 0.13 -0.24 0.37 0.56 0.00 0.00 179.97 180.42 1ce4 h GLN 32 N 0.21 -0.05 -1.38 0.04 4.15 -0.29 -3.24 115.11 114.54 1ce4 h GLN 32 Ca 0.20 0.00 -0.11 0.00 0.77 0.00 0.00 58.65 59.51 1ce4 h GLN 32 Cb 0.25 0.01 -0.05 0.00 0.21 0.00 0.00 27.48 27.89 1ce4 h GLN 32 CO -0.27 -0.03 0.14 0.00 -1.93 0.00 0.00 178.83 176.74 1ce4 n ALA 33 N -3.21 3.71 -0.66 3.38 0.00 0.08 -1.02 120.51 122.79 1ce4 n ALA 33 Ca 0.08 -0.58 0.07 0.00 0.00 0.00 0.00 53.44 53.02 1ce4 n ALA 33 Cb 0.37 -1.11 0.22 0.00 0.00 0.00 0.00 19.45 18.93 1ce4 n ALA 33 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1ce4 n HIS 34 N 0.60 0.78 0.00 0.00 8.25 -1.22 -4.78 115.22 118.84 1ce4 n HIS 34 Ca 0.11 -0.72 0.00 0.00 -0.26 0.00 0.00 57.72 56.85 1ce4 n HIS 34 Cb 0.63 -0.20 0.00 0.00 1.12 0.00 0.00 29.99 31.54 1ce4 n HIS 34 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98