#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 -3.25 0.00 5.66 -1.26 -3.31 114.28 112.11 1ce4 n THR 2 Ca 0.00 0.00 -0.25 0.00 -3.05 0.00 0.00 64.05 60.75 1ce4 n THR 2 Cb 0.00 0.00 -0.07 0.00 -1.55 0.00 0.00 70.33 68.71 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 1.83 0.00 1.09 3.00 -1.26 -4.58 116.66 116.73 1ce4 n ARG 3 Ca 0.00 -4.06 0.00 0.00 -0.00 0.00 0.00 57.85 53.79 1ce4 n ARG 3 Cb 0.00 -1.83 0.00 0.00 0.00 0.00 0.00 32.46 30.63 1ce4 n ARG 3 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.63 177.28 1ce4 n PRO 4 N 0.83 0.00 0.03 -0.14 -0.04 -1.26 -5.08 135.00 129.34 1ce4 n PRO 4 Ca 0.26 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.72 1ce4 n PRO 4 Cb 0.48 -0.07 0.00 0.00 -0.04 0.00 0.00 33.50 33.86 1ce4 n PRO 4 CO 0.00 0.00 0.00 0.27 -0.04 0.00 0.00 175.50 175.73 1ce4 n ASN 5 N -1.16 -0.36 -3.04 3.54 0.23 -1.26 -5.13 115.26 108.07 1ce4 n ASN 5 Ca 0.00 0.12 0.00 0.00 -0.53 0.00 0.00 54.58 54.17 1ce4 n ASN 5 Cb 0.00 0.55 0.00 0.00 -2.08 0.00 0.00 39.78 38.25 1ce4 n ASN 5 CO 0.00 0.00 0.00 -0.46 -0.93 0.00 0.00 177.26 175.87 1ce4 n ASN 6 N -2.67 -0.48 0.00 0.53 0.23 -1.26 -4.54 115.26 107.08 1ce4 n ASN 6 Ca 0.00 -0.23 0.00 0.00 -0.53 0.00 0.00 54.58 53.82 1ce4 n ASN 6 Cb 0.00 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 37.70 1ce4 n ASN 6 CO 0.00 0.00 0.00 -0.46 -0.93 0.00 0.00 177.26 175.87 1ce4 n ASN 7 N -1.40 0.00 0.23 0.53 0.23 -1.26 -3.85 115.26 109.74 1ce4 n ASN 7 Ca 0.00 0.00 0.12 0.00 -0.53 0.00 0.00 54.58 54.17 1ce4 n ASN 7 Cb 0.00 0.00 0.37 0.00 -2.08 0.00 0.00 39.78 38.07 1ce4 n ASN 7 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1ce4 h THR 8 N 0.00 0.26 0.00 5.53 1.03 -1.84 -3.42 112.91 114.47 1ce4 h THR 8 Ca 0.00 -1.06 -0.60 0.00 -0.01 0.00 0.00 66.41 64.74 1ce4 h THR 8 Cb 0.00 1.86 0.02 0.00 -1.07 0.00 0.00 68.15 68.96 1ce4 h THR 8 CO 0.00 0.12 2.82 -2.11 -0.01 0.00 0.00 175.52 176.35 1ce4 n ARG 9 N -3.19 2.32 -3.89 0.00 1.85 -1.25 -4.83 116.66 107.66 1ce4 n ARG 9 Ca 0.02 -1.98 -0.30 0.00 -1.00 0.00 0.00 57.85 54.58 1ce4 n ARG 9 Cb 0.47 -2.87 -0.15 0.00 -1.05 0.00 0.00 32.46 28.86 1ce4 n ARG 9 CO 0.00 0.00 0.00 0.15 -0.01 0.00 0.00 177.63 177.77 1ce4 s LYS 10 N 3.72 1.21 -0.84 2.89 -0.14 -1.26 -4.74 119.74 120.58 1ce4 s LYS 10 Ca 0.52 -1.39 -0.04 0.00 -1.36 0.00 0.00 55.97 53.70 1ce4 s LYS 10 Cb 0.14 -2.62 -0.04 0.00 -1.68 0.00 0.00 37.83 33.63 1ce4 s LYS 10 CO 0.00 -0.89 0.75 0.43 -0.76 0.00 0.00 175.35 174.88 1ce4 n SER 11 N 4.56 -6.34 0.00 2.83 7.64 -1.26 -4.93 113.62 116.12 1ce4 n SER 11 Ca -0.01 -0.46 0.04 0.00 1.01 0.00 0.00 58.87 59.45 1ce4 n SER 11 Cb 0.42 -4.66 0.24 0.00 -1.01 0.00 0.00 64.21 59.21 1ce4 n SER 11 CO 0.00 0.00 0.00 -0.38 -3.01 0.00 0.00 175.04 171.65 1ce4 n ILE 12 N -2.63 0.64 0.00 0.44 5.41 -1.26 -4.67 119.36 117.28 1ce4 n ILE 12 Ca -0.04 0.16 0.00 0.00 1.00 0.00 0.00 62.75 63.86 1ce4 n ILE 12 Cb 0.58 -1.01 0.00 0.00 -0.71 0.00 0.00 39.64 38.50 1ce4 n ILE 12 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1ce4 n HIS 13 N -1.23 0.00 0.00 1.39 1.44 -1.26 -4.01 115.22 111.56 1ce4 n HIS 13 Ca 0.05 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.76 1ce4 n HIS 13 Cb 0.06 -0.11 0.00 0.00 0.12 0.00 0.00 29.99 30.07 1ce4 n HIS 13 CO 0.00 0.00 0.00 -0.89 -2.81 0.00 0.00 176.34 172.64 1ce4 n ILE 14 N -1.45 0.00 0.00 0.61 5.41 -1.26 -5.02 119.36 117.64 1ce4 n ILE 14 Ca 0.00 0.87 0.00 0.00 1.00 0.00 0.00 62.75 64.62 1ce4 n ILE 14 Cb 0.00 -1.75 0.00 0.00 -0.71 0.00 0.00 39.64 37.18 1ce4 n ILE 14 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 1ce4 n GLY 15 N -0.13 1.85 0.14 7.39 0.00 -1.26 -4.78 105.19 108.41 1ce4 n GLY 15 Ca 0.00 -0.73 -0.08 0.00 0.00 0.00 0.00 46.02 45.21 1ce4 n GLY 15 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1ce4 h PRO 16 N 0.00 0.35 -1.65 1.61 0.13 -1.96 -2.79 132.00 127.68 1ce4 h PRO 16 Ca 0.00 -0.02 0.00 0.00 -0.87 0.00 0.00 66.00 65.11 1ce4 h PRO 16 Cb 0.00 -0.08 0.00 0.00 0.13 0.00 0.00 31.00 31.05 1ce4 h PRO 16 CO 0.00 0.23 0.00 0.41 -0.23 0.00 0.00 178.00 178.41 1ce4 n GLY 17 N -1.19 0.71 0.35 1.56 0.00 -1.26 -4.50 105.19 100.86 1ce4 n GLY 17 Ca -0.01 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.07 1ce4 n GLY 17 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 1ce4 h ARG 18 N 1.31 0.00 0.00 1.61 2.43 -1.89 0.32 114.38 118.16 1ce4 h ARG 18 Ca 0.00 -0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 1ce4 h ARG 18 Cb 0.35 -0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.90 1ce4 h ARG 18 CO 0.00 0.00 0.00 0.00 -1.51 0.00 0.00 179.97 178.46 1ce4 n ALA 19 N -3.55 2.17 -1.72 2.80 0.00 -1.26 -1.43 120.51 117.52 1ce4 n ALA 19 Ca 0.16 -0.03 0.00 0.00 0.00 0.00 0.00 53.44 53.57 1ce4 n ALA 19 Cb 0.50 -1.07 0.00 0.00 0.00 0.00 0.00 19.45 18.88 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 -0.61 0.00 -0.53 0.00 1.16 -0.03 -4.97 117.46 112.48 1ce4 n PHE 20 Ca 0.03 0.00 -0.02 0.00 -1.87 0.00 0.00 57.45 55.59 1ce4 n PHE 20 Cb 0.02 0.01 -0.03 0.00 -1.61 0.00 0.00 39.48 37.86 1ce4 n PHE 20 CO 0.00 0.00 0.00 2.48 -1.87 0.00 0.00 176.76 177.37 1ce4 n TYR 21 N 0.00 0.00 -0.39 2.97 4.11 -0.44 -4.78 117.16 118.63 1ce4 n TYR 21 Ca 0.00 -0.97 0.00 0.00 -0.00 0.00 0.00 57.90 56.93 1ce4 n TYR 21 Cb 0.61 -0.69 0.00 0.00 -0.00 0.00 0.00 39.34 39.26 1ce4 n TYR 21 CO 0.00 0.00 0.00 0.25 -0.00 0.00 0.00 176.86 177.11 1ce4 n THR 22 N 1.79 -2.10 0.16 -3.48 -2.24 -1.26 -4.49 114.28 102.66 1ce4 n THR 22 Ca 0.08 0.19 -0.16 0.00 -2.27 0.00 0.00 64.05 61.89 1ce4 n THR 22 Cb 0.52 -1.75 -0.10 0.00 -2.10 0.00 0.00 70.33 66.90 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 0.23 0.00 -0.84 4.28 1.35 -1.97 0.31 112.91 116.27 1ce4 h THR 23 Ca 0.00 0.00 0.35 0.00 -0.55 0.00 0.00 66.41 66.21 1ce4 h THR 23 Cb 0.00 0.00 -0.15 0.00 -1.73 0.00 0.00 68.15 66.27 1ce4 h THR 23 CO 0.00 0.00 0.44 0.61 -0.25 0.00 0.00 175.52 176.32 1ce4 n GLY 24 N -1.49 -0.65 0.16 5.82 0.00 -1.26 -0.53 105.19 107.25 1ce4 n GLY 24 Ca -0.09 0.69 -0.05 0.00 0.00 0.00 0.00 46.02 46.56 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 -0.32 -0.56 1.61 4.81 -0.68 -1.02 114.58 118.42 1ce4 h GLU 25 Ca 0.71 0.02 0.08 0.00 -0.13 0.00 0.00 59.36 60.04 1ce4 h GLU 25 Cb 1.87 0.07 -0.06 0.00 0.63 0.00 0.00 28.75 31.26 1ce4 h GLU 25 CO -0.65 -0.21 0.21 -0.84 -0.73 0.00 0.00 179.01 176.78 1ce4 h ILE 26 N -1.00 0.81 -0.19 2.32 3.07 -0.66 0.34 117.51 122.20 1ce4 h ILE 26 Ca -0.03 -0.14 -0.18 0.00 1.55 0.00 0.00 64.86 66.06 1ce4 h ILE 26 Cb 0.25 0.38 0.00 0.00 -0.27 0.00 0.00 36.82 37.18 1ce4 h ILE 26 CO 0.06 0.07 -0.57 0.40 -1.05 0.00 0.00 178.15 177.06 1ce4 h ILE 27 N 0.39 1.30 -0.61 0.16 5.03 -0.97 0.45 117.51 123.27 1ce4 h ILE 27 Ca 0.28 -1.79 0.12 0.00 -0.12 0.00 0.00 64.86 63.34 1ce4 h ILE 27 Cb 0.31 1.90 -0.09 0.00 -3.03 0.00 0.00 36.82 35.91 1ce4 h ILE 27 CO -0.27 0.57 0.08 1.23 -0.68 0.00 0.00 178.15 179.08 1ce4 h GLY 28 N 0.44 0.74 0.45 5.37 0.00 -0.50 -0.37 103.07 109.21 1ce4 h GLY 28 Ca -0.02 0.01 0.03 0.00 0.00 0.00 0.00 47.33 47.36 1ce4 h GLY 28 CO 0.12 -0.15 -0.24 -1.80 0.00 0.00 0.00 176.54 174.47 1ce4 h ASP 29 N 0.20 -0.71 -0.64 0.19 -0.00 -0.08 0.27 116.42 115.65 1ce4 h ASP 29 Ca 0.32 0.10 0.13 0.00 -0.00 0.00 0.00 57.03 57.58 1ce4 h ASP 29 Cb 0.50 0.29 -0.12 0.00 -0.00 0.00 0.00 39.33 40.01 1ce4 h ASP 29 CO -0.45 -0.31 -0.11 0.40 -0.00 0.00 0.00 179.24 178.76 1ce4 h ILE 30 N -0.38 0.38 -0.49 2.25 1.08 -0.42 0.30 117.51 120.23 1ce4 h ILE 30 Ca 0.06 -0.01 0.03 0.00 -0.39 0.00 0.00 64.86 64.55 1ce4 h ILE 30 Cb 0.46 0.35 -0.04 0.00 -3.07 0.00 0.00 36.82 34.52 1ce4 h ILE 30 CO -0.21 0.01 0.27 0.03 -0.69 0.00 0.00 178.15 177.56 1ce4 h ARG 31 N 0.03 0.52 -0.79 2.37 -0.00 -0.22 -1.26 114.38 115.03 1ce4 h ARG 31 Ca 0.32 -0.03 0.07 0.00 -0.50 0.00 0.00 59.98 59.84 1ce4 h ARG 31 Cb 0.50 -0.12 -0.05 0.00 0.00 0.00 0.00 29.97 30.30 1ce4 h ARG 31 CO -0.63 0.35 0.52 1.96 0.00 0.00 0.00 179.97 182.16 1ce4 h GLN 32 N 0.54 0.81 -0.33 0.04 4.20 0.03 -3.28 115.11 117.13 1ce4 h GLN 32 Ca 0.21 -0.05 0.00 0.00 0.06 0.00 0.00 58.65 58.87 1ce4 h GLN 32 Cb 0.07 -0.18 0.00 0.00 0.30 0.00 0.00 27.48 27.66 1ce4 h GLN 32 CO -0.12 0.54 0.00 0.00 -0.67 0.00 0.00 178.83 178.58 1ce4 n ALA 33 N -2.43 2.04 1.04 3.87 0.00 0.96 -1.44 120.51 124.55 1ce4 n ALA 33 Ca 0.12 0.00 0.11 0.00 0.00 0.00 0.00 53.44 53.67 1ce4 n ALA 33 Cb 0.23 -1.00 0.05 0.00 0.00 0.00 0.00 19.45 18.73 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 -0.14 0.00 0.00 0.00 8.25 -1.24 -4.73 115.22 117.36 1ce4 n HIS 34 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.46 1ce4 n HIS 34 Cb 0.08 -0.02 0.00 0.00 1.12 0.00 0.00 29.99 31.17 1ce4 n HIS 34 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98