#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 -1.80 0.00 5.66 -1.26 -4.71 114.28 112.17 1ce4 n THR 2 Ca 0.00 -1.14 -0.42 0.00 -3.05 0.00 0.00 64.05 59.44 1ce4 n THR 2 Cb 0.00 0.46 -0.02 0.00 -1.55 0.00 0.00 70.33 69.22 1ce4 n THR 2 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1ce4 s ARG 3 N -2.71 4.14 0.00 1.09 3.03 -1.26 -4.86 118.95 118.39 1ce4 s ARG 3 Ca 0.13 2.54 0.00 0.00 2.03 0.00 0.00 55.73 60.43 1ce4 s ARG 3 Cb 0.01 -3.06 0.00 0.00 -1.03 0.00 0.00 34.95 30.87 1ce4 s ARG 3 CO 0.09 -0.65 0.47 -0.35 -1.13 0.00 0.00 175.30 173.73 1ce4 n PRO 4 N 2.87 0.00 0.00 3.89 -0.04 -1.26 -4.75 135.00 135.71 1ce4 n PRO 4 Ca 0.11 0.09 0.00 0.00 -0.04 0.00 0.00 63.50 63.66 1ce4 n PRO 4 Cb 0.37 -0.99 0.00 0.00 -0.04 0.00 0.00 33.50 32.84 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 -0.78 0.00 0.00 3.54 2.04 -1.26 -4.80 115.26 114.00 1ce4 n ASN 5 Ca 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 54.58 54.14 1ce4 n ASN 5 Cb 0.00 0.00 0.00 0.00 -2.53 0.00 0.00 39.78 37.25 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 0.00 0.00 -0.00 0.53 3.02 -1.26 -3.83 115.26 113.72 1ce4 n ASN 6 Ca 0.00 0.00 -0.00 0.00 -0.03 0.00 0.00 54.58 54.55 1ce4 n ASN 6 Cb 0.00 -0.99 -0.00 0.00 -0.61 0.00 0.00 39.78 38.18 1ce4 n ASN 6 CO 0.00 0.00 0.00 -0.46 -2.62 0.00 0.00 177.26 174.18 1ce4 n ASN 7 N 0.00 0.13 0.00 6.41 6.94 -1.26 -4.98 115.26 122.50 1ce4 n ASN 7 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 54.58 54.56 1ce4 n ASN 7 Cb 0.00 -0.01 0.00 0.00 -2.36 0.00 0.00 39.78 37.41 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 -3.01 0.00 0.00 5.53 5.66 -1.25 -4.38 114.28 116.84 1ce4 n THR 8 Ca -0.01 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 60.99 1ce4 n THR 8 Cb 0.51 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.29 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 -0.59 0.00 -3.62 1.09 0.00 -1.26 -5.14 116.66 107.13 1ce4 n ARG 9 Ca 0.00 0.00 -0.23 0.00 -0.00 0.00 0.00 57.85 57.62 1ce4 n ARG 9 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 32.46 32.46 1ce4 n ARG 9 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.63 177.78 1ce4 s LYS 10 N 4.12 2.34 -0.44 2.89 3.01 -1.26 -4.91 119.74 125.49 1ce4 s LYS 10 Ca 0.00 -1.81 -0.07 0.00 -1.01 0.00 0.00 55.97 53.08 1ce4 s LYS 10 Cb 0.00 -2.29 0.01 0.00 -1.01 0.00 0.00 37.83 34.54 1ce4 s LYS 10 CO 0.00 -0.55 0.50 0.43 0.51 0.00 0.00 175.35 176.24 1ce4 n SER 11 N -1.80 -6.55 -0.01 2.83 7.64 -1.26 -5.04 113.62 109.43 1ce4 n SER 11 Ca 0.03 0.20 -0.05 0.00 1.01 0.00 0.00 58.87 60.06 1ce4 n SER 11 Cb 0.63 -4.37 -0.02 0.00 -1.01 0.00 0.00 64.21 59.44 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 -0.93 1.08 0.00 0.44 5.41 -1.26 -4.66 119.36 119.44 1ce4 n ILE 12 Ca 0.05 0.19 0.00 0.00 1.00 0.00 0.00 62.75 63.99 1ce4 n ILE 12 Cb 0.42 -1.78 0.00 0.00 -0.71 0.00 0.00 39.64 37.58 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 -3.70 0.00 -0.93 1.39 1.44 -1.26 -4.88 115.22 107.28 1ce4 n HIS 13 Ca -0.09 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.62 1ce4 n HIS 13 Cb 0.31 0.00 0.00 0.00 0.12 0.00 0.00 29.99 30.42 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 0.00 0.00 0.00 0.61 2.08 -1.26 -4.84 119.36 115.95 1ce4 n ILE 14 Ca 0.00 0.00 0.00 0.00 0.56 0.00 0.00 62.75 63.31 1ce4 n ILE 14 Cb 0.00 0.00 0.00 0.00 -0.75 0.00 0.00 39.64 38.89 1ce4 n ILE 14 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 1ce4 n GLY 15 N 0.00 -1.65 0.14 7.39 0.00 -1.26 -4.94 105.19 104.86 1ce4 n GLY 15 Ca 0.00 0.55 -0.11 0.00 0.00 0.00 0.00 46.02 46.46 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 -0.15 -1.81 1.61 0.13 -2.06 -2.83 132.00 126.89 1ce4 h PRO 16 Ca 0.00 0.01 0.00 0.00 -0.87 0.00 0.00 66.00 65.14 1ce4 h PRO 16 Cb 0.00 0.03 0.00 0.00 0.13 0.00 0.00 31.00 31.16 1ce4 h PRO 16 CO 0.00 -0.10 0.00 0.41 -0.23 0.00 0.00 178.00 178.08 1ce4 n GLY 17 N -1.22 1.44 0.34 1.56 0.00 -1.26 -4.36 105.19 101.69 1ce4 n GLY 17 Ca -0.05 0.00 0.23 0.00 0.00 0.00 0.00 46.02 46.19 1ce4 n GLY 17 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 1ce4 h ARG 18 N 1.83 0.00 0.00 1.61 -0.00 -1.83 -0.60 114.38 115.40 1ce4 h ARG 18 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 59.98 59.98 1ce4 h ARG 18 Cb 0.56 0.00 0.00 0.00 -0.00 0.00 0.00 29.97 30.53 1ce4 h ARG 18 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 179.97 179.97 1ce4 n ALA 19 N -2.08 2.22 -2.14 0.08 0.00 -1.26 -3.33 120.51 114.00 1ce4 n ALA 19 Ca -0.03 -0.02 -0.03 0.00 0.00 0.00 0.00 53.44 53.36 1ce4 n ALA 19 Cb 0.08 -1.04 -0.04 0.00 0.00 0.00 0.00 19.45 18.45 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 -0.56 0.00 -0.76 0.00 1.16 -0.24 -4.97 117.46 112.08 1ce4 n PHE 20 Ca 0.02 -0.45 -0.07 0.00 -1.87 0.00 0.00 57.45 55.08 1ce4 n PHE 20 Cb 0.01 0.28 -0.07 0.00 -1.61 0.00 0.00 39.48 38.09 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 0.14 0.12 -0.11 2.97 0.18 -1.14 -4.80 117.16 114.53 1ce4 n TYR 21 Ca -0.16 -1.29 0.00 0.00 1.88 0.00 0.00 57.90 58.33 1ce4 n TYR 21 Cb 0.81 -1.02 0.00 0.00 -0.38 0.00 0.00 39.34 38.75 1ce4 n TYR 21 CO 0.00 0.00 0.00 0.25 -2.08 0.00 0.00 176.86 175.03 1ce4 n THR 22 N 1.86 -1.08 0.09 -3.48 -2.24 -1.26 -4.56 114.28 103.61 1ce4 n THR 22 Ca 0.21 0.00 -0.11 0.00 -2.27 0.00 0.00 64.05 61.88 1ce4 n THR 22 Cb 0.68 -1.08 -0.06 0.00 -2.10 0.00 0.00 70.33 67.77 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 0.00 0.00 -1.71 4.28 1.35 -1.97 0.23 112.91 115.09 1ce4 h THR 23 Ca 0.00 0.00 0.53 0.00 -0.55 0.00 0.00 66.41 66.39 1ce4 h THR 23 Cb 0.00 0.00 -0.11 0.00 -1.73 0.00 0.00 68.15 66.31 1ce4 h THR 23 CO 0.00 0.00 1.18 0.61 -0.25 0.00 0.00 175.52 177.06 1ce4 n GLY 24 N -1.32 -0.93 0.07 5.82 0.00 -1.26 -0.67 105.19 106.90 1ce4 n GLY 24 Ca -0.06 0.73 -0.02 0.00 0.00 0.00 0.00 46.02 46.67 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 -0.11 0.01 1.61 4.81 -0.89 -3.04 114.58 116.98 1ce4 h GLU 25 Ca 0.92 0.01 0.03 0.00 -0.13 0.00 0.00 59.36 60.19 1ce4 h GLU 25 Cb 3.37 0.02 -0.04 0.00 0.63 0.00 0.00 28.75 32.73 1ce4 h GLU 25 CO -0.22 -0.07 -0.25 -0.84 -0.73 0.00 0.00 179.01 176.89 1ce4 h ILE 26 N -0.66 0.42 -0.67 2.32 3.07 -0.27 0.17 117.51 121.89 1ce4 h ILE 26 Ca -0.01 0.00 -0.02 0.00 1.55 0.00 0.00 64.86 66.38 1ce4 h ILE 26 Cb 0.09 0.42 -0.03 0.00 -0.27 0.00 0.00 36.82 37.02 1ce4 h ILE 26 CO 0.02 0.00 0.34 0.40 -1.05 0.00 0.00 178.15 177.85 1ce4 h ILE 27 N -0.40 1.21 0.04 0.16 5.03 -1.13 0.13 117.51 122.56 1ce4 h ILE 27 Ca 0.06 -0.58 0.02 0.00 -0.12 0.00 0.00 64.86 64.24 1ce4 h ILE 27 Cb 0.48 0.34 -0.05 0.00 -3.03 0.00 0.00 36.82 34.56 1ce4 h ILE 27 CO -0.22 0.25 -0.50 1.23 -0.68 0.00 0.00 178.15 178.23 1ce4 h GLY 28 N 1.01 -1.02 0.33 5.37 0.00 -1.14 -0.33 103.07 107.29 1ce4 h GLY 28 Ca 0.23 0.61 0.08 0.00 0.00 0.00 0.00 47.33 48.25 1ce4 h GLY 28 CO -0.03 -0.25 0.05 -1.80 0.00 0.00 0.00 176.54 174.50 1ce4 h ASP 29 N -0.67 -0.09 -0.70 0.19 -0.00 -0.01 0.07 116.42 115.20 1ce4 h ASP 29 Ca 0.02 0.09 0.13 0.00 -0.00 0.00 0.00 57.03 57.27 1ce4 h ASP 29 Cb 0.72 0.15 -0.09 0.00 -0.00 0.00 0.00 39.33 40.11 1ce4 h ASP 29 CO -0.32 -0.01 0.25 0.40 -0.00 0.00 0.00 179.24 179.56 1ce4 h ILE 30 N 0.17 0.67 -0.23 2.25 1.08 -0.56 0.82 117.51 121.71 1ce4 h ILE 30 Ca 0.23 -0.14 -0.06 0.00 -0.39 0.00 0.00 64.86 64.50 1ce4 h ILE 30 Cb 0.32 0.23 -0.01 0.00 -3.07 0.00 0.00 36.82 34.30 1ce4 h ILE 30 CO -0.34 0.07 -0.09 0.03 -0.69 0.00 0.00 178.15 177.13 1ce4 h ARG 31 N 0.40 0.47 -1.01 2.37 3.08 0.66 -2.84 114.38 117.50 1ce4 h ARG 31 Ca 0.38 -0.20 0.24 0.00 0.07 0.00 0.00 59.98 60.47 1ce4 h ARG 31 Cb 0.56 -0.02 -0.11 0.00 0.08 0.00 0.00 29.97 30.48 1ce4 h ARG 31 CO -0.39 0.73 0.62 1.96 -1.07 0.00 0.00 179.97 181.82 1ce4 h GLN 32 N 0.19 0.55 0.00 0.04 4.20 -0.56 -0.42 115.11 119.11 1ce4 h GLN 32 Ca 0.05 -0.03 0.00 0.00 0.06 0.00 0.00 58.65 58.73 1ce4 h GLN 32 Cb 0.58 -0.12 0.00 0.00 0.30 0.00 0.00 27.48 28.23 1ce4 h GLN 32 CO 0.03 0.36 0.00 0.00 -0.67 0.00 0.00 178.83 178.55 1ce4 n ALA 33 N -2.37 2.13 0.60 3.87 0.00 0.24 -2.40 120.51 122.58 1ce4 n ALA 33 Ca 0.25 -0.10 0.10 0.00 0.00 0.00 0.00 53.44 53.69 1ce4 n ALA 33 Cb 0.75 -1.35 0.27 0.00 0.00 0.00 0.00 19.45 19.12 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 -1.26 0.48 1.29 0.00 8.25 -0.17 -5.08 115.22 118.74 1ce4 n HIS 34 Ca 0.11 -0.24 0.10 0.00 -0.26 0.00 0.00 57.72 57.43 1ce4 n HIS 34 Cb 0.16 0.00 0.61 0.00 1.12 0.00 0.00 29.99 31.88 1ce4 n HIS 34 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98