#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 -3.35 0.00 5.66 -1.25 -5.00 114.28 110.34 1ce4 n THR 2 Ca 0.00 0.00 -0.46 0.00 -3.05 0.00 0.00 64.05 60.54 1ce4 n THR 2 Cb 0.00 0.00 -0.02 0.00 -1.55 0.00 0.00 70.33 68.76 1ce4 n THR 2 CO 0.00 0.00 0.00 -0.60 -3.05 0.00 0.00 175.07 171.42 1ce4 s ARG 3 N 0.87 3.71 0.00 1.09 3.00 -1.26 -5.01 118.95 121.35 1ce4 s ARG 3 Ca 0.00 -2.66 0.00 0.00 -1.00 0.00 0.00 55.73 52.07 1ce4 s ARG 3 Cb 0.00 -4.43 0.00 0.00 0.00 0.00 0.00 34.95 30.52 1ce4 s ARG 3 CO 0.00 -1.27 0.00 -0.35 0.00 0.00 0.00 175.30 173.68 1ce4 n PRO 4 N 3.62 0.00 0.00 5.12 -0.04 -1.26 -4.77 135.00 137.67 1ce4 n PRO 4 Ca 0.16 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.62 1ce4 n PRO 4 Cb 0.45 -0.02 0.00 0.00 -0.04 0.00 0.00 33.50 33.88 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 0.00 0.00 0.00 3.54 0.23 -1.26 -4.85 115.26 112.92 1ce4 n ASN 5 Ca 0.00 0.00 0.00 0.00 -0.53 0.00 0.00 54.58 54.05 1ce4 n ASN 5 Cb 0.00 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 37.70 1ce4 n ASN 5 CO 0.00 0.00 0.00 0.59 -0.93 0.00 0.00 177.26 176.92 1ce4 n ASN 6 N 2.27 0.00 -0.02 0.53 3.02 -1.26 -3.00 115.26 116.80 1ce4 n ASN 6 Ca 0.00 0.00 -0.02 0.00 -0.03 0.00 0.00 54.58 54.53 1ce4 n ASN 6 Cb 0.00 0.00 -0.01 0.00 -0.61 0.00 0.00 39.78 39.16 1ce4 n ASN 6 CO 0.00 0.00 0.00 -3.20 -2.62 0.00 0.00 177.26 171.44 1ce4 n ASN 7 N 3.35 0.56 0.00 6.41 5.15 -1.26 -4.95 115.26 124.52 1ce4 n ASN 7 Ca 0.00 0.29 0.00 0.00 -0.60 0.00 0.00 54.58 54.27 1ce4 n ASN 7 Cb 0.00 -0.60 0.00 0.00 -0.53 0.00 0.00 39.78 38.65 1ce4 n ASN 7 CO 0.00 0.00 0.00 1.07 1.40 0.00 0.00 177.26 179.73 1ce4 n THR 8 N -3.01 0.00 -1.45 -0.44 5.66 -1.16 -4.82 114.28 109.06 1ce4 n THR 8 Ca -0.03 0.00 -0.35 0.00 -3.05 0.00 0.00 64.05 60.63 1ce4 n THR 8 Cb 0.10 0.00 -0.08 0.00 -1.55 0.00 0.00 70.33 68.81 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 -0.12 1.16 -2.00 1.09 -4.01 -1.26 -4.70 116.66 106.81 1ce4 n ARG 9 Ca 0.00 -1.94 -0.27 0.00 -1.04 0.00 0.00 57.85 54.60 1ce4 n ARG 9 Cb 0.00 -3.28 0.03 0.00 -3.04 0.00 0.00 32.46 26.16 1ce4 n ARG 9 CO 0.00 0.00 0.00 0.36 -3.04 0.00 0.00 177.63 174.95 1ce4 n LYS 10 N 7.76 3.39 -0.66 2.89 2.85 -1.26 -4.90 118.16 128.23 1ce4 n LYS 10 Ca 0.46 -4.07 -0.08 0.00 -1.05 0.00 0.00 58.31 53.57 1ce4 n LYS 10 Cb 0.44 -2.27 0.02 0.00 -0.65 0.00 0.00 35.03 32.56 1ce4 n LYS 10 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 177.40 177.80 1ce4 n SER 11 N -0.69 5.63 0.03 -5.58 2.88 -1.26 -3.80 113.62 110.83 1ce4 n SER 11 Ca 0.46 -2.70 0.11 0.00 -1.33 0.00 0.00 58.87 55.41 1ce4 n SER 11 Cb 0.82 -1.04 -0.07 0.00 -0.75 0.00 0.00 64.21 63.17 1ce4 n SER 11 CO 0.00 0.00 0.00 -0.38 -1.23 0.00 0.00 175.04 173.43 1ce4 n ILE 12 N 0.83 0.23 0.00 2.46 5.41 -1.26 -4.62 119.36 122.41 1ce4 n ILE 12 Ca 0.15 -0.42 0.00 0.00 1.00 0.00 0.00 62.75 63.48 1ce4 n ILE 12 Cb 0.56 0.00 0.00 0.00 -0.71 0.00 0.00 39.64 39.50 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 -2.27 0.00 -1.64 1.39 1.44 -1.25 -4.71 115.22 108.19 1ce4 n HIS 13 Ca -0.01 0.00 -0.40 0.00 -2.01 0.00 0.00 57.72 55.30 1ce4 n HIS 13 Cb 0.52 0.00 -0.02 0.00 0.12 0.00 0.00 29.99 30.61 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 4.37 0.25 0.61 5.41 -1.26 -4.76 119.36 123.98 1ce4 n ILE 14 Ca 0.00 -3.23 -0.10 0.00 1.00 0.00 0.00 62.75 60.42 1ce4 n ILE 14 Cb 0.00 -2.47 -0.05 0.00 -0.71 0.00 0.00 39.64 36.41 1ce4 n ILE 14 CO 0.00 0.00 0.00 1.23 0.00 0.00 0.00 176.55 177.78 1ce4 h GLY 15 N 7.32 -0.76 0.78 7.39 0.00 -1.84 -3.22 103.07 112.73 1ce4 h GLY 15 Ca 0.74 0.30 0.04 0.00 0.00 0.00 0.00 47.33 48.40 1ce4 h GLY 15 CO 1.72 -0.27 0.25 -0.56 0.00 0.00 0.00 176.54 177.68 1ce4 h PRO 16 N -0.66 0.48 -2.12 4.80 0.13 -1.96 -2.99 132.00 129.68 1ce4 h PRO 16 Ca -0.06 -0.03 -0.04 0.00 -0.87 0.00 0.00 66.00 65.00 1ce4 h PRO 16 Cb 0.52 -0.11 -0.01 0.00 0.13 0.00 0.00 31.00 31.52 1ce4 h PRO 16 CO 0.09 0.32 -0.02 0.41 -0.23 0.00 0.00 178.00 178.57 1ce4 n GLY 17 N -1.24 1.90 0.31 1.56 0.00 -1.23 -4.60 105.19 101.89 1ce4 n GLY 17 Ca 0.04 -0.23 0.14 0.00 0.00 0.00 0.00 46.02 45.96 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 2.75 0.32 0.00 1.61 1.12 -1.54 0.16 114.38 118.80 1ce4 h ARG 18 Ca 0.04 -0.02 0.00 0.00 -1.11 0.00 0.00 59.98 58.89 1ce4 h ARG 18 Cb 0.72 -0.07 0.00 0.00 -0.01 0.00 0.00 29.97 30.61 1ce4 h ARG 18 CO 0.10 0.21 0.00 0.00 -3.11 0.00 0.00 179.97 177.17 1ce4 n ALA 19 N -2.54 2.27 -2.40 2.80 0.00 -1.26 -2.36 120.51 117.01 1ce4 n ALA 19 Ca 0.23 -0.06 0.00 0.00 0.00 0.00 0.00 53.44 53.61 1ce4 n ALA 19 Cb 0.69 -1.15 0.00 0.00 0.00 0.00 0.00 19.45 19.00 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 -0.70 0.02 0.00 0.00 -1.74 0.44 -5.02 117.46 110.46 1ce4 n PHE 20 Ca 0.07 -0.75 0.00 0.00 -0.56 0.00 0.00 57.45 56.21 1ce4 n PHE 20 Cb 0.03 0.13 0.00 0.00 1.52 0.00 0.00 39.48 41.16 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 0.00 2.97 4.01 -0.48 -4.84 117.16 118.94 1ce4 n TYR 21 Ca -0.05 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.69 1ce4 n TYR 21 Cb 0.97 -0.03 0.00 0.00 -0.31 0.00 0.00 39.34 39.97 1ce4 n TYR 21 CO 0.00 0.00 0.00 0.25 -0.46 0.00 0.00 176.86 176.65 1ce4 n THR 22 N -0.83 -0.95 0.07 -0.72 -2.24 -1.26 -4.45 114.28 103.90 1ce4 n THR 22 Ca 0.00 0.00 -0.13 0.00 -2.27 0.00 0.00 64.05 61.65 1ce4 n THR 22 Cb 0.25 -0.54 -0.06 0.00 -2.10 0.00 0.00 70.33 67.87 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 0.19 -1.43 4.28 1.35 -1.97 0.32 112.91 115.66 1ce4 h THR 23 Ca 0.00 0.00 0.45 0.00 -0.55 0.00 0.00 66.41 66.31 1ce4 h THR 23 Cb 0.00 0.19 -0.10 0.00 -1.73 0.00 0.00 68.15 66.52 1ce4 h THR 23 CO 0.00 0.00 0.98 0.61 -0.25 0.00 0.00 175.52 176.86 1ce4 n GLY 24 N -1.44 -0.78 0.00 5.82 0.00 -1.26 0.25 105.19 107.77 1ce4 n GLY 24 Ca -0.06 0.63 0.00 0.00 0.00 0.00 0.00 46.02 46.59 1ce4 n GLY 24 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1ce4 n GLU 25 N -4.05 0.00 0.19 1.61 4.07 0.98 -3.65 120.64 119.78 1ce4 n GLU 25 Ca 0.36 0.29 -0.15 0.00 -0.06 0.00 0.00 57.16 57.60 1ce4 n GLU 25 Cb 1.53 -0.79 -0.08 0.00 -0.06 0.00 0.00 31.44 32.05 1ce4 n GLU 25 CO 0.00 0.00 0.00 -0.84 -0.06 0.00 0.00 177.13 176.23 1ce4 h ILE 26 N 0.00 0.70 -0.27 6.31 3.07 -0.39 0.21 117.51 127.13 1ce4 h ILE 26 Ca 0.00 -0.00 -0.18 0.00 1.55 0.00 0.00 64.86 66.23 1ce4 h ILE 26 Cb 0.00 0.70 -0.00 0.00 -0.27 0.00 0.00 36.82 37.25 1ce4 h ILE 26 CO 0.00 0.00 -0.54 0.40 -1.05 0.00 0.00 178.15 176.96 1ce4 h ILE 27 N -0.41 1.28 -0.64 0.16 5.03 -0.42 -1.16 117.51 121.35 1ce4 h ILE 27 Ca -0.04 -1.74 0.14 0.00 -0.12 0.00 0.00 64.86 63.09 1ce4 h ILE 27 Cb 0.32 1.65 -0.11 0.00 -3.03 0.00 0.00 36.82 35.65 1ce4 h ILE 27 CO 0.07 0.56 -0.00 1.23 -0.68 0.00 0.00 178.15 179.33 1ce4 h GLY 28 N 0.77 0.68 0.65 5.37 0.00 -0.57 0.24 103.07 110.22 1ce4 h GLY 28 Ca 0.01 0.09 -0.01 0.00 0.00 0.00 0.00 47.33 47.43 1ce4 h GLY 28 CO 0.12 -0.22 -0.41 -1.80 0.00 0.00 0.00 176.54 174.23 1ce4 h ASP 29 N 0.11 -1.09 -1.00 0.19 1.82 -0.45 -3.10 116.42 112.90 1ce4 h ASP 29 Ca 0.34 0.08 0.23 0.00 -0.39 0.00 0.00 57.03 57.29 1ce4 h ASP 29 Cb 0.55 0.35 -0.10 0.00 0.68 0.00 0.00 39.33 40.82 1ce4 h ASP 29 CO -0.56 -0.58 0.63 0.40 -1.61 0.00 0.00 179.24 177.52 1ce4 h ILE 30 N -0.89 0.62 -0.41 2.25 2.04 -0.36 0.76 117.51 121.52 1ce4 h ILE 30 Ca -0.05 -0.19 0.12 0.00 1.00 0.00 0.00 64.86 65.74 1ce4 h ILE 30 Cb 0.76 0.02 -0.02 0.00 -0.74 0.00 0.00 36.82 36.85 1ce4 h ILE 30 CO -0.02 0.10 0.37 0.03 0.00 0.00 0.00 178.15 178.63 1ce4 h ARG 31 N 0.55 0.00 0.00 2.37 2.47 -0.90 0.15 114.38 119.03 1ce4 h ARG 31 Ca 0.57 0.00 -0.04 0.00 -1.26 0.00 0.00 59.98 59.25 1ce4 h ARG 31 Cb 1.20 0.00 -0.01 0.00 -1.65 0.00 0.00 29.97 29.51 1ce4 h ARG 31 CO -0.33 0.00 -0.21 0.37 0.56 0.00 0.00 179.97 180.36 1ce4 h GLN 32 N 0.00 0.00 -0.01 0.04 4.15 -0.94 -3.33 115.11 115.02 1ce4 h GLN 32 Ca 0.19 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.61 1ce4 h GLN 32 Cb 0.93 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.62 1ce4 h GLN 32 CO -0.00 0.21 -0.30 0.00 -1.93 0.00 0.00 178.83 176.81 1ce4 n ALA 33 N -2.18 3.17 0.95 3.38 0.00 0.54 -3.94 120.51 122.43 1ce4 n ALA 33 Ca 0.02 -0.43 0.03 0.00 0.00 0.00 0.00 53.44 53.06 1ce4 n ALA 33 Cb 0.51 -1.09 0.11 0.00 0.00 0.00 0.00 19.45 18.98 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 -0.65 0.43 1.68 0.00 8.25 -1.24 -5.02 115.22 118.67 1ce4 n HIS 34 Ca 0.11 -0.18 0.15 0.00 -0.26 0.00 0.00 57.72 57.55 1ce4 n HIS 34 Cb 0.36 -0.09 0.68 0.00 1.12 0.00 0.00 29.99 32.06 1ce4 n HIS 34 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98