#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1bbr n PHE 1 N 0.00 2.03 0.00 4.78 3.72 -1.26 -4.33 117.46 122.40 1bbr n PHE 1 Ca 0.00 0.14 0.00 0.00 -0.05 0.00 0.00 57.45 57.54 1bbr n PHE 1 Cb 0.00 -2.60 0.00 0.00 -0.94 0.00 0.00 39.48 35.94 1bbr n PHE 1 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1bbr n GLY 1 N 5.21 2.16 3.18 1.37 0.00 -1.26 -4.78 105.19 111.07 1bbr n GLY 1 Ca 0.30 0.01 -0.22 0.00 0.00 0.00 0.00 46.02 46.11 1bbr n GLY 1 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1bbr s ALA 1 N -1.00 1.38 -0.11 4.61 0.00 -1.26 -5.05 121.76 120.33 1bbr s ALA 1 Ca 0.00 -0.88 0.12 0.00 0.00 0.00 0.00 51.96 51.20 1bbr s ALA 1 Cb 0.00 -0.26 -0.17 0.00 0.00 0.00 0.00 23.12 22.70 1bbr s ALA 1 CO 0.00 0.29 0.09 0.41 0.00 0.00 0.00 175.76 176.55 1bbr n GLY 1 N 2.01 -0.63 0.03 0.00 0.00 -1.26 -4.62 105.19 100.72 1bbr n GLY 1 Ca -0.17 -0.23 0.02 0.00 0.00 0.00 0.00 46.02 45.64 1bbr n GLY 1 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1bbr n GLU 1 N -2.39 0.86 0.00 1.61 2.13 -1.26 -4.98 120.64 116.60 1bbr n GLU 1 Ca -0.18 -0.10 0.00 0.00 0.66 0.00 0.00 57.16 57.54 1bbr n GLU 1 Cb 0.83 -1.40 0.00 0.00 0.27 0.00 0.00 31.44 31.13 1bbr n GLU 1 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1bbr n ALA 1 N -2.28 0.00 0.01 4.31 0.00 -1.26 -4.67 120.51 116.62 1bbr n ALA 1 Ca -0.12 0.00 -0.02 0.00 0.00 0.00 0.00 53.44 53.30 1bbr n ALA 1 Cb 0.66 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 20.00 1bbr n ALA 1 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1bbr n ASP 1 N 1.58 0.79 -4.61 0.00 8.00 -1.26 -4.99 116.55 116.05 1bbr n ASP 1 Ca 0.00 0.35 -0.40 0.00 0.71 0.00 0.00 54.79 55.46 1bbr n ASP 1 Cb 0.00 0.20 0.03 0.00 -0.02 0.00 0.00 41.12 41.33 1bbr n ASP 1 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1bbr n GLY 2 N 1.21 0.43 3.29 0.00 0.00 -1.26 -4.94 105.19 103.93 1bbr n GLY 2 Ca 0.11 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.69 1bbr n GLY 2 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1bbr s LEU 3 N 0.00 5.92 -0.05 0.99 1.43 -1.00 -5.00 118.68 120.96 1bbr s LEU 3 Ca 0.00 -1.74 -0.30 0.00 -1.03 0.00 0.00 54.13 51.06 1bbr s LEU 3 Cb 0.00 -2.14 -0.05 0.00 0.03 0.00 0.00 46.19 44.03 1bbr s LEU 3 CO 0.00 -0.77 1.54 -0.13 0.23 0.00 0.00 176.35 177.23 1bbr s ARG 4 N 1.53 4.21 0.29 1.70 0.52 -1.26 -4.82 118.95 121.12 1bbr s ARG 4 Ca 0.04 2.07 0.01 0.00 -0.52 0.00 0.00 55.73 57.33 1bbr s ARG 4 Cb -0.28 -3.84 0.69 0.00 0.52 0.00 0.00 34.95 32.04 1bbr s ARG 4 CO 0.02 -0.76 1.62 -1.35 0.02 0.00 0.00 175.30 174.85 1bbr h PRO 5 N 8.90 0.13 0.00 3.54 0.11 -1.96 -1.05 132.00 141.67 1bbr h PRO 5 Ca -0.37 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.73 1bbr h PRO 5 Cb 1.17 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.25 1bbr h PRO 5 CO 0.95 0.08 -0.21 -0.07 -0.21 0.00 0.00 178.00 178.54 1bbr h LEU 6 N 0.13 0.00 0.00 2.35 4.07 -1.95 -3.36 115.31 116.54 1bbr h LEU 6 Ca 0.55 -0.05 0.00 0.00 0.08 0.00 0.00 57.88 58.46 1bbr h LEU 6 Cb 1.11 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.85 1bbr h LEU 6 CO -0.73 0.03 0.00 0.49 -1.08 0.00 0.00 178.44 177.15 1bbr n PHE 7 N -2.39 0.00 0.19 1.13 3.01 -0.44 -4.58 117.46 114.39 1bbr n PHE 7 Ca 0.04 0.00 0.17 0.00 1.01 0.00 0.00 57.45 58.67 1bbr n PHE 7 Cb 0.46 0.00 0.67 0.00 -0.01 0.00 0.00 39.48 40.59 1bbr n PHE 7 CO 0.00 0.00 0.00 0.93 1.01 0.00 0.00 176.76 178.70 1bbr h GLU 8 N 0.00 0.00 0.00 -1.08 3.07 -1.59 0.85 114.58 115.83 1bbr h GLU 8 Ca 0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 1bbr h GLU 8 Cb 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 27.91 1bbr h GLU 8 CO 0.00 0.00 -0.72 1.63 -1.40 0.00 0.00 179.01 178.52 1bbr n LYS 9 N -3.18 0.13 -0.17 2.33 5.02 -0.95 -3.84 118.16 117.50 1bbr n LYS 9 Ca 0.04 0.01 0.06 0.00 -2.02 0.00 0.00 58.31 56.41 1bbr n LYS 9 Cb 0.65 -1.56 0.14 0.00 -0.02 0.00 0.00 35.03 34.23 1bbr n LYS 9 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 1bbr n LYS 10 N -1.74 2.43 -3.98 1.97 5.02 0.28 -4.98 118.16 117.17 1bbr n LYS 10 Ca 0.04 -2.27 -0.32 0.00 -2.02 0.00 0.00 58.31 53.74 1bbr n LYS 10 Cb 0.38 -1.42 0.01 0.00 -0.02 0.00 0.00 35.03 33.98 1bbr n LYS 10 CO 0.00 0.00 0.00 1.04 -0.52 0.00 0.00 177.40 177.92 1bbr n GLN 11 N -0.60 -4.55 -5.21 1.97 6.02 -0.47 -4.97 117.38 109.57 1bbr n GLN 11 Ca 0.12 0.51 -0.31 0.00 -0.01 0.00 0.00 57.00 57.32 1bbr n GLN 11 Cb 0.56 -5.34 -0.16 0.00 1.02 0.00 0.00 30.24 26.33 1bbr n GLN 11 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 177.06 176.13 1bbr s VAL 12 N -3.26 2.05 0.03 5.09 1.01 -0.77 -5.00 120.40 119.55 1bbr s VAL 12 Ca 0.68 -1.16 0.03 0.00 0.00 0.00 0.00 61.98 61.52 1bbr s VAL 12 Cb -0.35 -1.71 -0.04 0.00 0.00 0.00 0.00 36.38 34.28 1bbr s VAL 12 CO 0.83 0.53 -0.01 -1.10 0.00 0.00 0.00 175.10 175.35 1bbr s GLN 13 N -0.75 2.67 0.57 2.72 -0.21 -1.26 -3.64 119.66 119.76 1bbr s GLN 13 Ca 0.10 -0.70 -0.11 0.00 0.02 0.00 0.00 55.36 54.67 1bbr s GLN 13 Cb -0.10 -2.60 -0.05 0.00 1.00 0.00 0.00 33.01 31.26 1bbr s GLN 13 CO -0.00 0.59 0.97 0.16 -2.12 0.00 0.00 175.29 174.89 1bbr s ASP 14 N -1.76 6.33 0.24 5.90 1.47 -1.26 -4.99 116.67 122.60 1bbr s ASP 14 Ca 0.21 1.37 -0.10 0.00 1.18 0.00 0.00 52.55 55.21 1bbr s ASP 14 Cb -0.11 -2.44 0.37 0.00 -0.34 0.00 0.00 42.92 40.39 1bbr s ASP 14 CO 0.12 -0.75 1.62 1.56 0.68 0.00 0.00 175.17 178.40 1bbr h GLN 14 N 0.09 0.04 -0.13 2.11 1.08 -2.06 -2.96 115.11 113.27 1bbr h GLN 14 Ca -0.45 -0.00 0.00 0.00 -1.45 0.00 0.00 58.65 56.75 1bbr h GLN 14 Cb 1.19 -0.01 0.00 0.00 -0.05 0.00 0.00 27.48 28.61 1bbr h GLN 14 CO 0.62 0.03 0.00 0.25 -0.95 0.00 0.00 178.83 178.78 1bbr n THR 14 N -5.42 0.17 -0.17 -0.54 -2.24 -1.26 -4.53 114.28 100.27 1bbr n THR 14 Ca 0.12 -0.58 0.14 0.00 -2.27 0.00 0.00 64.05 61.45 1bbr n THR 14 Cb 0.42 1.28 0.47 0.00 -2.10 0.00 0.00 70.33 70.40 1bbr n THR 14 CO 0.00 0.00 0.00 -0.08 -0.57 0.00 0.00 175.07 174.42 1bbr h GLU 14 N 4.04 0.48 -0.24 -0.78 4.81 -1.92 -1.42 114.58 119.56 1bbr h GLU 14 Ca 0.00 -0.03 0.07 0.00 -0.13 0.00 0.00 59.36 59.27 1bbr h GLU 14 Cb 0.88 -0.11 -0.01 0.00 0.63 0.00 0.00 28.75 30.14 1bbr h GLU 14 CO 0.00 0.31 0.24 1.57 -0.73 0.00 0.00 179.01 180.40 1bbr h LYS 14 N 0.49 0.00 -0.39 1.92 2.10 -1.80 -1.51 116.57 117.38 1bbr h LYS 14 Ca 0.37 0.00 -0.06 0.00 -2.00 0.00 0.00 60.65 58.95 1bbr h LYS 14 Cb 0.74 0.00 -0.02 0.00 -0.90 0.00 0.00 32.23 32.05 1bbr h LYS 14 CO -0.13 0.00 -0.02 1.49 -2.00 0.00 0.00 179.45 178.79 1bbr h GLU 14 N 0.00 0.64 0.18 0.07 4.81 -1.60 -1.99 114.58 116.70 1bbr h GLU 14 Ca 0.11 -0.16 -0.31 0.00 -0.13 0.00 0.00 59.36 58.87 1bbr h GLU 14 Cb 0.59 -0.08 0.03 0.00 0.63 0.00 0.00 28.75 29.92 1bbr h GLU 14 CO -0.00 0.68 -1.35 -0.07 -0.73 0.00 0.00 179.01 177.54 1bbr h LEU 14 N 0.60 0.72 -0.42 1.64 3.38 -1.42 -2.99 115.31 116.83 1bbr h LEU 14 Ca 0.12 -0.74 -0.03 0.00 0.09 0.00 0.00 57.88 57.32 1bbr h LEU 14 Cb 0.42 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.92 1bbr h LEU 14 CO 0.02 1.57 0.13 0.15 0.09 0.00 0.00 178.44 180.40 1bbr h PHE 14 N 0.16 0.67 -0.60 1.13 3.04 -1.42 -2.73 116.94 117.20 1bbr h PHE 14 Ca -0.20 -0.07 -0.01 0.00 3.98 0.00 0.00 57.97 61.67 1bbr h PHE 14 Cb 2.04 -0.19 -0.03 0.00 2.56 0.00 0.00 35.95 40.33 1bbr h PHE 14 CO 0.10 0.62 0.33 1.49 -2.02 0.00 0.00 178.31 178.83 1bbr h GLU 14 N 0.53 0.82 0.00 1.11 4.81 -1.45 -2.07 114.58 118.33 1bbr h GLU 14 Ca 0.13 -0.08 -0.02 0.00 -0.13 0.00 0.00 59.36 59.26 1bbr h GLU 14 Cb 0.26 -0.17 -0.00 0.00 0.63 0.00 0.00 28.75 29.47 1bbr h GLU 14 CO -0.00 0.60 -0.11 0.66 -0.73 0.00 0.00 179.01 179.42 1bbr h SER 14 N 0.83 0.00 0.00 1.04 4.64 -1.33 -3.43 113.55 115.30 1bbr h SER 14 Ca 0.21 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.53 1bbr h SER 14 Cb 0.02 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.11 1bbr h SER 14 CO -0.03 0.11 0.00 -1.22 -0.87 0.00 0.00 176.83 174.82 1bbr n TYR 14 N -3.35 0.00 0.00 4.77 4.01 -0.78 -4.93 117.16 116.88 1bbr n TYR 14 Ca -0.01 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.73 1bbr n TYR 14 Cb 0.31 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.34 1bbr n TYR 14 CO 0.00 0.00 0.00 -0.89 -0.46 0.00 0.00 176.86 175.51 1bbr n ILE 14 N 0.00 0.00 0.65 -0.72 2.08 -1.26 -3.84 119.36 116.28 1bbr n ILE 14 Ca 0.00 0.00 0.00 0.00 0.56 0.00 0.00 62.75 63.31 1bbr n ILE 14 Cb 0.00 0.00 0.00 0.00 -0.75 0.00 0.00 39.64 38.89 1bbr n ILE 14 CO 0.00 0.00 0.00 1.21 0.56 0.00 0.00 176.55 178.32 1bbr n GLU 14 N -0.92 0.65 -0.26 0.38 4.07 -1.26 -4.19 120.64 119.11 1bbr n GLU 14 Ca 0.00 0.00 0.11 0.00 -0.06 0.00 0.00 57.16 57.21 1bbr n GLU 14 Cb 0.00 -1.19 0.37 0.00 -0.06 0.00 0.00 31.44 30.56 1bbr n GLU 14 CO 0.00 0.00 0.00 0.78 -0.06 0.00 0.00 177.13 177.85 1bbr h GLY 14 N 3.35 1.19 0.00 8.31 0.00 -1.92 -3.57 103.07 110.43 1bbr h GLY 14 Ca 0.00 -0.31 0.00 0.00 0.00 0.00 0.00 47.33 47.02 1bbr h GLY 14 CO 0.00 0.11 0.00 -2.13 0.00 0.00 0.00 176.54 174.52