#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1r7f n GLY 2 N 0.00 -0.86 2.01 0.23 0.00 -1.26 -4.81 105.19 100.49 1r7f n GLY 2 Ca 0.00 0.15 0.00 0.00 0.00 0.00 0.00 46.02 46.17 1r7f n GLY 2 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1r7f n SER 3 N 0.00 -0.10 -1.75 1.61 7.64 -1.26 -4.73 113.62 115.02 1r7f n SER 3 Ca 0.00 0.04 0.00 0.00 1.01 0.00 0.00 58.87 59.92 1r7f n SER 3 Cb 0.00 0.29 0.00 0.00 -1.01 0.00 0.00 64.21 63.49 1r7f n SER 3 CO 0.00 0.00 0.00 1.87 -3.01 0.00 0.00 175.04 173.90 1r7f n TRP 4 N -2.56 0.00 0.12 1.43 -0.00 -1.26 -4.01 117.44 111.16 1r7f n TRP 4 Ca 0.00 0.00 0.19 0.00 -0.00 0.00 0.00 57.50 57.69 1r7f n TRP 4 Cb 0.00 0.00 0.76 0.00 -0.00 0.00 0.00 31.31 32.07 1r7f n TRP 4 CO 0.00 0.00 0.00 1.25 -0.00 0.00 0.00 177.69 178.94 1r7f h LEU 5 N 0.00 0.00 -2.36 5.87 6.46 -2.00 0.22 115.31 123.50 1r7f h LEU 5 Ca 0.00 0.00 -0.00 0.00 -0.12 0.00 0.00 57.88 57.76 1r7f h LEU 5 Cb 0.00 0.00 -0.00 0.00 -0.73 0.00 0.00 40.66 39.93 1r7f h LEU 5 CO 0.00 0.00 -0.01 0.03 -0.62 0.00 0.00 178.44 177.84 1r7f h ARG 6 N 0.00 0.00 0.00 1.25 3.08 -1.96 -2.89 114.38 113.86 1r7f h ARG 6 Ca 0.16 0.00 -0.02 0.00 0.07 0.00 0.00 59.98 60.19 1r7f h ARG 6 Cb 0.81 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.86 1r7f h ARG 6 CO -0.00 0.01 -1.06 -3.47 -1.07 0.00 0.00 179.97 174.38 1r7f n ASP 7 N -3.91 4.79 0.26 7.04 2.03 -0.12 -4.55 116.55 122.09 1r7f n ASP 7 Ca -0.03 0.00 0.12 0.00 0.52 0.00 0.00 54.79 55.40 1r7f n ASP 7 Cb 0.10 0.52 0.68 0.00 -0.72 0.00 0.00 41.12 41.70 1r7f n ASP 7 CO 0.00 0.00 0.00 -0.29 -1.92 0.00 0.00 177.20 174.99 1r7f h ILE 8 N 0.00 0.58 -0.25 5.18 2.10 -0.68 -2.53 117.51 121.91 1r7f h ILE 8 Ca -0.02 -0.63 -0.02 0.00 1.08 0.00 0.00 64.86 65.27 1r7f h ILE 8 Cb 1.05 1.41 -0.01 0.00 -1.09 0.00 0.00 36.82 38.17 1r7f h ILE 8 CO 0.00 0.14 0.08 4.11 -1.08 0.00 0.00 178.15 181.40 1r7f h TRP 9 N 0.00 0.34 -0.70 2.19 0.09 -1.74 -1.74 115.95 114.38 1r7f h TRP 9 Ca -0.00 -0.01 -0.01 0.00 0.09 0.00 0.00 58.89 58.96 1r7f h TRP 9 Cb 0.39 -0.11 -0.03 0.00 0.08 0.00 0.00 29.16 29.49 1r7f h TRP 9 CO 0.00 0.29 0.40 0.22 0.09 0.00 0.00 178.44 179.44 1r7f h ASP 10 N 0.34 0.85 -0.57 0.11 3.58 -1.75 0.81 116.42 119.80 1r7f h ASP 10 Ca 0.09 -0.06 0.08 0.00 0.42 0.00 0.00 57.03 57.55 1r7f h ASP 10 Cb 0.11 -0.22 -0.06 0.00 1.72 0.00 0.00 39.33 40.88 1r7f h ASP 10 CO -0.01 0.67 0.23 -0.25 -2.88 0.00 0.00 179.24 177.01 1r7f h TRP 11 N 0.97 0.41 0.19 0.28 7.01 -1.44 0.60 115.95 123.96 1r7f h TRP 11 Ca 0.25 0.03 -0.35 0.00 2.11 0.00 0.00 58.89 60.93 1r7f h TRP 11 Cb -0.00 -0.10 0.01 0.00 -2.10 0.00 0.00 29.16 26.97 1r7f h TRP 11 CO 0.01 0.14 -1.71 0.82 -2.79 0.00 0.00 178.44 174.90 1r7f h ILE 12 N 0.43 0.99 -0.33 2.65 5.03 -1.43 -3.24 117.51 121.60 1r7f h ILE 12 Ca 0.28 -2.56 -0.06 0.00 -0.12 0.00 0.00 64.86 62.40 1r7f h ILE 12 Cb 0.29 2.79 -0.01 0.00 -3.03 0.00 0.00 36.82 36.87 1r7f h ILE 12 CO -0.26 0.85 -0.03 0.00 -0.68 0.00 0.00 178.15 178.03 1r7f h GLU 14 N 0.41 0.73 -0.61 0.00 4.81 0.04 -2.10 114.58 117.86 1r7f h GLU 14 Ca 0.09 -0.09 -0.04 0.00 -0.13 0.00 0.00 59.36 59.20 1r7f h GLU 14 Cb 0.50 -0.14 -0.03 0.00 0.63 0.00 0.00 28.75 29.71 1r7f h GLU 14 CO 0.02 0.57 0.22 0.28 -0.73 0.00 0.00 179.01 179.38 1r7f h VAL 15 N 0.70 1.22 -0.55 0.32 2.07 -1.57 -2.60 116.25 115.85 1r7f h VAL 15 Ca 0.18 -0.72 -0.08 0.00 0.82 0.00 0.00 66.70 66.90 1r7f h VAL 15 Cb 0.05 0.51 -0.02 0.00 -1.52 0.00 0.00 31.29 30.31 1r7f h VAL 15 CO -0.03 0.28 0.02 -0.07 0.02 0.00 0.00 177.57 177.79 1r7f h LEU 16 N 0.89 0.89 -0.68 2.57 4.07 -0.99 -2.76 115.31 119.29 1r7f h LEU 16 Ca 0.21 -0.23 0.03 0.00 0.08 0.00 0.00 57.88 57.97 1r7f h LEU 16 Cb 0.20 -0.24 -0.05 0.00 1.08 0.00 0.00 40.66 41.66 1r7f h LEU 16 CO -0.02 0.94 0.42 0.28 -1.08 0.00 0.00 178.44 178.99 1r7f h SER 17 N 0.86 0.68 -0.40 -0.43 0.02 -0.99 0.75 113.55 114.03 1r7f h SER 17 Ca 0.16 0.01 -0.05 0.00 -0.84 0.00 0.00 61.79 61.07 1r7f h SER 17 Cb 0.48 -0.14 -0.02 0.00 0.14 0.00 0.00 62.40 62.86 1r7f h SER 17 CO 0.02 0.46 0.08 -0.78 -1.14 0.00 0.00 176.83 175.48 1r7f h ASP 18 N 0.81 0.68 1.31 3.07 3.58 -1.41 0.55 116.42 125.01 1r7f h ASP 18 Ca 0.28 -0.13 0.00 0.00 0.42 0.00 0.00 57.03 57.60 1r7f h ASP 18 Cb 0.05 -0.18 0.00 0.00 1.72 0.00 0.00 39.33 40.92 1r7f h ASP 18 CO -0.12 0.70 0.00 0.33 -2.88 0.00 0.00 179.24 177.27 1r7f n PHE 19 N -4.27 0.92 -0.09 0.28 -0.00 -0.60 -3.61 117.46 110.09 1r7f n PHE 19 Ca 0.03 0.29 -0.09 0.00 -0.00 0.00 0.00 57.45 57.68 1r7f n PHE 19 Cb 0.24 -0.97 -0.14 0.00 -0.00 0.00 0.00 39.48 38.61 1r7f n PHE 19 CO 0.00 0.00 0.00 1.17 -0.00 0.00 0.00 176.76 177.93 1r7f n LYS 20 N -2.27 1.12 -0.26 -4.13 4.81 0.16 -4.11 118.16 113.48 1r7f n LYS 20 Ca 0.05 -0.00 -0.02 0.00 -0.87 0.00 0.00 58.31 57.47 1r7f n LYS 20 Cb 0.38 -1.45 0.16 0.00 0.02 0.00 0.00 35.03 34.15 1r7f n LYS 20 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1r7f h THR 21 N 0.00 1.23 0.00 3.15 1.03 0.01 -2.25 112.91 116.08 1r7f h THR 21 Ca -0.47 -0.55 -0.16 0.00 -0.01 0.00 0.00 66.41 65.21 1r7f h THR 21 Cb 2.06 0.14 -0.02 0.00 -1.07 0.00 0.00 68.15 69.25 1r7f h THR 21 CO 0.02 0.25 -0.75 4.11 -0.01 0.00 0.00 175.52 179.14 1r7f h TRP 22 N 1.11 0.00 -0.54 0.00 5.08 -1.78 -2.81 115.95 117.00 1r7f h TRP 22 Ca 0.28 0.00 0.03 0.00 1.08 0.00 0.00 58.89 60.28 1r7f h TRP 22 Cb 0.00 0.00 -0.04 0.00 -3.00 0.00 0.00 29.16 26.13 1r7f h TRP 22 CO 0.01 0.75 0.32 1.25 -1.28 0.00 0.00 178.44 179.49 1r7f h LEU 23 N 0.00 0.51 -0.38 0.11 7.12 -1.56 0.96 115.31 122.07 1r7f h LEU 23 Ca -0.01 0.01 -0.19 0.00 0.13 0.00 0.00 57.88 57.82 1r7f h LEU 23 Cb 1.43 -0.10 -0.00 0.00 -0.53 0.00 0.00 40.66 41.46 1r7f h LEU 23 CO 0.10 0.36 -0.71 0.50 -0.13 0.00 0.00 178.44 178.56 1r7f h LYS 24 N 0.63 0.51 -0.50 1.25 1.63 -1.53 0.83 116.57 119.38 1r7f h LYS 24 Ca 0.22 -0.40 -0.04 0.00 -0.85 0.00 0.00 60.65 59.59 1r7f h LYS 24 Cb 0.04 0.08 -0.02 0.00 -0.60 0.00 0.00 32.23 31.73 1r7f h LYS 24 CO -0.11 1.02 0.14 0.00 -3.45 0.00 0.00 179.45 177.05 1r7f h ALA 25 N 0.87 1.31 0.00 5.00 0.00 -1.14 -2.44 119.26 122.86 1r7f h ALA 25 Ca -0.03 -0.18 -0.09 0.00 0.00 0.00 0.00 54.91 54.61 1r7f h ALA 25 Cb 1.29 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.86 1r7f h ALA 25 CO 0.13 0.49 -0.91 -0.22 0.00 0.00 0.00 179.25 178.74 1r7f h LYS 26 N 0.73 0.00 -5.54 0.00 1.63 -0.74 -3.49 116.57 109.15 1r7f h LYS 26 Ca 0.17 0.00 -0.07 0.00 -0.85 0.00 0.00 60.65 59.90 1r7f h LYS 26 Cb 0.24 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 31.87 1r7f h LYS 26 CO -0.01 0.24 -0.27 -0.11 -3.45 0.00 0.00 179.45 175.86 1r7f n LEU 27 N -2.95 -6.38 -4.42 5.20 7.94 0.28 -4.97 117.00 111.69 1r7f n LEU 27 Ca -0.03 -0.04 -0.38 0.00 -1.11 0.00 0.00 56.01 54.46 1r7f n LEU 27 Cb 0.71 -3.10 -0.12 0.00 0.53 0.00 0.00 43.42 41.44 1r7f n LEU 27 CO 0.41 -1.19 -0.24 -0.32 -1.11 0.00 0.00 177.39 174.94 1r7f s MET 28 N -3.11 3.37 1.06 1.96 1.75 -1.23 -5.07 119.30 118.03 1r7f s MET 28 Ca 0.07 -0.68 -0.17 0.00 -1.25 0.00 0.00 55.69 53.65 1r7f s MET 28 Cb -0.02 -3.47 0.24 0.00 2.84 0.00 0.00 34.83 34.42 1r7f s MET 28 CO 0.77 -0.36 1.25 -1.25 -0.65 0.00 0.00 175.02 174.78 1r7f s PRO 29 N 1.59 -0.14 -0.34 4.11 0.04 -1.26 -4.95 135.00 134.06 1r7f s PRO 29 Ca 0.05 -0.31 -0.29 0.00 0.04 0.00 0.00 61.00 60.49 1r7f s PRO 29 Cb -0.17 -1.75 -0.00 0.00 0.04 0.00 0.00 34.50 32.63 1r7f s PRO 29 CO 0.05 -2.95 1.43 -1.14 0.04 0.00 0.00 177.00 174.44 1r7f s GLN 30 N -5.73 3.71 0.00 4.56 2.00 -1.26 -5.28 119.66 117.66 1r7f s GLN 30 Ca 0.73 1.19 0.00 0.00 -2.00 0.00 0.00 55.36 55.28 1r7f s GLN 30 Cb -0.06 -3.99 0.00 0.00 0.80 0.00 0.00 33.01 29.76 1r7f s GLN 30 CO 0.54 -1.39 0.00 -0.11 -0.50 0.00 0.00 175.29 173.83