#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kb9 n GLN 3 N 3.42 0.00 -2.52 0.00 0.00 -1.26 -5.00 117.38 112.02 2kb9 n GLN 3 Ca -0.17 0.00 -0.41 0.00 -0.00 0.00 0.00 57.00 56.42 2kb9 n GLN 3 Cb 0.57 0.00 -0.04 0.00 0.00 0.00 0.00 30.24 30.76 2kb9 n GLN 3 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 177.06 176.59 2kb9 s TYR 4 N -1.70 3.62 -1.76 3.69 5.04 -1.26 -3.12 117.35 121.85 2kb9 s TYR 4 Ca 0.00 1.64 0.00 0.00 -2.44 0.00 0.00 57.07 56.27 2kb9 s TYR 4 Cb 0.00 -3.26 0.00 0.00 0.35 0.00 0.00 41.96 39.05 2kb9 s TYR 4 CO 0.00 -0.53 0.00 0.41 -1.34 0.00 0.00 175.55 174.09 2kb9 n GLY 5 N 1.83 1.32 2.63 8.97 0.00 -1.26 -4.93 105.19 113.75 2kb9 n GLY 5 Ca 0.02 -0.19 -0.21 0.00 0.00 0.00 0.00 46.02 45.64 2kb9 n GLY 5 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 2kb9 s TRP 6 N -2.68 0.09 0.06 1.61 0.52 -1.18 -4.34 118.94 113.03 2kb9 s TRP 6 Ca 0.00 -1.27 0.00 0.00 0.02 0.00 0.00 56.10 54.86 2kb9 s TRP 6 Cb 0.00 -0.56 -0.00 0.00 -1.15 0.00 0.00 33.47 31.76 2kb9 s TRP 6 CO 0.00 -0.93 0.01 0.00 0.02 0.00 0.00 176.95 176.05 2kb9 n GLN 7 N 3.84 1.19 0.00 4.98 10.64 -1.24 -4.58 117.38 132.21 2kb9 n GLN 7 Ca 0.15 -0.52 0.00 0.00 -1.83 0.00 0.00 57.00 54.80 2kb9 n GLN 7 Cb 0.44 0.23 0.00 0.00 -0.86 0.00 0.00 30.24 30.06 2kb9 n GLN 7 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.06 175.64 2kb9 n GLY 8 N 2.61 0.58 0.09 2.61 0.00 -1.26 -4.26 105.19 105.55 2kb9 n GLY 8 Ca -0.02 -1.44 -0.13 0.00 0.00 0.00 0.00 46.02 44.43 2kb9 n GLY 8 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 2kb9 h LEU 9 N 0.00 -0.08 0.00 0.99 5.85 -1.98 -3.47 115.31 116.61 2kb9 h LEU 9 Ca 0.00 -0.34 0.00 0.00 0.84 0.00 0.00 57.88 58.38 2kb9 h LEU 9 Cb 0.00 0.02 0.00 0.00 0.37 0.00 0.00 40.66 41.05 2kb9 h LEU 9 CO 0.00 0.31 0.00 -1.22 -0.34 0.00 0.00 178.44 177.19 2kb9 n TYR 10 N -4.95 -2.19 -3.15 1.25 4.01 -1.26 -5.12 117.16 105.74 2kb9 n TYR 10 Ca -0.08 0.32 0.05 0.00 -0.16 0.00 0.00 57.90 58.03 2kb9 n TYR 10 Cb 0.22 1.10 -0.01 0.00 -0.31 0.00 0.00 39.34 40.35 2kb9 n TYR 10 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 2kb9 n ASP 12 N 5.29 0.00 -4.83 0.00 -0.08 -1.26 -5.09 116.55 110.58 2kb9 n ASP 12 Ca 0.02 0.00 -0.36 0.00 -1.51 0.00 0.00 54.79 52.95 2kb9 n ASP 12 Cb 0.56 0.00 -0.06 0.00 2.34 0.00 0.00 41.12 43.96 2kb9 n ASP 12 CO 0.00 0.00 0.00 -0.54 0.12 0.00 0.00 177.20 176.78 2kb9 s LYS 13 N -0.78 4.09 -0.28 -0.67 1.02 -1.26 -4.91 119.74 116.96 2kb9 s LYS 13 Ca 0.00 0.65 0.11 0.00 0.02 0.00 0.00 55.97 56.75 2kb9 s LYS 13 Cb 0.00 -2.92 0.57 0.00 -0.52 0.00 0.00 37.83 34.97 2kb9 s LYS 13 CO 0.00 0.45 1.56 0.00 -0.92 0.00 0.00 175.35 176.44 2kb9 n ILE 15 N -0.75 -7.91 0.25 0.00 5.41 -1.26 -3.94 119.36 111.15 2kb9 n ILE 15 Ca 0.33 0.39 0.13 0.00 1.00 0.00 0.00 62.75 64.60 2kb9 n ILE 15 Cb 1.12 -5.62 0.58 0.00 -0.71 0.00 0.00 39.64 35.01 2kb9 n ILE 15 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 176.55 178.10 2kb9 h PRO 16 N 1.58 0.00 -0.09 0.38 0.13 -1.94 -3.29 132.00 128.77 2kb9 h PRO 16 Ca -0.25 0.00 0.02 0.00 -0.87 0.00 0.00 66.00 64.90 2kb9 h PRO 16 Cb 1.17 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 32.26 2kb9 h PRO 16 CO 0.24 0.14 -0.36 0.45 -0.23 0.00 0.00 178.00 178.24 2kb9 h HIS 17 N 0.00 -1.07 -0.54 1.56 3.86 -1.88 -1.61 115.15 115.46 2kb9 h HIS 17 Ca -0.00 0.04 -0.32 0.00 -1.16 0.00 0.00 60.37 58.93 2kb9 h HIS 17 Cb 0.60 0.48 -0.04 0.00 1.06 0.00 0.00 27.41 29.51 2kb9 h HIS 17 CO 0.00 -0.36 0.98 -1.25 0.86 0.00 0.00 177.93 178.15 2kb9 s PRO 18 N -4.79 2.52 0.00 2.45 0.04 -1.24 -2.19 135.00 131.79 2kb9 s PRO 18 Ca -0.10 -0.92 0.00 0.00 0.04 0.00 0.00 61.00 60.02 2kb9 s PRO 18 Cb 0.05 -5.19 0.00 0.00 0.04 0.00 0.00 34.50 29.39 2kb9 s PRO 18 CO 0.40 -3.81 0.00 0.41 0.04 0.00 0.00 177.00 174.05 2kb9 n GLY 19 N 6.11 1.94 3.01 0.56 0.00 -1.24 -4.98 105.19 110.58 2kb9 n GLY 19 Ca 0.43 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.48 2kb9 n GLY 19 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2kb9 n VAL 21 N -0.70 0.40 -4.16 0.00 0.31 -0.51 -4.47 118.33 109.21 2kb9 n VAL 21 Ca 0.03 0.13 -0.15 0.00 -0.01 0.00 0.00 64.34 64.35 2kb9 n VAL 21 Cb 0.44 -1.37 -0.07 0.00 -0.91 0.00 0.00 33.84 31.93 2kb9 n VAL 21 CO 0.00 0.00 0.00 -1.00 -1.32 0.00 0.00 176.83 174.51 2kb9 s HIS 22 N -2.00 1.20 0.00 3.52 0.09 -1.19 -4.84 115.29 112.07 2kb9 s HIS 22 Ca 0.00 -1.35 0.00 0.00 -0.00 0.00 0.00 55.06 53.71 2kb9 s HIS 22 Cb 0.00 -0.34 0.00 0.00 -0.00 0.00 0.00 32.58 32.24 2kb9 s HIS 22 CO 0.00 -0.93 0.00 0.41 -0.00 0.00 0.00 174.74 174.22 2kb9 n GLY 23 N -0.49 -0.72 2.55 -2.22 0.00 -1.26 -4.75 105.19 98.29 2kb9 n GLY 23 Ca 0.03 -2.15 -0.20 0.00 0.00 0.00 0.00 46.02 43.69 2kb9 n GLY 23 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 2kb9 n ILE 24 N 0.00 0.00 -3.56 -0.61 -5.35 -0.47 -4.97 119.36 104.40 2kb9 n ILE 24 Ca 0.00 -1.77 -0.12 0.00 -0.27 0.00 0.00 62.75 60.59 2kb9 n ILE 24 Cb 0.00 0.56 -0.05 0.00 -1.74 0.00 0.00 39.64 38.41 2kb9 n ILE 24 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 2kb9 n ASN 26 N 0.64 4.13 -4.76 0.00 5.15 -1.26 -4.79 115.26 114.38 2kb9 n ASN 26 Ca -0.12 0.00 -0.22 0.00 -0.60 0.00 0.00 54.58 53.64 2kb9 n ASN 26 Cb 0.58 0.82 -0.05 0.00 -0.53 0.00 0.00 39.78 40.60 2kb9 n ASN 26 CO 0.00 0.00 0.00 -1.61 1.40 0.00 0.00 177.26 177.05 2kb9 s GLU 27 N -2.16 2.66 0.04 1.20 2.02 -1.26 -5.03 118.70 116.17 2kb9 s GLU 27 Ca -0.02 -1.22 -0.30 0.00 0.02 0.00 0.00 54.97 53.45 2kb9 s GLU 27 Cb 0.02 -2.40 -0.06 0.00 0.10 0.00 0.00 34.13 31.79 2kb9 s GLU 27 CO 0.15 0.35 1.42 -1.25 0.02 0.00 0.00 175.26 175.95 2kb9 s PRO 28 N -3.79 4.29 -0.90 0.39 0.04 -1.26 -3.58 135.00 130.18 2kb9 s PRO 28 Ca 0.33 2.02 -0.05 0.00 0.04 0.00 0.00 61.00 63.35 2kb9 s PRO 28 Cb -0.07 -3.49 -0.05 0.00 0.04 0.00 0.00 34.50 30.92 2kb9 s PRO 28 CO 0.23 -0.55 0.78 0.91 0.04 0.00 0.00 177.00 178.42 2kb9 n TRP 29 N 5.02 -2.07 -4.13 0.56 5.03 -1.25 -5.04 117.44 115.55 2kb9 n TRP 29 Ca 0.13 0.73 -0.14 0.00 3.03 0.00 0.00 57.50 61.25 2kb9 n TRP 29 Cb 0.43 -3.94 -0.06 0.00 -1.03 0.00 0.00 31.31 26.71 2kb9 n TRP 29 CO 0.00 0.00 0.00 -0.65 -0.03 0.00 0.00 177.69 177.01 2kb9 s GLN 30 N -4.26 1.70 -0.00 -0.99 -1.52 -1.23 -5.16 119.66 108.20 2kb9 s GLN 30 Ca 0.36 -1.70 0.01 0.00 -1.95 0.00 0.00 55.36 52.08 2kb9 s GLN 30 Cb -0.05 0.40 -0.00 0.00 -0.22 0.00 0.00 33.01 33.14 2kb9 s GLN 30 CO 0.63 -0.67 -0.03 0.00 -0.25 0.00 0.00 175.29 174.96 2kb9 s LEU 32 N -0.00 0.29 0.16 0.00 1.43 0.84 -4.95 118.68 116.44 2kb9 s LEU 32 Ca 0.00 -0.82 0.01 0.00 -1.03 0.00 0.00 54.13 52.30 2kb9 s LEU 32 Cb -0.02 -0.11 -0.04 0.00 0.03 0.00 0.00 46.19 46.04 2kb9 s LEU 32 CO -0.00 -0.38 0.02 0.00 0.23 0.00 0.00 176.35 176.22 2kb9 s GLU 34 N -3.96 -1.90 0.21 0.00 2.12 -1.26 -4.95 118.70 108.96 2kb9 s GLU 34 Ca 0.24 -0.03 0.09 0.00 0.36 0.00 0.00 54.97 55.63 2kb9 s GLU 34 Cb 0.07 -1.51 0.13 0.00 0.26 0.00 0.00 34.13 33.08 2kb9 s GLU 34 CO 0.03 -4.17 1.48 1.15 -0.54 0.00 0.00 175.26 173.22 2kb9 h THR 35 N -2.91 1.54 -0.63 -1.70 2.02 -2.02 -3.15 112.91 106.06 2kb9 h THR 35 Ca -0.44 -2.63 0.18 0.00 0.77 0.00 0.00 66.41 64.29 2kb9 h THR 35 Cb 1.31 2.42 -0.03 0.00 -1.74 0.00 0.00 68.15 70.11 2kb9 h THR 35 CO 0.31 0.75 0.46 0.78 0.37 0.00 0.00 175.52 178.18 2kb9 h ASN 36 N 0.00 0.01 -3.32 4.18 -0.26 -2.03 -3.39 115.58 110.77 2kb9 h ASN 36 Ca -0.01 0.00 -0.56 0.00 -0.56 0.00 0.00 56.30 55.17 2kb9 h ASN 36 Cb 1.36 -0.00 -0.05 0.00 -1.06 0.00 0.00 38.32 38.57 2kb9 h ASN 36 CO 0.10 0.01 0.39 0.26 -1.06 0.00 0.00 177.43 177.13 2kb9 s TRP 37 N -5.02 3.53 -0.26 1.19 0.52 -1.19 -5.03 118.94 112.68 2kb9 s TRP 37 Ca -0.05 1.46 -0.12 0.00 0.02 0.00 0.00 56.10 57.41 2kb9 s TRP 37 Cb 0.20 -3.06 -0.05 0.00 -1.15 0.00 0.00 33.47 29.42 2kb9 s TRP 37 CO 0.74 -0.13 0.23 0.20 0.02 0.00 0.00 176.95 178.01 2kb9 s GLY 38 N 1.04 1.95 0.00 0.98 0.00 -1.26 -4.92 107.32 105.12 2kb9 s GLY 38 Ca 0.44 -0.94 0.00 0.00 0.00 0.00 0.00 44.72 44.23 2kb9 s GLY 38 CO 0.19 0.64 0.00 0.61 0.00 0.00 0.00 173.10 174.53 2kb9 n GLY 39 N 4.66 2.65 0.25 0.20 0.00 -1.26 -4.36 105.19 107.33 2kb9 n GLY 39 Ca -0.13 -1.75 0.05 0.00 0.00 0.00 0.00 46.02 44.19 2kb9 n GLY 39 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 173.32 171.71 2kb9 h GLN 40 N 0.00 0.15 0.00 1.61 4.15 -1.98 -1.38 115.11 117.66 2kb9 h GLN 40 Ca 0.00 -0.02 -0.05 0.00 0.77 0.00 0.00 58.65 59.35 2kb9 h GLN 40 Cb 0.00 -0.03 -0.01 0.00 0.21 0.00 0.00 27.48 27.66 2kb9 h GLN 40 CO 0.00 0.21 -0.24 -0.07 -1.93 0.00 0.00 178.83 176.81 2kb9 h LEU 41 N 0.15 0.00 -2.51 -2.39 3.38 -1.87 -3.46 115.31 108.60 2kb9 h LEU 41 Ca 0.03 0.00 -0.18 0.00 0.09 0.00 0.00 57.88 57.82 2kb9 h LEU 41 Cb 0.19 0.00 0.12 0.00 0.09 0.00 0.00 40.66 41.06 2kb9 h LEU 41 CO 0.01 0.24 -0.57 0.00 0.09 0.00 0.00 178.44 178.20 2kb9 s ASP 43 N -3.25 5.01 0.00 0.00 -4.77 -1.26 -3.19 116.67 109.21 2kb9 s ASP 43 Ca 0.29 -0.71 0.17 0.00 -3.30 0.00 0.00 52.55 49.00 2kb9 s ASP 43 Cb -0.05 -0.68 1.01 0.00 -1.09 0.00 0.00 42.92 42.11 2kb9 s ASP 43 CO 0.76 -0.53 1.41 2.29 0.70 0.00 0.00 175.17 179.80