#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2khb s LEU 2 N 0.00 4.44 -0.05 0.99 1.02 -1.26 -4.96 118.68 118.86 2khb s LEU 2 Ca 0.00 2.11 -0.30 0.00 0.02 0.00 0.00 54.13 55.97 2khb s LEU 2 Cb 0.00 -3.60 -0.07 0.00 0.02 0.00 0.00 46.19 42.55 2khb s LEU 2 CO 0.00 -0.35 1.82 -2.84 0.02 0.00 0.00 176.35 175.01 2khb s PRO 3 N 0.11 4.04 0.25 1.29 0.02 -1.26 -4.88 135.00 134.57 2khb s PRO 3 Ca 0.53 2.30 -0.03 0.00 0.02 0.00 0.00 61.00 63.82 2khb s PRO 3 Cb -0.30 -4.09 0.30 0.00 0.02 0.00 0.00 34.50 30.42 2khb s PRO 3 CO 0.34 -1.04 1.75 0.28 -0.33 0.00 0.00 177.00 178.00 2khb h VAL 4 N 5.78 1.25 0.00 3.83 2.07 -1.97 -3.36 116.25 123.84 2khb h VAL 4 Ca -0.43 -1.02 -0.18 0.00 0.82 0.00 0.00 66.70 65.90 2khb h VAL 4 Cb 1.20 0.86 -0.03 0.00 -1.52 0.00 0.00 31.29 31.80 2khb h VAL 4 CO 0.95 0.36 -1.47 0.00 0.02 0.00 0.00 177.57 177.44 2khb n GLY 6 N 1.78 -0.26 3.24 0.00 0.00 -1.26 -4.76 105.19 103.93 2khb n GLY 6 Ca -0.26 0.04 -0.13 0.00 0.00 0.00 0.00 46.02 45.66 2khb n GLY 6 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2khb s GLU 7 N -5.40 0.68 -0.17 1.61 2.56 -1.26 -5.01 118.70 111.72 2khb s GLU 7 Ca 0.13 -0.21 -0.03 0.00 0.00 0.00 0.00 54.97 54.85 2khb s GLU 7 Cb -0.06 0.30 -0.02 0.00 2.00 0.00 0.00 34.13 36.35 2khb s GLU 7 CO 0.62 -0.19 -0.04 0.95 -0.56 0.00 0.00 175.26 176.03 2khb s THR 8 N -1.41 3.74 -0.34 -1.70 -4.23 -1.26 -0.54 115.64 109.89 2khb s THR 8 Ca -0.13 -0.40 -0.01 0.00 -1.18 0.00 0.00 61.69 59.97 2khb s THR 8 Cb -0.05 -2.65 0.26 0.00 1.34 0.00 0.00 72.50 71.40 2khb s THR 8 CO 0.04 0.48 1.94 0.00 -0.54 0.00 0.00 174.62 176.54 2khb h VAL 10 N 0.93 1.21 -0.85 0.00 3.04 -1.80 -2.32 116.25 116.46 2khb h VAL 10 Ca 0.33 -0.70 -0.39 0.00 -1.01 0.00 0.00 66.70 64.93 2khb h VAL 10 Cb 1.07 0.57 -0.23 0.00 -2.01 0.00 0.00 31.29 30.69 2khb h VAL 10 CO 0.82 0.27 0.49 0.61 -1.01 0.00 0.00 177.57 178.75 2khb n GLY 11 N -0.99 4.03 3.58 3.17 0.00 -1.26 -4.89 105.19 108.82 2khb n GLY 11 Ca 0.04 -0.98 -0.23 0.00 0.00 0.00 0.00 46.02 44.85 2khb n GLY 11 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2khb n GLY 12 N -0.71 -0.53 3.29 -0.02 0.00 -0.87 -5.00 105.19 101.35 2khb n GLY 12 Ca 0.50 0.24 -0.10 0.00 0.00 0.00 0.00 46.02 46.66 2khb n GLY 12 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 2khb s THR 13 N -3.32 0.09 -0.09 2.61 -1.32 -1.26 -5.10 115.64 107.25 2khb s THR 13 Ca 0.53 -0.75 -0.03 0.00 -1.21 0.00 0.00 61.69 60.23 2khb s THR 13 Cb -0.23 -1.22 0.05 0.00 -1.51 0.00 0.00 72.50 69.58 2khb s THR 13 CO 0.73 -0.41 0.17 0.00 -2.21 0.00 0.00 174.62 172.90 2khb h ASN 15 N 8.29 0.49 -2.66 0.00 2.35 -1.94 -3.44 115.58 118.67 2khb h ASN 15 Ca -0.15 -0.50 -0.57 0.00 -0.55 0.00 0.00 56.30 54.54 2khb h ASN 15 Cb 1.12 -0.16 -0.02 0.00 0.05 0.00 0.00 38.32 39.31 2khb h ASN 15 CO 0.16 1.37 1.19 -0.89 -1.65 0.00 0.00 177.43 177.60 2khb s THR 16 N -2.75 3.56 0.30 2.81 2.01 -1.26 -4.95 115.64 115.36 2khb s THR 16 Ca -0.05 0.62 -0.30 0.00 0.31 0.00 0.00 61.69 62.27 2khb s THR 16 Cb 0.07 -3.59 -0.12 0.00 0.01 0.00 0.00 72.50 68.88 2khb s THR 16 CO 0.89 -0.26 1.57 -2.65 -0.69 0.00 0.00 174.62 173.48 2khb n PRO 17 N 7.84 2.66 -0.30 4.92 -0.02 -1.26 -1.70 135.00 147.15 2khb n PRO 17 Ca 0.20 0.94 0.00 0.00 -2.02 0.00 0.00 63.50 62.63 2khb n PRO 17 Cb 0.45 -2.71 0.00 0.00 -0.02 0.00 0.00 33.50 31.22 2khb n PRO 17 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2khb n GLY 18 N 1.92 1.89 3.74 -1.23 0.00 -1.26 -5.01 105.19 105.25 2khb n GLY 18 Ca 0.08 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.71 2khb n GLY 18 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2khb s THR 20 N 0.24 4.82 -0.05 0.00 2.01 0.13 -4.78 115.64 118.01 2khb s THR 20 Ca 0.30 0.75 -0.30 0.00 0.31 0.00 0.00 61.69 62.75 2khb s THR 20 Cb -0.17 -3.66 -0.02 0.00 0.01 0.00 0.00 72.50 68.66 2khb s THR 20 CO 0.15 -0.01 1.02 0.00 -0.69 0.00 0.00 174.62 175.09 2khb n SER 22 N 4.51 0.69 -2.58 0.00 7.64 -0.06 -4.92 113.62 118.89 2khb n SER 22 Ca 0.08 -2.84 -0.34 0.00 1.01 0.00 0.00 58.87 56.78 2khb n SER 22 Cb 0.49 -0.64 -0.05 0.00 -1.01 0.00 0.00 64.21 63.01 2khb n SER 22 CO 0.00 0.00 0.00 1.87 -3.01 0.00 0.00 175.04 173.90 2khb n TRP 23 N 1.11 0.44 -0.97 1.43 -0.00 -1.26 -0.67 117.44 117.52 2khb n TRP 23 Ca 0.23 0.61 -0.22 0.00 -0.00 0.00 0.00 57.50 58.11 2khb n TRP 23 Cb 0.54 -1.20 0.14 0.00 -0.00 0.00 0.00 31.31 30.79 2khb n TRP 23 CO 0.00 0.00 0.00 -0.35 -0.00 0.00 0.00 177.69 177.34 2khb n PRO 24 N 1.02 2.15 -4.10 5.87 -0.04 -1.26 -5.07 135.00 133.56 2khb n PRO 24 Ca 0.12 -2.63 -0.15 0.00 -0.04 0.00 0.00 63.50 60.80 2khb n PRO 24 Cb 0.04 -2.03 -0.14 0.00 -0.04 0.00 0.00 33.50 31.33 2khb n PRO 24 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 2khb s VAL 25 N -3.09 0.37 0.05 0.52 -7.23 0.16 -2.04 120.40 109.15 2khb s VAL 25 Ca 0.50 -0.34 -0.25 0.00 -1.81 0.00 0.00 61.98 60.09 2khb s VAL 25 Cb 0.42 -0.34 -0.06 0.00 0.56 0.00 0.00 36.38 36.96 2khb s VAL 25 CO 0.07 0.01 0.75 0.00 -0.31 0.00 0.00 175.10 175.63 2khb s THR 27 N -0.15 0.01 -1.38 0.00 -1.32 0.65 -4.53 115.64 108.93 2khb s THR 27 Ca 0.38 -0.12 -0.14 0.00 -1.21 0.00 0.00 61.69 60.60 2khb s THR 27 Cb -0.21 -0.49 0.08 0.00 -1.51 0.00 0.00 72.50 70.38 2khb s THR 27 CO 0.23 -0.06 2.02 -1.14 -2.21 0.00 0.00 174.62 173.45 2khb n ARG 28 N 2.52 3.11 0.00 7.08 0.63 -1.26 0.20 116.66 128.94 2khb n ARG 28 Ca -0.15 -3.00 0.02 0.00 -0.92 0.00 0.00 57.85 53.80 2khb n ARG 28 Cb 0.57 -3.23 0.13 0.00 0.45 0.00 0.00 32.46 30.38 2khb n ARG 28 CO 0.00 0.00 0.00 -1.71 -2.51 0.00 0.00 177.63 173.41