#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wh9 s GLY 2 N 0.00 -0.33 -0.39 -1.84 0.00 -1.26 -5.08 107.32 98.42 2wh9 s GLY 2 Ca 0.00 1.52 0.08 0.00 0.00 0.00 0.00 44.72 46.32 2wh9 s GLY 2 CO 0.00 1.78 0.51 1.18 0.00 0.00 0.00 173.10 176.57 2wh9 n GLU 3 N 4.42 0.68 -3.95 2.90 4.71 -1.26 -5.12 120.64 123.02 2wh9 n GLU 3 Ca -0.21 -3.21 -0.23 0.00 -0.01 0.00 0.00 57.16 53.49 2wh9 n GLU 3 Cb 0.54 -1.24 -0.06 0.00 -1.01 0.00 0.00 31.44 29.68 2wh9 n GLU 3 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 2wh9 s GLY 5 N -3.97 1.34 0.00 0.00 0.00 -1.24 -4.83 107.32 98.62 2wh9 s GLY 5 Ca 0.43 -1.38 0.00 0.00 0.00 0.00 0.00 44.72 43.77 2wh9 s GLY 5 CO 0.24 2.12 0.00 0.61 0.00 0.00 0.00 173.10 176.08 2wh9 n GLY 6 N 5.19 1.14 0.18 0.20 0.00 -1.26 -3.23 105.19 107.41 2wh9 n GLY 6 Ca 0.01 -0.88 0.03 0.00 0.00 0.00 0.00 46.02 45.17 2wh9 n GLY 6 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 2wh9 h PHE 7 N 0.00 0.00 -1.00 1.61 3.57 -1.95 -3.03 116.94 116.15 2wh9 h PHE 7 Ca 0.00 0.00 -0.13 0.00 3.53 0.00 0.00 57.97 61.37 2wh9 h PHE 7 Cb 0.00 0.00 -0.17 0.00 2.79 0.00 0.00 35.95 38.57 2wh9 h PHE 7 CO 0.00 0.38 -0.48 -0.46 -2.23 0.00 0.00 178.31 175.52 2wh9 s TRP 8 N -4.11 -1.64 -0.17 0.41 -0.00 0.36 -3.87 118.94 109.93 2wh9 s TRP 8 Ca -0.02 -0.42 -0.00 0.00 -0.00 0.00 0.00 56.10 55.65 2wh9 s TRP 8 Cb 0.14 0.32 0.00 0.00 -0.00 0.00 0.00 33.47 33.93 2wh9 s TRP 8 CO 0.72 -1.26 -0.15 -1.58 -0.00 0.00 0.00 176.95 174.68 2wh9 s TRP 9 N 1.04 2.80 -0.13 5.86 0.52 -0.93 -4.75 118.94 123.35 2wh9 s TRP 9 Ca 0.28 -1.13 -0.37 0.00 0.02 0.00 0.00 56.10 54.90 2wh9 s TRP 9 Cb -0.01 -1.92 -0.14 0.00 -1.15 0.00 0.00 33.47 30.25 2wh9 s TRP 9 CO -0.05 -0.54 1.72 1.63 0.02 0.00 0.00 176.95 179.73 2wh9 n LYS 10 N 4.24 1.57 -4.43 4.98 4.01 -1.26 0.89 118.16 128.17 2wh9 n LYS 10 Ca -0.19 0.57 -0.20 0.00 -0.51 0.00 0.00 58.31 57.98 2wh9 n LYS 10 Cb 0.51 -2.31 -0.14 0.00 -0.51 0.00 0.00 35.03 32.58 2wh9 n LYS 10 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 2wh9 n GLY 12 N 2.23 -0.50 3.57 0.00 0.00 -1.26 -4.39 105.19 104.85 2wh9 n GLY 12 Ca -0.17 -0.75 -0.42 0.00 0.00 0.00 0.00 46.02 44.68 2wh9 n GLY 12 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2wh9 s SER 13 N -4.00 6.72 0.00 1.61 0.01 -1.26 -3.08 113.70 113.70 2wh9 s SER 13 Ca 0.00 -2.09 0.00 0.00 1.31 0.00 0.00 55.95 55.17 2wh9 s SER 13 Cb 0.00 -2.57 0.00 0.00 0.21 0.00 0.00 66.02 63.66 2wh9 s SER 13 CO 0.00 -1.29 0.00 0.61 0.41 0.00 0.00 173.24 172.97 2wh9 n GLY 14 N 5.93 0.89 3.82 3.44 0.00 -1.26 -5.14 105.19 112.86 2wh9 n GLY 14 Ca 0.43 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 46.21 2wh9 n GLY 14 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2wh9 s LYS 15 N 0.00 2.93 1.19 1.61 -0.14 -1.18 -5.12 119.74 119.03 2wh9 s LYS 15 Ca 0.00 -0.95 -0.18 0.00 -1.36 0.00 0.00 55.97 53.47 2wh9 s LYS 15 Cb 0.00 -2.62 0.28 0.00 -1.68 0.00 0.00 37.83 33.81 2wh9 s LYS 15 CO 0.00 0.44 1.10 -1.25 -0.76 0.00 0.00 175.35 174.88 2wh9 s PRO 16 N -3.47 -1.13 0.52 -1.68 0.04 -1.26 -4.38 135.00 123.64 2wh9 s PRO 16 Ca 0.32 0.02 -0.09 0.00 0.04 0.00 0.00 61.00 61.29 2wh9 s PRO 16 Cb -0.09 -1.60 -0.04 0.00 0.04 0.00 0.00 34.50 32.81 2wh9 s PRO 16 CO 0.24 -3.67 0.88 0.00 0.04 0.00 0.00 177.00 174.50 2wh9 s ALA 17 N -2.96 3.27 0.45 8.56 0.00 -1.26 -4.66 121.76 125.16 2wh9 s ALA 17 Ca 0.70 -0.28 -0.17 0.00 0.00 0.00 0.00 51.96 52.21 2wh9 s ALA 17 Cb -0.11 -2.81 -0.09 0.00 0.00 0.00 0.00 23.12 20.11 2wh9 s ALA 17 CO 0.56 -0.42 0.92 0.00 0.00 0.00 0.00 175.76 176.83 2wh9 h PRO 20 N -2.14 0.00 0.00 0.00 0.13 -1.96 -1.68 132.00 126.34 2wh9 h PRO 20 Ca -0.50 0.00 -0.18 0.00 -0.87 0.00 0.00 66.00 64.45 2wh9 h PRO 20 Cb 1.30 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.40 2wh9 h PRO 20 CO 0.43 0.00 -1.49 1.63 -0.23 0.00 0.00 178.00 178.34 2wh9 n LYS 21 N -2.31 0.62 -4.31 0.86 4.01 -1.26 -4.94 118.16 110.83 2wh9 n LYS 21 Ca -0.01 0.21 -0.24 0.00 -0.51 0.00 0.00 58.31 57.76 2wh9 n LYS 21 Cb 0.08 -1.79 -0.08 0.00 -0.51 0.00 0.00 35.03 32.73 2wh9 n LYS 21 CO 0.00 0.00 0.00 0.71 -1.11 0.00 0.00 177.40 177.00 2wh9 s TYR 22 N -2.89 2.57 0.06 2.13 2.02 -0.63 -4.61 117.35 116.00 2wh9 s TYR 22 Ca -0.03 -0.42 0.01 0.00 -0.37 0.00 0.00 57.07 56.26 2wh9 s TYR 22 Cb 0.09 -1.48 -0.04 0.00 -0.40 0.00 0.00 41.96 40.14 2wh9 s TYR 22 CO 0.82 0.48 -0.05 0.14 -1.57 0.00 0.00 175.55 175.36 2wh9 s VAL 23 N -2.50 0.46 -0.17 0.71 -7.23 0.44 -4.24 120.40 107.87 2wh9 s VAL 23 Ca 0.35 -1.61 -0.24 0.00 -1.81 0.00 0.00 61.98 58.66 2wh9 s VAL 23 Cb -0.01 -1.26 -0.02 0.00 0.56 0.00 0.00 36.38 35.66 2wh9 s VAL 23 CO 0.20 -0.77 0.79 0.00 -0.31 0.00 0.00 175.10 175.00 2wh9 s SER 25 N 1.15 6.13 0.03 0.00 0.01 -0.08 -4.94 113.70 116.01 2wh9 s SER 25 Ca 0.36 2.91 -0.21 0.00 1.31 0.00 0.00 55.95 60.32 2wh9 s SER 25 Cb -0.16 -2.66 -0.15 0.00 0.21 0.00 0.00 66.02 63.26 2wh9 s SER 25 CO 0.12 -1.00 1.36 1.55 0.41 0.00 0.00 173.24 175.68 2wh9 h PRO 26 N 2.64 0.29 0.17 12.44 0.13 -1.95 -3.33 132.00 142.39 2wh9 h PRO 26 Ca -0.51 -0.14 -0.23 0.00 -0.87 0.00 0.00 66.00 64.26 2wh9 h PRO 26 Cb 1.25 -0.00 0.03 0.00 0.13 0.00 0.00 31.00 32.41 2wh9 h PRO 26 CO 0.62 0.66 -0.99 -0.22 -0.23 0.00 0.00 178.00 177.85 2wh9 h LYS 27 N -0.08 0.36 -5.39 0.86 1.63 -2.00 -3.45 116.57 108.51 2wh9 h LYS 27 Ca 0.02 -0.62 -0.63 0.00 -0.85 0.00 0.00 60.65 58.58 2wh9 h LYS 27 Cb 0.59 0.23 -0.15 0.00 -0.60 0.00 0.00 32.23 32.30 2wh9 h LYS 27 CO 0.03 1.30 -0.56 -1.58 -3.45 0.00 0.00 179.45 175.18 2wh9 s TRP 28 N -2.47 3.27 -1.58 1.91 0.52 -1.25 -5.01 118.94 114.33 2wh9 s TRP 28 Ca -0.12 0.12 -0.11 0.00 0.02 0.00 0.00 56.10 56.01 2wh9 s TRP 28 Cb 0.02 -2.03 -0.06 0.00 -1.15 0.00 0.00 33.47 30.25 2wh9 s TRP 28 CO 0.86 0.24 2.78 0.41 0.02 0.00 0.00 176.95 181.27 2wh9 n GLY 29 N 3.22 4.28 2.99 0.98 0.00 -1.26 -3.16 105.19 112.24 2wh9 n GLY 29 Ca -0.17 -1.52 -0.10 0.00 0.00 0.00 0.00 46.02 44.23 2wh9 n GLY 29 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2wh9 s LEU 30 N 0.67 1.98 -0.13 0.99 1.43 -1.26 -0.17 118.68 122.19 2wh9 s LEU 30 Ca 0.64 -0.27 -0.20 0.00 -1.03 0.00 0.00 54.13 53.28 2wh9 s LEU 30 Cb 0.17 0.23 -0.04 0.00 0.03 0.00 0.00 46.19 46.58 2wh9 s LEU 30 CO -0.07 -0.23 0.57 0.00 0.23 0.00 0.00 176.35 176.86 2wh9 s ASN 32 N 0.87 -0.16 0.90 0.00 2.20 0.74 -0.49 114.94 119.00 2wh9 s ASN 32 Ca 0.29 -0.75 -0.10 0.00 -0.94 0.00 0.00 52.86 51.36 2wh9 s ASN 32 Cb -0.16 0.61 0.14 0.00 -2.00 0.00 0.00 41.25 39.83 2wh9 s ASN 32 CO 0.12 -1.15 1.13 -0.36 -2.94 0.00 0.00 177.10 173.90 2wh9 s PHE 33 N -3.96 1.77 0.02 1.54 0.40 -1.26 -0.42 117.98 116.06 2wh9 s PHE 33 Ca 0.16 1.74 -0.13 0.00 -0.60 0.00 0.00 56.93 58.10 2wh9 s PHE 33 Cb -0.02 -3.29 -0.07 0.00 0.51 0.00 0.00 43.02 40.15 2wh9 s PHE 33 CO 0.05 -2.68 1.08 -1.35 0.70 0.00 0.00 175.22 173.03 2wh9 h PRO 34 N -1.78 -0.45 -0.00 0.24 0.11 -1.93 -3.45 132.00 124.74 2wh9 h PRO 34 Ca -0.44 0.03 -0.03 0.00 0.11 0.00 0.00 66.00 65.67 2wh9 h PRO 34 Cb 1.26 0.10 -0.13 0.00 0.11 0.00 0.00 31.00 32.35 2wh9 h PRO 34 CO 0.43 -0.30 0.02 -0.12 -0.21 0.00 0.00 178.00 177.83 2wh9 n MET 35 N -3.39 0.01 0.00 1.05 0.00 -1.26 -5.12 117.12 108.41 2wh9 n MET 35 Ca -0.06 -0.52 0.10 0.00 -0.00 0.00 0.00 57.70 57.22 2wh9 n MET 35 Cb 0.19 0.02 0.57 0.00 0.00 0.00 0.00 33.22 34.00 2wh9 n MET 35 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 175.97 175.62