#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 0.90 -0.46 -1.84 0.00 -1.26 -5.01 107.32 99.64 2wh9 s GLY 2 Ca 0.00 -0.62 0.03 0.00 0.00 0.00 0.00 44.72 44.13 2wh9 s GLY 2 CO 0.00 -0.21 1.91 1.18 0.00 0.00 0.00 173.10 175.98 2wh9 n GLU 3 N 3.36 2.27 -2.23 2.90 -0.58 -1.26 -4.97 120.64 120.12 2wh9 n GLU 3 Ca -0.19 -2.97 -0.26 0.00 -0.42 0.00 0.00 57.16 53.32 2wh9 n GLU 3 Cb 0.53 -2.16 0.06 0.00 -0.57 0.00 0.00 31.44 29.29 2wh9 n GLU 3 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2wh9 s GLY 5 N -4.45 1.56 0.00 0.00 0.00 -1.19 -4.88 107.32 98.36 2wh9 s GLY 5 Ca 0.58 -0.20 0.00 0.00 0.00 0.00 0.00 44.72 45.11 2wh9 s GLY 5 CO 0.45 2.17 0.00 0.61 0.00 0.00 0.00 173.10 176.33 2wh9 n GLY 6 N 4.06 1.14 0.17 0.20 0.00 -1.26 -3.49 105.19 106.00 2wh9 n GLY 6 Ca 0.10 -0.78 0.03 0.00 0.00 0.00 0.00 46.02 45.36 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 -1.09 1.61 3.57 -1.93 -3.08 116.94 116.02 2wh9 h PHE 7 Ca 0.00 0.00 -0.19 0.00 3.53 0.00 0.00 57.97 61.31 2wh9 h PHE 7 Cb 0.00 0.00 -0.18 0.00 2.79 0.00 0.00 35.95 38.56 2wh9 h PHE 7 CO 0.00 0.45 -0.53 1.87 -2.23 0.00 0.00 178.31 177.87 2wh9 n TRP 8 N -3.80 -3.57 -4.02 0.41 -0.00 0.40 -3.79 117.44 103.07 2wh9 n TRP 8 Ca -0.01 -1.55 -0.34 0.00 -0.00 0.00 0.00 57.50 55.60 2wh9 n TRP 8 Cb 0.50 1.38 -0.15 0.00 -0.00 0.00 0.00 31.31 33.04 2wh9 n TRP 8 CO 0.00 0.00 0.00 -1.58 -0.00 0.00 0.00 177.69 176.11 2wh9 s TRP 9 N 0.79 2.87 -0.14 5.87 0.52 -0.93 -4.76 118.94 123.15 2wh9 s TRP 9 Ca 0.30 -1.35 -0.37 0.00 0.02 0.00 0.00 56.10 54.70 2wh9 s TRP 9 Cb 0.01 -2.00 -0.14 0.00 -1.15 0.00 0.00 33.47 30.18 2wh9 s TRP 9 CO -0.07 -0.70 1.73 1.63 0.02 0.00 0.00 176.95 179.56 2wh9 n LYS 10 N 4.70 1.56 -4.39 4.98 4.76 -1.26 0.98 118.16 129.48 2wh9 n LYS 10 Ca -0.20 0.57 -0.19 0.00 -2.87 0.00 0.00 58.31 55.62 2wh9 n LYS 10 Cb 0.50 -2.31 -0.14 0.00 -1.84 0.00 0.00 35.03 31.24 2wh9 n LYS 10 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2wh9 n GLY 12 N 2.47 -0.19 3.56 0.00 0.00 -1.26 -4.31 105.19 105.47 2wh9 n GLY 12 Ca -0.15 -0.64 -0.41 0.00 0.00 0.00 0.00 46.02 44.81 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 6.54 0.00 1.61 0.01 -1.26 -3.23 113.70 113.37 2wh9 s SER 13 Ca 0.00 -1.56 0.00 0.00 1.31 0.00 0.00 55.95 55.70 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 -1.47 0.00 0.61 0.41 0.00 0.00 173.24 172.79 2wh9 n GLY 14 N 6.72 1.96 3.45 3.44 0.00 -1.26 -5.14 105.19 114.35 2wh9 n GLY 14 Ca 0.35 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.27 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 -0.11 1.32 0.60 1.61 -0.14 -1.20 -5.06 119.74 116.77 2wh9 s LYS 15 Ca 0.00 -1.15 -0.07 0.00 -1.36 0.00 0.00 55.97 53.39 2wh9 s LYS 15 Cb 0.00 0.43 0.00 0.00 -1.68 0.00 0.00 37.83 36.58 2wh9 s LYS 15 CO 0.00 -0.52 0.93 -1.25 -0.76 0.00 0.00 175.35 173.75 2wh9 s PRO 16 N -3.97 2.99 0.67 -1.68 0.05 -1.26 -4.55 135.00 127.25 2wh9 s PRO 16 Ca 0.18 0.13 -0.11 0.00 0.05 0.00 0.00 61.00 61.25 2wh9 s PRO 16 Cb 0.01 -2.23 -0.01 0.00 0.05 0.00 0.00 34.50 32.33 2wh9 s PRO 16 CO 0.03 -0.71 1.07 0.00 0.05 0.00 0.00 177.00 177.44 2wh9 s ALA 17 N -3.05 2.97 0.32 8.56 0.00 -1.26 -4.66 121.76 124.64 2wh9 s ALA 17 Ca 0.54 -0.25 -0.14 0.00 0.00 0.00 0.00 51.96 52.11 2wh9 s ALA 17 Cb -0.11 -3.05 -0.09 0.00 0.00 0.00 0.00 23.12 19.88 2wh9 s ALA 17 CO 0.47 -0.97 0.72 0.00 0.00 0.00 0.00 175.76 175.97 2wh9 h PRO 20 N -2.71 0.00 0.19 0.00 0.11 -1.97 -1.90 132.00 125.72 2wh9 h PRO 20 Ca -0.62 0.00 -0.34 0.00 0.11 0.00 0.00 66.00 65.15 2wh9 h PRO 20 Cb 1.34 0.00 0.02 0.00 0.11 0.00 0.00 31.00 32.46 2wh9 h PRO 20 CO 0.50 0.00 -1.63 0.87 -0.21 0.00 0.00 178.00 177.53 2wh9 h LYS 21 N 0.00 0.41 -6.52 1.05 1.79 -1.93 -3.47 116.57 107.90 2wh9 h LYS 21 Ca 0.05 -0.70 -0.45 0.00 -2.18 0.00 0.00 60.65 57.37 2wh9 h LYS 21 Cb 0.40 0.26 0.02 0.00 -1.58 0.00 0.00 32.23 31.34 2wh9 h LYS 21 CO -0.00 1.34 -0.19 0.71 -1.08 0.00 0.00 179.45 180.22 2wh9 s TYR 22 N -2.57 2.21 0.14 -1.35 1.51 -0.71 -4.55 117.35 112.03 2wh9 s TYR 22 Ca -0.15 -0.54 -0.20 0.00 -1.01 0.00 0.00 57.07 55.17 2wh9 s TYR 22 Cb 0.05 -2.30 0.05 0.00 -0.11 0.00 0.00 41.96 39.65 2wh9 s TYR 22 CO 0.86 -0.72 0.51 0.14 -1.11 0.00 0.00 175.55 175.24 2wh9 s VAL 23 N -2.49 0.03 -0.26 0.71 -7.23 -0.86 -4.19 120.40 106.11 2wh9 s VAL 23 Ca 0.58 -0.25 -0.29 0.00 -1.81 0.00 0.00 61.98 60.21 2wh9 s VAL 23 Cb -0.08 -1.07 0.01 0.00 0.56 0.00 0.00 36.38 35.80 2wh9 s VAL 23 CO 0.35 -0.14 1.05 0.00 -0.31 0.00 0.00 175.10 176.06 2wh9 n SER 25 N 6.51 2.88 0.06 0.00 7.64 -0.52 -4.92 113.62 125.29 2wh9 n SER 25 Ca 0.12 1.13 -0.06 0.00 1.01 0.00 0.00 58.87 61.07 2wh9 n SER 25 Cb 0.46 -1.54 0.11 0.00 -1.01 0.00 0.00 64.21 62.24 2wh9 n SER 25 CO 0.00 0.00 0.00 1.55 -3.01 0.00 0.00 175.04 173.58 2wh9 h PRO 26 N 2.24 0.33 0.11 1.43 0.13 -1.92 -3.31 132.00 131.01 2wh9 h PRO 26 Ca -0.49 -0.21 -0.32 0.00 -0.87 0.00 0.00 66.00 64.11 2wh9 h PRO 26 Cb 1.28 0.03 -0.01 0.00 0.13 0.00 0.00 31.00 32.42 2wh9 h PRO 26 CO 0.61 0.81 -1.70 -0.22 -0.23 0.00 0.00 178.00 177.26 2wh9 h LYS 27 N 0.25 0.23 -6.27 0.86 3.64 -1.95 -3.47 116.57 109.86 2wh9 h LYS 27 Ca 0.00 -0.39 -0.67 0.00 -1.27 0.00 0.00 60.65 58.33 2wh9 h LYS 27 Cb 1.07 0.14 -0.15 0.00 -0.41 0.00 0.00 32.23 32.88 2wh9 h LYS 27 CO 0.09 1.19 -0.68 -1.58 -2.27 0.00 0.00 179.45 176.20 2wh9 s TRP 28 N -2.51 2.96 -1.37 1.91 0.52 -1.24 -5.03 118.94 114.18 2wh9 s TRP 28 Ca -0.22 -0.00 -0.06 0.00 0.02 0.00 0.00 56.10 55.83 2wh9 s TRP 28 Cb 0.06 -1.61 0.09 0.00 -1.15 0.00 0.00 33.47 30.86 2wh9 s TRP 28 CO 0.74 0.43 2.46 0.41 0.02 0.00 0.00 176.95 181.01 2wh9 n GLY 29 N 1.25 5.05 3.07 0.98 0.00 -1.26 -3.17 105.19 111.11 2wh9 n GLY 29 Ca -0.14 -1.97 -0.09 0.00 0.00 0.00 0.00 46.02 43.82 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 -1.70 1.97 -0.23 0.99 1.02 -1.26 -0.19 118.68 119.29 2wh9 s LEU 30 Ca 0.56 -0.53 -0.18 0.00 0.02 0.00 0.00 54.13 53.99 2wh9 s LEU 30 Cb 0.18 0.42 -0.03 0.00 0.02 0.00 0.00 46.19 46.79 2wh9 s LEU 30 CO -0.09 -0.44 0.53 0.00 0.02 0.00 0.00 176.35 176.37 2wh9 n ASN 32 N 5.15 -1.10 -4.69 0.00 0.23 -0.72 -0.45 115.26 113.68 2wh9 n ASN 32 Ca -0.04 -2.39 -0.33 0.00 -0.53 0.00 0.00 54.58 51.29 2wh9 n ASN 32 Cb 0.50 2.01 0.14 0.00 -2.08 0.00 0.00 39.78 40.35 2wh9 n ASN 32 CO 0.00 0.00 0.00 -0.36 -0.93 0.00 0.00 177.26 175.97 2wh9 s PHE 33 N -3.51 1.72 -0.25 -2.53 0.08 -1.26 -2.03 117.98 110.19 2wh9 s PHE 33 Ca 0.21 1.71 -0.36 0.00 0.12 0.00 0.00 56.93 58.61 2wh9 s PHE 33 Cb -0.01 -3.46 -0.12 0.00 -0.57 0.00 0.00 43.02 38.86 2wh9 s PHE 33 CO 0.15 -2.89 1.98 -2.30 -0.10 0.00 0.00 175.22 172.07 2wh9 n PRO 34 N -3.58 1.47 -3.23 0.24 -0.02 -1.26 -4.82 135.00 123.81 2wh9 n PRO 34 Ca 0.13 0.49 -0.09 0.00 -2.02 0.00 0.00 63.50 62.01 2wh9 n PRO 34 Cb 0.51 -2.46 -0.04 0.00 -0.02 0.00 0.00 33.50 31.49 2wh9 n PRO 34 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2wh9 s MET 35 N 4.90 0.78 0.00 -0.52 0.23 -1.26 -5.16 119.30 118.27 2wh9 s MET 35 Ca 1.01 -0.76 0.00 0.00 -1.03 0.00 0.00 55.69 54.92 2wh9 s MET 35 Cb -0.84 -0.38 0.00 0.00 -1.53 0.00 0.00 34.83 32.08 2wh9 s MET 35 CO 0.54 -1.23 0.33 -2.30 -2.03 0.00 0.00 175.02 170.34