#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wxn n THR 2 N 0.00 3.83 -2.06 2.61 -2.24 -1.26 -4.97 114.28 110.19 1wxn n THR 2 Ca 0.00 -3.39 -0.37 0.00 -2.27 0.00 0.00 64.05 58.02 1wxn n THR 2 Cb 0.00 -2.52 0.02 0.00 -2.10 0.00 0.00 70.33 65.72 1wxn n THR 2 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1wxn s ALA 3 N 2.21 2.76 0.03 6.98 0.00 -1.26 -0.46 121.76 132.01 1wxn s ALA 3 Ca 0.47 1.05 -0.02 0.00 0.00 0.00 0.00 51.96 53.46 1wxn s ALA 3 Cb 0.13 -3.45 -0.02 0.00 0.00 0.00 0.00 23.12 19.78 1wxn s ALA 3 CO -0.06 -1.02 0.02 0.00 0.00 0.00 0.00 175.76 174.70 1wxn s SER 5 N -2.11 1.36 -0.68 0.00 0.01 -1.26 -1.24 113.70 109.77 1wxn s SER 5 Ca -0.05 -0.21 0.05 0.00 1.31 0.00 0.00 55.95 57.04 1wxn s SER 5 Cb -0.02 -0.45 0.19 0.00 0.21 0.00 0.00 66.02 65.95 1wxn s SER 5 CO -0.05 0.05 0.54 0.00 0.41 0.00 0.00 173.24 174.20 1wxn n GLY 7 N 1.76 2.60 0.20 0.00 0.00 -1.26 -1.30 105.19 107.19 1wxn n GLY 7 Ca 0.22 0.16 0.10 0.00 0.00 0.00 0.00 46.02 46.51 1wxn n GLY 7 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 1wxn h ASN 8 N 0.00 0.00 -3.11 1.61 4.21 -1.97 -3.44 115.58 112.88 1wxn h ASN 8 Ca 0.00 0.00 -0.57 0.00 1.21 0.00 0.00 56.30 56.94 1wxn h ASN 8 Cb 0.00 0.00 -0.05 0.00 -1.12 0.00 0.00 38.32 37.15 1wxn h ASN 8 CO 0.00 0.08 0.73 -0.44 -1.29 0.00 0.00 177.43 176.51 1wxn s SER 9 N -6.16 7.12 -0.01 5.81 0.01 -0.42 -4.86 113.70 115.19 1wxn s SER 9 Ca 0.06 1.53 0.06 0.00 1.31 0.00 0.00 55.95 58.91 1wxn s SER 9 Cb 0.06 -2.55 -0.03 0.00 0.21 0.00 0.00 66.02 63.71 1wxn s SER 9 CO 0.69 -0.60 -0.17 -0.54 0.41 0.00 0.00 173.24 173.03 1wxn s LYS 10 N 2.73 2.27 0.00 12.44 -0.14 -1.17 0.07 119.74 135.94 1wxn s LYS 10 Ca 0.49 -0.85 0.00 0.00 -1.36 0.00 0.00 55.97 54.25 1wxn s LYS 10 Cb -0.18 -2.26 0.00 0.00 -1.68 0.00 0.00 37.83 33.71 1wxn s LYS 10 CO 0.13 0.58 0.00 0.41 -0.76 0.00 0.00 175.35 175.71 1wxn n GLY 11 N 1.99 1.58 3.15 -3.33 0.00 -0.37 -1.09 105.19 107.12 1wxn n GLY 11 Ca -0.16 -0.24 -0.23 0.00 0.00 0.00 0.00 46.02 45.39 1wxn n GLY 11 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1wxn s ILE 12 N -0.65 1.27 -0.18 -0.61 -1.09 -0.41 -0.33 121.20 119.19 1wxn s ILE 12 Ca 0.00 -0.80 -0.06 0.00 -2.23 0.00 0.00 60.65 57.56 1wxn s ILE 12 Cb 0.00 -1.08 -0.04 0.00 -1.58 0.00 0.00 42.46 39.77 1wxn s ILE 12 CO 0.00 0.27 0.04 -0.72 -1.23 0.00 0.00 174.94 173.29 1wxn s TYR 13 N -0.51 3.18 0.07 3.97 1.13 0.39 -0.35 117.35 125.22 1wxn s TYR 13 Ca 0.05 -0.07 0.01 0.00 -1.41 0.00 0.00 57.07 55.66 1wxn s TYR 13 Cb -0.07 -2.06 -0.04 0.00 -1.10 0.00 0.00 41.96 38.69 1wxn s TYR 13 CO 0.00 0.06 0.17 -1.58 -2.51 0.00 0.00 175.55 171.69 1wxn s TRP 14 N 0.49 3.42 -0.71 -3.49 0.52 0.40 -4.75 118.94 114.82 1wxn s TRP 14 Ca 0.01 0.20 -0.27 0.00 0.02 0.00 0.00 56.10 56.06 1wxn s TRP 14 Cb -0.13 -1.72 0.03 0.00 -1.15 0.00 0.00 33.47 30.50 1wxn s TRP 14 CO 0.01 0.57 1.30 -0.06 0.02 0.00 0.00 176.95 178.80 1wxn s PHE 15 N -1.47 2.28 -0.42 -1.98 0.08 -1.26 0.19 117.98 115.40 1wxn s PHE 15 Ca 0.33 0.05 -0.21 0.00 0.12 0.00 0.00 56.93 57.22 1wxn s PHE 15 Cb -0.13 -4.59 0.03 0.00 -0.57 0.00 0.00 43.02 37.77 1wxn s PHE 15 CO 0.26 -2.04 0.56 0.66 -0.10 0.00 0.00 175.22 174.56 1wxn n TYR 16 N 9.47 -3.20 -3.93 0.36 4.01 -0.86 -4.91 117.16 118.10 1wxn n TYR 16 Ca 0.05 1.31 -0.35 0.00 -0.16 0.00 0.00 57.90 58.75 1wxn n TYR 16 Cb 0.49 -3.33 -0.14 0.00 -0.31 0.00 0.00 39.34 36.06 1wxn n TYR 16 CO 0.00 0.00 0.00 1.03 -0.46 0.00 0.00 176.86 177.43 1wxn s ARG 17 N -2.45 2.59 0.52 -0.72 1.81 -1.26 -4.97 118.95 114.46 1wxn s ARG 17 Ca 0.27 -1.15 0.31 0.00 -1.72 0.00 0.00 55.73 53.44 1wxn s ARG 17 Cb -0.05 -3.10 1.70 0.00 -0.45 0.00 0.00 34.95 33.05 1wxn s ARG 17 CO 0.78 -0.53 1.95 -1.35 -0.68 0.00 0.00 175.30 175.47 1wxn h PRO 18 N 8.00 0.00 -2.61 3.54 0.11 -1.99 -3.40 132.00 135.64 1wxn h PRO 18 Ca -0.26 0.00 -0.11 0.00 0.11 0.00 0.00 66.00 65.75 1wxn h PRO 18 Cb 1.08 0.00 -0.24 0.00 0.11 0.00 0.00 31.00 31.95 1wxn h PRO 18 CO 0.55 0.00 -0.19 -1.54 -0.21 0.00 0.00 178.00 176.61 1wxn s SER 19 N -4.47 -0.50 -0.23 -2.05 1.04 -1.26 -5.14 113.70 101.09 1wxn s SER 19 Ca -0.03 0.94 -0.18 0.00 0.48 0.00 0.00 55.95 57.15 1wxn s SER 19 Cb 0.09 0.93 -0.03 0.00 0.10 0.00 0.00 66.02 67.11 1wxn s SER 19 CO 0.29 -0.17 0.51 0.00 0.98 0.00 0.00 173.24 174.85 1wxn s PRO 21 N 1.96 4.27 -1.35 0.00 0.04 -1.26 -4.90 135.00 133.76 1wxn s PRO 21 Ca 0.22 2.00 -0.15 0.00 0.04 0.00 0.00 61.00 63.11 1wxn s PRO 21 Cb -0.15 -3.58 -0.01 0.00 0.04 0.00 0.00 34.50 30.80 1wxn s PRO 21 CO 0.09 -0.59 2.24 2.41 0.04 0.00 0.00 177.00 181.19 1wxn n THR 22 N 4.68 3.23 -0.08 1.26 -1.04 -1.26 -4.49 114.28 116.58 1wxn n THR 22 Ca 0.13 -2.70 -0.10 0.00 -2.04 0.00 0.00 64.05 59.35 1wxn n THR 22 Cb 0.43 -2.55 -0.05 0.00 -1.82 0.00 0.00 70.33 66.35 1wxn n THR 22 CO 0.00 0.00 0.00 -0.78 -0.64 0.00 0.00 175.07 173.65 1wxn h ASP 23 N 6.24 0.00 -0.36 8.00 3.58 -1.98 -3.38 116.42 128.51 1wxn h ASP 23 Ca 0.57 -0.16 -0.09 0.00 0.42 0.00 0.00 57.03 57.77 1wxn h ASP 23 Cb 0.60 0.00 -0.05 0.00 1.72 0.00 0.00 39.33 41.60 1wxn h ASP 23 CO 1.88 0.97 0.11 0.54 -2.88 0.00 0.00 179.24 179.87 1wxn n ARG 24 N -4.57 2.49 -2.29 0.28 1.74 -1.26 -4.85 116.66 108.20 1wxn n ARG 24 Ca -0.15 -1.55 -0.14 0.00 -0.77 0.00 0.00 57.85 55.25 1wxn n ARG 24 Cb 0.38 -1.78 -0.01 0.00 -1.02 0.00 0.00 32.46 30.03 1wxn n ARG 24 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1wxn n GLY 25 N 0.09 -0.25 2.23 -0.13 0.00 -1.26 -4.76 105.19 101.11 1wxn n GLY 25 Ca 0.19 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.83 1wxn n GLY 25 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1wxn n TYR 26 N -3.29 0.54 0.06 1.61 4.01 -1.26 -4.81 117.16 114.01 1wxn n TYR 26 Ca -0.16 0.68 -0.22 0.00 -0.16 0.00 0.00 57.90 58.03 1wxn n TYR 26 Cb 0.60 -1.33 -0.15 0.00 -0.31 0.00 0.00 39.34 38.16 1wxn n TYR 26 CO 0.00 0.00 0.00 1.15 -0.46 0.00 0.00 176.86 177.55 1wxn h THR 27 N 2.12 1.21 -3.16 -0.72 2.02 -1.23 -3.45 112.91 109.69 1wxn h THR 27 Ca -0.31 -2.52 -0.39 0.00 0.77 0.00 0.00 66.41 63.96 1wxn h THR 27 Cb 0.89 2.93 -0.14 0.00 -1.74 0.00 0.00 68.15 70.09 1wxn h THR 27 CO 0.45 0.75 -0.70 -0.83 0.37 0.00 0.00 175.52 175.56 1wxn s GLY 28 N -4.76 1.38 -0.47 2.16 0.00 0.66 -4.99 107.32 101.30 1wxn s GLY 28 Ca -0.15 -1.66 0.04 0.00 0.00 0.00 0.00 44.72 42.94 1wxn s GLY 28 CO 0.83 -1.68 0.36 -0.56 0.00 0.00 0.00 173.10 172.05 1wxn s SER 29 N -3.28 2.39 0.18 1.64 0.01 -1.24 -0.65 113.70 112.74 1wxn s SER 29 Ca 0.23 -3.15 -0.30 0.00 1.31 0.00 0.00 55.95 54.04 1wxn s SER 29 Cb 0.03 -0.72 -0.08 0.00 0.21 0.00 0.00 66.02 65.46 1wxn s SER 29 CO 0.06 -0.17 1.07 0.00 0.41 0.00 0.00 173.24 174.61 1wxn s ARG 31 N -0.42 3.25 0.69 0.00 3.00 -1.26 0.57 118.95 124.78 1wxn s ARG 31 Ca 0.48 -0.42 -0.11 0.00 -1.00 0.00 0.00 55.73 54.68 1wxn s ARG 31 Cb -0.28 -4.51 0.00 0.00 0.00 0.00 0.00 34.95 30.16 1wxn s ARG 31 CO 0.34 -2.22 1.08 -0.47 0.00 0.00 0.00 175.30 174.03 1wxn s TYR 32 N 5.79 3.38 0.41 5.12 5.04 0.18 -4.92 117.35 132.35 1wxn s TYR 32 Ca 0.40 1.13 0.16 0.00 -2.44 0.00 0.00 57.07 56.33 1wxn s TYR 32 Cb -0.06 -2.97 1.05 0.00 0.35 0.00 0.00 41.96 40.33 1wxn s TYR 32 CO 0.09 -1.08 1.84 0.35 -1.34 0.00 0.00 175.55 175.41 1wxn h PHE 33 N -0.58 0.60 -0.15 4.97 3.57 -2.00 -1.40 116.94 121.95 1wxn h PHE 33 Ca -0.45 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.07 1wxn h PHE 33 Cb 1.23 -0.18 0.00 0.00 2.79 0.00 0.00 35.95 39.79 1wxn h PHE 33 CO 0.55 0.15 0.00 1.28 -2.23 0.00 0.00 178.31 178.06 1wxn n LEU 34 N -4.54 2.94 0.00 0.59 7.99 -1.26 -5.06 117.00 117.66 1wxn n LEU 34 Ca 0.20 -2.71 0.00 0.00 -0.01 0.00 0.00 56.01 53.49 1wxn n LEU 34 Cb 0.70 -0.37 0.00 0.00 -0.11 0.00 0.00 43.42 43.64 1wxn n LEU 34 CO 0.29 0.67 0.00 0.61 -1.51 0.00 0.00 177.39 177.45 1wxn n GLY 35 N -0.64 -0.43 3.18 -0.72 0.00 -0.53 -2.03 105.19 104.03 1wxn n GLY 35 Ca 0.15 -0.60 -0.34 0.00 0.00 0.00 0.00 46.02 45.22 1wxn n GLY 35 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1wxn s THR 36 N -4.00 2.88 -0.93 2.61 2.01 0.13 0.52 115.64 118.86 1wxn s THR 36 Ca 0.00 -1.21 -0.24 0.00 0.31 0.00 0.00 61.69 60.54 1wxn s THR 36 Cb 0.00 -2.56 0.04 0.00 0.01 0.00 0.00 72.50 69.99 1wxn s THR 36 CO 0.00 0.05 1.41 0.00 -0.69 0.00 0.00 174.62 175.40 1wxn s THR 39 N 5.21 1.36 0.00 0.00 -4.23 0.18 -1.29 115.64 116.87 1wxn s THR 39 Ca 0.44 -1.02 0.00 0.00 -1.18 0.00 0.00 61.69 59.93 1wxn s THR 39 Cb -0.08 -1.62 0.00 0.00 1.34 0.00 0.00 72.50 72.14 1wxn s THR 39 CO 0.25 -0.04 0.00 -0.81 -0.54 0.00 0.00 174.62 173.47 1wxn n PRO 40 N 4.75 0.00 -0.82 3.99 -0.04 -0.96 -0.25 135.00 141.67 1wxn n PRO 40 Ca -0.12 0.00 -0.05 0.00 -0.04 0.00 0.00 63.50 63.29 1wxn n PRO 40 Cb 0.45 -0.10 -0.05 0.00 -0.04 0.00 0.00 33.50 33.77 1wxn n PRO 40 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1wxn n ALA 41 N -1.89 2.89 -1.74 0.55 0.00 -0.64 -3.06 120.51 116.61 1wxn n ALA 41 Ca 0.00 -0.46 0.00 0.00 0.00 0.00 0.00 53.44 52.98 1wxn n ALA 41 Cb 0.00 -0.24 0.00 0.00 0.00 0.00 0.00 19.45 19.21 1wxn n ALA 41 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03