#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 4.07 -2.64 2.61 -2.24 -1.26 -4.98 114.28 109.84 1wxn n THR 2 Ca 0.00 -4.23 -0.33 0.00 -2.27 0.00 0.00 64.05 57.22 1wxn n THR 2 Cb 0.00 -2.43 -0.05 0.00 -2.10 0.00 0.00 70.33 65.75 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 2.26 3.00 -0.03 6.98 0.00 -1.26 -0.98 121.76 131.73 1wxn s ALA 3 Ca 0.46 0.39 -0.15 0.00 0.00 0.00 0.00 51.96 52.66 1wxn s ALA 3 Cb 0.04 -3.16 0.03 0.00 0.00 0.00 0.00 23.12 20.02 1wxn s ALA 3 CO 0.01 -0.07 0.32 0.00 0.00 0.00 0.00 175.76 176.02 1wxn s SER 5 N -1.14 2.41 -0.82 0.00 0.01 -1.26 -1.24 113.70 111.66 1wxn s SER 5 Ca -0.12 -0.41 0.02 0.00 1.31 0.00 0.00 55.95 56.74 1wxn s SER 5 Cb -0.05 -1.06 0.25 0.00 0.21 0.00 0.00 66.02 65.37 1wxn s SER 5 CO 0.04 -0.02 0.91 0.00 0.41 0.00 0.00 173.24 174.58 1wxn n GLY 7 N 1.43 2.04 0.16 0.00 0.00 -1.26 -1.24 105.19 106.32 1wxn n GLY 7 Ca 0.26 0.19 0.06 0.00 0.00 0.00 0.00 46.02 46.53 1wxn n GLY 7 CO 0.00 0.00 0.00 -0.57 0.00 0.00 0.00 173.32 172.75 1wxn h ASN 8 N 0.00 0.00 -3.11 1.61 -1.24 -1.96 -3.42 115.58 107.46 1wxn h ASN 8 Ca 0.00 0.00 -0.59 0.00 0.71 0.00 0.00 56.30 56.42 1wxn h ASN 8 Cb 0.00 0.00 -0.11 0.00 0.73 0.00 0.00 38.32 38.94 1wxn h ASN 8 CO 0.00 0.30 0.71 -0.44 -1.29 0.00 0.00 177.43 176.72 1wxn s SER 9 N -6.27 6.35 -0.06 1.15 0.01 -0.37 -4.82 113.70 109.68 1wxn s SER 9 Ca 0.04 -0.27 0.04 0.00 1.31 0.00 0.00 55.95 57.08 1wxn s SER 9 Cb 0.07 -2.48 -0.02 0.00 0.21 0.00 0.00 66.02 63.80 1wxn s SER 9 CO 0.73 -1.35 -0.19 -0.54 0.41 0.00 0.00 173.24 172.29 1wxn s LYS 10 N 4.36 2.64 0.00 12.44 1.02 -1.02 0.47 119.74 139.64 1wxn s LYS 10 Ca 0.34 -0.79 0.00 0.00 0.02 0.00 0.00 55.97 55.54 1wxn s LYS 10 Cb -0.11 -2.31 0.00 0.00 -0.52 0.00 0.00 37.83 34.89 1wxn s LYS 10 CO 0.20 0.46 0.00 0.41 -0.92 0.00 0.00 175.35 175.50 1wxn n GLY 11 N 2.76 1.71 3.21 -3.33 0.00 -0.37 -1.04 105.19 108.13 1wxn n GLY 11 Ca -0.17 0.06 -0.30 0.00 0.00 0.00 0.00 46.02 45.61 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 0.88 1.85 -0.10 -0.61 -1.09 -0.58 -0.66 121.20 120.87 1wxn s ILE 12 Ca 0.00 -0.93 -0.11 0.00 -2.23 0.00 0.00 60.65 57.38 1wxn s ILE 12 Cb 0.00 -1.58 -0.05 0.00 -1.58 0.00 0.00 42.46 39.25 1wxn s ILE 12 CO 0.00 0.52 0.24 -0.72 -1.23 0.00 0.00 174.94 173.75 1wxn s TYR 13 N 0.09 3.59 0.22 3.97 1.13 -0.15 -0.65 117.35 125.56 1wxn s TYR 13 Ca -0.09 0.65 0.05 0.00 -1.41 0.00 0.00 57.07 56.27 1wxn s TYR 13 Cb -0.15 -2.13 -0.03 0.00 -1.10 0.00 0.00 41.96 38.55 1wxn s TYR 13 CO 0.05 0.58 0.33 -1.58 -2.51 0.00 0.00 175.55 172.42 1wxn s TRP 14 N -0.64 3.43 0.00 -3.49 0.52 0.13 -4.82 118.94 114.06 1wxn s TRP 14 Ca 0.17 -0.00 0.00 0.00 0.02 0.00 0.00 56.10 56.29 1wxn s TRP 14 Cb -0.13 -1.57 0.00 0.00 -1.15 0.00 0.00 33.47 30.61 1wxn s TRP 14 CO 0.06 0.46 0.00 1.19 0.02 0.00 0.00 176.95 178.68 1wxn n PHE 15 N -1.24 0.00 -1.57 -1.98 3.72 -1.26 0.18 117.46 115.31 1wxn n PHE 15 Ca -0.09 0.00 -0.13 0.00 -0.05 0.00 0.00 57.45 57.18 1wxn n PHE 15 Cb 0.57 0.00 -0.08 0.00 -0.94 0.00 0.00 39.48 39.02 1wxn n PHE 15 CO 0.00 0.00 0.00 0.71 -0.05 0.00 0.00 176.76 177.42 1wxn s TYR 16 N 0.23 1.13 -0.30 1.38 1.51 -1.22 -4.16 117.35 115.92 1wxn s TYR 16 Ca 0.00 2.13 -0.01 0.00 -1.01 0.00 0.00 57.07 58.18 1wxn s TYR 16 Cb 0.00 -3.39 0.13 0.00 -0.11 0.00 0.00 41.96 38.60 1wxn s TYR 16 CO 0.00 -1.34 0.28 1.03 -1.11 0.00 0.00 175.55 174.41 1wxn s ARG 17 N 8.85 0.34 0.27 -0.62 0.52 -1.26 -5.04 118.95 122.01 1wxn s ARG 17 Ca 0.90 -0.29 0.19 0.00 -0.52 0.00 0.00 55.73 56.01 1wxn s ARG 17 Cb -0.11 -0.75 1.00 0.00 0.52 0.00 0.00 34.95 35.61 1wxn s ARG 17 CO 0.11 -1.05 1.58 -0.35 0.02 0.00 0.00 175.30 175.61 1wxn n PRO 18 N 5.18 0.13 -3.79 3.54 -0.04 -1.26 -3.96 135.00 134.79 1wxn n PRO 18 Ca -0.01 0.59 -0.34 0.00 -0.04 0.00 0.00 63.50 63.70 1wxn n PRO 18 Cb 0.45 -1.89 -0.11 0.00 -0.04 0.00 0.00 33.50 31.92 1wxn n PRO 18 CO 0.00 0.00 0.00 -1.12 -0.04 0.00 0.00 175.50 174.34 1wxn s SER 19 N -3.91 5.00 0.03 3.54 0.01 -1.26 -5.07 113.70 112.04 1wxn s SER 19 Ca -0.01 -3.03 -0.22 0.00 1.31 0.00 0.00 55.95 54.00 1wxn s SER 19 Cb 0.06 -1.79 -0.06 0.00 0.21 0.00 0.00 66.02 64.44 1wxn s SER 19 CO 0.19 -0.30 0.67 0.00 0.41 0.00 0.00 173.24 174.22 1wxn n PRO 21 N 2.58 2.19 0.00 0.00 -0.02 -1.26 -4.77 135.00 133.72 1wxn n PRO 21 Ca -0.05 -2.75 0.00 0.00 -2.02 0.00 0.00 63.50 58.68 1wxn n PRO 21 Cb 0.50 -3.63 0.00 0.00 -0.02 0.00 0.00 33.50 30.36 1wxn n PRO 21 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 1wxn n THR 22 N 7.23 0.00 -0.97 3.45 -2.24 -1.26 -2.85 114.28 117.63 1wxn n THR 22 Ca 0.47 0.00 0.01 0.00 -2.27 0.00 0.00 64.05 62.26 1wxn n THR 22 Cb 0.46 -0.24 0.36 0.00 -2.10 0.00 0.00 70.33 68.81 1wxn n THR 22 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 1wxn n ASP 23 N -0.24 5.36 -1.90 3.42 8.00 -1.26 -4.27 116.55 125.65 1wxn n ASP 23 Ca 0.00 -3.07 -0.22 0.00 0.71 0.00 0.00 54.79 52.21 1wxn n ASP 23 Cb 0.11 -0.71 0.08 0.00 -0.02 0.00 0.00 41.12 40.58 1wxn n ASP 23 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 1wxn n ARG 24 N 0.27 2.93 0.00 -1.24 1.74 -1.13 -4.88 116.66 114.34 1wxn n ARG 24 Ca 0.34 -3.70 0.00 0.00 -0.77 0.00 0.00 57.85 53.72 1wxn n ARG 24 Cb 1.29 -2.17 0.00 0.00 -1.02 0.00 0.00 32.46 30.56 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 -0.87 2.73 3.69 -0.13 0.00 -1.26 -4.94 105.19 104.42 1wxn n GLY 25 Ca 0.47 0.00 -0.54 0.00 0.00 0.00 0.00 46.02 45.94 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 -2.00 2.13 -0.06 1.61 4.01 -1.26 -4.47 117.16 117.12 1wxn n TYR 26 Ca 0.00 0.35 -0.11 0.00 -0.16 0.00 0.00 57.90 57.99 1wxn n TYR 26 Cb 0.00 -2.53 -0.15 0.00 -0.31 0.00 0.00 39.34 36.35 1wxn n TYR 26 CO 0.00 0.00 0.00 2.41 -0.46 0.00 0.00 176.86 178.81 1wxn n THR 27 N 4.88 1.52 -4.41 -0.72 -1.04 0.19 -4.82 114.28 109.88 1wxn n THR 27 Ca 0.26 -0.80 -0.22 0.00 -2.04 0.00 0.00 64.05 61.25 1wxn n THR 27 Cb 0.18 -0.86 -0.13 0.00 -1.82 0.00 0.00 70.33 67.70 1wxn n THR 27 CO 0.00 0.00 0.00 -0.83 -0.64 0.00 0.00 175.07 173.60 1wxn s GLY 28 N -5.40 0.95 -0.41 3.41 0.00 0.94 -4.99 107.32 101.80 1wxn s GLY 28 Ca -0.10 -0.96 0.02 0.00 0.00 0.00 0.00 44.72 43.67 1wxn s GLY 28 CO 0.81 -0.93 0.20 -0.45 0.00 0.00 0.00 173.10 172.73 1wxn s SER 29 N -1.30 3.80 0.24 1.64 0.15 -1.24 -0.61 113.70 116.38 1wxn s SER 29 Ca 0.03 -2.44 0.06 0.00 0.70 0.00 0.00 55.95 54.31 1wxn s SER 29 Cb -0.09 -1.06 -0.03 0.00 -1.71 0.00 0.00 66.02 63.13 1wxn s SER 29 CO 0.02 -0.30 0.25 0.00 1.20 0.00 0.00 173.24 174.41 1wxn s ARG 31 N -3.85 4.46 0.27 0.00 6.06 -1.26 0.72 118.95 125.35 1wxn s ARG 31 Ca 0.33 0.98 0.11 0.00 -2.50 0.00 0.00 55.73 54.66 1wxn s ARG 31 Cb -0.08 -3.41 -0.05 0.00 0.06 0.00 0.00 34.95 31.46 1wxn s ARG 31 CO 0.26 0.15 -0.14 -0.47 -2.50 0.00 0.00 175.30 172.60 1wxn s TYR 32 N 0.47 2.42 0.55 5.12 5.04 0.11 -4.81 117.35 126.25 1wxn s TYR 32 Ca 0.39 -0.30 0.27 0.00 -2.44 0.00 0.00 57.07 54.99 1wxn s TYR 32 Cb -0.19 -1.06 1.45 0.00 0.35 0.00 0.00 41.96 42.51 1wxn s TYR 32 CO 0.21 0.68 1.97 0.74 -1.34 0.00 0.00 175.55 177.81 1wxn h PHE 33 N 2.18 0.00 -0.01 4.97 0.04 -1.98 -1.17 116.94 120.97 1wxn h PHE 33 Ca -0.41 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.36 1wxn h PHE 33 Cb 1.26 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.41 1wxn h PHE 33 CO 0.77 0.00 -0.20 1.28 -0.60 0.00 0.00 178.31 179.56 1wxn n LEU 34 N -4.20 1.51 0.00 1.54 7.99 -1.26 -5.08 117.00 117.50 1wxn n LEU 34 Ca 0.10 -0.82 0.00 0.00 -0.01 0.00 0.00 56.01 55.29 1wxn n LEU 34 Cb 0.65 0.00 0.00 0.00 -0.11 0.00 0.00 43.42 43.96 1wxn n LEU 34 CO 0.35 0.29 0.00 0.61 -1.51 0.00 0.00 177.39 177.13 1wxn n GLY 35 N 0.92 -0.57 2.98 -0.72 0.00 -0.44 -3.42 105.19 103.93 1wxn n GLY 35 Ca 0.06 0.04 -0.27 0.00 0.00 0.00 0.00 46.02 45.84 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 -0.55 1.21 -0.50 2.61 2.01 0.13 0.10 115.64 120.65 1wxn s THR 36 Ca 0.00 -0.45 -0.29 0.00 0.31 0.00 0.00 61.69 61.27 1wxn s THR 36 Cb 0.00 -1.16 0.03 0.00 0.01 0.00 0.00 72.50 71.38 1wxn s THR 36 CO 0.00 0.39 1.19 0.00 -0.69 0.00 0.00 174.62 175.51 1wxn s THR 39 N 2.03 2.01 0.00 0.00 -4.23 0.22 -1.53 115.64 114.14 1wxn s THR 39 Ca 0.11 -1.37 0.00 0.00 -1.18 0.00 0.00 61.69 59.26 1wxn s THR 39 Cb -0.23 -2.07 0.00 0.00 1.34 0.00 0.00 72.50 71.55 1wxn s THR 39 CO 0.02 0.11 0.00 -0.81 -0.54 0.00 0.00 174.62 173.40 1wxn n PRO 40 N 4.53 0.00 -1.10 3.99 -0.04 -1.15 -0.04 135.00 141.18 1wxn n PRO 40 Ca -0.15 0.00 -0.03 0.00 -0.04 0.00 0.00 63.50 63.28 1wxn n PRO 40 Cb 0.44 -0.03 -0.01 0.00 -0.04 0.00 0.00 33.50 33.87 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 -2.45 1.08 -1.57 0.55 0.00 -0.21 -2.44 120.51 115.47 1wxn n ALA 41 Ca 0.00 -0.40 0.00 0.00 0.00 0.00 0.00 53.44 53.04 1wxn n ALA 41 Cb 0.00 -0.39 0.00 0.00 0.00 0.00 0.00 19.45 19.06 1wxn n ALA 41 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03