#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 3.59 -2.12 2.61 -2.24 -1.26 -4.96 114.28 109.91 1wxn n THR 2 Ca 0.00 -3.31 -0.40 0.00 -2.27 0.00 0.00 64.05 58.07 1wxn n THR 2 Cb 0.00 -2.54 -0.02 0.00 -2.10 0.00 0.00 70.33 65.67 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 3.39 3.38 0.00 6.98 0.00 -1.26 -1.40 121.76 132.85 1wxn s ALA 3 Ca 0.49 1.22 -0.09 0.00 0.00 0.00 0.00 51.96 53.58 1wxn s ALA 3 Cb 0.11 -3.47 0.00 0.00 0.00 0.00 0.00 23.12 19.77 1wxn s ALA 3 CO -0.05 -0.69 0.17 0.00 0.00 0.00 0.00 175.76 175.19 1wxn s SER 5 N -1.41 1.60 -0.69 0.00 0.01 -1.26 -1.04 113.70 110.90 1wxn s SER 5 Ca -0.14 -0.25 0.05 0.00 1.31 0.00 0.00 55.95 56.92 1wxn s SER 5 Cb -0.07 -0.25 0.21 0.00 0.21 0.00 0.00 66.02 66.12 1wxn s SER 5 CO 0.02 0.15 0.65 0.00 0.41 0.00 0.00 173.24 174.47 1wxn n GLY 7 N 1.42 0.62 0.13 0.00 0.00 -1.26 -1.29 105.19 104.81 1wxn n GLY 7 Ca 0.25 0.53 -0.20 0.00 0.00 0.00 0.00 46.02 46.60 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 0.65 -3.67 1.61 2.35 -2.00 -3.46 115.58 111.06 1wxn h ASN 8 Ca 0.00 -0.67 -0.50 0.00 -0.55 0.00 0.00 56.30 54.57 1wxn h ASN 8 Cb 0.00 -0.21 -0.02 0.00 0.05 0.00 0.00 38.32 38.14 1wxn h ASN 8 CO 0.00 1.52 0.36 -0.55 -1.65 0.00 0.00 177.43 177.11 1wxn s SER 9 N -7.35 7.56 0.00 5.81 0.15 -0.41 -5.01 113.70 114.45 1wxn s SER 9 Ca -0.07 1.90 0.01 0.00 0.70 0.00 0.00 55.95 58.49 1wxn s SER 9 Cb 0.06 -2.60 -0.00 0.00 -1.71 0.00 0.00 66.02 61.76 1wxn s SER 9 CO 0.91 0.04 -0.04 -0.54 1.20 0.00 0.00 173.24 174.82 1wxn s LYS 10 N -0.67 0.31 0.00 5.44 1.02 -1.21 0.37 119.74 125.01 1wxn s LYS 10 Ca 0.44 -0.19 0.00 0.00 0.02 0.00 0.00 55.97 56.24 1wxn s LYS 10 Cb -0.25 -0.27 0.00 0.00 -0.52 0.00 0.00 37.83 36.79 1wxn s LYS 10 CO 0.31 0.07 0.00 0.41 -0.92 0.00 0.00 175.35 175.22 1wxn n GLY 11 N 2.83 1.15 3.12 -3.33 0.00 -0.21 -0.58 105.19 108.17 1wxn n GLY 11 Ca -0.14 0.07 -0.25 0.00 0.00 0.00 0.00 46.02 45.70 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 0.92 1.32 -0.07 -0.61 -1.09 -0.25 -0.42 121.20 120.99 1wxn s ILE 12 Ca 0.00 -0.66 -0.05 0.00 -2.23 0.00 0.00 60.65 57.71 1wxn s ILE 12 Cb 0.00 -1.13 -0.04 0.00 -1.58 0.00 0.00 42.46 39.71 1wxn s ILE 12 CO 0.00 0.38 0.14 -0.72 -1.23 0.00 0.00 174.94 173.51 1wxn s TYR 13 N -0.00 3.53 -0.09 3.97 1.13 -0.49 -0.88 117.35 124.51 1wxn s TYR 13 Ca -0.02 0.43 -0.01 0.00 -1.41 0.00 0.00 57.07 56.05 1wxn s TYR 13 Cb -0.10 -1.88 -0.03 0.00 -1.10 0.00 0.00 41.96 38.85 1wxn s TYR 13 CO 0.01 0.68 -0.04 -1.58 -2.51 0.00 0.00 175.55 172.12 1wxn s TRP 14 N -1.14 3.04 -0.23 -3.49 0.52 0.11 -4.79 118.94 112.97 1wxn s TRP 14 Ca 0.20 0.03 -0.29 0.00 0.02 0.00 0.00 56.10 56.06 1wxn s TRP 14 Cb -0.12 -1.79 -0.00 0.00 -1.15 0.00 0.00 33.47 30.41 1wxn s TRP 14 CO 0.10 0.32 1.20 -0.06 0.02 0.00 0.00 176.95 178.52 1wxn s PHE 15 N -0.62 2.96 -1.16 -1.98 0.08 -1.26 -0.73 117.98 115.27 1wxn s PHE 15 Ca 0.10 1.10 -0.02 0.00 0.12 0.00 0.00 56.93 58.23 1wxn s PHE 15 Cb -0.12 -3.57 0.02 0.00 -0.57 0.00 0.00 43.02 38.78 1wxn s PHE 15 CO 0.02 -1.31 0.15 0.66 -0.10 0.00 0.00 175.22 174.64 1wxn n TYR 16 N 6.81 -1.52 -3.20 0.36 4.01 -0.93 -4.93 117.16 117.77 1wxn n TYR 16 Ca 0.13 0.14 -0.45 0.00 -0.16 0.00 0.00 57.90 57.56 1wxn n TYR 16 Cb 0.46 -2.97 -0.05 0.00 -0.31 0.00 0.00 39.34 36.47 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 -5.28 3.03 0.03 -0.72 0.52 -1.25 -4.93 118.95 110.34 1wxn s ARG 17 Ca 0.11 -1.43 0.09 0.00 -0.52 0.00 0.00 55.73 53.97 1wxn s ARG 17 Cb -0.05 -4.26 0.39 0.00 0.52 0.00 0.00 34.95 31.54 1wxn s ARG 17 CO 0.13 -1.42 1.28 -0.35 0.02 0.00 0.00 175.30 174.96 1wxn n PRO 18 N 5.89 0.02 -4.01 3.54 -0.04 -1.26 -4.26 135.00 134.88 1wxn n PRO 18 Ca -0.11 0.39 -0.34 0.00 -0.04 0.00 0.00 63.50 63.40 1wxn n PRO 18 Cb 0.42 -1.54 -0.15 0.00 -0.04 0.00 0.00 33.50 32.19 1wxn n PRO 18 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1wxn s SER 19 N -3.11 4.10 0.00 3.54 0.15 -1.26 -5.06 113.70 112.06 1wxn s SER 19 Ca 0.03 -0.94 -0.30 0.00 0.70 0.00 0.00 55.95 55.44 1wxn s SER 19 Cb 0.05 -1.60 -0.05 0.00 -1.71 0.00 0.00 66.02 62.70 1wxn s SER 19 CO 0.15 -0.11 1.38 0.00 1.20 0.00 0.00 173.24 175.85 1wxn n PRO 21 N 5.25 1.81 0.00 0.00 -0.02 -1.26 -4.65 135.00 136.14 1wxn n PRO 21 Ca 0.13 -1.84 0.02 0.00 -2.02 0.00 0.00 63.50 59.79 1wxn n PRO 21 Cb 0.44 -2.84 0.14 0.00 -0.02 0.00 0.00 33.50 31.21 1wxn n PRO 21 CO 0.00 0.00 0.00 -2.37 1.98 0.00 0.00 175.50 175.11 1wxn n THR 22 N 5.45 0.00 0.40 3.45 5.66 -1.26 -1.75 114.28 126.23 1wxn n THR 22 Ca 0.49 0.00 0.13 0.00 -3.05 0.00 0.00 64.05 61.62 1wxn n THR 22 Cb 0.34 -0.16 0.33 0.00 -1.55 0.00 0.00 70.33 69.29 1wxn n THR 22 CO 0.00 0.00 0.00 -0.78 -3.05 0.00 0.00 175.07 171.24 1wxn h ASP 23 N 0.00 0.00 -0.72 1.09 3.58 -1.88 -3.23 116.42 115.26 1wxn h ASP 23 Ca 0.00 0.00 -0.38 0.00 0.42 0.00 0.00 57.03 57.07 1wxn h ASP 23 Cb 0.00 0.00 -0.22 0.00 1.72 0.00 0.00 39.33 40.83 1wxn h ASP 23 CO 0.00 0.00 0.48 0.54 -2.88 0.00 0.00 179.24 177.38 1wxn n ARG 24 N -2.70 1.90 -0.02 0.28 1.74 -0.72 -4.85 116.66 112.30 1wxn n ARG 24 Ca 0.04 -2.16 0.00 0.00 -0.77 0.00 0.00 57.85 54.96 1wxn n ARG 24 Cb 0.45 -1.85 0.00 0.00 -1.02 0.00 0.00 32.46 30.04 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 -0.67 2.27 3.69 -0.13 0.00 -1.22 -4.99 105.19 104.15 1wxn n GLY 25 Ca 0.43 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 46.01 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 2.49 -0.10 1.61 4.01 -1.26 -4.62 117.16 117.29 1wxn n TYR 26 Ca 0.00 0.20 -0.12 0.00 -0.16 0.00 0.00 57.90 57.82 1wxn n TYR 26 Cb 0.00 -2.59 -0.13 0.00 -0.31 0.00 0.00 39.34 36.31 1wxn n TYR 26 CO 0.00 0.00 0.00 -2.37 -0.46 0.00 0.00 176.86 174.03 1wxn n THR 27 N 3.40 1.29 -4.17 -0.72 5.66 -0.26 -4.74 114.28 114.74 1wxn n THR 27 Ca 0.16 -0.68 -0.30 0.00 -3.05 0.00 0.00 64.05 60.18 1wxn n THR 27 Cb 0.32 -0.82 -0.09 0.00 -1.55 0.00 0.00 70.33 68.19 1wxn n THR 27 CO 0.00 0.00 0.00 -0.83 -3.05 0.00 0.00 175.07 171.19 1wxn s GLY 28 N -5.65 1.86 -0.46 1.09 0.00 0.14 -4.97 107.32 99.33 1wxn s GLY 28 Ca -0.18 -1.19 0.03 0.00 0.00 0.00 0.00 44.72 43.39 1wxn s GLY 28 CO 0.67 -1.17 0.34 -0.56 0.00 0.00 0.00 173.10 172.38 1wxn s SER 29 N -2.33 2.55 0.48 1.64 0.01 -1.26 -1.10 113.70 113.68 1wxn s SER 29 Ca 0.24 -3.03 -0.00 0.00 1.31 0.00 0.00 55.95 54.46 1wxn s SER 29 Cb -0.11 -0.73 0.00 0.00 0.21 0.00 0.00 66.02 65.39 1wxn s SER 29 CO 0.17 -0.19 0.71 0.00 0.41 0.00 0.00 173.24 174.34 1wxn s ARG 31 N -4.63 4.12 0.22 0.00 3.52 -1.26 0.73 118.95 121.65 1wxn s ARG 31 Ca 0.50 -0.25 -0.01 0.00 -0.13 0.00 0.00 55.73 55.83 1wxn s ARG 31 Cb -0.10 -3.45 -0.04 0.00 -1.56 0.00 0.00 34.95 29.79 1wxn s ARG 31 CO 0.39 0.19 0.42 -0.47 -0.81 0.00 0.00 175.30 175.02 1wxn s TYR 32 N 0.67 3.48 0.52 5.12 5.04 0.19 -4.78 117.35 127.59 1wxn s TYR 32 Ca 0.07 0.39 0.28 0.00 -2.44 0.00 0.00 57.07 55.38 1wxn s TYR 32 Cb -0.12 -1.89 1.41 0.00 0.35 0.00 0.00 41.96 41.70 1wxn s TYR 32 CO 0.01 0.34 1.91 0.35 -1.34 0.00 0.00 175.55 176.83 1wxn h PHE 33 N 1.95 0.07 -0.04 4.97 3.57 -2.00 -1.13 116.94 124.32 1wxn h PHE 33 Ca -0.48 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.02 1wxn h PHE 33 Cb 1.19 -0.02 0.00 0.00 2.79 0.00 0.00 35.95 39.91 1wxn h PHE 33 CO 0.56 0.02 0.00 1.28 -2.23 0.00 0.00 178.31 177.94 1wxn n LEU 34 N -4.33 2.24 0.00 0.59 7.99 -1.26 -5.06 117.00 117.17 1wxn n LEU 34 Ca 0.16 -1.05 0.00 0.00 -0.01 0.00 0.00 56.01 55.11 1wxn n LEU 34 Cb 0.83 -0.01 0.00 0.00 -0.11 0.00 0.00 43.42 44.13 1wxn n LEU 34 CO 0.37 0.42 0.00 0.61 -1.51 0.00 0.00 177.39 177.28 1wxn n GLY 35 N 0.80 -0.59 3.63 -0.72 0.00 -0.43 -2.19 105.19 105.69 1wxn n GLY 35 Ca 0.09 -0.66 -0.37 0.00 0.00 0.00 0.00 46.02 45.07 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 -3.37 5.33 -0.67 2.61 2.01 0.09 0.56 115.64 122.21 1wxn s THR 36 Ca 0.00 0.17 -0.23 0.00 0.31 0.00 0.00 61.69 61.94 1wxn s THR 36 Cb 0.00 -3.51 0.07 0.00 0.01 0.00 0.00 72.50 69.07 1wxn s THR 36 CO 0.00 0.30 0.99 0.00 -0.69 0.00 0.00 174.62 175.23 1wxn s THR 39 N 2.10 1.94 0.00 0.00 -4.23 -0.26 -1.09 115.64 114.10 1wxn s THR 39 Ca 0.12 -0.87 0.00 0.00 -1.18 0.00 0.00 61.69 59.76 1wxn s THR 39 Cb -0.17 -1.76 0.00 0.00 1.34 0.00 0.00 72.50 71.91 1wxn s THR 39 CO 0.13 0.52 0.00 -0.81 -0.54 0.00 0.00 174.62 173.92 1wxn n PRO 40 N 4.56 0.00 -2.69 3.99 -0.04 -1.09 0.29 135.00 140.02 1wxn n PRO 40 Ca -0.20 0.00 -0.07 0.00 -0.04 0.00 0.00 63.50 63.19 1wxn n PRO 40 Cb 0.50 0.00 0.08 0.00 -0.04 0.00 0.00 33.50 34.05 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 -3.00 2.26 1.47 0.55 0.00 -0.96 -3.29 120.51 117.55 1wxn n ALA 41 Ca 0.00 -2.03 0.14 0.00 0.00 0.00 0.00 53.44 51.55 1wxn n ALA 41 Cb 0.00 -0.95 0.50 0.00 0.00 0.00 0.00 19.45 18.99 1wxn n ALA 41 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03