#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 4.40 -2.79 2.61 -2.24 -1.26 -4.95 114.28 110.05 1wxn n THR 2 Ca 0.00 -3.12 -0.33 0.00 -2.27 0.00 0.00 64.05 58.33 1wxn n THR 2 Cb 0.00 -2.49 -0.06 0.00 -2.10 0.00 0.00 70.33 65.68 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 1.50 3.09 0.10 6.98 0.00 -1.26 -1.05 121.76 131.12 1wxn s ALA 3 Ca 0.61 0.31 -0.07 0.00 0.00 0.00 0.00 51.96 52.81 1wxn s ALA 3 Cb 0.17 -3.09 -0.01 0.00 0.00 0.00 0.00 23.12 20.19 1wxn s ALA 3 CO -0.07 0.09 0.16 0.00 0.00 0.00 0.00 175.76 175.94 1wxn s SER 5 N -2.91 1.01 -0.46 0.00 1.04 -1.26 -1.29 113.70 109.82 1wxn s SER 5 Ca 0.10 -0.15 0.03 0.00 0.48 0.00 0.00 55.95 56.41 1wxn s SER 5 Cb 0.05 -0.32 0.13 0.00 0.10 0.00 0.00 66.02 65.98 1wxn s SER 5 CO -0.07 0.03 0.24 0.00 0.98 0.00 0.00 173.24 174.42 1wxn n GLY 7 N 3.42 1.43 0.36 0.00 0.00 -1.26 -1.55 105.19 107.59 1wxn n GLY 7 Ca 0.08 0.11 0.10 0.00 0.00 0.00 0.00 46.02 46.30 1wxn n GLY 7 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1wxn n ASN 8 N 10.34 1.68 -4.65 1.61 3.02 -1.26 -4.90 115.26 121.11 1wxn n ASN 8 Ca 0.00 -1.34 -0.36 0.00 -0.03 0.00 0.00 54.58 52.85 1wxn n ASN 8 Cb 0.00 0.57 -0.10 0.00 -0.61 0.00 0.00 39.78 39.65 1wxn n ASN 8 CO 0.00 0.00 0.00 -0.44 -2.62 0.00 0.00 177.26 174.20 1wxn s SER 9 N -2.33 5.98 0.02 6.41 0.01 -0.60 -4.91 113.70 118.28 1wxn s SER 9 Ca 0.15 0.10 0.06 0.00 1.31 0.00 0.00 55.95 57.57 1wxn s SER 9 Cb 0.16 -2.07 -0.02 0.00 0.21 0.00 0.00 66.02 64.30 1wxn s SER 9 CO 0.55 0.09 -0.18 -1.59 0.41 0.00 0.00 173.24 172.53 1wxn s LYS 10 N 0.88 1.29 0.00 12.44 -2.85 -1.12 0.04 119.74 130.42 1wxn s LYS 10 Ca 0.07 -0.77 0.00 0.00 -1.00 0.00 0.00 55.97 54.27 1wxn s LYS 10 Cb -0.13 -1.31 0.00 0.00 -2.06 0.00 0.00 37.83 34.33 1wxn s LYS 10 CO 0.03 0.34 0.00 0.41 0.10 0.00 0.00 175.35 176.23 1wxn n GLY 11 N 2.19 2.21 3.21 0.59 0.00 -0.41 -1.13 105.19 111.85 1wxn n GLY 11 Ca -0.16 -0.14 -0.26 0.00 0.00 0.00 0.00 46.02 45.45 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 -0.03 1.57 -0.15 -0.61 -1.09 -0.25 -0.42 121.20 120.21 1wxn s ILE 12 Ca 0.00 -0.89 -0.13 0.00 -2.23 0.00 0.00 60.65 57.40 1wxn s ILE 12 Cb 0.00 -1.31 -0.05 0.00 -1.58 0.00 0.00 42.46 39.52 1wxn s ILE 12 CO 0.00 0.41 0.26 -0.72 -1.23 0.00 0.00 174.94 173.65 1wxn s TYR 13 N -0.51 3.48 0.20 3.97 1.13 -0.22 -0.74 117.35 124.67 1wxn s TYR 13 Ca 0.08 0.57 -0.00 0.00 -1.41 0.00 0.00 57.07 56.30 1wxn s TYR 13 Cb -0.08 -2.27 -0.04 0.00 -1.10 0.00 0.00 41.96 38.48 1wxn s TYR 13 CO -0.00 0.32 0.38 -1.58 -2.51 0.00 0.00 175.55 172.17 1wxn s TRP 14 N 0.19 3.48 -1.15 -3.49 0.52 0.14 -4.88 118.94 113.75 1wxn s TRP 14 Ca 0.15 0.31 -0.17 0.00 0.02 0.00 0.00 56.10 56.41 1wxn s TRP 14 Cb -0.13 -1.83 0.12 0.00 -1.15 0.00 0.00 33.47 30.49 1wxn s TRP 14 CO 0.03 0.39 1.46 -0.06 0.02 0.00 0.00 176.95 178.79 1wxn s PHE 15 N -1.88 3.10 -0.22 -1.98 0.08 -1.26 0.20 117.98 116.02 1wxn s PHE 15 Ca 0.38 -1.68 -0.03 0.00 0.12 0.00 0.00 56.93 55.72 1wxn s PHE 15 Cb -0.11 -4.48 0.00 0.00 -0.57 0.00 0.00 43.02 37.86 1wxn s PHE 15 CO 0.29 -1.60 0.12 0.66 -0.10 0.00 0.00 175.22 174.59 1wxn n TYR 16 N 7.01 -2.43 -3.65 0.36 4.01 -1.23 -4.91 117.16 116.32 1wxn n TYR 16 Ca 0.37 1.05 -0.29 0.00 -0.16 0.00 0.00 57.90 58.87 1wxn n TYR 16 Cb 0.46 -3.11 -0.12 0.00 -0.31 0.00 0.00 39.34 36.26 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 -1.33 1.25 0.00 -0.72 1.81 -1.26 -4.95 118.95 113.74 1wxn s ARG 17 Ca 0.05 -2.05 0.06 0.00 -1.72 0.00 0.00 55.73 52.07 1wxn s ARG 17 Cb -0.01 -2.18 0.28 0.00 -0.45 0.00 0.00 34.95 32.59 1wxn s ARG 17 CO 0.49 -1.21 1.11 -2.30 -0.68 0.00 0.00 175.30 172.71 1wxn n PRO 18 N 3.38 0.05 -3.20 3.54 -0.02 -1.26 -2.68 135.00 134.80 1wxn n PRO 18 Ca 0.13 0.31 -0.23 0.00 -2.02 0.00 0.00 63.50 61.69 1wxn n PRO 18 Cb 0.37 -1.50 -0.06 0.00 -0.02 0.00 0.00 33.50 32.29 1wxn n PRO 18 CO 0.00 0.00 0.00 0.43 1.98 0.00 0.00 175.50 177.91 1wxn n SER 19 N -1.38 1.01 -4.69 2.55 7.64 -1.26 -5.11 113.62 112.38 1wxn n SER 19 Ca 0.02 -2.92 -0.42 0.00 1.01 0.00 0.00 58.87 56.56 1wxn n SER 19 Cb 0.06 -0.63 -0.03 0.00 -1.01 0.00 0.00 64.21 62.60 1wxn n SER 19 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1wxn s PRO 21 N 2.63 3.27 0.00 0.00 0.02 -1.26 -4.86 135.00 134.79 1wxn s PRO 21 Ca 0.74 1.23 0.00 0.00 0.02 0.00 0.00 61.00 62.99 1wxn s PRO 21 Cb -0.40 -4.20 0.00 0.00 0.02 0.00 0.00 34.50 29.92 1wxn s PRO 21 CO 0.32 -1.94 0.91 0.25 -0.33 0.00 0.00 177.00 176.21 1wxn n THR 22 N 7.33 0.87 0.20 0.99 -2.24 -1.26 -4.12 114.28 116.06 1wxn n THR 22 Ca 0.22 0.00 0.09 0.00 -2.27 0.00 0.00 64.05 62.09 1wxn n THR 22 Cb 0.48 -0.93 0.24 0.00 -2.10 0.00 0.00 70.33 68.01 1wxn n THR 22 CO 0.00 0.00 0.00 0.44 -0.57 0.00 0.00 175.07 174.94 1wxn h ASP 23 N 0.09 0.00 0.09 3.42 3.32 -1.96 0.01 116.42 121.39 1wxn h ASP 23 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1wxn h ASP 23 Cb 0.91 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.46 1wxn h ASP 23 CO 0.00 0.20 0.00 -1.14 -1.72 0.00 0.00 179.24 176.58 1wxn n ARG 24 N -3.19 0.90 -2.16 3.56 0.63 -1.26 -4.88 116.66 110.26 1wxn n ARG 24 Ca 0.02 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.95 1wxn n ARG 24 Cb 0.55 -1.50 0.00 0.00 0.45 0.00 0.00 32.46 31.96 1wxn n ARG 24 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1wxn n GLY 25 N 1.01 0.67 3.71 5.14 0.00 -0.01 -4.82 105.19 110.90 1wxn n GLY 25 Ca 0.22 -0.55 -0.42 0.00 0.00 0.00 0.00 46.02 45.27 1wxn n GLY 25 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1wxn s TYR 26 N -2.95 2.90 -0.25 1.61 2.02 -1.21 -4.46 117.35 115.02 1wxn s TYR 26 Ca 0.00 0.47 -0.14 0.00 -0.37 0.00 0.00 57.07 57.03 1wxn s TYR 26 Cb 0.00 -4.01 -0.16 0.00 -0.40 0.00 0.00 41.96 37.39 1wxn s TYR 26 CO 0.00 -3.83 -0.13 2.41 -1.57 0.00 0.00 175.55 172.43 1wxn n THR 27 N 4.09 1.54 -4.40 -0.71 -1.04 0.02 -4.85 114.28 108.94 1wxn n THR 27 Ca 0.15 -0.32 -0.27 0.00 -2.04 0.00 0.00 64.05 61.57 1wxn n THR 27 Cb 0.38 -1.87 -0.12 0.00 -1.82 0.00 0.00 70.33 66.90 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 -5.44 1.63 -0.55 3.41 0.00 0.55 -4.97 107.32 101.95 1wxn s GLY 28 Ca -0.34 -1.57 0.04 0.00 0.00 0.00 0.00 44.72 42.85 1wxn s GLY 28 CO 0.55 -1.58 0.39 -1.35 0.00 0.00 0.00 173.10 171.11 1wxn s SER 29 N -2.49 3.37 0.52 1.64 1.04 -1.25 -0.41 113.70 116.12 1wxn s SER 29 Ca 0.18 -3.34 -0.08 0.00 0.48 0.00 0.00 55.95 53.19 1wxn s SER 29 Cb -0.08 -1.09 -0.04 0.00 0.10 0.00 0.00 66.02 64.91 1wxn s SER 29 CO 0.08 -0.15 0.87 0.00 0.98 0.00 0.00 173.24 175.02 1wxn s ARG 31 N -4.80 3.93 0.19 0.00 6.06 -1.26 0.58 118.95 123.65 1wxn s ARG 31 Ca 0.50 0.32 0.05 0.00 -2.50 0.00 0.00 55.73 54.10 1wxn s ARG 31 Cb -0.10 -3.71 -0.03 0.00 0.06 0.00 0.00 34.95 31.16 1wxn s ARG 31 CO 0.46 -0.54 0.24 -0.47 -2.50 0.00 0.00 175.30 172.50 1wxn s TYR 32 N 2.57 3.32 0.34 5.12 5.04 0.11 -4.85 117.35 128.99 1wxn s TYR 32 Ca 0.25 0.01 0.12 0.00 -2.44 0.00 0.00 57.07 55.01 1wxn s TYR 32 Cb -0.15 -1.56 0.93 0.00 0.35 0.00 0.00 41.96 41.53 1wxn s TYR 32 CO 0.11 0.50 1.75 0.74 -1.34 0.00 0.00 175.55 177.32 1wxn h PHE 33 N 1.90 0.90 -0.31 4.97 0.04 -1.99 -1.13 116.94 121.33 1wxn h PHE 33 Ca -0.49 0.03 0.00 0.00 2.80 0.00 0.00 57.97 60.31 1wxn h PHE 33 Cb 1.21 -0.26 0.00 0.00 2.20 0.00 0.00 35.95 39.10 1wxn h PHE 33 CO 0.53 0.10 0.00 1.28 -0.60 0.00 0.00 178.31 179.62 1wxn n LEU 34 N -4.77 2.88 0.00 1.54 7.99 -1.26 -5.06 117.00 118.31 1wxn n LEU 34 Ca 0.26 -1.70 0.00 0.00 -0.01 0.00 0.00 56.01 54.55 1wxn n LEU 34 Cb 0.75 -0.21 0.00 0.00 -0.11 0.00 0.00 43.42 43.86 1wxn n LEU 34 CO 0.20 0.68 0.00 0.61 -1.51 0.00 0.00 177.39 177.37 1wxn n GLY 35 N 0.79 -0.59 3.28 -0.72 0.00 -0.43 -3.47 105.19 104.06 1wxn n GLY 35 Ca 0.13 -0.35 -0.37 0.00 0.00 0.00 0.00 46.02 45.44 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 3.61 -0.75 2.61 2.01 0.13 0.06 115.64 119.31 1wxn s THR 36 Ca 0.00 -0.92 -0.26 0.00 0.31 0.00 0.00 61.69 60.82 1wxn s THR 36 Cb 0.00 -2.91 0.03 0.00 0.01 0.00 0.00 72.50 69.63 1wxn s THR 36 CO 0.00 0.03 1.27 0.00 -0.69 0.00 0.00 174.62 175.23 1wxn s THR 39 N 2.74 2.81 0.00 0.00 -4.23 0.45 -1.08 115.64 116.33 1wxn s THR 39 Ca 0.19 -1.65 0.00 0.00 -1.18 0.00 0.00 61.69 59.05 1wxn s THR 39 Cb -0.17 -2.73 0.00 0.00 1.34 0.00 0.00 72.50 70.95 1wxn s THR 39 CO 0.15 -0.25 0.00 -0.81 -0.54 0.00 0.00 174.62 173.18 1wxn n PRO 40 N 4.54 0.00 -0.36 3.99 -0.04 -1.05 -0.33 135.00 141.75 1wxn n PRO 40 Ca -0.10 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.36 1wxn n PRO 40 Cb 0.43 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.89 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 1.72 -1.58 0.55 0.00 -0.72 -2.79 120.51 114.69 1wxn n ALA 41 Ca 0.00 -0.38 0.00 0.00 0.00 0.00 0.00 53.44 53.06 1wxn n ALA 41 Cb 0.00 -0.16 0.00 0.00 0.00 0.00 0.00 19.45 19.29 1wxn n ALA 41 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25