#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 3.51 -2.90 2.61 -2.24 -1.26 -4.95 114.28 109.05 1wxn n THR 2 Ca 0.00 -2.89 -0.33 0.00 -2.27 0.00 0.00 64.05 58.56 1wxn n THR 2 Cb 0.00 -2.60 -0.07 0.00 -2.10 0.00 0.00 70.33 65.56 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 3.12 3.12 0.33 6.98 0.00 -1.26 -0.93 121.76 133.12 1wxn s ALA 3 Ca 0.50 0.29 -0.05 0.00 0.00 0.00 0.00 51.96 52.70 1wxn s ALA 3 Cb 0.15 -3.04 0.01 0.00 0.00 0.00 0.00 23.12 20.23 1wxn s ALA 3 CO -0.08 0.18 0.50 0.00 0.00 0.00 0.00 175.76 176.36 1wxn s SER 5 N -3.19 -0.25 -0.45 0.00 0.01 -1.26 -1.02 113.70 107.55 1wxn s SER 5 Ca 0.28 0.38 0.04 0.00 1.31 0.00 0.00 55.95 57.96 1wxn s SER 5 Cb -0.01 0.49 0.12 0.00 0.21 0.00 0.00 66.02 66.84 1wxn s SER 5 CO 0.18 -0.23 0.19 0.00 0.41 0.00 0.00 173.24 173.78 1wxn n GLY 7 N 3.57 1.26 0.02 0.00 0.00 -1.26 -1.52 105.19 107.26 1wxn n GLY 7 Ca 0.05 0.27 0.08 0.00 0.00 0.00 0.00 46.02 46.42 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 6.49 0.65 -4.81 1.61 4.13 -1.26 -4.99 115.26 117.08 1wxn n ASN 8 Ca 0.00 0.00 -0.36 0.00 1.68 0.00 0.00 54.58 55.90 1wxn n ASN 8 Cb 0.00 1.77 -0.06 0.00 -1.54 0.00 0.00 39.78 39.94 1wxn n ASN 8 CO 0.00 0.00 0.00 -0.94 0.28 0.00 0.00 177.26 176.60 1wxn s SER 9 N -4.30 7.13 0.06 6.41 1.04 -0.58 -5.00 113.70 118.46 1wxn s SER 9 Ca -0.07 1.57 0.07 0.00 0.48 0.00 0.00 55.95 58.00 1wxn s SER 9 Cb 0.11 -2.48 -0.03 0.00 0.10 0.00 0.00 66.02 63.73 1wxn s SER 9 CO 0.78 -0.03 -0.20 -0.54 0.98 0.00 0.00 173.24 174.24 1wxn s LYS 10 N -2.11 1.24 0.00 4.02 1.02 -1.18 -0.42 119.74 122.31 1wxn s LYS 10 Ca 0.47 -0.97 0.00 0.00 0.02 0.00 0.00 55.97 55.49 1wxn s LYS 10 Cb -0.17 -1.38 0.00 0.00 -0.52 0.00 0.00 37.83 35.77 1wxn s LYS 10 CO 0.21 0.34 0.00 0.41 -0.92 0.00 0.00 175.35 175.40 1wxn n GLY 11 N 1.65 1.57 3.17 -3.33 0.00 -0.19 -0.52 105.19 107.56 1wxn n GLY 11 Ca -0.18 -0.30 -0.27 0.00 0.00 0.00 0.00 46.02 45.27 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 -0.97 1.56 -0.08 -0.61 -1.09 -0.05 -0.25 121.20 119.71 1wxn s ILE 12 Ca 0.00 -0.81 -0.07 0.00 -2.23 0.00 0.00 60.65 57.54 1wxn s ILE 12 Cb 0.00 -1.33 -0.04 0.00 -1.58 0.00 0.00 42.46 39.51 1wxn s ILE 12 CO 0.00 0.44 0.18 -0.72 -1.23 0.00 0.00 174.94 173.61 1wxn s TYR 13 N -0.13 3.60 0.10 3.97 1.13 -0.11 -1.05 117.35 124.87 1wxn s TYR 13 Ca -0.01 0.55 0.04 0.00 -1.41 0.00 0.00 57.07 56.24 1wxn s TYR 13 Cb -0.11 -1.96 -0.04 0.00 -1.10 0.00 0.00 41.96 38.76 1wxn s TYR 13 CO 0.02 0.71 0.10 -1.58 -2.51 0.00 0.00 175.55 172.28 1wxn s TRP 14 N -1.10 3.19 -0.93 -3.49 0.52 0.12 -4.85 118.94 112.40 1wxn s TRP 14 Ca 0.18 0.05 -0.24 0.00 0.02 0.00 0.00 56.10 56.12 1wxn s TRP 14 Cb -0.13 -1.59 0.04 0.00 -1.15 0.00 0.00 33.47 30.64 1wxn s TRP 14 CO 0.08 0.52 1.40 -0.06 0.02 0.00 0.00 176.95 178.91 1wxn s PHE 15 N -1.49 2.44 -0.61 -1.98 0.40 -1.26 -0.02 117.98 115.46 1wxn s PHE 15 Ca 0.30 -0.57 -0.08 0.00 -0.60 0.00 0.00 56.93 55.98 1wxn s PHE 15 Cb -0.12 -4.67 0.01 0.00 0.51 0.00 0.00 43.02 38.75 1wxn s PHE 15 CO 0.23 -1.99 0.65 0.66 0.70 0.00 0.00 175.22 175.47 1wxn n TYR 16 N 9.10 -3.16 -3.45 0.36 4.01 -1.21 -4.91 117.16 117.90 1wxn n TYR 16 Ca 0.23 1.24 -0.27 0.00 -0.16 0.00 0.00 57.90 58.94 1wxn n TYR 16 Cb 0.50 -4.00 -0.10 0.00 -0.31 0.00 0.00 39.34 35.43 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 -2.89 1.04 0.51 -0.72 0.52 -1.26 -4.95 118.95 111.20 1wxn s ARG 17 Ca 0.12 -2.18 0.32 0.00 -0.52 0.00 0.00 55.73 53.46 1wxn s ARG 17 Cb -0.03 -1.62 1.74 0.00 0.52 0.00 0.00 34.95 35.55 1wxn s ARG 17 CO 0.77 -1.36 1.97 -1.35 0.02 0.00 0.00 175.30 175.34 1wxn h PRO 18 N 5.72 0.00 -3.47 3.54 0.11 -1.96 -3.22 132.00 132.73 1wxn h PRO 18 Ca 0.24 0.00 -0.68 0.00 0.11 0.00 0.00 66.00 65.66 1wxn h PRO 18 Cb 0.90 0.00 -0.37 0.00 0.11 0.00 0.00 31.00 31.64 1wxn h PRO 18 CO 0.40 0.00 -0.37 -1.12 -0.21 0.00 0.00 178.00 176.70 1wxn s SER 19 N -4.51 5.18 0.15 -2.05 0.01 -1.26 -5.08 113.70 106.14 1wxn s SER 19 Ca -0.04 -3.09 -0.30 0.00 1.31 0.00 0.00 55.95 53.84 1wxn s SER 19 Cb 0.09 -1.82 -0.07 0.00 0.21 0.00 0.00 66.02 64.44 1wxn s SER 19 CO 0.29 -0.30 0.99 0.00 0.41 0.00 0.00 173.24 174.63 1wxn s PRO 21 N -0.28 2.54 0.00 0.00 0.02 -1.26 -4.80 135.00 131.21 1wxn s PRO 21 Ca 0.46 -0.25 0.00 0.00 0.02 0.00 0.00 61.00 61.23 1wxn s PRO 21 Cb -0.25 -5.04 0.00 0.00 0.02 0.00 0.00 34.50 29.23 1wxn s PRO 21 CO 0.31 -3.39 0.79 -2.37 -0.33 0.00 0.00 177.00 172.02 1wxn n THR 22 N 7.88 0.00 0.99 0.99 5.66 -1.26 -3.47 114.28 125.07 1wxn n THR 22 Ca 0.40 0.00 0.12 0.00 -3.05 0.00 0.00 64.05 61.52 1wxn n THR 22 Cb 0.47 -0.16 0.56 0.00 -1.55 0.00 0.00 70.33 69.65 1wxn n THR 22 CO 0.00 0.00 0.00 0.47 -3.05 0.00 0.00 175.07 172.49 1wxn n ASP 23 N -0.34 0.00 -0.48 1.09 9.92 -1.26 -1.74 116.55 123.74 1wxn n ASP 23 Ca 0.00 0.22 0.11 0.00 -0.53 0.00 0.00 54.79 54.59 1wxn n ASP 23 Cb 0.07 -0.39 0.41 0.00 -0.64 0.00 0.00 41.12 40.56 1wxn n ASP 23 CO 0.00 0.00 0.00 0.54 0.13 0.00 0.00 177.20 177.87 1wxn n ARG 24 N -1.39 1.63 -1.21 -1.24 3.00 -1.23 -4.88 116.66 111.34 1wxn n ARG 24 Ca 0.09 -0.95 0.00 0.00 -0.01 0.00 0.00 57.85 56.98 1wxn n ARG 24 Cb 0.24 -1.39 0.00 0.00 0.00 0.00 0.00 32.46 31.31 1wxn n ARG 24 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1wxn n GLY 25 N 1.09 0.71 3.73 -0.13 0.00 -0.71 -4.98 105.19 104.90 1wxn n GLY 25 Ca 0.16 -0.71 -0.42 0.00 0.00 0.00 0.00 46.02 45.05 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 -2.00 3.09 -0.25 1.61 2.02 -1.20 -4.46 117.35 116.15 1wxn s TYR 26 Ca 0.00 0.85 -0.17 0.00 -0.37 0.00 0.00 57.07 57.38 1wxn s TYR 26 Cb 0.00 -3.83 -0.15 0.00 -0.40 0.00 0.00 41.96 37.58 1wxn s TYR 26 CO 0.00 -2.92 -0.14 2.41 -1.57 0.00 0.00 175.55 173.34 1wxn n THR 27 N 3.34 1.53 -4.24 -0.71 -1.04 0.03 -4.85 114.28 108.35 1wxn n THR 27 Ca 0.11 -0.25 -0.23 0.00 -2.04 0.00 0.00 64.05 61.64 1wxn n THR 27 Cb 0.40 -1.94 -0.07 0.00 -1.82 0.00 0.00 70.33 66.89 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 -5.25 1.78 -0.41 3.41 0.00 0.72 -4.94 107.32 102.62 1wxn s GLY 28 Ca -0.35 -1.73 0.04 0.00 0.00 0.00 0.00 44.72 42.67 1wxn s GLY 28 CO 0.53 -1.74 0.38 -0.56 0.00 0.00 0.00 173.10 171.70 1wxn s SER 29 N -3.73 1.22 0.33 1.64 0.01 -1.24 -1.30 113.70 110.63 1wxn s SER 29 Ca 0.34 -2.63 -0.01 0.00 1.31 0.00 0.00 55.95 54.96 1wxn s SER 29 Cb -0.05 -0.03 -0.04 0.00 0.21 0.00 0.00 66.02 66.12 1wxn s SER 29 CO 0.21 -0.18 0.55 0.00 0.41 0.00 0.00 173.24 174.23 1wxn s ARG 31 N -4.14 4.28 0.16 0.00 6.06 -1.26 0.29 118.95 124.35 1wxn s ARG 31 Ca 0.41 1.36 0.06 0.00 -2.50 0.00 0.00 55.73 55.06 1wxn s ARG 31 Cb -0.10 -3.62 -0.04 0.00 0.06 0.00 0.00 34.95 31.25 1wxn s ARG 31 CO 0.35 -0.58 0.08 -0.47 -2.50 0.00 0.00 175.30 172.18 1wxn s TYR 32 N 3.01 3.04 0.26 5.12 5.04 0.13 -4.84 117.35 129.11 1wxn s TYR 32 Ca 0.45 -0.05 -0.04 0.00 -2.44 0.00 0.00 57.07 54.99 1wxn s TYR 32 Cb -0.16 -1.48 0.51 0.00 0.35 0.00 0.00 41.96 41.19 1wxn s TYR 32 CO 0.08 0.52 1.65 0.74 -1.34 0.00 0.00 175.55 177.20 1wxn h PHE 33 N 2.61 0.16 -0.01 4.97 0.04 -2.00 -0.33 116.94 122.38 1wxn h PHE 33 Ca -0.47 0.05 0.00 0.00 2.80 0.00 0.00 57.97 60.35 1wxn h PHE 33 Cb 1.20 0.05 0.00 0.00 2.20 0.00 0.00 35.95 39.40 1wxn h PHE 33 CO 0.60 -0.18 -0.28 1.28 -0.60 0.00 0.00 178.31 179.12 1wxn n LEU 34 N -5.25 1.42 0.00 1.54 7.99 -1.26 -5.03 117.00 116.41 1wxn n LEU 34 Ca 0.16 -0.45 0.00 0.00 -0.01 0.00 0.00 56.01 55.71 1wxn n LEU 34 Cb 0.52 -0.07 0.00 0.00 -0.11 0.00 0.00 43.42 43.76 1wxn n LEU 34 CO 0.08 0.26 0.00 0.61 -1.51 0.00 0.00 177.39 176.83 1wxn n GLY 35 N 1.35 -0.54 3.20 -0.72 0.00 -0.13 -3.35 105.19 104.99 1wxn n GLY 35 Ca 0.12 -0.01 -0.34 0.00 0.00 0.00 0.00 46.02 45.79 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 -0.18 2.81 -0.41 2.61 2.01 0.97 0.20 115.64 123.64 1wxn s THR 36 Ca 0.00 -0.94 -0.23 0.00 0.31 0.00 0.00 61.69 60.83 1wxn s THR 36 Cb 0.00 -2.37 0.02 0.00 0.01 0.00 0.00 72.50 70.16 1wxn s THR 36 CO 0.00 0.29 0.80 0.00 -0.69 0.00 0.00 174.62 175.02 1wxn s THR 39 N 1.60 2.33 0.00 0.00 -4.23 -0.42 -0.87 115.64 114.06 1wxn s THR 39 Ca 0.03 -1.44 0.00 0.00 -1.18 0.00 0.00 61.69 59.11 1wxn s THR 39 Cb -0.19 -2.29 0.00 0.00 1.34 0.00 0.00 72.50 71.36 1wxn s THR 39 CO 0.08 0.07 0.00 -0.81 -0.54 0.00 0.00 174.62 173.42 1wxn n PRO 40 N 4.51 0.00 -2.71 3.99 -0.04 -0.90 -0.20 135.00 139.65 1wxn n PRO 40 Ca -0.15 0.00 -0.02 0.00 -0.04 0.00 0.00 63.50 63.29 1wxn n PRO 40 Cb 0.44 0.00 0.11 0.00 -0.04 0.00 0.00 33.50 34.01 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 2.73 1.73 0.55 0.00 -0.63 -3.11 120.51 118.78 1wxn n ALA 41 Ca 0.00 -1.50 0.15 0.00 0.00 0.00 0.00 53.44 52.09 1wxn n ALA 41 Cb 0.00 -0.85 0.72 0.00 0.00 0.00 0.00 19.45 19.32 1wxn n ALA 41 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03