#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 4.37 -2.18 2.61 -2.24 -1.26 -4.96 114.28 110.62 1wxn n THR 2 Ca 0.00 -3.38 -0.38 0.00 -2.27 0.00 0.00 64.05 58.02 1wxn n THR 2 Cb 0.00 -2.44 -0.01 0.00 -2.10 0.00 0.00 70.33 65.78 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 1.30 3.08 -0.04 6.98 0.00 -1.26 -0.96 121.76 130.85 1wxn s ALA 3 Ca 0.56 1.05 -0.19 0.00 0.00 0.00 0.00 51.96 53.39 1wxn s ALA 3 Cb 0.16 -3.42 0.04 0.00 0.00 0.00 0.00 23.12 19.89 1wxn s ALA 3 CO -0.07 -0.73 0.42 0.00 0.00 0.00 0.00 175.76 175.38 1wxn s SER 5 N -1.10 0.19 -0.84 0.00 1.04 -1.26 -0.07 113.70 111.66 1wxn s SER 5 Ca -0.11 0.13 -0.07 0.00 0.48 0.00 0.00 55.95 56.38 1wxn s SER 5 Cb -0.04 0.01 0.21 0.00 0.10 0.00 0.00 66.02 66.31 1wxn s SER 5 CO 0.05 -0.16 0.74 0.00 0.98 0.00 0.00 173.24 174.85 1wxn n GLY 7 N 3.25 0.95 0.07 0.00 0.00 -1.26 -1.16 105.19 107.04 1wxn n GLY 7 Ca 0.16 0.42 -0.07 0.00 0.00 0.00 0.00 46.02 46.53 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 -3.14 1.61 2.35 -1.98 -3.45 115.58 110.97 1wxn h ASN 8 Ca 0.00 0.00 -0.58 0.00 -0.55 0.00 0.00 56.30 55.17 1wxn h ASN 8 Cb 0.00 0.00 -0.06 0.00 0.05 0.00 0.00 38.32 38.31 1wxn h ASN 8 CO 0.00 0.98 0.71 -0.44 -1.65 0.00 0.00 177.43 177.03 1wxn s SER 9 N -6.41 7.09 -0.06 5.81 0.01 -0.31 -4.90 113.70 114.93 1wxn s SER 9 Ca -0.01 1.36 0.05 0.00 1.31 0.00 0.00 55.95 58.65 1wxn s SER 9 Cb 0.09 -2.53 -0.00 0.00 0.21 0.00 0.00 66.02 63.79 1wxn s SER 9 CO 0.82 -0.61 -0.20 -0.54 0.41 0.00 0.00 173.24 173.12 1wxn s LYS 10 N 2.93 2.20 0.00 12.44 1.02 -1.15 0.69 119.74 137.87 1wxn s LYS 10 Ca 0.43 -0.73 0.00 0.00 0.02 0.00 0.00 55.97 55.69 1wxn s LYS 10 Cb -0.16 -1.84 0.00 0.00 -0.52 0.00 0.00 37.83 35.31 1wxn s LYS 10 CO 0.08 0.27 0.00 0.41 -0.92 0.00 0.00 175.35 175.19 1wxn n GLY 11 N 3.17 1.90 3.11 -3.33 0.00 0.90 -0.69 105.19 110.26 1wxn n GLY 11 Ca -0.18 0.05 -0.23 0.00 0.00 0.00 0.00 46.02 45.66 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 0.83 1.13 -0.11 -0.61 -1.09 -0.24 -0.29 121.20 120.82 1wxn s ILE 12 Ca 0.00 -0.61 -0.05 0.00 -2.23 0.00 0.00 60.65 57.77 1wxn s ILE 12 Cb 0.00 -0.95 -0.04 0.00 -1.58 0.00 0.00 42.46 39.89 1wxn s ILE 12 CO 0.00 0.32 0.07 -0.72 -1.23 0.00 0.00 174.94 173.38 1wxn s TYR 13 N -0.29 3.37 0.05 3.97 1.13 -0.13 -0.65 117.35 124.78 1wxn s TYR 13 Ca 0.05 0.34 0.02 0.00 -1.41 0.00 0.00 57.07 56.06 1wxn s TYR 13 Cb -0.06 -1.88 -0.04 0.00 -1.10 0.00 0.00 41.96 38.88 1wxn s TYR 13 CO -0.00 0.57 0.08 -1.58 -2.51 0.00 0.00 175.55 172.10 1wxn s TRP 14 N -0.85 3.21 -0.85 -3.49 0.52 0.12 -4.82 118.94 112.79 1wxn s TRP 14 Ca 0.13 0.11 -0.25 0.00 0.02 0.00 0.00 56.10 56.11 1wxn s TRP 14 Cb -0.12 -1.66 0.03 0.00 -1.15 0.00 0.00 33.47 30.58 1wxn s TRP 14 CO 0.03 0.53 1.37 -0.06 0.02 0.00 0.00 176.95 178.84 1wxn s PHE 15 N -1.32 2.35 -0.56 -1.98 0.08 -1.26 0.05 117.98 115.35 1wxn s PHE 15 Ca 0.27 -0.32 -0.14 0.00 0.12 0.00 0.00 56.93 56.86 1wxn s PHE 15 Cb -0.12 -4.63 0.02 0.00 -0.57 0.00 0.00 43.02 37.72 1wxn s PHE 15 CO 0.19 -2.03 0.64 0.66 -0.10 0.00 0.00 175.22 174.58 1wxn n TYR 16 N 9.37 -3.07 -3.99 0.36 4.01 -0.83 -4.90 117.16 118.11 1wxn n TYR 16 Ca 0.16 1.23 -0.34 0.00 -0.16 0.00 0.00 57.90 58.78 1wxn n TYR 16 Cb 0.50 -3.55 -0.15 0.00 -0.31 0.00 0.00 39.34 35.83 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 -2.94 2.76 0.00 -0.72 1.81 -1.26 -4.95 118.95 113.66 1wxn s ARG 17 Ca 0.18 -1.02 0.00 0.00 -1.72 0.00 0.00 55.73 53.17 1wxn s ARG 17 Cb -0.04 -2.94 0.00 0.00 -0.45 0.00 0.00 34.95 31.52 1wxn s ARG 17 CO 0.80 -0.41 0.78 -0.35 -0.68 0.00 0.00 175.30 175.44 1wxn n PRO 18 N 4.63 0.81 -3.30 3.54 -0.04 -1.26 -4.42 135.00 134.97 1wxn n PRO 18 Ca -0.16 0.00 -0.05 0.00 -0.04 0.00 0.00 63.50 63.25 1wxn n PRO 18 Cb 0.47 -1.03 -0.06 0.00 -0.04 0.00 0.00 33.50 32.84 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 -1.13 -0.35 -0.21 3.54 0.01 -1.26 -5.14 113.70 109.17 1wxn s SER 19 Ca 0.00 0.49 -0.23 0.00 1.31 0.00 0.00 55.95 57.52 1wxn s SER 19 Cb 0.00 1.50 -0.02 0.00 0.21 0.00 0.00 66.02 67.71 1wxn s SER 19 CO 0.00 -0.28 0.75 0.00 0.41 0.00 0.00 173.24 174.12 1wxn n PRO 21 N 5.44 1.32 0.00 0.00 -0.04 -1.26 -4.70 135.00 135.76 1wxn n PRO 21 Ca 0.03 -1.99 0.09 0.00 -0.04 0.00 0.00 63.50 61.59 1wxn n PRO 21 Cb 0.49 -3.23 0.54 0.00 -0.04 0.00 0.00 33.50 31.26 1wxn n PRO 21 CO 0.00 0.00 0.00 -2.37 -0.04 0.00 0.00 175.50 173.09 1wxn n THR 22 N 6.92 0.00 1.47 0.52 5.66 -1.26 -1.97 114.28 125.62 1wxn n THR 22 Ca 0.47 0.00 0.15 0.00 -3.05 0.00 0.00 64.05 61.62 1wxn n THR 22 Cb 0.43 -0.39 0.77 0.00 -1.55 0.00 0.00 70.33 69.59 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 -0.82 0.00 -2.15 1.09 9.92 -1.26 -3.74 116.55 119.59 1wxn n ASP 23 Ca 0.14 -0.23 -0.29 0.00 -0.53 0.00 0.00 54.79 53.88 1wxn n ASP 23 Cb 0.06 -0.26 0.07 0.00 -0.64 0.00 0.00 41.12 40.36 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 -1.26 2.92 0.00 -1.24 1.74 -0.83 -4.88 116.66 113.11 1wxn n ARG 24 Ca 0.15 -3.56 0.00 0.00 -0.77 0.00 0.00 57.85 53.67 1wxn n ARG 24 Cb 0.22 -2.25 0.00 0.00 -1.02 0.00 0.00 32.46 29.41 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 2.93 3.69 -0.13 0.00 -1.25 -4.97 105.19 104.59 1wxn n GLY 25 Ca 0.55 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 46.13 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 2.32 0.00 1.61 4.01 -1.26 -4.44 117.16 117.40 1wxn n TYR 26 Ca 0.00 0.40 0.02 0.00 -0.16 0.00 0.00 57.90 58.16 1wxn n TYR 26 Cb 0.00 -2.49 -0.03 0.00 -0.31 0.00 0.00 39.34 36.52 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 1.88 0.00 -4.20 -0.72 5.66 -0.29 -4.83 114.28 111.78 1wxn n THR 27 Ca 0.11 -0.09 -0.16 0.00 -3.05 0.00 0.00 64.05 60.86 1wxn n THR 27 Cb 0.33 0.44 -0.11 0.00 -1.55 0.00 0.00 70.33 69.44 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 -2.37 0.91 -0.37 1.09 0.00 0.58 -5.00 107.32 102.18 1wxn s GLY 28 Ca -0.01 -1.21 0.01 0.00 0.00 0.00 0.00 44.72 43.51 1wxn s GLY 28 CO 0.15 -1.28 0.27 -0.56 0.00 0.00 0.00 173.10 171.67 1wxn s SER 29 N -2.43 2.34 0.23 1.64 0.01 -1.25 -0.84 113.70 113.40 1wxn s SER 29 Ca 0.06 -2.31 -0.07 0.00 1.31 0.00 0.00 55.95 54.94 1wxn s SER 29 Cb -0.04 -0.26 -0.06 0.00 0.21 0.00 0.00 66.02 65.87 1wxn s SER 29 CO 0.01 -0.27 0.51 0.00 0.41 0.00 0.00 173.24 173.90 1wxn s ARG 31 N -3.00 3.76 0.22 0.00 6.06 -1.26 0.32 118.95 125.05 1wxn s ARG 31 Ca 0.45 0.67 0.04 0.00 -2.50 0.00 0.00 55.73 54.38 1wxn s ARG 31 Cb -0.11 -3.89 -0.03 0.00 0.06 0.00 0.00 34.95 30.97 1wxn s ARG 31 CO 0.25 -1.33 0.34 -0.47 -2.50 0.00 0.00 175.30 171.59 1wxn s TYR 32 N 4.41 3.46 0.23 5.12 5.04 0.17 -4.89 117.35 130.90 1wxn s TYR 32 Ca 0.49 0.05 -0.11 0.00 -2.44 0.00 0.00 57.07 55.05 1wxn s TYR 32 Cb -0.08 -1.62 0.32 0.00 0.35 0.00 0.00 41.96 40.93 1wxn s TYR 32 CO 0.30 0.45 1.62 0.74 -1.34 0.00 0.00 175.55 177.31 1wxn h PHE 33 N 1.47 -0.31 -0.64 4.97 0.04 -1.99 -0.94 116.94 119.54 1wxn h PHE 33 Ca -0.51 0.06 0.00 0.00 2.80 0.00 0.00 57.97 60.33 1wxn h PHE 33 Cb 1.22 0.25 0.00 0.00 2.20 0.00 0.00 35.95 39.62 1wxn h PHE 33 CO 0.48 -0.29 0.00 1.28 -0.60 0.00 0.00 178.31 179.18 1wxn n LEU 34 N -5.45 3.58 0.00 1.54 7.99 -1.26 -5.03 117.00 118.37 1wxn n LEU 34 Ca 0.10 -1.76 0.00 0.00 -0.01 0.00 0.00 56.01 54.34 1wxn n LEU 34 Cb 0.39 -0.43 0.00 0.00 -0.11 0.00 0.00 43.42 43.27 1wxn n LEU 34 CO 0.02 0.88 0.00 0.61 -1.51 0.00 0.00 177.39 177.39 1wxn n GLY 35 N 1.57 -0.16 3.35 -0.72 0.00 -0.36 -1.97 105.19 106.90 1wxn n GLY 35 Ca 0.22 -0.58 -0.39 0.00 0.00 0.00 0.00 46.02 45.27 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 -2.02 4.32 -0.76 2.61 2.01 0.11 0.46 115.64 122.37 1wxn s THR 36 Ca 0.00 -0.91 -0.24 0.00 0.31 0.00 0.00 61.69 60.85 1wxn s THR 36 Cb 0.00 -3.40 0.05 0.00 0.01 0.00 0.00 72.50 69.17 1wxn s THR 36 CO 0.00 -0.19 1.18 0.00 -0.69 0.00 0.00 174.62 174.92 1wxn s THR 39 N 2.87 2.50 0.00 0.00 -4.23 -0.02 -1.08 115.64 115.68 1wxn s THR 39 Ca 0.22 -1.03 0.00 0.00 -1.18 0.00 0.00 61.69 59.69 1wxn s THR 39 Cb -0.15 -2.21 0.00 0.00 1.34 0.00 0.00 72.50 71.48 1wxn s THR 39 CO 0.17 0.32 0.00 -0.81 -0.54 0.00 0.00 174.62 173.76 1wxn n PRO 40 N 4.63 0.00 -0.63 3.99 -0.04 -1.10 -0.30 135.00 141.55 1wxn n PRO 40 Ca -0.18 0.00 -0.01 0.00 -0.04 0.00 0.00 63.50 63.27 1wxn n PRO 40 Cb 0.48 0.00 -0.01 0.00 -0.04 0.00 0.00 33.50 33.93 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 -0.60 0.55 0.00 -0.58 -2.94 120.51 116.21 1wxn n ALA 41 Ca 0.00 -0.48 0.00 0.00 0.00 0.00 0.00 53.44 52.96 1wxn n ALA 41 Cb 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 19.45 19.24 1wxn n ALA 41 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03