#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wxn s THR 2 N 0.00 4.31 0.20 2.61 -4.23 -1.26 -4.99 115.64 112.28 1wxn s THR 2 Ca 0.00 -1.73 -0.25 0.00 -1.18 0.00 0.00 61.69 58.52 1wxn s THR 2 Cb 0.00 -5.06 -0.08 0.00 1.34 0.00 0.00 72.50 68.69 1wxn s THR 2 CO 0.00 -1.87 0.81 0.00 -0.54 0.00 0.00 174.62 173.02 1wxn s ALA 3 N 3.73 3.41 0.12 3.99 0.00 -1.26 -0.22 121.76 131.54 1wxn s ALA 3 Ca 0.48 0.39 -0.04 0.00 0.00 0.00 0.00 51.96 52.78 1wxn s ALA 3 Cb 0.01 -3.00 -0.03 0.00 0.00 0.00 0.00 23.12 20.11 1wxn s ALA 3 CO 0.00 0.28 0.12 0.00 0.00 0.00 0.00 175.76 176.15 1wxn s SER 5 N -2.98 2.04 -0.66 0.00 0.01 -1.26 -1.48 113.70 109.37 1wxn s SER 5 Ca 0.16 -0.35 0.01 0.00 1.31 0.00 0.00 55.95 57.09 1wxn s SER 5 Cb 0.06 -0.85 0.16 0.00 0.21 0.00 0.00 66.02 65.61 1wxn s SER 5 CO -0.03 0.08 0.46 0.00 0.41 0.00 0.00 173.24 174.16 1wxn n GLY 7 N 2.82 0.79 0.09 0.00 0.00 -1.26 -0.99 105.19 106.64 1wxn n GLY 7 Ca 0.12 0.51 -0.02 0.00 0.00 0.00 0.00 46.02 46.64 1wxn n GLY 7 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1wxn n ASN 8 N 9.76 0.79 -4.68 1.61 5.15 -1.26 -4.86 115.26 121.76 1wxn n ASN 8 Ca 0.00 0.35 -0.40 0.00 -0.60 0.00 0.00 54.58 53.93 1wxn n ASN 8 Cb 0.00 0.23 -0.05 0.00 -0.53 0.00 0.00 39.78 39.43 1wxn n ASN 8 CO 0.00 0.00 0.00 -0.94 1.40 0.00 0.00 177.26 177.72 1wxn s SER 9 N -5.77 6.88 -0.05 1.20 1.04 -0.16 -4.97 113.70 111.88 1wxn s SER 9 Ca -0.04 1.08 0.05 0.00 0.48 0.00 0.00 55.95 57.52 1wxn s SER 9 Cb 0.09 -2.41 -0.01 0.00 0.10 0.00 0.00 66.02 63.79 1wxn s SER 9 CO 0.82 -0.25 -0.20 -0.54 0.98 0.00 0.00 173.24 174.04 1wxn s LYS 10 N 1.57 2.03 0.00 4.02 1.02 -1.14 0.21 119.74 127.44 1wxn s LYS 10 Ca 0.35 -0.72 0.00 0.00 0.02 0.00 0.00 55.97 55.62 1wxn s LYS 10 Cb -0.17 -1.76 0.00 0.00 -0.52 0.00 0.00 37.83 35.38 1wxn s LYS 10 CO 0.14 0.31 0.00 0.41 -0.92 0.00 0.00 175.35 175.28 1wxn n GLY 11 N 3.03 2.39 3.25 -3.33 0.00 -0.55 -1.84 105.19 108.14 1wxn n GLY 11 Ca -0.18 -0.21 -0.31 0.00 0.00 0.00 0.00 46.02 45.32 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 -0.31 1.97 -0.09 -0.61 -1.09 -0.37 -0.38 121.20 120.31 1wxn s ILE 12 Ca 0.00 -1.02 -0.04 0.00 -2.23 0.00 0.00 60.65 57.36 1wxn s ILE 12 Cb 0.00 -1.67 -0.04 0.00 -1.58 0.00 0.00 42.46 39.17 1wxn s ILE 12 CO 0.00 0.55 0.07 -0.72 -1.23 0.00 0.00 174.94 173.61 1wxn s TYR 13 N -0.12 3.37 -0.07 3.97 1.13 0.70 -0.40 117.35 125.92 1wxn s TYR 13 Ca -0.04 0.34 0.01 0.00 -1.41 0.00 0.00 57.07 55.96 1wxn s TYR 13 Cb -0.14 -1.85 -0.03 0.00 -1.10 0.00 0.00 41.96 38.85 1wxn s TYR 13 CO 0.04 0.60 -0.07 -1.58 -2.51 0.00 0.00 175.55 172.03 1wxn s TRP 14 N -0.99 2.95 -0.50 -3.49 0.52 0.31 -4.69 118.94 113.05 1wxn s TRP 14 Ca 0.15 0.01 -0.28 0.00 0.02 0.00 0.00 56.10 56.00 1wxn s TRP 14 Cb -0.12 -1.72 0.02 0.00 -1.15 0.00 0.00 33.47 30.50 1wxn s TRP 14 CO 0.05 0.32 1.33 -0.06 0.02 0.00 0.00 176.95 178.61 1wxn s PHE 15 N -0.77 2.46 -1.51 -1.98 0.08 -1.26 -0.81 117.98 114.20 1wxn s PHE 15 Ca 0.12 0.57 -0.13 0.00 0.12 0.00 0.00 56.93 57.61 1wxn s PHE 15 Cb -0.11 -4.40 0.08 0.00 -0.57 0.00 0.00 43.02 38.02 1wxn s PHE 15 CO 0.02 -1.79 0.92 0.66 -0.10 0.00 0.00 175.22 174.93 1wxn n TYR 16 N 8.86 -2.25 -3.92 0.36 4.01 -0.14 -4.93 117.16 119.15 1wxn n TYR 16 Ca 0.13 0.85 -0.30 0.00 -0.16 0.00 0.00 57.90 58.41 1wxn n TYR 16 Cb 0.49 -3.92 -0.14 0.00 -0.31 0.00 0.00 39.34 35.46 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 -6.51 1.77 -1.09 -0.72 0.52 -1.20 -5.01 118.95 106.70 1wxn s ARG 17 Ca 0.62 -2.39 -0.07 0.00 -0.52 0.00 0.00 55.73 53.38 1wxn s ARG 17 Cb -0.31 -3.12 -0.04 0.00 0.52 0.00 0.00 34.95 31.99 1wxn s ARG 17 CO 0.77 -1.09 2.89 -0.35 0.02 0.00 0.00 175.30 177.55 1wxn n PRO 18 N 3.38 3.50 -2.99 3.54 -0.04 -1.26 -4.37 135.00 136.75 1wxn n PRO 18 Ca 0.05 -2.37 -0.12 0.00 -0.04 0.00 0.00 63.50 61.02 1wxn n PRO 18 Cb 0.34 -2.52 -0.03 0.00 -0.04 0.00 0.00 33.50 31.25 1wxn n PRO 18 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 1wxn n SER 19 N 2.50 -2.38 -4.64 3.54 7.64 -1.26 -5.12 113.62 113.90 1wxn n SER 19 Ca 0.64 -2.73 -0.43 0.00 1.01 0.00 0.00 58.87 57.36 1wxn n SER 19 Cb 0.40 0.93 -0.02 0.00 -1.01 0.00 0.00 64.21 64.50 1wxn n SER 19 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1wxn n PRO 21 N 7.33 2.11 0.19 0.00 -0.02 -1.26 -4.87 135.00 138.47 1wxn n PRO 21 Ca 0.17 0.77 0.12 0.00 -2.02 0.00 0.00 63.50 62.54 1wxn n PRO 21 Cb 0.45 -2.59 0.25 0.00 -0.02 0.00 0.00 33.50 31.60 1wxn n PRO 21 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1wxn h THR 22 N 4.96 0.00 0.00 3.45 1.03 -1.92 -2.99 112.91 117.44 1wxn h THR 22 Ca -0.48 -0.84 0.00 0.00 -0.01 0.00 0.00 66.41 65.09 1wxn h THR 22 Cb 1.27 1.84 0.00 0.00 -1.07 0.00 0.00 68.15 70.19 1wxn h THR 22 CO 0.93 0.00 0.00 -2.24 -0.01 0.00 0.00 175.52 174.20 1wxn h ASP 23 N 0.00 0.00 0.87 0.00 2.03 -1.96 -2.46 116.42 114.90 1wxn h ASP 23 Ca 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.30 1wxn h ASP 23 Cb 0.91 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.41 1wxn h ASP 23 CO 0.00 0.00 -0.03 0.54 -1.03 0.00 0.00 179.24 178.72 1wxn n ARG 24 N -2.90 0.11 -1.13 4.15 5.12 -1.13 -4.91 116.66 115.98 1wxn n ARG 24 Ca 0.04 -0.01 -0.00 0.00 -1.93 0.00 0.00 57.85 55.95 1wxn n ARG 24 Cb 0.49 -1.50 -0.00 0.00 -1.16 0.00 0.00 32.46 30.29 1wxn n ARG 24 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1wxn n GLY 25 N 1.45 0.40 3.70 -0.13 0.00 -0.93 -4.98 105.19 104.71 1wxn n GLY 25 Ca 0.09 -1.05 -0.42 0.00 0.00 0.00 0.00 46.02 44.63 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 -2.02 2.70 -0.20 1.61 2.02 -1.23 -4.51 117.35 115.72 1wxn s TYR 26 Ca 0.00 0.41 -0.09 0.00 -0.37 0.00 0.00 57.07 57.02 1wxn s TYR 26 Cb 0.00 -3.99 -0.20 0.00 -0.40 0.00 0.00 41.96 37.37 1wxn s TYR 26 CO 0.00 -3.85 0.05 2.41 -1.57 0.00 0.00 175.55 172.60 1wxn n THR 27 N 4.35 1.61 -4.47 -0.71 -1.04 -0.34 -4.85 114.28 108.84 1wxn n THR 27 Ca 0.15 -0.45 -0.27 0.00 -2.04 0.00 0.00 64.05 61.45 1wxn n THR 27 Cb 0.39 -1.75 -0.10 0.00 -1.82 0.00 0.00 70.33 67.05 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 -5.65 2.37 -0.43 3.41 0.00 0.12 -4.96 107.32 102.18 1wxn s GLY 28 Ca -0.30 -2.19 0.05 0.00 0.00 0.00 0.00 44.72 42.28 1wxn s GLY 28 CO 0.64 -2.02 0.45 1.44 0.00 0.00 0.00 173.10 173.61 1wxn n SER 29 N -1.00 -0.98 -4.82 1.64 7.64 -1.24 -1.13 113.62 113.73 1wxn n SER 29 Ca -0.04 -2.54 -0.34 0.00 1.01 0.00 0.00 58.87 56.96 1wxn n SER 29 Cb 0.65 -0.09 -0.07 0.00 -1.01 0.00 0.00 64.21 63.69 1wxn n SER 29 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1wxn s ARG 31 N -2.84 3.61 0.23 0.00 6.06 -1.26 0.67 118.95 125.42 1wxn s ARG 31 Ca 0.57 0.23 0.05 0.00 -2.50 0.00 0.00 55.73 54.08 1wxn s ARG 31 Cb -0.12 -3.89 -0.03 0.00 0.06 0.00 0.00 34.95 30.97 1wxn s ARG 31 CO 0.16 -1.11 0.31 -0.47 -2.50 0.00 0.00 175.30 171.70 1wxn s TYR 32 N 3.56 3.39 0.27 5.12 5.04 0.17 -4.91 117.35 129.99 1wxn s TYR 32 Ca 0.36 -0.02 -0.01 0.00 -2.44 0.00 0.00 57.07 54.96 1wxn s TYR 32 Cb -0.11 -1.55 0.60 0.00 0.35 0.00 0.00 41.96 41.24 1wxn s TYR 32 CO 0.23 0.47 1.66 0.35 -1.34 0.00 0.00 175.55 176.92 1wxn h PHE 33 N 1.41 0.31 -0.16 4.97 3.57 -2.00 -1.08 116.94 123.96 1wxn h PHE 33 Ca -0.51 0.05 0.00 0.00 3.53 0.00 0.00 57.97 61.04 1wxn h PHE 33 Cb 1.23 -0.01 0.00 0.00 2.79 0.00 0.00 35.95 39.96 1wxn h PHE 33 CO 0.48 -0.15 0.00 1.28 -2.23 0.00 0.00 178.31 177.69 1wxn n LEU 34 N -5.20 3.05 0.00 0.59 7.99 -1.26 -5.02 117.00 117.16 1wxn n LEU 34 Ca 0.18 -1.20 0.00 0.00 -0.01 0.00 0.00 56.01 54.98 1wxn n LEU 34 Cb 0.58 -0.09 0.00 0.00 -0.11 0.00 0.00 43.42 43.80 1wxn n LEU 34 CO 0.09 0.58 0.00 0.61 -1.51 0.00 0.00 177.39 177.16 1wxn n GLY 35 N 1.31 -0.64 3.29 -0.72 0.00 -0.41 -0.97 105.19 107.05 1wxn n GLY 35 Ca 0.15 -0.41 -0.35 0.00 0.00 0.00 0.00 46.02 45.41 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 3.17 -0.87 2.61 2.01 0.01 0.45 115.64 119.03 1wxn s THR 36 Ca 0.00 -0.56 -0.25 0.00 0.31 0.00 0.00 61.69 61.19 1wxn s THR 36 Cb 0.00 -2.43 0.04 0.00 0.01 0.00 0.00 72.50 70.12 1wxn s THR 36 CO 0.00 0.45 1.38 0.00 -0.69 0.00 0.00 174.62 175.76 1wxn s THR 39 N 4.97 3.48 0.00 0.00 -4.23 -0.29 -1.24 115.64 118.33 1wxn s THR 39 Ca 0.34 -1.21 0.00 0.00 -1.18 0.00 0.00 61.69 59.64 1wxn s THR 39 Cb -0.08 -2.97 0.00 0.00 1.34 0.00 0.00 72.50 70.78 1wxn s THR 39 CO 0.07 -0.14 0.00 -0.81 -0.54 0.00 0.00 174.62 173.20 1wxn n PRO 40 N 4.74 0.00 -1.90 3.99 -0.04 -1.16 0.13 135.00 140.77 1wxn n PRO 40 Ca -0.13 0.00 -0.01 0.00 -0.04 0.00 0.00 63.50 63.32 1wxn n PRO 40 Cb 0.44 0.00 0.05 0.00 -0.04 0.00 0.00 33.50 33.95 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 0.66 0.77 0.55 0.00 -0.77 -2.90 120.51 115.83 1wxn n ALA 41 Ca 0.00 -0.50 0.09 0.00 0.00 0.00 0.00 53.44 53.04 1wxn n ALA 41 Cb 0.00 -0.61 0.08 0.00 0.00 0.00 0.00 19.45 18.92 1wxn n ALA 41 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03