#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 4.48 -2.61 2.61 -2.24 -1.26 -4.92 114.28 110.34 1wxn n THR 2 Ca 0.00 -2.89 -0.43 0.00 -2.27 0.00 0.00 64.05 58.46 1wxn n THR 2 Cb 0.00 -2.51 -0.02 0.00 -2.10 0.00 0.00 70.33 65.70 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 1.54 3.51 0.38 6.98 0.00 -1.26 -1.43 121.76 131.48 1wxn s ALA 3 Ca 0.67 0.00 0.08 0.00 0.00 0.00 0.00 51.96 52.71 1wxn s ALA 3 Cb 0.18 -3.67 -0.06 0.00 0.00 0.00 0.00 23.12 19.57 1wxn s ALA 3 CO -0.07 -1.46 0.03 0.00 0.00 0.00 0.00 175.76 174.27 1wxn s SER 5 N -3.74 0.56 -0.70 0.00 1.04 -1.26 -0.30 113.70 109.30 1wxn s SER 5 Ca 0.36 0.00 -0.08 0.00 0.48 0.00 0.00 55.95 56.71 1wxn s SER 5 Cb 0.05 -0.19 0.18 0.00 0.10 0.00 0.00 66.02 66.16 1wxn s SER 5 CO 0.19 -0.14 0.58 0.00 0.98 0.00 0.00 173.24 174.85 1wxn n GLY 7 N 3.78 1.35 0.54 0.00 0.00 -1.26 -1.46 105.19 108.13 1wxn n GLY 7 Ca 0.09 0.18 0.07 0.00 0.00 0.00 0.00 46.02 46.37 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 8.36 2.09 -4.65 1.61 3.02 -1.26 -4.93 115.26 119.50 1wxn n ASN 8 Ca 0.00 -1.54 -0.39 0.00 -0.03 0.00 0.00 54.58 52.62 1wxn n ASN 8 Cb 0.00 0.09 -0.07 0.00 -0.61 0.00 0.00 39.78 39.18 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 -1.32 6.45 -0.17 6.41 0.01 -0.54 -4.93 113.70 119.61 1wxn s SER 9 Ca 0.16 0.53 -0.03 0.00 1.31 0.00 0.00 55.95 57.92 1wxn s SER 9 Cb 0.12 -2.26 -0.02 0.00 0.21 0.00 0.00 66.02 64.07 1wxn s SER 9 CO 0.22 -0.18 -0.05 -0.54 0.41 0.00 0.00 173.24 173.10 1wxn s LYS 10 N 1.76 3.55 0.00 12.44 3.01 -0.79 0.23 119.74 139.94 1wxn s LYS 10 Ca 0.20 -0.57 0.00 0.00 -1.01 0.00 0.00 55.97 54.59 1wxn s LYS 10 Cb -0.15 -2.92 0.00 0.00 -1.01 0.00 0.00 37.83 33.75 1wxn s LYS 10 CO 0.09 0.10 0.00 0.41 0.51 0.00 0.00 175.35 176.46 1wxn n GLY 11 N 3.93 4.01 3.12 -3.33 0.00 0.59 -2.83 105.19 110.68 1wxn n GLY 11 Ca -0.18 -0.90 -0.27 0.00 0.00 0.00 0.00 46.02 44.67 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 -1.38 1.49 -0.10 -0.61 -1.09 -0.30 -0.13 121.20 119.09 1wxn s ILE 12 Ca 0.00 -0.72 -0.05 0.00 -2.23 0.00 0.00 60.65 57.65 1wxn s ILE 12 Cb 0.00 -1.30 -0.04 0.00 -1.58 0.00 0.00 42.46 39.54 1wxn s ILE 12 CO 0.00 0.43 0.09 -0.72 -1.23 0.00 0.00 174.94 173.51 1wxn s TYR 13 N 0.28 3.43 -0.06 3.97 1.13 -0.52 -0.81 117.35 124.78 1wxn s TYR 13 Ca -0.10 0.40 -0.02 0.00 -1.41 0.00 0.00 57.07 55.93 1wxn s TYR 13 Cb -0.14 -1.88 -0.04 0.00 -1.10 0.00 0.00 41.96 38.80 1wxn s TYR 13 CO 0.04 0.64 0.06 -1.58 -2.51 0.00 0.00 175.55 172.20 1wxn s TRP 14 N -0.99 3.29 -0.10 -3.49 0.52 0.54 -4.83 118.94 113.88 1wxn s TRP 14 Ca 0.15 0.26 -0.30 0.00 0.02 0.00 0.00 56.10 56.23 1wxn s TRP 14 Cb -0.12 -1.80 -0.02 0.00 -1.15 0.00 0.00 33.47 30.39 1wxn s TRP 14 CO 0.04 0.55 1.07 -0.06 0.02 0.00 0.00 176.95 178.57 1wxn s PHE 15 N -1.03 3.39 -0.54 -1.98 0.08 -1.26 -0.65 117.98 115.99 1wxn s PHE 15 Ca 0.17 1.46 0.00 0.00 0.12 0.00 0.00 56.93 58.69 1wxn s PHE 15 Cb -0.12 -3.27 0.00 0.00 -0.57 0.00 0.00 43.02 39.06 1wxn s PHE 15 CO 0.07 -0.59 0.00 2.48 -0.10 0.00 0.00 175.22 177.08 1wxn n TYR 16 N 5.22 -1.27 -3.08 0.36 0.18 -0.91 -4.91 117.16 112.75 1wxn n TYR 16 Ca 0.10 0.00 -0.41 0.00 1.88 0.00 0.00 57.90 59.46 1wxn n TYR 16 Cb 0.48 -1.74 -0.06 0.00 -0.38 0.00 0.00 39.34 37.63 1wxn n TYR 16 CO 0.00 0.00 0.00 1.03 -2.08 0.00 0.00 176.86 175.81 1wxn s ARG 17 N -3.85 3.89 -0.05 -3.48 0.52 -1.25 -4.94 118.95 109.79 1wxn s ARG 17 Ca 0.00 0.34 0.01 0.00 -0.52 0.00 0.00 55.73 55.56 1wxn s ARG 17 Cb 0.00 -3.73 0.10 0.00 0.52 0.00 0.00 34.95 31.83 1wxn s ARG 17 CO 0.00 -0.61 0.99 -0.35 0.02 0.00 0.00 175.30 175.35 1wxn n PRO 18 N 5.96 1.28 -3.51 3.54 -0.04 -1.26 -4.23 135.00 136.74 1wxn n PRO 18 Ca -0.00 -0.41 -0.15 0.00 -0.04 0.00 0.00 63.50 62.90 1wxn n PRO 18 Cb 0.49 -1.29 -0.05 0.00 -0.04 0.00 0.00 33.50 32.61 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 0.45 -0.58 -0.29 3.54 0.15 -1.26 -5.15 113.70 110.57 1wxn s SER 19 Ca 0.08 0.38 -0.07 0.00 0.70 0.00 0.00 55.95 57.04 1wxn s SER 19 Cb 0.06 0.54 0.00 0.00 -1.71 0.00 0.00 66.02 64.92 1wxn s SER 19 CO 0.02 -0.74 0.07 0.00 1.20 0.00 0.00 173.24 173.79 1wxn s PRO 21 N 1.51 3.64 -0.97 0.00 0.05 -1.26 -4.91 135.00 133.06 1wxn s PRO 21 Ca 0.03 -1.73 -0.13 0.00 0.05 0.00 0.00 61.00 59.22 1wxn s PRO 21 Cb -0.17 -5.46 0.22 0.00 0.05 0.00 0.00 34.50 29.14 1wxn s PRO 21 CO 0.02 -2.60 1.00 -0.08 0.05 0.00 0.00 177.00 175.39 1wxn s THR 22 N 5.70 5.54 -0.55 1.26 -1.32 -1.26 -4.43 115.64 120.58 1wxn s THR 22 Ca 0.56 -2.64 0.04 0.00 -1.21 0.00 0.00 61.69 58.44 1wxn s THR 22 Cb 0.03 -4.61 0.04 0.00 -1.51 0.00 0.00 72.50 66.45 1wxn s THR 22 CO 0.07 -1.21 0.68 -0.67 -2.21 0.00 0.00 174.62 171.28 1wxn n ASP 23 N 4.16 1.46 0.01 8.08 2.03 -1.26 -4.62 116.55 126.41 1wxn n ASP 23 Ca 0.21 -1.25 0.11 0.00 0.52 0.00 0.00 54.79 54.37 1wxn n ASP 23 Cb 0.45 -0.01 0.02 0.00 -0.72 0.00 0.00 41.12 40.86 1wxn n ASP 23 CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82 1wxn n ARG 24 N 0.22 0.11 -0.56 -0.67 5.12 -1.26 -4.97 116.66 114.65 1wxn n ARG 24 Ca 0.03 -0.01 0.00 0.00 -1.93 0.00 0.00 57.85 55.94 1wxn n ARG 24 Cb 0.13 -1.53 0.00 0.00 -1.16 0.00 0.00 32.46 29.90 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 0.60 3.59 -0.13 0.00 -1.26 -5.05 105.19 104.40 1wxn n GLY 25 Ca 0.03 -0.29 -0.42 0.00 0.00 0.00 0.00 46.02 45.35 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 -1.80 3.16 -0.09 1.61 2.02 -1.26 -4.35 117.35 116.65 1wxn s TYR 26 Ca 0.00 0.59 -0.22 0.00 -0.37 0.00 0.00 57.07 57.07 1wxn s TYR 26 Cb 0.00 -3.23 -0.28 0.00 -0.40 0.00 0.00 41.96 38.04 1wxn s TYR 26 CO 0.00 -0.62 0.75 1.15 -1.57 0.00 0.00 175.55 175.25 1wxn h THR 27 N 5.66 1.43 -2.16 -0.71 2.02 -1.05 -3.47 112.91 114.64 1wxn h THR 27 Ca -0.25 -2.44 -0.55 0.00 0.77 0.00 0.00 66.41 63.93 1wxn h THR 27 Cb 1.10 3.07 -0.09 0.00 -1.74 0.00 0.00 68.15 70.50 1wxn h THR 27 CO 0.87 0.66 -0.62 -0.83 0.37 0.00 0.00 175.52 175.97 1wxn s GLY 28 N -4.53 1.68 -0.42 2.16 0.00 0.42 -4.95 107.32 101.68 1wxn s GLY 28 Ca -0.17 -1.66 0.04 0.00 0.00 0.00 0.00 44.72 42.93 1wxn s GLY 28 CO 0.77 -1.71 0.41 -0.56 0.00 0.00 0.00 173.10 172.01 1wxn s SER 29 N -3.71 0.92 -0.02 1.64 0.01 -1.25 -0.14 113.70 111.15 1wxn s SER 29 Ca 0.32 -2.63 -0.08 0.00 1.31 0.00 0.00 55.95 54.87 1wxn s SER 29 Cb -0.06 0.11 -0.05 0.00 0.21 0.00 0.00 66.02 66.24 1wxn s SER 29 CO 0.21 -0.16 0.27 0.00 0.41 0.00 0.00 173.24 173.97 1wxn s ARG 31 N -1.46 4.28 0.50 0.00 3.52 -1.26 0.82 118.95 125.35 1wxn s ARG 31 Ca 0.24 1.38 -0.02 0.00 -0.13 0.00 0.00 55.73 57.20 1wxn s ARG 31 Cb -0.14 -3.63 -0.00 0.00 -1.56 0.00 0.00 34.95 29.62 1wxn s ARG 31 CO 0.13 -0.58 0.75 -0.47 -0.81 0.00 0.00 175.30 174.31 1wxn s TYR 32 N 3.02 3.25 0.37 5.12 5.04 0.25 -4.85 117.35 129.55 1wxn s TYR 32 Ca 0.45 0.40 0.18 0.00 -2.44 0.00 0.00 57.07 55.66 1wxn s TYR 32 Cb -0.16 -2.44 1.15 0.00 0.35 0.00 0.00 41.96 40.86 1wxn s TYR 32 CO 0.08 -0.50 1.67 0.74 -1.34 0.00 0.00 175.55 176.21 1wxn h PHE 33 N 0.21 0.82 -0.20 4.97 0.04 -2.01 -1.42 116.94 119.36 1wxn h PHE 33 Ca -0.46 0.03 0.00 0.00 2.80 0.00 0.00 57.97 60.34 1wxn h PHE 33 Cb 1.25 -0.22 0.00 0.00 2.20 0.00 0.00 35.95 39.18 1wxn h PHE 33 CO 0.47 -0.15 0.00 1.28 -0.60 0.00 0.00 178.31 179.31 1wxn n LEU 34 N -4.93 2.69 0.00 1.54 7.99 -1.26 -5.07 117.00 117.96 1wxn n LEU 34 Ca 0.32 -2.20 0.00 0.00 -0.01 0.00 0.00 56.01 54.12 1wxn n LEU 34 Cb 1.05 -0.21 0.00 0.00 -0.11 0.00 0.00 43.42 44.15 1wxn n LEU 34 CO 0.14 0.65 0.00 0.61 -1.51 0.00 0.00 177.39 177.27 1wxn n GLY 35 N -0.08 -0.78 3.58 -0.72 0.00 -0.54 -2.13 105.19 104.53 1wxn n GLY 35 Ca 0.09 -1.05 -0.40 0.00 0.00 0.00 0.00 46.02 44.66 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 -3.00 5.13 -0.54 2.61 2.01 0.18 0.83 115.64 122.86 1wxn s THR 36 Ca 0.00 0.43 -0.24 0.00 0.31 0.00 0.00 61.69 62.20 1wxn s THR 36 Cb 0.00 -3.80 0.04 0.00 0.01 0.00 0.00 72.50 68.75 1wxn s THR 36 CO 0.00 0.01 0.90 0.00 -0.69 0.00 0.00 174.62 174.84 1wxn s THR 39 N 2.93 3.70 0.00 0.00 -4.23 0.80 -1.15 115.64 117.69 1wxn s THR 39 Ca 0.25 -0.85 0.00 0.00 -1.18 0.00 0.00 61.69 59.91 1wxn s THR 39 Cb -0.14 -2.94 0.00 0.00 1.34 0.00 0.00 72.50 70.76 1wxn s THR 39 CO 0.19 0.05 0.00 -0.81 -0.54 0.00 0.00 174.62 173.51 1wxn n PRO 40 N 4.81 3.41 -3.31 3.99 -0.04 -1.24 -0.38 135.00 142.23 1wxn n PRO 40 Ca -0.14 0.00 -0.26 0.00 -0.04 0.00 0.00 63.50 63.06 1wxn n PRO 40 Cb 0.47 0.00 -0.08 0.00 -0.04 0.00 0.00 33.50 33.85 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 3.22 1.74 0.55 0.00 -1.25 -1.88 120.51 119.89 1wxn n ALA 41 Ca 0.00 -4.05 0.15 0.00 0.00 0.00 0.00 53.44 49.54 1wxn n ALA 41 Cb 0.00 -0.85 0.73 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