#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 3.93 0.29 2.61 -4.23 -1.26 -4.96 115.64 112.01 1wxn s THR 2 Ca 0.00 -0.98 -0.29 0.00 -1.18 0.00 0.00 61.69 59.24 1wxn s THR 2 Cb 0.00 -5.01 -0.10 0.00 1.34 0.00 0.00 72.50 68.73 1wxn s THR 2 CO 0.00 -1.88 1.27 0.00 -0.54 0.00 0.00 174.62 173.47 1wxn s ALA 3 N 5.25 3.49 0.01 3.99 0.00 -1.26 -1.30 121.76 131.94 1wxn s ALA 3 Ca 0.50 1.17 -0.04 0.00 0.00 0.00 0.00 51.96 53.59 1wxn s ALA 3 Cb 0.00 -3.45 -0.01 0.00 0.00 0.00 0.00 23.12 19.66 1wxn s ALA 3 CO -0.05 -0.54 0.06 0.00 0.00 0.00 0.00 175.76 175.23 1wxn s SER 5 N -1.24 1.09 -0.45 0.00 1.04 -1.26 -0.33 113.70 112.55 1wxn s SER 5 Ca -0.13 -0.17 0.03 0.00 0.48 0.00 0.00 55.95 56.16 1wxn s SER 5 Cb -0.08 -0.37 0.12 0.00 0.10 0.00 0.00 66.02 65.80 1wxn s SER 5 CO 0.00 0.03 0.21 0.00 0.98 0.00 0.00 173.24 174.46 1wxn n GLY 7 N 3.57 1.32 0.00 0.00 0.00 -1.26 -1.32 105.19 107.50 1wxn n GLY 7 Ca 0.05 0.32 0.01 0.00 0.00 0.00 0.00 46.02 46.41 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 4.30 3.36 -4.73 1.61 2.85 -1.26 -5.02 115.26 116.36 1wxn n ASN 8 Ca 0.00 -0.15 -0.41 0.00 -0.11 0.00 0.00 54.58 53.91 1wxn n ASN 8 Cb 0.00 1.05 -0.04 0.00 1.24 0.00 0.00 39.78 42.03 1wxn n ASN 8 CO 0.00 0.00 0.00 -0.44 -2.11 0.00 0.00 177.26 174.71 1wxn s SER 9 N -1.88 7.44 -0.08 1.20 0.01 -0.44 -4.95 113.70 114.99 1wxn s SER 9 Ca -0.00 1.81 0.04 0.00 1.31 0.00 0.00 55.95 59.11 1wxn s SER 9 Cb 0.01 -2.59 0.00 0.00 0.21 0.00 0.00 66.02 63.65 1wxn s SER 9 CO 0.06 -0.13 -0.22 -0.54 0.41 0.00 0.00 173.24 172.82 1wxn s LYS 10 N 0.17 2.68 0.00 12.44 1.02 -1.13 -0.05 119.74 134.88 1wxn s LYS 10 Ca 0.48 -0.80 0.00 0.00 0.02 0.00 0.00 55.97 55.68 1wxn s LYS 10 Cb -0.24 -2.09 0.00 0.00 -0.52 0.00 0.00 37.83 34.98 1wxn s LYS 10 CO 0.30 0.19 0.00 0.41 -0.92 0.00 0.00 175.35 175.33 1wxn n GLY 11 N 3.45 3.06 3.16 -3.33 0.00 0.55 -0.50 105.19 111.58 1wxn n GLY 11 Ca -0.19 -0.44 -0.26 0.00 0.00 0.00 0.00 46.02 45.12 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 -1.05 1.49 -0.05 -0.61 -1.09 -0.20 -0.37 121.20 119.32 1wxn s ILE 12 Ca 0.00 -0.77 -0.01 0.00 -2.23 0.00 0.00 60.65 57.64 1wxn s ILE 12 Cb 0.00 -1.27 -0.03 0.00 -1.58 0.00 0.00 42.46 39.58 1wxn s ILE 12 CO 0.00 0.43 0.02 -0.72 -1.23 0.00 0.00 174.94 173.43 1wxn s TYR 13 N -0.13 3.17 -0.11 3.97 1.13 -0.42 -0.91 117.35 124.05 1wxn s TYR 13 Ca -0.00 0.18 -0.04 0.00 -1.41 0.00 0.00 57.07 55.80 1wxn s TYR 13 Cb -0.10 -1.75 -0.03 0.00 -1.10 0.00 0.00 41.96 38.97 1wxn s TYR 13 CO 0.01 0.49 0.03 -1.58 -2.51 0.00 0.00 175.55 171.99 1wxn s TRP 14 N -0.98 3.24 -0.56 -3.49 0.52 0.11 -4.76 118.94 113.02 1wxn s TRP 14 Ca 0.16 0.20 -0.28 0.00 0.02 0.00 0.00 56.10 56.20 1wxn s TRP 14 Cb -0.11 -1.87 0.03 0.00 -1.15 0.00 0.00 33.47 30.37 1wxn s TRP 14 CO 0.06 0.44 1.23 -0.06 0.02 0.00 0.00 176.95 178.64 1wxn s PHE 15 N -0.66 2.57 -1.38 -1.98 0.08 -1.26 -0.60 117.98 114.74 1wxn s PHE 15 Ca 0.11 0.47 0.00 0.00 0.12 0.00 0.00 56.93 57.63 1wxn s PHE 15 Cb -0.12 -4.48 0.00 0.00 -0.57 0.00 0.00 43.02 37.85 1wxn s PHE 15 CO 0.02 -1.63 0.00 0.66 -0.10 0.00 0.00 175.22 174.17 1wxn n TYR 16 N 8.57 -0.04 -3.06 0.36 4.02 -1.15 -4.92 117.16 120.94 1wxn n TYR 16 Ca 0.10 0.00 -0.43 0.00 -0.01 0.00 0.00 57.90 57.56 1wxn n TYR 16 Cb 0.49 -2.85 -0.06 0.00 -0.02 0.00 0.00 39.34 36.90 1wxn n TYR 16 CO 0.00 0.00 0.00 1.03 -1.01 0.00 0.00 176.86 176.88 1wxn s ARG 17 N -3.06 3.27 0.00 -0.72 1.81 -1.25 -4.90 118.95 114.10 1wxn s ARG 17 Ca 0.00 -0.44 0.16 0.00 -1.72 0.00 0.00 55.73 53.73 1wxn s ARG 17 Cb 0.00 -4.00 0.94 0.00 -0.45 0.00 0.00 34.95 31.44 1wxn s ARG 17 CO 0.00 -1.14 1.58 -2.30 -0.68 0.00 0.00 175.30 172.76 1wxn n PRO 18 N 6.47 0.96 -3.75 3.54 -0.02 -1.26 -4.50 135.00 136.44 1wxn n PRO 18 Ca -0.02 0.00 -0.36 0.00 -2.02 0.00 0.00 63.50 61.10 1wxn n PRO 18 Cb 0.47 -1.26 -0.10 0.00 -0.02 0.00 0.00 33.50 32.59 1wxn n PRO 18 CO 0.00 0.00 0.00 -1.12 1.98 0.00 0.00 175.50 176.36 1wxn s SER 19 N -1.53 5.16 -0.37 2.55 0.01 -1.26 -5.06 113.70 113.20 1wxn s SER 19 Ca 0.24 -2.75 -0.15 0.00 1.31 0.00 0.00 55.95 54.59 1wxn s SER 19 Cb 0.11 -1.83 0.00 0.00 0.21 0.00 0.00 66.02 64.51 1wxn s SER 19 CO 0.18 -0.38 0.36 0.00 0.41 0.00 0.00 173.24 173.81 1wxn s PRO 21 N 1.95 2.76 0.00 0.00 0.02 -1.26 -4.82 135.00 133.65 1wxn s PRO 21 Ca 0.10 0.58 0.27 0.00 0.02 0.00 0.00 61.00 61.96 1wxn s PRO 21 Cb -0.17 -4.34 1.42 0.00 0.02 0.00 0.00 34.50 31.42 1wxn s PRO 21 CO 0.12 -2.58 1.92 -2.37 -0.33 0.00 0.00 177.00 173.76 1wxn n THR 22 N 7.13 0.11 1.58 0.99 5.66 -1.26 -2.79 114.28 125.70 1wxn n THR 22 Ca 0.19 0.03 0.14 0.00 -3.05 0.00 0.00 64.05 61.35 1wxn n THR 22 Cb 0.51 -0.59 0.78 0.00 -1.55 0.00 0.00 70.33 69.47 1wxn n THR 22 CO 0.00 0.00 0.00 -0.90 -3.05 0.00 0.00 175.07 171.12 1wxn n ASP 23 N -1.20 0.00 -1.41 1.09 5.68 -1.26 -2.40 116.55 117.04 1wxn n ASP 23 Ca 0.15 -0.59 0.05 0.00 -0.50 0.00 0.00 54.79 53.90 1wxn n ASP 23 Cb 0.17 -0.11 0.27 0.00 -1.14 0.00 0.00 41.12 40.32 1wxn n ASP 23 CO 0.00 0.00 0.00 0.54 -1.33 0.00 0.00 177.20 176.41 1wxn n ARG 24 N -1.11 3.55 -2.20 0.11 1.74 -1.12 -4.88 116.66 112.76 1wxn n ARG 24 Ca 0.18 -2.07 -0.09 0.00 -0.77 0.00 0.00 57.85 55.10 1wxn n ARG 24 Cb 0.14 -2.00 -0.00 0.00 -1.02 0.00 0.00 32.46 29.58 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 0.43 0.01 3.72 -0.13 0.00 -1.01 -4.93 105.19 103.28 1wxn n GLY 25 Ca 0.18 -0.51 -0.42 0.00 0.00 0.00 0.00 46.02 45.28 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 -2.47 3.32 -0.22 1.61 2.02 -1.21 -4.48 117.35 115.92 1wxn s TYR 26 Ca 0.01 1.10 -0.08 0.00 -0.37 0.00 0.00 57.07 57.73 1wxn s TYR 26 Cb -0.00 -3.58 -0.18 0.00 -0.40 0.00 0.00 41.96 37.80 1wxn s TYR 26 CO 0.01 -1.93 -0.05 2.41 -1.57 0.00 0.00 175.55 174.42 1wxn n THR 27 N 3.85 1.58 -4.45 -0.71 -1.04 -0.01 -4.87 114.28 108.63 1wxn n THR 27 Ca 0.10 -0.45 -0.22 0.00 -2.04 0.00 0.00 64.05 61.45 1wxn n THR 27 Cb 0.44 -1.72 -0.11 0.00 -1.82 0.00 0.00 70.33 67.12 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 -5.75 2.01 -0.11 3.41 0.00 0.68 -5.00 107.32 102.56 1wxn s GLY 28 Ca -0.32 -2.02 -0.03 0.00 0.00 0.00 0.00 44.72 42.35 1wxn s GLY 28 CO 0.61 -1.84 0.08 -0.56 0.00 0.00 0.00 173.10 171.40 1wxn s SER 29 N -3.48 1.65 0.28 1.64 0.01 -1.26 -1.28 113.70 111.26 1wxn s SER 29 Ca 0.34 -0.22 0.11 0.00 1.31 0.00 0.00 55.95 57.49 1wxn s SER 29 Cb 0.07 -0.14 -0.05 0.00 0.21 0.00 0.00 66.02 66.12 1wxn s SER 29 CO 0.14 -0.30 -0.14 0.00 0.41 0.00 0.00 173.24 173.36 1wxn s ARG 31 N -3.56 3.33 0.18 0.00 6.06 -1.26 0.13 118.95 123.83 1wxn s ARG 31 Ca 0.30 -0.28 -0.05 0.00 -2.50 0.00 0.00 55.73 53.21 1wxn s ARG 31 Cb -0.05 -3.96 -0.06 0.00 0.06 0.00 0.00 34.95 30.94 1wxn s ARG 31 CO 0.17 -1.11 0.42 -0.47 -2.50 0.00 0.00 175.30 171.81 1wxn s TYR 32 N 3.11 3.47 0.25 5.12 6.14 0.29 -4.91 117.35 130.82 1wxn s TYR 32 Ca 0.26 0.58 -0.08 0.00 0.64 0.00 0.00 57.07 58.47 1wxn s TYR 32 Cb -0.13 -2.03 0.41 0.00 0.42 0.00 0.00 41.96 40.63 1wxn s TYR 32 CO 0.20 0.37 1.60 0.74 0.64 0.00 0.00 175.55 179.11 1wxn h PHE 33 N 2.53 -0.27 -0.21 4.97 0.04 -2.00 -0.93 116.94 121.06 1wxn h PHE 33 Ca -0.47 0.07 0.00 0.00 2.80 0.00 0.00 57.97 60.37 1wxn h PHE 33 Cb 1.17 0.25 0.00 0.00 2.20 0.00 0.00 35.95 39.57 1wxn h PHE 33 CO 0.60 -0.32 0.00 1.28 -0.60 0.00 0.00 178.31 179.27 1wxn n LEU 34 N -5.47 2.68 0.00 1.54 7.99 -1.26 -5.03 117.00 117.45 1wxn n LEU 34 Ca 0.13 -1.07 0.00 0.00 -0.01 0.00 0.00 56.01 55.07 1wxn n LEU 34 Cb 0.46 -0.13 0.00 0.00 -0.11 0.00 0.00 43.42 43.64 1wxn n LEU 34 CO -0.01 0.53 0.00 0.61 -1.51 0.00 0.00 177.39 177.01 1wxn n GLY 35 N 1.34 -0.50 3.62 -0.72 0.00 -0.35 -2.92 105.19 105.65 1wxn n GLY 35 Ca 0.17 -0.96 -0.42 0.00 0.00 0.00 0.00 46.02 44.81 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 -3.35 4.84 -0.46 2.61 2.01 0.23 -0.55 115.64 120.98 1wxn s THR 36 Ca 0.00 1.19 -0.22 0.00 0.31 0.00 0.00 61.69 62.97 1wxn s THR 36 Cb 0.00 -4.09 0.03 0.00 0.01 0.00 0.00 72.50 68.45 1wxn s THR 36 CO 0.00 -0.17 0.75 0.00 -0.69 0.00 0.00 174.62 174.51 1wxn s THR 39 N 1.61 3.18 0.00 0.00 -4.23 -0.40 -1.04 115.64 114.75 1wxn s THR 39 Ca 0.04 -1.07 0.00 0.00 -1.18 0.00 0.00 61.69 59.48 1wxn s THR 39 Cb -0.21 -2.69 0.00 0.00 1.34 0.00 0.00 72.50 70.94 1wxn s THR 39 CO 0.07 0.07 0.00 -0.81 -0.54 0.00 0.00 174.62 173.41 1wxn n PRO 40 N 4.70 0.00 -2.72 3.99 -0.04 -1.18 -0.23 135.00 139.52 1wxn n PRO 40 Ca -0.15 0.00 -0.08 0.00 -0.04 0.00 0.00 63.50 63.23 1wxn n PRO 40 Cb 0.46 0.00 0.10 0.00 -0.04 0.00 0.00 33.50 34.02 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 -0.19 1.11 0.55 0.00 -0.81 -2.82 120.51 115.35 1wxn n ALA 41 Ca 0.00 -1.39 0.12 0.00 0.00 0.00 0.00 53.44 52.17 1wxn n ALA 41 Cb 0.00 -1.13 0.20 0.00 0.00 0.00 0.00 19.45 18.52 1wxn n ALA 41 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03