#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 4.58 -2.92 2.61 -2.24 -1.26 -4.93 114.28 110.11 1wxn n THR 2 Ca 0.00 -3.12 -0.41 0.00 -2.27 0.00 0.00 64.05 58.26 1wxn n THR 2 Cb 0.00 -2.42 -0.04 0.00 -2.10 0.00 0.00 70.33 65.77 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 1.03 3.28 0.04 6.98 0.00 -1.26 -1.33 121.76 130.50 1wxn s ALA 3 Ca 0.65 0.27 0.09 0.00 0.00 0.00 0.00 51.96 52.97 1wxn s ALA 3 Cb 0.19 -3.10 -0.03 0.00 0.00 0.00 0.00 23.12 20.18 1wxn s ALA 3 CO -0.07 -0.17 -0.26 0.00 0.00 0.00 0.00 175.76 175.26 1wxn s SER 5 N -1.17 3.17 -0.78 0.00 0.01 -1.26 -1.16 113.70 112.52 1wxn s SER 5 Ca 0.11 -0.56 0.02 0.00 1.31 0.00 0.00 55.95 56.84 1wxn s SER 5 Cb -0.10 -1.44 0.19 0.00 0.21 0.00 0.00 66.02 64.88 1wxn s SER 5 CO 0.02 0.12 0.61 0.00 0.41 0.00 0.00 173.24 174.40 1wxn n GLY 7 N 2.09 1.04 0.09 0.00 0.00 -1.26 -1.37 105.19 105.78 1wxn n GLY 7 Ca 0.21 0.34 0.01 0.00 0.00 0.00 0.00 46.02 46.57 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 8.00 0.78 -4.73 1.61 5.15 -1.26 -4.91 115.26 119.90 1wxn n ASN 8 Ca 0.00 0.34 -0.41 0.00 -0.60 0.00 0.00 54.58 53.91 1wxn n ASN 8 Cb 0.00 0.31 -0.04 0.00 -0.53 0.00 0.00 39.78 39.52 1wxn n ASN 8 CO 0.00 0.00 0.00 -0.44 1.40 0.00 0.00 177.26 178.22 1wxn s SER 9 N -5.66 7.42 -0.07 1.20 0.01 -0.47 -4.89 113.70 111.24 1wxn s SER 9 Ca -0.03 1.86 0.00 0.00 1.31 0.00 0.00 55.95 59.09 1wxn s SER 9 Cb 0.09 -2.59 0.02 0.00 0.21 0.00 0.00 66.02 63.75 1wxn s SER 9 CO 0.81 -0.13 -0.05 -0.54 0.41 0.00 0.00 173.24 173.74 1wxn s LYS 10 N 0.02 1.06 0.00 12.44 1.02 -1.20 0.10 119.74 133.18 1wxn s LYS 10 Ca 0.48 -0.14 0.00 0.00 0.02 0.00 0.00 55.97 56.33 1wxn s LYS 10 Cb -0.25 -1.11 0.00 0.00 -0.52 0.00 0.00 37.83 35.95 1wxn s LYS 10 CO 0.31 -0.15 0.00 0.41 -0.92 0.00 0.00 175.35 175.00 1wxn n GLY 11 N 4.43 3.60 3.18 -3.33 0.00 -0.31 -0.04 105.19 112.72 1wxn n GLY 11 Ca -0.18 -0.49 -0.30 0.00 0.00 0.00 0.00 46.02 45.05 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 -0.72 1.82 -0.05 -0.61 -1.09 -0.39 -0.53 121.20 119.62 1wxn s ILE 12 Ca 0.00 -0.89 -0.12 0.00 -2.23 0.00 0.00 60.65 57.41 1wxn s ILE 12 Cb 0.00 -1.58 -0.05 0.00 -1.58 0.00 0.00 42.46 39.25 1wxn s ILE 12 CO 0.00 0.51 0.30 -0.72 -1.23 0.00 0.00 174.94 173.80 1wxn s TYR 13 N 0.36 3.67 0.07 3.97 1.13 -0.44 -0.95 117.35 125.15 1wxn s TYR 13 Ca -0.16 0.80 0.04 0.00 -1.41 0.00 0.00 57.07 56.34 1wxn s TYR 13 Cb -0.17 -2.16 -0.04 0.00 -1.10 0.00 0.00 41.96 38.49 1wxn s TYR 13 CO 0.07 0.66 0.02 -1.58 -2.51 0.00 0.00 175.55 172.22 1wxn s TRP 14 N -0.99 3.06 -0.93 -3.49 0.52 0.98 -4.90 118.94 113.18 1wxn s TRP 14 Ca 0.20 0.02 -0.24 0.00 0.02 0.00 0.00 56.10 56.10 1wxn s TRP 14 Cb -0.15 -1.58 0.03 0.00 -1.15 0.00 0.00 33.47 30.62 1wxn s TRP 14 CO 0.09 0.49 1.47 -0.06 0.02 0.00 0.00 176.95 178.97 1wxn s PHE 15 N -1.30 2.38 -0.63 -1.98 0.40 -1.26 0.07 117.98 115.66 1wxn s PHE 15 Ca 0.26 -0.48 -0.07 0.00 -0.60 0.00 0.00 56.93 56.05 1wxn s PHE 15 Cb -0.12 -4.60 0.01 0.00 0.51 0.00 0.00 43.02 38.82 1wxn s PHE 15 CO 0.18 -1.97 0.66 0.66 0.70 0.00 0.00 175.22 175.46 1wxn n TYR 16 N 9.59 -3.11 -3.87 0.36 4.01 -1.11 -4.90 117.16 118.13 1wxn n TYR 16 Ca 0.27 1.22 -0.35 0.00 -0.16 0.00 0.00 57.90 58.87 1wxn n TYR 16 Cb 0.50 -3.98 -0.13 0.00 -0.31 0.00 0.00 39.34 35.42 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 2.38 0.08 -0.72 1.81 -1.26 -4.94 118.95 113.36 1wxn s ARG 17 Ca 0.10 -1.34 0.11 0.00 -1.72 0.00 0.00 55.73 52.87 1wxn s ARG 17 Cb -0.03 -3.28 0.49 0.00 -0.45 0.00 0.00 34.95 31.69 1wxn s ARG 17 CO 0.77 -0.69 1.33 -2.30 -0.68 0.00 0.00 175.30 173.72 1wxn n PRO 18 N 4.64 0.05 -3.95 3.54 -0.02 -1.26 -4.46 135.00 133.54 1wxn n PRO 18 Ca -0.11 0.44 -0.25 0.00 -2.02 0.00 0.00 63.50 61.56 1wxn n PRO 18 Cb 0.43 -1.62 -0.17 0.00 -0.02 0.00 0.00 33.50 32.12 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 -3.31 1.86 -0.25 2.55 0.01 -1.26 -5.12 113.70 108.17 1wxn s SER 19 Ca 0.02 -0.22 -0.10 0.00 1.31 0.00 0.00 55.95 56.96 1wxn s SER 19 Cb 0.05 -0.68 -0.05 0.00 0.21 0.00 0.00 66.02 65.55 1wxn s SER 19 CO 0.16 -0.12 0.15 0.00 0.41 0.00 0.00 173.24 173.83 1wxn s PRO 21 N 1.32 2.51 0.20 0.00 0.02 -1.26 -4.73 135.00 133.06 1wxn s PRO 21 Ca 0.07 -0.76 0.25 0.00 0.02 0.00 0.00 61.00 60.58 1wxn s PRO 21 Cb -0.14 -5.16 0.89 0.00 0.02 0.00 0.00 34.50 30.11 1wxn s PRO 21 CO 0.06 -3.72 1.76 -2.37 -0.33 0.00 0.00 177.00 172.40 1wxn n THR 22 N 7.85 0.62 0.85 0.99 5.66 -1.26 -1.43 114.28 127.56 1wxn n THR 22 Ca 0.43 -0.09 0.12 0.00 -3.05 0.00 0.00 64.05 61.46 1wxn n THR 22 Cb 0.47 -0.76 0.54 0.00 -1.55 0.00 0.00 70.33 69.03 1wxn n THR 22 CO 0.00 0.00 0.00 -0.67 -3.05 0.00 0.00 175.07 171.35 1wxn n ASP 23 N -2.16 0.08 0.01 1.09 2.03 -1.26 -2.28 116.55 114.06 1wxn n ASP 23 Ca 0.05 0.51 0.13 0.00 0.52 0.00 0.00 54.79 56.00 1wxn n ASP 23 Cb 0.36 -0.53 0.55 0.00 -0.72 0.00 0.00 41.12 40.78 1wxn n ASP 23 CO 0.00 0.00 0.00 -1.14 -1.92 0.00 0.00 177.20 174.14 1wxn n ARG 24 N -1.58 0.03 0.00 -0.67 3.00 -0.51 -4.88 116.66 112.05 1wxn n ARG 24 Ca 0.06 0.06 0.00 0.00 -0.00 0.00 0.00 57.85 57.97 1wxn n ARG 24 Cb 0.31 -1.54 0.00 0.00 0.00 0.00 0.00 32.46 31.23 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 1.26 1.91 3.80 5.14 0.00 -0.97 -5.10 105.19 111.23 1wxn n GLY 25 Ca 0.06 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.70 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 3.72 -0.09 1.61 2.02 -1.20 -4.52 117.35 116.90 1wxn s TYR 26 Ca 0.00 1.14 0.15 0.00 -0.37 0.00 0.00 57.07 57.98 1wxn s TYR 26 Cb 0.00 -2.47 -0.20 0.00 -0.40 0.00 0.00 41.96 38.89 1wxn s TYR 26 CO 0.00 0.50 0.68 2.41 -1.57 0.00 0.00 175.55 177.57 1wxn n THR 27 N 2.21 1.39 -3.72 -0.71 -1.04 0.14 -4.84 114.28 107.72 1wxn n THR 27 Ca -0.10 -0.75 -0.10 0.00 -2.04 0.00 0.00 64.05 61.06 1wxn n THR 27 Cb 0.51 -0.86 -0.04 0.00 -1.82 0.00 0.00 70.33 68.13 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 -5.00 -0.12 -0.09 3.41 0.00 0.13 -4.98 107.32 100.67 1wxn s GLY 28 Ca -0.04 -0.19 0.01 0.00 0.00 0.00 0.00 44.72 44.50 1wxn s GLY 28 CO 0.82 -0.26 -0.10 -0.45 0.00 0.00 0.00 173.10 173.11 1wxn s SER 29 N -2.86 1.95 0.22 1.64 0.15 -1.26 -0.74 113.70 112.80 1wxn s SER 29 Ca 0.08 -0.30 0.10 0.00 0.70 0.00 0.00 55.95 56.53 1wxn s SER 29 Cb -0.01 -0.83 -0.04 0.00 -1.71 0.00 0.00 66.02 63.43 1wxn s SER 29 CO -0.04 -0.03 -0.14 0.00 1.20 0.00 0.00 173.24 174.22 1wxn s ARG 31 N -3.09 4.39 0.12 0.00 3.00 -1.26 0.09 118.95 122.20 1wxn s ARG 31 Ca 0.26 0.84 0.09 0.00 -1.00 0.00 0.00 55.73 55.92 1wxn s ARG 31 Cb -0.07 -3.47 -0.04 0.00 0.00 0.00 0.00 34.95 31.36 1wxn s ARG 31 CO 0.15 -0.00 -0.17 -0.47 0.00 0.00 0.00 175.30 174.80 1wxn s TYR 32 N 1.05 2.56 0.32 5.12 5.04 0.96 -4.84 117.35 127.56 1wxn s TYR 32 Ca 0.36 -0.25 0.06 0.00 -2.44 0.00 0.00 57.07 54.80 1wxn s TYR 32 Cb -0.17 -1.35 0.74 0.00 0.35 0.00 0.00 41.96 41.52 1wxn s TYR 32 CO 0.16 0.39 1.81 0.35 -1.34 0.00 0.00 175.55 176.93 1wxn h PHE 33 N 3.71 1.01 -0.02 4.97 3.57 -1.99 -0.32 116.94 127.87 1wxn h PHE 33 Ca -0.50 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.03 1wxn h PHE 33 Cb 1.17 -0.31 0.00 0.00 2.79 0.00 0.00 35.95 39.60 1wxn h PHE 33 CO 0.60 0.29 -0.04 1.28 -2.23 0.00 0.00 178.31 178.21 1wxn n LEU 34 N -4.67 2.14 0.00 0.59 7.99 -1.26 -5.02 117.00 116.76 1wxn n LEU 34 Ca 0.21 -0.71 0.00 0.00 -0.01 0.00 0.00 56.01 55.50 1wxn n LEU 34 Cb 0.52 -0.01 0.00 0.00 -0.11 0.00 0.00 43.42 43.82 1wxn n LEU 34 CO 0.25 0.36 0.00 0.61 -1.51 0.00 0.00 177.39 177.10 1wxn n GLY 35 N 1.27 -0.52 3.28 -0.72 0.00 -0.13 -2.74 105.19 105.63 1wxn n GLY 35 Ca 0.16 -0.31 -0.35 0.00 0.00 0.00 0.00 46.02 45.52 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 -2.69 3.24 -0.58 2.61 2.01 0.11 -0.02 115.64 120.32 1wxn s THR 36 Ca 0.00 -0.64 -0.24 0.00 0.31 0.00 0.00 61.69 61.12 1wxn s THR 36 Cb 0.00 -2.52 0.05 0.00 0.01 0.00 0.00 72.50 70.03 1wxn s THR 36 CO 0.00 0.35 0.96 0.00 -0.69 0.00 0.00 174.62 175.25 1wxn s THR 39 N 2.02 0.79 0.00 0.00 -1.32 0.09 -1.27 115.64 115.95 1wxn s THR 39 Ca 0.10 -0.25 0.00 0.00 -1.21 0.00 0.00 61.69 60.33 1wxn s THR 39 Cb -0.18 -0.78 0.00 0.00 -1.51 0.00 0.00 72.50 70.03 1wxn s THR 39 CO 0.12 0.29 0.00 -0.81 -2.21 0.00 0.00 174.62 172.01 1wxn n PRO 40 N 4.12 0.00 -2.68 7.08 -0.04 -1.23 0.18 135.00 142.43 1wxn n PRO 40 Ca -0.22 0.00 -0.04 0.00 -0.04 0.00 0.00 63.50 63.20 1wxn n PRO 40 Cb 0.51 -0.01 0.06 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 -2.36 -3.48 1.69 0.55 0.00 -0.78 -3.26 120.51 112.86 1wxn n ALA 41 Ca 0.00 -0.26 0.13 0.00 0.00 0.00 0.00 53.44 53.32 1wxn n ALA 41 Cb 0.00 -3.09 0.80 0.00 0.00 0.00 0.00 19.45 17.16 1wxn n ALA 41 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03