#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 3.89 -2.02 2.61 -2.24 -1.26 -4.97 114.28 110.29 1wxn n THR 2 Ca 0.00 -3.92 -0.40 0.00 -2.27 0.00 0.00 64.05 57.46 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 3.21 3.36 0.06 6.98 0.00 -1.26 -1.02 121.76 133.09 1wxn s ALA 3 Ca 0.49 1.30 -0.09 0.00 0.00 0.00 0.00 51.96 53.66 1wxn s ALA 3 Cb 0.06 -3.51 0.00 0.00 0.00 0.00 0.00 23.12 19.68 1wxn s ALA 3 CO 0.01 -0.84 0.20 0.00 0.00 0.00 0.00 175.76 175.13 1wxn s SER 5 N -2.46 -0.06 -0.32 0.00 1.04 -1.26 -0.89 113.70 109.75 1wxn s SER 5 Ca -0.00 0.17 -0.02 0.00 0.48 0.00 0.00 55.95 56.58 1wxn s SER 5 Cb 0.02 0.13 0.11 0.00 0.10 0.00 0.00 66.02 66.38 1wxn s SER 5 CO -0.07 -0.07 0.15 0.00 0.98 0.00 0.00 173.24 174.23 1wxn n GLY 7 N 4.71 1.84 0.02 0.00 0.00 -1.26 -1.33 105.19 109.17 1wxn n GLY 7 Ca 0.01 -0.09 0.11 0.00 0.00 0.00 0.00 46.02 46.05 1wxn n GLY 7 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1wxn n ASN 8 N 10.34 0.65 -4.74 1.61 6.94 -1.26 -4.93 115.26 123.86 1wxn n ASN 8 Ca 0.00 -0.36 -0.40 0.00 -0.02 0.00 0.00 54.58 53.80 1wxn n ASN 8 Cb 0.00 0.78 -0.05 0.00 -2.36 0.00 0.00 39.78 38.15 1wxn n ASN 8 CO 0.00 0.00 0.00 -0.44 -1.03 0.00 0.00 177.26 175.79 1wxn s SER 9 N -3.61 7.20 -0.07 0.53 0.01 -0.45 -4.88 113.70 112.44 1wxn s SER 9 Ca 0.05 1.43 0.03 0.00 1.31 0.00 0.00 55.95 58.77 1wxn s SER 9 Cb 0.15 -2.46 0.01 0.00 0.21 0.00 0.00 66.02 63.93 1wxn s SER 9 CO 0.80 0.01 -0.14 -1.59 0.41 0.00 0.00 173.24 172.73 1wxn s LYS 10 N -0.02 1.89 0.00 12.44 -2.85 -1.16 -0.76 119.74 129.28 1wxn s LYS 10 Ca 0.38 -0.50 0.00 0.00 -1.00 0.00 0.00 55.97 54.86 1wxn s LYS 10 Cb -0.20 -1.54 0.00 0.00 -2.06 0.00 0.00 37.83 34.03 1wxn s LYS 10 CO 0.23 0.07 0.00 0.41 0.10 0.00 0.00 175.35 176.16 1wxn n GLY 11 N 3.70 3.00 3.09 0.59 0.00 -0.06 -1.23 105.19 114.28 1wxn n GLY 11 Ca -0.22 -0.14 -0.22 0.00 0.00 0.00 0.00 46.02 45.44 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 0.05 1.05 -0.15 -0.61 -1.09 -0.20 -0.61 121.20 119.65 1wxn s ILE 12 Ca 0.00 -0.56 -0.10 0.00 -2.23 0.00 0.00 60.65 57.77 1wxn s ILE 12 Cb 0.00 -0.88 -0.05 0.00 -1.58 0.00 0.00 42.46 39.95 1wxn s ILE 12 CO 0.00 0.30 0.18 -0.72 -1.23 0.00 0.00 174.94 173.47 1wxn s TYR 13 N -0.23 3.52 0.04 3.97 -0.85 -0.19 -1.10 117.35 122.51 1wxn s TYR 13 Ca 0.04 0.50 -0.01 0.00 -0.52 0.00 0.00 57.07 57.08 1wxn s TYR 13 Cb -0.06 -2.10 -0.04 0.00 0.38 0.00 0.00 41.96 40.14 1wxn s TYR 13 CO -0.00 0.50 0.19 -1.58 -1.52 0.00 0.00 175.55 173.14 1wxn s TRP 14 N -0.33 3.51 -1.17 -3.49 0.52 0.14 -4.77 118.94 113.35 1wxn s TRP 14 Ca 0.13 0.27 -0.20 0.00 0.02 0.00 0.00 56.10 56.32 1wxn s TRP 14 Cb -0.12 -1.77 0.05 0.00 -1.15 0.00 0.00 33.47 30.48 1wxn s TRP 14 CO 0.02 0.60 1.64 -0.06 0.02 0.00 0.00 176.95 179.17 1wxn s PHE 15 N -1.45 2.62 -0.41 -1.98 0.08 -1.26 0.46 117.98 116.04 1wxn s PHE 15 Ca 0.32 -1.16 -0.17 0.00 0.12 0.00 0.00 56.93 56.04 1wxn s PHE 15 Cb -0.13 -4.69 0.02 0.00 -0.57 0.00 0.00 43.02 37.66 1wxn s PHE 15 CO 0.25 -1.84 0.53 0.66 -0.10 0.00 0.00 175.22 174.72 1wxn n TYR 16 N 8.99 -3.38 -3.42 0.36 4.01 -1.18 -4.89 117.16 117.66 1wxn n TYR 16 Ca 0.42 1.38 -0.21 0.00 -0.16 0.00 0.00 57.90 59.33 1wxn n TYR 16 Cb 0.48 -3.70 -0.10 0.00 -0.31 0.00 0.00 39.34 35.71 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 -2.45 0.48 0.18 -0.72 0.52 -1.26 -4.94 118.95 110.77 1wxn s ARG 17 Ca 0.24 -0.76 0.14 0.00 -0.52 0.00 0.00 55.73 54.82 1wxn s ARG 17 Cb -0.06 -0.90 0.72 0.00 0.52 0.00 0.00 34.95 35.23 1wxn s ARG 17 CO 0.77 -1.14 1.43 -0.35 0.02 0.00 0.00 175.30 176.03 1wxn n PRO 18 N 4.57 0.09 -2.85 3.54 -0.04 -1.26 -3.18 135.00 135.87 1wxn n PRO 18 Ca 0.06 0.54 -0.42 0.00 -0.04 0.00 0.00 63.50 63.64 1wxn n PRO 18 Cb 0.43 -1.76 0.01 0.00 -0.04 0.00 0.00 33.50 32.14 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 -1.95 6.82 -4.59 3.54 7.64 -1.26 -4.99 113.62 118.83 1wxn n SER 19 Ca -0.00 -3.53 -0.41 0.00 1.01 0.00 0.00 58.87 55.94 1wxn n SER 19 Cb 0.05 -1.23 -0.07 0.00 -1.01 0.00 0.00 64.21 61.95 1wxn n SER 19 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1wxn s PRO 21 N 2.42 2.81 0.00 0.00 0.02 -1.26 -4.82 135.00 134.17 1wxn s PRO 21 Ca 0.21 1.36 0.03 0.00 0.02 0.00 0.00 61.00 62.62 1wxn s PRO 21 Cb -0.15 -4.38 0.17 0.00 0.02 0.00 0.00 34.50 30.16 1wxn s PRO 21 CO 0.12 -2.48 1.02 0.25 -0.33 0.00 0.00 177.00 175.58 1wxn n THR 22 N 7.59 0.00 1.27 0.99 -2.24 -1.26 -3.39 114.28 117.24 1wxn n THR 22 Ca 0.27 0.00 0.13 0.00 -2.27 0.00 0.00 64.05 62.18 1wxn n THR 22 Cb 0.50 -0.10 0.66 0.00 -2.10 0.00 0.00 70.33 69.29 1wxn n THR 22 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 1wxn n ASP 23 N -0.55 0.00 -0.55 3.42 9.92 -1.26 -0.90 116.55 126.62 1wxn n ASP 23 Ca 0.02 -0.20 0.12 0.00 -0.53 0.00 0.00 54.79 54.21 1wxn n ASP 23 Cb 0.01 -0.24 0.42 0.00 -0.64 0.00 0.00 41.12 40.67 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 -1.24 1.74 -2.61 -1.24 5.12 -1.22 -4.93 116.66 112.28 1wxn n ARG 24 Ca 0.13 -1.10 -0.04 0.00 -1.93 0.00 0.00 57.85 54.91 1wxn n ARG 24 Cb 0.18 -1.43 0.01 0.00 -1.16 0.00 0.00 32.46 30.06 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 1.16 0.64 3.67 -0.13 0.00 -0.08 -4.87 105.19 105.59 1wxn n GLY 25 Ca 0.17 -0.50 -0.42 0.00 0.00 0.00 0.00 46.02 45.27 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 -3.05 2.30 -0.20 1.61 2.02 -1.22 -4.41 117.35 114.40 1wxn s TYR 26 Ca 0.08 0.43 -0.12 0.00 -0.37 0.00 0.00 57.07 57.10 1wxn s TYR 26 Cb -0.04 -3.82 -0.20 0.00 -0.40 0.00 0.00 41.96 37.51 1wxn s TYR 26 CO 0.12 -3.30 0.11 2.41 -1.57 0.00 0.00 175.55 173.32 1wxn n THR 27 N 5.24 1.61 -4.73 -0.71 -1.04 0.14 -4.87 114.28 109.92 1wxn n THR 27 Ca 0.16 -0.38 -0.33 0.00 -2.04 0.00 0.00 64.05 61.46 1wxn n THR 27 Cb 0.43 -1.82 -0.12 0.00 -1.82 0.00 0.00 70.33 66.99 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 -5.45 1.61 -0.27 3.41 0.00 0.89 -4.98 107.32 102.54 1wxn s GLY 28 Ca -0.29 -0.92 0.01 0.00 0.00 0.00 0.00 44.72 43.52 1wxn s GLY 28 CO 0.64 -0.58 -0.02 -0.45 0.00 0.00 0.00 173.10 172.69 1wxn s SER 29 N -0.50 4.12 0.39 1.64 0.15 -1.26 -0.67 113.70 117.57 1wxn s SER 29 Ca 0.07 -1.46 0.08 0.00 0.70 0.00 0.00 55.95 55.34 1wxn s SER 29 Cb -0.12 -1.27 -0.08 0.00 -1.71 0.00 0.00 66.02 62.85 1wxn s SER 29 CO 0.02 -0.28 -0.02 0.00 1.20 0.00 0.00 173.24 174.16 1wxn s ARG 31 N -3.69 4.09 0.26 0.00 3.52 -1.26 0.50 118.95 122.37 1wxn s ARG 31 Ca 0.34 0.07 0.07 0.00 -0.13 0.00 0.00 55.73 56.09 1wxn s ARG 31 Cb 0.08 -3.36 -0.04 0.00 -1.56 0.00 0.00 34.95 30.07 1wxn s ARG 31 CO 0.17 0.38 0.19 -0.47 -0.81 0.00 0.00 175.30 174.77 1wxn s TYR 32 N 0.04 3.07 0.48 5.12 5.04 0.15 -4.78 117.35 126.46 1wxn s TYR 32 Ca 0.16 -0.14 0.25 0.00 -2.44 0.00 0.00 57.07 54.91 1wxn s TYR 32 Cb -0.13 -1.43 1.31 0.00 0.35 0.00 0.00 41.96 42.06 1wxn s TYR 32 CO 0.04 0.49 1.86 0.35 -1.34 0.00 0.00 175.55 176.96 1wxn h PHE 33 N 1.49 0.26 -0.12 4.97 3.57 -1.99 -0.77 116.94 124.34 1wxn h PHE 33 Ca -0.48 0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.03 1wxn h PHE 33 Cb 1.24 -0.08 0.00 0.00 2.79 0.00 0.00 35.95 39.90 1wxn h PHE 33 CO 0.56 0.06 0.00 1.28 -2.23 0.00 0.00 178.31 177.98 1wxn n LEU 34 N -4.39 2.57 0.00 0.59 7.99 -1.26 -5.07 117.00 117.43 1wxn n LEU 34 Ca 0.20 -1.20 0.00 0.00 -0.01 0.00 0.00 56.01 55.00 1wxn n LEU 34 Cb 0.87 -0.07 0.00 0.00 -0.11 0.00 0.00 43.42 44.11 1wxn n LEU 34 CO 0.35 0.50 0.00 0.61 -1.51 0.00 0.00 177.39 177.34 1wxn n GLY 35 N 0.94 -0.55 3.43 -0.72 0.00 -0.30 -3.12 105.19 104.88 1wxn n GLY 35 Ca 0.11 -0.33 -0.39 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 -3.37 4.60 -0.54 2.61 2.01 0.17 0.29 115.64 121.42 1wxn s THR 36 Ca 0.00 -0.48 -0.26 0.00 0.31 0.00 0.00 61.69 61.26 1wxn s THR 36 Cb 0.00 -3.38 0.03 0.00 0.01 0.00 0.00 72.50 69.17 1wxn s THR 36 CO 0.00 0.02 1.03 0.00 -0.69 0.00 0.00 174.62 174.98 1wxn s THR 39 N 1.56 2.12 0.00 0.00 -4.23 0.15 -1.03 115.64 114.22 1wxn s THR 39 Ca 0.02 -1.46 0.00 0.00 -1.18 0.00 0.00 61.69 59.08 1wxn s THR 39 Cb -0.19 -2.16 0.00 0.00 1.34 0.00 0.00 72.50 71.48 1wxn s THR 39 CO 0.07 0.11 0.00 -0.81 -0.54 0.00 0.00 174.62 173.44 1wxn n PRO 40 N 4.48 0.00 -1.01 3.99 -0.04 -1.17 -0.07 135.00 141.18 1wxn n PRO 40 Ca -0.16 0.00 -0.00 0.00 -0.04 0.00 0.00 63.50 63.30 1wxn n PRO 40 Cb 0.44 -0.05 0.00 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 -2.50 -1.59 0.02 0.55 0.00 -0.36 -3.00 120.51 113.63 1wxn n ALA 41 Ca 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 53.44 53.42 1wxn n ALA 41 Cb 0.00 -0.38 0.00 0.00 0.00 0.00 0.00 19.45 19.08 1wxn n ALA 41 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03