#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wqk n THR 2 N 0.00 4.41 -4.36 2.61 -2.24 -1.26 -4.91 114.28 108.53 1wqk n THR 2 Ca 0.00 -4.40 -0.34 0.00 -2.27 0.00 0.00 64.05 57.04 1wqk n THR 2 Cb 0.00 -1.53 -0.13 0.00 -2.10 0.00 0.00 70.33 66.57 1wqk n THR 2 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 1wqk s THR 3 N -3.62 3.68 -0.03 4.28 2.01 -1.26 -0.12 115.64 120.59 1wqk s THR 3 Ca 0.51 -0.42 0.07 0.00 0.31 0.00 0.00 61.69 62.16 1wqk s THR 3 Cb 0.33 -2.62 -0.02 0.00 0.01 0.00 0.00 72.50 70.20 1wqk s THR 3 CO -0.25 0.48 -0.24 0.00 -0.69 0.00 0.00 174.62 173.92 1wqk s TYR 5 N -0.49 3.23 -0.59 0.00 1.51 -1.26 0.05 117.35 119.80 1wqk s TYR 5 Ca 0.07 -0.75 -0.19 0.00 -1.01 0.00 0.00 57.07 55.19 1wqk s TYR 5 Cb -0.10 -2.45 0.10 0.00 -0.11 0.00 0.00 41.96 39.39 1wqk s TYR 5 CO -0.00 -0.57 0.72 0.00 -1.11 0.00 0.00 175.55 174.59 1wqk n GLY 7 N 5.28 1.40 0.00 0.00 0.00 -1.26 -1.49 105.19 109.12 1wqk n GLY 7 Ca -0.09 0.33 0.00 0.00 0.00 0.00 0.00 46.02 46.27 1wqk n GLY 7 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1wqk n LYS 8 N 0.00 -0.13 -4.42 1.61 2.85 -1.26 -5.07 118.16 111.75 1wqk n LYS 8 Ca 0.00 -0.13 -0.34 0.00 -1.05 0.00 0.00 58.31 56.78 1wqk n LYS 8 Cb 0.00 -0.61 -0.11 0.00 -0.65 0.00 0.00 35.03 33.66 1wqk n LYS 8 CO 0.00 0.00 0.00 0.99 -0.05 0.00 0.00 177.40 178.34 1wqk s THR 9 N -0.02 4.03 -0.16 0.58 2.01 -0.55 -5.09 115.64 116.43 1wqk s THR 9 Ca 0.00 -0.33 -0.16 0.00 0.31 0.00 0.00 61.69 61.51 1wqk s THR 9 Cb 0.00 -2.72 -0.04 0.00 0.01 0.00 0.00 72.50 69.75 1wqk s THR 9 CO 0.00 0.55 0.40 -0.51 -0.69 0.00 0.00 174.62 174.37 1wqk s ILE 10 N -0.26 5.22 0.31 1.82 2.07 -1.26 -0.28 121.20 128.81 1wqk s ILE 10 Ca 0.05 0.76 0.06 0.00 -1.41 0.00 0.00 60.65 60.11 1wqk s ILE 10 Cb -0.13 -3.74 -0.02 0.00 0.13 0.00 0.00 42.46 38.70 1wqk s ILE 10 CO 0.02 0.31 0.21 0.61 -1.91 0.00 0.00 174.94 174.19 1wqk n GLY 11 N 3.56 3.13 3.54 1.50 0.00 0.11 -1.27 105.19 115.76 1wqk n GLY 11 Ca -0.09 -1.92 -0.34 0.00 0.00 0.00 0.00 46.02 43.68 1wqk n GLY 11 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 1wqk s ILE 12 N -3.10 3.68 -0.33 -0.61 -1.16 0.81 -0.57 121.20 119.92 1wqk s ILE 12 Ca 0.30 -0.47 -0.21 0.00 -0.51 0.00 0.00 60.65 59.76 1wqk s ILE 12 Cb 0.01 -2.53 -0.00 0.00 0.61 0.00 0.00 42.46 40.55 1wqk s ILE 12 CO 0.21 0.57 0.66 -0.47 -2.81 0.00 0.00 174.94 173.11 1wqk s TYR 13 N -0.44 3.18 -0.40 3.50 5.04 0.83 -1.01 117.35 128.04 1wqk s TYR 13 Ca 0.06 0.51 -0.15 0.00 -2.44 0.00 0.00 57.07 55.05 1wqk s TYR 13 Cb -0.12 -3.12 0.02 0.00 0.35 0.00 0.00 41.96 39.09 1wqk s TYR 13 CO 0.02 -0.57 0.33 -1.58 -1.34 0.00 0.00 175.55 172.41 1wqk s TRP 14 N 2.74 3.22 -0.25 4.97 0.52 0.47 -4.87 118.94 125.74 1wqk s TRP 14 Ca 0.26 -0.48 -0.09 0.00 0.02 0.00 0.00 56.10 55.81 1wqk s TRP 14 Cb -0.14 -2.65 -0.04 0.00 -1.15 0.00 0.00 33.47 29.48 1wqk s TRP 14 CO 0.14 -0.59 0.12 0.12 0.02 0.00 0.00 176.95 176.75 1wqk s PHE 15 N 1.80 3.18 0.00 -1.98 5.36 -1.26 -1.42 117.98 123.66 1wqk s PHE 15 Ca 0.07 -0.11 0.00 0.00 -0.96 0.00 0.00 56.93 55.93 1wqk s PHE 15 Cb -0.18 -2.26 0.00 0.00 -0.34 0.00 0.00 43.02 40.24 1wqk s PHE 15 CO 0.11 -0.17 0.00 0.41 -1.46 0.00 0.00 175.22 174.11 1wqk n GLY 16 N 4.68 1.30 3.33 13.12 0.00 -1.26 -5.07 105.19 121.28 1wqk n GLY 16 Ca -0.15 -0.22 -0.28 0.00 0.00 0.00 0.00 46.02 45.36 1wqk n GLY 16 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1wqk s THR 17 N -0.58 2.04 -0.68 2.61 -1.32 -1.26 -5.01 115.64 111.44 1wqk s THR 17 Ca 0.00 -1.46 0.15 0.00 -1.21 0.00 0.00 61.69 59.17 1wqk s THR 17 Cb 0.00 -1.77 0.48 0.00 -1.51 0.00 0.00 72.50 69.70 1wqk s THR 17 CO 0.00 0.23 1.40 2.29 -2.21 0.00 0.00 174.62 176.32 1wqk n LYS 18 N 1.51 3.09 -4.64 7.08 2.85 -1.26 -4.01 118.16 122.78 1wqk n LYS 18 Ca -0.17 -2.53 -0.23 0.00 -1.05 0.00 0.00 58.31 54.33 1wqk n LYS 18 Cb 0.53 -1.62 -0.16 0.00 -0.65 0.00 0.00 35.03 33.13 1wqk n LYS 18 CO 0.00 0.00 0.00 -0.08 -0.05 0.00 0.00 177.40 177.27 1wqk s THR 19 N -1.87 1.13 -0.10 0.58 -1.32 -1.26 -4.95 115.64 107.85 1wqk s THR 19 Ca 0.36 -0.57 -0.29 0.00 -1.21 0.00 0.00 61.69 59.98 1wqk s THR 19 Cb 0.25 -0.97 -0.01 0.00 -1.51 0.00 0.00 72.50 70.26 1wqk s THR 19 CO 0.15 0.33 0.99 0.00 -2.21 0.00 0.00 174.62 173.88 1wqk s PRO 21 N 1.92 2.09 0.00 0.00 0.02 -1.26 -4.79 135.00 132.99 1wqk s PRO 21 Ca 0.48 1.02 0.11 0.00 0.02 0.00 0.00 61.00 62.63 1wqk s PRO 21 Cb -0.18 -4.62 0.65 0.00 0.02 0.00 0.00 34.50 30.37 1wqk s PRO 21 CO 0.18 -3.44 1.13 -1.13 -0.33 0.00 0.00 177.00 173.41 1wqk n SER 22 N 15.92 0.00 0.15 2.53 3.41 -1.26 -1.19 113.62 133.17 1wqk n SER 22 Ca 0.36 -0.83 0.13 0.00 -0.26 0.00 0.00 58.87 58.27 1wqk n SER 22 Cb 0.52 0.00 0.33 0.00 -0.26 0.00 0.00 64.21 64.80 1wqk n SER 22 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 1wqk h ASN 23 N 0.00 0.00 0.77 4.04 -1.07 -1.97 -3.01 115.58 114.34 1wqk h ASN 23 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 56.30 56.37 1wqk h ASN 23 Cb 0.00 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 36.25 1wqk h ASN 23 CO 0.00 0.00 -0.43 0.54 0.07 0.00 0.00 177.43 177.61 1wqk n ARG 24 N -2.55 0.12 -1.80 4.14 5.12 -0.34 -4.95 116.66 116.39 1wqk n ARG 24 Ca 0.05 0.04 0.00 0.00 -1.93 0.00 0.00 57.85 56.01 1wqk n ARG 24 Cb 0.46 -1.58 0.00 0.00 -1.16 0.00 0.00 32.46 30.18 1wqk n ARG 24 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1wqk n GLY 25 N 1.43 0.75 3.75 -0.13 0.00 -1.14 -4.76 105.19 105.09 1wqk n GLY 25 Ca 0.05 -0.69 -0.41 0.00 0.00 0.00 0.00 46.02 44.98 1wqk n GLY 25 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1wqk s TYR 26 N -2.27 3.32 -0.26 1.61 2.02 -1.26 -4.64 117.35 115.87 1wqk s TYR 26 Ca 0.00 1.43 -0.03 0.00 -0.37 0.00 0.00 57.07 58.10 1wqk s TYR 26 Cb 0.00 -3.50 -0.15 0.00 -0.40 0.00 0.00 41.96 37.90 1wqk s TYR 26 CO 0.00 -1.39 -0.27 2.41 -1.57 0.00 0.00 175.55 174.73 1wqk n THR 27 N 1.80 1.48 -4.22 -0.71 -1.04 0.20 -4.91 114.28 106.88 1wqk n THR 27 Ca 0.02 -0.51 -0.13 0.00 -2.04 0.00 0.00 64.05 61.40 1wqk n THR 27 Cb 0.43 -1.55 -0.10 0.00 -1.82 0.00 0.00 70.33 67.29 1wqk n THR 27 CO 0.00 0.00 0.00 -0.83 -0.64 0.00 0.00 175.07 173.60 1wqk s GLY 28 N -6.18 1.24 0.09 3.41 0.00 -0.01 -5.01 107.32 100.87 1wqk s GLY 28 Ca -0.36 -1.60 0.01 0.00 0.00 0.00 0.00 44.72 42.77 1wqk s GLY 28 CO 0.56 -1.47 -0.04 -0.56 0.00 0.00 0.00 173.10 171.58 1wqk s SER 29 N -3.15 0.93 -0.00 1.64 0.01 -1.26 -1.10 113.70 110.76 1wqk s SER 29 Ca 0.27 -1.03 -0.02 0.00 1.31 0.00 0.00 55.95 56.47 1wqk s SER 29 Cb 0.07 0.14 -0.00 0.00 0.21 0.00 0.00 66.02 66.43 1wqk s SER 29 CO 0.05 -0.53 0.05 0.00 0.41 0.00 0.00 173.24 173.22 1wqk s GLY 31 N -0.77 2.76 0.38 0.00 0.00 -1.26 -0.19 107.32 108.23 1wqk s GLY 31 Ca -0.09 0.68 0.04 0.00 0.00 0.00 0.00 44.72 45.35 1wqk s GLY 31 CO 0.00 1.77 0.08 -0.47 0.00 0.00 0.00 173.10 174.48 1wqk s TYR 32 N 0.74 1.90 -0.71 1.90 5.04 0.10 -4.86 117.35 121.45 1wqk s TYR 32 Ca 0.53 -1.08 -0.26 0.00 -2.44 0.00 0.00 57.07 53.83 1wqk s TYR 32 Cb -0.25 -1.28 -0.12 0.00 0.35 0.00 0.00 41.96 40.65 1wqk s TYR 32 CO 0.29 -0.08 2.42 1.19 -1.34 0.00 0.00 175.55 178.04 1wqk n PHE 33 N -0.85 1.22 -2.78 4.97 3.72 -1.26 -1.55 117.46 120.94 1wqk n PHE 33 Ca -0.06 0.02 -0.22 0.00 -0.05 0.00 0.00 57.45 57.15 1wqk n PHE 33 Cb 0.66 -2.60 0.02 0.00 -0.94 0.00 0.00 39.48 36.62 1wqk n PHE 33 CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 176.76 177.99 1wqk n LEU 34 N 17.83 -2.37 -3.81 4.37 4.77 -1.26 -4.95 117.00 131.58 1wqk n LEU 34 Ca 0.45 -0.18 -0.09 0.00 -0.03 0.00 0.00 56.01 56.16 1wqk n LEU 34 Cb 0.46 -2.95 0.02 0.00 -2.33 0.00 0.00 43.42 38.61 1wqk n LEU 34 CO 0.60 0.05 0.53 -0.83 -1.33 0.00 0.00 177.39 176.40 1wqk s GLY 35 N -2.44 0.34 -0.04 -0.72 0.00 -0.59 -4.43 107.32 99.43 1wqk s GLY 35 Ca 0.18 -0.72 0.04 0.00 0.00 0.00 0.00 44.72 44.22 1wqk s GLY 35 CO 0.23 -0.30 -0.18 -1.50 0.00 0.00 0.00 173.10 171.35 1wqk s ILE 36 N -2.41 1.49 -0.41 0.90 2.07 -0.50 -0.72 121.20 121.61 1wqk s ILE 36 Ca 0.15 -0.75 -0.16 0.00 -1.41 0.00 0.00 60.65 58.48 1wqk s ILE 36 Cb -0.05 -1.27 0.02 0.00 0.13 0.00 0.00 42.46 41.28 1wqk s ILE 36 CO 0.11 0.43 0.39 0.00 -1.91 0.00 0.00 174.94 173.96 1wqk s TYR 39 N 1.37 1.44 0.63 0.00 -0.85 -0.26 -0.13 117.35 119.55 1wqk s TYR 39 Ca 0.05 -0.61 -0.18 0.00 -0.52 0.00 0.00 57.07 55.82 1wqk s TYR 39 Cb -0.15 -0.73 -0.02 0.00 0.38 0.00 0.00 41.96 41.45 1wqk s TYR 39 CO 0.03 0.18 1.19 -2.14 -1.52 0.00 0.00 175.55 173.30 1wqk s PRO 40 N -3.15 2.78 -0.60 -3.49 0.02 -1.26 -0.63 135.00 128.67 1wqk s PRO 40 Ca 0.14 1.76 -0.26 0.00 0.02 0.00 0.00 61.00 62.65 1wqk s PRO 40 Cb -0.02 -1.91 -0.08 0.00 0.02 0.00 0.00 34.50 32.50 1wqk s PRO 40 CO 0.03 -1.34 2.33 0.54 -0.33 0.00 0.00 177.00 178.24 1wqk s VAL 41 N -1.77 3.06 0.00 3.83 0.11 -0.39 -4.72 120.40 120.52 1wqk s VAL 41 Ca 0.75 0.00 0.00 0.00 -2.93 0.00 0.00 61.98 59.81 1wqk s VAL 41 Cb -0.29 -3.16 0.00 0.00 -1.53 0.00 0.00 36.38 31.41 1wqk s VAL 41 CO 0.37 -0.15 0.00 -0.67 -3.33 0.00 0.00 175.10 171.31