#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 2.55 -3.88 2.61 -2.24 -1.26 -4.86 114.28 107.20 1wqk n THR 2 Ca 0.00 -1.33 -0.35 0.00 -2.27 0.00 0.00 64.05 60.10 1wqk n THR 2 Cb 0.00 -1.47 -0.10 0.00 -2.10 0.00 0.00 70.33 66.66 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 -1.20 4.84 -0.04 4.28 2.01 -1.26 -0.24 115.64 124.01 1wqk s THR 3 Ca 0.25 -0.01 0.00 0.00 0.31 0.00 0.00 61.69 62.24 1wqk s THR 3 Cb 0.17 -3.21 0.03 0.00 0.01 0.00 0.00 72.50 69.49 1wqk s THR 3 CO -0.02 0.41 -0.01 0.00 -0.69 0.00 0.00 174.62 174.31 1wqk s TYR 5 N 1.22 3.26 -0.52 0.00 2.02 -1.26 -0.69 117.35 121.38 1wqk s TYR 5 Ca -0.07 0.66 -0.19 0.00 -0.37 0.00 0.00 57.07 57.11 1wqk s TYR 5 Cb -0.13 -2.80 0.07 0.00 -0.40 0.00 0.00 41.96 38.70 1wqk s TYR 5 CO -0.02 -0.33 0.62 0.00 -1.57 0.00 0.00 175.55 174.26 1wqk n GLY 7 N 5.20 1.31 0.00 0.00 0.00 -1.26 -1.45 105.19 109.00 1wqk n GLY 7 Ca -0.08 0.25 0.00 0.00 0.00 0.00 0.00 46.02 46.20 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 -0.49 -3.35 1.61 2.85 -1.26 -5.05 118.16 112.48 1wqk n LYS 8 Ca 0.00 -0.30 -0.38 0.00 -1.05 0.00 0.00 58.31 56.58 1wqk n LYS 8 Cb 0.00 -0.78 -0.06 0.00 -0.65 0.00 0.00 35.03 33.54 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 5.19 -0.37 0.58 2.01 -0.53 -5.03 115.64 117.48 1wqk s THR 9 Ca 0.00 0.91 -0.29 0.00 0.31 0.00 0.00 61.69 62.62 1wqk s THR 9 Cb 0.00 -3.79 0.02 0.00 0.01 0.00 0.00 72.50 68.74 1wqk s THR 9 CO 0.00 0.35 1.12 -0.51 -0.69 0.00 0.00 174.62 174.89 1wqk s ILE 10 N 0.49 4.37 0.36 1.82 2.07 -1.26 -0.77 121.20 128.28 1wqk s ILE 10 Ca 0.25 1.53 0.09 0.00 -1.41 0.00 0.00 60.65 61.11 1wqk s ILE 10 Cb -0.15 -4.45 -0.06 0.00 0.13 0.00 0.00 42.46 37.93 1wqk s ILE 10 CO 0.10 -0.64 -0.03 -0.83 -1.91 0.00 0.00 174.94 171.62 1wqk s GLY 11 N 2.04 2.21 -0.11 1.50 0.00 0.13 -1.15 107.32 111.94 1wqk s GLY 11 Ca 0.47 -2.08 -0.00 0.00 0.00 0.00 0.00 44.72 43.11 1wqk s GLY 11 CO 0.21 -1.99 -0.09 -1.50 0.00 0.00 0.00 173.10 169.73 1wqk s ILE 12 N -2.59 3.49 -0.54 0.90 -1.16 0.03 -0.90 121.20 120.43 1wqk s ILE 12 Ca 0.34 -0.53 -0.24 0.00 -0.51 0.00 0.00 60.65 59.72 1wqk s ILE 12 Cb 0.03 -2.46 0.04 0.00 0.61 0.00 0.00 42.46 40.68 1wqk s ILE 12 CO 0.18 0.55 0.90 -0.47 -2.81 0.00 0.00 174.94 173.28 1wqk s TYR 13 N -0.13 2.84 -0.48 3.50 5.04 0.66 -0.85 117.35 127.93 1wqk s TYR 13 Ca 0.01 -0.05 -0.23 0.00 -2.44 0.00 0.00 57.07 54.36 1wqk s TYR 13 Cb -0.13 -3.99 0.03 0.00 0.35 0.00 0.00 41.96 38.22 1wqk s TYR 13 CO 0.03 -1.29 0.81 -1.58 -1.34 0.00 0.00 175.55 172.19 1wqk s TRP 14 N 3.75 2.94 -0.36 4.97 0.52 0.11 -4.89 118.94 125.99 1wqk s TRP 14 Ca 0.29 0.04 -0.16 0.00 0.02 0.00 0.00 56.10 56.29 1wqk s TRP 14 Cb -0.13 -3.76 -0.01 0.00 -1.15 0.00 0.00 33.47 28.42 1wqk s TRP 14 CO 0.19 -1.09 0.38 0.12 0.02 0.00 0.00 176.95 176.57 1wqk s PHE 15 N 3.40 3.20 0.00 -1.98 5.36 -1.26 -0.89 117.98 125.81 1wqk s PHE 15 Ca 0.28 -0.08 0.00 0.00 -0.96 0.00 0.00 56.93 56.18 1wqk s PHE 15 Cb -0.13 -2.73 0.00 0.00 -0.34 0.00 0.00 43.02 39.83 1wqk s PHE 15 CO 0.21 -0.49 0.00 0.41 -1.46 0.00 0.00 175.22 173.89 1wqk n GLY 16 N 4.97 1.52 3.14 13.12 0.00 -1.26 -5.06 105.19 121.63 1wqk n GLY 16 Ca -0.08 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.82 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 -1.21 0.68 -1.85 2.61 -1.32 -1.26 -5.02 115.64 108.26 1wqk s THR 17 Ca 0.00 -1.66 0.15 0.00 -1.21 0.00 0.00 61.69 58.97 1wqk s THR 17 Cb 0.00 -1.34 0.14 0.00 -1.51 0.00 0.00 72.50 69.78 1wqk s THR 17 CO 0.00 -0.70 1.00 0.29 -2.21 0.00 0.00 174.62 173.00 1wqk n LYS 18 N 0.45 1.20 -4.03 7.08 5.02 -1.26 -3.98 118.16 122.64 1wqk n LYS 18 Ca -0.16 -1.45 -0.34 0.00 -2.02 0.00 0.00 58.31 54.34 1wqk n LYS 18 Cb 0.59 -1.29 -0.15 0.00 -0.02 0.00 0.00 35.03 34.15 1wqk n LYS 18 CO 0.00 0.00 0.00 0.99 -0.52 0.00 0.00 177.40 177.87 1wqk s THR 19 N -1.24 2.60 0.03 -0.18 2.01 -1.26 -4.99 115.64 112.61 1wqk s THR 19 Ca 0.18 -0.83 -0.30 0.00 0.31 0.00 0.00 61.69 61.05 1wqk s THR 19 Cb 0.13 -2.17 -0.09 0.00 0.01 0.00 0.00 72.50 70.38 1wqk s THR 19 CO 0.19 0.44 1.91 0.00 -0.69 0.00 0.00 174.62 176.46 1wqk n PRO 21 N 7.30 1.21 -0.33 0.00 -0.02 -1.26 -4.79 135.00 137.11 1wqk n PRO 21 Ca 0.19 0.29 0.00 0.00 -2.02 0.00 0.00 63.50 61.96 1wqk n PRO 21 Cb 0.41 -2.70 0.00 0.00 -0.02 0.00 0.00 33.50 31.19 1wqk n PRO 21 CO 0.00 0.00 0.00 0.43 1.98 0.00 0.00 175.50 177.91 1wqk n SER 22 N 11.05 4.42 -0.06 2.55 7.64 -1.26 -2.91 113.62 135.05 1wqk n SER 22 Ca 0.40 -2.21 0.03 0.00 1.01 0.00 0.00 58.87 58.09 1wqk n SER 22 Cb 0.30 -0.89 0.04 0.00 -1.01 0.00 0.00 64.21 62.65 1wqk n SER 22 CO 0.00 0.00 0.00 -0.46 -3.01 0.00 0.00 175.04 171.57 1wqk n ASN 23 N 1.20 1.71 0.00 6.43 6.94 -1.26 -4.84 115.26 125.45 1wqk n ASN 23 Ca 0.00 -2.20 0.00 0.00 -0.02 0.00 0.00 54.58 52.36 1wqk n ASN 23 Cb 0.48 -0.14 0.00 0.00 -2.36 0.00 0.00 39.78 37.76 1wqk n ASN 23 CO 0.00 0.00 0.00 0.54 -1.03 0.00 0.00 177.26 176.77 1wqk n ARG 24 N -0.68 0.00 0.00 -3.83 3.00 -1.15 -5.07 116.66 108.93 1wqk n ARG 24 Ca 0.05 0.00 0.00 0.00 -0.01 0.00 0.00 57.85 57.89 1wqk n ARG 24 Cb 0.43 -0.16 0.00 0.00 0.00 0.00 0.00 32.46 32.73 1wqk n ARG 24 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1wqk n GLY 25 N 2.72 0.00 3.78 -0.13 0.00 -1.26 -4.99 105.19 105.30 1wqk n GLY 25 Ca 0.00 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.67 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 0.00 2.75 -0.11 1.61 2.02 -1.26 -4.65 117.35 117.71 1wqk s TYR 26 Ca 0.00 1.55 -0.03 0.00 -0.37 0.00 0.00 57.07 58.22 1wqk s TYR 26 Cb 0.00 -3.26 -0.05 0.00 -0.40 0.00 0.00 41.96 38.24 1wqk s TYR 26 CO 0.00 -1.45 -0.12 2.41 -1.57 0.00 0.00 175.55 174.82 1wqk n THR 27 N -1.15 0.60 -4.30 -0.71 -1.04 0.52 -4.92 114.28 103.29 1wqk n THR 27 Ca 0.11 -0.18 -0.16 0.00 -2.04 0.00 0.00 64.05 61.78 1wqk n THR 27 Cb 0.51 -1.37 -0.10 0.00 -1.82 0.00 0.00 70.33 67.55 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 -5.13 1.26 -0.04 3.41 0.00 -0.54 -5.01 107.32 101.27 1wqk s GLY 28 Ca -0.15 -1.59 -0.02 0.00 0.00 0.00 0.00 44.72 42.96 1wqk s GLY 28 CO 0.21 -1.66 0.08 -1.35 0.00 0.00 0.00 173.10 170.38 1wqk s SER 29 N -3.24 -0.06 -0.18 1.64 1.04 -1.26 -0.59 113.70 111.05 1wqk s SER 29 Ca 0.20 0.17 -0.05 0.00 0.48 0.00 0.00 55.95 56.75 1wqk s SER 29 Cb 0.02 0.13 -0.03 0.00 0.10 0.00 0.00 66.02 66.24 1wqk s SER 29 CO 0.04 -0.07 0.01 0.00 0.98 0.00 0.00 173.24 174.20 1wqk s GLY 31 N 0.58 0.62 0.47 0.00 0.00 -1.26 -0.17 107.32 107.56 1wqk s GLY 31 Ca -0.00 -0.20 0.08 0.00 0.00 0.00 0.00 44.72 44.59 1wqk s GLY 31 CO 0.02 3.22 0.47 -0.47 0.00 0.00 0.00 173.10 176.34 1wqk s TYR 32 N 7.44 2.29 -0.56 1.90 5.04 0.09 -4.95 117.35 128.60 1wqk s TYR 32 Ca 0.71 -0.59 -0.29 0.00 -2.44 0.00 0.00 57.07 54.46 1wqk s TYR 32 Cb -0.17 -2.14 -0.11 0.00 0.35 0.00 0.00 41.96 39.89 1wqk s TYR 32 CO 0.28 -0.39 2.44 1.19 -1.34 0.00 0.00 175.55 177.73 1wqk n PHE 33 N -1.73 1.30 -2.27 4.97 3.72 -1.26 -1.61 117.46 120.58 1wqk n PHE 33 Ca 0.05 0.18 -0.19 0.00 -0.05 0.00 0.00 57.45 57.43 1wqk n PHE 33 Cb 0.62 -2.57 -0.02 0.00 -0.94 0.00 0.00 39.48 36.56 1wqk n PHE 33 CO 0.00 0.00 0.00 -0.11 -0.05 0.00 0.00 176.76 176.60 1wqk n LEU 34 N 13.62 -1.73 0.00 4.37 7.94 -1.26 -4.88 117.00 135.05 1wqk n LEU 34 Ca 0.43 0.10 -0.02 0.00 -1.11 0.00 0.00 56.01 55.41 1wqk n LEU 34 Cb 0.38 -2.78 0.01 0.00 0.53 0.00 0.00 43.42 41.56 1wqk n LEU 34 CO 0.76 -0.33 0.24 0.61 -1.11 0.00 0.00 177.39 177.57 1wqk n GLY 35 N -0.88 1.28 2.84 -3.96 0.00 -0.63 -3.99 105.19 99.85 1wqk n GLY 35 Ca -0.22 -1.04 -0.19 0.00 0.00 0.00 0.00 46.02 44.57 1wqk n GLY 35 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 1wqk s ILE 36 N -2.51 0.33 -0.57 -0.61 2.07 -0.07 -0.73 121.20 119.11 1wqk s ILE 36 Ca 0.07 0.02 -0.20 0.00 -1.41 0.00 0.00 60.65 59.12 1wqk s ILE 36 Cb -0.01 -0.41 0.07 0.00 0.13 0.00 0.00 42.46 42.24 1wqk s ILE 36 CO 0.03 0.19 0.76 0.00 -1.91 0.00 0.00 174.94 174.01 1wqk s TYR 39 N 1.11 1.51 0.67 0.00 -0.85 0.25 -0.79 117.35 119.24 1wqk s TYR 39 Ca 0.12 -0.57 -0.11 0.00 -0.52 0.00 0.00 57.07 55.99 1wqk s TYR 39 Cb -0.14 -0.76 -0.01 0.00 0.38 0.00 0.00 41.96 41.43 1wqk s TYR 39 CO 0.05 0.20 1.06 -2.14 -1.52 0.00 0.00 175.55 173.21 1wqk s PRO 40 N -3.01 3.18 -0.68 -3.49 0.02 -1.26 -0.36 135.00 129.41 1wqk s PRO 40 Ca 0.13 0.57 -0.26 0.00 0.02 0.00 0.00 61.00 61.47 1wqk s PRO 40 Cb -0.03 -2.05 -0.06 0.00 0.02 0.00 0.00 34.50 32.38 1wqk s PRO 40 CO 0.04 -0.83 2.11 0.08 -0.33 0.00 0.00 177.00 178.08 1wqk s VAL 41 N -3.27 3.23 -2.96 3.83 1.01 -0.30 -4.64 120.40 117.30 1wqk s VAL 41 Ca 0.57 -0.01 0.24 0.00 0.00 0.00 0.00 61.98 62.78 1wqk s VAL 41 Cb -0.11 -3.57 0.22 0.00 0.00 0.00 0.00 36.38 32.92 1wqk s VAL 41 CO 0.53 -0.54 1.30 -0.67 0.00 0.00 0.00 175.10 175.71