#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 2.61 -2.39 2.61 -2.24 -1.26 -5.01 114.28 108.61 1wqk n THR 2 Ca 0.00 -2.81 -0.43 0.00 -2.27 0.00 0.00 64.05 58.55 1wqk n THR 2 Cb 0.00 -0.38 -0.02 0.00 -2.10 0.00 0.00 70.33 67.83 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 -3.35 4.18 0.22 4.28 2.01 -1.26 0.01 115.64 121.72 1wqk s THR 3 Ca 0.46 1.46 0.11 0.00 0.31 0.00 0.00 61.69 64.03 1wqk s THR 3 Cb 0.41 -3.94 -0.05 0.00 0.01 0.00 0.00 72.50 68.93 1wqk s THR 3 CO -0.00 -0.08 -0.20 0.00 -0.69 0.00 0.00 174.62 173.65 1wqk s TYR 5 N -2.22 1.09 -0.75 0.00 2.02 -1.26 0.15 117.35 116.39 1wqk s TYR 5 Ca 0.23 -0.43 -0.14 0.00 -0.37 0.00 0.00 57.07 56.37 1wqk s TYR 5 Cb -0.06 -0.95 0.19 0.00 -0.40 0.00 0.00 41.96 40.75 1wqk s TYR 5 CO 0.11 -0.34 0.69 0.00 -1.57 0.00 0.00 175.55 174.44 1wqk n GLY 7 N 4.27 1.37 0.00 0.00 0.00 -1.26 -1.34 105.19 108.22 1wqk n GLY 7 Ca 0.07 0.24 0.00 0.00 0.00 0.00 0.00 46.02 46.33 1wqk n GLY 7 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1wqk n LYS 8 N 0.00 0.57 -3.09 1.61 5.02 -1.26 -5.02 118.16 115.99 1wqk n LYS 8 Ca 0.00 -0.36 -0.40 0.00 -2.02 0.00 0.00 58.31 55.53 1wqk n LYS 8 Cb 0.00 -0.86 -0.05 0.00 -0.02 0.00 0.00 35.03 34.11 1wqk n LYS 8 CO 0.00 0.00 0.00 0.99 -0.52 0.00 0.00 177.40 177.87 1wqk s THR 9 N -0.19 5.06 -0.38 -0.18 2.01 -0.45 -5.02 115.64 116.48 1wqk s THR 9 Ca 0.00 1.36 -0.24 0.00 0.31 0.00 0.00 61.69 63.12 1wqk s THR 9 Cb 0.00 -4.00 0.01 0.00 0.01 0.00 0.00 72.50 68.52 1wqk s THR 9 CO 0.00 0.25 0.84 -0.51 -0.69 0.00 0.00 174.62 174.50 1wqk s ILE 10 N 0.89 4.66 0.22 1.82 2.07 -1.26 -0.38 121.20 129.21 1wqk s ILE 10 Ca 0.35 0.90 0.00 0.00 -1.41 0.00 0.00 60.65 60.50 1wqk s ILE 10 Cb -0.17 -4.28 -0.00 0.00 0.13 0.00 0.00 42.46 38.14 1wqk s ILE 10 CO 0.16 -0.54 0.01 0.61 -1.91 0.00 0.00 174.94 173.28 1wqk n GLY 11 N 4.58 3.88 3.11 1.50 0.00 0.12 -1.55 105.19 116.84 1wqk n GLY 11 Ca 0.04 -2.23 -0.25 0.00 0.00 0.00 0.00 46.02 43.58 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 -1.88 1.33 -0.60 -0.61 -1.16 0.10 -0.29 121.20 118.09 1wqk s ILE 12 Ca 0.02 -0.65 -0.26 0.00 -0.51 0.00 0.00 60.65 59.25 1wqk s ILE 12 Cb 0.00 -1.16 0.04 0.00 0.61 0.00 0.00 42.46 41.95 1wqk s ILE 12 CO 0.01 0.39 1.07 -0.47 -2.81 0.00 0.00 174.94 173.13 1wqk s TYR 13 N 0.15 2.65 -0.70 3.50 5.04 0.10 -1.00 117.35 127.10 1wqk s TYR 13 Ca -0.06 0.05 -0.21 0.00 -2.44 0.00 0.00 57.07 54.40 1wqk s TYR 13 Cb -0.12 -4.31 0.08 0.00 0.35 0.00 0.00 41.96 37.97 1wqk s TYR 13 CO 0.02 -1.56 0.96 -1.58 -1.34 0.00 0.00 175.55 172.05 1wqk s TRP 14 N 4.51 2.79 -0.46 4.97 0.52 0.11 -4.87 118.94 126.52 1wqk s TRP 14 Ca 0.34 -0.74 -0.25 0.00 0.02 0.00 0.00 56.10 55.47 1wqk s TRP 14 Cb -0.11 -4.26 0.03 0.00 -1.15 0.00 0.00 33.47 27.98 1wqk s TRP 14 CO 0.19 -1.58 0.88 0.12 0.02 0.00 0.00 176.95 176.59 1wqk s PHE 15 N 3.67 2.95 0.00 -1.98 5.36 -1.26 -1.19 117.98 125.53 1wqk s PHE 15 Ca 0.22 0.32 0.00 0.00 -0.96 0.00 0.00 56.93 56.51 1wqk s PHE 15 Cb -0.16 -3.87 0.00 0.00 -0.34 0.00 0.00 43.02 38.65 1wqk s PHE 15 CO 0.06 -1.06 0.00 0.41 -1.46 0.00 0.00 175.22 173.17 1wqk n GLY 16 N 4.94 1.66 3.29 13.12 0.00 -1.22 -5.03 105.19 121.96 1wqk n GLY 16 Ca 0.05 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.93 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 -2.00 0.03 -1.25 2.61 -1.32 -1.25 -5.02 115.64 107.44 1wqk s THR 17 Ca 0.00 -0.24 0.22 0.00 -1.21 0.00 0.00 61.69 60.46 1wqk s THR 17 Cb 0.00 -0.64 -0.11 0.00 -1.51 0.00 0.00 72.50 70.24 1wqk s THR 17 CO 0.00 -0.13 1.07 1.17 -2.21 0.00 0.00 174.62 174.52 1wqk n LYS 18 N 1.85 0.29 -5.22 7.08 3.00 -1.26 -3.77 118.16 120.13 1wqk n LYS 18 Ca -0.18 -0.22 -0.31 0.00 -0.00 0.00 0.00 58.31 57.59 1wqk n LYS 18 Cb 0.57 -1.50 -0.15 0.00 0.00 0.00 0.00 35.03 33.95 1wqk n LYS 18 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.40 178.35 1wqk s THR 19 N -2.87 2.27 0.02 3.15 -4.23 -1.26 -4.98 115.64 107.74 1wqk s THR 19 Ca 0.12 -1.02 -0.30 0.00 -1.18 0.00 0.00 61.69 59.30 1wqk s THR 19 Cb 0.17 -1.81 -0.04 0.00 1.34 0.00 0.00 72.50 72.15 1wqk s THR 19 CO 0.76 0.58 1.14 0.00 -0.54 0.00 0.00 174.62 176.56 1wqk n PRO 21 N 4.17 0.84 -1.04 0.00 -0.02 -1.26 -4.80 135.00 132.88 1wqk n PRO 21 Ca 0.09 -0.19 -0.17 0.00 -2.02 0.00 0.00 63.50 61.20 1wqk n PRO 21 Cb 0.47 -3.32 -0.14 0.00 -0.02 0.00 0.00 33.50 30.50 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 15.99 5.81 0.00 2.55 7.64 -1.26 -2.78 113.62 141.57 1wqk n SER 22 Ca 0.42 -2.48 0.00 0.00 1.01 0.00 0.00 58.87 57.82 1wqk n SER 22 Cb 0.48 -1.42 0.00 0.00 -1.01 0.00 0.00 64.21 62.26 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 2.72 0.06 -0.11 6.43 6.94 -1.26 -4.90 115.26 125.14 1wqk n ASN 23 Ca 0.49 -1.00 -0.21 0.00 -0.02 0.00 0.00 54.58 53.84 1wqk n ASN 23 Cb 0.77 0.00 -0.08 0.00 -2.36 0.00 0.00 39.78 38.11 1wqk n ASN 23 CO 0.00 0.00 0.00 -1.14 -1.03 0.00 0.00 177.26 175.09 1wqk n ARG 24 N -0.00 0.49 0.00 -3.83 3.00 -1.12 -5.03 116.66 110.17 1wqk n ARG 24 Ca 0.00 0.18 0.00 0.00 -0.00 0.00 0.00 57.85 58.03 1wqk n ARG 24 Cb 0.25 -1.33 0.00 0.00 0.00 0.00 0.00 32.46 31.38 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 1.87 -0.06 3.75 5.14 0.00 -1.26 -4.89 105.19 109.74 1wqk n GLY 25 Ca -0.42 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.19 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 -0.39 3.32 -0.05 1.61 2.02 -1.26 -4.52 117.35 118.07 1wqk s TYR 26 Ca 0.00 1.46 0.03 0.00 -0.37 0.00 0.00 57.07 58.19 1wqk s TYR 26 Cb 0.00 -3.50 -0.05 0.00 -0.40 0.00 0.00 41.96 38.00 1wqk s TYR 26 CO 0.00 -1.36 -0.00 2.41 -1.57 0.00 0.00 175.55 175.02 1wqk n THR 27 N 1.61 0.34 -4.49 -0.71 -1.04 0.55 -4.91 114.28 105.62 1wqk n THR 27 Ca 0.02 -0.19 -0.25 0.00 -2.04 0.00 0.00 64.05 61.60 1wqk n THR 27 Cb 0.43 -0.83 -0.08 0.00 -1.82 0.00 0.00 70.33 68.03 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 -3.87 2.51 -0.10 3.41 0.00 0.19 -5.01 107.32 104.45 1wqk s GLY 28 Ca -0.04 -1.37 -0.30 0.00 0.00 0.00 0.00 44.72 43.00 1wqk s GLY 28 CO 0.18 -1.80 0.78 -1.35 0.00 0.00 0.00 173.10 170.91 1wqk s SER 29 N -3.57 -0.58 0.11 1.64 1.04 -1.26 -0.98 113.70 110.10 1wqk s SER 29 Ca 0.26 0.69 0.08 0.00 0.48 0.00 0.00 55.95 57.47 1wqk s SER 29 Cb 0.03 0.56 -0.04 0.00 0.10 0.00 0.00 66.02 66.67 1wqk s SER 29 CO 0.15 -0.49 -0.20 0.00 0.98 0.00 0.00 173.24 173.68 1wqk s GLY 31 N -2.06 2.34 0.25 0.00 0.00 -1.26 -0.05 107.32 106.55 1wqk s GLY 31 Ca 0.08 0.18 0.07 0.00 0.00 0.00 0.00 44.72 45.04 1wqk s GLY 31 CO 0.05 1.63 -0.09 -0.47 0.00 0.00 0.00 173.10 174.21 1wqk s TYR 32 N 1.74 1.87 -0.39 1.90 6.14 -0.04 -4.89 117.35 123.68 1wqk s TYR 32 Ca 0.42 -0.65 -0.30 0.00 0.64 0.00 0.00 57.07 57.18 1wqk s TYR 32 Cb -0.18 -0.99 -0.09 0.00 0.42 0.00 0.00 41.96 41.13 1wqk s TYR 32 CO 0.16 0.31 2.30 1.19 0.64 0.00 0.00 175.55 180.16 1wqk n PHE 33 N -0.51 1.61 -1.54 4.97 3.72 -1.26 -1.56 117.46 122.89 1wqk n PHE 33 Ca -0.06 0.10 -0.17 0.00 -0.05 0.00 0.00 57.45 57.26 1wqk n PHE 33 Cb 0.62 -2.62 -0.07 0.00 -0.94 0.00 0.00 39.48 36.47 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 12.23 -1.29 -3.83 4.37 4.32 -1.26 -4.92 117.00 126.63 1wqk n LEU 34 Ca 0.38 0.41 -0.06 0.00 -0.02 0.00 0.00 56.01 56.71 1wqk n LEU 34 Cb 0.38 -2.46 0.01 0.00 -1.62 0.00 0.00 43.42 39.72 1wqk n LEU 34 CO 0.72 -0.87 0.61 -0.83 -1.22 0.00 0.00 177.39 175.81 1wqk s GLY 35 N -2.79 0.13 -0.06 -0.72 0.00 -0.60 -3.39 107.32 99.88 1wqk s GLY 35 Ca 0.00 -0.44 0.05 0.00 0.00 0.00 0.00 44.72 44.33 1wqk s GLY 35 CO 0.00 0.41 -0.21 -1.50 0.00 0.00 0.00 173.10 171.80 1wqk s ILE 36 N -2.74 1.79 -0.71 0.90 2.07 -0.33 -0.86 121.20 121.31 1wqk s ILE 36 Ca 0.16 -0.90 -0.18 0.00 -1.41 0.00 0.00 60.65 58.32 1wqk s ILE 36 Cb -0.04 -1.53 0.14 0.00 0.13 0.00 0.00 42.46 41.15 1wqk s ILE 36 CO 0.08 0.50 0.80 0.00 -1.91 0.00 0.00 174.94 174.41 1wqk s TYR 39 N 0.82 1.44 0.45 0.00 -0.85 -0.15 0.01 117.35 119.07 1wqk s TYR 39 Ca 0.20 -0.68 -0.02 0.00 -0.52 0.00 0.00 57.07 56.06 1wqk s TYR 39 Cb -0.14 -0.70 -0.01 0.00 0.38 0.00 0.00 41.96 41.48 1wqk s TYR 39 CO 0.07 0.19 0.70 -1.25 -1.52 0.00 0.00 175.55 173.74 1wqk s PRO 40 N -3.66 3.24 -0.88 -3.49 0.04 -1.26 -0.33 135.00 128.66 1wqk s PRO 40 Ca 0.19 -0.25 -0.25 0.00 0.04 0.00 0.00 61.00 60.72 1wqk s PRO 40 Cb 0.01 -2.51 -0.02 0.00 0.04 0.00 0.00 34.50 32.02 1wqk s PRO 40 CO 0.03 -0.22 1.79 0.08 0.04 0.00 0.00 177.00 178.72 1wqk s VAL 41 N -2.59 3.55 0.00 -0.36 1.01 -0.59 -4.51 120.40 116.90 1wqk s VAL 41 Ca 0.47 -0.33 0.00 0.00 0.00 0.00 0.00 61.98 62.12 1wqk s VAL 41 Cb -0.10 -4.27 0.00 0.00 0.00 0.00 0.00 36.38 32.01 1wqk s VAL 41 CO 0.40 -1.21 0.00 -0.67 0.00 0.00 0.00 175.10 173.62