#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wqk s THR 2 N 0.00 3.68 -0.06 2.61 -4.23 -1.26 -4.94 115.64 111.43 1wqk s THR 2 Ca 0.00 0.77 -0.30 0.00 -1.18 0.00 0.00 61.69 60.99 1wqk s THR 2 Cb 0.00 -3.65 -0.03 0.00 1.34 0.00 0.00 72.50 70.16 1wqk s THR 2 CO 0.00 -0.24 1.19 -0.89 -0.54 0.00 0.00 174.62 174.14 1wqk s THR 3 N 5.01 4.29 0.05 3.99 2.01 -1.26 -1.20 115.64 128.53 1wqk s THR 3 Ca 0.72 1.61 0.00 0.00 0.31 0.00 0.00 61.69 64.33 1wqk s THR 3 Cb -0.26 -4.04 -0.03 0.00 0.01 0.00 0.00 72.50 68.18 1wqk s THR 3 CO 0.29 -0.01 -0.05 0.00 -0.69 0.00 0.00 174.62 174.17 1wqk s TYR 5 N -2.51 0.87 -0.39 0.00 2.02 -1.26 -0.02 117.35 116.06 1wqk s TYR 5 Ca -0.04 -0.27 -0.04 0.00 -0.37 0.00 0.00 57.07 56.36 1wqk s TYR 5 Cb -0.02 -0.75 0.09 0.00 -0.40 0.00 0.00 41.96 40.89 1wqk s TYR 5 CO -0.04 -0.22 0.18 0.00 -1.57 0.00 0.00 175.55 173.90 1wqk n GLY 7 N 4.65 1.46 0.00 0.00 0.00 -1.26 -1.06 105.19 108.98 1wqk n GLY 7 Ca -0.05 0.29 0.00 0.00 0.00 0.00 0.00 46.02 46.25 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 -0.06 -2.96 1.61 2.85 -1.26 -5.07 118.16 113.27 1wqk n LYS 8 Ca 0.00 -0.05 -0.41 0.00 -1.05 0.00 0.00 58.31 56.81 1wqk n LYS 8 Cb 0.00 -0.52 -0.04 0.00 -0.65 0.00 0.00 35.03 33.81 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 -0.00 4.94 -0.18 0.58 2.01 -0.22 -5.02 115.64 117.74 1wqk s THR 9 Ca 0.00 1.51 -0.29 0.00 0.31 0.00 0.00 61.69 63.22 1wqk s THR 9 Cb 0.00 -4.08 0.00 0.00 0.01 0.00 0.00 72.50 68.43 1wqk s THR 9 CO 0.00 0.09 1.04 -0.51 -0.69 0.00 0.00 174.62 174.55 1wqk s ILE 10 N 1.81 4.69 0.26 1.82 1.10 -1.26 -0.75 121.20 128.88 1wqk s ILE 10 Ca 0.36 2.01 0.02 0.00 -0.51 0.00 0.00 60.65 62.54 1wqk s ILE 10 Cb -0.17 -4.30 -0.01 0.00 0.15 0.00 0.00 42.46 38.14 1wqk s ILE 10 CO 0.13 -0.12 0.09 0.61 -2.11 0.00 0.00 174.94 173.55 1wqk n GLY 11 N 3.26 3.57 3.35 1.50 0.00 0.97 -1.34 105.19 116.49 1wqk n GLY 11 Ca 0.11 -2.06 -0.32 0.00 0.00 0.00 0.00 46.02 43.75 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 -2.50 2.65 -0.59 -0.61 -1.16 0.03 -1.09 121.20 117.93 1wqk s ILE 12 Ca 0.12 -0.84 -0.22 0.00 -0.51 0.00 0.00 60.65 59.21 1wqk s ILE 12 Cb 0.01 -2.04 0.06 0.00 0.61 0.00 0.00 42.46 41.10 1wqk s ILE 12 CO 0.09 0.56 0.86 -0.47 -2.81 0.00 0.00 174.94 173.17 1wqk s TYR 13 N -0.07 2.81 -0.76 3.50 5.04 -0.34 -1.00 117.35 126.54 1wqk s TYR 13 Ca -0.04 -0.46 -0.25 0.00 -2.44 0.00 0.00 57.07 53.88 1wqk s TYR 13 Cb -0.14 -4.06 0.05 0.00 0.35 0.00 0.00 41.96 38.16 1wqk s TYR 13 CO 0.04 -1.41 1.19 -1.58 -1.34 0.00 0.00 175.55 172.44 1wqk s TRP 14 N 3.60 2.49 -0.61 4.97 0.52 0.99 -4.68 118.94 126.21 1wqk s TRP 14 Ca 0.22 -0.39 -0.23 0.00 0.02 0.00 0.00 56.10 55.72 1wqk s TRP 14 Cb -0.17 -4.51 0.06 0.00 -1.15 0.00 0.00 33.47 27.70 1wqk s TRP 14 CO 0.12 -1.89 0.94 0.12 0.02 0.00 0.00 176.95 176.27 1wqk s PHE 15 N 4.92 2.73 0.00 -1.98 5.36 -1.26 -1.24 117.98 126.51 1wqk s PHE 15 Ca 0.32 -0.35 0.00 0.00 -0.96 0.00 0.00 56.93 55.94 1wqk s PHE 15 Cb -0.10 -4.18 0.00 0.00 -0.34 0.00 0.00 43.02 38.40 1wqk s PHE 15 CO 0.09 -1.52 0.00 0.41 -1.46 0.00 0.00 175.22 172.74 1wqk n GLY 16 N 5.25 3.42 3.91 13.12 0.00 -1.25 -5.04 105.19 124.60 1wqk n GLY 16 Ca -0.02 -0.52 -0.27 0.00 0.00 0.00 0.00 46.02 45.21 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 0.00 4.98 -0.19 2.61 -1.32 -1.26 -5.00 115.64 115.47 1wqk s THR 17 Ca 0.00 0.02 0.15 0.00 -1.21 0.00 0.00 61.69 60.65 1wqk s THR 17 Cb 0.00 -3.82 0.33 0.00 -1.51 0.00 0.00 72.50 67.50 1wqk s THR 17 CO 0.00 -0.60 1.22 0.29 -2.21 0.00 0.00 174.62 173.32 1wqk n LYS 18 N -1.69 2.13 -3.81 7.08 4.01 -1.26 -3.70 118.16 120.92 1wqk n LYS 18 Ca -0.01 -2.49 -0.12 0.00 -0.51 0.00 0.00 58.31 55.18 1wqk n LYS 18 Cb 0.55 -1.53 -0.10 0.00 -0.51 0.00 0.00 35.03 33.44 1wqk n LYS 18 CO 0.00 0.00 0.00 -0.08 -1.11 0.00 0.00 177.40 176.21 1wqk s THR 19 N -2.49 0.05 -0.13 -0.18 -1.32 -1.26 -4.97 115.64 105.34 1wqk s THR 19 Ca 0.31 -0.41 -0.29 0.00 -1.21 0.00 0.00 61.69 60.09 1wqk s THR 19 Cb 0.25 -0.48 -0.01 0.00 -1.51 0.00 0.00 72.50 70.76 1wqk s THR 19 CO 0.05 -0.22 1.01 0.00 -2.21 0.00 0.00 174.62 173.25 1wqk s PRO 21 N 2.25 4.17 -0.88 0.00 0.02 -1.26 -4.89 135.00 134.40 1wqk s PRO 21 Ca 0.47 2.49 -0.07 0.00 0.02 0.00 0.00 61.00 63.92 1wqk s PRO 21 Cb -0.18 -3.11 -0.08 0.00 0.02 0.00 0.00 34.50 31.16 1wqk s PRO 21 CO 0.15 -0.68 3.03 0.43 -0.33 0.00 0.00 177.00 179.60 1wqk n SER 22 N 3.93 7.18 0.00 2.53 7.64 -1.26 -3.62 113.62 130.03 1wqk n SER 22 Ca 0.15 -2.76 0.00 0.00 1.01 0.00 0.00 58.87 57.27 1wqk n SER 22 Cb 0.37 -1.42 0.00 0.00 -1.01 0.00 0.00 64.21 62.14 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 2.44 0.00 -0.08 6.43 6.94 -1.26 -4.92 115.26 124.81 1wqk n ASN 23 Ca 0.60 -1.00 -0.14 0.00 -0.02 0.00 0.00 54.58 54.02 1wqk n ASN 23 Cb 0.50 0.00 -0.06 0.00 -2.36 0.00 0.00 39.78 37.85 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 0.35 0.00 -3.83 3.00 -1.24 -5.04 116.66 109.90 1wqk n ARG 24 Ca 0.00 0.12 0.00 0.00 -0.00 0.00 0.00 57.85 57.97 1wqk n ARG 24 Cb 0.26 -1.19 0.00 0.00 0.00 0.00 0.00 32.46 31.54 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 2.42 1.15 3.76 5.14 0.00 -1.26 -4.82 105.19 111.57 1wqk n GLY 25 Ca -0.29 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.33 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 -2.00 3.34 -0.48 1.61 2.02 -1.26 -4.56 117.35 116.02 1wqk s TYR 26 Ca 0.00 1.50 0.14 0.00 -0.37 0.00 0.00 57.07 58.34 1wqk s TYR 26 Cb 0.00 -3.48 -0.17 0.00 -0.40 0.00 0.00 41.96 37.91 1wqk s TYR 26 CO 0.00 -1.25 0.52 -2.37 -1.57 0.00 0.00 175.55 170.87 1wqk n THR 27 N 1.49 0.00 -3.82 -0.71 5.66 0.58 -4.91 114.28 112.58 1wqk n THR 27 Ca 0.01 -0.22 -0.06 0.00 -3.05 0.00 0.00 64.05 60.74 1wqk n THR 27 Cb 0.44 0.76 -0.02 0.00 -1.55 0.00 0.00 70.33 69.96 1wqk n THR 27 CO 0.00 0.00 0.00 -0.83 -3.05 0.00 0.00 175.07 171.19 1wqk s GLY 28 N -2.71 -0.12 -0.02 1.09 0.00 -0.59 -5.02 107.32 99.95 1wqk s GLY 28 Ca 0.02 -0.16 -0.04 0.00 0.00 0.00 0.00 44.72 44.54 1wqk s GLY 28 CO 0.58 -0.02 0.09 -1.35 0.00 0.00 0.00 173.10 172.41 1wqk s SER 29 N -2.94 -0.01 -0.05 1.64 1.04 -1.26 -1.10 113.70 111.02 1wqk s SER 29 Ca 0.12 -0.03 0.04 0.00 0.48 0.00 0.00 55.95 56.56 1wqk s SER 29 Cb -0.04 0.20 -0.00 0.00 0.10 0.00 0.00 66.02 66.27 1wqk s SER 29 CO 0.05 -0.19 -0.18 0.00 0.98 0.00 0.00 173.24 173.91 1wqk s GLY 31 N 0.08 1.76 0.39 0.00 0.00 -1.26 0.05 107.32 108.33 1wqk s GLY 31 Ca -0.05 0.60 0.05 0.00 0.00 0.00 0.00 44.72 45.31 1wqk s GLY 31 CO 0.03 2.50 0.04 -0.19 0.00 0.00 0.00 173.10 175.48 1wqk s TYR 32 N 3.15 2.15 -0.45 1.90 1.51 -0.39 -4.92 117.35 120.29 1wqk s TYR 32 Ca 0.58 -0.88 -0.29 0.00 -1.01 0.00 0.00 57.07 55.47 1wqk s TYR 32 Cb -0.25 -1.50 -0.09 0.00 -0.11 0.00 0.00 41.96 40.01 1wqk s TYR 32 CO 0.19 0.18 2.36 1.19 -1.11 0.00 0.00 175.55 178.36 1wqk n PHE 33 N -0.89 1.50 -2.16 2.71 3.72 -1.26 -1.55 117.46 119.53 1wqk n PHE 33 Ca -0.06 0.11 -0.19 0.00 -0.05 0.00 0.00 57.45 57.27 1wqk n PHE 33 Cb 0.67 -2.61 -0.03 0.00 -0.94 0.00 0.00 39.48 36.56 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 13.24 -1.65 -3.86 4.37 7.99 -1.26 -4.92 117.00 130.90 1wqk n LEU 34 Ca 0.39 0.16 -0.07 0.00 -0.01 0.00 0.00 56.01 56.48 1wqk n LEU 34 Cb 0.41 -2.72 -0.02 0.00 -0.11 0.00 0.00 43.42 40.98 1wqk n LEU 34 CO 0.73 -0.43 0.46 -0.83 -1.51 0.00 0.00 177.39 175.81 1wqk s GLY 35 N -2.21 -0.02 -0.11 -0.72 0.00 -0.59 -3.76 107.32 99.91 1wqk s GLY 35 Ca 0.00 -0.37 0.02 0.00 0.00 0.00 0.00 44.72 44.36 1wqk s GLY 35 CO 0.00 -0.14 -0.18 -1.50 0.00 0.00 0.00 173.10 171.29 1wqk s ILE 36 N -3.80 2.64 -0.54 0.90 2.07 -0.37 -1.26 121.20 120.83 1wqk s ILE 36 Ca 0.12 -0.82 -0.18 0.00 -1.41 0.00 0.00 60.65 58.36 1wqk s ILE 36 Cb -0.06 -2.06 0.09 0.00 0.13 0.00 0.00 42.46 40.56 1wqk s ILE 36 CO 0.07 0.54 0.60 0.00 -1.91 0.00 0.00 174.94 174.25 1wqk s TYR 39 N 1.58 2.09 0.51 0.00 -0.85 -0.26 -0.79 117.35 119.63 1wqk s TYR 39 Ca 0.11 -0.40 -0.06 0.00 -0.52 0.00 0.00 57.07 56.20 1wqk s TYR 39 Cb -0.15 -1.11 -0.03 0.00 0.38 0.00 0.00 41.96 41.05 1wqk s TYR 39 CO 0.08 0.32 0.83 -1.25 -1.52 0.00 0.00 175.55 174.01 1wqk s PRO 40 N -2.18 3.50 -0.90 -3.49 0.04 -1.26 -0.30 135.00 130.40 1wqk s PRO 40 Ca 0.13 0.26 -0.24 0.00 0.04 0.00 0.00 61.00 61.18 1wqk s PRO 40 Cb -0.09 -2.32 -0.01 0.00 0.04 0.00 0.00 34.50 32.11 1wqk s PRO 40 CO 0.06 -0.30 1.76 0.54 0.04 0.00 0.00 177.00 179.10 1wqk s VAL 41 N -2.83 3.59 -2.00 -0.36 0.11 -0.45 -4.68 120.40 113.78 1wqk s VAL 41 Ca 0.49 -0.40 0.21 0.00 -2.93 0.00 0.00 61.98 59.35 1wqk s VAL 41 Cb -0.10 -4.35 0.59 0.00 -1.53 0.00 0.00 36.38 30.99 1wqk s VAL 41 CO 0.46 -1.27 1.63 -0.67 -3.33 0.00 0.00 175.10 171.92