#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 4.32 -3.05 2.61 -2.24 -1.26 -4.99 114.28 109.67 1wqk n THR 2 Ca 0.00 -4.74 -0.40 0.00 -2.27 0.00 0.00 64.05 56.65 1wqk n THR 2 Cb 0.00 -2.44 -0.05 0.00 -2.10 0.00 0.00 70.33 65.74 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 1.01 4.79 0.24 4.28 2.01 -1.26 0.11 115.64 126.82 1wqk s THR 3 Ca 0.41 1.51 0.04 0.00 0.31 0.00 0.00 61.69 63.96 1wqk s THR 3 Cb -0.01 -4.06 -0.05 0.00 0.01 0.00 0.00 72.50 68.39 1wqk s THR 3 CO -0.00 0.38 0.00 0.00 -0.69 0.00 0.00 174.62 174.31 1wqk s TYR 5 N -3.41 1.97 -0.65 0.00 2.02 -1.26 -0.33 117.35 115.69 1wqk s TYR 5 Ca 0.29 -1.36 -0.21 0.00 -0.37 0.00 0.00 57.07 55.42 1wqk s TYR 5 Cb 0.06 -1.42 0.09 0.00 -0.40 0.00 0.00 41.96 40.29 1wqk s TYR 5 CO 0.09 -0.69 0.86 0.00 -1.57 0.00 0.00 175.55 174.24 1wqk n GLY 7 N 5.30 1.76 0.03 0.00 0.00 -1.26 -1.36 105.19 109.66 1wqk n GLY 7 Ca -0.05 0.11 0.00 0.00 0.00 0.00 0.00 46.02 46.08 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 0.23 -3.33 1.61 2.85 -1.26 -5.05 118.16 113.20 1wqk n LYS 8 Ca 0.00 -0.61 -0.39 0.00 -1.05 0.00 0.00 58.31 56.25 1wqk n LYS 8 Cb 0.00 -0.54 -0.09 0.00 -0.65 0.00 0.00 35.03 33.75 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 -0.09 5.13 0.03 0.58 2.01 -0.47 -5.04 115.64 117.80 1wqk s THR 9 Ca 0.00 0.64 -0.30 0.00 0.31 0.00 0.00 61.69 62.34 1wqk s THR 9 Cb 0.00 -3.76 -0.05 0.00 0.01 0.00 0.00 72.50 68.71 1wqk s THR 9 CO 0.00 0.11 1.18 -0.51 -0.69 0.00 0.00 174.62 174.71 1wqk s ILE 10 N 2.16 4.14 0.19 1.82 2.07 -1.26 -0.86 121.20 129.46 1wqk s ILE 10 Ca 0.17 1.53 0.04 0.00 -1.41 0.00 0.00 60.65 60.98 1wqk s ILE 10 Cb -0.16 -3.98 -0.01 0.00 0.13 0.00 0.00 42.46 38.44 1wqk s ILE 10 CO 0.10 0.09 0.14 0.61 -1.91 0.00 0.00 174.94 173.97 1wqk n GLY 11 N 3.23 3.45 3.44 1.50 0.00 0.55 -0.76 105.19 116.60 1wqk n GLY 11 Ca 0.09 -1.84 -0.33 0.00 0.00 0.00 0.00 46.02 43.94 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 -2.68 3.33 -0.40 -0.61 -1.16 0.51 -1.02 121.20 119.17 1wqk s ILE 12 Ca 0.20 -0.58 -0.23 0.00 -0.51 0.00 0.00 60.65 59.54 1wqk s ILE 12 Cb 0.01 -2.40 0.02 0.00 0.61 0.00 0.00 42.46 40.70 1wqk s ILE 12 CO 0.14 0.54 0.76 -0.47 -2.81 0.00 0.00 174.94 173.10 1wqk s TYR 13 N 0.05 3.06 -0.51 3.50 5.04 0.12 -1.03 117.35 127.59 1wqk s TYR 13 Ca -0.03 0.35 -0.17 0.00 -2.44 0.00 0.00 57.07 54.78 1wqk s TYR 13 Cb -0.14 -3.48 0.08 0.00 0.35 0.00 0.00 41.96 38.77 1wqk s TYR 13 CO 0.04 -0.83 0.53 -1.58 -1.34 0.00 0.00 175.55 172.37 1wqk s TRP 14 N 3.13 3.15 0.03 4.97 0.52 0.46 -4.78 118.94 126.42 1wqk s TRP 14 Ca 0.30 -0.86 -0.22 0.00 0.02 0.00 0.00 56.10 55.33 1wqk s TRP 14 Cb -0.13 -3.51 -0.06 0.00 -1.15 0.00 0.00 33.47 28.63 1wqk s TRP 14 CO 0.19 -0.98 0.67 0.12 0.02 0.00 0.00 176.95 176.98 1wqk s PHE 15 N 2.10 3.72 0.00 -1.98 5.36 -1.26 -0.54 117.98 125.39 1wqk s PHE 15 Ca 0.08 1.34 0.00 0.00 -0.96 0.00 0.00 56.93 57.39 1wqk s PHE 15 Cb -0.24 -2.70 0.00 0.00 -0.34 0.00 0.00 43.02 39.75 1wqk s PHE 15 CO 0.08 0.34 0.00 0.41 -1.46 0.00 0.00 175.22 174.59 1wqk n GLY 16 N 2.34 0.32 3.31 13.12 0.00 -0.27 -4.98 105.19 119.05 1wqk n GLY 16 Ca -0.05 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.72 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 -2.08 1.85 -1.75 2.61 -1.32 -1.26 -5.01 115.64 108.68 1wqk s THR 17 Ca 0.00 -1.63 0.16 0.00 -1.21 0.00 0.00 61.69 59.02 1wqk s THR 17 Cb 0.00 -1.68 0.28 0.00 -1.51 0.00 0.00 72.50 69.59 1wqk s THR 17 CO 0.00 -0.05 1.19 2.29 -2.21 0.00 0.00 174.62 175.84 1wqk n LYS 18 N 0.97 1.99 -4.18 7.08 -0.00 -1.26 -3.69 118.16 119.07 1wqk n LYS 18 Ca -0.19 -1.87 -0.16 0.00 -0.00 0.00 0.00 58.31 56.10 1wqk n LYS 18 Cb 0.54 -1.35 -0.14 0.00 -0.00 0.00 0.00 35.03 34.07 1wqk n LYS 18 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 177.40 177.32 1wqk s THR 19 N -1.20 0.47 0.26 0.58 -1.32 -1.26 -5.01 115.64 108.16 1wqk s THR 19 Ca 0.26 -0.31 -0.30 0.00 -1.21 0.00 0.00 61.69 60.14 1wqk s THR 19 Cb 0.16 -0.41 -0.09 0.00 -1.51 0.00 0.00 72.50 70.65 1wqk s THR 19 CO 0.22 0.09 1.10 0.00 -2.21 0.00 0.00 174.62 173.82 1wqk s PRO 21 N -1.21 3.23 -0.91 0.00 0.02 -1.26 -4.89 135.00 129.97 1wqk s PRO 21 Ca 0.45 -1.24 -0.21 0.00 0.02 0.00 0.00 61.00 60.02 1wqk s PRO 21 Cb -0.31 -5.33 -0.12 0.00 0.02 0.00 0.00 34.50 28.76 1wqk s PRO 21 CO 0.40 -2.91 1.95 0.43 -0.33 0.00 0.00 177.00 176.54 1wqk n SER 22 N 11.15 2.81 -0.38 2.53 7.64 -1.26 -4.02 113.62 132.08 1wqk n SER 22 Ca 0.42 -2.71 0.05 0.00 1.01 0.00 0.00 58.87 57.64 1wqk n SER 22 Cb 0.48 -1.28 0.07 0.00 -1.01 0.00 0.00 64.21 62.47 1wqk n SER 22 CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62 1wqk n ASN 23 N 8.34 1.09 0.00 6.43 3.02 -1.26 -4.72 115.26 128.16 1wqk n ASN 23 Ca 0.49 -2.53 0.00 0.00 -0.03 0.00 0.00 54.58 52.51 1wqk n ASN 23 Cb 0.41 -0.31 0.00 0.00 -0.61 0.00 0.00 39.78 39.27 1wqk n ASN 23 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 1wqk n ARG 24 N -0.61 0.54 -2.05 3.52 3.00 -1.26 -5.00 116.66 114.81 1wqk n ARG 24 Ca 0.08 -0.19 -0.02 0.00 -0.01 0.00 0.00 57.85 57.70 1wqk n ARG 24 Cb 0.70 -0.63 -0.00 0.00 0.00 0.00 0.00 32.46 32.53 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 0.13 0.29 3.66 -0.13 0.00 -1.26 -5.00 105.19 102.89 1wqk n GLY 25 Ca 0.00 -0.80 -0.45 0.00 0.00 0.00 0.00 46.02 44.77 1wqk n GLY 25 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1wqk n TYR 26 N -3.99 2.15 -0.11 1.61 4.01 -1.26 -4.67 117.16 114.90 1wqk n TYR 26 Ca -0.02 0.40 -0.20 0.00 -0.16 0.00 0.00 57.90 57.91 1wqk n TYR 26 Cb 0.52 -2.47 -0.09 0.00 -0.31 0.00 0.00 39.34 36.98 1wqk n TYR 26 CO 0.00 0.00 0.00 2.41 -0.46 0.00 0.00 176.86 178.81 1wqk n THR 27 N 2.36 1.25 -4.37 -0.72 -1.04 0.29 -4.91 114.28 107.14 1wqk n THR 27 Ca 0.13 -0.39 -0.19 0.00 -2.04 0.00 0.00 64.05 61.56 1wqk n THR 27 Cb 0.30 -1.56 -0.10 0.00 -1.82 0.00 0.00 70.33 67.15 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 -5.73 1.96 -0.09 3.41 0.00 -0.49 -5.02 107.32 101.36 1wqk s GLY 28 Ca -0.31 -1.82 -0.08 0.00 0.00 0.00 0.00 44.72 42.51 1wqk s GLY 28 CO 0.45 -1.66 0.24 -0.56 0.00 0.00 0.00 173.10 171.57 1wqk s SER 29 N -3.39 -0.25 -0.27 1.64 0.01 -1.26 -1.47 113.70 108.71 1wqk s SER 29 Ca 0.36 0.49 0.03 0.00 1.31 0.00 0.00 55.95 58.13 1wqk s SER 29 Cb 0.07 0.49 0.07 0.00 0.21 0.00 0.00 66.02 66.86 1wqk s SER 29 CO 0.15 -0.08 -0.08 0.00 0.41 0.00 0.00 173.24 173.63 1wqk n GLY 31 N 4.40 0.74 2.79 0.00 0.00 -1.26 0.06 105.19 111.92 1wqk n GLY 31 Ca -0.11 0.36 -0.18 0.00 0.00 0.00 0.00 46.02 46.09 1wqk n GLY 31 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 1wqk n TYR 32 N 0.80 -0.43 -1.81 1.61 9.36 0.36 -4.81 117.16 122.25 1wqk n TYR 32 Ca 0.06 -2.35 -0.29 0.00 3.32 0.00 0.00 57.90 58.64 1wqk n TYR 32 Cb 0.35 0.17 -0.04 0.00 -0.63 0.00 0.00 39.34 39.19 1wqk n TYR 32 CO 0.00 0.00 0.00 -0.06 0.22 0.00 0.00 176.86 177.02 1wqk s PHE 33 N -3.07 1.42 -1.67 2.98 0.08 -1.26 -1.60 117.98 114.87 1wqk s PHE 33 Ca 0.29 1.24 0.00 0.00 0.12 0.00 0.00 56.93 58.58 1wqk s PHE 33 Cb 0.01 -3.79 0.00 0.00 -0.57 0.00 0.00 43.02 38.67 1wqk s PHE 33 CO 0.20 -2.05 0.00 1.28 -0.10 0.00 0.00 175.22 174.55 1wqk n LEU 34 N 15.28 -1.76 0.00 -0.37 4.77 -1.26 -4.94 117.00 128.73 1wqk n LEU 34 Ca 0.36 0.07 -0.07 0.00 -0.03 0.00 0.00 56.01 56.34 1wqk n LEU 34 Cb 0.49 -2.67 0.01 0.00 -2.33 0.00 0.00 43.42 38.93 1wqk n LEU 34 CO 0.64 -0.35 0.27 0.61 -1.33 0.00 0.00 177.39 177.24 1wqk n GLY 35 N -0.95 1.68 2.81 -0.72 0.00 -0.63 -1.11 105.19 106.27 1wqk n GLY 35 Ca -0.21 -1.27 -0.15 0.00 0.00 0.00 0.00 46.02 44.38 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 -2.50 -0.08 -0.62 -0.61 2.07 0.30 -0.48 121.20 119.28 1wqk s ILE 36 Ca 0.13 0.24 -0.23 0.00 -1.41 0.00 0.00 60.65 59.38 1wqk s ILE 36 Cb -0.02 -0.15 0.06 0.00 0.13 0.00 0.00 42.46 42.47 1wqk s ILE 36 CO 0.09 0.10 0.95 0.00 -1.91 0.00 0.00 174.94 174.17 1wqk s TYR 39 N 1.74 2.30 0.87 0.00 -0.85 -0.54 -0.36 117.35 120.51 1wqk s TYR 39 Ca 0.09 -0.34 -0.11 0.00 -0.52 0.00 0.00 57.07 56.18 1wqk s TYR 39 Cb -0.16 -1.08 0.12 0.00 0.38 0.00 0.00 41.96 41.22 1wqk s TYR 39 CO 0.10 0.59 1.16 -2.14 -1.52 0.00 0.00 175.55 173.74 1wqk s PRO 40 N -3.01 1.31 -0.21 -3.49 0.02 -1.26 -0.55 135.00 127.80 1wqk s PRO 40 Ca 0.25 1.59 -0.30 0.00 0.02 0.00 0.00 61.00 62.55 1wqk s PRO 40 Cb -0.07 -1.76 -0.07 0.00 0.02 0.00 0.00 34.50 32.62 1wqk s PRO 40 CO 0.12 -2.42 2.17 1.55 -0.33 0.00 0.00 177.00 178.09 1wqk n VAL 41 N -3.88 0.37 0.00 3.83 3.14 0.06 -4.42 118.33 117.44 1wqk n VAL 41 Ca 0.12 -0.37 0.00 0.00 -2.96 0.00 0.00 64.34 61.13 1wqk n VAL 41 Cb 0.52 -2.31 0.00 0.00 -1.06 0.00 0.00 33.84 30.98 1wqk n VAL 41 CO 0.00 0.00 0.00 -0.67 -6.46 0.00 0.00 176.83 169.70