#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 4.54 -0.20 2.61 -4.23 -1.26 -4.97 115.64 112.13 1wqk s THR 2 Ca 0.00 -2.10 -0.11 0.00 -1.18 0.00 0.00 61.69 58.30 1wqk s THR 2 Cb 0.00 -5.03 -0.05 0.00 1.34 0.00 0.00 72.50 68.76 1wqk s THR 2 CO 0.00 -1.81 0.17 -0.89 -0.54 0.00 0.00 174.62 171.55 1wqk s THR 3 N 3.05 5.39 0.09 3.99 2.01 -1.26 -0.17 115.64 128.73 1wqk s THR 3 Ca 0.47 0.26 0.04 0.00 0.31 0.00 0.00 61.69 62.77 1wqk s THR 3 Cb 0.00 -3.51 -0.03 0.00 0.01 0.00 0.00 72.50 68.97 1wqk s THR 3 CO 0.02 0.42 -0.12 0.00 -0.69 0.00 0.00 174.62 174.25 1wqk s TYR 5 N -2.04 2.49 -0.19 0.00 1.51 -1.26 -0.01 117.35 117.84 1wqk s TYR 5 Ca 0.03 -1.03 0.01 0.00 -1.01 0.00 0.00 57.07 55.08 1wqk s TYR 5 Cb -0.05 -1.67 0.04 0.00 -0.11 0.00 0.00 41.96 40.16 1wqk s TYR 5 CO 0.01 -0.42 -0.12 0.00 -1.11 0.00 0.00 175.55 173.91 1wqk n GLY 7 N 4.66 1.61 0.00 0.00 0.00 -1.26 -1.46 105.19 108.74 1wqk n GLY 7 Ca -0.16 0.18 0.00 0.00 0.00 0.00 0.00 46.02 46.04 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 0.27 -3.84 1.61 2.85 -1.26 -5.09 118.16 112.70 1wqk n LYS 8 Ca 0.00 -0.12 -0.36 0.00 -1.05 0.00 0.00 58.31 56.78 1wqk n LYS 8 Cb 0.00 -0.54 -0.07 0.00 -0.65 0.00 0.00 35.03 33.77 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 -0.07 5.39 -0.13 0.58 2.01 -0.54 -5.08 115.64 117.80 1wqk s THR 9 Ca 0.00 0.17 -0.16 0.00 0.31 0.00 0.00 61.69 62.01 1wqk s THR 9 Cb 0.00 -3.40 -0.04 0.00 0.01 0.00 0.00 72.50 69.07 1wqk s THR 9 CO 0.00 0.53 0.40 -0.51 -0.69 0.00 0.00 174.62 174.35 1wqk s ILE 10 N -0.33 5.23 0.05 1.82 2.07 -1.26 -0.72 121.20 128.07 1wqk s ILE 10 Ca 0.11 0.78 0.01 0.00 -1.41 0.00 0.00 60.65 60.15 1wqk s ILE 10 Cb -0.12 -3.74 -0.00 0.00 0.13 0.00 0.00 42.46 38.73 1wqk s ILE 10 CO 0.01 0.36 0.04 0.61 -1.91 0.00 0.00 174.94 174.04 1wqk n GLY 11 N 3.30 3.90 3.45 1.50 0.00 0.99 -0.52 105.19 117.80 1wqk n GLY 11 Ca -0.09 -1.74 -0.33 0.00 0.00 0.00 0.00 46.02 43.86 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 -2.10 3.53 -0.46 -0.61 -1.16 0.85 -1.41 121.20 119.84 1wqk s ILE 12 Ca 0.05 -0.49 -0.24 0.00 -0.51 0.00 0.00 60.65 59.46 1wqk s ILE 12 Cb 0.00 -2.52 0.03 0.00 0.61 0.00 0.00 42.46 40.58 1wqk s ILE 12 CO 0.04 0.51 0.82 -0.47 -2.81 0.00 0.00 174.94 173.03 1wqk s TYR 13 N 0.30 2.97 -0.61 3.50 5.04 0.76 -0.38 117.35 128.92 1wqk s TYR 13 Ca -0.06 0.20 -0.23 0.00 -2.44 0.00 0.00 57.07 54.54 1wqk s TYR 13 Cb -0.15 -3.75 0.06 0.00 0.35 0.00 0.00 41.96 38.47 1wqk s TYR 13 CO 0.04 -1.03 0.94 -1.58 -1.34 0.00 0.00 175.55 172.57 1wqk s TRP 14 N 3.43 2.74 -0.57 4.97 0.52 0.11 -4.74 118.94 125.39 1wqk s TRP 14 Ca 0.31 -0.35 -0.26 0.00 0.02 0.00 0.00 56.10 55.82 1wqk s TRP 14 Cb -0.12 -4.16 0.04 0.00 -1.15 0.00 0.00 33.47 28.08 1wqk s TRP 14 CO 0.23 -1.50 1.07 0.12 0.02 0.00 0.00 176.95 176.89 1wqk s PHE 15 N 3.94 2.69 0.00 -1.98 5.36 -1.26 -1.42 117.98 125.32 1wqk s PHE 15 Ca 0.25 0.20 0.00 0.00 -0.96 0.00 0.00 56.93 56.42 1wqk s PHE 15 Cb -0.15 -4.30 0.00 0.00 -0.34 0.00 0.00 43.02 38.22 1wqk s PHE 15 CO 0.14 -1.48 0.00 0.41 -1.46 0.00 0.00 175.22 172.83 1wqk n GLY 16 N 5.09 2.41 3.91 13.12 0.00 -1.23 -5.03 105.19 123.46 1wqk n GLY 16 Ca 0.05 -0.34 -0.27 0.00 0.00 0.00 0.00 46.02 45.46 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 4.63 -0.30 2.61 -1.32 -1.26 -4.93 115.64 115.08 1wqk s THR 17 Ca 0.00 0.19 0.06 0.00 -1.21 0.00 0.00 61.69 60.73 1wqk s THR 17 Cb 0.00 -3.78 0.15 0.00 -1.51 0.00 0.00 72.50 67.36 1wqk s THR 17 CO 0.00 -0.78 1.11 1.17 -2.21 0.00 0.00 174.62 173.91 1wqk n LYS 18 N -2.35 2.79 -3.93 7.08 0.00 -1.26 -3.37 118.16 117.12 1wqk n LYS 18 Ca 0.02 -1.85 -0.12 0.00 0.00 0.00 0.00 58.31 56.36 1wqk n LYS 18 Cb 0.56 -1.18 -0.14 0.00 0.00 0.00 0.00 35.03 34.27 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 -1.29 0.08 -0.24 3.15 -1.32 -1.26 -4.92 115.64 109.84 1wqk s THR 19 Ca 0.12 -0.13 -0.29 0.00 -1.21 0.00 0.00 61.69 60.18 1wqk s THR 19 Cb 0.08 -0.09 0.00 0.00 -1.51 0.00 0.00 72.50 70.98 1wqk s THR 19 CO 0.05 -0.03 1.19 0.00 -2.21 0.00 0.00 174.62 173.62 1wqk s PRO 21 N 3.65 2.69 -0.45 0.00 0.04 -1.26 -4.83 135.00 134.84 1wqk s PRO 21 Ca 0.51 -0.83 -0.06 0.00 0.04 0.00 0.00 61.00 60.66 1wqk s PRO 21 Cb -0.17 -5.19 -0.17 0.00 0.04 0.00 0.00 34.50 29.01 1wqk s PRO 21 CO 0.15 -3.49 3.31 0.45 0.04 0.00 0.00 177.00 177.47 1wqk n SER 22 N 13.45 6.25 -2.01 6.66 2.88 -1.26 -4.13 113.62 135.46 1wqk n SER 22 Ca 0.42 -2.64 -0.06 0.00 -1.33 0.00 0.00 58.87 55.26 1wqk n SER 22 Cb 0.47 -1.42 0.31 0.00 -0.75 0.00 0.00 64.21 62.82 1wqk n SER 22 CO 0.00 0.00 0.00 -0.46 -1.23 0.00 0.00 175.04 173.35 1wqk n ASN 23 N 2.42 4.87 0.00 -3.46 6.94 -1.26 -4.64 115.26 120.13 1wqk n ASN 23 Ca 0.52 -3.19 0.00 0.00 -0.02 0.00 0.00 54.58 51.89 1wqk n ASN 23 Cb 0.70 -0.75 0.00 0.00 -2.36 0.00 0.00 39.78 37.37 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 -0.11 0.00 -0.47 -3.83 1.74 -1.26 -5.07 116.66 107.67 1wqk n ARG 24 Ca 0.40 0.00 -0.01 0.00 -0.77 0.00 0.00 57.85 57.48 1wqk n ARG 24 Cb 1.38 0.00 -0.01 0.00 -1.02 0.00 0.00 32.46 32.81 1wqk n ARG 24 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1wqk n GLY 25 N 2.13 -0.21 3.74 -0.13 0.00 -1.26 -5.14 105.19 104.32 1wqk n GLY 25 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 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 3.36 -0.19 1.61 2.02 -1.26 -4.60 117.35 118.28 1wqk s TYR 26 Ca 0.00 1.39 0.04 0.00 -0.37 0.00 0.00 57.07 58.13 1wqk s TYR 26 Cb 0.00 -3.49 -0.14 0.00 -0.40 0.00 0.00 41.96 37.93 1wqk s TYR 26 CO 0.00 -1.40 -0.14 2.41 -1.57 0.00 0.00 175.55 174.85 1wqk n THR 27 N 2.25 1.13 -4.13 -0.71 -1.04 -0.17 -4.92 114.28 106.68 1wqk n THR 27 Ca 0.04 -0.47 -0.15 0.00 -2.04 0.00 0.00 64.05 61.43 1wqk n THR 27 Cb 0.44 -1.10 -0.06 0.00 -1.82 0.00 0.00 70.33 67.79 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 -5.76 1.54 0.23 3.41 0.00 0.15 -5.01 107.32 101.88 1wqk s GLY 28 Ca -0.24 -1.58 0.01 0.00 0.00 0.00 0.00 44.72 42.91 1wqk s GLY 28 CO 0.49 -1.11 0.15 -1.35 0.00 0.00 0.00 173.10 171.28 1wqk s SER 29 N -3.23 0.51 -0.14 1.64 1.04 -1.26 -1.02 113.70 111.24 1wqk s SER 29 Ca 0.33 -1.45 -0.08 0.00 0.48 0.00 0.00 55.95 55.22 1wqk s SER 29 Cb 0.01 0.39 0.05 0.00 0.10 0.00 0.00 66.02 66.58 1wqk s SER 29 CO 0.19 -0.87 0.35 0.00 0.98 0.00 0.00 173.24 173.90 1wqk s GLY 31 N 1.20 1.63 0.27 0.00 0.00 -1.26 0.05 107.32 109.20 1wqk s GLY 31 Ca -0.08 1.30 0.02 0.00 0.00 0.00 0.00 44.72 45.96 1wqk s GLY 31 CO -0.10 2.63 0.06 -0.47 0.00 0.00 0.00 173.10 175.23 1wqk s TYR 32 N 1.43 1.66 -0.55 1.90 5.04 -0.40 -4.83 117.35 121.60 1wqk s TYR 32 Ca 0.70 -1.06 -0.29 0.00 -2.44 0.00 0.00 57.07 53.98 1wqk s TYR 32 Cb -0.42 -1.01 -0.11 0.00 0.35 0.00 0.00 41.96 40.78 1wqk s TYR 32 CO 0.31 -0.18 2.42 1.19 -1.34 0.00 0.00 175.55 177.95 1wqk n PHE 33 N -0.51 1.32 -2.11 4.97 3.72 -1.26 -1.46 117.46 122.13 1wqk n PHE 33 Ca -0.02 0.18 -0.20 0.00 -0.05 0.00 0.00 57.45 57.37 1wqk n PHE 33 Cb 0.66 -2.57 -0.04 0.00 -0.94 0.00 0.00 39.48 36.59 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 13.27 -1.71 0.00 4.37 4.77 -1.26 -4.87 117.00 131.57 1wqk n LEU 34 Ca 0.43 0.18 -0.00 0.00 -0.03 0.00 0.00 56.01 56.60 1wqk n LEU 34 Cb 0.37 -2.82 0.00 0.00 -2.33 0.00 0.00 43.42 38.64 1wqk n LEU 34 CO 0.76 -0.51 0.01 0.61 -1.33 0.00 0.00 177.39 176.94 1wqk n GLY 35 N -0.77 1.48 2.96 -0.72 0.00 -0.54 -3.50 105.19 104.11 1wqk n GLY 35 Ca -0.22 -0.95 -0.21 0.00 0.00 0.00 0.00 46.02 44.64 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 -2.68 0.73 -0.41 -0.61 2.07 -0.51 -1.27 121.20 118.53 1wqk s ILE 36 Ca 0.00 -0.28 -0.20 0.00 -1.41 0.00 0.00 60.65 58.76 1wqk s ILE 36 Cb -0.00 -0.69 0.02 0.00 0.13 0.00 0.00 42.46 41.92 1wqk s ILE 36 CO 0.00 0.25 0.59 0.00 -1.91 0.00 0.00 174.94 173.87 1wqk s TYR 39 N 1.61 1.83 0.90 0.00 -0.85 -0.18 -0.10 117.35 120.55 1wqk s TYR 39 Ca 0.07 -0.47 -0.11 0.00 -0.52 0.00 0.00 57.07 56.03 1wqk s TYR 39 Cb -0.15 -0.91 0.13 0.00 0.38 0.00 0.00 41.96 41.41 1wqk s TYR 39 CO 0.07 0.34 1.10 -2.14 -1.52 0.00 0.00 175.55 173.40 1wqk s PRO 40 N -2.85 1.21 -0.63 -3.49 0.02 -1.26 -0.67 135.00 127.32 1wqk s PRO 40 Ca 0.16 1.07 -0.26 0.00 0.02 0.00 0.00 61.00 62.00 1wqk s PRO 40 Cb -0.05 -1.78 -0.07 0.00 0.02 0.00 0.00 34.50 32.61 1wqk s PRO 40 CO 0.07 -2.34 2.24 0.54 -0.33 0.00 0.00 177.00 177.18 1wqk s VAL 41 N -2.81 3.13 0.00 3.83 0.11 0.32 -4.63 120.40 120.35 1wqk s VAL 41 Ca 0.64 0.00 0.00 0.00 -2.93 0.00 0.00 61.98 59.69 1wqk s VAL 41 Cb -0.20 -3.32 0.00 0.00 -1.53 0.00 0.00 36.38 31.33 1wqk s VAL 41 CO 0.58 -0.31 0.48 -0.67 -3.33 0.00 0.00 175.10 171.85