#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 4.27 -3.77 2.61 -2.24 -1.26 -4.84 114.28 109.05 1wqk n THR 2 Ca 0.00 -3.51 -0.13 0.00 -2.27 0.00 0.00 64.05 58.15 1wqk n THR 2 Cb 0.00 -2.44 -0.12 0.00 -2.10 0.00 0.00 70.33 65.67 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 1.33 -0.01 0.20 4.28 2.01 -1.26 -0.71 115.64 121.47 1wqk s THR 3 Ca 0.53 0.05 0.06 0.00 0.31 0.00 0.00 61.69 62.64 1wqk s THR 3 Cb 0.15 -0.35 -0.05 0.00 0.01 0.00 0.00 72.50 72.27 1wqk s THR 3 CO -0.06 0.02 -0.09 0.00 -0.69 0.00 0.00 174.62 173.80 1wqk s TYR 5 N -3.20 3.47 -0.53 0.00 1.51 -1.26 -0.20 117.35 117.14 1wqk s TYR 5 Ca 0.22 -2.55 -0.28 0.00 -1.01 0.00 0.00 57.07 53.45 1wqk s TYR 5 Cb 0.02 -3.26 0.03 0.00 -0.11 0.00 0.00 41.96 38.65 1wqk s TYR 5 CO 0.05 -0.89 1.14 0.00 -1.11 0.00 0.00 175.55 174.74 1wqk n GLY 7 N 4.98 1.13 0.52 0.00 0.00 -1.26 -1.30 105.19 109.27 1wqk n GLY 7 Ca 0.09 0.30 0.05 0.00 0.00 0.00 0.00 46.02 46.46 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 0.70 -4.72 1.61 2.85 -1.26 -5.03 118.16 112.30 1wqk n LYS 8 Ca 0.00 -2.07 -0.29 0.00 -1.05 0.00 0.00 58.31 54.90 1wqk n LYS 8 Cb 0.00 -0.95 -0.17 0.00 -0.65 0.00 0.00 35.03 33.27 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 -1.52 1.61 -0.16 0.58 2.01 -0.42 -5.11 115.64 112.65 1wqk s THR 9 Ca 0.23 -0.74 -0.26 0.00 0.31 0.00 0.00 61.69 61.23 1wqk s THR 9 Cb 0.22 -1.44 -0.02 0.00 0.01 0.00 0.00 72.50 71.27 1wqk s THR 9 CO -0.03 0.46 0.85 -0.51 -0.69 0.00 0.00 174.62 174.70 1wqk s ILE 10 N 0.71 4.88 0.17 1.82 2.07 -1.26 -0.30 121.20 129.30 1wqk s ILE 10 Ca -0.12 1.67 0.05 0.00 -1.41 0.00 0.00 60.65 60.84 1wqk s ILE 10 Cb -0.16 -4.15 -0.05 0.00 0.13 0.00 0.00 42.46 38.23 1wqk s ILE 10 CO 0.03 0.04 -0.09 -0.83 -1.91 0.00 0.00 174.94 172.18 1wqk s GLY 11 N 1.13 1.23 -0.14 1.50 0.00 0.72 -1.40 107.32 110.36 1wqk s GLY 11 Ca 0.39 -1.58 -0.13 0.00 0.00 0.00 0.00 44.72 43.40 1wqk s GLY 11 CO 0.13 -1.64 0.29 -1.50 0.00 0.00 0.00 173.10 170.38 1wqk s ILE 12 N -3.29 5.30 -0.53 0.90 -1.16 0.00 -0.57 121.20 121.85 1wqk s ILE 12 Ca 0.20 0.54 -0.24 0.00 -0.51 0.00 0.00 60.65 60.64 1wqk s ILE 12 Cb 0.03 -3.62 0.04 0.00 0.61 0.00 0.00 42.46 39.52 1wqk s ILE 12 CO 0.03 0.43 0.90 -0.47 -2.81 0.00 0.00 174.94 173.03 1wqk s TYR 13 N 0.17 2.84 -0.52 3.50 5.04 0.11 -0.68 117.35 127.81 1wqk s TYR 13 Ca 0.17 0.01 -0.26 0.00 -2.44 0.00 0.00 57.07 54.55 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 0.05 -1.27 0.99 -1.58 -1.34 0.00 0.00 175.55 172.39 1wqk s TRP 14 N 3.78 2.81 -0.27 4.97 0.52 0.66 -4.77 118.94 126.64 1wqk s TRP 14 Ca 0.30 0.25 -0.20 0.00 0.02 0.00 0.00 56.10 56.47 1wqk s TRP 14 Cb -0.13 -4.12 -0.02 0.00 -1.15 0.00 0.00 33.47 28.05 1wqk s TRP 14 CO 0.20 -1.29 0.61 0.12 0.02 0.00 0.00 176.95 176.61 1wqk s PHE 15 N 4.06 3.26 0.00 -1.98 5.36 -1.26 -1.22 117.98 126.20 1wqk s PHE 15 Ca 0.36 0.72 0.00 0.00 -0.96 0.00 0.00 56.93 57.05 1wqk s PHE 15 Cb -0.10 -2.85 0.00 0.00 -0.34 0.00 0.00 43.02 39.72 1wqk s PHE 15 CO 0.24 -0.35 0.00 0.41 -1.46 0.00 0.00 175.22 174.05 1wqk n GLY 16 N 4.27 2.85 3.77 13.12 0.00 -0.98 -5.02 105.19 123.20 1wqk n GLY 16 Ca -0.01 -0.82 -0.38 0.00 0.00 0.00 0.00 46.02 44.80 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 5.08 -0.25 2.61 -1.32 -1.26 -4.88 115.64 115.62 1wqk s THR 17 Ca 0.00 0.96 0.13 0.00 -1.21 0.00 0.00 61.69 61.57 1wqk s THR 17 Cb 0.00 -3.80 0.58 0.00 -1.51 0.00 0.00 72.50 67.78 1wqk s THR 17 CO 0.00 0.43 1.54 2.29 -2.21 0.00 0.00 174.62 176.67 1wqk n LYS 18 N 2.87 2.85 -4.92 7.08 2.85 -1.26 -3.44 118.16 124.19 1wqk n LYS 18 Ca -0.09 -3.00 -0.28 0.00 -1.05 0.00 0.00 58.31 53.88 1wqk n LYS 18 Cb 0.52 -1.94 -0.17 0.00 -0.65 0.00 0.00 35.03 32.79 1wqk n LYS 18 CO 0.00 0.00 0.00 0.95 -0.05 0.00 0.00 177.40 178.30 1wqk s THR 19 N -2.99 1.62 -0.09 0.58 -4.23 -1.26 -4.87 115.64 104.40 1wqk s THR 19 Ca 0.46 -0.77 -0.30 0.00 -1.18 0.00 0.00 61.69 59.91 1wqk s THR 19 Cb 0.39 -1.43 -0.02 0.00 1.34 0.00 0.00 72.50 72.78 1wqk s THR 19 CO 0.08 0.46 1.06 0.00 -0.54 0.00 0.00 174.62 175.68 1wqk s PRO 21 N 2.09 3.34 -1.50 0.00 0.02 -1.26 -4.89 135.00 132.80 1wqk s PRO 21 Ca 0.50 1.62 -0.13 0.00 0.02 0.00 0.00 61.00 63.01 1wqk s PRO 21 Cb -0.20 -4.23 -0.02 0.00 0.02 0.00 0.00 34.50 30.08 1wqk s PRO 21 CO 0.19 -1.85 2.50 0.45 -0.33 0.00 0.00 177.00 177.95 1wqk n SER 22 N 10.42 5.70 -0.71 2.53 2.88 -1.26 -3.68 113.62 129.50 1wqk n SER 22 Ca 0.24 -2.73 -0.02 0.00 -1.33 0.00 0.00 58.87 55.03 1wqk n SER 22 Cb 0.46 -1.60 -0.02 0.00 -0.75 0.00 0.00 64.21 62.30 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 5.16 -0.29 0.00 -3.46 6.94 -1.26 -4.98 115.26 117.37 1wqk n ASN 23 Ca 0.62 -1.45 0.00 0.00 -0.02 0.00 0.00 54.58 53.73 1wqk n ASN 23 Cb 0.33 0.07 0.00 0.00 -2.36 0.00 0.00 39.78 37.82 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 0.02 0.00 0.00 -3.83 5.12 -1.24 -5.05 116.66 111.68 1wqk n ARG 24 Ca -0.09 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.83 1wqk n ARG 24 Cb 0.61 -0.25 0.00 0.00 -1.16 0.00 0.00 32.46 31.66 1wqk n ARG 24 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1wqk n GLY 25 N 2.24 -0.50 3.66 -0.13 0.00 -1.26 -4.83 105.19 104.37 1wqk n GLY 25 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 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 -0.40 2.34 -0.02 1.61 2.02 -1.26 -4.37 117.35 117.27 1wqk s TYR 26 Ca 0.00 0.50 0.04 0.00 -0.37 0.00 0.00 57.07 57.24 1wqk s TYR 26 Cb 0.00 -3.77 -0.07 0.00 -0.40 0.00 0.00 41.96 37.72 1wqk s TYR 26 CO 0.00 -3.09 0.07 2.41 -1.57 0.00 0.00 175.55 173.37 1wqk n THR 27 N 5.32 0.13 -4.25 -0.71 -1.04 -0.15 -4.92 114.28 108.65 1wqk n THR 27 Ca 0.16 -0.14 -0.15 0.00 -2.04 0.00 0.00 64.05 61.87 1wqk n THR 27 Cb 0.43 -0.14 -0.10 0.00 -1.82 0.00 0.00 70.33 68.70 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 -2.96 1.09 -0.01 3.41 0.00 0.38 -5.02 107.32 104.22 1wqk s GLY 28 Ca -0.02 -1.44 0.03 0.00 0.00 0.00 0.00 44.72 43.29 1wqk s GLY 28 CO 0.19 -1.53 -0.10 -0.56 0.00 0.00 0.00 173.10 171.09 1wqk s SER 29 N -2.98 1.22 -0.48 1.64 0.01 -1.26 -0.27 113.70 111.59 1wqk s SER 29 Ca 0.15 -0.19 -0.00 0.00 1.31 0.00 0.00 55.95 57.22 1wqk s SER 29 Cb 0.00 -0.16 0.13 0.00 0.21 0.00 0.00 66.02 66.19 1wqk s SER 29 CO 0.02 0.12 0.25 0.00 0.41 0.00 0.00 173.24 174.04 1wqk n GLY 31 N 3.91 0.79 3.35 0.00 0.00 -1.26 -0.41 105.19 111.57 1wqk n GLY 31 Ca 0.03 0.63 -0.18 0.00 0.00 0.00 0.00 46.02 46.51 1wqk n GLY 31 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1wqk s TYR 32 N 0.53 1.63 -0.18 1.61 5.04 -0.51 -4.80 117.35 120.68 1wqk s TYR 32 Ca 0.78 -1.08 -0.29 0.00 -2.44 0.00 0.00 57.07 54.04 1wqk s TYR 32 Cb -0.77 -0.99 -0.06 0.00 0.35 0.00 0.00 41.96 40.50 1wqk s TYR 32 CO 0.43 -0.20 2.18 1.19 -1.34 0.00 0.00 175.55 177.81 1wqk n PHE 33 N -0.50 2.05 -1.83 4.97 3.72 -1.26 -1.69 117.46 122.92 1wqk n PHE 33 Ca -0.02 -0.16 -0.16 0.00 -0.05 0.00 0.00 57.45 57.06 1wqk n PHE 33 Cb 0.66 -2.74 -0.04 0.00 -0.94 0.00 0.00 39.48 36.42 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 10.92 -1.41 0.00 4.37 4.77 -1.26 -4.86 117.00 129.52 1wqk n LEU 34 Ca 0.28 0.21 0.00 0.00 -0.03 0.00 0.00 56.01 56.48 1wqk n LEU 34 Cb 0.43 -2.33 0.00 0.00 -2.33 0.00 0.00 43.42 39.20 1wqk n LEU 34 CO 0.67 -0.54 0.00 0.61 -1.33 0.00 0.00 177.39 176.80 1wqk n GLY 35 N -1.02 0.96 2.93 -0.72 0.00 -0.68 -2.31 105.19 104.35 1wqk n GLY 35 Ca -0.17 -0.60 -0.14 0.00 0.00 0.00 0.00 46.02 45.10 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 -2.08 -0.16 -0.77 -0.61 2.07 -0.36 -1.42 121.20 117.87 1wqk s ILE 36 Ca 0.00 0.24 -0.19 0.00 -1.41 0.00 0.00 60.65 59.30 1wqk s ILE 36 Cb 0.00 -0.31 0.13 0.00 0.13 0.00 0.00 42.46 42.41 1wqk s ILE 36 CO 0.00 0.10 0.92 0.00 -1.91 0.00 0.00 174.94 174.05 1wqk s TYR 39 N -0.51 1.11 0.48 0.00 -0.85 0.63 -0.82 117.35 117.40 1wqk s TYR 39 Ca 0.23 -0.89 -0.14 0.00 -0.52 0.00 0.00 57.07 55.76 1wqk s TYR 39 Cb -0.16 -0.61 -0.07 0.00 0.38 0.00 0.00 41.96 41.50 1wqk s TYR 39 CO 0.11 -0.08 0.91 -1.25 -1.52 0.00 0.00 175.55 173.72 1wqk s PRO 40 N -3.82 3.86 -1.37 -3.49 0.05 -1.26 -0.47 135.00 128.50 1wqk s PRO 40 Ca 0.17 0.76 -0.10 0.00 0.05 0.00 0.00 61.00 61.88 1wqk s PRO 40 Cb 0.05 -2.23 -0.07 0.00 0.05 0.00 0.00 34.50 32.30 1wqk s PRO 40 CO -0.01 -0.20 2.61 1.55 0.05 0.00 0.00 177.00 181.00 1wqk n VAL 41 N -1.55 3.60 1.50 -0.36 3.14 -0.49 -4.32 118.33 119.85 1wqk n VAL 41 Ca 0.05 -2.25 0.12 0.00 -2.96 0.00 0.00 64.34 59.30 1wqk n VAL 41 Cb 0.54 -2.46 0.71 0.00 -1.06 0.00 0.00 33.84 31.57 1wqk n VAL 41 CO 0.00 0.00 0.00 -0.67 -6.46 0.00 0.00 176.83 169.70