#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 3.20 -3.66 2.61 -2.24 -1.26 -4.96 114.28 107.97 1wqk n THR 2 Ca 0.00 -2.06 -0.38 0.00 -2.27 0.00 0.00 64.05 59.34 1wqk n THR 2 Cb 0.00 -0.52 -0.06 0.00 -2.10 0.00 0.00 70.33 67.65 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 -3.42 5.23 0.20 4.28 2.01 -1.26 -0.15 115.64 122.53 1wqk s THR 3 Ca 0.57 0.57 0.06 0.00 0.31 0.00 0.00 61.69 63.20 1wqk s THR 3 Cb 0.48 -3.58 -0.05 0.00 0.01 0.00 0.00 72.50 69.36 1wqk s THR 3 CO 0.09 0.59 -0.11 0.00 -0.69 0.00 0.00 174.62 174.51 1wqk s TYR 5 N -3.14 2.90 -0.88 0.00 2.02 -1.26 0.08 117.35 117.06 1wqk s TYR 5 Ca 0.22 -2.21 -0.22 0.00 -0.37 0.00 0.00 57.07 54.49 1wqk s TYR 5 Cb 0.01 -2.01 0.08 0.00 -0.40 0.00 0.00 41.96 39.65 1wqk s TYR 5 CO 0.05 -0.85 1.21 0.00 -1.57 0.00 0.00 175.55 174.39 1wqk n GLY 7 N 5.89 1.34 0.00 0.00 0.00 -1.26 -1.60 105.19 109.56 1wqk n GLY 7 Ca 0.19 0.27 0.00 0.00 0.00 0.00 0.00 46.02 46.47 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 -0.68 -3.89 1.61 5.02 -1.26 -5.01 118.16 113.95 1wqk n LYS 8 Ca 0.00 -0.41 -0.36 0.00 -2.02 0.00 0.00 58.31 55.52 1wqk n LYS 8 Cb 0.00 -0.89 -0.12 0.00 -0.02 0.00 0.00 35.03 34.00 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 -0.02 4.29 -0.11 -0.18 2.01 -0.63 -5.07 115.64 115.93 1wqk s THR 9 Ca 0.00 -0.19 -0.30 0.00 0.31 0.00 0.00 61.69 61.51 1wqk s THR 9 Cb 0.00 -2.97 -0.02 0.00 0.01 0.00 0.00 72.50 69.51 1wqk s THR 9 CO 0.00 0.38 1.18 -0.51 -0.69 0.00 0.00 174.62 174.99 1wqk s ILE 10 N 1.24 4.36 0.36 1.82 2.07 -1.26 -0.67 121.20 129.12 1wqk s ILE 10 Ca 0.04 1.66 0.04 0.00 -1.41 0.00 0.00 60.65 60.99 1wqk s ILE 10 Cb -0.15 -4.07 -0.06 0.00 0.13 0.00 0.00 42.46 38.32 1wqk s ILE 10 CO 0.03 -0.06 0.06 -0.83 -1.91 0.00 0.00 174.94 172.23 1wqk s GLY 11 N 1.56 2.27 -0.12 1.50 0.00 0.11 -1.02 107.32 111.62 1wqk s GLY 11 Ca 0.54 -1.86 0.00 0.00 0.00 0.00 0.00 44.72 43.40 1wqk s GLY 11 CO 0.18 -1.87 -0.13 -1.50 0.00 0.00 0.00 173.10 169.78 1wqk s ILE 12 N -3.19 3.08 -0.65 0.90 -1.16 0.13 -0.57 121.20 119.72 1wqk s ILE 12 Ca 0.33 -0.66 -0.23 0.00 -0.51 0.00 0.00 60.65 59.57 1wqk s ILE 12 Cb 0.07 -2.28 0.06 0.00 0.61 0.00 0.00 42.46 40.93 1wqk s ILE 12 CO 0.15 0.53 0.98 -0.47 -2.81 0.00 0.00 174.94 173.33 1wqk s TYR 13 N 0.18 2.66 -1.06 3.50 5.04 0.79 -0.96 117.35 127.49 1wqk s TYR 13 Ca -0.07 -0.46 -0.22 0.00 -2.44 0.00 0.00 57.07 53.87 1wqk s TYR 13 Cb -0.15 -4.29 0.05 0.00 0.35 0.00 0.00 41.96 37.92 1wqk s TYR 13 CO 0.05 -1.65 1.51 -1.58 -1.34 0.00 0.00 175.55 172.54 1wqk s TRP 14 N 4.17 2.53 -0.06 4.97 0.52 0.14 -4.88 118.94 126.34 1wqk s TRP 14 Ca 0.24 -0.88 -0.30 0.00 0.02 0.00 0.00 56.10 55.18 1wqk s TRP 14 Cb -0.16 -4.68 -0.05 0.00 -1.15 0.00 0.00 33.47 27.44 1wqk s TRP 14 CO 0.11 -1.91 1.46 0.12 0.02 0.00 0.00 176.95 176.75 1wqk s PHE 15 N 5.13 2.55 0.00 -1.98 5.36 -1.26 -1.53 117.98 126.24 1wqk s PHE 15 Ca 0.48 0.65 0.00 0.00 -0.96 0.00 0.00 56.93 57.10 1wqk s PHE 15 Cb 0.00 -3.71 0.00 0.00 -0.34 0.00 0.00 43.02 38.97 1wqk s PHE 15 CO -0.07 -2.76 0.00 0.41 -1.46 0.00 0.00 175.22 171.34 1wqk n GLY 16 N 3.81 1.18 3.29 13.12 0.00 0.94 -4.95 105.19 122.58 1wqk n GLY 16 Ca 0.15 -0.29 -0.23 0.00 0.00 0.00 0.00 46.02 45.64 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 -0.82 1.72 -0.21 2.61 -1.32 -1.18 -4.89 115.64 111.54 1wqk s THR 17 Ca 0.00 -1.63 0.15 0.00 -1.21 0.00 0.00 61.69 59.00 1wqk s THR 17 Cb 0.00 -1.61 0.56 0.00 -1.51 0.00 0.00 72.50 69.94 1wqk s THR 17 CO 0.00 -0.13 1.48 1.17 -2.21 0.00 0.00 174.62 174.94 1wqk n LYS 18 N 0.90 2.94 -4.41 7.08 3.00 -1.26 -1.63 118.16 124.79 1wqk n LYS 18 Ca -0.18 -2.93 -0.33 0.00 -0.00 0.00 0.00 58.31 54.87 1wqk n LYS 18 Cb 0.54 -1.90 -0.16 0.00 0.00 0.00 0.00 35.03 33.51 1wqk n LYS 18 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.40 178.39 1wqk s THR 19 N -2.91 2.15 -0.16 3.15 2.01 -1.26 -4.93 115.64 113.70 1wqk s THR 19 Ca 0.44 -0.93 -0.29 0.00 0.31 0.00 0.00 61.69 61.22 1wqk s THR 19 Cb 0.36 -1.88 -0.02 0.00 0.01 0.00 0.00 72.50 70.97 1wqk s THR 19 CO 0.08 0.54 1.40 0.00 -0.69 0.00 0.00 174.62 175.96 1wqk n PRO 21 N 6.93 3.08 -1.01 0.00 -0.04 -1.26 -4.87 135.00 137.84 1wqk n PRO 21 Ca 0.15 -3.04 -0.19 0.00 -0.04 0.00 0.00 63.50 60.38 1wqk n PRO 21 Cb 0.44 -3.39 -0.12 0.00 -0.04 0.00 0.00 33.50 30.40 1wqk n PRO 21 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 1wqk n SER 22 N 7.29 5.82 -0.43 3.54 7.64 -1.26 -4.07 113.62 132.15 1wqk n SER 22 Ca 0.49 -2.44 0.13 0.00 1.01 0.00 0.00 58.87 58.07 1wqk n SER 22 Cb 0.43 -1.35 0.53 0.00 -1.01 0.00 0.00 64.21 62.81 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 2.90 1.31 0.00 6.43 3.02 -1.26 -4.35 115.26 123.31 1wqk n ASN 23 Ca 0.50 -1.50 0.00 0.00 -0.03 0.00 0.00 54.58 53.55 1wqk n ASN 23 Cb 0.65 -0.03 0.00 0.00 -0.61 0.00 0.00 39.78 39.79 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 0.04 0.00 0.00 3.52 3.00 -1.26 -5.05 116.66 116.92 1wqk n ARG 24 Ca 0.19 0.05 0.00 0.00 -0.01 0.00 0.00 57.85 58.07 1wqk n ARG 24 Cb 0.31 -0.40 0.00 0.00 0.00 0.00 0.00 32.46 32.37 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 1.89 0.00 3.68 -0.13 0.00 -1.26 -4.99 105.19 104.39 1wqk n GLY 25 Ca 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.59 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 0.00 2.17 -0.07 1.61 4.01 -1.26 -4.76 117.16 118.86 1wqk n TYR 26 Ca 0.00 0.53 -0.14 0.00 -0.16 0.00 0.00 57.90 58.14 1wqk n TYR 26 Cb 0.00 -2.41 -0.06 0.00 -0.31 0.00 0.00 39.34 36.56 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 0.73 0.82 -4.51 -0.72 -1.04 -0.09 -4.92 114.28 104.55 1wqk n THR 27 Ca 0.07 -0.25 -0.26 0.00 -2.04 0.00 0.00 64.05 61.57 1wqk n THR 27 Cb 0.35 -1.42 -0.07 0.00 -1.82 0.00 0.00 70.33 67.36 1wqk n THR 27 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1wqk n GLY 28 N 2.36 3.25 3.55 3.41 0.00 0.76 -5.01 105.19 113.52 1wqk n GLY 28 Ca -0.28 -2.13 -0.10 0.00 0.00 0.00 0.00 46.02 43.52 1wqk n GLY 28 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1wqk s SER 29 N -3.51 -0.35 -0.07 1.61 0.15 -1.26 -0.53 113.70 109.74 1wqk s SER 29 Ca 0.20 -0.37 0.00 0.00 0.70 0.00 0.00 55.95 56.48 1wqk s SER 29 Cb 0.01 0.61 0.02 0.00 -1.71 0.00 0.00 66.02 64.96 1wqk s SER 29 CO 0.14 -1.08 -0.05 0.00 1.20 0.00 0.00 173.24 173.45 1wqk s GLY 31 N 1.34 1.71 0.31 0.00 0.00 -1.26 -0.18 107.32 109.24 1wqk s GLY 31 Ca -0.04 1.15 0.08 0.00 0.00 0.00 0.00 44.72 45.91 1wqk s GLY 31 CO -0.03 2.64 -0.07 -0.19 0.00 0.00 0.00 173.10 175.45 1wqk s TYR 32 N 1.95 2.17 0.20 1.90 1.51 -0.06 -4.90 117.35 120.12 1wqk s TYR 32 Ca 0.69 -0.62 -0.20 0.00 -1.01 0.00 0.00 57.07 55.93 1wqk s TYR 32 Cb -0.38 -1.25 0.15 0.00 -0.11 0.00 0.00 41.96 40.36 1wqk s TYR 32 CO 0.30 0.41 1.49 0.34 -1.11 0.00 0.00 175.55 176.98 1wqk n PHE 33 N -0.69 -0.10 -2.61 2.71 7.35 -1.26 -1.73 117.46 121.13 1wqk n PHE 33 Ca -0.05 1.19 -0.11 0.00 -0.76 0.00 0.00 57.45 57.72 1wqk n PHE 33 Cb 0.64 -0.78 0.03 0.00 0.35 0.00 0.00 39.48 39.72 1wqk n PHE 33 CO 0.00 0.00 0.00 1.28 -0.76 0.00 0.00 176.76 177.28 1wqk n LEU 34 N -5.36 2.44 0.00 -2.13 4.32 -1.26 -5.09 117.00 109.93 1wqk n LEU 34 Ca 0.08 -3.87 0.00 0.00 -0.02 0.00 0.00 56.01 52.19 1wqk n LEU 34 Cb 0.35 0.21 0.00 0.00 -1.62 0.00 0.00 43.42 42.35 1wqk n LEU 34 CO -0.14 1.58 0.00 0.61 -1.22 0.00 0.00 177.39 178.22 1wqk n GLY 35 N -0.37 -0.88 2.91 -0.72 0.00 -0.71 -0.04 105.19 105.37 1wqk n GLY 35 Ca 0.18 -0.72 -0.20 0.00 0.00 0.00 0.00 46.02 45.27 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 -3.00 0.59 -0.80 -0.61 2.07 -0.58 -0.88 121.20 117.99 1wqk s ILE 36 Ca 0.00 -0.16 -0.16 0.00 -1.41 0.00 0.00 60.65 58.92 1wqk s ILE 36 Cb 0.00 -0.60 0.17 0.00 0.13 0.00 0.00 42.46 42.16 1wqk s ILE 36 CO 0.00 0.23 0.85 0.00 -1.91 0.00 0.00 174.94 174.11 1wqk s TYR 39 N 1.80 1.62 0.80 0.00 -0.85 0.31 -0.70 117.35 120.33 1wqk s TYR 39 Ca 0.32 -0.49 -0.10 0.00 -0.52 0.00 0.00 57.07 56.28 1wqk s TYR 39 Cb -0.16 -0.85 0.10 0.00 0.38 0.00 0.00 41.96 41.43 1wqk s TYR 39 CO 0.12 0.22 1.13 -1.25 -1.52 0.00 0.00 175.55 174.25 1wqk s PRO 40 N -2.48 1.76 0.00 -3.49 0.05 -1.26 -0.17 135.00 129.41 1wqk s PRO 40 Ca 0.10 -0.21 -0.04 0.00 0.05 0.00 0.00 61.00 60.90 1wqk s PRO 40 Cb -0.07 -2.04 -0.16 0.00 0.05 0.00 0.00 34.50 32.29 1wqk s PRO 40 CO 0.05 -1.62 2.73 0.28 0.05 0.00 0.00 177.00 178.48 1wqk n VAL 41 N -3.23 2.30 -1.33 -0.36 0.31 -0.19 -4.46 118.33 111.38 1wqk n VAL 41 Ca 0.10 -1.02 0.00 0.00 -0.01 0.00 0.00 64.34 63.41 1wqk n VAL 41 Cb 0.60 -1.77 0.00 0.00 -0.91 0.00 0.00 33.84 31.76 1wqk n VAL 41 CO 0.00 0.00 0.00 0.47 -1.32 0.00 0.00 176.83 175.98