#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 3.24 -2.21 2.61 -2.24 -1.26 -4.95 114.28 109.47 1wqk n THR 2 Ca 0.00 -2.78 -0.42 0.00 -2.27 0.00 0.00 64.05 58.58 1wqk n THR 2 Cb 0.00 -1.54 -0.03 0.00 -2.10 0.00 0.00 70.33 66.66 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 -2.31 3.34 0.06 4.28 2.01 -1.26 -0.82 115.64 120.95 1wqk s THR 3 Ca 0.55 1.00 0.02 0.00 0.31 0.00 0.00 61.69 63.57 1wqk s THR 3 Cb 0.36 -3.64 -0.03 0.00 0.01 0.00 0.00 72.50 69.20 1wqk s THR 3 CO -0.18 0.10 -0.08 0.00 -0.69 0.00 0.00 174.62 173.76 1wqk s TYR 5 N -2.09 0.51 -0.88 0.00 1.51 -1.26 0.00 117.35 115.14 1wqk s TYR 5 Ca -0.02 -0.08 -0.11 0.00 -1.01 0.00 0.00 57.07 55.85 1wqk s TYR 5 Cb -0.05 -0.61 0.23 0.00 -0.11 0.00 0.00 41.96 41.41 1wqk s TYR 5 CO -0.01 -0.22 0.82 0.00 -1.11 0.00 0.00 175.55 175.03 1wqk n GLY 7 N 3.47 1.41 0.00 0.00 0.00 -1.26 -1.58 105.19 107.23 1wqk n GLY 7 Ca 0.16 0.16 0.08 0.00 0.00 0.00 0.00 46.02 46.42 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 1.40 -3.38 1.61 2.85 -1.26 -4.93 118.16 114.46 1wqk n LYS 8 Ca 0.00 -0.02 -0.40 0.00 -1.05 0.00 0.00 58.31 56.84 1wqk n LYS 8 Cb 0.00 -1.30 -0.09 0.00 -0.65 0.00 0.00 35.03 32.99 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 -2.64 5.15 0.01 0.58 2.01 -0.62 -5.04 115.64 115.09 1wqk s THR 9 Ca 0.05 0.39 -0.30 0.00 0.31 0.00 0.00 61.69 62.13 1wqk s THR 9 Cb 0.12 -3.76 -0.03 0.00 0.01 0.00 0.00 72.50 68.83 1wqk s THR 9 CO 0.68 0.04 0.99 -0.51 -0.69 0.00 0.00 174.62 175.13 1wqk s ILE 10 N 2.09 4.79 0.13 1.82 2.07 -1.26 -0.12 121.20 130.72 1wqk s ILE 10 Ca 0.14 2.03 0.02 0.00 -1.41 0.00 0.00 60.65 61.44 1wqk s ILE 10 Cb -0.16 -4.30 -0.01 0.00 0.13 0.00 0.00 42.46 38.12 1wqk s ILE 10 CO 0.11 0.17 0.09 0.61 -1.91 0.00 0.00 174.94 174.01 1wqk n GLY 11 N 2.85 3.68 3.22 1.50 0.00 0.10 -1.20 105.19 115.35 1wqk n GLY 11 Ca 0.06 -1.82 -0.29 0.00 0.00 0.00 0.00 46.02 43.97 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 -2.36 1.78 -0.55 -0.61 -1.16 0.24 -1.06 121.20 117.48 1wqk s ILE 12 Ca 0.12 -0.92 -0.24 0.00 -0.51 0.00 0.00 60.65 59.10 1wqk s ILE 12 Cb 0.01 -1.51 0.04 0.00 0.61 0.00 0.00 42.46 41.61 1wqk s ILE 12 CO 0.09 0.50 0.94 -0.47 -2.81 0.00 0.00 174.94 173.19 1wqk s TYR 13 N -0.15 2.80 -0.60 3.50 5.04 0.00 -1.06 117.35 126.87 1wqk s TYR 13 Ca -0.02 -0.00 -0.26 0.00 -2.44 0.00 0.00 57.07 54.35 1wqk s TYR 13 Cb -0.12 -4.07 0.04 0.00 0.35 0.00 0.00 41.96 38.16 1wqk s TYR 13 CO 0.02 -1.34 1.08 -1.58 -1.34 0.00 0.00 175.55 172.39 1wqk s TRP 14 N 3.94 2.64 -0.54 4.97 0.52 0.10 -4.82 118.94 125.75 1wqk s TRP 14 Ca 0.31 0.08 -0.19 0.00 0.02 0.00 0.00 56.10 56.31 1wqk s TRP 14 Cb -0.12 -4.33 0.07 0.00 -1.15 0.00 0.00 33.47 27.94 1wqk s TRP 14 CO 0.19 -1.57 0.66 0.12 0.02 0.00 0.00 176.95 176.37 1wqk s PHE 15 N 4.57 3.03 0.00 -1.98 5.36 -1.26 -1.43 117.98 126.27 1wqk s PHE 15 Ca 0.35 -0.68 0.00 0.00 -0.96 0.00 0.00 56.93 55.64 1wqk s PHE 15 Cb -0.11 -3.71 0.00 0.00 -0.34 0.00 0.00 43.02 38.87 1wqk s PHE 15 CO 0.20 -1.13 0.00 0.41 -1.46 0.00 0.00 175.22 173.24 1wqk n GLY 16 N 5.21 0.45 3.09 13.12 0.00 -1.18 -5.03 105.19 120.85 1wqk n GLY 16 Ca -0.07 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.85 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 -0.67 0.11 -0.58 2.61 -1.32 -1.25 -5.03 115.64 109.52 1wqk s THR 17 Ca 0.00 -0.93 0.11 0.00 -1.21 0.00 0.00 61.69 59.65 1wqk s THR 17 Cb 0.00 -0.65 0.30 0.00 -1.51 0.00 0.00 72.50 70.64 1wqk s THR 17 CO 0.00 -0.51 1.24 0.29 -2.21 0.00 0.00 174.62 173.43 1wqk n LYS 18 N 1.12 2.83 -4.16 7.08 5.02 -1.26 -2.04 118.16 126.74 1wqk n LYS 18 Ca -0.21 -2.15 -0.16 0.00 -2.02 0.00 0.00 58.31 53.78 1wqk n LYS 18 Cb 0.57 -1.35 -0.13 0.00 -0.02 0.00 0.00 35.03 34.10 1wqk n LYS 18 CO 0.00 0.00 0.00 0.95 -0.52 0.00 0.00 177.40 177.83 1wqk s THR 19 N -1.47 0.67 -0.31 -0.18 -4.23 -1.26 -4.83 115.64 104.03 1wqk s THR 19 Ca 0.24 -0.84 -0.29 0.00 -1.18 0.00 0.00 61.69 59.61 1wqk s THR 19 Cb 0.15 -0.65 0.01 0.00 1.34 0.00 0.00 72.50 73.35 1wqk s THR 19 CO 0.11 -0.15 1.09 0.00 -0.54 0.00 0.00 174.62 175.13 1wqk s PRO 21 N 3.67 4.20 -0.42 0.00 0.04 -1.26 -4.94 135.00 136.29 1wqk s PRO 21 Ca 0.46 2.33 -0.29 0.00 0.04 0.00 0.00 61.00 63.55 1wqk s PRO 21 Cb -0.13 -3.49 0.01 0.00 0.04 0.00 0.00 34.50 30.94 1wqk s PRO 21 CO 0.15 -0.70 1.35 -1.12 0.04 0.00 0.00 177.00 176.72 1wqk s SER 22 N 2.09 6.42 0.00 6.66 0.01 -1.26 -4.43 113.70 123.19 1wqk s SER 22 Ca 0.73 0.78 0.00 0.00 1.31 0.00 0.00 55.95 58.76 1wqk s SER 22 Cb -0.41 -2.54 0.00 0.00 0.21 0.00 0.00 66.02 63.28 1wqk s SER 22 CO 0.32 -1.38 0.00 -0.46 0.41 0.00 0.00 173.24 172.13 1wqk n ASN 23 N 8.55 0.00 0.00 2.44 2.04 -1.26 -5.06 115.26 121.97 1wqk n ASN 23 Ca 0.15 0.00 0.00 0.00 -0.44 0.00 0.00 54.58 54.29 1wqk n ASN 23 Cb 0.48 0.00 0.00 0.00 -2.53 0.00 0.00 39.78 37.73 1wqk n ASN 23 CO 0.00 0.00 0.00 0.54 -0.44 0.00 0.00 177.26 177.36 1wqk n ARG 24 N -0.00 0.00 0.00 -3.83 1.74 -1.26 -5.08 116.66 108.23 1wqk n ARG 24 Ca 0.00 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.08 1wqk n ARG 24 Cb 0.00 -0.03 0.00 0.00 -1.02 0.00 0.00 32.46 31.41 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 3.27 0.00 3.72 -0.13 0.00 -1.26 -5.08 105.19 105.72 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 0.00 3.04 -0.25 1.61 2.02 -1.26 -4.69 117.35 117.82 1wqk s TYR 26 Ca 0.00 0.65 0.01 0.00 -0.37 0.00 0.00 57.07 57.36 1wqk s TYR 26 Cb 0.00 -3.93 -0.16 0.00 -0.40 0.00 0.00 41.96 37.47 1wqk s TYR 26 CO 0.00 -3.41 -0.22 2.41 -1.57 0.00 0.00 175.55 172.76 1wqk n THR 27 N 3.78 1.40 -4.53 -0.71 -1.04 0.10 -4.94 114.28 108.35 1wqk n THR 27 Ca 0.13 -0.53 -0.24 0.00 -2.04 0.00 0.00 64.05 61.37 1wqk n THR 27 Cb 0.38 -1.38 -0.11 0.00 -1.82 0.00 0.00 70.33 67.40 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 -6.34 2.27 -0.20 3.41 0.00 0.41 -5.01 107.32 101.87 1wqk s GLY 28 Ca -0.33 -2.17 -0.13 0.00 0.00 0.00 0.00 44.72 42.08 1wqk s GLY 28 CO 0.56 -1.94 0.50 -1.35 0.00 0.00 0.00 173.10 170.86 1wqk s SER 29 N -3.59 -0.61 -0.20 1.64 1.04 -1.26 -1.24 113.70 109.49 1wqk s SER 29 Ca 0.36 1.06 -0.02 0.00 0.48 0.00 0.00 55.95 57.83 1wqk s SER 29 Cb 0.09 0.98 0.00 0.00 0.10 0.00 0.00 66.02 67.20 1wqk s SER 29 CO 0.17 -0.20 -0.11 0.00 0.98 0.00 0.00 173.24 174.08 1wqk s GLY 31 N 1.31 1.86 0.23 0.00 0.00 -1.26 0.14 107.32 109.60 1wqk s GLY 31 Ca 0.04 1.54 0.04 0.00 0.00 0.00 0.00 44.72 46.34 1wqk s GLY 31 CO -0.06 2.61 -0.03 -0.47 0.00 0.00 0.00 173.10 175.15 1wqk s TYR 32 N 0.39 1.60 0.16 1.90 6.14 -0.07 -4.83 117.35 122.64 1wqk s TYR 32 Ca 0.66 -0.84 -0.29 0.00 0.64 0.00 0.00 57.07 57.24 1wqk s TYR 32 Cb -0.47 -0.91 -0.05 0.00 0.42 0.00 0.00 41.96 40.95 1wqk s TYR 32 CO 0.42 0.06 1.49 1.19 0.64 0.00 0.00 175.55 179.35 1wqk n PHE 33 N -0.42 -0.40 -1.67 4.97 3.72 -1.26 -1.76 117.46 120.63 1wqk n PHE 33 Ca -0.06 1.21 0.06 0.00 -0.05 0.00 0.00 57.45 58.61 1wqk n PHE 33 Cb 0.63 -0.59 0.17 0.00 -0.94 0.00 0.00 39.48 38.75 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 -5.22 2.35 0.00 4.37 7.99 -1.26 -5.07 117.00 120.16 1wqk n LEU 34 Ca 0.02 -3.46 0.00 0.00 -0.01 0.00 0.00 56.01 52.56 1wqk n LEU 34 Cb 0.26 -0.43 0.00 0.00 -0.11 0.00 0.00 43.42 43.14 1wqk n LEU 34 CO -0.15 1.16 0.00 0.61 -1.51 0.00 0.00 177.39 177.50 1wqk n GLY 35 N -0.90 1.17 2.84 -0.72 0.00 -0.73 -3.13 105.19 103.72 1wqk n GLY 35 Ca 0.16 -0.32 -0.14 0.00 0.00 0.00 0.00 46.02 45.73 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 -1.14 0.05 -0.57 -0.61 2.07 -0.51 -0.89 121.20 119.59 1wqk s ILE 36 Ca 0.00 0.05 -0.19 0.00 -1.41 0.00 0.00 60.65 59.10 1wqk s ILE 36 Cb 0.00 -0.10 0.09 0.00 0.13 0.00 0.00 42.46 42.58 1wqk s ILE 36 CO 0.00 0.06 0.70 0.00 -1.91 0.00 0.00 174.94 173.78 1wqk s TYR 39 N 0.63 1.35 0.80 0.00 -0.85 -0.37 -0.59 117.35 118.33 1wqk s TYR 39 Ca 0.18 -0.64 -0.11 0.00 -0.52 0.00 0.00 57.07 55.97 1wqk s TYR 39 Cb -0.13 -0.69 0.10 0.00 0.38 0.00 0.00 41.96 41.61 1wqk s TYR 39 CO 0.05 0.13 1.15 -2.14 -1.52 0.00 0.00 175.55 173.23 1wqk s PRO 40 N -3.21 1.79 -0.65 -3.49 0.02 -1.26 -0.44 135.00 127.76 1wqk s PRO 40 Ca 0.13 -0.12 -0.26 0.00 0.02 0.00 0.00 61.00 60.77 1wqk s PRO 40 Cb -0.01 -2.01 -0.08 0.00 0.02 0.00 0.00 34.50 32.42 1wqk s PRO 40 CO 0.02 -1.64 2.26 0.08 -0.33 0.00 0.00 177.00 177.40 1wqk s VAL 41 N -3.53 3.12 -2.87 3.83 1.01 -0.34 -4.71 120.40 116.91 1wqk s VAL 41 Ca 0.64 -0.01 0.25 0.00 0.00 0.00 0.00 61.98 62.86 1wqk s VAL 41 Cb -0.10 -3.29 0.28 0.00 0.00 0.00 0.00 36.38 33.28 1wqk s VAL 41 CO 0.48 -0.28 1.38 0.47 0.00 0.00 0.00 175.10 177.16