#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 3.85 -4.17 2.61 -2.24 -1.26 -4.94 114.28 108.14 1wqk n THR 2 Ca 0.00 -3.88 -0.34 0.00 -2.27 0.00 0.00 64.05 57.56 1wqk n THR 2 Cb 0.00 -2.42 -0.11 0.00 -2.10 0.00 0.00 70.33 65.69 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 3.72 4.21 -0.08 4.28 2.01 -1.26 -0.30 115.64 128.22 1wqk s THR 3 Ca 0.51 -0.24 -0.01 0.00 0.31 0.00 0.00 61.69 62.26 1wqk s THR 3 Cb 0.06 -2.88 0.03 0.00 0.01 0.00 0.00 72.50 69.72 1wqk s THR 3 CO 0.03 0.46 0.00 0.00 -0.69 0.00 0.00 174.62 174.42 1wqk s TYR 5 N 1.95 3.22 -0.98 0.00 1.51 -1.26 -0.93 117.35 120.87 1wqk s TYR 5 Ca 0.04 1.26 -0.17 0.00 -1.01 0.00 0.00 57.07 57.20 1wqk s TYR 5 Cb -0.13 -3.49 0.16 0.00 -0.11 0.00 0.00 41.96 38.39 1wqk s TYR 5 CO -0.06 -0.64 1.14 0.00 -1.11 0.00 0.00 175.55 174.88 1wqk n GLY 7 N 4.86 0.86 0.01 0.00 0.00 -1.26 -1.22 105.19 108.45 1wqk n GLY 7 Ca 0.25 0.43 0.11 0.00 0.00 0.00 0.00 46.02 46.81 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 0.65 -3.44 1.61 5.02 -1.26 -4.90 118.16 115.84 1wqk n LYS 8 Ca 0.00 -0.20 -0.39 0.00 -2.02 0.00 0.00 58.31 55.70 1wqk n LYS 8 Cb 0.00 -1.51 -0.10 0.00 -0.02 0.00 0.00 35.03 33.40 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 -3.49 5.20 0.03 -0.18 2.01 -0.36 -5.05 115.64 113.80 1wqk s THR 9 Ca -0.08 0.30 -0.30 0.00 0.31 0.00 0.00 61.69 61.92 1wqk s THR 9 Cb 0.14 -3.70 -0.04 0.00 0.01 0.00 0.00 72.50 68.91 1wqk s THR 9 CO 0.89 0.09 0.98 -0.51 -0.69 0.00 0.00 174.62 175.39 1wqk s ILE 10 N 1.98 4.76 0.37 1.82 2.07 -1.26 -0.34 121.20 130.60 1wqk s ILE 10 Ca 0.12 2.04 0.04 0.00 -1.41 0.00 0.00 60.65 61.44 1wqk s ILE 10 Cb -0.16 -4.31 -0.04 0.00 0.13 0.00 0.00 42.46 38.08 1wqk s ILE 10 CO 0.11 0.20 0.08 -0.83 -1.91 0.00 0.00 174.94 172.59 1wqk s GLY 11 N 0.77 2.35 -0.09 1.50 0.00 -0.10 -1.26 107.32 110.48 1wqk s GLY 11 Ca 0.51 -1.61 0.01 0.00 0.00 0.00 0.00 44.72 43.62 1wqk s GLY 11 CO 0.29 -1.85 -0.11 -1.50 0.00 0.00 0.00 173.10 169.92 1wqk s ILE 12 N -3.24 3.25 -0.38 0.90 -1.16 0.33 -1.44 121.20 119.47 1wqk s ILE 12 Ca 0.29 -0.62 -0.23 0.00 -0.51 0.00 0.00 60.65 59.58 1wqk s ILE 12 Cb 0.06 -2.34 0.01 0.00 0.61 0.00 0.00 42.46 40.80 1wqk s ILE 12 CO 0.14 0.56 0.80 -0.47 -2.81 0.00 0.00 174.94 173.15 1wqk s TYR 13 N -0.21 3.09 -0.56 3.50 5.04 0.59 -0.91 117.35 127.88 1wqk s TYR 13 Ca 0.01 0.52 -0.20 0.00 -2.44 0.00 0.00 57.07 54.96 1wqk s TYR 13 Cb -0.13 -3.46 0.07 0.00 0.35 0.00 0.00 41.96 38.79 1wqk s TYR 13 CO 0.03 -0.78 0.74 -1.58 -1.34 0.00 0.00 175.55 172.62 1wqk s TRP 14 N 3.16 2.95 0.09 4.97 0.52 0.86 -4.81 118.94 126.68 1wqk s TRP 14 Ca 0.32 -0.63 -0.31 0.00 0.02 0.00 0.00 56.10 55.50 1wqk s TRP 14 Cb -0.13 -3.87 -0.06 0.00 -1.15 0.00 0.00 33.47 28.26 1wqk s TRP 14 CO 0.18 -1.25 1.23 0.12 0.02 0.00 0.00 176.95 177.25 1wqk s PHE 15 N 3.00 3.41 0.00 -1.98 5.36 -1.26 -1.23 117.98 125.27 1wqk s PHE 15 Ca 0.16 1.27 0.00 0.00 -0.96 0.00 0.00 56.93 57.40 1wqk s PHE 15 Cb -0.20 -3.46 0.00 0.00 -0.34 0.00 0.00 43.02 39.02 1wqk s PHE 15 CO 0.10 -1.44 0.00 0.41 -1.46 0.00 0.00 175.22 172.84 1wqk n GLY 16 N 3.09 1.97 3.74 13.12 0.00 0.20 -4.94 105.19 122.37 1wqk n GLY 16 Ca 0.09 -0.68 -0.35 0.00 0.00 0.00 0.00 46.02 45.07 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 2.46 -0.63 2.61 -1.32 -1.26 -4.40 115.64 113.10 1wqk s THR 17 Ca 0.00 0.26 0.10 0.00 -1.21 0.00 0.00 61.69 60.85 1wqk s THR 17 Cb 0.00 -2.99 0.30 0.00 -1.51 0.00 0.00 72.50 68.30 1wqk s THR 17 CO 0.00 -0.09 1.24 0.29 -2.21 0.00 0.00 174.62 173.86 1wqk n LYS 18 N -2.05 2.85 -4.65 7.08 4.01 -1.26 -2.41 118.16 121.73 1wqk n LYS 18 Ca 0.14 -2.13 -0.25 0.00 -0.51 0.00 0.00 58.31 55.56 1wqk n LYS 18 Cb 0.50 -1.34 -0.17 0.00 -0.51 0.00 0.00 35.03 33.51 1wqk n LYS 18 CO 0.00 0.00 0.00 0.99 -1.11 0.00 0.00 177.40 177.28 1wqk s THR 19 N -1.38 1.22 0.09 -0.18 2.01 -1.26 -4.88 115.64 111.25 1wqk s THR 19 Ca 0.23 -0.53 -0.31 0.00 0.31 0.00 0.00 61.69 61.40 1wqk s THR 19 Cb 0.15 -1.11 -0.08 0.00 0.01 0.00 0.00 72.50 71.48 1wqk s THR 19 CO 0.12 0.37 1.45 0.00 -0.69 0.00 0.00 174.62 175.87 1wqk n PRO 21 N 4.52 1.29 -1.07 0.00 -0.02 -1.26 -4.82 135.00 133.65 1wqk n PRO 21 Ca 0.13 0.34 -0.15 0.00 -2.02 0.00 0.00 63.50 61.80 1wqk n PRO 21 Cb 0.42 -2.67 -0.11 0.00 -0.02 0.00 0.00 33.50 31.12 1wqk n PRO 21 CO 0.00 0.00 0.00 0.43 1.98 0.00 0.00 175.50 177.91 1wqk n SER 22 N 10.47 5.65 -1.02 2.55 7.64 -1.26 -3.49 113.62 134.17 1wqk n SER 22 Ca 0.39 -2.70 0.01 0.00 1.01 0.00 0.00 58.87 57.57 1wqk n SER 22 Cb 0.29 -1.32 0.00 0.00 -1.01 0.00 0.00 64.21 62.17 1wqk n SER 22 CO 0.00 0.00 0.00 -0.46 -3.01 0.00 0.00 175.04 171.57 1wqk n ASN 23 N 1.83 0.33 0.02 6.43 6.94 -1.26 -4.90 115.26 124.65 1wqk n ASN 23 Ca 0.39 -1.91 0.00 0.00 -0.02 0.00 0.00 54.58 53.04 1wqk n ASN 23 Cb 0.76 -0.16 0.00 0.00 -2.36 0.00 0.00 39.78 38.01 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 0.23 0.00 0.00 -3.83 3.00 -1.23 -5.06 116.66 109.77 1wqk n ARG 24 Ca -0.01 0.00 0.00 0.00 -0.01 0.00 0.00 57.85 57.83 1wqk n ARG 24 Cb 0.89 -0.49 0.00 0.00 0.00 0.00 0.00 32.46 32.86 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 3.20 0.92 3.75 -0.13 0.00 -1.26 -5.10 105.19 106.57 1wqk n GLY 25 Ca 0.00 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.65 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 -0.92 2.41 -0.15 1.61 2.02 -1.26 -4.81 117.35 116.25 1wqk s TYR 26 Ca 0.00 1.46 -0.02 0.00 -0.37 0.00 0.00 57.07 58.14 1wqk s TYR 26 Cb 0.00 -3.61 -0.09 0.00 -0.40 0.00 0.00 41.96 37.86 1wqk s TYR 26 CO 0.00 -2.43 -0.15 2.41 -1.57 0.00 0.00 175.55 173.81 1wqk n THR 27 N -1.17 0.84 -4.39 -0.71 -1.04 -0.29 -4.94 114.28 102.59 1wqk n THR 27 Ca 0.11 -0.29 -0.21 0.00 -2.04 0.00 0.00 64.05 61.63 1wqk n THR 27 Cb 0.47 -1.25 -0.09 0.00 -1.82 0.00 0.00 70.33 67.64 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 -5.37 2.22 -0.15 3.41 0.00 -0.04 -5.01 107.32 102.38 1wqk s GLY 28 Ca -0.20 -1.66 -0.15 0.00 0.00 0.00 0.00 44.72 42.70 1wqk s GLY 28 CO 0.32 -1.66 0.43 -1.35 0.00 0.00 0.00 173.10 170.84 1wqk s SER 29 N -3.44 -0.44 -0.09 1.64 1.04 -1.26 -1.32 113.70 109.83 1wqk s SER 29 Ca 0.33 0.83 0.03 0.00 0.48 0.00 0.00 55.95 57.62 1wqk s SER 29 Cb 0.05 0.85 -0.01 0.00 0.10 0.00 0.00 66.02 67.00 1wqk s SER 29 CO 0.17 -0.18 -0.18 0.00 0.98 0.00 0.00 173.24 174.03 1wqk s GLY 31 N -0.02 2.58 0.24 0.00 0.00 -1.26 0.15 107.32 109.00 1wqk s GLY 31 Ca -0.06 0.90 0.04 0.00 0.00 0.00 0.00 44.72 45.60 1wqk s GLY 31 CO 0.05 1.91 -0.02 -0.47 0.00 0.00 0.00 173.10 174.57 1wqk s TYR 32 N 0.38 1.62 0.01 1.90 5.04 -0.43 -4.84 117.35 121.02 1wqk s TYR 32 Ca 0.55 -0.88 -0.02 0.00 -2.44 0.00 0.00 57.07 54.29 1wqk s TYR 32 Cb -0.31 -0.93 -0.00 0.00 0.35 0.00 0.00 41.96 41.07 1wqk s TYR 32 CO 0.33 0.02 0.90 1.19 -1.34 0.00 0.00 175.55 176.66 1wqk n PHE 33 N -0.44 -0.02 -2.20 4.97 3.72 -1.26 -1.77 117.46 120.45 1wqk n PHE 33 Ca -0.05 0.06 -0.24 0.00 -0.05 0.00 0.00 57.45 57.17 1wqk n PHE 33 Cb 0.64 -0.45 0.01 0.00 -0.94 0.00 0.00 39.48 38.74 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 -3.00 4.73 0.00 4.37 4.32 -1.26 -5.04 117.00 121.11 1wqk n LEU 34 Ca 0.00 -4.85 0.00 0.00 -0.02 0.00 0.00 56.01 51.14 1wqk n LEU 34 Cb 0.01 -0.35 0.00 0.00 -1.62 0.00 0.00 43.42 41.46 1wqk n LEU 34 CO -0.01 2.12 0.00 0.61 -1.22 0.00 0.00 177.39 178.89 1wqk n GLY 35 N -0.62 -0.60 2.87 -0.72 0.00 -0.73 0.59 105.19 105.98 1wqk n GLY 35 Ca 0.41 -0.58 -0.16 0.00 0.00 0.00 0.00 46.02 45.69 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 -3.19 0.24 -0.58 -0.61 2.07 -0.37 -1.31 121.20 117.44 1wqk s ILE 36 Ca 0.00 -0.02 -0.20 0.00 -1.41 0.00 0.00 60.65 59.02 1wqk s ILE 36 Cb 0.00 -0.28 0.09 0.00 0.13 0.00 0.00 42.46 42.40 1wqk s ILE 36 CO 0.00 0.12 0.73 0.00 -1.91 0.00 0.00 174.94 173.88 1wqk s TYR 39 N 0.49 1.37 0.55 0.00 -0.85 -0.43 -0.51 117.35 117.97 1wqk s TYR 39 Ca 0.21 -0.65 -0.17 0.00 -0.52 0.00 0.00 57.07 55.93 1wqk s TYR 39 Cb -0.14 -0.69 -0.06 0.00 0.38 0.00 0.00 41.96 41.45 1wqk s TYR 39 CO 0.07 0.14 1.05 -2.14 -1.52 0.00 0.00 175.55 173.15 1wqk s PRO 40 N -3.32 3.53 -0.69 -3.49 0.02 -1.26 -0.86 135.00 128.93 1wqk s PRO 40 Ca 0.14 1.24 -0.26 0.00 0.02 0.00 0.00 61.00 62.15 1wqk s PRO 40 Cb -0.01 -2.06 -0.01 0.00 0.02 0.00 0.00 34.50 32.44 1wqk s PRO 40 CO 0.02 -0.64 1.75 0.54 -0.33 0.00 0.00 177.00 178.34 1wqk s VAL 41 N -2.30 3.45 0.00 3.83 0.11 -0.39 -4.81 120.40 120.30 1wqk s VAL 41 Ca 0.65 0.13 0.00 0.00 -2.93 0.00 0.00 61.98 59.83 1wqk s VAL 41 Cb -0.16 -4.17 0.00 0.00 -1.53 0.00 0.00 36.38 30.52 1wqk s VAL 41 CO 0.31 -1.13 0.00 -0.67 -3.33 0.00 0.00 175.10 170.28