#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 4.02 -0.02 2.61 -4.23 -1.26 -4.95 115.64 111.81 1wqk s THR 2 Ca 0.00 -0.55 -0.01 0.00 -1.18 0.00 0.00 61.69 59.95 1wqk s THR 2 Cb 0.00 -4.95 0.01 0.00 1.34 0.00 0.00 72.50 68.89 1wqk s THR 2 CO 0.00 -1.82 0.04 -0.89 -0.54 0.00 0.00 174.62 171.42 1wqk s THR 3 N 4.76 -0.00 0.41 3.99 2.01 -1.26 -1.34 115.64 124.21 1wqk s THR 3 Ca 0.39 0.02 0.05 0.00 0.31 0.00 0.00 61.69 62.46 1wqk s THR 3 Cb -0.04 -0.07 -0.06 0.00 0.01 0.00 0.00 72.50 72.34 1wqk s THR 3 CO -0.02 0.01 0.03 0.00 -0.69 0.00 0.00 174.62 173.95 1wqk s TYR 5 N -2.92 1.80 -0.66 0.00 2.02 -1.26 -0.21 117.35 116.11 1wqk s TYR 5 Ca 0.29 -2.14 -0.27 0.00 -0.37 0.00 0.00 57.07 54.59 1wqk s TYR 5 Cb 0.08 -1.75 0.01 0.00 -0.40 0.00 0.00 41.96 39.90 1wqk s TYR 5 CO 0.14 -0.82 1.45 0.00 -1.57 0.00 0.00 175.55 174.75 1wqk n GLY 7 N 5.42 1.46 0.00 0.00 0.00 -1.26 -1.34 105.19 109.47 1wqk n GLY 7 Ca 0.10 0.10 0.00 0.00 0.00 0.00 0.00 46.02 46.22 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 1.41 -3.11 1.61 4.76 -1.26 -5.02 118.16 116.55 1wqk n LYS 8 Ca 0.00 -1.05 -0.40 0.00 -2.87 0.00 0.00 58.31 53.98 1wqk n LYS 8 Cb 0.00 -0.94 -0.06 0.00 -1.84 0.00 0.00 35.03 32.19 1wqk n LYS 8 CO 0.00 0.00 0.00 0.99 -1.37 0.00 0.00 177.40 177.02 1wqk s THR 9 N -0.57 4.99 -0.09 -0.18 2.01 -0.45 -5.02 115.64 116.33 1wqk s THR 9 Ca 0.00 1.16 -0.30 0.00 0.31 0.00 0.00 61.69 62.87 1wqk s THR 9 Cb 0.00 -3.94 -0.04 0.00 0.01 0.00 0.00 72.50 68.53 1wqk s THR 9 CO 0.00 0.05 1.41 -0.51 -0.69 0.00 0.00 174.62 174.88 1wqk s ILE 10 N 2.32 3.94 0.19 1.82 2.07 -1.26 -0.44 121.20 129.84 1wqk s ILE 10 Ca 0.27 1.20 0.11 0.00 -1.41 0.00 0.00 60.65 60.82 1wqk s ILE 10 Cb -0.16 -3.77 -0.04 0.00 0.13 0.00 0.00 42.46 38.62 1wqk s ILE 10 CO 0.09 -0.08 -0.23 -0.83 -1.91 0.00 0.00 174.94 171.98 1wqk s GLY 11 N 2.34 1.71 -0.15 1.50 0.00 0.70 -1.09 107.32 112.34 1wqk s GLY 11 Ca 0.62 -1.64 -0.04 0.00 0.00 0.00 0.00 44.72 43.66 1wqk s GLY 11 CO 0.22 -1.67 -0.01 -1.50 0.00 0.00 0.00 173.10 170.15 1wqk s ILE 12 N -1.69 4.17 -0.42 0.90 -1.16 0.49 -0.15 121.20 123.35 1wqk s ILE 12 Ca 0.21 -0.26 -0.25 0.00 -0.51 0.00 0.00 60.65 59.83 1wqk s ILE 12 Cb -0.08 -2.83 0.02 0.00 0.61 0.00 0.00 42.46 40.19 1wqk s ILE 12 CO 0.10 0.51 0.90 -0.47 -2.81 0.00 0.00 174.94 173.17 1wqk s TYR 13 N 0.10 3.00 -0.14 3.50 5.04 -0.45 -0.70 117.35 127.71 1wqk s TYR 13 Ca 0.01 0.53 -0.14 0.00 -2.44 0.00 0.00 57.07 55.04 1wqk s TYR 13 Cb -0.13 -3.78 -0.05 0.00 0.35 0.00 0.00 41.96 38.35 1wqk s TYR 13 CO 0.02 -0.96 0.30 -1.58 -1.34 0.00 0.00 175.55 172.00 1wqk s TRP 14 N 3.56 3.49 -0.07 4.97 0.52 1.00 -4.88 118.94 127.53 1wqk s TRP 14 Ca 0.36 0.64 0.02 0.00 0.02 0.00 0.00 56.10 57.14 1wqk s TRP 14 Cb -0.11 -2.32 -0.03 0.00 -1.15 0.00 0.00 33.47 29.86 1wqk s TRP 14 CO 0.22 0.30 -0.11 0.12 0.02 0.00 0.00 176.95 177.51 1wqk s PHE 15 N 0.26 2.83 0.00 -1.98 5.36 -1.26 -0.51 117.98 122.67 1wqk s PHE 15 Ca 0.17 -0.15 0.00 0.00 -0.96 0.00 0.00 56.93 55.99 1wqk s PHE 15 Cb -0.13 -1.71 0.00 0.00 -0.34 0.00 0.00 43.02 40.84 1wqk s PHE 15 CO 0.05 0.18 0.00 0.41 -1.46 0.00 0.00 175.22 174.40 1wqk n GLY 16 N 2.50 2.98 3.85 13.12 0.00 -1.25 -5.02 105.19 121.38 1wqk n GLY 16 Ca -0.18 -0.78 -0.32 0.00 0.00 0.00 0.00 46.02 44.74 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 4.75 -0.60 2.61 -1.32 -1.26 -4.97 115.64 114.84 1wqk s THR 17 Ca 0.00 0.83 0.07 0.00 -1.21 0.00 0.00 61.69 61.37 1wqk s THR 17 Cb 0.00 -3.62 0.17 0.00 -1.51 0.00 0.00 72.50 67.54 1wqk s THR 17 CO 0.00 -0.14 1.10 0.29 -2.21 0.00 0.00 174.62 173.66 1wqk n LYS 18 N -0.27 2.57 -4.53 7.08 5.02 -1.26 -3.90 118.16 122.86 1wqk n LYS 18 Ca 0.02 -1.73 -0.21 0.00 -2.02 0.00 0.00 58.31 54.38 1wqk n LYS 18 Cb 0.53 -1.16 -0.15 0.00 -0.02 0.00 0.00 35.03 34.23 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 -0.95 1.02 -0.26 -0.18 -4.23 -1.26 -4.95 115.64 104.83 1wqk s THR 19 Ca 0.14 -0.63 -0.29 0.00 -1.18 0.00 0.00 61.69 59.72 1wqk s THR 19 Cb 0.07 -0.87 -0.01 0.00 1.34 0.00 0.00 72.50 73.03 1wqk s THR 19 CO 0.10 0.23 1.48 0.00 -0.54 0.00 0.00 174.62 175.88 1wqk s PRO 21 N 4.48 4.21 -0.95 0.00 0.04 -1.26 -4.88 135.00 136.64 1wqk s PRO 21 Ca 0.65 2.42 -0.08 0.00 0.04 0.00 0.00 61.00 64.03 1wqk s PRO 21 Cb -0.21 -3.06 -0.16 0.00 0.04 0.00 0.00 34.50 31.11 1wqk s PRO 21 CO 0.27 -0.49 3.16 0.45 0.04 0.00 0.00 177.00 180.43 1wqk n SER 22 N 1.97 7.16 -0.00 6.66 2.88 -1.26 -3.83 113.62 127.20 1wqk n SER 22 Ca 0.06 -2.51 0.00 0.00 -1.33 0.00 0.00 58.87 55.09 1wqk n SER 22 Cb 0.39 -1.47 -0.01 0.00 -0.75 0.00 0.00 64.21 62.38 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 3.18 3.19 0.00 -3.46 6.94 -1.26 -4.75 115.26 119.10 1wqk n ASN 23 Ca 0.63 -0.18 0.00 0.00 -0.02 0.00 0.00 54.58 55.01 1wqk n ASN 23 Cb 0.49 1.03 0.00 0.00 -2.36 0.00 0.00 39.78 38.94 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 -1.36 2.52 -0.46 -3.83 3.00 -1.25 -5.04 116.66 110.24 1wqk n ARG 24 Ca -0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.85 57.84 1wqk n ARG 24 Cb 0.02 -0.88 0.00 0.00 0.00 0.00 0.00 32.46 31.60 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 2.22 1.55 3.65 -0.13 0.00 -1.26 -4.94 105.19 106.29 1wqk n GLY 25 Ca 0.00 -0.19 -0.51 0.00 0.00 0.00 0.00 46.02 45.32 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 -1.53 1.98 0.66 1.61 4.01 -1.26 -4.85 117.16 117.78 1wqk n TYR 26 Ca 0.00 0.40 0.07 0.00 -0.16 0.00 0.00 57.90 58.22 1wqk n TYR 26 Cb 0.11 -2.48 0.01 0.00 -0.31 0.00 0.00 39.34 36.67 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 3.71 0.00 -3.80 -0.72 -1.04 0.13 -4.93 114.28 107.63 1wqk n THR 27 Ca 0.21 -0.37 -0.10 0.00 -2.04 0.00 0.00 64.05 61.75 1wqk n THR 27 Cb 0.22 1.20 -0.07 0.00 -1.82 0.00 0.00 70.33 69.85 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 -1.72 -0.01 -0.01 3.41 0.00 0.11 -4.99 107.32 104.12 1wqk s GLY 28 Ca 0.13 -0.36 0.01 0.00 0.00 0.00 0.00 44.72 44.50 1wqk s GLY 28 CO 0.35 -0.57 -0.03 -1.35 0.00 0.00 0.00 173.10 171.50 1wqk s SER 29 N -2.58 0.40 -0.22 1.64 1.04 -1.26 -0.72 113.70 111.99 1wqk s SER 29 Ca 0.01 -0.06 0.02 0.00 0.48 0.00 0.00 55.95 56.40 1wqk s SER 29 Cb 0.02 -0.07 0.04 0.00 0.10 0.00 0.00 66.02 66.11 1wqk s SER 29 CO -0.09 0.02 -0.14 0.00 0.98 0.00 0.00 173.24 174.02 1wqk s GLY 31 N 1.22 2.93 0.30 0.00 0.00 -1.26 -0.14 107.32 110.37 1wqk s GLY 31 Ca -0.03 1.54 0.04 0.00 0.00 0.00 0.00 44.72 46.27 1wqk s GLY 31 CO -0.08 2.19 0.20 -0.47 0.00 0.00 0.00 173.10 174.94 1wqk s TYR 32 N -1.16 1.59 -0.61 1.90 6.14 -0.20 -4.80 117.35 120.21 1wqk s TYR 32 Ca 0.58 -1.48 -0.26 0.00 0.64 0.00 0.00 57.07 56.54 1wqk s TYR 32 Cb -0.46 -0.77 -0.11 0.00 0.42 0.00 0.00 41.96 41.05 1wqk s TYR 32 CO 0.60 -0.66 2.45 1.19 0.64 0.00 0.00 175.55 179.77 1wqk n PHE 33 N -0.56 1.24 -1.50 4.97 3.72 -1.26 -1.47 117.46 122.60 1wqk n PHE 33 Ca 0.03 0.14 -0.17 0.00 -0.05 0.00 0.00 57.45 57.40 1wqk n PHE 33 Cb 0.64 -2.55 -0.07 0.00 -0.94 0.00 0.00 39.48 36.56 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 15.33 -1.10 0.00 4.37 4.77 -1.26 -4.90 117.00 134.22 1wqk n LEU 34 Ca 0.43 0.43 -0.07 0.00 -0.03 0.00 0.00 56.01 56.76 1wqk n LEU 34 Cb 0.45 -2.77 -0.02 0.00 -2.33 0.00 0.00 43.42 38.75 1wqk n LEU 34 CO 0.73 -1.06 0.04 0.61 -1.33 0.00 0.00 177.39 176.37 1wqk n GLY 35 N -0.22 2.97 2.91 -0.72 0.00 -0.54 -3.77 105.19 105.82 1wqk n GLY 35 Ca -0.17 -1.58 -0.14 0.00 0.00 0.00 0.00 46.02 44.12 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 -2.61 -0.13 -0.48 -0.61 2.07 0.33 -1.04 121.20 118.74 1wqk s ILE 36 Ca 0.15 0.24 -0.17 0.00 -1.41 0.00 0.00 60.65 59.45 1wqk s ILE 36 Cb 0.00 -0.28 0.06 0.00 0.13 0.00 0.00 42.46 42.37 1wqk s ILE 36 CO 0.11 0.10 0.49 0.00 -1.91 0.00 0.00 174.94 173.73 1wqk s TYR 39 N -0.47 1.49 0.36 0.00 -0.85 0.10 -0.38 117.35 117.59 1wqk s TYR 39 Ca 0.16 -0.66 -0.05 0.00 -0.52 0.00 0.00 57.07 56.00 1wqk s TYR 39 Cb -0.13 -0.72 -0.05 0.00 0.38 0.00 0.00 41.96 41.44 1wqk s TYR 39 CO 0.05 0.22 0.63 -1.25 -1.52 0.00 0.00 175.55 173.69 1wqk s PRO 40 N -3.68 3.61 -1.10 -3.49 0.04 -1.26 -0.69 135.00 128.43 1wqk s PRO 40 Ca 0.19 0.06 -0.20 0.00 0.04 0.00 0.00 61.00 61.09 1wqk s PRO 40 Cb 0.01 -2.55 -0.06 0.00 0.04 0.00 0.00 34.50 31.93 1wqk s PRO 40 CO 0.04 0.08 1.95 0.28 0.04 0.00 0.00 177.00 179.38 1wqk n VAL 41 N -1.42 2.51 1.44 -0.36 0.31 -0.25 -4.72 118.33 115.84 1wqk n VAL 41 Ca -0.01 -2.40 0.14 0.00 -0.01 0.00 0.00 64.34 62.06 1wqk n VAL 41 Cb 0.55 -2.33 0.48 0.00 -0.91 0.00 0.00 33.84 31.62 1wqk n VAL 41 CO 0.00 0.00 0.00 -0.67 -1.32 0.00 0.00 176.83 174.84