#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 2.70 -2.44 2.61 -2.24 -1.26 -4.91 114.28 108.74 1wqk n THR 2 Ca 0.00 -1.57 -0.43 0.00 -2.27 0.00 0.00 64.05 59.78 1wqk n THR 2 Cb 0.00 -1.47 -0.02 0.00 -2.10 0.00 0.00 70.33 66.74 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 -1.48 3.97 0.13 4.28 2.01 -1.26 -0.67 115.64 122.63 1wqk s THR 3 Ca 0.31 0.96 0.08 0.00 0.31 0.00 0.00 61.69 63.35 1wqk s THR 3 Cb 0.21 -4.38 -0.04 0.00 0.01 0.00 0.00 72.50 68.30 1wqk s THR 3 CO -0.04 -0.93 -0.11 0.00 -0.69 0.00 0.00 174.62 172.86 1wqk s TYR 5 N -1.34 1.69 -0.67 0.00 1.51 -1.26 0.05 117.35 117.33 1wqk s TYR 5 Ca 0.22 -1.07 -0.15 0.00 -1.01 0.00 0.00 57.07 55.06 1wqk s TYR 5 Cb -0.10 -1.31 0.17 0.00 -0.11 0.00 0.00 41.96 40.60 1wqk s TYR 5 CO 0.14 -0.61 0.62 0.00 -1.11 0.00 0.00 175.55 174.59 1wqk n GLY 7 N 4.68 1.33 0.29 0.00 0.00 -1.26 -1.31 105.19 108.93 1wqk n GLY 7 Ca -0.01 0.20 0.07 0.00 0.00 0.00 0.00 46.02 46.27 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 1.88 -3.55 1.61 2.85 -1.26 -4.93 118.16 114.76 1wqk n LYS 8 Ca 0.00 -0.68 -0.39 0.00 -1.05 0.00 0.00 58.31 56.18 1wqk n LYS 8 Cb 0.00 -1.20 -0.11 0.00 -0.65 0.00 0.00 35.03 33.08 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 -1.73 5.29 0.06 0.58 2.01 -0.43 -5.06 115.64 116.38 1wqk s THR 9 Ca 0.11 -0.04 -0.28 0.00 0.31 0.00 0.00 61.69 61.79 1wqk s THR 9 Cb 0.11 -3.64 -0.05 0.00 0.01 0.00 0.00 72.50 68.93 1wqk s THR 9 CO 0.36 0.10 0.87 -0.51 -0.69 0.00 0.00 174.62 174.75 1wqk s ILE 10 N 1.74 4.66 0.01 1.82 2.07 -1.26 -0.27 121.20 129.97 1wqk s ILE 10 Ca 0.07 1.86 0.00 0.00 -1.41 0.00 0.00 60.65 61.17 1wqk s ILE 10 Cb -0.17 -4.23 -0.00 0.00 0.13 0.00 0.00 42.46 38.20 1wqk s ILE 10 CO 0.11 0.32 0.01 0.61 -1.91 0.00 0.00 174.94 174.07 1wqk n GLY 11 N 2.41 4.02 3.29 1.50 0.00 0.11 -1.26 105.19 115.26 1wqk n GLY 11 Ca 0.01 -1.73 -0.31 0.00 0.00 0.00 0.00 46.02 43.98 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 -1.92 2.07 -0.51 -0.61 -1.16 -0.32 -1.09 121.20 117.65 1wqk s ILE 12 Ca 0.01 -1.08 -0.23 0.00 -0.51 0.00 0.00 60.65 58.83 1wqk s ILE 12 Cb 0.00 -1.73 0.04 0.00 0.61 0.00 0.00 42.46 41.38 1wqk s ILE 12 CO 0.01 0.58 0.87 -0.47 -2.81 0.00 0.00 174.94 173.11 1wqk s TYR 13 N -0.39 2.88 -0.62 3.50 5.04 0.16 -1.51 117.35 126.41 1wqk s TYR 13 Ca 0.03 0.02 -0.21 0.00 -2.44 0.00 0.00 57.07 54.47 1wqk s TYR 13 Cb -0.12 -3.90 0.08 0.00 0.35 0.00 0.00 41.96 38.37 1wqk s TYR 13 CO 0.01 -1.20 0.86 -1.58 -1.34 0.00 0.00 175.55 172.30 1wqk s TRP 14 N 3.62 2.81 0.02 4.97 0.52 0.77 -4.87 118.94 126.78 1wqk s TRP 14 Ca 0.29 -0.67 -0.26 0.00 0.02 0.00 0.00 56.10 55.48 1wqk s TRP 14 Cb -0.13 -4.15 -0.05 0.00 -1.15 0.00 0.00 33.47 27.99 1wqk s TRP 14 CO 0.20 -1.49 0.81 0.12 0.02 0.00 0.00 176.95 176.62 1wqk s PHE 15 N 3.51 3.69 0.00 -1.98 5.36 -1.26 -0.44 117.98 126.86 1wqk s PHE 15 Ca 0.18 1.50 0.00 0.00 -0.96 0.00 0.00 56.93 57.65 1wqk s PHE 15 Cb -0.19 -2.90 0.00 0.00 -0.34 0.00 0.00 43.02 39.59 1wqk s PHE 15 CO 0.09 0.16 0.00 0.41 -1.46 0.00 0.00 175.22 174.43 1wqk n GLY 16 N 2.65 2.77 3.45 13.12 0.00 -0.05 -4.97 105.19 122.16 1wqk n GLY 16 Ca 0.00 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.74 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 -2.61 2.56 -2.38 2.61 -1.32 -1.25 -5.00 115.64 108.26 1wqk s THR 17 Ca 0.00 -1.76 0.21 0.00 -1.21 0.00 0.00 61.69 58.93 1wqk s THR 17 Cb 0.00 -2.19 0.30 0.00 -1.51 0.00 0.00 72.50 69.09 1wqk s THR 17 CO 0.00 0.00 1.27 0.29 -2.21 0.00 0.00 174.62 173.97 1wqk n LYS 18 N 0.57 2.20 -4.14 7.08 4.76 -1.26 -3.26 118.16 124.11 1wqk n LYS 18 Ca -0.15 -2.01 -0.15 0.00 -2.87 0.00 0.00 58.31 53.13 1wqk n LYS 18 Cb 0.54 -1.44 -0.13 0.00 -1.84 0.00 0.00 35.03 32.17 1wqk n LYS 18 CO 0.00 0.00 0.00 -0.08 -1.37 0.00 0.00 177.40 175.95 1wqk s THR 19 N -1.53 0.61 -0.05 -0.18 -1.32 -1.26 -4.96 115.64 106.94 1wqk s THR 19 Ca 0.31 -0.81 -0.29 0.00 -1.21 0.00 0.00 61.69 59.69 1wqk s THR 19 Cb 0.19 -0.61 -0.02 0.00 -1.51 0.00 0.00 72.50 70.55 1wqk s THR 19 CO 0.28 -0.16 0.95 0.00 -2.21 0.00 0.00 174.62 173.48 1wqk s PRO 21 N 1.41 3.79 -0.07 0.00 0.02 -1.26 -4.86 135.00 134.03 1wqk s PRO 21 Ca 0.48 2.23 0.02 0.00 0.02 0.00 0.00 61.00 63.75 1wqk s PRO 21 Cb -0.19 -4.19 0.15 0.00 0.02 0.00 0.00 34.50 30.29 1wqk s PRO 21 CO 0.23 -1.34 0.96 0.43 -0.33 0.00 0.00 177.00 176.94 1wqk n SER 22 N 8.88 2.54 -1.69 2.53 7.64 -1.26 -3.45 113.62 128.82 1wqk n SER 22 Ca 0.22 -2.26 0.09 0.00 1.01 0.00 0.00 58.87 57.93 1wqk n SER 22 Cb 0.43 -0.55 0.38 0.00 -1.01 0.00 0.00 64.21 63.45 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 0.15 5.09 0.05 6.43 6.94 -1.26 -4.52 115.26 128.14 1wqk n ASN 23 Ca 0.09 -2.60 -0.00 0.00 -0.02 0.00 0.00 54.58 52.05 1wqk n ASN 23 Cb 0.59 -0.62 -0.00 0.00 -2.36 0.00 0.00 39.78 37.39 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 0.99 0.02 0.00 -3.83 5.12 -1.22 -5.08 116.66 112.66 1wqk n ARG 24 Ca 0.27 0.01 0.00 0.00 -1.93 0.00 0.00 57.85 56.19 1wqk n ARG 24 Cb 0.99 -0.53 0.00 0.00 -1.16 0.00 0.00 32.46 31.76 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 3.44 0.95 3.73 -0.13 0.00 -1.26 -4.92 105.19 106.99 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 -1.80 3.30 -0.08 1.61 2.02 -1.26 -4.66 117.35 116.48 1wqk s TYR 26 Ca 0.00 1.17 0.14 0.00 -0.37 0.00 0.00 57.07 58.02 1wqk s TYR 26 Cb 0.00 -3.58 -0.17 0.00 -0.40 0.00 0.00 41.96 37.80 1wqk s TYR 26 CO 0.00 -1.88 0.81 1.15 -1.57 0.00 0.00 175.55 174.06 1wqk h THR 27 N 4.00 0.73 -3.28 -0.71 2.02 -1.02 -3.47 112.91 111.18 1wqk h THR 27 Ca -0.43 -2.38 -0.00 0.00 0.77 0.00 0.00 66.41 64.36 1wqk h THR 27 Cb 1.21 2.26 -0.06 0.00 -1.74 0.00 0.00 68.15 69.82 1wqk h THR 27 CO 0.80 0.41 0.10 -0.83 0.37 0.00 0.00 175.52 176.37 1wqk s GLY 28 N -4.91 0.27 0.02 2.16 0.00 -0.59 -5.02 107.32 99.25 1wqk s GLY 28 Ca -0.03 -0.63 -0.01 0.00 0.00 0.00 0.00 44.72 44.05 1wqk s GLY 28 CO 0.81 -0.35 -0.01 -1.35 0.00 0.00 0.00 173.10 172.21 1wqk s SER 29 N -2.99 0.26 -0.00 1.64 1.04 -1.26 -1.37 113.70 111.01 1wqk s SER 29 Ca 0.16 -0.56 0.07 0.00 0.48 0.00 0.00 55.95 56.10 1wqk s SER 29 Cb -0.04 0.13 -0.02 0.00 0.10 0.00 0.00 66.02 66.20 1wqk s SER 29 CO 0.09 -0.37 -0.21 0.00 0.98 0.00 0.00 173.24 173.73 1wqk s GLY 31 N -0.62 2.44 0.30 0.00 0.00 -1.26 -0.36 107.32 107.82 1wqk s GLY 31 Ca 0.08 0.29 0.04 0.00 0.00 0.00 0.00 44.72 45.13 1wqk s GLY 31 CO -0.00 1.72 0.05 -0.47 0.00 0.00 0.00 173.10 174.39 1wqk s TYR 32 N 1.69 1.86 -0.60 1.90 5.04 -0.15 -4.91 117.35 122.18 1wqk s TYR 32 Ca 0.45 -0.96 -0.26 0.00 -2.44 0.00 0.00 57.07 53.86 1wqk s TYR 32 Cb -0.18 -1.17 -0.07 0.00 0.35 0.00 0.00 41.96 40.88 1wqk s TYR 32 CO 0.19 -0.02 2.28 -0.06 -1.34 0.00 0.00 175.55 176.59 1wqk s PHE 33 N -3.35 1.24 -1.58 4.97 0.08 -1.26 -1.61 117.98 116.46 1wqk s PHE 33 Ca 0.35 1.45 0.00 0.00 0.12 0.00 0.00 56.93 58.85 1wqk s PHE 33 Cb 0.08 -3.67 0.00 0.00 -0.57 0.00 0.00 43.02 38.85 1wqk s PHE 33 CO 0.14 -2.25 0.00 1.28 -0.10 0.00 0.00 175.22 174.29 1wqk n LEU 34 N 15.77 -1.65 -3.81 -0.37 4.32 -1.26 -4.96 117.00 125.04 1wqk n LEU 34 Ca 0.36 0.10 -0.09 0.00 -0.02 0.00 0.00 56.01 56.36 1wqk n LEU 34 Cb 0.52 -2.51 -0.04 0.00 -1.62 0.00 0.00 43.42 39.76 1wqk n LEU 34 CO 0.67 -0.38 0.22 -0.83 -1.22 0.00 0.00 177.39 175.86 1wqk s GLY 35 N -2.38 0.08 -0.09 -0.72 0.00 -0.63 -0.87 107.32 102.71 1wqk s GLY 35 Ca 0.00 -0.42 0.03 0.00 0.00 0.00 0.00 44.72 44.34 1wqk s GLY 35 CO 0.00 -0.39 -0.19 -1.50 0.00 0.00 0.00 173.10 171.02 1wqk s ILE 36 N -3.91 1.71 -0.51 0.90 2.07 0.42 -0.97 121.20 120.90 1wqk s ILE 36 Ca 0.12 -0.81 -0.20 0.00 -1.41 0.00 0.00 60.65 58.35 1wqk s ILE 36 Cb -0.01 -1.50 0.05 0.00 0.13 0.00 0.00 42.46 41.14 1wqk s ILE 36 CO -0.00 0.48 0.69 0.00 -1.91 0.00 0.00 174.94 174.19 1wqk s TYR 39 N 1.27 1.79 0.53 0.00 -0.85 -0.47 -1.18 117.35 118.44 1wqk s TYR 39 Ca 0.05 -0.46 -0.09 0.00 -0.52 0.00 0.00 57.07 56.05 1wqk s TYR 39 Cb -0.14 -0.92 -0.05 0.00 0.38 0.00 0.00 41.96 41.23 1wqk s TYR 39 CO 0.05 0.29 0.91 -1.25 -1.52 0.00 0.00 175.55 174.02 1wqk s PRO 40 N -2.56 3.64 -1.07 -3.49 0.05 -1.26 -0.35 135.00 129.95 1wqk s PRO 40 Ca 0.13 0.54 -0.22 0.00 0.05 0.00 0.00 61.00 61.50 1wqk s PRO 40 Cb -0.07 -2.23 0.01 0.00 0.05 0.00 0.00 34.50 32.26 1wqk s PRO 40 CO 0.06 -0.34 1.71 0.54 0.05 0.00 0.00 177.00 179.02 1wqk s VAL 41 N -2.86 3.78 0.00 -0.36 0.11 -0.39 -4.68 120.40 115.99 1wqk s VAL 41 Ca 0.52 -0.92 0.00 0.00 -2.93 0.00 0.00 61.98 58.65 1wqk s VAL 41 Cb -0.11 -4.74 0.00 0.00 -1.53 0.00 0.00 36.38 30.01 1wqk s VAL 41 CO 0.45 -1.55 0.00 -0.67 -3.33 0.00 0.00 175.10 170.00