#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 4.56 -3.83 2.61 -2.24 -1.26 -4.90 114.28 109.21 1wqk n THR 2 Ca 0.00 -3.19 -0.36 0.00 -2.27 0.00 0.00 64.05 58.23 1wqk n THR 2 Cb 0.00 -2.34 -0.11 0.00 -2.10 0.00 0.00 70.33 65.78 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 0.67 4.65 0.10 4.28 2.01 -1.26 -0.14 115.64 125.94 1wqk s THR 3 Ca 0.63 -0.07 0.02 0.00 0.31 0.00 0.00 61.69 62.58 1wqk s THR 3 Cb 0.20 -3.15 -0.04 0.00 0.01 0.00 0.00 72.50 69.52 1wqk s THR 3 CO -0.08 0.37 -0.07 0.00 -0.69 0.00 0.00 174.62 174.16 1wqk s TYR 5 N -3.60 2.35 -0.33 0.00 1.51 -1.26 0.09 117.35 116.11 1wqk s TYR 5 Ca 0.12 -0.40 0.04 0.00 -1.01 0.00 0.00 57.07 55.82 1wqk s TYR 5 Cb 0.05 -1.41 0.09 0.00 -0.11 0.00 0.00 41.96 40.58 1wqk s TYR 5 CO -0.05 0.12 0.02 0.00 -1.11 0.00 0.00 175.55 174.54 1wqk n GLY 7 N 4.29 1.06 0.00 0.00 0.00 -1.26 -1.51 105.19 107.76 1wqk n GLY 7 Ca 0.01 0.38 0.00 0.00 0.00 0.00 0.00 46.02 46.41 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 6.09 -3.49 1.61 2.85 -1.26 -5.03 118.16 118.93 1wqk n LYS 8 Ca 0.00 -0.00 -0.37 0.00 -1.05 0.00 0.00 58.31 56.89 1wqk n LYS 8 Cb 0.00 -0.44 -0.07 0.00 -0.65 0.00 0.00 35.03 33.87 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 -0.87 5.27 0.03 0.58 2.01 -0.57 -5.06 115.64 117.04 1wqk s THR 9 Ca 0.00 0.60 -0.28 0.00 0.31 0.00 0.00 61.69 62.32 1wqk s THR 9 Cb 0.00 -3.66 -0.05 0.00 0.01 0.00 0.00 72.50 68.80 1wqk s THR 9 CO 0.00 0.35 0.88 -0.51 -0.69 0.00 0.00 174.62 174.64 1wqk s ILE 10 N 0.73 4.75 0.34 1.82 1.10 -1.26 -0.25 121.20 128.44 1wqk s ILE 10 Ca 0.17 1.86 0.06 0.00 -0.51 0.00 0.00 60.65 62.23 1wqk s ILE 10 Cb -0.14 -4.23 -0.02 0.00 0.15 0.00 0.00 42.46 38.22 1wqk s ILE 10 CO 0.05 0.27 0.32 -0.83 -2.11 0.00 0.00 174.94 172.65 1wqk s GLY 11 N 0.40 2.25 -0.08 1.50 0.00 0.11 -0.27 107.32 111.23 1wqk s GLY 11 Ca 0.45 -2.01 0.01 0.00 0.00 0.00 0.00 44.72 43.17 1wqk s GLY 11 CO 0.26 -1.40 -0.09 -1.50 0.00 0.00 0.00 173.10 170.37 1wqk s ILE 12 N -3.31 3.49 -0.62 0.90 -1.16 0.26 -1.51 121.20 119.24 1wqk s ILE 12 Ca 0.39 -0.55 -0.22 0.00 -0.51 0.00 0.00 60.65 59.77 1wqk s ILE 12 Cb 0.02 -2.43 0.07 0.00 0.61 0.00 0.00 42.46 40.73 1wqk s ILE 12 CO 0.27 0.58 0.89 -0.47 -2.81 0.00 0.00 174.94 173.40 1wqk s TYR 13 N -0.53 2.78 -1.18 3.50 5.04 0.80 -0.84 117.35 126.91 1wqk s TYR 13 Ca 0.08 -0.57 -0.18 0.00 -2.44 0.00 0.00 57.07 53.95 1wqk s TYR 13 Cb -0.12 -4.16 0.09 0.00 0.35 0.00 0.00 41.96 38.13 1wqk s TYR 13 CO 0.02 -1.50 1.55 -1.58 -1.34 0.00 0.00 175.55 172.70 1wqk s TRP 14 N 3.68 2.90 -0.75 4.97 0.52 0.95 -4.86 118.94 126.35 1wqk s TRP 14 Ca 0.20 -1.53 -0.26 0.00 0.02 0.00 0.00 56.10 54.54 1wqk s TRP 14 Cb -0.18 -4.61 -0.01 0.00 -1.15 0.00 0.00 33.47 27.52 1wqk s TRP 14 CO 0.11 -1.73 1.69 0.12 0.02 0.00 0.00 176.95 177.16 1wqk s PHE 15 N 3.72 1.93 0.00 -1.98 5.36 -1.26 -1.33 117.98 124.42 1wqk s PHE 15 Ca 0.48 0.38 0.00 0.00 -0.96 0.00 0.00 56.93 56.82 1wqk s PHE 15 Cb 0.01 -4.28 0.00 0.00 -0.34 0.00 0.00 43.02 38.41 1wqk s PHE 15 CO 0.01 -2.10 0.00 0.41 -1.46 0.00 0.00 175.22 172.08 1wqk n GLY 16 N 5.98 0.88 3.91 13.12 0.00 -1.01 -4.95 105.19 123.13 1wqk n GLY 16 Ca 0.21 0.02 -0.27 0.00 0.00 0.00 0.00 46.02 45.99 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 4.44 -0.59 2.61 -1.32 -1.24 -4.76 115.64 114.79 1wqk s THR 17 Ca 0.00 0.11 0.09 0.00 -1.21 0.00 0.00 61.69 60.68 1wqk s THR 17 Cb 0.00 -3.71 0.24 0.00 -1.51 0.00 0.00 72.50 67.52 1wqk s THR 17 CO 0.00 -0.70 1.20 1.17 -2.21 0.00 0.00 174.62 174.08 1wqk n LYS 18 N -2.37 2.86 -4.64 7.08 4.81 -1.26 -2.90 118.16 121.74 1wqk n LYS 18 Ca 0.02 -1.99 -0.23 0.00 -0.87 0.00 0.00 58.31 55.23 1wqk n LYS 18 Cb 0.56 -1.25 -0.16 0.00 0.02 0.00 0.00 35.03 34.20 1wqk n LYS 18 CO 0.00 0.00 0.00 0.99 1.17 0.00 0.00 177.40 179.56 1wqk s THR 19 N -1.22 1.14 -0.06 3.15 2.01 -1.26 -4.95 115.64 114.45 1wqk s THR 19 Ca 0.19 -0.56 -0.30 0.00 0.31 0.00 0.00 61.69 61.33 1wqk s THR 19 Cb 0.11 -0.99 -0.02 0.00 0.01 0.00 0.00 72.50 71.61 1wqk s THR 19 CO 0.11 0.34 1.00 0.00 -0.69 0.00 0.00 174.62 175.37 1wqk n PRO 21 N 4.53 2.26 -1.35 0.00 -0.02 -1.26 -4.86 135.00 134.29 1wqk n PRO 21 Ca 0.08 -2.71 -0.38 0.00 -2.02 0.00 0.00 63.50 58.46 1wqk n PRO 21 Cb 0.50 -3.54 -0.02 0.00 -0.02 0.00 0.00 33.50 30.42 1wqk n PRO 21 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 1wqk n SER 22 N 10.97 6.81 0.00 2.55 2.88 -1.26 -3.78 113.62 131.80 1wqk n SER 22 Ca 0.47 -2.62 0.00 0.00 -1.33 0.00 0.00 58.87 55.40 1wqk n SER 22 Cb 0.45 -1.52 0.00 0.00 -0.75 0.00 0.00 64.21 62.40 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 4.48 1.44 0.00 -3.46 0.23 -1.26 -4.86 115.26 111.82 1wqk n ASN 23 Ca 0.67 -1.46 0.00 0.00 -0.53 0.00 0.00 54.58 53.26 1wqk n ASN 23 Cb 0.27 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 37.97 1wqk n ASN 23 CO 0.00 0.00 0.00 0.54 -0.93 0.00 0.00 177.26 176.87 1wqk n ARG 24 N -0.23 0.00 0.00 -3.83 3.00 -1.25 -5.03 116.66 109.32 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 0.12 0.00 0.00 0.00 0.00 0.00 0.00 32.46 32.58 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 3.07 0.87 3.70 -0.13 0.00 0.84 -5.06 105.19 108.48 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 2.57 -0.07 1.61 2.02 -1.04 -4.38 117.35 118.06 1wqk s TYR 26 Ca 0.00 0.27 0.01 0.00 -0.37 0.00 0.00 57.07 56.98 1wqk s TYR 26 Cb 0.00 -4.07 -0.05 0.00 -0.40 0.00 0.00 41.96 37.44 1wqk s TYR 26 CO 0.00 -4.24 -0.05 0.25 -1.57 0.00 0.00 175.55 169.94 1wqk n THR 27 N 4.40 0.39 -4.40 -0.71 -2.24 -0.44 -4.71 114.28 106.58 1wqk n THR 27 Ca 0.16 -0.16 -0.25 0.00 -2.27 0.00 0.00 64.05 61.54 1wqk n THR 27 Cb 0.38 -0.75 -0.10 0.00 -2.10 0.00 0.00 70.33 67.76 1wqk n THR 27 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 1wqk s GLY 28 N -4.57 1.78 0.10 3.38 0.00 0.15 -5.01 107.32 103.16 1wqk s GLY 28 Ca -0.09 -1.72 0.08 0.00 0.00 0.00 0.00 44.72 42.99 1wqk s GLY 28 CO 0.16 -1.79 -0.22 -1.35 0.00 0.00 0.00 173.10 169.91 1wqk s SER 29 N -3.25 2.62 -0.15 1.64 1.04 -1.26 -0.93 113.70 113.42 1wqk s SER 29 Ca 0.27 -0.69 -0.02 0.00 0.48 0.00 0.00 55.95 55.99 1wqk s SER 29 Cb -0.06 -0.15 0.04 0.00 0.10 0.00 0.00 66.02 65.95 1wqk s SER 29 CO 0.15 0.07 0.00 0.00 0.98 0.00 0.00 173.24 174.44 1wqk s GLY 31 N 1.84 1.32 0.38 0.00 0.00 -1.26 0.12 107.32 109.71 1wqk s GLY 31 Ca 0.01 1.48 0.04 0.00 0.00 0.00 0.00 44.72 46.25 1wqk s GLY 31 CO -0.07 3.01 0.09 -0.19 0.00 0.00 0.00 173.10 175.94 1wqk s TYR 32 N 2.10 1.88 -0.69 1.90 1.51 -0.26 -4.85 117.35 118.93 1wqk s TYR 32 Ca 0.78 -1.11 -0.26 0.00 -1.01 0.00 0.00 57.07 55.47 1wqk s TYR 32 Cb -0.47 -1.26 -0.06 0.00 -0.11 0.00 0.00 41.96 40.06 1wqk s TYR 32 CO 0.34 -0.11 2.13 -0.06 -1.11 0.00 0.00 175.55 176.74 1wqk s PHE 33 N -3.22 1.45 -1.49 2.71 0.08 -1.26 -1.68 117.98 114.57 1wqk s PHE 33 Ca 0.28 1.18 0.00 0.00 0.12 0.00 0.00 56.93 58.51 1wqk s PHE 33 Cb 0.05 -3.82 0.00 0.00 -0.57 0.00 0.00 43.02 38.68 1wqk s PHE 33 CO 0.14 -2.07 0.00 1.28 -0.10 0.00 0.00 175.22 174.47 1wqk n LEU 34 N 15.05 -1.60 0.00 -0.37 4.77 -1.26 -4.94 117.00 128.65 1wqk n LEU 34 Ca 0.35 0.10 -0.06 0.00 -0.03 0.00 0.00 56.01 56.37 1wqk n LEU 34 Cb 0.50 -2.40 0.01 0.00 -2.33 0.00 0.00 43.42 39.20 1wqk n LEU 34 CO 0.65 -0.36 0.28 0.61 -1.33 0.00 0.00 177.39 177.25 1wqk n GLY 35 N -1.00 1.56 2.85 -0.72 0.00 -0.67 -2.39 105.19 104.81 1wqk n GLY 35 Ca -0.19 -1.21 -0.18 0.00 0.00 0.00 0.00 46.02 44.44 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 -2.50 0.32 -0.55 -0.61 2.07 -0.44 -1.11 121.20 118.39 1wqk s ILE 36 Ca 0.11 -0.00 -0.20 0.00 -1.41 0.00 0.00 60.65 59.15 1wqk s ILE 36 Cb -0.03 -0.38 0.07 0.00 0.13 0.00 0.00 42.46 42.25 1wqk s ILE 36 CO 0.08 0.17 0.70 0.00 -1.91 0.00 0.00 174.94 173.98 1wqk s TYR 39 N 1.59 1.58 0.94 0.00 -0.85 -0.10 -0.58 117.35 119.93 1wqk s TYR 39 Ca 0.24 -0.43 -0.12 0.00 -0.52 0.00 0.00 57.07 56.24 1wqk s TYR 39 Cb -0.15 -0.87 0.15 0.00 0.38 0.00 0.00 41.96 41.46 1wqk s TYR 39 CO 0.10 0.15 1.09 -2.14 -1.52 0.00 0.00 175.55 173.23 1wqk s PRO 40 N -1.87 0.93 -0.93 -3.49 0.02 -1.26 -0.67 135.00 127.73 1wqk s PRO 40 Ca 0.04 0.82 -0.18 0.00 0.02 0.00 0.00 61.00 61.69 1wqk s PRO 40 Cb -0.10 -1.77 -0.11 0.00 0.02 0.00 0.00 34.50 32.54 1wqk s PRO 40 CO 0.04 -2.47 2.02 1.55 -0.33 0.00 0.00 177.00 177.81 1wqk n VAL 41 N -4.04 2.23 -0.75 3.83 3.14 0.62 -4.28 118.33 119.08 1wqk n VAL 41 Ca 0.07 -1.84 0.00 0.00 -2.96 0.00 0.00 64.34 59.60 1wqk n VAL 41 Cb 0.55 -2.36 0.00 0.00 -1.06 0.00 0.00 33.84 30.98 1wqk n VAL 41 CO 0.00 0.00 0.00 -0.67 -6.46 0.00 0.00 176.83 169.70