#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1hfn n GLY 2 N 0.00 0.22 2.86 -3.96 0.00 -1.26 -5.06 105.19 97.99 1hfn n GLY 2 Ca 0.00 -0.27 -0.30 0.00 0.00 0.00 0.00 46.02 45.45 1hfn n GLY 2 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1hfn s ALA 3 N -2.93 2.33 -0.20 4.61 0.00 -1.26 -5.06 121.76 119.26 1hfn s ALA 3 Ca 0.00 -2.32 -0.04 0.00 0.00 0.00 0.00 51.96 49.60 1hfn s ALA 3 Cb 0.00 -1.85 0.09 0.00 0.00 0.00 0.00 23.12 21.35 1hfn s ALA 3 CO 0.00 -1.78 0.20 0.45 0.00 0.00 0.00 175.76 174.63 1hfn s SER 4 N 0.93 1.53 0.00 0.00 0.15 -1.26 -4.92 113.70 110.13 1hfn s SER 4 Ca 0.12 -0.29 0.00 0.00 0.70 0.00 0.00 55.95 56.49 1hfn s SER 4 Cb -0.20 0.29 0.00 0.00 -1.71 0.00 0.00 66.02 64.40 1hfn s SER 4 CO -0.12 -0.33 0.00 1.87 1.20 0.00 0.00 173.24 175.86 1hfn n TRP 5 N 5.31 -0.02 -1.99 3.44 -0.00 -1.26 -5.15 117.44 117.77 1hfn n TRP 5 Ca -0.06 0.00 -0.11 0.00 -0.00 0.00 0.00 57.50 57.33 1hfn n TRP 5 Cb 0.49 0.00 0.07 0.00 -0.00 0.00 0.00 31.31 31.87 1hfn n TRP 5 CO 0.00 0.00 0.00 0.72 -0.00 0.00 0.00 177.69 178.41 1hfn n HIS 6 N -0.71 -3.52 -2.70 5.87 8.25 -1.26 -4.85 115.22 116.31 1hfn n HIS 6 Ca 0.00 -0.65 -0.01 0.00 -0.26 0.00 0.00 57.72 56.81 1hfn n HIS 6 Cb 0.00 -0.36 0.00 0.00 1.12 0.00 0.00 29.99 30.75 1hfn n HIS 6 CO 0.00 0.00 0.00 -2.13 0.64 0.00 0.00 176.34 174.85 1hfn n ARG 7 N -1.95 -3.38 -1.99 -0.41 0.00 -1.26 -5.02 116.66 102.64 1hfn n ARG 7 Ca 0.07 2.72 -0.29 0.00 -0.00 0.00 0.00 57.85 60.35 1hfn n ARG 7 Cb 0.25 -5.33 0.20 0.00 0.00 0.00 0.00 32.46 27.58 1hfn n ARG 7 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.63 177.28 1hfn n PRO 8 N 0.63 -1.17 -1.23 -0.14 -0.04 -1.26 -4.98 135.00 126.80 1hfn n PRO 8 Ca 0.01 -2.15 -0.24 0.00 -0.04 0.00 0.00 63.50 61.07 1hfn n PRO 8 Cb 0.03 -1.30 0.16 0.00 -0.04 0.00 0.00 33.50 32.35 1hfn n PRO 8 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 1hfn n ASP 9 N -3.76 4.54 -2.66 3.54 9.92 -1.26 -4.95 116.55 121.93 1hfn n ASP 9 Ca 0.17 -3.68 -0.07 0.00 -0.53 0.00 0.00 54.79 50.68 1hfn n ASP 9 Cb 0.58 -0.84 -0.01 0.00 -0.64 0.00 0.00 41.12 40.21 1hfn n ASP 9 CO 0.00 0.00 0.00 1.17 0.13 0.00 0.00 177.20 178.50 1hfn n LYS 10 N -1.08 1.60 -0.55 -1.24 3.00 -1.26 -5.07 118.16 113.55 1hfn n LYS 10 Ca 0.57 -0.88 0.07 0.00 -0.00 0.00 0.00 58.31 58.08 1hfn n LYS 10 Cb 1.36 0.20 -0.02 0.00 0.00 0.00 0.00 35.03 36.57 1hfn n LYS 10 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1hfn h LEU 13 N 7.85 0.26 -9.32 0.00 4.07 -1.92 -3.44 115.31 112.81 1hfn h LEU 13 Ca -0.16 -0.17 -0.51 0.00 0.08 0.00 0.00 57.88 57.13 1hfn h LEU 13 Cb 1.15 -0.08 -0.14 0.00 1.08 0.00 0.00 40.66 42.68 1hfn h LEU 13 CO 0.01 0.87 -0.61 -0.83 -1.08 0.00 0.00 178.44 176.80 1hfn s GLY 14 N -4.38 2.18 0.29 0.83 0.00 -1.26 -5.11 107.32 99.86 1hfn s GLY 14 Ca -0.04 -2.11 0.02 0.00 0.00 0.00 0.00 44.72 42.60 1hfn s GLY 14 CO 0.81 -1.88 0.08 -1.72 0.00 0.00 0.00 173.10 170.39 1hfn n TYR 15 N -0.75 0.24 -0.19 1.90 4.02 -1.26 -4.78 117.16 116.34 1hfn n TYR 15 Ca -0.03 -1.78 -0.07 0.00 -0.01 0.00 0.00 57.90 56.01 1hfn n TYR 15 Cb 0.67 -0.05 0.02 0.00 -0.02 0.00 0.00 39.34 39.96 1hfn n TYR 15 CO 0.00 0.00 0.00 0.37 -1.01 0.00 0.00 176.86 176.22 1hfn h GLN 16 N 0.00 0.74 0.00 -0.72 -0.00 -1.45 -3.47 115.11 110.22 1hfn h GLN 16 Ca -0.23 -0.08 0.00 0.00 -0.00 0.00 0.00 58.65 58.34 1hfn h GLN 16 Cb 0.84 -0.15 0.00 0.00 0.00 0.00 0.00 27.48 28.17 1hfn h GLN 16 CO 0.37 0.56 0.00 1.17 0.00 0.00 0.00 178.83 180.94 1hfn n LYS 17 N -4.64 0.00 -3.96 1.69 4.81 -1.26 -4.96 118.16 109.84 1hfn n LYS 17 Ca 0.03 0.00 -0.21 0.00 -0.87 0.00 0.00 58.31 57.26 1hfn n LYS 17 Cb 0.07 0.00 -0.03 0.00 0.02 0.00 0.00 35.03 35.10 1hfn n LYS 17 CO 0.00 0.00 0.00 1.03 1.17 0.00 0.00 177.40 179.60 1hfn s ARG 18 N 0.00 3.25 0.15 1.64 3.00 -1.26 -5.10 118.95 120.63 1hfn s ARG 18 Ca 0.00 -0.88 -0.26 0.00 0.00 0.00 0.00 55.73 54.59 1hfn s ARG 18 Cb 0.00 -2.78 -0.08 0.00 0.00 0.00 0.00 34.95 32.09 1hfn s ARG 18 CO 0.00 0.38 0.79 -1.25 0.00 0.00 0.00 175.30 175.22 1hfn s PRO 19 N -3.96 4.59 0.08 3.54 0.04 -1.26 -5.08 135.00 132.95 1hfn s PRO 19 Ca 0.35 1.18 0.04 0.00 0.04 0.00 0.00 61.00 62.61 1hfn s PRO 19 Cb -0.09 -3.28 -0.04 0.00 0.04 0.00 0.00 34.50 31.13 1hfn s PRO 19 CO 0.28 0.52 0.04 -0.51 0.04 0.00 0.00 177.00 177.36 1hfn s LEU 20 N -0.97 3.62 0.04 -3.56 1.43 -1.26 -5.10 118.68 112.87 1hfn s LEU 20 Ca 0.37 -0.09 -0.26 0.00 -1.03 0.00 0.00 54.13 53.12 1hfn s LEU 20 Cb -0.23 -2.31 -0.05 0.00 0.03 0.00 0.00 46.19 43.63 1hfn s LEU 20 CO 0.26 0.18 0.83 -2.16 0.23 0.00 0.00 176.35 175.69 1hfn s PRO 21 N -2.29 4.54 0.00 1.29 0.04 -1.26 -4.94 135.00 132.38 1hfn s PRO 21 Ca 0.27 1.17 0.18 0.00 0.04 0.00 0.00 61.00 62.65 1hfn s PRO 21 Cb -0.12 -3.39 0.79 0.00 0.04 0.00 0.00 34.50 31.83 1hfn s PRO 21 CO 0.19 0.20 1.56 0.94 0.04 0.00 0.00 177.00 179.93 1hfn n GLN 22 N 3.07 0.07 0.17 4.56 0.00 -1.26 -3.34 117.38 120.63 1hfn n GLN 22 Ca -0.00 0.18 0.18 0.00 -0.00 0.00 0.00 57.00 57.36 1hfn n GLN 22 Cb 0.50 -1.50 0.75 0.00 0.00 0.00 0.00 30.24 29.99 1hfn n GLN 22 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 177.06 176.82 1hfn h VAL 23 N 0.00 0.24 0.00 1.69 3.04 -2.06 -1.98 116.25 117.17 1hfn h VAL 23 Ca 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.69 1hfn h VAL 23 Cb 0.27 0.62 0.00 0.00 -2.01 0.00 0.00 31.29 30.17 1hfn h VAL 23 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.57 176.56 1hfn n LEU 24 N -3.41 0.61 -4.80 3.16 -0.00 -1.21 -5.08 117.00 106.27 1hfn n LEU 24 Ca 0.05 -0.61 -0.29 0.00 -0.00 0.00 0.00 56.01 55.16 1hfn n LEU 24 Cb 0.57 0.00 0.13 0.00 -0.00 0.00 0.00 43.42 44.12 1hfn n LEU 24 CO 0.22 0.15 0.73 -0.22 -0.00 0.00 0.00 177.39 178.27 1hfn s LEU 25 N -0.01 2.07 0.00 1.47 2.96 -0.75 -2.27 118.68 122.16 1hfn s LEU 25 Ca 0.00 0.93 0.00 0.00 -0.22 0.00 0.00 54.13 54.84 1hfn s LEU 25 Cb 0.00 -3.26 0.00 0.00 0.50 0.00 0.00 46.19 43.43 1hfn s LEU 25 CO 0.00 -2.49 0.00 -0.24 -1.32 0.00 0.00 176.35 172.30 1hfn n SER 26 N -3.72 1.44 -1.52 3.68 2.88 -1.03 -4.37 113.62 110.97 1hfn n SER 26 Ca 0.07 0.00 0.01 0.00 -1.33 0.00 0.00 58.87 57.61 1hfn n SER 26 Cb 0.59 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.06 1hfn n SER 26 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 1hfn n SER 27 N -2.43 -0.21 -3.92 -3.46 3.41 -1.04 -4.82 113.62 101.15 1hfn n SER 27 Ca 0.00 -1.04 -0.10 0.00 -0.26 0.00 0.00 58.87 57.47 1hfn n SER 27 Cb 0.32 0.33 -0.11 0.00 -0.26 0.00 0.00 64.21 64.49 1hfn n SER 27 CO 0.00 0.00 0.00 -1.66 -0.16 0.00 0.00 175.04 173.22 1hfn s TRP 28 N -2.77 0.12 -0.02 7.33 1.48 -1.26 -0.74 118.94 123.08 1hfn s TRP 28 Ca 0.06 -0.27 0.04 0.00 -1.06 0.00 0.00 56.10 54.87 1hfn s TRP 28 Cb -0.00 -0.10 -0.01 0.00 -1.16 0.00 0.00 33.47 32.20 1hfn s TRP 28 CO -0.00 -0.21 -0.15 1.52 -4.06 0.00 0.00 176.95 174.05 1hfn s TYR 29 N -1.23 1.38 0.36 1.66 -0.85 -0.77 -2.76 117.35 115.14 1hfn s TYR 29 Ca -0.13 -0.29 -0.21 0.00 -0.52 0.00 0.00 57.07 55.92 1hfn s TYR 29 Cb -0.08 -0.90 -0.10 0.00 0.38 0.00 0.00 41.96 41.26 1hfn s TYR 29 CO 0.00 -0.05 0.88 -1.25 -1.52 0.00 0.00 175.55 173.62 1hfn s PRO 30 N -0.26 4.28 0.79 -3.49 0.04 -1.26 -2.21 135.00 132.88 1hfn s PRO 30 Ca 0.04 1.06 -0.13 0.00 0.04 0.00 0.00 61.00 62.01 1hfn s PRO 30 Cb -0.07 -2.48 0.20 0.00 0.04 0.00 0.00 34.50 32.19 1hfn s PRO 30 CO -0.00 0.14 0.69 0.25 0.04 0.00 0.00 177.00 178.12 1hfn n THR 31 N -0.10 0.00 0.00 1.26 -2.24 -1.18 -4.95 114.28 107.07 1hfn n THR 31 Ca 0.04 -0.29 0.00 0.00 -2.27 0.00 0.00 64.05 61.52 1hfn n THR 31 Cb 0.52 -1.13 0.00 0.00 -2.10 0.00 0.00 70.33 67.63 1hfn n THR 31 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 1hfn n SER 32 N -4.21 0.00 0.00 3.42 7.64 -1.26 -5.05 113.62 114.16 1hfn n SER 32 Ca 0.10 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.98 1hfn n SER 32 Cb 0.37 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.57 1hfn n SER 32 CO 0.00 0.00 0.00 1.67 -3.01 0.00 0.00 175.04 173.70 1hfn n GLN 33 N -0.02 0.00 0.10 1.43 -0.06 -1.26 -4.97 117.38 112.60 1hfn n GLN 33 Ca 0.00 0.00 0.20 0.00 -2.00 0.00 0.00 57.00 55.20 1hfn n GLN 33 Cb 0.00 0.00 0.73 0.00 -4.06 0.00 0.00 30.24 26.91 1hfn n GLN 33 CO 0.00 0.00 0.00 -0.07 -0.20 0.00 0.00 177.06 176.79 1hfn h LEU 34 N 0.00 0.00-10.09 1.69 -0.00 -2.06 -3.42 115.31 101.43 1hfn h LEU 34 Ca 0.00 0.00 -0.56 0.00 -0.00 0.00 0.00 57.88 57.32 1hfn h LEU 34 Cb 0.00 0.00 0.15 0.00 -0.00 0.00 0.00 40.66 40.81 1hfn h LEU 34 CO 0.00 0.00 0.55 0.00 -0.00 0.00 0.00 178.44 178.99 1hfn h SER 36 N 0.82 -0.35 -2.40 0.00 0.87 -1.98 -3.40 113.55 107.12 1hfn h SER 36 Ca -0.51 -0.15 -0.60 0.00 -1.23 0.00 0.00 61.79 59.31 1hfn h SER 36 Cb 1.33 0.09 -0.41 0.00 -0.44 0.00 0.00 62.40 62.97 1hfn h SER 36 CO 0.54 0.12 -0.75 2.29 -0.53 0.00 0.00 176.83 178.51 1hfn n LYS 37 N -5.06 1.67 -0.12 2.24 2.85 -1.26 -5.10 118.16 113.38 1hfn n LYS 37 Ca -0.08 -4.13 0.00 0.00 -1.05 0.00 0.00 58.31 53.05 1hfn n LYS 37 Cb 0.24 -1.97 0.00 0.00 -0.65 0.00 0.00 35.03 32.65 1hfn n LYS 37 CO 0.00 0.00 0.00 -0.35 -0.05 0.00 0.00 177.40 177.00 1hfn n PRO 38 N 1.50 0.47 0.00 -1.58 -0.04 -1.26 -4.68 135.00 129.40 1hfn n PRO 38 Ca 0.26 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.72 1hfn n PRO 38 Cb 0.43 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.89 1hfn n PRO 38 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1hfn n GLY 39 N 5.00 0.74 3.27 0.55 0.00 -1.26 -4.94 105.19 108.54 1hfn n GLY 39 Ca 0.00 0.45 -0.10 0.00 0.00 0.00 0.00 46.02 46.37 1hfn n GLY 39 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1hfn s VAL 40 N 2.51 -0.07 -0.16 1.61 1.01 -1.09 -3.08 120.40 121.12 1hfn s VAL 40 Ca 0.00 0.10 -0.16 0.00 0.00 0.00 0.00 61.98 61.92 1hfn s VAL 40 Cb 0.00 -0.61 -0.04 0.00 0.00 0.00 0.00 36.38 35.73 1hfn s VAL 40 CO 0.00 0.04 0.39 -0.63 0.00 0.00 0.00 175.10 174.90 1hfn s ILE 41 N 1.49 5.23 0.69 2.22 1.09 -0.94 0.89 121.20 131.89 1hfn s ILE 41 Ca -0.09 0.73 -0.11 0.00 -1.10 0.00 0.00 60.65 60.08 1hfn s ILE 41 Cb -0.09 -3.72 0.01 0.00 -1.06 0.00 0.00 42.46 37.60 1hfn s ILE 41 CO -0.13 0.32 1.07 -0.36 -0.10 0.00 0.00 174.94 175.75 1hfn s PHE 42 N 0.79 3.28 -0.32 3.97 0.08 0.22 -1.84 117.98 124.16 1hfn s PHE 42 Ca 0.20 1.22 -0.02 0.00 0.12 0.00 0.00 56.93 58.46 1hfn s PHE 42 Cb -0.14 -2.93 0.12 0.00 -0.57 0.00 0.00 43.02 39.49 1hfn s PHE 42 CO 0.07 -1.15 0.17 -0.51 -0.10 0.00 0.00 175.22 173.69 1hfn s LEU 43 N -5.42 0.88 0.94 -0.37 1.43 0.08 -2.63 118.68 113.59 1hfn s LEU 43 Ca 0.58 -1.72 -0.11 0.00 -1.03 0.00 0.00 54.13 51.84 1hfn s LEU 43 Cb -0.12 -0.42 0.16 0.00 0.03 0.00 0.00 46.19 45.84 1hfn s LEU 43 CO 0.54 -0.38 1.09 0.42 0.23 0.00 0.00 176.35 178.25 1hfn s THR 44 N 1.59 2.46 0.08 5.49 -4.23 -1.07 -2.46 115.64 117.50 1hfn s THR 44 Ca 0.13 0.15 -0.34 0.00 -1.18 0.00 0.00 61.69 60.45 1hfn s THR 44 Cb -0.19 -2.47 -0.18 0.00 1.34 0.00 0.00 72.50 71.00 1hfn s THR 44 CO -0.19 -0.20 1.60 0.11 -0.54 0.00 0.00 174.62 175.40 1hfn h LYS 45 N -1.79 -0.93 0.00 3.99 1.57 -1.65 -3.38 116.57 114.37 1hfn h LYS 45 Ca -0.50 0.06 0.00 0.00 -1.87 0.00 0.00 60.65 58.34 1hfn h LYS 45 Cb 1.29 0.21 0.00 0.00 0.08 0.00 0.00 32.23 33.81 1hfn h LYS 45 CO 0.51 -0.62 0.00 -2.13 -0.57 0.00 0.00 179.45 176.64 1hfn n ARG 46 N -5.53 -0.25 0.00 3.15 0.63 -1.26 -5.00 116.66 108.39 1hfn n ARG 46 Ca -0.13 -0.37 0.00 0.00 -0.92 0.00 0.00 57.85 56.43 1hfn n ARG 46 Cb 0.41 -0.77 0.00 0.00 0.45 0.00 0.00 32.46 32.56 1hfn n ARG 46 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1hfn n GLY 47 N -0.03 1.24 1.40 5.14 0.00 -1.26 -5.11 105.19 106.55 1hfn n GLY 47 Ca 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 45.97 1hfn n GLY 47 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1hfn n ARG 48 N 0.00 0.34 -3.67 1.61 1.74 -1.26 -4.94 116.66 110.48 1hfn n ARG 48 Ca 0.00 -1.03 -0.27 0.00 -0.77 0.00 0.00 57.85 55.78 1hfn n ARG 48 Cb 0.00 1.09 -0.03 0.00 -1.02 0.00 0.00 32.46 32.50 1hfn n ARG 48 CO 0.00 0.00 0.00 -0.65 -1.52 0.00 0.00 177.63 175.46 1hfn s GLN 49 N -2.22 3.51 -0.17 5.56 -0.21 -1.26 -2.61 119.66 122.27 1hfn s GLN 49 Ca 0.10 -0.36 -0.09 0.00 0.02 0.00 0.00 55.36 55.03 1hfn s GLN 49 Cb -0.01 -2.82 0.06 0.00 1.00 0.00 0.00 33.01 31.24 1hfn s GLN 49 CO 0.07 0.37 0.40 0.08 -2.12 0.00 0.00 175.29 174.10 1hfn s VAL 50 N -1.93 -0.03 -0.11 1.09 1.01 -1.08 -4.90 120.40 114.46 1hfn s VAL 50 Ca 0.38 0.09 -0.30 0.00 0.00 0.00 0.00 61.98 62.16 1hfn s VAL 50 Cb -0.11 -0.60 -0.03 0.00 0.00 0.00 0.00 36.38 35.64 1hfn s VAL 50 CO 0.30 0.04 1.38 0.00 0.00 0.00 0.00 175.10 176.81 1hfn s ALA 52 N 3.42 3.27 -0.27 0.00 0.00 0.26 -1.06 121.76 127.38 1hfn s ALA 52 Ca 0.61 -0.94 -0.11 0.00 0.00 0.00 0.00 51.96 51.52 1hfn s ALA 52 Cb -0.26 -1.35 -0.05 0.00 0.00 0.00 0.00 23.12 21.46 1hfn s ALA 52 CO 0.20 0.64 0.18 -0.51 0.00 0.00 0.00 175.76 176.27 1hfn s ASP 53 N -1.47 6.02 0.54 0.00 1.01 -1.26 -2.69 116.67 118.82 1hfn s ASP 53 Ca 0.19 0.01 0.22 0.00 0.71 0.00 0.00 52.55 53.67 1hfn s ASP 53 Cb -0.11 -2.11 1.42 0.00 1.01 0.00 0.00 42.92 43.12 1hfn s ASP 53 CO 0.09 -0.03 2.11 0.07 0.21 0.00 0.00 175.17 177.62 1hfn h LYS 54 N 8.21 0.00 -0.08 8.23 2.10 -1.95 0.11 116.57 133.19 1hfn h LYS 54 Ca -0.36 0.00 -0.00 0.00 -2.00 0.00 0.00 60.65 58.29 1hfn h LYS 54 Cb 1.19 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 32.51 1hfn h LYS 54 CO 0.57 0.00 0.04 0.77 -2.00 0.00 0.00 179.45 178.83 1hfn h SER 55 N 0.00 0.09 -3.06 7.07 0.02 -2.00 -3.44 113.55 112.23 1hfn h SER 55 Ca 0.08 -0.00 -0.39 0.00 -0.84 0.00 0.00 61.79 60.64 1hfn h SER 55 Cb 0.35 -0.02 0.22 0.00 0.14 0.00 0.00 62.40 63.09 1hfn h SER 55 CO -0.00 0.07 -0.11 -0.54 -1.14 0.00 0.00 176.83 175.12 1hfn s LYS 56 N -5.13 -2.81 -0.09 3.45 -0.14 0.02 -4.99 119.74 110.04 1hfn s LYS 56 Ca -0.06 0.17 0.09 0.00 -1.36 0.00 0.00 55.97 54.81 1hfn s LYS 56 Cb 0.17 -1.39 -0.13 0.00 -1.68 0.00 0.00 37.83 34.81 1hfn s LYS 56 CO 0.68 -4.81 0.05 -0.25 -0.76 0.00 0.00 175.35 170.27 1hfn n ASP 57 N -5.59 2.54 0.13 2.83 8.00 -1.26 -4.35 116.55 118.86 1hfn n ASP 57 Ca 0.12 0.00 0.01 0.00 0.71 0.00 0.00 54.79 55.63 1hfn n ASP 57 Cb 0.60 0.81 0.08 0.00 -0.02 0.00 0.00 41.12 42.59 1hfn n ASP 57 CO 0.00 0.00 0.00 4.11 -0.39 0.00 0.00 177.20 180.92 1hfn h TRP 58 N 0.00 0.00 -0.05 1.24 5.08 -1.94 -3.04 115.95 117.24 1hfn h TRP 58 Ca -0.25 0.00 -0.18 0.00 1.08 0.00 0.00 58.89 59.54 1hfn h TRP 58 Cb 1.52 0.00 -0.01 0.00 -3.00 0.00 0.00 29.16 27.67 1hfn h TRP 58 CO 0.00 0.59 -0.74 0.28 -1.28 0.00 0.00 178.44 177.29 1hfn h VAL 59 N 0.00 1.41 -0.39 0.12 2.07 -1.83 -2.84 116.25 114.80 1hfn h VAL 59 Ca -0.01 -2.23 -0.06 0.00 0.82 0.00 0.00 66.70 65.22 1hfn h VAL 59 Cb 1.32 2.19 -0.01 0.00 -1.52 0.00 0.00 31.29 33.27 1hfn h VAL 59 CO 0.08 0.66 -0.01 0.50 0.02 0.00 0.00 177.57 178.82 1hfn h LYS 60 N 0.20 0.69 -0.38 1.57 3.64 -1.74 -0.65 116.57 119.90 1hfn h LYS 60 Ca -0.03 -0.22 -0.00 0.00 -1.27 0.00 0.00 60.65 59.12 1hfn h LYS 60 Cb 1.31 -0.06 -0.02 0.00 -0.41 0.00 0.00 32.23 33.06 1hfn h LYS 60 CO 0.12 0.79 0.23 -0.22 -2.27 0.00 0.00 179.45 178.10 1hfn h LYS 61 N 0.51 0.52 -0.44 1.90 3.64 -1.53 -1.80 116.57 119.37 1hfn h LYS 61 Ca 0.11 -0.04 -0.02 0.00 -1.27 0.00 0.00 60.65 59.43 1hfn h LYS 61 Cb 0.49 -0.11 -0.02 0.00 -0.41 0.00 0.00 32.23 32.18 1hfn h LYS 61 CO 0.02 0.38 0.22 -0.07 -2.27 0.00 0.00 179.45 177.73 1hfn h LEU 62 N 0.50 0.57 -1.67 5.20 3.38 -1.41 0.80 115.31 122.68 1hfn h LEU 62 Ca 0.14 -0.12 0.14 0.00 0.09 0.00 0.00 57.88 58.12 1hfn h LEU 62 Cb -0.00 -0.15 -0.04 0.00 0.09 0.00 0.00 40.66 40.56 1hfn h LEU 62 CO -0.03 0.53 0.46 0.24 0.09 0.00 0.00 178.44 179.73 1hfn h MET 63 N 0.57 0.33 0.03 1.13 2.86 -0.76 0.96 114.93 120.05 1hfn h MET 63 Ca 0.15 -0.02 -0.30 0.00 -2.06 0.00 0.00 59.70 57.47 1hfn h MET 63 Cb 0.11 -0.07 -0.04 0.00 0.06 0.00 0.00 31.60 31.65 1hfn h MET 63 CO -0.02 0.22 -1.70 1.96 1.06 0.00 0.00 176.91 178.43 1hfn h GLN 64 N 0.34 0.07 -0.12 1.72 4.20 -0.61 -3.37 115.11 117.34 1hfn h GLN 64 Ca 0.32 -0.12 -0.07 0.00 0.06 0.00 0.00 58.65 58.84 1hfn h GLN 64 Cb 0.80 0.05 -0.00 0.00 0.30 0.00 0.00 27.48 28.62 1hfn h GLN 64 CO -0.09 0.71 -0.20 1.96 -0.67 0.00 0.00 178.83 180.55 1hfn h GLN 65 N 0.02 0.35 -5.98 1.46 1.08 0.20 -3.44 115.11 108.79 1hfn h GLN 65 Ca -0.29 -0.21 -0.59 0.00 -1.45 0.00 0.00 58.65 56.11 1hfn h GLN 65 Cb 2.00 0.02 -0.03 0.00 -0.05 0.00 0.00 27.48 29.42 1hfn h GLN 65 CO 0.09 0.80 -0.47 -0.51 -0.95 0.00 0.00 178.83 177.79 1hfn s LEU 66 N -8.96 4.34 0.00 1.46 1.02 0.32 -5.06 118.68 111.80 1hfn s LEU 66 Ca -0.14 0.28 0.00 0.00 0.02 0.00 0.00 54.13 54.28 1hfn s LEU 66 Cb 0.05 -2.99 0.00 0.00 0.02 0.00 0.00 46.19 43.27 1hfn s LEU 66 CO 0.76 0.12 0.02 -0.81 0.02 0.00 0.00 176.35 176.46 1hfn n PRO 67 N 0.01 0.00 0.00 1.29 -0.04 -1.26 -4.61 135.00 130.39 1hfn n PRO 67 Ca -0.05 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.41 1hfn n PRO 67 Cb 0.52 -0.21 0.00 0.00 -0.04 0.00 0.00 33.50 33.77 1hfn n PRO 67 CO 0.00 0.00 0.00 1.55 -0.04 0.00 0.00 175.50 177.01 1hfn n VAL 68 N -0.15 0.00 -0.17 0.52 3.14 -1.26 -4.72 118.33 115.69 1hfn n VAL 68 Ca 0.00 0.00 -0.07 0.00 -2.96 0.00 0.00 64.34 61.31 1hfn n VAL 68 Cb 0.00 0.00 0.02 0.00 -1.06 0.00 0.00 33.84 32.80 1hfn n VAL 68 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 1hfn h THR 69 N 0.77 1.16 0.00 1.55 1.03 -1.88 -3.46 112.91 112.08 1hfn h THR 69 Ca 0.00 -0.38 0.00 0.00 -0.01 0.00 0.00 66.41 66.02 1hfn h THR 69 Cb 0.00 0.52 0.00 0.00 -1.07 0.00 0.00 68.15 67.60 1hfn h THR 69 CO 0.00 0.17 0.00 0.00 -0.01 0.00 0.00 175.52 175.68 1hfn n ALA 70 N -2.27 0.37 -0.52 0.00 0.00 -1.26 -5.13 120.51 111.70 1hfn n ALA 70 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.46 1hfn n ALA 70 Cb 0.07 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.52 1hfn n ALA 70 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37