#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hfk h PHE -6 N 0.00 0.18 -0.50 3.69 3.57 -2.05 -2.53 116.94 119.30 3hfk h PHE -6 Ca 0.00 0.01 0.04 0.00 3.53 0.00 0.00 57.97 61.55 3hfk h PHE -6 Cb 0.00 -0.06 -0.03 0.00 2.79 0.00 0.00 35.95 38.66 3hfk h PHE -6 CO 0.00 0.11 0.34 0.93 -2.23 0.00 0.00 178.31 177.45 3hfk h GLU -5 N 0.21 0.52 -0.28 1.11 5.08 -2.05 -0.68 114.58 118.47 3hfk h GLU -5 Ca 0.07 -0.03 -0.05 0.00 -1.00 0.00 0.00 59.36 58.35 3hfk h GLU -5 Cb 0.00 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 29.13 3hfk h GLU -5 CO -0.04 0.34 0.00 -0.22 -1.00 0.00 0.00 179.01 178.09 3hfk h LYS -4 N 0.54 0.50 -0.65 2.33 3.64 -1.95 -0.02 116.57 120.96 3hfk h LYS -4 Ca 0.21 -0.16 -0.08 0.00 -1.27 0.00 0.00 60.65 59.35 3hfk h LYS -4 Cb 0.16 -0.05 -0.02 0.00 -0.41 0.00 0.00 32.23 31.91 3hfk h LYS -4 CO -0.05 0.66 0.08 0.82 -2.27 0.00 0.00 179.45 178.68 3hfk h ILE -3 N 0.29 1.26 -0.81 2.00 1.08 -1.12 -2.74 117.51 117.48 3hfk h ILE -3 Ca 0.08 -1.06 0.05 0.00 -0.39 0.00 0.00 64.86 63.54 3hfk h ILE -3 Cb 0.43 0.68 -0.06 0.00 -3.07 0.00 0.00 36.82 34.80 3hfk h ILE -3 CO 0.01 0.39 0.50 -0.08 -0.69 0.00 0.00 178.15 178.29 3hfk h GLU -2 N 1.00 0.90 0.00 2.37 4.81 -1.02 -2.26 114.58 120.39 3hfk h GLU -2 Ca 0.19 -0.05 -0.02 0.00 -0.13 0.00 0.00 59.36 59.35 3hfk h GLU -2 Cb 0.47 -0.20 -0.00 0.00 0.63 0.00 0.00 28.75 29.64 3hfk h GLU -2 CO 0.02 0.60 -0.10 0.78 -0.73 0.00 0.00 179.01 179.58 3hfk h GLY -1 N 0.93 0.00 0.14 1.92 0.00 -0.69 -2.62 103.07 102.75 3hfk h GLY -1 Ca 0.35 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.68 3hfk h GLY -1 CO -0.16 0.00 -0.12 0.54 0.00 0.00 0.00 176.54 176.80 3hfk n ARG 0 N -4.02 1.12 -0.74 4.80 1.74 -0.86 -4.83 116.66 113.86 3hfk n ARG 0 Ca -0.02 -0.59 -0.29 0.00 -0.77 0.00 0.00 57.85 56.17 3hfk n ARG 0 Cb 0.18 -1.49 0.21 0.00 -1.02 0.00 0.00 32.46 30.34 3hfk n ARG 0 CO 0.00 0.00 0.00 -1.64 -1.52 0.00 0.00 177.63 174.47 3hfk s MET 1 N -2.29 0.02 0.06 5.56 -1.94 -0.99 -4.91 119.30 114.80 3hfk s MET 1 Ca 0.31 0.99 -0.30 0.00 -1.71 0.00 0.00 55.69 54.98 3hfk s MET 1 Cb 0.20 -1.65 -0.09 0.00 2.01 0.00 0.00 34.83 35.30 3hfk s MET 1 CO 0.44 -3.14 1.88 0.42 -0.01 0.00 0.00 175.02 174.61 3hfk s ILE 2 N -2.63 2.92 -0.05 2.53 1.01 -0.72 -4.85 121.20 119.42 3hfk s ILE 2 Ca 0.67 0.12 0.02 0.00 0.00 0.00 0.00 60.65 61.46 3hfk s ILE 2 Cb -0.23 -3.08 0.01 0.00 0.01 0.00 0.00 42.46 39.18 3hfk s ILE 2 CO 0.61 -0.01 -0.10 -0.13 0.00 0.00 0.00 174.94 175.32 3hfk s ARG 3 N 3.79 1.30 -0.15 2.79 0.52 -1.26 -0.69 118.95 125.25 3hfk s ARG 3 Ca 0.84 -0.32 0.02 0.00 -0.52 0.00 0.00 55.73 55.75 3hfk s ARG 3 Cb -0.43 -1.14 0.01 0.00 0.52 0.00 0.00 34.95 33.91 3hfk s ARG 3 CO 0.38 0.03 -0.21 0.42 0.02 0.00 0.00 175.30 175.95 3hfk s ILE 4 N 0.58 2.17 -0.12 1.52 1.01 -0.79 -1.76 121.20 123.81 3hfk s ILE 4 Ca -0.11 -0.94 -0.04 0.00 0.00 0.00 0.00 60.65 59.56 3hfk s ILE 4 Cb -0.14 -1.88 -0.04 0.00 0.01 0.00 0.00 42.46 40.42 3hfk s ILE 4 CO 0.02 0.54 0.04 -0.22 0.00 0.00 0.00 174.94 175.33 3hfk s LEU 5 N 0.88 3.80 -0.01 2.97 2.96 -0.36 -1.35 118.68 127.56 3hfk s LEU 5 Ca -0.05 0.19 0.06 0.00 -0.22 0.00 0.00 54.13 54.11 3hfk s LEU 5 Cb -0.15 -1.90 -0.02 0.00 0.50 0.00 0.00 46.19 44.62 3hfk s LEU 5 CO -0.03 0.33 -0.20 -0.31 -1.32 0.00 0.00 176.35 174.83 3hfk s TYR 6 N -0.60 1.76 -0.17 5.38 2.02 0.17 -0.12 117.35 125.80 3hfk s TYR 6 Ca 0.11 -0.33 -0.13 0.00 -0.37 0.00 0.00 57.07 56.34 3hfk s TYR 6 Cb -0.12 -1.13 -0.05 0.00 -0.40 0.00 0.00 41.96 40.26 3hfk s TYR 6 CO 0.02 -0.02 0.27 -0.51 -1.57 0.00 0.00 175.55 173.74 3hfk s LEU 7 N -0.49 4.24 -0.09 -1.29 1.43 0.16 -0.53 118.68 122.10 3hfk s LEU 7 Ca 0.08 0.47 0.04 0.00 -1.03 0.00 0.00 54.13 53.69 3hfk s LEU 7 Cb -0.08 -2.34 -0.01 0.00 0.03 0.00 0.00 46.19 43.80 3hfk s LEU 7 CO -0.01 0.11 -0.22 -0.76 0.23 0.00 0.00 176.35 175.70 3hfk s LEU 8 N 0.47 2.20 -0.11 1.79 1.43 0.38 -1.39 118.68 123.45 3hfk s LEU 8 Ca 0.15 -0.50 0.02 0.00 -1.03 0.00 0.00 54.13 52.77 3hfk s LEU 8 Cb -0.13 -1.44 -0.01 0.00 0.03 0.00 0.00 46.19 44.65 3hfk s LEU 8 CO 0.03 0.19 -0.18 -0.69 0.23 0.00 0.00 176.35 175.93 3hfk s VAL 9 N 0.18 2.59 0.67 -1.59 1.01 -0.47 -0.74 120.40 122.04 3hfk s VAL 9 Ca -0.13 -0.83 -0.13 0.00 0.00 0.00 0.00 61.98 60.88 3hfk s VAL 9 Cb -0.16 -2.04 0.00 0.00 0.00 0.00 0.00 36.38 34.17 3hfk s VAL 9 CO 0.07 0.54 1.08 -1.59 0.00 0.00 0.00 175.10 175.20 3hfk s LYS 10 N 0.29 2.90 0.33 2.72 -2.85 -1.26 -1.00 119.74 120.86 3hfk s LYS 10 Ca -0.13 1.18 -0.29 0.00 -1.00 0.00 0.00 55.97 55.73 3hfk s LYS 10 Cb -0.17 -1.98 -0.12 0.00 -2.06 0.00 0.00 37.83 33.51 3hfk s LYS 10 CO 0.07 -1.14 1.41 -2.30 0.10 0.00 0.00 175.35 173.48 3hfk n PRO 11 N -2.67 2.34 -0.32 1.78 -0.02 -1.26 -4.31 135.00 130.53 3hfk n PRO 11 Ca 0.09 0.82 0.22 0.00 -2.02 0.00 0.00 63.50 62.61 3hfk n PRO 11 Cb 0.53 -2.49 0.44 0.00 -0.02 0.00 0.00 33.50 31.96 3hfk n PRO 11 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 3hfk h GLU 12 N 3.29 0.23 0.00 -0.52 4.57 -1.97 -1.47 114.58 118.71 3hfk h GLU 12 Ca -0.47 -0.01 0.00 0.00 -1.18 0.00 0.00 59.36 57.69 3hfk h GLU 12 Cb 1.26 -0.05 0.00 0.00 -0.16 0.00 0.00 28.75 29.80 3hfk h GLU 12 CO 0.68 0.15 -0.50 -1.13 -1.18 0.00 0.00 179.01 177.03 3hfk n SER 13 N -5.15 0.70 -4.74 1.04 3.41 -1.26 -4.87 113.62 102.76 3hfk n SER 13 Ca 0.30 0.19 -0.41 0.00 -0.26 0.00 0.00 58.87 58.69 3hfk n SER 13 Cb 0.94 -0.02 -0.05 0.00 -0.26 0.00 0.00 64.21 64.82 3hfk n SER 13 CO 0.00 0.00 0.00 -0.32 -0.16 0.00 0.00 175.04 174.56 3hfk s MET 14 N -3.15 4.76 0.66 4.33 -2.45 -0.55 -5.02 119.30 117.88 3hfk s MET 14 Ca 0.07 1.46 -0.14 0.00 -1.25 0.00 0.00 55.69 55.84 3hfk s MET 14 Cb 0.13 -3.34 -0.00 0.00 1.25 0.00 0.00 34.83 32.88 3hfk s MET 14 CO 0.69 0.34 1.08 -1.54 1.05 0.00 0.00 175.02 176.64 3hfk s SER 15 N -0.49 5.31 0.31 1.11 1.04 -1.26 -4.86 113.70 114.86 3hfk s SER 15 Ca 0.44 1.82 -0.00 0.00 0.48 0.00 0.00 55.95 58.69 3hfk s SER 15 Cb -0.24 -2.53 0.51 0.00 0.10 0.00 0.00 66.02 63.85 3hfk s SER 15 CO 0.31 -1.49 1.95 0.45 0.98 0.00 0.00 173.24 175.43 3hfk h HIS 16 N -0.19 1.02 -0.75 5.02 3.86 -1.97 -0.64 115.15 121.51 3hfk h HIS 16 Ca -0.46 0.03 0.02 0.00 -1.16 0.00 0.00 60.37 58.80 3hfk h HIS 16 Cb 1.23 -0.34 -0.04 0.00 1.06 0.00 0.00 27.41 29.31 3hfk h HIS 16 CO 0.58 0.59 0.48 1.49 0.86 0.00 0.00 177.93 181.93 3hfk h GLU 17 N 1.05 0.93 -0.13 2.45 4.81 -2.01 -1.62 114.58 120.06 3hfk h GLU 17 Ca 0.34 -0.06 -0.23 0.00 -0.13 0.00 0.00 59.36 59.28 3hfk h GLU 17 Cb 0.04 -0.21 0.01 0.00 0.63 0.00 0.00 28.75 29.22 3hfk h GLU 17 CO -0.10 0.61 -0.82 0.37 -0.73 0.00 0.00 179.01 178.35 3hfk h GLN 18 N 0.95 0.78 -0.52 1.92 4.15 -1.82 -2.95 115.11 117.62 3hfk h GLN 18 Ca 0.29 -0.66 0.08 0.00 0.77 0.00 0.00 58.65 59.13 3hfk h GLN 18 Cb -0.03 0.15 -0.06 0.00 0.21 0.00 0.00 27.48 27.74 3hfk h GLN 18 CO -0.09 1.26 0.17 0.35 -1.93 0.00 0.00 178.83 178.59 3hfk h PHE 19 N 0.52 0.30 -0.65 3.99 3.57 -0.70 -0.12 116.94 123.85 3hfk h PHE 19 Ca -0.06 0.03 0.05 0.00 3.53 0.00 0.00 57.97 61.51 3hfk h PHE 19 Cb 1.45 -0.05 -0.05 0.00 2.79 0.00 0.00 35.95 40.08 3hfk h PHE 19 CO 0.09 0.08 0.37 -0.09 -2.23 0.00 0.00 178.31 176.53 3hfk h ARG 20 N 0.34 0.69 -0.66 1.11 2.43 -1.30 -0.87 114.38 116.11 3hfk h ARG 20 Ca 0.25 -0.04 -0.02 0.00 -0.81 0.00 0.00 59.98 59.37 3hfk h ARG 20 Cb 0.30 -0.15 -0.03 0.00 -0.42 0.00 0.00 29.97 29.66 3hfk h ARG 20 CO -0.27 0.45 0.35 0.87 -1.51 0.00 0.00 179.97 179.86 3hfk h LYS 21 N 0.71 0.94 0.00 0.20 1.57 -1.15 -2.50 116.57 116.33 3hfk h LYS 21 Ca 0.28 -0.12 -0.09 0.00 -1.87 0.00 0.00 60.65 58.85 3hfk h LYS 21 Cb 0.12 -0.18 -0.01 0.00 0.08 0.00 0.00 32.23 32.24 3hfk h LYS 21 CO -0.15 0.72 -0.43 0.93 -0.57 0.00 0.00 179.45 179.95 3hfk h GLU 22 N 0.91 0.00 -0.40 3.15 4.39 -0.66 -1.02 114.58 120.96 3hfk h GLU 22 Ca 0.23 0.00 -0.02 0.00 0.34 0.00 0.00 59.36 59.92 3hfk h GLU 22 Cb 0.07 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 28.70 3hfk h GLU 22 CO -0.03 0.43 0.19 0.00 -1.16 0.00 0.00 179.01 178.43 3hfk h VAL 24 N 0.50 1.08 -0.47 0.00 2.07 -1.10 -1.23 116.25 117.11 3hfk h VAL 24 Ca 0.14 -0.19 0.07 0.00 0.82 0.00 0.00 66.70 67.54 3hfk h VAL 24 Cb 0.13 0.76 -0.06 0.00 -1.52 0.00 0.00 31.29 30.60 3hfk h VAL 24 CO -0.02 0.08 0.13 0.58 0.02 0.00 0.00 177.57 178.36 3hfk h VAL 25 N 0.32 0.78 -1.00 2.57 2.07 -1.15 -1.62 116.25 118.22 3hfk h VAL 25 Ca 0.09 -0.09 0.09 0.00 0.82 0.00 0.00 66.70 67.60 3hfk h VAL 25 Cb -0.00 0.48 -0.07 0.00 -1.52 0.00 0.00 31.29 30.17 3hfk h VAL 25 CO -0.02 0.05 0.64 -0.74 0.02 0.00 0.00 177.57 177.53 3hfk h HIS 26 N 0.28 1.18 -0.26 1.57 2.76 -0.65 0.07 115.15 120.09 3hfk h HIS 26 Ca 0.23 0.03 -0.04 0.00 -2.20 0.00 0.00 60.37 58.39 3hfk h HIS 26 Cb 0.28 -0.38 -0.01 0.00 1.55 0.00 0.00 27.41 28.85 3hfk h HIS 26 CO -0.19 0.55 0.01 0.35 -1.30 0.00 0.00 177.93 177.35 3hfk h PHE 27 N 1.10 0.49 -0.82 5.26 3.57 -0.91 -2.80 116.94 122.83 3hfk h PHE 27 Ca 0.46 -0.08 0.09 0.00 3.53 0.00 0.00 57.97 61.97 3hfk h PHE 27 Cb 0.31 -0.13 -0.07 0.00 2.79 0.00 0.00 35.95 38.84 3hfk h PHE 27 CO -0.00 0.60 0.47 1.96 -2.23 0.00 0.00 178.31 179.11 3hfk h GLN 28 N 0.24 0.77 0.00 1.11 4.20 -0.33 -1.37 115.11 119.73 3hfk h GLN 28 Ca 0.08 -0.05 0.00 0.00 0.06 0.00 0.00 58.65 58.74 3hfk h GLN 28 Cb 0.40 -0.17 0.00 0.00 0.30 0.00 0.00 27.48 28.00 3hfk h GLN 28 CO 0.01 0.51 0.00 0.52 -0.67 0.00 0.00 178.83 179.20 3hfk h MET 29 N 0.80 0.00 0.00 1.46 2.86 -0.88 -2.90 114.93 116.27 3hfk h MET 29 Ca 0.39 0.00 -0.02 0.00 -2.06 0.00 0.00 59.70 58.01 3hfk h MET 29 Cb 0.35 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 32.01 3hfk h MET 29 CO -0.24 0.00 -0.11 0.66 1.06 0.00 0.00 176.91 178.27 3hfk h SER 30 N 0.00 0.00 -3.30 1.22 4.64 -0.98 -3.43 113.55 111.70 3hfk h SER 30 Ca 0.00 0.00 -0.53 0.00 -0.47 0.00 0.00 61.79 60.79 3hfk h SER 30 Cb 0.27 0.00 0.08 0.00 -0.31 0.00 0.00 62.40 62.45 3hfk h SER 30 CO 0.00 0.11 0.90 0.00 -0.87 0.00 0.00 176.83 176.98 3hfk s ALA 31 N -3.40 3.77 -0.85 5.18 0.00 -1.10 -1.46 121.76 123.90 3hfk s ALA 31 Ca 0.04 1.60 0.00 0.00 0.00 0.00 0.00 51.96 53.59 3hfk s ALA 31 Cb 0.08 -3.66 0.00 0.00 0.00 0.00 0.00 23.12 19.54 3hfk s ALA 31 CO 0.64 -1.00 0.00 0.41 0.00 0.00 0.00 175.76 175.80 3hfk n GLY 32 N 2.24 0.81 3.67 0.00 0.00 -1.26 -4.96 105.19 105.69 3hfk n GLY 32 Ca 0.09 -0.05 -0.42 0.00 0.00 0.00 0.00 46.02 45.64 3hfk n GLY 32 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 3hfk s MET 33 N -2.57 4.15 0.21 1.61 0.00 -0.53 -4.89 119.30 117.27 3hfk s MET 33 Ca 0.00 2.55 -0.32 0.00 0.00 0.00 0.00 55.69 57.92 3hfk s MET 33 Cb 0.00 -3.95 -0.13 0.00 0.00 0.00 0.00 34.83 30.75 3hfk s MET 33 CO 0.00 -0.90 1.59 -2.30 0.00 0.00 0.00 175.02 173.41 3hfk n PRO 34 N 6.86 2.38 0.00 4.11 -0.02 -1.26 -1.83 135.00 145.24 3hfk n PRO 34 Ca 0.19 0.86 0.00 0.00 -2.02 0.00 0.00 63.50 62.52 3hfk n PRO 34 Cb 0.40 -2.63 0.00 0.00 -0.02 0.00 0.00 33.50 31.26 3hfk n PRO 34 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3hfk n GLY 35 N 3.12 2.66 3.68 -1.23 0.00 -1.26 -3.41 105.19 108.75 3hfk n GLY 35 Ca 0.14 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.77 3hfk n GLY 35 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3hfk s LEU 36 N 0.00 4.19 0.02 0.99 2.96 -0.76 -4.46 118.68 121.62 3hfk s LEU 36 Ca 0.00 0.91 -0.07 0.00 -0.22 0.00 0.00 54.13 54.74 3hfk s LEU 36 Cb 0.00 -2.91 -0.30 0.00 0.50 0.00 0.00 46.19 43.48 3hfk s LEU 36 CO 0.00 -0.22 0.92 -0.74 -1.32 0.00 0.00 176.35 174.99 3hfk h HIS 37 N 7.26 0.62 -1.95 5.38 -0.00 -1.41 -3.46 115.15 121.59 3hfk h HIS 37 Ca -0.34 -0.45 -0.03 0.00 -0.00 0.00 0.00 60.37 59.54 3hfk h HIS 37 Cb 1.16 -0.02 -0.21 0.00 -0.00 0.00 0.00 27.41 28.33 3hfk h HIS 37 CO 0.69 1.45 0.18 0.21 -0.00 0.00 0.00 177.93 180.46 3hfk s LYS 38 N -2.62 0.85 0.01 5.26 2.20 -1.16 -4.98 119.74 119.30 3hfk s LYS 38 Ca -0.09 0.78 0.04 0.00 -0.36 0.00 0.00 55.97 56.33 3hfk s LYS 38 Cb 0.06 0.41 -0.01 0.00 -1.51 0.00 0.00 37.83 36.78 3hfk s LYS 38 CO 0.88 -0.15 -0.12 -0.47 -0.36 0.00 0.00 175.35 175.13 3hfk s TYR 39 N -0.02 1.02 0.03 4.03 5.04 -1.26 -1.22 117.35 124.96 3hfk s TYR 39 Ca -0.02 -0.26 0.04 0.00 -2.44 0.00 0.00 57.07 54.39 3hfk s TYR 39 Cb -0.04 -0.63 -0.02 0.00 0.35 0.00 0.00 41.96 41.62 3hfk s TYR 39 CO 0.02 -0.00 -0.13 -1.21 -1.34 0.00 0.00 175.55 172.89 3hfk s GLU 40 N -0.65 0.90 -0.02 4.97 2.02 -0.51 -4.99 118.70 120.41 3hfk s GLU 40 Ca 0.02 -0.70 -0.02 0.00 0.02 0.00 0.00 54.97 54.29 3hfk s GLU 40 Cb -0.06 -0.89 0.01 0.00 0.10 0.00 0.00 34.13 33.30 3hfk s GLU 40 CO 0.00 0.22 0.06 0.54 0.02 0.00 0.00 175.26 176.10 3hfk s VAL 41 N -0.80 -0.01 0.03 2.63 0.11 -1.26 -1.29 120.40 119.81 3hfk s VAL 41 Ca 0.01 0.05 0.01 0.00 -2.93 0.00 0.00 61.98 59.13 3hfk s VAL 41 Cb -0.07 -0.10 -0.02 0.00 -1.53 0.00 0.00 36.38 34.66 3hfk s VAL 41 CO 0.01 0.02 -0.05 -0.13 -3.33 0.00 0.00 175.10 171.62 3hfk s ARG 42 N 0.31 0.39 0.49 1.54 0.52 -0.56 -4.99 118.95 116.64 3hfk s ARG 42 Ca -0.02 -0.57 -0.18 0.00 -0.52 0.00 0.00 55.73 54.43 3hfk s ARG 42 Cb -0.04 -0.14 -0.09 0.00 0.52 0.00 0.00 34.95 35.21 3hfk s ARG 42 CO -0.01 0.02 0.98 -0.51 0.02 0.00 0.00 175.30 175.80 3hfk s LEU 43 N -1.23 3.75 -0.32 2.53 1.43 -1.26 -1.14 118.68 122.43 3hfk s LEU 43 Ca -0.10 1.67 -0.27 0.00 -1.03 0.00 0.00 54.13 54.40 3hfk s LEU 43 Cb -0.08 -4.53 0.01 0.00 0.03 0.00 0.00 46.19 41.62 3hfk s LEU 43 CO -0.00 -0.57 0.98 -0.69 0.23 0.00 0.00 176.35 176.30 3hfk s VAL 44 N -2.39 4.60 -0.17 -1.59 1.01 -0.36 -4.84 120.40 116.66 3hfk s VAL 44 Ca 0.61 1.52 0.13 0.00 0.00 0.00 0.00 61.98 64.25 3hfk s VAL 44 Cb -0.11 -4.33 -0.20 0.00 0.00 0.00 0.00 36.38 31.74 3hfk s VAL 44 CO 0.24 -0.42 0.03 0.00 0.00 0.00 0.00 175.10 174.95 3hfk n ALA 45 N 6.67 1.59 -2.83 5.51 0.00 -1.26 -4.92 120.51 125.27 3hfk n ALA 45 Ca 0.09 -1.07 -0.14 0.00 0.00 0.00 0.00 53.44 52.32 3hfk n ALA 45 Cb 0.47 -0.09 -0.13 0.00 0.00 0.00 0.00 19.45 19.71 3hfk n ALA 45 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 3hfk s GLY 46 N -5.13 0.33 -0.54 0.00 0.00 -1.26 -5.08 107.32 95.64 3hfk s GLY 46 Ca -0.10 -0.46 0.07 0.00 0.00 0.00 0.00 44.72 44.23 3hfk s GLY 46 CO 0.66 -0.47 0.67 0.70 0.00 0.00 0.00 173.10 174.66 3hfk n ASN 47 N 2.24 2.43 -4.77 1.64 3.02 -1.26 -5.12 115.26 113.45 3hfk n ASN 47 Ca -0.18 -3.17 -0.41 0.00 -0.03 0.00 0.00 54.58 50.80 3hfk n ASN 47 Cb 0.57 -0.66 -0.01 0.00 -0.61 0.00 0.00 39.78 39.07 3hfk n ASN 47 CO 0.00 0.00 0.00 -2.16 -2.62 0.00 0.00 177.26 172.48 3hfk s PRO 48 N -2.03 4.27 0.00 3.52 0.04 -1.26 -4.92 135.00 134.62 3hfk s PRO 48 Ca 0.38 2.29 0.06 0.00 0.04 0.00 0.00 61.00 63.78 3hfk s PRO 48 Cb 0.16 -3.02 -0.02 0.00 0.04 0.00 0.00 34.50 31.67 3hfk s PRO 48 CO -0.05 -0.29 0.43 0.25 0.04 0.00 0.00 177.00 177.38 3hfk n THR 49 N 0.66 0.00 -2.20 1.26 -2.24 -1.26 -4.78 114.28 105.73 3hfk n THR 49 Ca 0.00 -0.42 -0.42 0.00 -2.27 0.00 0.00 64.05 60.94 3hfk n THR 49 Cb 0.41 1.06 0.00 0.00 -2.10 0.00 0.00 70.33 69.70 3hfk n THR 49 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 3hfk n ASP 50 N -0.51 5.37 -4.83 3.42 3.85 -1.26 -4.80 116.55 117.78 3hfk n ASP 50 Ca 0.02 -3.07 -0.34 0.00 -0.71 0.00 0.00 54.79 50.69 3hfk n ASP 50 Cb 0.12 -1.49 -0.06 0.00 -1.35 0.00 0.00 41.12 38.34 3hfk n ASP 50 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.20 176.61 3hfk s THR 51 N 0.57 4.60 0.33 2.12 -4.23 -1.26 -4.96 115.64 112.81 3hfk s THR 51 Ca 0.43 1.14 0.04 0.00 -1.18 0.00 0.00 61.69 62.12 3hfk s THR 51 Cb 0.11 -3.73 0.14 0.00 1.34 0.00 0.00 72.50 70.37 3hfk s THR 51 CO -0.02 -0.01 1.85 0.00 -0.54 0.00 0.00 174.62 175.90 3hfk h ALA 52 N 2.77 1.33 -2.00 3.99 0.00 -2.02 -3.43 119.26 119.89 3hfk h ALA 52 Ca -0.48 -0.23 -0.48 0.00 0.00 0.00 0.00 54.91 53.72 3hfk h ALA 52 Cb 1.18 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 18.80 3hfk h ALA 52 CO 0.65 0.46 -0.45 0.14 0.00 0.00 0.00 179.25 180.04 3hfk s VAL 53 N -4.86 4.16 0.28 0.00 -7.23 -1.26 -5.06 120.40 106.44 3hfk s VAL 53 Ca -0.07 -1.27 -0.29 0.00 -1.81 0.00 0.00 61.98 58.54 3hfk s VAL 53 Cb 0.15 -3.39 -0.14 0.00 0.56 0.00 0.00 36.38 33.57 3hfk s VAL 53 CO 0.77 -0.25 1.20 -2.65 -0.31 0.00 0.00 175.10 173.86 3hfk n PRO 54 N -1.36 1.73 -2.77 4.82 -0.02 -1.26 -4.91 135.00 131.23 3hfk n PRO 54 Ca -0.05 0.61 -0.41 0.00 -2.02 0.00 0.00 63.50 61.63 3hfk n PRO 54 Cb 0.58 -2.12 -0.04 0.00 -0.02 0.00 0.00 33.50 31.90 3hfk n PRO 54 CO 0.00 0.00 0.00 -0.47 1.98 0.00 0.00 175.50 177.01 3hfk s TYR 55 N -0.74 3.76 -0.29 6.00 5.04 -1.26 -5.01 117.35 124.84 3hfk s TYR 55 Ca 0.61 1.71 -0.13 0.00 -2.44 0.00 0.00 57.07 56.83 3hfk s TYR 55 Cb -0.67 -3.03 -0.04 0.00 0.35 0.00 0.00 41.96 38.57 3hfk s TYR 55 CO 0.57 0.16 0.29 -1.17 -1.34 0.00 0.00 175.55 174.06 3hfk s LEU 56 N 0.28 4.11 -0.27 6.97 2.96 -1.26 -5.05 118.68 126.42 3hfk s LEU 56 Ca 0.47 0.06 -0.18 0.00 -0.22 0.00 0.00 54.13 54.26 3hfk s LEU 56 Cb -0.22 -2.27 -0.03 0.00 0.50 0.00 0.00 46.19 44.17 3hfk s LEU 56 CO 0.28 -0.15 0.50 -0.62 -1.32 0.00 0.00 176.35 175.04 3hfk s ASP 57 N 1.71 6.41 -0.11 3.68 2.15 -1.26 -4.88 116.67 124.37 3hfk s ASP 57 Ca 0.11 0.47 0.16 0.00 0.43 0.00 0.00 52.55 53.72 3hfk s ASP 57 Cb -0.16 -2.27 0.24 0.00 -0.30 0.00 0.00 42.92 40.43 3hfk s ASP 57 CO 0.11 -0.29 1.13 1.33 -0.17 0.00 0.00 175.17 177.28 3hfk n VAL 58 N 5.17 1.74 -4.07 1.11 0.24 -1.26 -5.12 118.33 116.14 3hfk n VAL 58 Ca -0.04 -2.03 0.00 0.00 -2.04 0.00 0.00 64.34 60.23 3hfk n VAL 58 Cb 0.50 -0.11 0.00 0.00 -1.47 0.00 0.00 33.84 32.76 3hfk n VAL 58 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3hfk n GLY 59 N -1.24 -1.43 3.59 7.63 0.00 -1.26 -4.78 105.19 107.69 3hfk n GLY 59 Ca 0.13 -1.29 -0.40 0.00 0.00 0.00 0.00 46.02 44.46 3hfk n GLY 59 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3hfk s ARG 60 N 0.00 3.89 -0.14 1.61 3.52 -1.26 -5.05 118.95 121.53 3hfk s ARG 60 Ca 0.00 0.03 -0.04 0.00 -0.13 0.00 0.00 55.73 55.59 3hfk s ARG 60 Cb 0.00 -3.71 -0.03 0.00 -1.56 0.00 0.00 34.95 29.65 3hfk s ARG 60 CO 0.00 -0.41 -0.01 0.42 -0.81 0.00 0.00 175.30 174.49 3hfk s ILE 61 N 2.21 4.14 -0.17 4.11 -1.09 -1.26 -4.81 121.20 124.33 3hfk s ILE 61 Ca 0.17 -0.28 0.08 0.00 -2.23 0.00 0.00 60.65 58.39 3hfk s ILE 61 Cb -0.16 -2.80 -0.23 0.00 -1.58 0.00 0.00 42.46 37.70 3hfk s ILE 61 CO 0.11 0.52 0.18 0.47 -1.23 0.00 0.00 174.94 174.99 3hfk n ASP 62 N 3.12 1.15 -3.87 3.58 8.00 0.08 -4.64 116.55 123.97 3hfk n ASP 62 Ca -0.18 0.10 -0.10 0.00 0.71 0.00 0.00 54.79 55.33 3hfk n ASP 62 Cb 0.53 0.01 -0.06 0.00 -0.02 0.00 0.00 41.12 41.58 3hfk n ASP 62 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3hfk s ALA 63 N -2.54 -0.35 -0.10 2.24 0.00 -0.38 -1.22 121.76 119.41 3hfk s ALA 63 Ca -0.18 -0.62 0.02 0.00 0.00 0.00 0.00 51.96 51.18 3hfk s ALA 63 Cb 0.07 0.82 0.01 0.00 0.00 0.00 0.00 23.12 24.02 3hfk s ALA 63 CO 0.76 -0.68 -0.17 0.42 0.00 0.00 0.00 175.76 176.09 3hfk s ILE 64 N -3.92 1.58 0.23 0.00 -1.09 -0.29 -0.47 121.20 117.24 3hfk s ILE 64 Ca 0.13 -0.71 0.09 0.00 -2.23 0.00 0.00 60.65 57.94 3hfk s ILE 64 Cb 0.02 -1.42 -0.04 0.00 -1.58 0.00 0.00 42.46 39.43 3hfk s ILE 64 CO -0.02 0.46 -0.05 -0.83 -1.23 0.00 0.00 174.94 173.26 3hfk s GLY 65 N 0.83 1.70 -0.15 6.18 0.00 0.31 -1.50 107.32 114.70 3hfk s GLY 65 Ca -0.09 -1.59 -0.13 0.00 0.00 0.00 0.00 44.72 42.91 3hfk s GLY 65 CO 0.01 -1.64 0.39 1.85 0.00 0.00 0.00 173.10 173.70 3hfk s GLU 66 N -3.33 0.44 0.03 2.90 2.12 -0.41 0.45 118.70 120.90 3hfk s GLU 66 Ca 0.29 0.58 0.09 0.00 0.36 0.00 0.00 54.97 56.29 3hfk s GLU 66 Cb -0.07 0.17 -0.03 0.00 0.26 0.00 0.00 34.13 34.46 3hfk s GLU 66 CO 0.18 -0.07 -0.26 0.00 -0.54 0.00 0.00 175.26 174.56 3hfk s TRP 68 N -0.74 2.51 -0.07 0.00 0.51 -0.36 -1.88 118.94 118.91 3hfk s TRP 68 Ca 0.11 -0.65 0.02 0.00 -2.12 0.00 0.00 56.10 53.46 3hfk s TRP 68 Cb -0.10 -1.63 0.01 0.00 -0.81 0.00 0.00 33.47 30.94 3hfk s TRP 68 CO 0.01 -0.17 -0.14 -0.06 -0.51 0.00 0.00 176.95 176.08 3hfk s PHE 69 N -0.18 1.63 -0.48 -1.98 0.08 0.13 -1.05 117.98 116.13 3hfk s PHE 69 Ca -0.03 -0.63 0.26 0.00 0.12 0.00 0.00 56.93 56.65 3hfk s PHE 69 Cb -0.14 -1.18 0.83 0.00 -0.57 0.00 0.00 43.02 41.97 3hfk s PHE 69 CO 0.04 -0.31 1.76 0.00 -0.10 0.00 0.00 175.22 176.60 3hfk h ALA 70 N 7.00 1.00 -2.65 5.36 0.00 -1.87 -1.91 119.26 126.19 3hfk h ALA 70 Ca -0.29 0.00 0.09 0.00 0.00 0.00 0.00 54.91 54.71 3hfk h ALA 70 Cb 1.19 0.00 -0.09 0.00 0.00 0.00 0.00 17.79 18.89 3hfk h ALA 70 CO 0.47 0.00 0.36 -1.54 0.00 0.00 0.00 179.25 178.54 3hfk s SER 71 N -5.01 -0.32 0.25 0.00 1.04 -1.26 -4.83 113.70 103.57 3hfk s SER 71 Ca 0.07 -0.30 -0.06 0.00 0.48 0.00 0.00 55.95 56.14 3hfk s SER 71 Cb 0.09 0.56 0.25 0.00 0.10 0.00 0.00 66.02 67.03 3hfk s SER 71 CO 0.56 -0.99 1.92 -0.33 0.98 0.00 0.00 173.24 175.38 3hfk h GLU 72 N 2.00 1.32 -0.78 4.02 5.08 -1.99 -0.11 114.58 124.12 3hfk h GLU 72 Ca -0.24 -0.09 -0.05 0.00 -1.00 0.00 0.00 59.36 57.97 3hfk h GLU 72 Cb 1.25 -0.29 -0.03 0.00 0.50 0.00 0.00 28.75 30.18 3hfk h GLU 72 CO 0.28 0.89 0.28 0.93 -1.00 0.00 0.00 179.01 180.39 3hfk h GLU 73 N 1.35 1.18 -0.47 2.33 3.07 -1.99 -1.30 114.58 118.75 3hfk h GLU 73 Ca 0.36 -0.23 -0.14 0.00 -0.50 0.00 0.00 59.36 58.85 3hfk h GLU 73 Cb -0.13 -0.18 -0.01 0.00 -0.84 0.00 0.00 28.75 27.59 3hfk h GLU 73 CO -0.07 0.97 -0.25 1.96 -1.40 0.00 0.00 179.01 180.22 3hfk h GLN 74 N 1.14 1.00 -0.71 2.33 1.08 -1.71 -1.09 115.11 117.15 3hfk h GLN 74 Ca 0.26 -0.45 0.05 0.00 -1.45 0.00 0.00 58.65 57.06 3hfk h GLN 74 Cb 0.26 -0.02 -0.05 0.00 -0.05 0.00 0.00 27.48 27.61 3hfk h GLN 74 CO -0.02 1.12 0.41 -0.92 -0.95 0.00 0.00 178.83 178.48 3hfk h TYR 75 N 0.85 0.77 -0.70 2.96 3.20 -0.82 -1.64 116.97 121.59 3hfk h TYR 75 Ca 0.10 0.02 -0.03 0.00 3.14 0.00 0.00 58.73 61.97 3hfk h TYR 75 Cb 0.83 -0.24 -0.03 0.00 1.54 0.00 0.00 36.73 38.83 3hfk h TYR 75 CO 0.06 0.39 0.34 1.96 -1.64 0.00 0.00 178.16 179.26 3hfk h GLN 76 N 0.77 1.00 -0.52 1.82 1.08 -0.85 0.26 115.11 118.67 3hfk h GLN 76 Ca 0.31 -0.13 0.00 0.00 -1.45 0.00 0.00 58.65 57.38 3hfk h GLN 76 Cb 0.15 -0.19 -0.03 0.00 -0.05 0.00 0.00 27.48 27.37 3hfk h GLN 76 CO -0.16 0.77 0.33 0.28 -0.95 0.00 0.00 178.83 179.09 3hfk h VAL 77 N 0.99 1.15 0.57 -0.54 2.07 -0.51 -1.45 116.25 118.52 3hfk h VAL 77 Ca 0.24 -0.30 -0.02 0.00 0.82 0.00 0.00 66.70 67.44 3hfk h VAL 77 Cb 0.10 0.42 -0.01 0.00 -1.52 0.00 0.00 31.29 30.28 3hfk h VAL 77 CO -0.03 0.14 -0.42 0.22 0.02 0.00 0.00 177.57 177.50 3hfk h TYR 78 N 0.70 -1.13 -0.00 1.57 3.20 -1.04 -1.71 116.97 118.56 3hfk h TYR 78 Ca 0.19 -0.00 0.00 0.00 3.14 0.00 0.00 58.73 62.06 3hfk h TYR 78 Cb -0.05 0.42 -0.00 0.00 1.54 0.00 0.00 36.73 38.64 3hfk h TYR 78 CO -0.03 -0.61 0.01 0.52 -1.64 0.00 0.00 178.16 176.41 3hfk h MET 79 N -0.96 0.00 0.00 1.82 2.86 -0.76 0.18 114.93 118.08 3hfk h MET 79 Ca -0.07 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.57 3hfk h MET 79 Cb 0.80 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.46 3hfk h MET 79 CO 0.02 0.00 -0.79 0.39 1.06 0.00 0.00 176.91 177.59 3hfk n GLU 80 N -3.33 0.22 -2.24 1.72 1.02 -0.56 -4.99 120.64 112.48 3hfk n GLU 80 Ca -0.03 0.03 -0.41 0.00 -0.02 0.00 0.00 57.16 56.73 3hfk n GLU 80 Cb 0.08 -1.60 -0.03 0.00 -0.02 0.00 0.00 31.44 29.87 3hfk n GLU 80 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 3hfk s SER 81 N -3.82 6.95 0.14 1.62 0.15 0.64 -4.93 113.70 114.46 3hfk s SER 81 Ca 0.06 2.52 -0.12 0.00 0.70 0.00 0.00 55.95 59.12 3hfk s SER 81 Cb 0.15 -2.64 -0.03 0.00 -1.71 0.00 0.00 66.02 61.79 3hfk s SER 81 CO 0.76 -0.40 1.50 0.44 1.20 0.00 0.00 173.24 176.73 3hfk h ASP 82 N 3.74 0.95 -0.64 5.45 3.32 -1.90 -2.97 116.42 124.37 3hfk h ASP 82 Ca -0.48 -0.43 0.04 0.00 0.02 0.00 0.00 57.03 56.18 3hfk h ASP 82 Cb 1.22 -0.27 -0.04 0.00 0.22 0.00 0.00 39.33 40.47 3hfk h ASP 82 CO 0.67 1.17 0.43 0.40 -1.72 0.00 0.00 179.24 180.19 3hfk h ILE 83 N 0.74 1.08 -0.37 0.35 2.04 -1.94 -0.44 117.51 118.98 3hfk h ILE 83 Ca 0.08 -0.26 -0.00 0.00 1.00 0.00 0.00 64.86 65.68 3hfk h ILE 83 Cb 0.85 0.26 -0.02 0.00 -0.74 0.00 0.00 36.82 37.17 3hfk h ILE 83 CO 0.07 0.14 0.21 -0.09 0.00 0.00 0.00 178.15 178.48 3hfk h ARG 84 N 0.76 0.50 -0.72 2.37 2.43 -1.81 -1.58 114.38 116.33 3hfk h ARG 84 Ca 0.26 -0.05 0.05 0.00 -0.81 0.00 0.00 59.98 59.43 3hfk h ARG 84 Cb 0.09 -0.10 -0.05 0.00 -0.42 0.00 0.00 29.97 29.48 3hfk h ARG 84 CO -0.07 0.40 0.42 0.87 -1.51 0.00 0.00 179.97 180.08 3hfk h LYS 85 N 0.47 0.77 0.00 0.20 1.57 -0.96 0.32 116.57 118.94 3hfk h LYS 85 Ca 0.13 -0.05 -0.07 0.00 -1.87 0.00 0.00 60.65 58.80 3hfk h LYS 85 Cb 0.03 -0.17 -0.01 0.00 0.08 0.00 0.00 32.23 32.16 3hfk h LYS 85 CO -0.02 0.51 -0.32 0.00 -0.57 0.00 0.00 179.45 179.05 3hfk h ALA 86 N 1.35 1.12 -0.10 3.86 0.00 -1.17 -1.56 119.26 122.75 3hfk h ALA 86 Ca 0.31 -0.29 -0.09 0.00 0.00 0.00 0.00 54.91 54.84 3hfk h ALA 86 Cb 0.14 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.88 3hfk h ALA 86 CO -0.16 0.40 -0.30 2.35 0.00 0.00 0.00 179.25 181.54 3hfk h TRP 87 N 0.00 0.50 0.00 0.00 7.01 -0.16 -3.05 115.95 120.25 3hfk h TRP 87 Ca -0.00 -0.20 -0.03 0.00 2.11 0.00 0.00 58.89 60.77 3hfk h TRP 87 Cb 0.74 -0.09 -0.00 0.00 -2.10 0.00 0.00 29.16 27.71 3hfk h TRP 87 CO 0.00 0.91 -0.15 0.74 -2.79 0.00 0.00 178.44 177.16 3hfk h PHE 88 N -0.05 0.00 -0.64 2.65 -1.00 -0.76 -0.23 116.94 116.90 3hfk h PHE 88 Ca -0.01 0.00 -0.01 0.00 2.81 0.00 0.00 57.97 60.76 3hfk h PHE 88 Cb 0.92 0.00 -0.03 0.00 3.61 0.00 0.00 35.95 40.45 3hfk h PHE 88 CO 0.11 0.15 0.36 0.93 -1.61 0.00 0.00 178.31 178.25 3hfk h GLU 89 N 0.00 0.89 -0.50 1.51 5.08 -1.24 0.21 114.58 120.53 3hfk h GLU 89 Ca -0.00 -0.10 -0.05 0.00 -1.00 0.00 0.00 59.36 58.20 3hfk h GLU 89 Cb 0.27 -0.18 -0.02 0.00 0.50 0.00 0.00 28.75 29.32 3hfk h GLU 89 CO 0.02 0.67 0.11 1.25 -1.00 0.00 0.00 179.01 180.06 3hfk h HIS 90 N 0.87 0.86 -0.70 4.33 2.76 -1.22 -2.63 115.15 119.42 3hfk h HIS 90 Ca 0.23 -0.11 0.15 0.00 -2.20 0.00 0.00 60.37 58.44 3hfk h HIS 90 Cb 0.03 -0.24 -0.12 0.00 1.55 0.00 0.00 27.41 28.64 3hfk h HIS 90 CO -0.01 0.77 0.04 0.78 -1.30 0.00 0.00 177.93 178.21 3hfk h GLY 91 N 0.70 0.81 1.88 5.26 0.00 -0.56 -0.55 103.07 110.61 3hfk h GLY 91 Ca 0.16 0.07 0.01 0.00 0.00 0.00 0.00 47.33 47.57 3hfk h GLY 91 CO 0.00 -0.24 0.05 0.50 0.00 0.00 0.00 176.54 176.86 3hfk h LYS 92 N 0.14 0.04 -0.15 4.80 1.57 -0.23 0.90 116.57 123.63 3hfk h LYS 92 Ca 0.38 -0.00 -0.04 0.00 -1.87 0.00 0.00 60.65 59.12 3hfk h LYS 92 Cb 0.65 -0.01 -0.00 0.00 0.08 0.00 0.00 32.23 32.95 3hfk h LYS 92 CO -0.59 0.02 -0.06 -0.92 -0.57 0.00 0.00 179.45 177.34 3hfk h TYR 93 N 0.04 0.34 -0.01 -1.35 3.20 -0.96 -3.38 116.97 114.85 3hfk h TYR 93 Ca 0.03 -0.08 0.00 0.00 3.14 0.00 0.00 58.73 61.82 3hfk h TYR 93 Cb 0.09 -0.08 0.00 0.00 1.54 0.00 0.00 36.73 38.28 3hfk h TYR 93 CO -0.00 0.61 -0.20 1.97 -1.64 0.00 0.00 178.16 178.90 3hfk n PHE 94 N -4.67 0.00 -3.75 -3.82 1.16 -1.07 -4.85 117.46 100.45 3hfk n PHE 94 Ca -0.06 0.00 -0.38 0.00 -1.87 0.00 0.00 57.45 55.15 3hfk n PHE 94 Cb 0.28 0.00 -0.12 0.00 -1.61 0.00 0.00 39.48 38.03 3hfk n PHE 94 CO 0.00 0.00 0.00 0.42 -1.87 0.00 0.00 176.76 175.31 3hfk s ILE 95 N -1.29 3.75 0.01 1.97 1.01 0.29 -4.06 121.20 122.88 3hfk s ILE 95 Ca 0.07 -1.17 -0.23 0.00 0.00 0.00 0.00 60.65 59.33 3hfk s ILE 95 Cb 0.07 -3.14 -0.17 0.00 0.01 0.00 0.00 42.46 39.23 3hfk s ILE 95 CO 0.23 -0.19 1.32 1.23 0.00 0.00 0.00 174.94 177.53 3hfk h GLY 96 N 8.21 0.18 -4.77 6.18 0.00 -1.26 -3.43 103.07 108.19 3hfk h GLY 96 Ca -0.23 -0.18 -0.15 0.00 0.00 0.00 0.00 47.33 46.77 3hfk h GLY 96 CO 0.60 0.17 -0.50 1.20 0.00 0.00 0.00 176.54 178.01 3hfk s GLN 97 N -4.34 0.47 -0.02 4.80 -0.21 -0.99 -4.91 119.66 114.46 3hfk s GLN 97 Ca -0.15 -0.41 -0.00 0.00 0.02 0.00 0.00 55.36 54.82 3hfk s GLN 97 Cb 0.03 0.19 0.03 0.00 1.00 0.00 0.00 33.01 34.27 3hfk s GLN 97 CO 0.71 -0.11 0.03 -1.17 -2.12 0.00 0.00 175.29 172.63 3hfk s LEU 98 N -1.38 1.10 -0.24 2.90 2.96 -1.26 -1.37 118.68 121.39 3hfk s LEU 98 Ca -0.15 0.04 0.00 0.00 -0.22 0.00 0.00 54.13 53.81 3hfk s LEU 98 Cb -0.08 -0.06 0.04 0.00 0.50 0.00 0.00 46.19 46.59 3hfk s LEU 98 CO 0.01 -0.13 -0.10 -0.75 -1.32 0.00 0.00 176.35 174.06 3hfk s LYS 99 N 1.04 2.67 -0.02 1.98 2.47 -0.49 -4.97 119.74 122.42 3hfk s LYS 99 Ca -0.09 -1.07 -0.12 0.00 -1.56 0.00 0.00 55.97 53.14 3hfk s LYS 99 Cb -0.12 -2.87 -0.05 0.00 -1.46 0.00 0.00 37.83 33.32 3hfk s LYS 99 CO -0.03 -0.42 0.34 -1.25 0.16 0.00 0.00 175.35 174.15 3hfk s PRO 100 N 1.25 3.77 -0.10 4.03 0.05 -1.26 -0.66 135.00 142.07 3hfk s PRO 100 Ca -0.02 0.23 0.03 0.00 0.05 0.00 0.00 61.00 61.29 3hfk s PRO 100 Cb -0.17 -3.18 -0.01 0.00 0.05 0.00 0.00 34.50 31.19 3hfk s PRO 100 CO -0.06 0.70 -0.19 -0.06 0.05 0.00 0.00 177.00 177.43 3hfk s PHE 101 N -1.12 2.65 -0.23 0.56 0.08 0.83 -4.98 117.98 115.77 3hfk s PHE 101 Ca 0.23 -0.78 -0.21 0.00 0.12 0.00 0.00 56.93 56.30 3hfk s PHE 101 Cb -0.15 -1.74 -0.02 0.00 -0.57 0.00 0.00 43.02 40.54 3hfk s PHE 101 CO 0.12 -0.26 0.65 0.08 -0.10 0.00 0.00 175.22 175.70 3hfk s VAL 102 N 0.19 4.98 0.26 -0.44 1.01 -1.26 -1.23 120.40 123.91 3hfk s VAL 102 Ca -0.11 1.19 0.05 0.00 0.00 0.00 0.00 61.98 63.11 3hfk s VAL 102 Cb -0.16 -3.95 -0.03 0.00 0.00 0.00 0.00 36.38 32.24 3hfk s VAL 102 CO 0.06 0.05 0.38 0.42 0.00 0.00 0.00 175.10 176.01 3hfk s THR 103 N 2.32 5.05 -0.07 3.92 -4.23 -0.72 -5.02 115.64 116.87 3hfk s THR 103 Ca 0.28 -0.99 0.00 0.00 -1.18 0.00 0.00 61.69 59.80 3hfk s THR 103 Cb -0.16 -3.78 0.02 0.00 1.34 0.00 0.00 72.50 69.93 3hfk s THR 103 CO 0.09 -0.30 -0.06 -0.70 -0.54 0.00 0.00 174.62 173.11 3hfk s GLU 104 N -4.01 1.16 0.33 3.99 2.12 -1.26 -4.55 118.70 116.48 3hfk s GLU 104 Ca 0.36 -0.17 -0.26 0.00 0.36 0.00 0.00 54.97 55.26 3hfk s GLU 104 Cb -0.09 -1.19 -0.10 0.00 0.26 0.00 0.00 34.13 33.01 3hfk s GLU 104 CO 0.29 -0.15 0.98 -1.21 -0.54 0.00 0.00 175.26 174.63 3hfk s GLU 105 N 1.29 4.52 -0.01 4.30 8.01 -1.26 -4.97 118.70 130.59 3hfk s GLU 105 Ca -0.04 1.43 0.17 0.00 0.01 0.00 0.00 54.97 56.54 3hfk s GLU 105 Cb -0.14 -2.82 -0.22 0.00 -4.31 0.00 0.00 34.13 26.64 3hfk s GLU 105 CO -0.03 0.20 0.61 1.28 0.01 0.00 0.00 175.26 177.33 3hfk n LEU 106 N 0.57 0.52 0.00 1.80 4.77 -1.26 -5.14 117.00 118.25 3hfk n LEU 106 Ca 0.02 -0.32 0.00 0.00 -0.03 0.00 0.00 56.01 55.68 3hfk n LEU 106 Cb 0.49 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.58 3hfk n LEU 106 CO 0.46 0.13 0.00 1.33 -1.33 0.00 0.00 177.39 177.98