#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hfk n GLN -7 N 0.00 0.70 -0.23 -0.52 3.00 -1.26 -1.43 117.38 117.64 3hfk n GLN -7 Ca 0.00 0.23 -0.06 0.00 -0.01 0.00 0.00 57.00 57.17 3hfk n GLN -7 Cb 0.00 -1.69 0.05 0.00 0.00 0.00 0.00 30.24 28.59 3hfk n GLN -7 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 177.06 177.41 3hfk h PHE -6 N 0.03 0.84 -0.39 1.08 3.57 -2.05 -3.03 116.94 116.99 3hfk h PHE -6 Ca -0.41 0.01 0.01 0.00 3.53 0.00 0.00 57.97 61.11 3hfk h PHE -6 Cb 2.03 -0.28 -0.02 0.00 2.79 0.00 0.00 35.95 40.47 3hfk h PHE -6 CO 0.04 0.54 0.26 0.93 -2.23 0.00 0.00 178.31 177.85 3hfk h GLU -5 N 0.89 0.50 -0.21 1.11 5.08 -1.94 0.82 114.58 120.83 3hfk h GLU -5 Ca 0.24 -0.03 -0.03 0.00 -1.00 0.00 0.00 59.36 58.53 3hfk h GLU -5 Cb -0.08 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 29.05 3hfk h GLU -5 CO -0.05 0.33 -0.00 -0.22 -1.00 0.00 0.00 179.01 178.07 3hfk h LYS -4 N 0.51 0.37 -0.19 2.33 3.64 -1.23 -0.67 116.57 121.33 3hfk h LYS -4 Ca 0.14 -0.12 -0.10 0.00 -1.27 0.00 0.00 60.65 59.31 3hfk h LYS -4 Cb -0.04 -0.03 -0.00 0.00 -0.41 0.00 0.00 32.23 31.75 3hfk h LYS -4 CO -0.03 0.56 -0.25 0.82 -2.27 0.00 0.00 179.45 178.28 3hfk h ILE -3 N 0.13 1.34 -0.73 2.00 1.08 -1.26 -2.91 117.51 117.15 3hfk h ILE -3 Ca 0.06 -1.45 0.14 0.00 -0.39 0.00 0.00 64.86 63.22 3hfk h ILE -3 Cb 0.40 1.83 -0.10 0.00 -3.07 0.00 0.00 36.82 35.88 3hfk h ILE -3 CO 0.01 0.44 0.27 -0.08 -0.69 0.00 0.00 178.15 178.10 3hfk h GLU -2 N 0.17 0.39 -0.67 2.37 4.81 -0.88 0.37 114.58 121.15 3hfk h GLU -2 Ca 0.02 -0.02 0.17 0.00 -0.13 0.00 0.00 59.36 59.40 3hfk h GLU -2 Cb 0.82 -0.09 -0.03 0.00 0.63 0.00 0.00 28.75 30.08 3hfk h GLU -2 CO 0.06 0.26 0.47 0.78 -0.73 0.00 0.00 179.01 179.84 3hfk h GLY -1 N 0.40 0.26 -1.32 1.92 0.00 -0.92 -2.02 103.07 101.39 3hfk h GLY -1 Ca 0.40 -0.06 0.00 0.00 0.00 0.00 0.00 47.33 47.67 3hfk h GLY -1 CO -0.41 0.02 0.00 0.54 0.00 0.00 0.00 176.54 176.69 3hfk n ARG 0 N -4.40 1.96 -0.76 4.80 1.74 0.10 -4.86 116.66 115.24 3hfk n ARG 0 Ca 0.13 -1.46 -0.29 0.00 -0.77 0.00 0.00 57.85 55.46 3hfk n ARG 0 Cb 0.64 -1.41 0.24 0.00 -1.02 0.00 0.00 32.46 30.91 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 -1.65 -1.30 -0.26 5.56 -1.94 -0.76 -4.93 119.30 114.03 3hfk s MET 1 Ca 0.33 0.35 -0.29 0.00 -1.71 0.00 0.00 55.69 54.36 3hfk s MET 1 Cb 0.18 -1.55 -0.00 0.00 2.01 0.00 0.00 34.83 35.47 3hfk s MET 1 CO 0.26 -3.85 1.29 0.42 -0.01 0.00 0.00 175.02 173.13 3hfk s ILE 2 N -2.65 4.19 -0.07 2.53 1.01 -0.61 -4.88 121.20 120.72 3hfk s ILE 2 Ca 0.68 1.38 0.04 0.00 0.00 0.00 0.00 60.65 62.76 3hfk s ILE 2 Cb -0.17 -4.11 0.00 0.00 0.01 0.00 0.00 42.46 38.20 3hfk s ILE 2 CO 0.59 -0.36 -0.19 -0.13 0.00 0.00 0.00 174.94 174.86 3hfk s ARG 3 N 3.94 2.25 -0.15 2.79 0.52 -1.26 -0.77 118.95 126.27 3hfk s ARG 3 Ca 0.56 -0.67 0.00 0.00 -0.52 0.00 0.00 55.73 55.10 3hfk s ARG 3 Cb -0.18 -1.81 -0.00 0.00 0.52 0.00 0.00 34.95 33.47 3hfk s ARG 3 CO 0.20 0.17 -0.16 0.42 0.02 0.00 0.00 175.30 175.95 3hfk s ILE 4 N 0.30 2.64 0.07 1.52 1.01 -0.49 -1.60 121.20 124.66 3hfk s ILE 4 Ca -0.12 -0.78 0.02 0.00 0.00 0.00 0.00 60.65 59.77 3hfk s ILE 4 Cb -0.15 -2.11 -0.04 0.00 0.01 0.00 0.00 42.46 40.17 3hfk s ILE 4 CO 0.05 0.52 0.10 -0.22 0.00 0.00 0.00 174.94 175.38 3hfk s LEU 5 N 0.77 3.88 -0.02 2.97 0.20 -0.29 -1.14 118.68 125.04 3hfk s LEU 5 Ca -0.06 0.03 0.02 0.00 0.69 0.00 0.00 54.13 54.81 3hfk s LEU 5 Cb -0.15 -2.54 0.01 0.00 -0.43 0.00 0.00 46.19 43.07 3hfk s LEU 5 CO 0.01 0.18 -0.06 -0.31 -0.29 0.00 0.00 176.35 175.87 3hfk s TYR 6 N -1.40 0.71 -0.14 5.38 2.02 0.63 0.06 117.35 124.61 3hfk s TYR 6 Ca 0.30 -0.16 -0.17 0.00 -0.37 0.00 0.00 57.07 56.66 3hfk s TYR 6 Cb -0.12 -0.54 -0.04 0.00 -0.40 0.00 0.00 41.96 40.86 3hfk s TYR 6 CO 0.22 -0.09 0.43 -0.51 -1.57 0.00 0.00 175.55 174.03 3hfk s LEU 7 N 0.29 4.24 -0.12 -1.29 1.43 -0.25 -1.08 118.68 121.90 3hfk s LEU 7 Ca -0.04 0.70 -0.00 0.00 -1.03 0.00 0.00 54.13 53.76 3hfk s LEU 7 Cb -0.08 -2.60 -0.02 0.00 0.03 0.00 0.00 46.19 43.52 3hfk s LEU 7 CO 0.00 -0.00 -0.10 -0.76 0.23 0.00 0.00 176.35 175.72 3hfk s LEU 8 N 0.75 2.89 -0.12 1.79 1.43 -0.12 -1.30 118.68 123.99 3hfk s LEU 8 Ca 0.23 -0.23 0.01 0.00 -1.03 0.00 0.00 54.13 53.10 3hfk s LEU 8 Cb -0.15 -1.65 -0.01 0.00 0.03 0.00 0.00 46.19 44.41 3hfk s LEU 8 CO 0.08 0.21 -0.15 -0.69 0.23 0.00 0.00 176.35 176.04 3hfk s VAL 9 N 0.07 2.91 0.74 -1.59 1.01 -0.34 -0.62 120.40 122.59 3hfk s VAL 9 Ca -0.04 -0.71 -0.14 0.00 0.00 0.00 0.00 61.98 61.09 3hfk s VAL 9 Cb -0.14 -2.21 0.04 0.00 0.00 0.00 0.00 36.38 34.07 3hfk s VAL 9 CO 0.04 0.53 1.15 -1.59 0.00 0.00 0.00 175.10 175.23 3hfk s LYS 10 N 0.32 2.23 0.45 2.72 -2.85 -1.26 -0.25 119.74 121.09 3hfk s LYS 10 Ca -0.12 1.54 -0.26 0.00 -1.00 0.00 0.00 55.97 56.14 3hfk s LYS 10 Cb -0.16 -1.87 -0.09 0.00 -2.06 0.00 0.00 37.83 33.66 3hfk s LYS 10 CO 0.06 -1.72 1.45 -2.14 0.10 0.00 0.00 175.35 173.10 3hfk s PRO 11 N -4.19 3.71 0.36 1.78 0.02 -1.26 -4.24 135.00 131.18 3hfk s PRO 11 Ca 0.69 2.46 0.15 0.00 0.02 0.00 0.00 61.00 64.33 3hfk s PRO 11 Cb -0.24 -2.69 1.05 0.00 0.02 0.00 0.00 34.50 32.65 3hfk s PRO 11 CO 0.47 -0.81 1.71 1.49 -0.33 0.00 0.00 177.00 179.52 3hfk h GLU 12 N 2.38 0.40 -0.01 5.54 4.22 -1.96 -1.74 114.58 123.41 3hfk h GLU 12 Ca -0.51 -0.02 0.00 0.00 0.08 0.00 0.00 59.36 58.91 3hfk h GLU 12 Cb 1.26 -0.09 0.00 0.00 0.50 0.00 0.00 28.75 30.42 3hfk h GLU 12 CO 0.61 0.26 -0.29 -1.13 -2.18 0.00 0.00 179.01 176.29 3hfk n SER 13 N -4.86 1.17 -4.88 1.04 3.41 -1.26 -4.93 113.62 103.32 3hfk n SER 13 Ca 0.29 -0.99 -0.35 0.00 -0.26 0.00 0.00 58.87 57.56 3hfk n SER 13 Cb 0.92 0.19 -0.05 0.00 -0.26 0.00 0.00 64.21 65.00 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 -2.50 3.59 0.48 4.33 -2.45 -0.66 -5.10 119.30 117.00 3hfk s MET 14 Ca 0.23 -0.04 -0.19 0.00 -1.25 0.00 0.00 55.69 54.44 3hfk s MET 14 Cb 0.19 -3.10 -0.09 0.00 1.25 0.00 0.00 34.83 33.08 3hfk s MET 14 CO 0.53 0.67 0.99 -1.54 1.05 0.00 0.00 175.02 176.72 3hfk s SER 15 N -1.56 6.58 0.22 1.11 1.04 -1.26 -4.80 113.70 115.03 3hfk s SER 15 Ca 0.26 1.75 -0.10 0.00 0.48 0.00 0.00 55.95 58.34 3hfk s SER 15 Cb -0.13 -2.54 0.32 0.00 0.10 0.00 0.00 66.02 63.77 3hfk s SER 15 CO 0.14 -0.61 1.66 -0.74 0.98 0.00 0.00 173.24 174.67 3hfk h HIS 16 N 1.47 -0.01 -0.70 5.02 2.76 -1.99 -1.34 115.15 120.36 3hfk h HIS 16 Ca -0.49 0.05 0.08 0.00 -2.20 0.00 0.00 60.37 57.81 3hfk h HIS 16 Cb 1.20 0.11 -0.07 0.00 1.55 0.00 0.00 27.41 30.20 3hfk h HIS 16 CO 0.60 -0.16 0.36 1.49 -1.30 0.00 0.00 177.93 178.92 3hfk h GLU 17 N 0.13 0.61 0.03 5.26 4.81 -2.01 -1.03 114.58 122.38 3hfk h GLU 17 Ca 0.34 -0.04 -0.22 0.00 -0.13 0.00 0.00 59.36 59.32 3hfk h GLU 17 Cb 0.56 -0.14 -0.01 0.00 0.63 0.00 0.00 28.75 29.79 3hfk h GLU 17 CO -0.54 0.40 -0.98 0.37 -0.73 0.00 0.00 179.01 177.53 3hfk h GLN 18 N 0.63 0.17 -0.62 1.92 5.75 -1.83 -3.02 115.11 118.11 3hfk h GLN 18 Ca 0.33 -0.23 0.04 0.00 -0.15 0.00 0.00 58.65 58.65 3hfk h GLN 18 Cb 0.31 0.07 -0.05 0.00 1.07 0.00 0.00 27.48 28.89 3hfk h GLN 18 CO -0.24 1.02 0.35 0.35 -2.65 0.00 0.00 178.83 177.66 3hfk h PHE 19 N 0.08 0.66 -0.13 3.99 3.57 -0.23 -0.91 116.94 123.96 3hfk h PHE 19 Ca -0.06 0.02 0.02 0.00 3.53 0.00 0.00 57.97 61.49 3hfk h PHE 19 Cb 1.66 -0.20 -0.02 0.00 2.79 0.00 0.00 35.95 40.18 3hfk h PHE 19 CO 0.03 0.34 -0.02 -0.09 -2.23 0.00 0.00 178.31 176.34 3hfk h ARG 20 N 0.68 0.01 -0.87 1.11 2.43 -1.16 -0.71 114.38 115.87 3hfk h ARG 20 Ca 0.27 -0.00 0.10 0.00 -0.81 0.00 0.00 59.98 59.53 3hfk h ARG 20 Cb 0.11 -0.00 -0.07 0.00 -0.42 0.00 0.00 29.97 29.58 3hfk h ARG 20 CO -0.15 0.01 0.52 0.87 -1.51 0.00 0.00 179.97 179.71 3hfk h LYS 21 N 0.01 0.84 0.00 0.20 1.57 -1.37 -2.52 116.57 115.31 3hfk h LYS 21 Ca 0.06 -0.05 -0.12 0.00 -1.87 0.00 0.00 60.65 58.67 3hfk h LYS 21 Cb 0.08 -0.19 -0.02 0.00 0.08 0.00 0.00 32.23 32.19 3hfk h LYS 21 CO -0.12 0.55 -0.59 0.93 -0.57 0.00 0.00 179.45 179.66 3hfk h GLU 22 N 0.86 0.00 -0.59 3.15 4.39 -0.54 -1.07 114.58 120.79 3hfk h GLU 22 Ca 0.42 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 60.11 3hfk h GLU 22 Cb 0.37 0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 28.99 3hfk h GLU 22 CO -0.24 0.59 0.32 0.00 -1.16 0.00 0.00 179.01 178.51 3hfk h VAL 24 N 0.79 1.13 -0.61 0.00 2.07 -1.07 -1.55 116.25 117.01 3hfk h VAL 24 Ca 0.21 -0.36 0.07 0.00 0.82 0.00 0.00 66.70 67.44 3hfk h VAL 24 Cb 0.05 0.93 -0.06 0.00 -1.52 0.00 0.00 31.29 30.69 3hfk h VAL 24 CO -0.03 0.13 0.30 0.58 0.02 0.00 0.00 177.57 178.57 3hfk h VAL 25 N 0.27 0.90 -0.98 2.57 2.07 -0.97 -1.10 116.25 119.00 3hfk h VAL 25 Ca 0.08 -0.19 0.01 0.00 0.82 0.00 0.00 66.70 67.42 3hfk h VAL 25 Cb 0.09 0.30 -0.05 0.00 -1.52 0.00 0.00 31.29 30.11 3hfk h VAL 25 CO -0.01 0.10 0.63 -0.74 0.02 0.00 0.00 177.57 177.57 3hfk h HIS 26 N 0.55 1.25 -0.19 1.57 2.76 -0.43 -0.31 115.15 120.35 3hfk h HIS 26 Ca 0.29 0.02 -0.00 0.00 -2.20 0.00 0.00 60.37 58.47 3hfk h HIS 26 Cb 0.25 -0.42 -0.01 0.00 1.55 0.00 0.00 27.41 28.78 3hfk h HIS 26 CO -0.11 0.80 0.11 0.35 -1.30 0.00 0.00 177.93 177.78 3hfk h PHE 27 N 1.34 0.27 -0.73 5.26 3.57 -0.76 -2.43 116.94 123.46 3hfk h PHE 27 Ca 0.36 -0.01 0.05 0.00 3.53 0.00 0.00 57.97 61.90 3hfk h PHE 27 Cb -0.13 -0.09 -0.04 0.00 2.79 0.00 0.00 35.95 38.48 3hfk h PHE 27 CO 0.00 0.25 0.48 1.96 -2.23 0.00 0.00 178.31 178.77 3hfk h GLN 28 N 0.21 0.79 0.00 1.11 4.20 -0.50 -1.10 115.11 119.82 3hfk h GLN 28 Ca 0.07 -0.05 0.00 0.00 0.06 0.00 0.00 58.65 58.73 3hfk h GLN 28 Cb 0.07 -0.18 0.00 0.00 0.30 0.00 0.00 27.48 27.68 3hfk h GLN 28 CO -0.01 0.53 0.00 0.52 -0.67 0.00 0.00 178.83 179.19 3hfk h MET 29 N 0.82 0.00 0.00 1.46 2.86 -0.67 -2.94 114.93 116.46 3hfk h MET 29 Ca 0.30 0.00 -0.06 0.00 -2.06 0.00 0.00 59.70 57.88 3hfk h MET 29 Cb 0.17 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 31.82 3hfk h MET 29 CO -0.10 0.00 -0.30 0.66 1.06 0.00 0.00 176.91 178.23 3hfk h SER 30 N 0.00 0.00 -2.14 1.22 4.64 -0.73 -3.43 113.55 113.11 3hfk h SER 30 Ca 0.00 0.00 -0.60 0.00 -0.47 0.00 0.00 61.79 60.72 3hfk h SER 30 Cb 0.41 0.00 0.04 0.00 -0.31 0.00 0.00 62.40 62.53 3hfk h SER 30 CO 0.00 0.30 0.92 0.00 -0.87 0.00 0.00 176.83 177.18 3hfk n ALA 31 N -2.20 1.05 -1.03 5.18 0.00 -1.11 -1.32 120.51 121.08 3hfk n ALA 31 Ca 0.02 0.38 -0.01 0.00 0.00 0.00 0.00 53.44 53.83 3hfk n ALA 31 Cb 0.59 -2.40 -0.00 0.00 0.00 0.00 0.00 19.45 17.64 3hfk n ALA 31 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3hfk n GLY 32 N 3.82 0.42 3.68 0.00 0.00 -1.26 -4.98 105.19 106.86 3hfk n GLY 32 Ca 0.20 -0.10 -0.42 0.00 0.00 0.00 0.00 46.02 45.69 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 -0.90 4.14 0.28 1.61 0.00 -0.44 -4.88 119.30 119.11 3hfk s MET 33 Ca 0.00 2.62 -0.30 0.00 0.00 0.00 0.00 55.69 58.00 3hfk s MET 33 Cb 0.00 -3.87 -0.12 0.00 0.00 0.00 0.00 34.83 30.84 3hfk s MET 33 CO 0.00 -0.90 1.63 -2.14 0.00 0.00 0.00 175.02 173.61 3hfk s PRO 34 N 3.59 4.11 0.00 4.11 0.02 -1.26 -1.83 135.00 143.74 3hfk s PRO 34 Ca 0.85 2.60 0.00 0.00 0.02 0.00 0.00 61.00 64.47 3hfk s PRO 34 Cb -0.45 -3.03 0.00 0.00 0.02 0.00 0.00 34.50 31.05 3hfk s PRO 34 CO 0.39 -0.67 0.00 0.41 -0.33 0.00 0.00 177.00 176.80 3hfk n GLY 35 N 2.54 2.56 3.68 0.52 0.00 -1.26 -3.18 105.19 110.04 3hfk n GLY 35 Ca 0.10 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.72 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 -4.42 118.68 121.63 3hfk s LEU 36 Ca 0.00 0.91 -0.11 0.00 -0.22 0.00 0.00 54.13 54.71 3hfk s LEU 36 Cb 0.00 -2.92 -0.32 0.00 0.50 0.00 0.00 46.19 43.45 3hfk s LEU 36 CO 0.00 -0.23 0.80 -0.74 -1.32 0.00 0.00 176.35 174.86 3hfk h HIS 37 N 7.28 0.75 -2.14 5.38 -0.00 -1.10 -3.46 115.15 121.85 3hfk h HIS 37 Ca -0.34 -0.55 -0.06 0.00 -0.00 0.00 0.00 60.37 59.43 3hfk h HIS 37 Cb 1.15 -0.03 -0.20 0.00 -0.00 0.00 0.00 27.41 28.33 3hfk h HIS 37 CO 0.69 1.59 0.10 0.21 -0.00 0.00 0.00 177.93 180.52 3hfk s LYS 38 N -2.59 0.89 0.03 5.26 2.20 -1.15 -4.98 119.74 119.41 3hfk s LYS 38 Ca -0.13 0.55 0.04 0.00 -0.36 0.00 0.00 55.97 56.07 3hfk s LYS 38 Cb 0.05 0.43 -0.02 0.00 -1.51 0.00 0.00 37.83 36.78 3hfk s LYS 38 CO 0.88 -0.20 -0.11 -0.47 -0.36 0.00 0.00 175.35 175.09 3hfk s TYR 39 N -0.45 0.95 -0.01 4.03 5.04 -1.26 -1.47 117.35 124.17 3hfk s TYR 39 Ca -0.06 -0.35 -0.01 0.00 -2.44 0.00 0.00 57.07 54.21 3hfk s TYR 39 Cb -0.03 -0.57 0.01 0.00 0.35 0.00 0.00 41.96 41.72 3hfk s TYR 39 CO 0.05 -0.00 0.03 -2.00 -1.34 0.00 0.00 175.55 172.29 3hfk s GLU 40 N -1.10 0.03 -0.02 4.97 2.12 -0.08 -4.98 118.70 119.64 3hfk s GLU 40 Ca -0.02 0.07 0.02 0.00 0.36 0.00 0.00 54.97 55.41 3hfk s GLU 40 Cb -0.07 -0.02 0.00 0.00 0.26 0.00 0.00 34.13 34.30 3hfk s GLU 40 CO 0.01 -0.03 -0.08 0.54 -0.54 0.00 0.00 175.26 175.16 3hfk s VAL 41 N 0.16 0.71 0.01 3.70 0.11 -1.26 -0.86 120.40 122.97 3hfk s VAL 41 Ca -0.01 -0.34 0.00 0.00 -2.93 0.00 0.00 61.98 58.70 3hfk s VAL 41 Cb -0.02 -0.63 -0.01 0.00 -1.53 0.00 0.00 36.38 34.19 3hfk s VAL 41 CO -0.00 0.22 -0.02 -0.13 -3.33 0.00 0.00 175.10 171.84 3hfk s ARG 42 N 0.11 0.20 0.48 1.54 0.52 -0.25 -4.99 118.95 116.56 3hfk s ARG 42 Ca -0.01 -0.38 -0.18 0.00 -0.52 0.00 0.00 55.73 54.63 3hfk s ARG 42 Cb -0.07 0.06 -0.09 0.00 0.52 0.00 0.00 34.95 35.38 3hfk s ARG 42 CO 0.00 -0.03 0.98 -0.51 0.02 0.00 0.00 175.30 175.76 3hfk s LEU 43 N -0.92 3.74 -0.38 2.53 1.43 -1.26 -0.57 118.68 123.25 3hfk s LEU 43 Ca -0.10 1.63 -0.27 0.00 -1.03 0.00 0.00 54.13 54.36 3hfk s LEU 43 Cb -0.06 -4.52 0.02 0.00 0.03 0.00 0.00 46.19 41.65 3hfk s LEU 43 CO -0.01 -0.52 0.98 -0.69 0.23 0.00 0.00 176.35 176.34 3hfk s VAL 44 N -2.45 4.51 -0.07 -1.59 1.01 -0.40 -4.82 120.40 116.59 3hfk s VAL 44 Ca 0.60 1.24 0.19 0.00 0.00 0.00 0.00 61.98 64.01 3hfk s VAL 44 Cb -0.10 -4.39 -0.29 0.00 0.00 0.00 0.00 36.38 31.60 3hfk s VAL 44 CO 0.25 -0.62 0.34 0.00 0.00 0.00 0.00 175.10 175.06 3hfk n ALA 45 N 6.97 2.40 -2.95 5.51 0.00 -1.26 -4.92 120.51 126.25 3hfk n ALA 45 Ca 0.08 -0.71 -0.11 0.00 0.00 0.00 0.00 53.44 52.71 3hfk n ALA 45 Cb 0.48 -0.54 -0.12 0.00 0.00 0.00 0.00 19.45 19.27 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 -4.64 0.09 -0.50 0.00 0.00 -1.26 -5.08 107.32 95.93 3hfk s GLY 46 Ca -0.08 -0.22 0.07 0.00 0.00 0.00 0.00 44.72 44.49 3hfk s GLY 46 CO 0.83 -0.27 0.63 0.70 0.00 0.00 0.00 173.10 174.99 3hfk n ASN 47 N 2.31 1.78 -4.75 1.64 3.02 -1.26 -5.10 115.26 112.90 3hfk n ASN 47 Ca -0.18 -3.04 -0.41 0.00 -0.03 0.00 0.00 54.58 50.92 3hfk n ASN 47 Cb 0.57 -0.65 -0.02 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 -1.82 4.29 0.00 3.52 0.04 -1.26 -4.91 135.00 134.85 3hfk s PRO 48 Ca 0.38 2.27 0.13 0.00 0.04 0.00 0.00 61.00 63.82 3hfk s PRO 48 Cb 0.17 -3.10 0.07 0.00 0.04 0.00 0.00 34.50 31.68 3hfk s PRO 48 CO -0.07 -0.37 0.86 0.25 0.04 0.00 0.00 177.00 177.72 3hfk n THR 49 N 2.01 0.00 -1.53 1.26 -2.24 -1.26 -4.73 114.28 107.80 3hfk n THR 49 Ca 0.05 -0.46 -0.36 0.00 -2.27 0.00 0.00 64.05 61.01 3hfk n THR 49 Cb 0.41 1.24 -0.03 0.00 -2.10 0.00 0.00 70.33 69.84 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 0.47 8.12 -4.84 3.42 3.85 -1.26 -4.84 116.55 121.47 3hfk n ASP 50 Ca 0.07 -2.79 -0.32 0.00 -0.71 0.00 0.00 54.79 51.03 3hfk n ASP 50 Cb 0.31 -1.46 -0.06 0.00 -1.35 0.00 0.00 41.12 38.56 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 0.69 4.53 -0.06 2.12 -4.23 -1.26 -4.97 115.64 112.47 3hfk s THR 51 Ca 0.64 1.21 0.26 0.00 -1.18 0.00 0.00 61.69 62.62 3hfk s THR 51 Cb 0.20 -3.64 0.30 0.00 1.34 0.00 0.00 72.50 70.70 3hfk s THR 51 CO -0.08 -0.38 1.79 0.00 -0.54 0.00 0.00 174.62 175.41 3hfk h ALA 52 N 1.73 0.97 -1.66 3.99 0.00 -2.01 -3.45 119.26 118.83 3hfk h ALA 52 Ca -0.48 -0.11 -0.58 0.00 0.00 0.00 0.00 54.91 53.75 3hfk h ALA 52 Cb 1.18 -0.02 -0.09 0.00 0.00 0.00 0.00 17.79 18.86 3hfk h ALA 52 CO 0.62 0.15 -0.53 0.14 0.00 0.00 0.00 179.25 179.63 3hfk s VAL 53 N -3.47 2.34 0.20 0.00 -7.23 -1.26 -5.07 120.40 105.90 3hfk s VAL 53 Ca 0.03 -1.78 -0.32 0.00 -1.81 0.00 0.00 61.98 58.10 3hfk s VAL 53 Cb 0.08 -2.97 -0.15 0.00 0.56 0.00 0.00 36.38 33.91 3hfk s VAL 53 CO 0.62 -0.04 1.29 -2.65 -0.31 0.00 0.00 175.10 174.02 3hfk n PRO 54 N -1.15 1.59 -2.56 4.82 -0.02 -1.26 -4.90 135.00 131.51 3hfk n PRO 54 Ca -0.02 0.57 -0.41 0.00 -2.02 0.00 0.00 63.50 61.62 3hfk n PRO 54 Cb 0.64 -2.15 -0.05 0.00 -0.02 0.00 0.00 33.50 31.93 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 -0.07 3.68 -0.25 6.00 5.04 -1.26 -5.03 117.35 125.46 3hfk s TYR 55 Ca 0.71 1.71 -0.09 0.00 -2.44 0.00 0.00 57.07 56.97 3hfk s TYR 55 Cb -0.76 -3.20 -0.04 0.00 0.35 0.00 0.00 41.96 38.31 3hfk s TYR 55 CO 0.50 -0.31 0.13 -1.17 -1.34 0.00 0.00 175.55 173.35 3hfk s LEU 56 N -0.89 3.79 -0.38 6.97 2.96 -1.26 -5.06 118.68 124.82 3hfk s LEU 56 Ca 0.46 -0.05 -0.15 0.00 -0.22 0.00 0.00 54.13 54.16 3hfk s LEU 56 Cb -0.29 -2.03 0.00 0.00 0.50 0.00 0.00 46.19 44.37 3hfk s LEU 56 CO 0.36 0.00 0.34 -0.62 -1.32 0.00 0.00 176.35 175.11 3hfk s ASP 57 N 1.43 6.14 -0.10 3.68 -1.08 -1.26 -4.90 116.67 120.57 3hfk s ASP 57 Ca 0.06 -0.54 0.14 0.00 -0.52 0.00 0.00 52.55 51.70 3hfk s ASP 57 Cb -0.15 -2.18 0.44 0.00 -1.46 0.00 0.00 42.92 39.57 3hfk s ASP 57 CO 0.06 -0.39 1.36 1.33 0.52 0.00 0.00 175.17 178.04 3hfk n VAL 58 N 5.23 1.76 -4.01 1.11 0.24 -1.26 -5.10 118.33 116.30 3hfk n VAL 58 Ca -0.10 -1.51 0.00 0.00 -2.04 0.00 0.00 64.34 60.69 3hfk n VAL 58 Cb 0.48 0.06 0.00 0.00 -1.47 0.00 0.00 33.84 32.91 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 -0.06 -1.97 3.60 7.63 0.00 -1.26 -4.81 105.19 108.31 3hfk n GLY 59 Ca 0.17 -1.40 -0.42 0.00 0.00 0.00 0.00 46.02 44.38 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 -0.18 1.61 3.52 -1.26 -5.04 118.95 121.50 3hfk s ARG 60 Ca 0.00 0.40 -0.05 0.00 -0.13 0.00 0.00 55.73 55.95 3hfk s ARG 60 Cb 0.00 -3.74 -0.03 0.00 -1.56 0.00 0.00 34.95 29.62 3hfk s ARG 60 CO 0.00 -0.66 0.01 0.42 -0.81 0.00 0.00 175.30 174.26 3hfk s ILE 61 N 2.81 4.19 -0.12 4.11 -1.09 -1.26 -4.83 121.20 125.01 3hfk s ILE 61 Ca 0.29 -0.24 0.06 0.00 -2.23 0.00 0.00 60.65 58.52 3hfk s ILE 61 Cb -0.14 -2.87 -0.24 0.00 -1.58 0.00 0.00 42.46 37.63 3hfk s ILE 61 CO 0.13 0.46 0.36 0.47 -1.23 0.00 0.00 174.94 175.13 3hfk n ASP 62 N 3.77 1.28 -3.89 3.58 8.00 0.21 -4.66 116.55 124.84 3hfk n ASP 62 Ca -0.17 0.21 -0.09 0.00 0.71 0.00 0.00 54.79 55.45 3hfk n ASP 62 Cb 0.52 -0.20 -0.07 0.00 -0.02 0.00 0.00 41.12 41.35 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 -2.56 -0.16 -0.17 2.24 0.00 -0.84 -1.27 121.76 119.01 3hfk s ALA 63 Ca -0.15 -0.70 0.01 0.00 0.00 0.00 0.00 51.96 51.12 3hfk s ALA 63 Cb 0.07 0.63 0.02 0.00 0.00 0.00 0.00 23.12 23.84 3hfk s ALA 63 CO 0.78 -0.56 -0.18 0.42 0.00 0.00 0.00 175.76 176.22 3hfk s ILE 64 N -3.90 1.89 0.26 0.00 -1.09 0.27 -0.95 121.20 117.68 3hfk s ILE 64 Ca 0.09 -0.84 0.09 0.00 -2.23 0.00 0.00 60.65 57.76 3hfk s ILE 64 Cb 0.04 -1.73 -0.04 0.00 -1.58 0.00 0.00 42.46 39.16 3hfk s ILE 64 CO -0.07 0.51 0.05 -0.83 -1.23 0.00 0.00 174.94 173.37 3hfk s GLY 65 N 1.32 1.60 -0.21 6.18 0.00 -0.24 -1.09 107.32 114.87 3hfk s GLY 65 Ca 0.04 -1.58 -0.18 0.00 0.00 0.00 0.00 44.72 43.00 3hfk s GLY 65 CO -0.11 -1.64 0.54 1.85 0.00 0.00 0.00 173.10 173.74 3hfk s GLU 66 N -3.67 0.61 -0.01 2.90 2.12 -0.04 -0.27 118.70 120.34 3hfk s GLU 66 Ca 0.32 0.80 0.06 0.00 0.36 0.00 0.00 54.97 56.50 3hfk s GLU 66 Cb -0.07 0.26 -0.02 0.00 0.26 0.00 0.00 34.13 34.57 3hfk s GLU 66 CO 0.21 -0.09 -0.19 0.00 -0.54 0.00 0.00 175.26 174.65 3hfk s TRP 68 N -0.46 2.70 -0.05 0.00 0.51 -0.54 -1.40 118.94 119.69 3hfk s TRP 68 Ca 0.07 -0.65 0.04 0.00 -2.12 0.00 0.00 56.10 53.44 3hfk s TRP 68 Cb -0.07 -1.75 0.00 0.00 -0.81 0.00 0.00 33.47 30.84 3hfk s TRP 68 CO -0.01 -0.19 -0.16 -0.06 -0.51 0.00 0.00 176.95 176.03 3hfk s PHE 69 N 0.11 1.66 -0.32 -1.98 0.08 0.05 -0.48 117.98 117.09 3hfk s PHE 69 Ca -0.08 -0.53 0.26 0.00 0.12 0.00 0.00 56.93 56.70 3hfk s PHE 69 Cb -0.15 -1.14 0.65 0.00 -0.57 0.00 0.00 43.02 41.81 3hfk s PHE 69 CO 0.05 -0.21 1.72 0.00 -0.10 0.00 0.00 175.22 176.68 3hfk h ALA 70 N 6.50 1.00 -2.66 5.36 0.00 -1.87 -1.62 119.26 125.97 3hfk h ALA 70 Ca -0.31 0.00 0.09 0.00 0.00 0.00 0.00 54.91 54.69 3hfk h ALA 70 Cb 1.18 0.00 -0.10 0.00 0.00 0.00 0.00 17.79 18.87 3hfk h ALA 70 CO 0.48 0.00 0.35 -1.54 0.00 0.00 0.00 179.25 178.54 3hfk s SER 71 N -5.93 -0.34 0.23 0.00 1.04 -1.26 -4.80 113.70 102.65 3hfk s SER 71 Ca 0.06 -0.26 -0.08 0.00 0.48 0.00 0.00 55.95 56.14 3hfk s SER 71 Cb 0.07 0.55 0.22 0.00 0.10 0.00 0.00 66.02 66.96 3hfk s SER 71 CO 0.63 -0.97 1.91 -0.08 0.98 0.00 0.00 173.24 175.70 3hfk h GLU 72 N 2.00 1.19 -0.64 4.02 4.57 -2.00 -1.67 114.58 122.06 3hfk h GLU 72 Ca -0.25 -0.07 -0.05 0.00 -1.18 0.00 0.00 59.36 57.81 3hfk h GLU 72 Cb 1.26 -0.27 -0.03 0.00 -0.16 0.00 0.00 28.75 29.55 3hfk h GLU 72 CO 0.29 0.79 0.20 0.93 -1.18 0.00 0.00 179.01 180.04 3hfk h GLU 73 N 1.23 0.99 -0.61 1.92 3.07 -1.99 -1.18 114.58 118.02 3hfk h GLU 73 Ca 0.33 -0.22 -0.08 0.00 -0.50 0.00 0.00 59.36 58.90 3hfk h GLU 73 Cb -0.14 -0.14 -0.02 0.00 -0.84 0.00 0.00 28.75 27.61 3hfk h GLU 73 CO -0.07 0.88 0.06 1.96 -1.40 0.00 0.00 179.01 180.44 3hfk h GLN 74 N 0.92 1.01 -0.90 2.33 1.08 -1.80 0.78 115.11 118.53 3hfk h GLN 74 Ca 0.21 -0.28 0.04 0.00 -1.45 0.00 0.00 58.65 57.17 3hfk h GLN 74 Cb 0.30 -0.12 -0.05 0.00 -0.05 0.00 0.00 27.48 27.56 3hfk h GLN 74 CO -0.01 0.95 0.58 -0.92 -0.95 0.00 0.00 178.83 178.49 3hfk h TYR 75 N 0.94 1.09 -0.61 2.96 3.20 -1.03 -0.88 116.97 122.64 3hfk h TYR 75 Ca 0.18 0.03 -0.09 0.00 3.14 0.00 0.00 58.73 61.99 3hfk h TYR 75 Cb 0.46 -0.36 -0.02 0.00 1.54 0.00 0.00 36.73 38.34 3hfk h TYR 75 CO 0.03 0.62 0.03 1.96 -1.64 0.00 0.00 178.16 179.16 3hfk h GLN 76 N 1.12 1.05 0.20 1.82 1.08 -0.51 0.21 115.11 120.08 3hfk h GLN 76 Ca 0.36 -0.32 0.00 0.00 -1.45 0.00 0.00 58.65 57.25 3hfk h GLN 76 Cb 0.02 -0.11 -0.01 0.00 -0.05 0.00 0.00 27.48 27.33 3hfk h GLN 76 CO -0.12 1.01 -0.17 0.28 -0.95 0.00 0.00 178.83 178.88 3hfk h VAL 77 N 0.97 0.63 -0.38 -0.54 2.07 -0.44 -0.79 116.25 117.77 3hfk h VAL 77 Ca 0.18 0.00 0.08 0.00 0.82 0.00 0.00 66.70 67.78 3hfk h VAL 77 Cb 0.52 0.63 -0.08 0.00 -1.52 0.00 0.00 31.29 30.84 3hfk h VAL 77 CO 0.03 0.00 -0.21 0.22 0.02 0.00 0.00 177.57 177.63 3hfk h TYR 78 N -0.38 -0.54 -0.02 1.57 3.20 -1.07 -2.16 116.97 117.57 3hfk h TYR 78 Ca -0.01 0.04 -0.00 0.00 3.14 0.00 0.00 58.73 61.91 3hfk h TYR 78 Cb 0.35 0.29 -0.00 0.00 1.54 0.00 0.00 36.73 38.91 3hfk h TYR 78 CO -0.13 -0.29 0.01 0.52 -1.64 0.00 0.00 178.16 176.63 3hfk h MET 79 N -0.15 0.02 0.00 1.82 2.86 -0.12 -2.28 114.93 117.08 3hfk h MET 79 Ca 0.19 -0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.83 3hfk h MET 79 Cb 0.44 -0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.09 3hfk h MET 79 CO -0.47 0.02 -0.59 0.39 1.06 0.00 0.00 176.91 177.32 3hfk n GLU 80 N -4.53 0.05 -2.50 1.72 1.02 -0.34 -4.95 120.64 111.11 3hfk n GLU 80 Ca -0.03 0.01 -0.41 0.00 -0.02 0.00 0.00 57.16 56.71 3hfk n GLU 80 Cb 0.09 -1.53 -0.04 0.00 -0.02 0.00 0.00 31.44 29.95 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 -3.19 7.23 0.34 1.62 0.15 -0.84 -4.94 113.70 114.07 3hfk s SER 81 Ca 0.10 2.09 0.04 0.00 0.70 0.00 0.00 55.95 58.87 3hfk s SER 81 Cb 0.17 -2.60 0.63 0.00 -1.71 0.00 0.00 66.02 62.50 3hfk s SER 81 CO 0.72 -0.26 1.91 0.44 1.20 0.00 0.00 173.24 177.26 3hfk h ASP 82 N 5.31 0.54 -0.68 5.45 3.32 -1.92 -2.88 116.42 125.56 3hfk h ASP 82 Ca -0.44 -0.08 -0.03 0.00 0.02 0.00 0.00 57.03 56.50 3hfk h ASP 82 Cb 1.21 -0.14 -0.03 0.00 0.22 0.00 0.00 39.33 40.59 3hfk h ASP 82 CO 0.73 0.54 0.31 0.40 -1.72 0.00 0.00 179.24 179.51 3hfk h ILE 83 N 0.58 1.23 -0.48 0.35 2.04 -1.94 0.12 117.51 119.41 3hfk h ILE 83 Ca 0.13 -0.68 0.06 0.00 1.00 0.00 0.00 64.86 65.37 3hfk h ILE 83 Cb 0.22 0.42 -0.05 0.00 -0.74 0.00 0.00 36.82 36.67 3hfk h ILE 83 CO -0.00 0.28 0.20 -0.09 0.00 0.00 0.00 178.15 178.53 3hfk h ARG 84 N 0.95 0.38 -0.48 2.37 2.43 -1.81 0.19 114.38 118.41 3hfk h ARG 84 Ca 0.23 -0.02 0.03 0.00 -0.81 0.00 0.00 59.98 59.41 3hfk h ARG 84 Cb 0.15 -0.08 -0.04 0.00 -0.42 0.00 0.00 29.97 29.58 3hfk h ARG 84 CO -0.03 0.25 0.27 0.87 -1.51 0.00 0.00 179.97 179.82 3hfk h LYS 85 N 0.39 0.52 -0.53 0.20 1.57 -1.12 0.93 116.57 118.53 3hfk h LYS 85 Ca 0.23 -0.03 0.05 0.00 -1.87 0.00 0.00 60.65 59.02 3hfk h LYS 85 Cb 0.21 -0.12 -0.05 0.00 0.08 0.00 0.00 32.23 32.35 3hfk h LYS 85 CO -0.21 0.34 0.27 0.00 -0.57 0.00 0.00 179.45 179.28 3hfk h ALA 86 N 1.23 0.68 -0.50 3.86 0.00 -0.49 -0.43 119.26 123.61 3hfk h ALA 86 Ca 0.20 0.02 0.06 0.00 0.00 0.00 0.00 54.91 55.19 3hfk h ALA 86 Cb 0.06 -0.07 -0.05 0.00 0.00 0.00 0.00 17.79 17.72 3hfk h ALA 86 CO -0.11 -0.07 0.20 2.35 0.00 0.00 0.00 179.25 181.61 3hfk h TRP 87 N 0.52 0.36 0.00 0.00 7.01 0.12 -2.07 115.95 121.89 3hfk h TRP 87 Ca 0.23 0.02 -0.03 0.00 2.11 0.00 0.00 58.89 61.23 3hfk h TRP 87 Cb 0.14 -0.08 -0.00 0.00 -2.10 0.00 0.00 29.16 27.11 3hfk h TRP 87 CO -0.10 0.13 -0.15 0.74 -2.79 0.00 0.00 178.44 176.27 3hfk h PHE 88 N 0.39 0.00 -0.61 2.65 0.04 -0.34 -1.31 116.94 117.76 3hfk h PHE 88 Ca 0.24 0.00 -0.06 0.00 2.80 0.00 0.00 57.97 60.95 3hfk h PHE 88 Cb 0.23 0.00 -0.03 0.00 2.20 0.00 0.00 35.95 38.35 3hfk h PHE 88 CO -0.15 0.15 0.16 0.93 -0.60 0.00 0.00 178.31 178.81 3hfk h GLU 89 N 0.00 0.96 -0.66 1.51 4.39 -0.38 -0.69 114.58 119.71 3hfk h GLU 89 Ca -0.00 -0.22 -0.02 0.00 0.34 0.00 0.00 59.36 59.46 3hfk h GLU 89 Cb 0.33 -0.13 -0.03 0.00 -0.10 0.00 0.00 28.75 28.82 3hfk h GLU 89 CO 0.02 0.87 0.35 1.25 -1.16 0.00 0.00 179.01 180.34 3hfk h HIS 90 N 0.88 0.92 -0.89 4.33 2.76 -1.10 -2.73 115.15 119.32 3hfk h HIS 90 Ca 0.19 -0.03 0.17 0.00 -2.20 0.00 0.00 60.37 58.51 3hfk h HIS 90 Cb 0.33 -0.29 -0.07 0.00 1.55 0.00 0.00 27.41 28.93 3hfk h HIS 90 CO 0.02 0.66 0.58 0.78 -1.30 0.00 0.00 177.93 178.68 3hfk h GLY 91 N 0.91 1.10 1.50 5.26 0.00 -0.77 -1.70 103.07 109.37 3hfk h GLY 91 Ca 0.23 -0.25 -0.02 0.00 0.00 0.00 0.00 47.33 47.29 3hfk h GLY 91 CO -0.04 0.04 0.20 0.50 0.00 0.00 0.00 176.54 177.24 3hfk h LYS 92 N 0.57 0.66 -0.12 4.80 1.57 -0.81 0.10 116.57 123.33 3hfk h LYS 92 Ca 0.46 -0.08 -0.02 0.00 -1.87 0.00 0.00 60.65 59.14 3hfk h LYS 92 Cb 0.91 -0.13 -0.00 0.00 0.08 0.00 0.00 32.23 33.09 3hfk h LYS 92 CO -0.21 0.53 0.01 -0.92 -0.57 0.00 0.00 179.45 178.29 3hfk h TYR 93 N 0.66 0.23 -0.01 -1.35 3.20 -1.29 -3.39 116.97 115.02 3hfk h TYR 93 Ca 0.16 -0.04 0.00 0.00 3.14 0.00 0.00 58.73 62.00 3hfk h TYR 93 Cb 0.10 -0.06 0.00 0.00 1.54 0.00 0.00 36.73 38.31 3hfk h TYR 93 CO 0.01 0.42 -0.03 1.97 -1.64 0.00 0.00 178.16 178.89 3hfk n PHE 94 N -4.81 0.00 -3.86 -3.82 1.16 -1.11 -4.84 117.46 100.18 3hfk n PHE 94 Ca -0.06 0.00 -0.36 0.00 -1.87 0.00 0.00 57.45 55.17 3hfk n PHE 94 Cb 0.19 0.00 -0.13 0.00 -1.61 0.00 0.00 39.48 37.93 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 -0.68 3.25 -0.04 1.97 1.01 0.34 -4.13 121.20 122.92 3hfk s ILE 95 Ca 0.08 -1.29 -0.26 0.00 0.00 0.00 0.00 60.65 59.18 3hfk s ILE 95 Cb 0.06 -2.85 -0.21 0.00 0.01 0.00 0.00 42.46 39.46 3hfk s ILE 95 CO 0.10 -0.12 1.15 1.23 0.00 0.00 0.00 174.94 177.30 3hfk h GLY 96 N 8.07 0.07 -4.62 6.18 0.00 -0.79 -3.43 103.07 108.55 3hfk h GLY 96 Ca -0.22 -0.09 -0.21 0.00 0.00 0.00 0.00 47.33 46.81 3hfk h GLY 96 CO 0.55 0.08 -0.71 1.20 0.00 0.00 0.00 176.54 177.66 3hfk s GLN 97 N -3.71 0.46 -0.03 4.80 -0.21 -0.95 -4.92 119.66 115.09 3hfk s GLN 97 Ca -0.16 -0.77 -0.01 0.00 0.02 0.00 0.00 55.36 54.44 3hfk s GLN 97 Cb 0.01 -0.07 0.03 0.00 1.00 0.00 0.00 33.01 33.98 3hfk s GLN 97 CO 0.70 -0.01 0.03 -1.17 -2.12 0.00 0.00 175.29 172.71 3hfk s LEU 98 N -1.73 0.74 -0.30 2.90 2.96 -1.26 -1.19 118.68 120.79 3hfk s LEU 98 Ca -0.10 0.03 -0.03 0.00 -0.22 0.00 0.00 54.13 53.81 3hfk s LEU 98 Cb -0.08 -0.17 0.04 0.00 0.50 0.00 0.00 46.19 46.49 3hfk s LEU 98 CO -0.01 -0.17 0.02 -0.75 -1.32 0.00 0.00 176.35 174.12 3hfk s LYS 99 N 1.51 2.55 -0.01 1.98 2.47 -0.42 -4.99 119.74 122.82 3hfk s LYS 99 Ca -0.03 -1.20 -0.18 0.00 -1.56 0.00 0.00 55.97 53.00 3hfk s LYS 99 Cb -0.13 -3.23 -0.05 0.00 -1.46 0.00 0.00 37.83 32.96 3hfk s LYS 99 CO -0.03 -0.60 0.50 -2.14 0.16 0.00 0.00 175.35 173.24 3hfk s PRO 100 N 1.31 4.18 -0.22 4.03 0.02 -1.26 -1.10 135.00 141.95 3hfk s PRO 100 Ca -0.04 0.56 -0.01 0.00 0.02 0.00 0.00 61.00 61.54 3hfk s PRO 100 Cb -0.19 -3.31 0.02 0.00 0.02 0.00 0.00 34.50 31.04 3hfk s PRO 100 CO -0.00 0.48 -0.10 -0.06 -0.33 0.00 0.00 177.00 176.98 3hfk s PHE 101 N -0.46 2.96 -0.20 6.54 0.08 0.11 -4.99 117.98 122.02 3hfk s PHE 101 Ca 0.27 -1.49 -0.27 0.00 0.12 0.00 0.00 56.93 55.56 3hfk s PHE 101 Cb -0.17 -2.02 -0.00 0.00 -0.57 0.00 0.00 43.02 40.25 3hfk s PHE 101 CO 0.15 -0.72 0.93 0.08 -0.10 0.00 0.00 175.22 175.55 3hfk s VAL 102 N 1.34 4.79 0.36 -0.44 1.01 -1.26 -1.14 120.40 125.05 3hfk s VAL 102 Ca 0.02 1.81 0.07 0.00 0.00 0.00 0.00 61.98 63.89 3hfk s VAL 102 Cb -0.15 -4.22 -0.00 0.00 0.00 0.00 0.00 36.38 32.01 3hfk s VAL 102 CO -0.07 -0.07 0.50 0.42 0.00 0.00 0.00 175.10 175.88 3hfk s THR 103 N 2.62 3.81 -0.06 3.92 -4.23 -0.62 -5.01 115.64 116.07 3hfk s THR 103 Ca 0.41 -0.99 0.00 0.00 -1.18 0.00 0.00 61.69 59.93 3hfk s THR 103 Cb -0.16 -3.31 0.02 0.00 1.34 0.00 0.00 72.50 70.39 3hfk s THR 103 CO 0.10 -0.12 -0.04 -0.70 -0.54 0.00 0.00 174.62 173.32 3hfk s GLU 104 N -4.22 0.89 0.43 3.99 2.12 -1.26 -4.57 118.70 116.07 3hfk s GLU 104 Ca 0.47 -0.08 -0.21 0.00 0.36 0.00 0.00 54.97 55.51 3hfk s GLU 104 Cb -0.10 -0.97 -0.10 0.00 0.26 0.00 0.00 34.13 33.22 3hfk s GLU 104 CO 0.32 -0.15 0.97 -1.21 -0.54 0.00 0.00 175.26 174.65 3hfk s GLU 105 N 1.24 4.16 0.00 4.30 8.01 -1.26 -4.98 118.70 130.17 3hfk s GLU 105 Ca -0.06 1.21 0.06 0.00 0.01 0.00 0.00 54.97 56.19 3hfk s GLU 105 Cb -0.14 -2.23 -0.02 0.00 -4.31 0.00 0.00 34.13 27.43 3hfk s GLU 105 CO -0.02 -0.10 0.43 1.28 0.01 0.00 0.00 175.26 176.87 3hfk n LEU 106 N -0.58 0.79 0.00 1.80 4.77 -1.26 -5.14 117.00 117.38 3hfk n LEU 106 Ca 0.07 -0.71 0.00 0.00 -0.03 0.00 0.00 56.01 55.34 3hfk n LEU 106 Cb 0.53 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.62 3hfk n LEU 106 CO 0.39 0.17 0.00 1.33 -1.33 0.00 0.00 177.39 177.95