#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hf5 h PHE -6 N 0.00 -1.56 -0.87 3.69 3.57 -2.05 -0.99 116.94 118.73 3hf5 h PHE -6 Ca 0.00 0.09 0.01 0.00 3.53 0.00 0.00 57.97 61.61 3hf5 h PHE -6 Cb 0.00 0.77 -0.04 0.00 2.79 0.00 0.00 35.95 39.46 3hf5 h PHE -6 CO 0.00 -0.43 0.58 0.93 -2.23 0.00 0.00 178.31 177.15 3hf5 h GLU -5 N -0.22 1.14 -0.39 1.11 3.07 -2.05 0.10 114.58 117.33 3hf5 h GLU -5 Ca 0.15 -0.07 -0.01 0.00 -0.50 0.00 0.00 59.36 58.93 3hf5 h GLU -5 Cb 0.54 -0.26 -0.02 0.00 -0.84 0.00 0.00 28.75 28.18 3hf5 h GLU -5 CO -0.73 0.75 0.23 -0.22 -1.40 0.00 0.00 179.01 177.64 3hf5 h LYS -4 N 1.17 0.54 -0.27 2.33 1.63 -1.95 0.19 116.57 120.22 3hf5 h LYS -4 Ca 0.32 -0.06 -0.17 0.00 -0.85 0.00 0.00 60.65 59.90 3hf5 h LYS -4 Cb -0.12 -0.11 -0.00 0.00 -0.60 0.00 0.00 32.23 31.40 3hf5 h LYS -4 CO -0.07 0.42 -0.51 0.82 -3.45 0.00 0.00 179.45 176.66 3hf5 h ILE -3 N 0.51 1.29 -0.76 2.00 1.08 -0.74 -2.85 117.51 118.04 3hf5 h ILE -3 Ca 0.14 -1.71 0.05 0.00 -0.39 0.00 0.00 64.86 62.95 3hf5 h ILE -3 Cb 0.03 1.62 -0.05 0.00 -3.07 0.00 0.00 36.82 35.35 3hf5 h ILE -3 CO -0.02 0.55 0.46 -0.08 -0.69 0.00 0.00 178.15 178.37 3hf5 h GLU -2 N 0.60 0.84 0.00 2.37 4.81 -0.69 -2.02 114.58 120.49 3hf5 h GLU -2 Ca 0.02 -0.05 -0.01 0.00 -0.13 0.00 0.00 59.36 59.19 3hf5 h GLU -2 Cb 1.09 -0.19 -0.00 0.00 0.63 0.00 0.00 28.75 30.28 3hf5 h GLU -2 CO 0.11 0.55 -0.07 0.78 -0.73 0.00 0.00 179.01 179.65 3hf5 h GLY -1 N 0.86 0.00 -0.10 1.92 0.00 -0.73 -2.26 103.07 102.76 3hf5 h GLY -1 Ca 0.32 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.65 3hf5 h GLY -1 CO -0.15 0.00 0.00 0.54 0.00 0.00 0.00 176.54 176.93 3hf5 n ARG 0 N -3.66 1.45 -1.20 4.80 1.74 -0.77 -4.86 116.66 114.17 3hf5 n ARG 0 Ca -0.02 -0.67 -0.29 0.00 -0.77 0.00 0.00 57.85 56.10 3hf5 n ARG 0 Cb 0.18 -1.44 0.17 0.00 -1.02 0.00 0.00 32.46 30.34 3hf5 n ARG 0 CO 0.00 0.00 0.00 -1.64 -1.52 0.00 0.00 177.63 174.47 3hf5 s MET 1 N -1.95 0.62 0.05 5.56 -1.94 -0.85 -4.96 119.30 115.82 3hf5 s MET 1 Ca 0.38 0.56 -0.30 0.00 -1.71 0.00 0.00 55.69 54.62 3hf5 s MET 1 Cb 0.19 -1.76 -0.09 0.00 2.01 0.00 0.00 34.83 35.19 3hf5 s MET 1 CO 0.31 -2.61 1.81 0.42 -0.01 0.00 0.00 175.02 174.94 3hf5 s ILE 2 N -2.98 3.00 -0.04 2.53 1.01 -0.77 -4.87 121.20 119.09 3hf5 s ILE 2 Ca 0.65 0.25 0.03 0.00 0.00 0.00 0.00 60.65 61.58 3hf5 s ILE 2 Cb -0.18 -3.16 0.01 0.00 0.01 0.00 0.00 42.46 39.13 3hf5 s ILE 2 CO 0.57 -0.01 -0.11 -0.13 0.00 0.00 0.00 174.94 175.26 3hf5 s ARG 3 N 3.55 1.28 -0.14 2.79 0.52 -1.26 -0.56 118.95 125.13 3hf5 s ARG 3 Ca 0.81 -0.37 0.01 0.00 -0.52 0.00 0.00 55.73 55.65 3hf5 s ARG 3 Cb -0.41 -1.14 0.02 0.00 0.52 0.00 0.00 34.95 33.94 3hf5 s ARG 3 CO 0.36 0.10 -0.14 0.42 0.02 0.00 0.00 175.30 176.06 3hf5 s ILE 4 N 0.33 1.57 0.09 1.52 1.01 -0.45 -1.57 121.20 123.70 3hf5 s ILE 4 Ca -0.07 -0.64 -0.04 0.00 0.00 0.00 0.00 60.65 59.91 3hf5 s ILE 4 Cb -0.11 -1.47 -0.05 0.00 0.01 0.00 0.00 42.46 40.84 3hf5 s ILE 4 CO 0.02 0.46 0.30 -0.22 0.00 0.00 0.00 174.94 175.50 3hf5 s LEU 5 N 1.42 4.32 -0.04 2.97 0.20 -0.16 -1.13 118.68 126.26 3hf5 s LEU 5 Ca 0.04 0.48 0.02 0.00 0.69 0.00 0.00 54.13 55.36 3hf5 s LEU 5 Cb -0.13 -3.08 0.01 0.00 -0.43 0.00 0.00 46.19 42.56 3hf5 s LEU 5 CO -0.10 0.13 -0.09 -0.31 -0.29 0.00 0.00 176.35 175.70 3hf5 s TYR 6 N -1.54 0.99 -0.14 5.38 2.02 0.75 -0.41 117.35 124.39 3hf5 s TYR 6 Ca 0.37 -0.28 -0.18 0.00 -0.37 0.00 0.00 57.07 56.61 3hf5 s TYR 6 Cb -0.13 -0.74 -0.04 0.00 -0.40 0.00 0.00 41.96 40.65 3hf5 s TYR 6 CO 0.24 -0.15 0.47 -0.51 -1.57 0.00 0.00 175.55 174.03 3hf5 s LEU 7 N 0.41 4.25 -0.09 -1.29 1.43 0.00 -0.64 118.68 122.75 3hf5 s LEU 7 Ca -0.07 0.75 0.04 0.00 -1.03 0.00 0.00 54.13 53.83 3hf5 s LEU 7 Cb -0.11 -2.67 0.00 0.00 0.03 0.00 0.00 46.19 43.45 3hf5 s LEU 7 CO 0.01 -0.03 -0.22 -0.76 0.23 0.00 0.00 176.35 175.58 3hf5 s LEU 8 N 0.82 2.01 -0.11 1.79 1.43 0.21 -1.36 118.68 123.47 3hf5 s LEU 8 Ca 0.25 -0.50 -0.00 0.00 -1.03 0.00 0.00 54.13 52.84 3hf5 s LEU 8 Cb -0.15 -1.29 -0.02 0.00 0.03 0.00 0.00 46.19 44.75 3hf5 s LEU 8 CO 0.10 0.15 -0.09 -0.69 0.23 0.00 0.00 176.35 176.05 3hf5 s VAL 9 N 0.30 3.44 0.70 -1.59 1.01 -0.20 -1.21 120.40 122.84 3hf5 s VAL 9 Ca -0.15 -0.54 -0.13 0.00 0.00 0.00 0.00 61.98 61.16 3hf5 s VAL 9 Cb -0.17 -2.44 0.02 0.00 0.00 0.00 0.00 36.38 33.79 3hf5 s VAL 9 CO 0.07 0.54 1.09 -1.59 0.00 0.00 0.00 175.10 175.21 3hf5 s LYS 10 N -0.04 2.66 0.34 2.72 -2.85 -1.26 -0.16 119.74 121.15 3hf5 s LYS 10 Ca -0.01 1.23 -0.28 0.00 -1.00 0.00 0.00 55.97 55.90 3hf5 s LYS 10 Cb -0.14 -1.94 -0.12 0.00 -2.06 0.00 0.00 37.83 33.57 3hf5 s LYS 10 CO 0.03 -1.34 1.36 -2.30 0.10 0.00 0.00 175.35 173.21 3hf5 n PRO 11 N -2.90 2.29 -0.31 1.78 -0.02 -1.26 -4.24 135.00 130.34 3hf5 n PRO 11 Ca 0.09 0.80 0.15 0.00 -2.02 0.00 0.00 63.50 62.52 3hf5 n PRO 11 Cb 0.53 -2.44 0.39 0.00 -0.02 0.00 0.00 33.50 31.96 3hf5 n PRO 11 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 3hf5 h GLU 12 N 2.86 0.64 0.00 -0.52 4.57 -1.96 -1.54 114.58 118.62 3hf5 h GLU 12 Ca -0.47 -0.04 -0.02 0.00 -1.18 0.00 0.00 59.36 57.65 3hf5 h GLU 12 Cb 1.27 -0.14 -0.00 0.00 -0.16 0.00 0.00 28.75 29.71 3hf5 h GLU 12 CO 0.65 0.42 -0.30 0.66 -1.18 0.00 0.00 179.01 179.26 3hf5 h SER 13 N 0.66 0.00 -3.61 1.04 4.64 -2.04 -3.46 113.55 110.78 3hf5 h SER 13 Ca 0.52 0.00 -0.51 0.00 -0.47 0.00 0.00 61.79 61.33 3hf5 h SER 13 Cb 0.94 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.01 3hf5 h SER 13 CO -0.28 0.11 0.30 -0.32 -0.87 0.00 0.00 176.83 175.77 3hf5 s MET 14 N -3.18 4.71 0.67 4.77 -2.45 -0.58 -5.03 119.30 118.22 3hf5 s MET 14 Ca 0.05 1.37 -0.14 0.00 -1.25 0.00 0.00 55.69 55.72 3hf5 s MET 14 Cb 0.06 -3.32 0.01 0.00 1.25 0.00 0.00 34.83 32.83 3hf5 s MET 14 CO 0.71 0.40 1.11 -1.54 1.05 0.00 0.00 175.02 176.74 3hf5 s SER 15 N -0.64 5.03 0.34 1.11 1.04 -1.26 -4.84 113.70 114.48 3hf5 s SER 15 Ca 0.42 1.97 0.05 0.00 0.48 0.00 0.00 55.95 58.87 3hf5 s SER 15 Cb -0.24 -2.55 0.69 0.00 0.10 0.00 0.00 66.02 64.02 3hf5 s SER 15 CO 0.29 -1.68 1.94 0.45 0.98 0.00 0.00 173.24 175.22 3hf5 h HIS 16 N -0.13 0.84 -0.45 5.02 3.86 -1.96 -0.57 115.15 121.76 3hf5 h HIS 16 Ca -0.46 0.02 0.00 0.00 -1.16 0.00 0.00 60.37 58.77 3hf5 h HIS 16 Cb 1.24 -0.28 -0.02 0.00 1.06 0.00 0.00 27.41 29.41 3hf5 h HIS 16 CO 0.55 0.44 0.29 1.49 0.86 0.00 0.00 177.93 181.56 3hf5 h GLU 17 N 0.83 0.61 -0.09 2.45 4.81 -2.00 -0.94 114.58 120.24 3hf5 h GLU 17 Ca 0.34 -0.04 -0.10 0.00 -0.13 0.00 0.00 59.36 59.43 3hf5 h GLU 17 Cb 0.26 -0.13 0.00 0.00 0.63 0.00 0.00 28.75 29.51 3hf5 h GLU 17 CO -0.12 0.42 -0.32 0.37 -0.73 0.00 0.00 179.01 178.63 3hf5 h GLN 18 N 0.61 0.37 -0.84 1.92 4.15 -1.83 -2.93 115.11 116.56 3hf5 h GLN 18 Ca 0.16 -0.28 0.14 0.00 0.77 0.00 0.00 58.65 59.44 3hf5 h GLN 18 Cb -0.04 0.05 -0.09 0.00 0.21 0.00 0.00 27.48 27.61 3hf5 h GLN 18 CO -0.03 0.91 0.44 0.35 -1.93 0.00 0.00 178.83 178.56 3hf5 h PHE 19 N -0.08 0.77 -0.32 3.99 3.57 -0.84 0.31 116.94 124.34 3hf5 h PHE 19 Ca -0.01 0.03 0.03 0.00 3.53 0.00 0.00 57.97 61.55 3hf5 h PHE 19 Cb 0.95 -0.21 -0.03 0.00 2.79 0.00 0.00 35.95 39.44 3hf5 h PHE 19 CO 0.12 0.20 0.12 -0.09 -2.23 0.00 0.00 178.31 176.43 3hf5 h ARG 20 N 0.63 0.26 -0.88 1.11 2.43 -1.12 0.00 114.38 116.81 3hf5 h ARG 20 Ca 0.45 -0.02 -0.01 0.00 -0.81 0.00 0.00 59.98 59.60 3hf5 h ARG 20 Cb 0.62 -0.06 -0.04 0.00 -0.42 0.00 0.00 29.97 30.07 3hf5 h ARG 20 CO -0.35 0.17 0.51 0.87 -1.51 0.00 0.00 179.97 179.66 3hf5 h LYS 21 N 0.26 1.21 -0.03 0.20 1.57 -0.96 -2.47 116.57 116.36 3hf5 h LYS 21 Ca 0.14 -0.12 -0.12 0.00 -1.87 0.00 0.00 60.65 58.67 3hf5 h LYS 21 Cb 0.10 -0.25 -0.02 0.00 0.08 0.00 0.00 32.23 32.15 3hf5 h LYS 21 CO -0.14 0.86 -0.56 0.93 -0.57 0.00 0.00 179.45 179.98 3hf5 h GLU 22 N 1.22 0.08 -0.51 3.15 4.39 -0.36 -1.40 114.58 121.14 3hf5 h GLU 22 Ca 0.31 -0.05 -0.03 0.00 0.34 0.00 0.00 59.36 59.94 3hf5 h GLU 22 Cb -0.01 0.01 -0.02 0.00 -0.10 0.00 0.00 28.75 28.62 3hf5 h GLU 22 CO -0.05 0.62 0.22 0.00 -1.16 0.00 0.00 179.01 178.63 3hf5 h VAL 24 N 0.69 1.17 -0.79 0.00 2.07 -1.08 -1.06 116.25 117.24 3hf5 h VAL 24 Ca 0.17 -0.46 0.03 0.00 0.82 0.00 0.00 66.70 67.27 3hf5 h VAL 24 Cb 0.18 0.66 -0.05 0.00 -1.52 0.00 0.00 31.29 30.56 3hf5 h VAL 24 CO -0.02 0.18 0.51 0.58 0.02 0.00 0.00 177.57 178.84 3hf5 h VAL 25 N 0.58 1.12 -0.38 2.57 2.07 -1.04 -0.38 116.25 120.78 3hf5 h VAL 25 Ca 0.15 -0.34 -0.10 0.00 0.82 0.00 0.00 66.70 67.24 3hf5 h VAL 25 Cb 0.08 0.05 -0.02 0.00 -1.52 0.00 0.00 31.29 29.88 3hf5 h VAL 25 CO -0.02 0.18 -0.16 -0.74 0.02 0.00 0.00 177.57 176.85 3hf5 h HIS 26 N 0.99 0.78 -0.30 1.57 2.76 -0.40 -0.06 115.15 120.49 3hf5 h HIS 26 Ca 0.32 -0.15 -0.03 0.00 -2.20 0.00 0.00 60.37 58.31 3hf5 h HIS 26 Cb 0.01 -0.20 -0.01 0.00 1.55 0.00 0.00 27.41 28.76 3hf5 h HIS 26 CO -0.03 0.82 0.07 0.35 -1.30 0.00 0.00 177.93 177.84 3hf5 h PHE 27 N 0.63 0.50 -0.75 5.26 3.57 -0.69 -2.63 116.94 122.84 3hf5 h PHE 27 Ca 0.10 -0.06 0.03 0.00 3.53 0.00 0.00 57.97 61.57 3hf5 h PHE 27 Cb 0.62 -0.14 -0.04 0.00 2.79 0.00 0.00 35.95 39.18 3hf5 h PHE 27 CO 0.03 0.54 0.50 1.96 -2.23 0.00 0.00 178.31 179.10 3hf5 h GLN 28 N 0.32 0.92 0.00 1.11 4.20 -0.13 -1.25 115.11 120.27 3hf5 h GLN 28 Ca 0.09 -0.06 -0.01 0.00 0.06 0.00 0.00 58.65 58.74 3hf5 h GLN 28 Cb 0.29 -0.21 -0.00 0.00 0.30 0.00 0.00 27.48 27.86 3hf5 h GLN 28 CO 0.00 0.61 -0.06 0.52 -0.67 0.00 0.00 178.83 179.24 3hf5 h MET 29 N 0.95 0.00 0.00 1.46 2.86 -0.89 -2.61 114.93 116.70 3hf5 h MET 29 Ca 0.29 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.93 3hf5 h MET 29 Cb -0.01 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.65 3hf5 h MET 29 CO -0.08 0.06 0.00 0.66 1.06 0.00 0.00 176.91 178.61 3hf5 h SER 30 N 0.00 0.00 -2.50 1.22 4.64 -0.85 -3.44 113.55 112.62 3hf5 h SER 30 Ca -0.00 0.00 -0.54 0.00 -0.47 0.00 0.00 61.79 60.78 3hf5 h SER 30 Cb 0.46 0.00 0.05 0.00 -0.31 0.00 0.00 62.40 62.61 3hf5 h SER 30 CO 0.01 0.00 1.01 0.00 -0.87 0.00 0.00 176.83 176.98 3hf5 n ALA 31 N -2.05 2.25 -0.98 5.18 0.00 -0.99 -1.96 120.51 121.96 3hf5 n ALA 31 Ca 0.03 0.37 0.00 0.00 0.00 0.00 0.00 53.44 53.84 3hf5 n ALA 31 Cb 0.41 -2.51 0.00 0.00 0.00 0.00 0.00 19.45 17.35 3hf5 n ALA 31 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3hf5 n GLY 32 N 3.97 0.44 3.68 0.00 0.00 -1.26 -4.96 105.19 107.07 3hf5 n GLY 32 Ca 0.17 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.76 3hf5 n GLY 32 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 3hf5 n MET 33 N -2.07 2.65 -1.65 1.61 0.00 -0.83 -4.89 117.12 111.94 3hf5 n MET 33 Ca 0.00 0.97 -0.47 0.00 0.00 0.00 0.00 57.70 58.19 3hf5 n MET 33 Cb 0.10 -2.85 -0.05 0.00 0.00 0.00 0.00 33.22 30.43 3hf5 n MET 33 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 175.97 173.67 3hf5 n PRO 34 N 5.64 1.92 0.00 2.12 -0.02 -1.26 -2.43 135.00 140.98 3hf5 n PRO 34 Ca 0.19 0.69 0.00 0.00 -2.02 0.00 0.00 63.50 62.36 3hf5 n PRO 34 Cb 0.36 -2.44 0.00 0.00 -0.02 0.00 0.00 33.50 31.40 3hf5 n PRO 34 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3hf5 n GLY 35 N 3.25 2.84 3.71 -1.23 0.00 -1.26 -3.35 105.19 109.15 3hf5 n GLY 35 Ca 0.17 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.81 3hf5 n GLY 35 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3hf5 s LEU 36 N 0.00 4.25 -0.02 0.99 2.96 -1.02 -4.34 118.68 121.50 3hf5 s LEU 36 Ca 0.00 0.85 -0.11 0.00 -0.22 0.00 0.00 54.13 54.65 3hf5 s LEU 36 Cb 0.00 -2.77 -0.31 0.00 0.50 0.00 0.00 46.19 43.61 3hf5 s LEU 36 CO 0.00 -0.07 0.78 -0.74 -1.32 0.00 0.00 176.35 175.00 3hf5 h HIS 37 N 6.91 0.73 -2.15 5.38 -0.00 -1.24 -3.45 115.15 121.32 3hf5 h HIS 37 Ca -0.39 -0.54 -0.06 0.00 -0.00 0.00 0.00 60.37 59.38 3hf5 h HIS 37 Cb 1.17 -0.03 -0.20 0.00 -0.00 0.00 0.00 27.41 28.35 3hf5 h HIS 37 CO 0.65 1.60 0.09 0.21 -0.00 0.00 0.00 177.93 180.47 3hf5 s LYS 38 N -2.59 0.88 -0.02 5.26 2.20 -1.16 -4.98 119.74 119.33 3hf5 s LYS 38 Ca -0.13 0.56 0.03 0.00 -0.36 0.00 0.00 55.97 56.08 3hf5 s LYS 38 Cb 0.05 0.42 -0.00 0.00 -1.51 0.00 0.00 37.83 36.79 3hf5 s LYS 38 CO 0.88 -0.20 -0.11 -0.47 -0.36 0.00 0.00 175.35 175.09 3hf5 s TYR 39 N -0.41 1.12 0.01 4.03 5.04 -1.26 -1.31 117.35 124.58 3hf5 s TYR 39 Ca -0.06 -0.27 0.06 0.00 -2.44 0.00 0.00 57.07 54.37 3hf5 s TYR 39 Cb -0.03 -0.76 -0.02 0.00 0.35 0.00 0.00 41.96 41.50 3hf5 s TYR 39 CO 0.05 -0.08 -0.19 -1.21 -1.34 0.00 0.00 175.55 172.77 3hf5 s GLU 40 N 0.01 1.45 -0.01 4.97 2.02 -0.25 -4.98 118.70 121.90 3hf5 s GLU 40 Ca -0.01 -0.78 -0.00 0.00 0.02 0.00 0.00 54.97 54.20 3hf5 s GLU 40 Cb -0.08 -1.46 0.01 0.00 0.10 0.00 0.00 34.13 32.70 3hf5 s GLU 40 CO 0.00 0.39 0.02 0.54 0.02 0.00 0.00 175.26 176.24 3hf5 s VAL 41 N -0.61 -0.02 0.02 2.63 0.11 -1.26 -0.78 120.40 120.50 3hf5 s VAL 41 Ca 0.07 0.06 0.01 0.00 -2.93 0.00 0.00 61.98 59.19 3hf5 s VAL 41 Cb -0.08 -0.05 -0.01 0.00 -1.53 0.00 0.00 36.38 34.71 3hf5 s VAL 41 CO 0.00 0.02 -0.04 -0.13 -3.33 0.00 0.00 175.10 171.63 3hf5 s ARG 42 N 0.31 0.31 0.46 1.54 0.52 -0.01 -4.99 118.95 117.09 3hf5 s ARG 42 Ca -0.03 -0.46 -0.21 0.00 -0.52 0.00 0.00 55.73 54.51 3hf5 s ARG 42 Cb -0.04 -0.07 -0.10 0.00 0.52 0.00 0.00 34.95 35.26 3hf5 s ARG 42 CO -0.01 0.00 0.99 -0.51 0.02 0.00 0.00 175.30 175.80 3hf5 s LEU 43 N -1.02 3.89 -0.35 2.53 1.43 -1.26 -0.69 118.68 123.21 3hf5 s LEU 43 Ca -0.09 1.80 -0.27 0.00 -1.03 0.00 0.00 54.13 54.54 3hf5 s LEU 43 Cb -0.07 -4.55 0.02 0.00 0.03 0.00 0.00 46.19 41.62 3hf5 s LEU 43 CO -0.00 -0.56 1.00 -0.69 0.23 0.00 0.00 176.35 176.33 3hf5 s VAL 44 N -2.09 4.53 -0.15 -1.59 1.01 -0.31 -4.79 120.40 117.01 3hf5 s VAL 44 Ca 0.64 1.44 0.18 0.00 0.00 0.00 0.00 61.98 64.25 3hf5 s VAL 44 Cb -0.12 -4.38 -0.26 0.00 0.00 0.00 0.00 36.38 31.61 3hf5 s VAL 44 CO 0.16 -0.54 0.22 0.00 0.00 0.00 0.00 175.10 174.95 3hf5 n ALA 45 N 6.88 1.78 -3.08 5.51 0.00 -1.26 -4.92 120.51 125.42 3hf5 n ALA 45 Ca 0.09 -1.11 -0.12 0.00 0.00 0.00 0.00 53.44 52.31 3hf5 n ALA 45 Cb 0.48 -0.37 -0.06 0.00 0.00 0.00 0.00 19.45 19.50 3hf5 n ALA 45 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 3hf5 s GLY 46 N -5.24 -0.24 -0.52 0.00 0.00 -1.26 -5.10 107.32 94.96 3hf5 s GLY 46 Ca -0.09 0.15 0.06 0.00 0.00 0.00 0.00 44.72 44.85 3hf5 s GLY 46 CO 0.84 -0.10 0.57 0.70 0.00 0.00 0.00 173.10 175.12 3hf5 n ASN 47 N 0.31 1.67 -4.76 1.64 3.02 -1.26 -5.11 115.26 110.77 3hf5 n ASN 47 Ca -0.18 -2.97 -0.37 0.00 -0.03 0.00 0.00 54.58 51.03 3hf5 n ASN 47 Cb 0.61 -0.65 0.01 0.00 -0.61 0.00 0.00 39.78 39.14 3hf5 n ASN 47 CO 0.00 0.00 0.00 -2.16 -2.62 0.00 0.00 177.26 172.48 3hf5 s PRO 48 N -1.51 3.43 0.00 3.52 0.04 -1.26 -4.95 135.00 134.27 3hf5 s PRO 48 Ca 0.35 1.93 0.04 0.00 0.04 0.00 0.00 61.00 63.37 3hf5 s PRO 48 Cb 0.12 -2.28 0.05 0.00 0.04 0.00 0.00 34.50 32.43 3hf5 s PRO 48 CO -0.09 -0.87 0.74 0.25 0.04 0.00 0.00 177.00 177.07 3hf5 n THR 49 N -0.85 0.25 -1.92 1.26 -2.24 -1.26 -4.77 114.28 104.75 3hf5 n THR 49 Ca 0.09 -0.63 -0.40 0.00 -2.27 0.00 0.00 64.05 60.85 3hf5 n THR 49 Cb 0.47 0.93 -0.01 0.00 -2.10 0.00 0.00 70.33 69.63 3hf5 n THR 49 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 3hf5 n ASP 50 N 0.13 7.95 -0.02 3.42 5.75 -1.26 -4.77 116.55 127.75 3hf5 n ASP 50 Ca 0.03 -3.07 -0.01 0.00 -0.01 0.00 0.00 54.79 51.73 3hf5 n ASP 50 Cb 0.15 -1.39 0.25 0.00 -1.03 0.00 0.00 41.12 39.10 3hf5 n ASP 50 CO 0.00 0.00 0.00 0.71 -0.11 0.00 0.00 177.20 177.80 3hf5 h THR 51 N 2.73 1.22 0.00 2.12 1.35 -1.96 -3.46 112.91 114.90 3hf5 h THR 51 Ca 0.71 -0.92 0.00 0.00 -0.55 0.00 0.00 66.41 65.65 3hf5 h THR 51 Cb 0.32 1.01 0.00 0.00 -1.73 0.00 0.00 68.15 67.75 3hf5 h THR 51 CO 1.53 0.31 0.00 0.00 -0.25 0.00 0.00 175.52 177.11 3hf5 n HIS 52 N -4.24 0.00 -4.22 4.73 1.44 -1.26 -4.95 115.22 106.72 3hf5 n HIS 52 Ca 0.01 0.00 -0.14 0.00 -2.01 0.00 0.00 57.72 55.59 3hf5 n HIS 52 Cb 0.28 0.00 -0.10 0.00 0.12 0.00 0.00 29.99 30.29 3hf5 n HIS 52 CO 0.00 0.00 0.00 0.14 -2.81 0.00 0.00 176.34 173.67 3hf5 s VAL 53 N -3.07 1.05 0.28 0.61 -7.23 -1.26 -5.12 120.40 105.67 3hf5 s VAL 53 Ca 0.00 -1.98 -0.30 0.00 -1.81 0.00 0.00 61.98 57.89 3hf5 s VAL 53 Cb 0.00 -1.75 -0.13 0.00 0.56 0.00 0.00 36.38 35.06 3hf5 s VAL 53 CO 0.00 -0.74 1.39 -2.65 -0.31 0.00 0.00 175.10 172.79 3hf5 n PRO 54 N -0.06 2.15 -2.64 4.82 -0.02 -1.26 -4.91 135.00 133.08 3hf5 n PRO 54 Ca -0.11 0.76 -0.41 0.00 -2.02 0.00 0.00 63.50 61.72 3hf5 n PRO 54 Cb 0.60 -2.41 -0.05 0.00 -0.02 0.00 0.00 33.50 31.63 3hf5 n PRO 54 CO 0.00 0.00 0.00 -0.47 1.98 0.00 0.00 175.50 177.01 3hf5 s TYR 55 N -0.43 3.77 -0.27 6.00 5.04 -1.26 -5.02 117.35 125.17 3hf5 s TYR 55 Ca 0.63 1.76 -0.10 0.00 -2.44 0.00 0.00 57.07 56.91 3hf5 s TYR 55 Cb -0.60 -3.13 -0.05 0.00 0.35 0.00 0.00 41.96 38.54 3hf5 s TYR 55 CO 0.54 -0.05 0.17 -1.17 -1.34 0.00 0.00 175.55 173.70 3hf5 s LEU 56 N -0.51 3.93 -0.23 6.97 2.96 -1.26 -5.07 118.68 125.47 3hf5 s LEU 56 Ca 0.46 -0.03 -0.15 0.00 -0.22 0.00 0.00 54.13 54.19 3hf5 s LEU 56 Cb -0.27 -2.09 -0.04 0.00 0.50 0.00 0.00 46.19 44.30 3hf5 s LEU 56 CO 0.33 -0.04 0.37 -0.62 -1.32 0.00 0.00 176.35 175.07 3hf5 s ASP 57 N 1.69 6.35 -0.03 3.68 -1.08 -1.26 -4.90 116.67 121.11 3hf5 s ASP 57 Ca 0.07 0.41 0.05 0.00 -0.52 0.00 0.00 52.55 52.55 3hf5 s ASP 57 Cb -0.16 -2.22 0.07 0.00 -1.46 0.00 0.00 42.92 39.16 3hf5 s ASP 57 CO 0.09 -0.11 1.00 1.33 0.52 0.00 0.00 175.17 178.00 3hf5 n VAL 58 N 4.63 1.12 -4.01 1.11 0.24 -1.26 -5.12 118.33 115.04 3hf5 n VAL 58 Ca -0.09 -1.21 0.00 0.00 -2.04 0.00 0.00 64.34 61.00 3hf5 n VAL 58 Cb 0.51 0.36 0.00 0.00 -1.47 0.00 0.00 33.84 33.23 3hf5 n VAL 58 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3hf5 n GLY 59 N -0.68 -1.77 3.64 7.63 0.00 -1.26 -4.78 105.19 107.97 3hf5 n GLY 59 Ca 0.04 -1.36 -0.39 0.00 0.00 0.00 0.00 46.02 44.31 3hf5 n GLY 59 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3hf5 s ARG 60 N 0.00 4.11 -0.11 1.61 3.52 -1.26 -5.04 118.95 121.78 3hf5 s ARG 60 Ca 0.00 0.28 -0.01 0.00 -0.13 0.00 0.00 55.73 55.87 3hf5 s ARG 60 Cb 0.00 -3.61 -0.03 0.00 -1.56 0.00 0.00 34.95 29.76 3hf5 s ARG 60 CO 0.00 -0.23 -0.07 0.42 -0.81 0.00 0.00 175.30 174.62 3hf5 s ILE 61 N 1.90 3.68 -0.17 4.11 -1.09 -1.26 -4.83 121.20 123.54 3hf5 s ILE 61 Ca 0.21 -0.46 0.13 0.00 -2.23 0.00 0.00 60.65 58.29 3hf5 s ILE 61 Cb -0.15 -2.55 -0.23 0.00 -1.58 0.00 0.00 42.46 37.94 3hf5 s ILE 61 CO 0.09 0.55 0.19 0.47 -1.23 0.00 0.00 174.94 175.01 3hf5 n ASP 62 N 2.90 0.63 -3.79 3.58 8.00 -0.35 -4.62 116.55 122.90 3hf5 n ASP 62 Ca -0.18 0.09 -0.10 0.00 0.71 0.00 0.00 54.79 55.32 3hf5 n ASP 62 Cb 0.53 0.42 -0.06 0.00 -0.02 0.00 0.00 41.12 41.99 3hf5 n ASP 62 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3hf5 s ALA 63 N -2.52 -0.53 -0.10 2.24 0.00 -0.48 -1.16 121.76 119.20 3hf5 s ALA 63 Ca -0.13 -0.42 0.02 0.00 0.00 0.00 0.00 51.96 51.42 3hf5 s ALA 63 Cb 0.07 0.71 -0.01 0.00 0.00 0.00 0.00 23.12 23.89 3hf5 s ALA 63 CO 0.79 -0.64 -0.16 0.42 0.00 0.00 0.00 175.76 176.17 3hf5 s ILE 64 N -3.87 2.81 0.29 0.00 -1.09 0.14 -0.62 121.20 118.86 3hf5 s ILE 64 Ca 0.08 -0.77 0.12 0.00 -2.23 0.00 0.00 60.65 57.85 3hf5 s ILE 64 Cb 0.02 -2.14 -0.05 0.00 -1.58 0.00 0.00 42.46 38.71 3hf5 s ILE 64 CO -0.07 0.55 -0.18 -0.83 -1.23 0.00 0.00 174.94 173.18 3hf5 s GLY 65 N 0.10 1.94 -0.23 6.18 0.00 0.18 -0.83 107.32 114.66 3hf5 s GLY 65 Ca -0.07 -1.91 -0.20 0.00 0.00 0.00 0.00 44.72 42.54 3hf5 s GLY 65 CO 0.05 -1.98 0.60 1.85 0.00 0.00 0.00 173.10 173.62 3hf5 s GLU 66 N -3.53 0.69 0.02 2.90 2.12 0.04 -0.18 118.70 120.75 3hf5 s GLU 66 Ca 0.30 0.86 0.08 0.00 0.36 0.00 0.00 54.97 56.58 3hf5 s GLU 66 Cb -0.04 0.31 -0.02 0.00 0.26 0.00 0.00 34.13 34.64 3hf5 s GLU 66 CO 0.15 -0.09 -0.25 0.00 -0.54 0.00 0.00 175.26 174.54 3hf5 s TRP 68 N -0.69 2.60 -0.06 0.00 0.51 -0.43 -1.34 118.94 119.53 3hf5 s TRP 68 Ca 0.10 -0.61 0.03 0.00 -2.12 0.00 0.00 56.10 53.50 3hf5 s TRP 68 Cb -0.10 -1.68 0.01 0.00 -0.81 0.00 0.00 33.47 30.90 3hf5 s TRP 68 CO 0.01 -0.14 -0.13 -0.06 -0.51 0.00 0.00 176.95 176.11 3hf5 s PHE 69 N -0.12 1.47 -0.49 -1.98 0.08 0.28 -0.71 117.98 116.51 3hf5 s PHE 69 Ca -0.03 -0.52 0.26 0.00 0.12 0.00 0.00 56.93 56.76 3hf5 s PHE 69 Cb -0.14 -1.06 0.89 0.00 -0.57 0.00 0.00 43.02 42.14 3hf5 s PHE 69 CO 0.04 -0.25 1.76 0.00 -0.10 0.00 0.00 175.22 176.67 3hf5 h ALA 70 N 6.83 1.00 -2.53 5.36 0.00 -1.86 -2.05 119.26 126.02 3hf5 h ALA 70 Ca -0.31 0.00 0.14 0.00 0.00 0.00 0.00 54.91 54.74 3hf5 h ALA 70 Cb 1.19 0.00 -0.08 0.00 0.00 0.00 0.00 17.79 18.90 3hf5 h ALA 70 CO 0.48 0.00 0.41 -1.54 0.00 0.00 0.00 179.25 178.60 3hf5 s SER 71 N -4.81 -0.22 0.21 0.00 1.04 -1.26 -4.84 113.70 103.82 3hf5 s SER 71 Ca 0.07 -0.42 -0.11 0.00 0.48 0.00 0.00 55.95 55.97 3hf5 s SER 71 Cb 0.10 0.55 0.15 0.00 0.10 0.00 0.00 66.02 66.92 3hf5 s SER 71 CO 0.52 -1.00 1.88 -0.33 0.98 0.00 0.00 173.24 175.29 3hf5 h GLU 72 N 2.00 0.96 -0.42 4.02 5.08 -2.00 -1.62 114.58 122.61 3hf5 h GLU 72 Ca -0.23 -0.06 -0.06 0.00 -1.00 0.00 0.00 59.36 58.01 3hf5 h GLU 72 Cb 1.24 -0.22 -0.02 0.00 0.50 0.00 0.00 28.75 30.25 3hf5 h GLU 72 CO 0.26 0.64 0.00 0.93 -1.00 0.00 0.00 179.01 179.83 3hf5 h GLU 73 N 0.99 0.67 -0.10 2.33 3.07 -1.99 -1.76 114.58 117.79 3hf5 h GLU 73 Ca 0.27 -0.16 -0.23 0.00 -0.50 0.00 0.00 59.36 58.74 3hf5 h GLU 73 Cb -0.11 -0.09 0.01 0.00 -0.84 0.00 0.00 28.75 27.73 3hf5 h GLU 73 CO -0.06 0.69 -0.85 1.96 -1.40 0.00 0.00 179.01 179.35 3hf5 h GLN 74 N 0.63 0.72 -0.85 2.33 1.08 -1.79 -1.44 115.11 115.79 3hf5 h GLN 74 Ca 0.13 -0.64 0.06 0.00 -1.45 0.00 0.00 58.65 56.75 3hf5 h GLN 74 Cb 0.39 0.15 -0.06 0.00 -0.05 0.00 0.00 27.48 27.91 3hf5 h GLN 74 CO 0.01 1.24 0.53 -0.92 -0.95 0.00 0.00 178.83 178.74 3hf5 h TYR 75 N 0.47 0.98 -0.65 2.96 3.20 -1.05 -1.20 116.97 121.68 3hf5 h TYR 75 Ca -0.07 0.03 -0.08 0.00 3.14 0.00 0.00 58.73 61.74 3hf5 h TYR 75 Cb 1.48 -0.32 -0.03 0.00 1.54 0.00 0.00 36.73 39.41 3hf5 h TYR 75 CO 0.09 0.50 0.08 1.96 -1.64 0.00 0.00 178.16 179.15 3hf5 h GLN 76 N 0.97 1.08 -0.14 1.82 1.08 -0.96 0.97 115.11 119.94 3hf5 h GLN 76 Ca 0.37 -0.30 0.03 0.00 -1.45 0.00 0.00 58.65 57.30 3hf5 h GLN 76 Cb 0.15 -0.12 -0.04 0.00 -0.05 0.00 0.00 27.48 27.43 3hf5 h GLN 76 CO -0.17 1.01 -0.07 0.28 -0.95 0.00 0.00 178.83 178.93 3hf5 h VAL 77 N 1.01 0.76 0.08 -0.54 2.07 -0.76 -0.86 116.25 118.00 3hf5 h VAL 77 Ca 0.19 0.00 0.02 0.00 0.82 0.00 0.00 66.70 67.73 3hf5 h VAL 77 Cb 0.47 0.76 -0.03 0.00 -1.52 0.00 0.00 31.29 30.97 3hf5 h VAL 77 CO 0.02 0.00 -0.20 0.22 0.02 0.00 0.00 177.57 177.63 3hf5 h TYR 78 N -0.06 -0.52 -0.50 1.57 3.20 -0.94 -2.22 116.97 117.49 3hf5 h TYR 78 Ca 0.08 0.01 0.12 0.00 3.14 0.00 0.00 58.73 62.08 3hf5 h TYR 78 Cb 0.18 0.22 -0.03 0.00 1.54 0.00 0.00 36.73 38.65 3hf5 h TYR 78 CO -0.21 -0.28 0.35 0.52 -1.64 0.00 0.00 178.16 176.89 3hf5 h MET 79 N -0.36 0.14 0.00 1.82 2.86 -0.43 -1.96 114.93 117.00 3hf5 h MET 79 Ca 0.03 -0.01 0.00 0.00 -2.06 0.00 0.00 59.70 57.67 3hf5 h MET 79 Cb 0.39 -0.03 0.00 0.00 0.06 0.00 0.00 31.60 32.02 3hf5 h MET 79 CO -0.13 0.09 -0.48 0.39 1.06 0.00 0.00 176.91 177.84 3hf5 n GLU 80 N -4.43 0.00 -2.62 1.72 1.02 -0.36 -4.96 120.64 111.02 3hf5 n GLU 80 Ca 0.09 0.00 -0.43 0.00 -0.02 0.00 0.00 57.16 56.80 3hf5 n GLU 80 Cb 0.47 -1.50 -0.02 0.00 -0.02 0.00 0.00 31.44 30.37 3hf5 n GLU 80 CO 0.00 0.00 0.00 -1.54 1.18 0.00 0.00 177.13 176.77 3hf5 s SER 81 N -3.01 7.17 0.42 1.62 1.04 -0.74 -4.93 113.70 115.27 3hf5 s SER 81 Ca 0.11 1.59 0.17 0.00 0.48 0.00 0.00 55.95 58.31 3hf5 s SER 81 Cb 0.18 -2.55 1.08 0.00 0.10 0.00 0.00 66.02 64.83 3hf5 s SER 81 CO 0.69 -0.52 1.87 0.44 0.98 0.00 0.00 173.24 176.70 3hf5 h ASP 82 N 7.27 0.40 1.03 7.02 3.32 -1.91 -1.03 116.42 132.51 3hf5 h ASP 82 Ca -0.30 0.04 -0.08 0.00 0.02 0.00 0.00 57.03 56.71 3hf5 h ASP 82 Cb 1.14 -0.04 -0.01 0.00 0.22 0.00 0.00 39.33 40.64 3hf5 h ASP 82 CO 0.88 0.17 -0.36 0.16 -1.72 0.00 0.00 179.24 178.37 3hf5 h ILE 83 N 0.40 0.78 -0.34 0.35 -0.00 -1.94 -1.20 117.51 115.56 3hf5 h ILE 83 Ca 0.45 -1.58 -0.15 0.00 -0.00 0.00 0.00 64.86 63.58 3hf5 h ILE 83 Cb 1.12 2.00 -0.01 0.00 -0.00 0.00 0.00 36.82 39.93 3hf5 h ILE 83 CO -0.16 0.35 -0.41 -0.09 -0.00 0.00 0.00 178.15 177.85 3hf5 h ARG 84 N 0.00 0.83 -0.76 0.16 2.43 -1.50 -2.61 114.38 112.92 3hf5 h ARG 84 Ca -0.00 -0.44 -0.03 0.00 -0.81 0.00 0.00 59.98 58.69 3hf5 h ARG 84 Cb 0.97 0.02 -0.03 0.00 -0.42 0.00 0.00 29.97 30.51 3hf5 h ARG 84 CO 0.05 1.08 0.34 -0.22 -1.51 0.00 0.00 179.97 179.70 3hf5 h LYS 85 N 0.67 1.11 -0.28 0.20 1.63 -0.43 0.63 116.57 120.10 3hf5 h LYS 85 Ca 0.05 -0.17 -0.13 0.00 -0.85 0.00 0.00 60.65 59.55 3hf5 h LYS 85 Cb 0.98 -0.19 -0.01 0.00 -0.60 0.00 0.00 32.23 32.40 3hf5 h LYS 85 CO 0.09 0.87 -0.36 0.00 -3.45 0.00 0.00 179.45 176.60 3hf5 h ALA 86 N 1.28 0.84 -0.53 5.00 0.00 -1.28 -2.02 119.26 122.55 3hf5 h ALA 86 Ca 0.26 -0.43 -0.03 0.00 0.00 0.00 0.00 54.91 54.72 3hf5 h ALA 86 Cb 0.15 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.80 3hf5 h ALA 86 CO -0.03 0.64 0.22 2.35 0.00 0.00 0.00 179.25 182.43 3hf5 h TRP 87 N 0.53 0.80 0.00 0.00 7.01 -0.89 -2.16 115.95 121.23 3hf5 h TRP 87 Ca 0.05 -0.06 -0.05 0.00 2.11 0.00 0.00 58.89 60.95 3hf5 h TRP 87 Cb 0.87 -0.24 -0.01 0.00 -2.10 0.00 0.00 29.16 27.69 3hf5 h TRP 87 CO 0.04 0.65 -0.24 0.74 -2.79 0.00 0.00 178.44 176.84 3hf5 h PHE 88 N 0.71 0.00 -0.30 2.65 -1.00 -0.69 -0.66 116.94 117.65 3hf5 h PHE 88 Ca 0.18 0.00 -0.01 0.00 2.81 0.00 0.00 57.97 60.95 3hf5 h PHE 88 Cb 0.18 0.00 -0.01 0.00 3.61 0.00 0.00 35.95 39.73 3hf5 h PHE 88 CO 0.00 0.24 0.14 0.93 -1.61 0.00 0.00 178.31 178.01 3hf5 h GLU 89 N 0.00 0.44 -0.73 1.51 4.39 -0.76 -0.23 114.58 119.19 3hf5 h GLU 89 Ca -0.00 -0.07 0.06 0.00 0.34 0.00 0.00 59.36 59.69 3hf5 h GLU 89 Cb 0.44 -0.08 -0.06 0.00 -0.10 0.00 0.00 28.75 28.96 3hf5 h GLU 89 CO 0.03 0.42 0.43 1.25 -1.16 0.00 0.00 179.01 179.98 3hf5 h HIS 90 N 0.35 0.78 -0.94 4.33 2.76 -0.80 -2.53 115.15 119.11 3hf5 h HIS 90 Ca 0.10 0.03 0.13 0.00 -2.20 0.00 0.00 60.37 58.43 3hf5 h HIS 90 Cb 0.13 -0.25 -0.08 0.00 1.55 0.00 0.00 27.41 28.77 3hf5 h HIS 90 CO -0.02 0.38 0.60 0.78 -1.30 0.00 0.00 177.93 178.37 3hf5 h GLY 91 N 0.78 1.40 2.00 5.26 0.00 -0.45 -1.53 103.07 110.52 3hf5 h GLY 91 Ca 0.33 -0.36 -0.03 0.00 0.00 0.00 0.00 47.33 47.27 3hf5 h GLY 91 CO -0.18 0.13 -0.13 0.50 0.00 0.00 0.00 176.54 176.86 3hf5 h LYS 92 N 0.84 0.00 0.01 4.80 1.57 -0.61 0.35 116.57 123.53 3hf5 h LYS 92 Ca 0.46 0.00 -0.27 0.00 -1.87 0.00 0.00 60.65 58.97 3hf5 h LYS 92 Cb 0.59 0.00 0.02 0.00 0.08 0.00 0.00 32.23 32.92 3hf5 h LYS 92 CO -0.23 0.13 -1.07 -0.92 -0.57 0.00 0.00 179.45 176.79 3hf5 h TYR 93 N 0.00 1.05 -0.01 -1.35 3.20 -1.20 -3.39 116.97 115.27 3hf5 h TYR 93 Ca -0.00 -0.58 0.00 0.00 3.14 0.00 0.00 58.73 61.29 3hf5 h TYR 93 Cb 0.25 -0.11 0.00 0.00 1.54 0.00 0.00 36.73 38.40 3hf5 h TYR 93 CO 0.00 1.42 -0.09 1.97 -1.64 0.00 0.00 178.16 179.82 3hf5 n PHE 94 N -3.85 0.00 -3.68 -3.82 1.16 -1.09 -4.88 117.46 101.30 3hf5 n PHE 94 Ca -0.11 0.00 -0.39 0.00 -1.87 0.00 0.00 57.45 55.08 3hf5 n PHE 94 Cb 0.90 0.00 -0.12 0.00 -1.61 0.00 0.00 39.48 38.65 3hf5 n PHE 94 CO 0.00 0.00 0.00 0.42 -1.87 0.00 0.00 176.76 175.31 3hf5 s ILE 95 N -0.88 4.29 0.01 1.97 1.01 0.09 -4.13 121.20 123.55 3hf5 s ILE 95 Ca 0.06 -0.76 -0.23 0.00 0.00 0.00 0.00 60.65 59.72 3hf5 s ILE 95 Cb 0.05 -3.30 -0.18 0.00 0.01 0.00 0.00 42.46 39.04 3hf5 s ILE 95 CO 0.13 -0.07 1.27 1.23 0.00 0.00 0.00 174.94 177.50 3hf5 h GLY 96 N 8.33 0.23 -4.47 6.18 0.00 -0.73 -3.44 103.07 109.16 3hf5 h GLY 96 Ca -0.28 -0.25 -0.12 0.00 0.00 0.00 0.00 47.33 46.67 3hf5 h GLY 96 CO 0.63 0.23 -0.36 1.20 0.00 0.00 0.00 176.54 178.23 3hf5 s GLN 97 N -4.11 0.62 -0.04 4.80 -0.21 -0.96 -4.90 119.66 114.86 3hf5 s GLN 97 Ca -0.15 -0.35 -0.03 0.00 0.02 0.00 0.00 55.36 54.86 3hf5 s GLN 97 Cb 0.03 0.27 0.02 0.00 1.00 0.00 0.00 33.01 34.33 3hf5 s GLN 97 CO 0.72 -0.17 0.09 -1.17 -2.12 0.00 0.00 175.29 172.65 3hf5 s LEU 98 N -1.50 1.39 -0.21 2.90 2.96 -1.26 -1.04 118.68 121.92 3hf5 s LEU 98 Ca -0.12 0.18 0.02 0.00 -0.22 0.00 0.00 54.13 53.98 3hf5 s LEU 98 Cb -0.05 0.26 0.04 0.00 0.50 0.00 0.00 46.19 46.94 3hf5 s LEU 98 CO 0.02 -0.07 -0.13 -0.75 -1.32 0.00 0.00 176.35 174.10 3hf5 s LYS 99 N 0.42 2.37 0.10 1.98 2.47 -0.47 -4.97 119.74 121.65 3hf5 s LYS 99 Ca -0.03 -1.01 -0.15 0.00 -1.56 0.00 0.00 55.97 53.22 3hf5 s LYS 99 Cb -0.05 -2.62 -0.07 0.00 -1.46 0.00 0.00 37.83 33.64 3hf5 s LYS 99 CO -0.02 -0.41 0.51 -1.25 0.16 0.00 0.00 175.35 174.34 3hf5 s PRO 100 N 1.27 3.99 -0.14 4.03 0.04 -1.26 -0.81 135.00 142.11 3hf5 s PRO 100 Ca -0.02 0.49 0.00 0.00 0.04 0.00 0.00 61.00 61.52 3hf5 s PRO 100 Cb -0.17 -3.05 0.02 0.00 0.04 0.00 0.00 34.50 31.35 3hf5 s PRO 100 CO -0.08 0.55 -0.13 -0.06 0.04 0.00 0.00 177.00 177.31 3hf5 s PHE 101 N -1.33 2.09 -0.17 0.56 0.08 0.45 -4.99 117.98 114.67 3hf5 s PHE 101 Ca 0.33 -1.16 -0.25 0.00 0.12 0.00 0.00 56.93 55.97 3hf5 s PHE 101 Cb -0.16 -1.55 -0.01 0.00 -0.57 0.00 0.00 43.02 40.73 3hf5 s PHE 101 CO 0.18 -0.65 0.84 0.08 -0.10 0.00 0.00 175.22 175.58 3hf5 s VAL 102 N 1.49 4.87 0.32 -0.44 1.01 -1.26 -0.99 120.40 125.40 3hf5 s VAL 102 Ca 0.05 1.65 0.06 0.00 0.00 0.00 0.00 61.98 63.74 3hf5 s VAL 102 Cb -0.13 -4.15 -0.01 0.00 0.00 0.00 0.00 36.38 32.09 3hf5 s VAL 102 CO -0.10 0.02 0.44 0.42 0.00 0.00 0.00 175.10 175.89 3hf5 s THR 103 N 2.15 4.30 -0.06 3.92 -4.23 -0.61 -5.01 115.64 116.10 3hf5 s THR 103 Ca 0.39 -1.00 0.01 0.00 -1.18 0.00 0.00 61.69 59.91 3hf5 s THR 103 Cb -0.17 -3.49 0.02 0.00 1.34 0.00 0.00 72.50 70.20 3hf5 s THR 103 CO 0.13 -0.19 -0.06 -0.70 -0.54 0.00 0.00 174.62 173.25 3hf5 s GLU 104 N -4.13 1.10 0.48 3.99 2.12 -1.26 -4.58 118.70 116.42 3hf5 s GLU 104 Ca 0.43 -0.18 -0.17 0.00 0.36 0.00 0.00 54.97 55.41 3hf5 s GLU 104 Cb -0.09 -1.08 -0.08 0.00 0.26 0.00 0.00 34.13 33.14 3hf5 s GLU 104 CO 0.31 -0.10 0.95 -1.21 -0.54 0.00 0.00 175.26 174.67 3hf5 s GLU 105 N 1.04 4.00 -0.01 4.30 8.01 -1.26 -4.96 118.70 129.82 3hf5 s GLU 105 Ca -0.09 0.93 0.09 0.00 0.01 0.00 0.00 54.97 55.92 3hf5 s GLU 105 Cb -0.14 -2.18 -0.12 0.00 -4.31 0.00 0.00 34.13 27.37 3hf5 s GLU 105 CO -0.00 -0.18 0.30 1.28 0.01 0.00 0.00 175.26 176.67 3hf5 n LEU 106 N -1.29 0.22 0.00 1.80 4.77 -1.26 -5.17 117.00 116.07 3hf5 n LEU 106 Ca 0.06 -0.25 0.00 0.00 -0.03 0.00 0.00 56.01 55.79 3hf5 n LEU 106 Cb 0.54 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.63 3hf5 n LEU 106 CO 0.44 0.06 0.00 1.33 -1.33 0.00 0.00 177.39 177.89