#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1fhs s ILE 2 N 0.00 4.66 -0.17 -0.61 2.07 -1.26 -5.05 121.20 120.85 1fhs s ILE 2 Ca 0.00 1.99 -0.39 0.00 -1.41 0.00 0.00 60.65 60.84 1fhs s ILE 2 Cb 0.00 -4.27 -0.16 0.00 0.13 0.00 0.00 42.46 38.16 1fhs s ILE 2 CO 0.00 0.20 1.66 -0.62 -1.91 0.00 0.00 174.94 174.26 1fhs n GLU 3 N 3.58 1.26 -3.05 3.50 -0.58 -1.26 -4.83 120.64 119.26 1fhs n GLU 3 Ca 0.05 0.46 -0.45 0.00 -0.42 0.00 0.00 57.16 56.81 1fhs n GLU 3 Cb 0.50 -2.15 -0.03 0.00 -0.57 0.00 0.00 31.44 29.18 1fhs n GLU 3 CO 0.00 0.00 0.00 1.41 -0.48 0.00 0.00 177.13 178.06 1fhs s MET 4 N 2.80 3.29 0.47 3.49 -2.45 -1.26 -4.83 119.30 120.81 1fhs s MET 4 Ca 0.94 -1.54 0.00 0.00 -1.25 0.00 0.00 55.69 53.84 1fhs s MET 4 Cb -1.00 -4.47 0.00 0.00 1.25 0.00 0.00 34.83 30.61 1fhs s MET 4 CO 0.59 -1.61 0.00 1.17 1.05 0.00 0.00 175.02 176.22 1fhs n LYS 5 N 6.25 -5.24 -2.38 4.11 4.81 -1.26 -4.78 118.16 119.68 1fhs n LYS 5 Ca 0.04 3.83 -0.43 0.00 -0.87 0.00 0.00 58.31 60.88 1fhs n LYS 5 Cb 0.45 -4.26 -0.02 0.00 0.02 0.00 0.00 35.03 31.22 1fhs n LYS 5 CO 0.00 0.00 0.00 -1.25 1.17 0.00 0.00 177.40 177.32 1fhs s PRO 6 N -2.71 4.24 0.18 1.64 0.04 -1.26 -4.97 135.00 132.16 1fhs s PRO 6 Ca 0.00 1.72 -0.31 0.00 0.04 0.00 0.00 61.00 62.45 1fhs s PRO 6 Cb 0.00 -3.76 -0.10 0.00 0.04 0.00 0.00 34.50 30.68 1fhs s PRO 6 CO 0.00 -0.70 1.49 -1.58 0.04 0.00 0.00 177.00 176.26 1fhs s HIS 7 N 3.42 3.09 0.00 0.56 2.46 -1.26 -4.98 115.29 118.58 1fhs s HIS 7 Ca 0.57 0.81 0.00 0.00 0.47 0.00 0.00 55.06 56.90 1fhs s HIS 7 Cb -0.23 -3.84 0.00 0.00 -0.13 0.00 0.00 32.58 28.37 1fhs s HIS 7 CO 0.17 -2.99 0.00 -2.30 -2.47 0.00 0.00 174.74 167.15 1fhs n PRO 8 N 3.52 0.00 -1.03 2.88 -0.02 -1.26 -4.63 135.00 134.45 1fhs n PRO 8 Ca 0.11 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.59 1fhs n PRO 8 Cb 0.40 0.00 -0.01 0.00 -0.02 0.00 0.00 33.50 33.87 1fhs n PRO 8 CO 0.00 0.00 0.00 -2.67 1.98 0.00 0.00 175.50 174.81 1fhs n TRP 9 N 0.00 0.00 -3.06 6.00 4.27 -1.26 -4.91 117.44 118.48 1fhs n TRP 9 Ca 0.00 -0.33 -0.43 0.00 -3.89 0.00 0.00 57.50 52.86 1fhs n TRP 9 Cb 0.00 0.07 -0.06 0.00 -1.36 0.00 0.00 31.31 29.96 1fhs n TRP 9 CO 0.00 0.00 0.00 -0.06 -2.29 0.00 0.00 177.69 175.34 1fhs s PHE 10 N 0.00 3.05 -0.61 -2.67 0.08 -1.26 -3.20 117.98 113.38 1fhs s PHE 10 Ca 0.14 0.07 -0.19 0.00 0.12 0.00 0.00 56.93 57.08 1fhs s PHE 10 Cb 0.16 -3.42 0.11 0.00 -0.57 0.00 0.00 43.02 39.30 1fhs s PHE 10 CO -0.07 -0.87 0.71 -0.06 -0.10 0.00 0.00 175.22 174.83 1fhs s PHE 11 N 2.95 3.03 0.32 0.36 0.40 -0.97 -4.99 117.98 119.09 1fhs s PHE 11 Ca 0.25 -1.02 -0.29 0.00 -0.60 0.00 0.00 56.93 55.27 1fhs s PHE 11 Cb -0.14 -4.01 -0.10 0.00 0.51 0.00 0.00 43.02 39.29 1fhs s PHE 11 CO 0.20 -1.28 1.21 0.20 0.70 0.00 0.00 175.22 176.25 1fhs s GLY 12 N 3.59 3.01 -0.62 4.36 0.00 -1.26 -2.82 107.32 113.58 1fhs s GLY 12 Ca 0.12 1.09 -0.02 0.00 0.00 0.00 0.00 44.72 45.91 1fhs s GLY 12 CO 0.05 1.71 0.04 1.17 0.00 0.00 0.00 173.10 176.07 1fhs n LYS 13 N 0.86 -0.96 -2.68 2.90 4.81 -0.86 -4.79 118.16 117.43 1fhs n LYS 13 Ca 0.00 0.04 -0.43 0.00 -0.87 0.00 0.00 58.31 57.05 1fhs n LYS 13 Cb 0.43 -1.46 -0.02 0.00 0.02 0.00 0.00 35.03 34.00 1fhs n LYS 13 CO 0.00 0.00 0.00 -1.50 1.17 0.00 0.00 177.40 177.07 1fhs s ILE 14 N -3.24 4.77 -0.22 3.15 1.10 -1.23 -4.91 121.20 120.61 1fhs s ILE 14 Ca 0.06 2.04 -0.40 0.00 -0.51 0.00 0.00 60.65 61.84 1fhs s ILE 14 Cb -0.03 -4.31 -0.16 0.00 0.15 0.00 0.00 42.46 38.10 1fhs s ILE 14 CO 0.39 -0.02 1.64 -2.65 -2.11 0.00 0.00 174.94 172.19 1fhs n PRO 15 N 5.20 1.04 -0.30 3.50 -0.02 -1.26 -4.61 135.00 138.55 1fhs n PRO 15 Ca 0.09 0.38 0.23 0.00 -2.02 0.00 0.00 63.50 62.19 1fhs n PRO 15 Cb 0.48 -2.04 0.44 0.00 -0.02 0.00 0.00 33.50 32.36 1fhs n PRO 15 CO 0.00 0.00 0.00 -2.13 1.98 0.00 0.00 175.50 175.35 1fhs n ARG 16 N 4.66 -0.06 0.35 -0.52 0.00 -1.26 0.15 116.66 119.97 1fhs n ARG 16 Ca 0.25 1.30 -0.16 0.00 -0.00 0.00 0.00 57.85 59.25 1fhs n ARG 16 Cb 0.12 -2.23 -0.08 0.00 0.00 0.00 0.00 32.46 30.27 1fhs n ARG 16 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1fhs h ALA 17 N 1.83 -0.90 -0.83 5.13 0.00 -2.00 -2.81 119.26 119.67 1fhs h ALA 17 Ca 0.69 -0.21 0.16 0.00 0.00 0.00 0.00 54.91 55.55 1fhs h ALA 17 Cb 1.72 0.35 -0.15 0.00 0.00 0.00 0.00 17.79 19.70 1fhs h ALA 17 CO -0.76 -0.89 -0.26 -0.22 0.00 0.00 0.00 179.25 177.12 1fhs h LYS 18 N -1.13 -0.03 -0.86 0.00 1.63 0.11 1.28 116.57 117.57 1fhs h LYS 18 Ca -0.09 0.00 0.18 0.00 -0.85 0.00 0.00 60.65 59.89 1fhs h LYS 18 Cb 0.72 0.01 -0.16 0.00 -0.60 0.00 0.00 32.23 32.20 1fhs h LYS 18 CO 0.15 -0.02 -0.16 0.00 -3.45 0.00 0.00 179.45 175.97 1fhs h ALA 19 N 1.63 0.66 -0.40 5.00 0.00 -0.29 0.61 119.26 126.47 1fhs h ALA 19 Ca 0.37 0.32 -0.03 0.00 0.00 0.00 0.00 54.91 55.57 1fhs h ALA 19 Cb 0.61 0.62 -0.02 0.00 0.00 0.00 0.00 17.79 19.00 1fhs h ALA 19 CO -0.86 -0.42 0.13 0.93 0.00 0.00 0.00 179.25 179.03 1fhs h GLU 20 N 0.01 0.62 0.00 0.00 5.08 0.17 -2.61 114.58 117.85 1fhs h GLU 20 Ca 0.43 -0.13 0.00 0.00 -1.00 0.00 0.00 59.36 58.66 1fhs h GLU 20 Cb 0.71 -0.09 0.00 0.00 0.50 0.00 0.00 28.75 29.86 1fhs h GLU 20 CO -0.86 0.62 0.00 0.39 -1.00 0.00 0.00 179.01 178.16 1fhs n GLU 21 N -4.60 0.00 -0.35 2.33 1.02 0.20 0.12 120.64 119.35 1fhs n GLU 21 Ca -0.00 0.06 0.24 0.00 -0.02 0.00 0.00 57.16 57.44 1fhs n GLU 21 Cb 0.17 -0.98 0.49 0.00 -0.02 0.00 0.00 31.44 31.11 1fhs n GLU 21 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1fhs h MET 22 N 0.00 0.35 -0.24 3.49 -0.00 -1.26 1.22 114.93 118.49 1fhs h MET 22 Ca 0.00 -0.02 -0.13 0.00 -0.00 0.00 0.00 59.70 59.54 1fhs h MET 22 Cb 0.00 -0.08 -0.01 0.00 -0.00 0.00 0.00 31.60 31.51 1fhs h MET 22 CO 0.00 0.23 -0.41 1.25 -0.00 0.00 0.00 176.91 177.98 1fhs h LEU 23 N 0.36 0.60 -1.91 -0.10 5.85 -1.45 -2.47 115.31 116.19 1fhs h LEU 23 Ca 0.69 -0.27 -0.02 0.00 0.84 0.00 0.00 57.88 59.12 1fhs h LEU 23 Cb 1.67 -0.17 -0.00 0.00 0.37 0.00 0.00 40.66 42.53 1fhs h LEU 23 CO -0.46 0.94 -0.11 0.77 -0.34 0.00 0.00 178.44 179.24 1fhs h SER 24 N 0.46 0.00 0.00 1.25 4.64 0.92 -2.64 113.55 118.18 1fhs h SER 24 Ca 0.04 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.36 1fhs h SER 24 Cb 0.92 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.01 1fhs h SER 24 CO 0.08 0.11 0.00 0.29 -0.87 0.00 0.00 176.83 176.44 1fhs n LYS 25 N -4.07 0.71 -4.64 4.77 5.02 -0.54 -4.75 118.16 114.66 1fhs n LYS 25 Ca -0.02 0.00 -0.32 0.00 -2.02 0.00 0.00 58.31 55.94 1fhs n LYS 25 Cb 0.19 -1.14 -0.12 0.00 -0.02 0.00 0.00 35.03 33.94 1fhs n LYS 25 CO 0.00 0.00 0.00 -0.65 -0.52 0.00 0.00 177.40 176.23 1fhs s GLN 26 N 0.48 2.50 -0.11 1.97 -1.52 -1.00 -5.04 119.66 116.94 1fhs s GLN 26 Ca 0.00 -0.72 -0.08 0.00 -1.95 0.00 0.00 55.36 52.60 1fhs s GLN 26 Cb 0.00 -2.43 -0.03 0.00 -0.22 0.00 0.00 33.01 30.33 1fhs s GLN 26 CO 0.00 0.61 -0.16 0.54 -0.25 0.00 0.00 175.29 176.03 1fhs n ARG 27 N 1.88 0.34 0.00 2.91 3.00 -1.26 -4.97 116.66 118.56 1fhs n ARG 27 Ca -0.16 0.37 0.00 0.00 -0.01 0.00 0.00 57.85 58.05 1fhs n ARG 27 Cb 0.52 -1.36 0.00 0.00 0.00 0.00 0.00 32.46 31.62 1fhs n ARG 27 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.63 178.35 1fhs n HIS 28 N -3.93 -0.41 -3.68 -1.55 8.25 -1.26 -5.01 115.22 107.63 1fhs n HIS 28 Ca -0.06 0.00 -0.20 0.00 -0.26 0.00 0.00 57.72 57.19 1fhs n HIS 28 Cb 0.23 0.00 -0.18 0.00 1.12 0.00 0.00 29.99 31.16 1fhs n HIS 28 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 1fhs s ASP 29 N -2.08 1.17 0.00 0.41 1.11 -1.26 -4.82 116.67 111.20 1fhs s ASP 29 Ca 0.00 0.06 0.00 0.00 0.18 0.00 0.00 52.55 52.79 1fhs s ASP 29 Cb 0.00 -0.17 0.00 0.00 1.07 0.00 0.00 42.92 43.82 1fhs s ASP 29 CO 0.00 -0.24 0.00 0.61 1.18 0.00 0.00 175.17 176.72 1fhs n GLY 30 N 5.28 1.01 3.66 0.21 0.00 -1.08 -4.42 105.19 109.84 1fhs n GLY 30 Ca -0.04 0.00 -0.59 0.00 0.00 0.00 0.00 46.02 45.40 1fhs n GLY 30 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1fhs n ALA 31 N 0.00 -0.19 -2.31 4.61 0.00 -1.22 -2.91 120.51 118.49 1fhs n ALA 31 Ca 0.00 0.34 -0.14 0.00 0.00 0.00 0.00 53.44 53.64 1fhs n ALA 31 Cb 0.00 -2.20 -0.10 0.00 0.00 0.00 0.00 19.45 17.14 1fhs n ALA 31 CO 0.00 0.00 0.00 -0.59 0.00 0.00 0.00 177.50 176.91 1fhs s PHE 32 N 4.07 1.20 0.07 0.00 -0.71 -1.15 -1.41 117.98 120.05 1fhs s PHE 32 Ca 1.02 -0.74 -0.21 0.00 -1.04 0.00 0.00 56.93 55.97 1fhs s PHE 32 Cb -1.14 -0.62 0.05 0.00 -1.21 0.00 0.00 43.02 40.09 1fhs s PHE 32 CO 0.67 0.05 0.49 -0.48 -1.34 0.00 0.00 175.22 174.60 1fhs s LEU 33 N -2.96 0.05 -0.22 -1.99 0.05 -0.46 -4.83 118.68 108.32 1fhs s LEU 33 Ca 0.13 0.06 0.02 0.00 0.05 0.00 0.00 54.13 54.39 1fhs s LEU 33 Cb 0.01 2.05 0.04 0.00 -2.05 0.00 0.00 46.19 46.24 1fhs s LEU 33 CO 0.00 -0.75 -0.15 -0.63 -0.55 0.00 0.00 176.35 174.28 1fhs s ILE 34 N -2.74 2.10 -0.12 1.48 1.01 -1.19 -0.01 121.20 121.73 1fhs s ILE 34 Ca -0.04 -1.32 -0.29 0.00 0.00 0.00 0.00 60.65 59.00 1fhs s ILE 34 Cb -0.00 -2.08 -0.01 0.00 0.01 0.00 0.00 42.46 40.37 1fhs s ILE 34 CO -0.04 0.21 0.99 0.00 0.00 0.00 0.00 174.94 176.10 1fhs s ARG 35 N 1.19 4.40 -0.09 2.79 3.03 -1.19 -2.29 118.95 126.80 1fhs s ARG 35 Ca -0.03 1.35 0.02 0.00 2.03 0.00 0.00 55.73 59.11 1fhs s ARG 35 Cb -0.17 -3.55 -0.01 0.00 -1.03 0.00 0.00 34.95 30.19 1fhs s ARG 35 CO -0.08 -0.33 -0.17 -1.83 -1.13 0.00 0.00 175.30 171.76 1fhs s GLU 36 N 2.07 2.97 0.00 3.89 -1.05 -1.13 -3.97 118.70 121.48 1fhs s GLU 36 Ca 0.47 -0.76 0.00 0.00 -0.15 0.00 0.00 54.97 54.53 1fhs s GLU 36 Cb -0.18 -2.44 0.00 0.00 -0.44 0.00 0.00 34.13 31.07 1fhs s GLU 36 CO 0.17 0.34 0.00 0.45 0.95 0.00 0.00 175.26 177.17 1fhs n SER 37 N 3.13 0.00 -0.48 0.83 2.88 -1.26 -2.04 113.62 116.68 1fhs n SER 37 Ca -0.18 0.00 0.41 0.00 -1.33 0.00 0.00 58.87 57.77 1fhs n SER 37 Cb 0.52 -0.50 0.69 0.00 -0.75 0.00 0.00 64.21 64.17 1fhs n SER 37 CO 0.00 0.00 0.00 -0.08 -1.23 0.00 0.00 175.04 173.73 1fhs h GLU 38 N 0.86 0.01 -1.31 -1.46 4.81 -1.87 -2.24 114.58 113.38 1fhs h GLU 38 Ca 0.00 -0.00 -0.41 0.00 -0.13 0.00 0.00 59.36 58.82 1fhs h GLU 38 Cb 0.00 -0.00 -0.28 0.00 0.63 0.00 0.00 28.75 29.10 1fhs h GLU 38 CO 0.00 0.01 -0.82 -1.13 -0.73 0.00 0.00 179.01 176.34 1fhs n SER 39 N -4.69 -1.36 -2.95 1.04 3.41 -1.26 -5.02 113.62 102.79 1fhs n SER 39 Ca 0.40 -2.86 0.00 0.00 -0.26 0.00 0.00 58.87 56.15 1fhs n SER 39 Cb 1.58 0.45 0.00 0.00 -0.26 0.00 0.00 64.21 65.98 1fhs n SER 39 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1fhs n ALA 40 N 1.91 0.00 -1.00 7.33 0.00 -0.85 -4.51 120.51 123.39 1fhs n ALA 40 Ca 0.18 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.62 1fhs n ALA 40 Cb 0.56 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.01 1fhs n ALA 40 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 1fhs n PRO 41 N -0.77 0.00 -1.69 0.00 -0.04 -1.26 -4.78 135.00 126.46 1fhs n PRO 41 Ca 0.00 0.00 -0.38 0.00 -0.04 0.00 0.00 63.50 63.08 1fhs n PRO 41 Cb 0.00 0.00 -0.05 0.00 -0.04 0.00 0.00 33.50 33.41 1fhs n PRO 41 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1fhs n GLY 42 N 0.76 2.25 2.77 0.55 0.00 -1.26 -4.67 105.19 105.59 1fhs n GLY 42 Ca 0.00 -1.13 -0.29 0.00 0.00 0.00 0.00 46.02 44.60 1fhs n GLY 42 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1fhs s ASP 43 N 5.20 3.63 -0.03 1.61 1.11 -1.26 -4.65 116.67 122.28 1fhs s ASP 43 Ca 0.60 -1.29 0.02 0.00 0.18 0.00 0.00 52.55 52.06 1fhs s ASP 43 Cb 0.08 -0.84 0.01 0.00 1.07 0.00 0.00 42.92 43.24 1fhs s ASP 43 CO 0.10 -0.35 -0.08 -0.36 1.18 0.00 0.00 175.17 175.66 1fhs s PHE 44 N 1.65 0.89 -0.02 4.23 0.08 -1.25 -4.04 117.98 119.52 1fhs s PHE 44 Ca 0.03 -0.24 0.05 0.00 0.12 0.00 0.00 56.93 56.89 1fhs s PHE 44 Cb -0.17 -0.67 -0.01 0.00 -0.57 0.00 0.00 43.02 41.59 1fhs s PHE 44 CO -0.16 -0.13 -0.16 -1.54 -0.10 0.00 0.00 175.22 173.14 1fhs s SER 45 N 0.38 1.89 -0.31 1.36 1.04 -1.25 0.11 113.70 116.92 1fhs s SER 45 Ca -0.06 -0.30 -0.14 0.00 0.48 0.00 0.00 55.95 55.93 1fhs s SER 45 Cb -0.10 -0.29 -0.02 0.00 0.10 0.00 0.00 66.02 65.71 1fhs s SER 45 CO 0.01 0.18 0.34 -0.22 0.98 0.00 0.00 173.24 174.53 1fhs s LEU 46 N -0.27 4.27 -0.03 2.42 0.20 0.78 -3.13 118.68 122.92 1fhs s LEU 46 Ca 0.04 -0.06 -0.10 0.00 0.69 0.00 0.00 54.13 54.70 1fhs s LEU 46 Cb -0.07 -2.33 -0.05 0.00 -0.43 0.00 0.00 46.19 43.31 1fhs s LEU 46 CO -0.00 -0.25 0.29 -0.44 -0.29 0.00 0.00 176.35 175.65 1fhs s SER 47 N 1.71 6.58 -0.15 3.68 0.01 0.99 0.21 113.70 126.73 1fhs s SER 47 Ca 0.12 0.69 -0.13 0.00 1.31 0.00 0.00 55.95 57.94 1fhs s SER 47 Cb -0.16 -2.15 0.04 0.00 0.21 0.00 0.00 66.02 63.96 1fhs s SER 47 CO 0.11 0.32 0.39 -0.69 0.41 0.00 0.00 173.24 173.78 1fhs s VAL 48 N -1.15 -0.00 -0.48 3.43 1.01 0.10 -1.35 120.40 121.96 1fhs s VAL 48 Ca 0.23 0.02 -0.29 0.00 0.00 0.00 0.00 61.98 61.94 1fhs s VAL 48 Cb -0.14 -0.55 0.02 0.00 0.00 0.00 0.00 36.38 35.71 1fhs s VAL 48 CO 0.12 0.01 1.23 -0.75 0.00 0.00 0.00 175.10 175.70 1fhs s LYS 49 N 0.39 3.64 0.00 2.72 2.20 -0.50 0.09 119.74 128.28 1fhs s LYS 49 Ca -0.02 0.61 0.00 0.00 -0.36 0.00 0.00 55.97 56.21 1fhs s LYS 49 Cb -0.04 -3.96 0.00 0.00 -1.51 0.00 0.00 37.83 32.32 1fhs s LYS 49 CO -0.02 -1.50 0.00 0.34 -0.36 0.00 0.00 175.35 173.82 1fhs n PHE 50 N 8.27 0.00 0.00 4.03 7.35 -1.09 -2.64 117.46 133.38 1fhs n PHE 50 Ca 0.13 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.82 1fhs n PHE 50 Cb 0.49 0.00 0.00 0.00 0.35 0.00 0.00 39.48 40.32 1fhs n PHE 50 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 1fhs n GLY 51 N 2.69 -0.14 0.01 7.13 0.00 -1.26 -4.71 105.19 108.90 1fhs n GLY 51 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1fhs n GLY 51 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1fhs n ASN 52 N -1.55 4.29 -4.49 1.61 4.05 -1.26 -5.01 115.26 112.90 1fhs n ASN 52 Ca 0.00 0.00 -0.22 0.00 0.45 0.00 0.00 54.58 54.81 1fhs n ASN 52 Cb 0.00 0.88 0.01 0.00 1.23 0.00 0.00 39.78 41.90 1fhs n ASN 52 CO 0.00 0.00 0.00 -0.67 -3.05 0.00 0.00 177.26 173.54 1fhs n ASP 53 N -1.84 2.43 -4.57 1.20 2.03 -1.26 -5.02 116.55 109.52 1fhs n ASP 53 Ca -0.02 -2.61 -0.39 0.00 0.52 0.00 0.00 54.79 52.28 1fhs n ASP 53 Cb 0.32 -0.09 -0.10 0.00 -0.72 0.00 0.00 41.12 40.53 1fhs n ASP 53 CO 0.00 0.00 0.00 -0.69 -1.92 0.00 0.00 177.20 174.59 1fhs s VAL 54 N -2.35 5.23 0.23 5.18 1.01 -1.26 -2.67 120.40 125.78 1fhs s VAL 54 Ca 0.31 0.16 0.02 0.00 0.00 0.00 0.00 61.98 62.47 1fhs s VAL 54 Cb -0.02 -3.68 -0.03 0.00 0.00 0.00 0.00 36.38 32.64 1fhs s VAL 54 CO 0.20 0.08 0.39 -1.58 0.00 0.00 0.00 175.10 174.19 1fhs s GLN 55 N 1.90 3.47 -0.09 2.72 0.74 0.11 -4.92 119.66 123.59 1fhs s GLN 55 Ca 0.10 -0.56 -0.07 0.00 0.05 0.00 0.00 55.36 54.89 1fhs s GLN 55 Cb -0.16 -2.85 0.03 0.00 1.10 0.00 0.00 33.01 31.12 1fhs s GLN 55 CO 0.11 0.39 0.22 -3.38 -0.55 0.00 0.00 175.29 172.08 1fhs s HIS 56 N -1.97 -0.26 -0.26 1.67 -3.43 -1.26 0.02 115.29 109.80 1fhs s HIS 56 Ca 0.36 0.63 0.02 0.00 -0.80 0.00 0.00 55.06 55.27 1fhs s HIS 56 Cb -0.10 0.06 0.05 0.00 -1.43 0.00 0.00 32.58 31.17 1fhs s HIS 56 CO 0.30 -0.15 -0.09 -0.06 -2.00 0.00 0.00 174.74 172.74 1fhs s PHE 57 N 0.47 3.23 -0.27 0.38 0.08 0.13 -4.90 117.98 117.09 1fhs s PHE 57 Ca -0.03 -2.15 -0.28 0.00 0.12 0.00 0.00 56.93 54.59 1fhs s PHE 57 Cb -0.04 -1.97 -0.04 0.00 -0.57 0.00 0.00 43.02 40.39 1fhs s PHE 57 CO -0.02 -0.85 2.10 0.15 -0.10 0.00 0.00 175.22 176.49 1fhs s LYS 58 N 1.16 3.14 -0.93 0.44 1.02 -1.26 -0.16 119.74 123.14 1fhs s LYS 58 Ca -0.07 1.80 -0.24 0.00 0.02 0.00 0.00 55.97 57.49 1fhs s LYS 58 Cb -0.19 -4.33 0.03 0.00 -0.52 0.00 0.00 37.83 32.81 1fhs s LYS 58 CO -0.05 -2.09 1.52 0.08 -0.92 0.00 0.00 175.35 173.89 1fhs s VAL 59 N 8.06 3.78 1.16 3.17 1.01 0.30 -4.52 120.40 133.37 1fhs s VAL 59 Ca 0.94 -0.45 -0.19 0.00 0.00 0.00 0.00 61.98 62.27 1fhs s VAL 59 Cb -0.29 -4.81 0.28 0.00 0.00 0.00 0.00 36.38 31.56 1fhs s VAL 59 CO 0.34 -1.72 1.20 -0.76 0.00 0.00 0.00 175.10 174.16 1fhs s LEU 60 N 6.13 1.29 0.00 3.92 1.43 0.22 -3.81 118.68 127.86 1fhs s LEU 60 Ca 0.49 0.38 0.00 0.00 -1.03 0.00 0.00 54.13 53.97 1fhs s LEU 60 Cb -0.03 -2.12 0.00 0.00 0.03 0.00 0.00 46.19 44.07 1fhs s LEU 60 CO -0.03 -3.85 0.00 -2.11 0.23 0.00 0.00 176.35 170.60 1fhs n ARG 61 N -4.53 0.00 0.00 1.70 1.85 -1.26 -2.74 116.66 111.67 1fhs n ARG 61 Ca 0.16 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 57.01 1fhs n ARG 61 Cb 0.60 0.00 0.00 0.00 -1.05 0.00 0.00 32.46 32.01 1fhs n ARG 61 CO 0.00 0.00 0.00 -3.47 -0.01 0.00 0.00 177.63 174.15 1fhs n ASP 62 N 0.00 0.00 0.00 2.89 2.03 0.30 -4.53 116.55 117.24 1fhs n ASP 62 Ca 0.00 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.31 1fhs n ASP 62 Cb 0.00 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.40 1fhs n ASP 62 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1fhs n GLY 63 N 0.00 0.00 0.13 0.27 0.00 -1.26 -2.44 105.19 101.89 1fhs n GLY 63 Ca 0.00 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.79 1fhs n GLY 63 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1fhs n ALA 64 N -2.68 1.22 0.30 4.61 0.00 -1.26 -4.07 120.51 118.63 1fhs n ALA 64 Ca 0.00 -0.98 0.20 0.00 0.00 0.00 0.00 53.44 52.66 1fhs n ALA 64 Cb 0.00 -0.14 1.06 0.00 0.00 0.00 0.00 19.45 20.37 1fhs n ALA 64 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 1fhs h GLY 65 N 0.58 0.00 0.00 0.00 0.00 -1.98 -3.48 103.07 98.19 1fhs h GLY 65 Ca -0.58 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.75 1fhs h GLY 65 CO -0.19 0.00 0.00 0.28 0.00 0.00 0.00 176.54 176.63 1fhs n LYS 66 N -2.89 0.00 -2.69 4.80 5.02 -1.02 -4.00 118.16 117.37 1fhs n LYS 66 Ca -0.02 0.00 -0.38 0.00 -2.02 0.00 0.00 58.31 55.89 1fhs n LYS 66 Cb 0.07 0.00 -0.06 0.00 -0.02 0.00 0.00 35.03 35.03 1fhs n LYS 66 CO 0.00 0.00 0.00 0.71 -0.52 0.00 0.00 177.40 177.59 1fhs s TYR 67 N 0.00 3.67 -0.22 2.13 2.02 -0.92 -0.54 117.35 123.49 1fhs s TYR 67 Ca 0.00 1.78 -0.17 0.00 -0.37 0.00 0.00 57.07 58.31 1fhs s TYR 67 Cb 0.00 -3.02 0.06 0.00 -0.40 0.00 0.00 41.96 38.60 1fhs s TYR 67 CO 0.00 0.01 0.57 0.12 -1.57 0.00 0.00 175.55 174.68 1fhs s PHE 68 N -1.46 -0.73 0.00 2.71 5.36 -1.11 0.13 117.98 122.88 1fhs s PHE 68 Ca 0.49 1.64 0.00 0.00 -0.96 0.00 0.00 56.93 58.09 1fhs s PHE 68 Cb -0.23 0.33 0.00 0.00 -0.34 0.00 0.00 43.02 42.78 1fhs s PHE 68 CO 0.29 -0.37 0.00 1.28 -1.46 0.00 0.00 175.22 174.96 1fhs n LEU 69 N 3.45 0.00 0.01 6.12 4.77 -1.25 0.69 117.00 130.78 1fhs n LEU 69 Ca -0.17 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.81 1fhs n LEU 69 Cb 0.57 -0.07 0.00 0.00 -2.33 0.00 0.00 43.42 41.59 1fhs n LEU 69 CO 0.05 -0.07 0.00 0.79 -1.33 0.00 0.00 177.39 176.83 1fhs n TRP 70 N -1.63 -0.04 -0.07 -1.77 8.01 -1.26 -4.86 117.44 115.82 1fhs n TRP 70 Ca 0.00 0.01 -0.11 0.00 -1.31 0.00 0.00 57.50 56.08 1fhs n TRP 70 Cb 0.00 0.08 -0.06 0.00 -2.01 0.00 0.00 31.31 29.32 1fhs n TRP 70 CO 0.00 0.00 0.00 0.28 -1.01 0.00 0.00 177.69 176.96 1fhs n VAL 71 N -2.60 0.84 -4.82 -0.99 0.31 -1.26 -4.99 118.33 104.82 1fhs n VAL 71 Ca 0.00 -0.30 -0.32 0.00 -0.01 0.00 0.00 64.34 63.71 1fhs n VAL 71 Cb 0.00 -1.15 -0.13 0.00 -0.91 0.00 0.00 33.84 31.65 1fhs n VAL 71 CO 0.00 0.00 0.00 0.68 -1.32 0.00 0.00 176.83 176.19 1fhs s VAL 72 N -2.29 2.90 0.00 2.52 -7.23 -1.26 -5.12 120.40 109.92 1fhs s VAL 72 Ca -0.20 -0.93 0.00 0.00 -1.81 0.00 0.00 61.98 59.04 1fhs s VAL 72 Cb 0.06 -2.17 0.00 0.00 0.56 0.00 0.00 36.38 34.83 1fhs s VAL 72 CO 0.32 0.48 0.00 2.29 -0.31 0.00 0.00 175.10 177.89 1fhs n LYS 73 N 1.99 0.16 -3.73 4.82 2.85 -1.26 -3.97 118.16 119.02 1fhs n LYS 73 Ca -0.17 0.00 -0.12 0.00 -1.05 0.00 0.00 58.31 56.97 1fhs n LYS 73 Cb 0.52 0.00 -0.11 0.00 -0.65 0.00 0.00 35.03 34.79 1fhs n LYS 73 CO 0.00 0.00 0.00 -0.06 -0.05 0.00 0.00 177.40 177.29 1fhs s PHE 74 N -0.73 -0.46 -0.47 5.58 0.40 0.36 -4.92 117.98 117.73 1fhs s PHE 74 Ca 0.00 1.07 -0.03 0.00 -0.60 0.00 0.00 56.93 57.37 1fhs s PHE 74 Cb 0.00 0.17 0.14 0.00 0.51 0.00 0.00 43.02 43.84 1fhs s PHE 74 CO 0.00 -0.24 2.53 -1.71 0.70 0.00 0.00 175.22 176.50 1fhs n ASN 75 N 3.34 6.63 0.00 1.36 2.85 -1.26 -2.17 115.26 126.01 1fhs n ASN 75 Ca -0.17 -3.27 0.00 0.00 -0.11 0.00 0.00 54.58 51.04 1fhs n ASN 75 Cb 0.56 -1.17 0.00 0.00 1.24 0.00 0.00 39.78 40.41 1fhs n ASN 75 CO 0.00 0.00 0.00 -1.54 -2.11 0.00 0.00 177.26 173.61 1fhs n SER 76 N 0.56 0.00 -0.29 1.20 3.41 -1.26 -4.69 113.62 112.55 1fhs n SER 76 Ca 0.46 0.00 0.11 0.00 -0.26 0.00 0.00 58.87 59.18 1fhs n SER 76 Cb 0.53 0.00 0.26 0.00 -0.26 0.00 0.00 64.21 64.75 1fhs n SER 76 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 175.04 174.81 1fhs h LEU 77 N 0.00 0.15 -1.52 1.04 3.38 -1.97 1.20 115.31 117.58 1fhs h LEU 77 Ca 0.00 0.16 0.06 0.00 0.09 0.00 0.00 57.88 58.19 1fhs h LEU 77 Cb 0.00 0.19 -0.03 0.00 0.09 0.00 0.00 40.66 40.90 1fhs h LEU 77 CO 0.00 -0.05 0.39 -1.13 0.09 0.00 0.00 178.44 177.74 1fhs h ASN 78 N 0.31 0.52 0.20 -0.43 -0.73 -1.97 0.40 115.58 113.88 1fhs h ASN 78 Ca 0.51 -0.00 -0.02 0.00 1.87 0.00 0.00 56.30 58.66 1fhs h ASN 78 Cb 0.96 -0.11 -0.00 0.00 0.27 0.00 0.00 38.32 39.43 1fhs h ASN 78 CO -0.56 0.34 -0.09 -0.08 -0.37 0.00 0.00 177.43 176.68 1fhs h GLU 79 N 0.59 0.00 0.00 6.67 4.57 0.12 0.87 114.58 127.40 1fhs h GLU 79 Ca 0.25 0.00 -0.03 0.00 -1.18 0.00 0.00 59.36 58.40 1fhs h GLU 79 Cb 0.24 0.00 -0.00 0.00 -0.16 0.00 0.00 28.75 28.83 1fhs h GLU 79 CO -0.07 0.09 -0.39 1.25 -1.18 0.00 0.00 179.01 178.71 1fhs h LEU 80 N 0.00 0.00 -1.57 1.64 6.46 -0.16 -2.76 115.31 118.92 1fhs h LEU 80 Ca -0.00 -0.17 0.27 0.00 -0.12 0.00 0.00 57.88 57.86 1fhs h LEU 80 Cb 0.21 0.00 -0.08 0.00 -0.73 0.00 0.00 40.66 40.06 1fhs h LEU 80 CO 0.01 0.79 0.69 0.58 -0.62 0.00 0.00 178.44 179.90 1fhs h VAL 81 N -1.00 0.52 -0.29 1.05 2.07 -0.29 0.18 116.25 118.50 1fhs h VAL 81 Ca -0.05 -0.10 -0.16 0.00 0.82 0.00 0.00 66.70 67.21 1fhs h VAL 81 Cb 0.50 0.22 -0.00 0.00 -1.52 0.00 0.00 31.29 30.49 1fhs h VAL 81 CO -0.03 0.05 -0.45 -0.78 0.02 0.00 0.00 177.57 176.38 1fhs h ASP 82 N 0.28 0.90 0.44 0.57 3.58 0.69 1.17 116.42 124.04 1fhs h ASP 82 Ca 0.55 -0.52 -0.02 0.00 0.42 0.00 0.00 57.03 57.47 1fhs h ASP 82 Cb 1.63 -0.26 0.00 0.00 1.72 0.00 0.00 39.33 42.43 1fhs h ASP 82 CO -0.19 1.24 -0.21 1.88 -2.88 0.00 0.00 179.24 179.08 1fhs h TYR 83 N 0.58 -0.54 -0.01 0.28 -1.99 -0.52 -2.58 116.97 112.19 1fhs h TYR 83 Ca 0.02 -0.01 -0.03 0.00 2.00 0.00 0.00 58.73 60.72 1fhs h TYR 83 Cb 1.05 0.18 -0.00 0.00 2.00 0.00 0.00 36.73 39.96 1fhs h TYR 83 CO 0.08 -0.28 -0.12 0.45 -0.00 0.00 0.00 178.16 178.29 1fhs h HIS 84 N -0.70 0.02 -1.24 4.88 3.86 -0.76 -2.24 115.15 118.97 1fhs h HIS 84 Ca -0.06 -0.00 0.43 0.00 -1.16 0.00 0.00 60.37 59.58 1fhs h HIS 84 Cb 0.51 -0.01 -0.12 0.00 1.06 0.00 0.00 27.41 28.85 1fhs h HIS 84 CO -0.02 0.14 0.80 -2.13 0.86 0.00 0.00 177.93 177.57 1fhs n ARG 85 N -4.39 -0.03 -2.74 2.45 3.00 0.40 -1.33 116.66 114.02 1fhs n ARG 85 Ca -0.02 1.12 -0.03 0.00 -0.00 0.00 0.00 57.85 58.92 1fhs n ARG 85 Cb 0.20 -2.21 0.08 0.00 0.00 0.00 0.00 32.46 30.52 1fhs n ARG 85 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.63 176.50 1fhs n SER 86 N -4.49 0.16 0.00 6.15 3.41 -1.01 -4.34 113.62 113.49 1fhs n SER 86 Ca 0.36 -2.24 0.00 0.00 -0.26 0.00 0.00 58.87 56.73 1fhs n SER 86 Cb 1.41 0.07 0.00 0.00 -0.26 0.00 0.00 64.21 65.43 1fhs n SER 86 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 175.04 175.29 1fhs n THR 87 N -0.82 0.00 0.00 6.66 -1.04 -0.44 -5.08 114.28 113.55 1fhs n THR 87 Ca -0.02 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.99 1fhs n THR 87 Cb 0.83 -0.32 0.00 0.00 -1.82 0.00 0.00 70.33 69.02 1fhs n THR 87 CO 0.00 0.00 0.00 -0.24 -0.64 0.00 0.00 175.07 174.19 1fhs n SER 88 N -2.03 0.00 -1.42 8.00 2.88 -1.14 -4.75 113.62 115.15 1fhs n SER 88 Ca 0.00 0.00 0.01 0.00 -1.33 0.00 0.00 58.87 57.55 1fhs n SER 88 Cb 0.19 0.00 0.22 0.00 -0.75 0.00 0.00 64.21 63.87 1fhs n SER 88 CO 0.00 0.00 0.00 1.33 -1.23 0.00 0.00 175.04 175.14 1fhs n VAL 89 N 0.69 1.80 0.00 2.46 0.24 -1.22 -4.77 118.33 117.53 1fhs n VAL 89 Ca 0.00 -0.90 0.00 0.00 -2.04 0.00 0.00 64.34 61.40 1fhs n VAL 89 Cb 0.00 -0.43 0.00 0.00 -1.47 0.00 0.00 33.84 31.94 1fhs n VAL 89 CO 0.00 0.00 0.00 -0.24 -2.14 0.00 0.00 176.83 174.45 1fhs n SER 90 N 0.21 0.00 0.17 -1.34 2.88 -1.26 -5.02 113.62 109.25 1fhs n SER 90 Ca 0.20 0.00 0.02 0.00 -1.33 0.00 0.00 58.87 57.77 1fhs n SER 90 Cb 0.90 0.00 0.37 0.00 -0.75 0.00 0.00 64.21 64.73 1fhs n SER 90 CO 0.00 0.00 0.00 0.03 -1.23 0.00 0.00 175.04 173.84 1fhs h ARG 91 N 0.00 0.08 -0.82 -1.46 3.08 -1.95 -2.75 114.38 110.56 1fhs h ARG 91 Ca 0.00 -0.03 0.24 0.00 0.07 0.00 0.00 59.98 60.26 1fhs h ARG 91 Cb 0.00 -0.01 -0.03 0.00 0.08 0.00 0.00 29.97 30.01 1fhs h ARG 91 CO 0.00 0.38 0.64 -2.95 -1.07 0.00 0.00 179.97 176.96 1fhs h ASN 92 N 0.07 0.00 -3.68 7.04 7.08 -2.01 -3.41 115.58 120.66 1fhs h ASN 92 Ca 0.01 0.00 0.10 0.00 -3.08 0.00 0.00 56.30 53.33 1fhs h ASN 92 Cb 0.57 0.00 -0.25 0.00 -2.08 0.00 0.00 38.32 36.56 1fhs h ASN 92 CO 0.04 0.00 0.58 0.00 -2.08 0.00 0.00 177.43 175.97 1fhs s GLN 93 N -4.89 0.49 -0.07 4.14 -2.07 -1.04 -5.12 119.66 111.12 1fhs s GLN 93 Ca -0.05 0.24 -0.30 0.00 -1.82 0.00 0.00 55.36 53.44 1fhs s GLN 93 Cb 0.20 0.23 -0.04 0.00 -1.09 0.00 0.00 33.01 32.31 1fhs s GLN 93 CO 0.72 -0.13 1.48 1.14 -1.32 0.00 0.00 175.29 177.18 1fhs s GLN 94 N -0.70 4.22 -0.18 9.60 0.00 -1.26 -4.43 119.66 126.91 1fhs s GLN 94 Ca 0.01 1.99 0.01 0.00 -0.00 0.00 0.00 55.36 57.37 1fhs s GLN 94 Cb -0.02 -3.80 0.03 0.00 0.00 0.00 0.00 33.01 29.22 1fhs s GLN 94 CO -0.02 -0.73 -0.15 0.42 0.00 0.00 0.00 175.29 174.81 1fhs s ILE 95 N 3.40 1.83 0.06 3.63 1.01 -1.26 -4.99 121.20 124.88 1fhs s ILE 95 Ca 0.66 -0.95 -0.13 0.00 0.00 0.00 0.00 60.65 60.23 1fhs s ILE 95 Cb -0.30 -1.76 -0.06 0.00 0.01 0.00 0.00 42.46 40.35 1fhs s ILE 95 CO 0.25 0.36 0.44 -0.36 0.00 0.00 0.00 174.94 175.64 1fhs s PHE 96 N 1.35 3.67 -0.54 3.97 0.40 -1.26 -3.44 117.98 122.12 1fhs s PHE 96 Ca 0.02 0.97 -0.22 0.00 -0.60 0.00 0.00 56.93 57.10 1fhs s PHE 96 Cb -0.14 -2.28 0.05 0.00 0.51 0.00 0.00 43.02 41.16 1fhs s PHE 96 CO -0.10 0.56 0.80 -0.51 0.70 0.00 0.00 175.22 176.67 1fhs s LEU 97 N -1.50 4.51 0.00 -0.37 1.43 -1.26 -4.27 118.68 117.21 1fhs s LEU 97 Ca 0.30 -0.65 0.00 0.00 -1.03 0.00 0.00 54.13 52.75 1fhs s LEU 97 Cb -0.16 -2.63 0.00 0.00 0.03 0.00 0.00 46.19 43.43 1fhs s LEU 97 CO 0.16 -1.10 0.00 -1.14 0.23 0.00 0.00 176.35 174.51 1fhs n ARG 98 N 6.91 0.00 -2.92 1.70 0.63 -1.15 -4.90 116.66 116.93 1fhs n ARG 98 Ca -0.02 0.00 -0.10 0.00 -0.92 0.00 0.00 57.85 56.81 1fhs n ARG 98 Cb 0.46 0.00 -0.03 0.00 0.45 0.00 0.00 32.46 33.35 1fhs n ARG 98 CO 0.00 0.00 0.00 -3.47 -2.51 0.00 0.00 177.63 171.65 1fhs n ASP 99 N 0.00 0.14 0.00 6.15 2.03 -1.26 -2.91 116.55 120.70 1fhs n ASP 99 Ca 0.00 -0.37 0.00 0.00 0.52 0.00 0.00 54.79 54.94 1fhs n ASP 99 Cb 0.00 -0.46 0.00 0.00 -0.72 0.00 0.00 41.12 39.94 1fhs n ASP 99 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1fhs n ILE 100 N -1.95 0.00 -2.94 5.18 3.06 -1.26 -3.37 119.36 118.08 1fhs n ILE 100 Ca -0.07 0.00 -0.44 0.00 -2.50 0.00 0.00 62.75 59.74 1fhs n ILE 100 Cb 0.19 0.00 -0.03 0.00 0.54 0.00 0.00 39.64 40.34 1fhs n ILE 100 CO 0.00 0.00 0.00 -1.61 -2.50 0.00 0.00 176.55 172.44 1fhs s GLU 101 N 2.96 3.35 0.11 9.51 0.41 -1.26 -4.96 118.70 128.83 1fhs s GLU 101 Ca 0.00 -1.40 -0.11 0.00 -0.41 0.00 0.00 54.97 53.06 1fhs s GLU 101 Cb 0.00 -4.58 0.01 0.00 -1.78 0.00 0.00 34.13 27.78 1fhs s GLU 101 CO 0.00 -1.75 0.26 -1.14 -0.49 0.00 0.00 175.26 172.14 1fhs s GLN 102 N 3.11 0.96 0.29 1.61 0.74 -1.26 -4.98 119.66 120.13 1fhs s GLN 102 Ca 0.26 -0.94 0.00 0.00 0.05 0.00 0.00 55.36 54.73 1fhs s GLN 102 Cb -0.12 0.38 0.00 0.00 1.10 0.00 0.00 33.01 34.37 1fhs s GLN 102 CO -0.01 -0.33 0.00 0.28 -0.55 0.00 0.00 175.29 174.68 1fhs n VAL 103 N -0.13 -1.34 0.00 1.34 0.31 -1.26 -4.90 118.33 112.35 1fhs n VAL 103 Ca -0.14 0.69 0.00 0.00 -0.01 0.00 0.00 64.34 64.89 1fhs n VAL 103 Cb 0.63 -1.15 0.00 0.00 -0.91 0.00 0.00 33.84 32.41 1fhs n VAL 103 CO 0.00 0.00 0.00 -2.65 -1.32 0.00 0.00 176.83 172.86 1fhs n PRO 104 N -2.17 0.00 -3.65 5.55 -0.02 -1.26 -5.01 135.00 128.45 1fhs n PRO 104 Ca -0.01 0.00 -0.03 0.00 -2.02 0.00 0.00 63.50 61.44 1fhs n PRO 104 Cb 0.25 0.00 -0.07 0.00 -0.02 0.00 0.00 33.50 33.66 1fhs n PRO 104 CO 0.00 0.00 0.00 1.14 1.98 0.00 0.00 175.50 178.62 1fhs s GLN 105 N 0.00 0.17 -0.01 -0.52 -2.07 -1.26 -5.07 119.66 110.90 1fhs s GLN 105 Ca 0.00 0.22 -0.09 0.00 -1.82 0.00 0.00 55.36 53.67 1fhs s GLN 105 Cb 0.00 0.07 -0.05 0.00 -1.09 0.00 0.00 33.01 31.95 1fhs s GLN 105 CO 0.00 -0.02 0.63 1.96 -1.32 0.00 0.00 175.29 176.54 1fhs h GLN 106 N 3.86 -0.31 -6.38 9.60 4.20 -2.00 -3.44 115.11 120.65 1fhs h GLN 106 Ca -0.27 0.02 -0.59 0.00 0.06 0.00 0.00 58.65 57.87 1fhs h GLN 106 Cb 1.19 0.07 0.03 0.00 0.30 0.00 0.00 27.48 29.07 1fhs h GLN 106 CO 0.17 -0.20 1.01 -0.35 -0.67 0.00 0.00 178.83 178.79 1fhs n PRO 107 N -3.49 2.28 0.00 1.46 -0.04 -1.26 -3.31 135.00 130.63 1fhs n PRO 107 Ca -0.04 0.83 0.00 0.00 -0.04 0.00 0.00 63.50 64.25 1fhs n PRO 107 Cb 0.13 -2.66 0.00 0.00 -0.04 0.00 0.00 33.50 30.92 1fhs n PRO 107 CO 0.00 0.00 0.00 2.41 -0.04 0.00 0.00 175.50 177.87 1fhs n THR 108 N 4.57 0.00 -1.67 0.52 -1.04 -1.26 -5.10 114.28 110.29 1fhs n THR 108 Ca 0.20 0.00 -0.44 0.00 -2.04 0.00 0.00 64.05 61.77 1fhs n THR 108 Cb 0.31 0.00 -0.03 0.00 -1.82 0.00 0.00 70.33 68.78 1fhs n THR 108 CO 0.00 0.00 0.00 -1.22 -0.64 0.00 0.00 175.07 173.21 1fhs n TYR 109 N 0.00 2.48 -3.77 -1.42 4.01 -1.21 -4.94 117.16 112.32 1fhs n TYR 109 Ca 0.00 -0.25 -0.17 0.00 -0.16 0.00 0.00 57.90 57.32 1fhs n TYR 109 Cb 0.00 -2.76 -0.17 0.00 -0.31 0.00 0.00 39.34 36.11 1fhs n TYR 109 CO 0.00 0.00 0.00 0.54 -0.46 0.00 0.00 176.86 176.94 1fhs s VAL 110 N 4.09 -0.03 -0.12 -0.72 0.11 -1.26 -5.12 120.40 117.35 1fhs s VAL 110 Ca 0.89 0.25 0.01 0.00 -2.93 0.00 0.00 61.98 60.20 1fhs s VAL 110 Cb -0.51 -0.14 0.02 0.00 -1.53 0.00 0.00 36.38 34.22 1fhs s VAL 110 CO 0.44 0.13 -0.12 -1.10 -3.33 0.00 0.00 175.10 171.11 1fhs s GLN 111 N 1.39 2.00 0.00 1.54 1.11 -1.26 -5.32 119.66 119.11 1fhs s GLN 111 Ca -0.05 -0.46 0.00 0.00 0.01 0.00 0.00 55.36 54.86 1fhs s GLN 111 Cb -0.13 -1.83 0.00 0.00 -1.01 0.00 0.00 33.01 30.04 1fhs s GLN 111 CO -0.03 -0.18 0.00 0.00 0.01 0.00 0.00 175.29 175.10