#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1fhs n ILE 2 N 0.00 0.00 -0.38 -0.61 -0.00 -1.26 -5.11 119.36 112.01 1fhs n ILE 2 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 62.75 62.75 1fhs n ILE 2 Cb 0.00 -0.21 0.00 0.00 -0.00 0.00 0.00 39.64 39.43 1fhs n ILE 2 CO 0.00 0.00 0.00 -0.62 -0.00 0.00 0.00 176.55 175.93 1fhs n GLU 3 N -0.46 -0.64 -1.23 0.38 -0.58 -1.26 -4.76 120.64 112.09 1fhs n GLU 3 Ca 0.00 0.00 -0.49 0.00 -0.42 0.00 0.00 57.16 56.25 1fhs n GLU 3 Cb 0.00 0.00 -0.07 0.00 -0.57 0.00 0.00 31.44 30.80 1fhs n GLU 3 CO 0.00 0.00 0.00 -0.12 -0.48 0.00 0.00 177.13 176.53 1fhs n MET 4 N -1.22 0.00 0.00 3.49 1.56 -1.26 -4.90 117.12 114.78 1fhs n MET 4 Ca 0.00 0.00 0.00 0.00 -0.27 0.00 0.00 57.70 57.43 1fhs n MET 4 Cb 0.00 -1.08 0.00 0.00 2.15 0.00 0.00 33.22 34.29 1fhs n MET 4 CO 0.00 0.00 0.00 0.36 -0.73 0.00 0.00 175.97 175.60 1fhs n LYS 5 N 3.15 -0.26 -1.70 2.12 2.85 -1.26 -4.63 118.16 118.43 1fhs n LYS 5 Ca 0.24 0.00 -0.61 0.00 -1.05 0.00 0.00 58.31 56.89 1fhs n LYS 5 Cb -0.04 0.00 -0.08 0.00 -0.65 0.00 0.00 35.03 34.25 1fhs n LYS 5 CO 0.00 0.00 0.00 -2.30 -0.05 0.00 0.00 177.40 175.05 1fhs n PRO 6 N -1.01 0.67 -0.24 -1.58 -0.02 -1.26 -4.81 135.00 126.76 1fhs n PRO 6 Ca 0.00 0.24 0.04 0.00 -2.02 0.00 0.00 63.50 61.77 1fhs n PRO 6 Cb 0.00 -1.87 0.16 0.00 -0.02 0.00 0.00 33.50 31.77 1fhs n PRO 6 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 1fhs h HIS 7 N 6.69 0.25 0.00 6.00 3.86 -2.00 -3.39 115.15 126.56 1fhs h HIS 7 Ca -0.43 0.04 0.00 0.00 -1.16 0.00 0.00 60.37 58.82 1fhs h HIS 7 Cb 1.34 -0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.81 1fhs h HIS 7 CO 0.74 -0.07 0.00 -2.30 0.86 0.00 0.00 177.93 177.16 1fhs n PRO 8 N -5.15 0.00 -1.91 2.45 -0.02 -1.26 -4.94 135.00 124.17 1fhs n PRO 8 Ca 0.13 0.00 -0.03 0.00 -2.02 0.00 0.00 63.50 61.58 1fhs n PRO 8 Cb 0.42 0.00 0.05 0.00 -0.02 0.00 0.00 33.50 33.95 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 -1.07 -3.73 6.00 -0.00 -1.26 -5.05 117.44 112.32 1fhs n TRP 9 Ca 0.00 -1.00 -0.36 0.00 -0.00 0.00 0.00 57.50 56.14 1fhs n TRP 9 Cb 0.00 1.04 -0.10 0.00 -0.00 0.00 0.00 31.31 32.25 1fhs n TRP 9 CO 0.00 0.00 0.00 0.12 -0.00 0.00 0.00 177.69 177.81 1fhs s PHE 10 N 0.07 3.28 -0.22 -2.67 2.19 -1.26 -1.77 117.98 117.60 1fhs s PHE 10 Ca 0.05 0.13 0.02 0.00 0.33 0.00 0.00 56.93 57.45 1fhs s PHE 10 Cb 0.23 -2.23 0.04 0.00 -1.31 0.00 0.00 43.02 39.75 1fhs s PHE 10 CO -0.07 0.03 -0.14 -0.06 1.83 0.00 0.00 175.22 176.82 1fhs s PHE 11 N 1.00 2.91 -0.08 10.12 0.40 -1.04 -4.88 117.98 126.41 1fhs s PHE 11 Ca 0.07 -1.92 -0.30 0.00 -0.60 0.00 0.00 56.93 54.17 1fhs s PHE 11 Cb -0.13 -1.86 -0.03 0.00 0.51 0.00 0.00 43.02 41.50 1fhs s PHE 11 CO 0.04 -0.83 1.19 0.20 0.70 0.00 0.00 175.22 176.52 1fhs s GLY 12 N 1.23 2.06 -1.05 4.36 0.00 -1.26 -2.88 107.32 109.79 1fhs s GLY 12 Ca -0.02 0.57 -0.07 0.00 0.00 0.00 0.00 44.72 45.20 1fhs s GLY 12 CO -0.09 2.22 0.17 0.28 0.00 0.00 0.00 173.10 175.68 1fhs n LYS 13 N 5.37 -0.90 -2.44 2.90 5.02 -1.09 -4.79 118.16 122.23 1fhs n LYS 13 Ca 0.11 0.07 -0.42 0.00 -2.02 0.00 0.00 58.31 56.05 1fhs n LYS 13 Cb 0.46 -2.52 -0.03 0.00 -0.02 0.00 0.00 35.03 32.92 1fhs n LYS 13 CO 0.00 0.00 0.00 -1.50 -0.52 0.00 0.00 177.40 175.38 1fhs s ILE 14 N -3.18 4.02 -0.29 -0.18 1.10 -1.25 -4.85 121.20 116.57 1fhs s ILE 14 Ca 0.24 1.49 -0.41 0.00 -0.51 0.00 0.00 60.65 61.45 1fhs s ILE 14 Cb -0.14 -3.95 -0.17 0.00 0.15 0.00 0.00 42.46 38.35 1fhs s ILE 14 CO 0.62 0.14 1.66 -2.65 -2.11 0.00 0.00 174.94 172.60 1fhs n PRO 15 N 3.70 0.87 -0.32 3.50 -0.02 -1.26 -4.68 135.00 136.78 1fhs n PRO 15 Ca 0.08 0.32 0.28 0.00 -2.02 0.00 0.00 63.50 62.16 1fhs n PRO 15 Cb 0.46 -1.95 0.53 0.00 -0.02 0.00 0.00 33.50 32.52 1fhs n PRO 15 CO 0.00 0.00 0.00 -0.09 1.98 0.00 0.00 175.50 177.39 1fhs h ARG 16 N 6.38 0.04 0.13 -0.52 2.43 -2.00 0.32 114.38 121.16 1fhs h ARG 16 Ca -0.46 -0.00 -0.01 0.00 -0.81 0.00 0.00 59.98 58.70 1fhs h ARG 16 Cb 1.33 -0.01 0.00 0.00 -0.42 0.00 0.00 29.97 30.88 1fhs h ARG 16 CO 0.94 0.02 -0.06 0.00 -1.51 0.00 0.00 179.97 179.36 1fhs h ALA 17 N 1.98 -0.97 -0.93 2.80 0.00 -2.00 -1.93 119.26 118.21 1fhs h ALA 17 Ca 0.80 -0.04 0.24 0.00 0.00 0.00 0.00 54.91 55.92 1fhs h ALA 17 Cb 2.03 0.07 -0.17 0.00 0.00 0.00 0.00 17.79 19.71 1fhs h ALA 17 CO -0.78 -0.96 -0.02 1.17 0.00 0.00 0.00 179.25 178.67 1fhs n LYS 18 N -2.49 -0.08 0.03 0.00 3.00 0.71 0.55 118.16 119.89 1fhs n LYS 18 Ca -0.02 1.39 -0.07 0.00 -0.00 0.00 0.00 58.31 59.62 1fhs n LYS 18 Cb 0.07 -2.20 -0.04 0.00 0.00 0.00 0.00 35.03 32.86 1fhs n LYS 18 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1fhs h ALA 19 N 1.85 -0.70 -0.95 3.14 0.00 -0.45 0.20 119.26 122.34 1fhs h ALA 19 Ca 0.54 -0.04 0.29 0.00 0.00 0.00 0.00 54.91 55.70 1fhs h ALA 19 Cb 1.09 0.66 -0.16 0.00 0.00 0.00 0.00 17.79 19.38 1fhs h ALA 19 CO -0.88 -0.76 0.25 0.93 0.00 0.00 0.00 179.25 178.78 1fhs h GLU 20 N -0.29 0.11 0.00 0.00 5.08 0.92 0.59 114.58 121.00 1fhs h GLU 20 Ca 0.00 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1fhs h GLU 20 Cb 0.30 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.53 1fhs h GLU 20 CO -0.13 0.07 0.00 0.39 -1.00 0.00 0.00 179.01 178.34 1fhs n GLU 21 N -5.31 0.00 -0.35 2.33 1.02 0.47 0.17 120.64 118.97 1fhs n GLU 21 Ca 0.26 0.00 0.27 0.00 -0.02 0.00 0.00 57.16 57.67 1fhs n GLU 21 Cb 0.85 -0.77 0.56 0.00 -0.02 0.00 0.00 31.44 32.06 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 0.28 -0.11 3.49 -0.00 -0.61 1.24 114.93 119.22 1fhs h MET 22 Ca 0.00 -0.02 -0.09 0.00 -0.00 0.00 0.00 59.70 59.59 1fhs h MET 22 Cb 0.00 -0.06 -0.01 0.00 -0.00 0.00 0.00 31.60 31.52 1fhs h MET 22 CO 0.00 0.19 -0.35 1.25 -0.00 0.00 0.00 176.91 178.00 1fhs h LEU 23 N 0.29 0.23 -0.36 -0.10 5.85 0.17 -2.56 115.31 118.84 1fhs h LEU 23 Ca 0.65 -0.09 -0.19 0.00 0.84 0.00 0.00 57.88 59.09 1fhs h LEU 23 Cb 1.82 -0.06 -0.01 0.00 0.37 0.00 0.00 40.66 42.78 1fhs h LEU 23 CO -0.31 0.57 -0.79 -1.28 -0.34 0.00 0.00 178.44 176.29 1fhs h SER 24 N 0.20 0.39 0.00 1.25 0.87 0.57 -3.21 113.55 113.63 1fhs h SER 24 Ca 0.02 -0.28 -0.07 0.00 -1.23 0.00 0.00 61.79 60.24 1fhs h SER 24 Cb 0.72 -0.12 -0.02 0.00 -0.44 0.00 0.00 62.40 62.53 1fhs h SER 24 CO 0.05 1.04 -0.11 0.29 -0.53 0.00 0.00 176.83 177.57 1fhs n LYS 25 N -3.77 1.24 0.00 2.24 5.02 0.04 -3.70 118.16 119.22 1fhs n LYS 25 Ca -0.04 -0.35 0.03 0.00 -2.02 0.00 0.00 58.31 55.93 1fhs n LYS 25 Cb 0.75 -1.40 0.00 0.00 -0.02 0.00 0.00 35.03 34.36 1fhs n LYS 25 CO 0.00 0.00 0.00 1.04 -0.52 0.00 0.00 177.40 177.92 1fhs n GLN 26 N 1.94 2.10 -3.46 1.97 1.13 -1.21 -4.98 117.38 114.86 1fhs n GLN 26 Ca 0.15 -0.52 -0.27 0.00 -1.94 0.00 0.00 57.00 54.42 1fhs n GLN 26 Cb 0.59 -0.98 -0.05 0.00 0.11 0.00 0.00 30.24 29.91 1fhs n GLN 26 CO 0.00 0.00 0.00 -2.13 -1.44 0.00 0.00 177.06 173.49 1fhs n ARG 27 N -0.27 -1.00 -3.18 -1.09 3.00 -1.24 -4.80 116.66 108.08 1fhs n ARG 27 Ca 0.03 0.09 0.02 0.00 -0.00 0.00 0.00 57.85 57.98 1fhs n ARG 27 Cb 0.14 -3.36 -0.02 0.00 0.00 0.00 0.00 32.46 29.22 1fhs n ARG 27 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.63 176.05 1fhs s HIS 28 N -2.46 -1.53 -0.14 -0.14 2.46 -1.26 -5.11 115.29 107.12 1fhs s HIS 28 Ca 0.53 1.40 -0.29 0.00 0.47 0.00 0.00 55.06 57.17 1fhs s HIS 28 Cb -0.31 0.41 -0.06 0.00 -0.13 0.00 0.00 32.58 32.49 1fhs s HIS 28 CO 0.64 -0.91 1.98 0.16 -2.47 0.00 0.00 174.74 174.15 1fhs s ASP 29 N 2.80 6.02 0.00 9.88 -4.77 -1.26 -2.19 116.67 127.14 1fhs s ASP 29 Ca 0.17 2.08 0.00 0.00 -3.30 0.00 0.00 52.55 51.50 1fhs s ASP 29 Cb -0.14 -2.52 0.00 0.00 -1.09 0.00 0.00 42.92 39.17 1fhs s ASP 29 CO -0.22 -1.48 0.00 0.61 0.70 0.00 0.00 175.17 174.78 1fhs n GLY 30 N 5.08 1.98 3.56 2.12 0.00 -0.90 -4.48 105.19 112.55 1fhs n GLY 30 Ca 0.24 -0.16 -0.60 0.00 0.00 0.00 0.00 46.02 45.49 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 -2.90 -3.08 4.61 0.00 -0.93 -2.79 120.51 115.42 1fhs n ALA 31 Ca 0.00 0.57 -0.16 0.00 0.00 0.00 0.00 53.44 53.84 1fhs n ALA 31 Cb 0.00 -1.83 -0.15 0.00 0.00 0.00 0.00 19.45 17.47 1fhs n ALA 31 CO 0.00 0.00 0.00 0.12 0.00 0.00 0.00 177.50 177.62 1fhs s PHE 32 N 0.70 0.45 0.07 0.00 5.36 -1.14 -0.89 117.98 122.52 1fhs s PHE 32 Ca 0.93 -0.08 0.06 0.00 -0.96 0.00 0.00 56.93 56.88 1fhs s PHE 32 Cb -1.28 -0.35 -0.03 0.00 -0.34 0.00 0.00 43.02 41.02 1fhs s PHE 32 CO 0.61 -0.06 -0.17 -0.48 -1.46 0.00 0.00 175.22 173.66 1fhs s LEU 33 N 0.26 2.24 -0.41 6.12 0.05 -1.13 -4.80 118.68 121.00 1fhs s LEU 33 Ca -0.03 -0.57 -0.08 0.00 0.05 0.00 0.00 54.13 53.50 1fhs s LEU 33 Cb -0.06 -0.71 0.08 0.00 -2.05 0.00 0.00 46.19 43.45 1fhs s LEU 33 CO -0.00 0.03 0.24 -0.51 -0.55 0.00 0.00 176.35 175.56 1fhs s ILE 34 N -1.05 4.08 -0.10 1.48 2.07 -0.73 -1.80 121.20 125.15 1fhs s ILE 34 Ca 0.03 -1.47 -0.25 0.00 -1.41 0.00 0.00 60.65 57.54 1fhs s ILE 34 Cb -0.09 -3.52 -0.03 0.00 0.13 0.00 0.00 42.46 38.95 1fhs s ILE 34 CO 0.02 -0.51 0.81 0.00 -1.91 0.00 0.00 174.94 173.35 1fhs s ARG 35 N 1.39 4.40 -0.10 3.50 3.03 -1.06 -2.50 118.95 127.61 1fhs s ARG 35 Ca 0.03 1.04 -0.20 0.00 2.03 0.00 0.00 55.73 58.64 1fhs s ARG 35 Cb -0.23 -3.50 -0.04 0.00 -1.03 0.00 0.00 34.95 30.15 1fhs s ARG 35 CO 0.01 -0.13 0.54 -2.00 -1.13 0.00 0.00 175.30 172.59 1fhs s GLU 36 N 1.42 4.36 -0.39 3.89 2.12 -1.14 -2.85 118.70 126.10 1fhs s GLU 36 Ca 0.41 0.57 -0.45 0.00 0.36 0.00 0.00 54.97 55.86 1fhs s GLU 36 Cb -0.18 -3.43 -0.20 0.00 0.26 0.00 0.00 34.13 30.58 1fhs s GLU 36 CO 0.18 0.15 1.48 -1.13 -0.54 0.00 0.00 175.26 175.40 1fhs n SER 37 N 3.62 0.95 -0.08 -1.70 3.41 -0.61 -2.66 113.62 116.55 1fhs n SER 37 Ca -0.06 1.18 -0.08 0.00 -0.26 0.00 0.00 58.87 59.65 1fhs n SER 37 Cb 0.52 -0.89 -0.02 0.00 -0.26 0.00 0.00 64.21 63.56 1fhs n SER 37 CO 0.00 0.00 0.00 -0.08 -0.16 0.00 0.00 175.04 174.80 1fhs h GLU 38 N 4.57 -0.28 0.00 4.33 4.81 -1.91 -3.40 114.58 122.70 1fhs h GLU 38 Ca -0.45 0.02 0.00 0.00 -0.13 0.00 0.00 59.36 58.80 1fhs h GLU 38 Cb 1.38 0.06 0.00 0.00 0.63 0.00 0.00 28.75 30.82 1fhs h GLU 38 CO 0.91 -0.19 0.00 -1.13 -0.73 0.00 0.00 179.01 177.87 1fhs n SER 39 N -5.41 0.00 -4.66 1.04 3.41 -1.26 -4.92 113.62 101.82 1fhs n SER 39 Ca -0.00 0.00 -0.43 0.00 -0.26 0.00 0.00 58.87 58.17 1fhs n SER 39 Cb 0.33 0.00 -0.01 0.00 -0.26 0.00 0.00 64.21 64.27 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 -3.00 0.78 -1.00 7.33 0.00 -1.26 -4.99 120.51 118.37 1fhs n ALA 40 Ca 0.00 0.37 0.00 0.00 0.00 0.00 0.00 53.44 53.81 1fhs n ALA 40 Cb 0.00 -2.18 0.00 0.00 0.00 0.00 0.00 19.45 17.27 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 0.70 3.26 0.00 0.00 -0.04 -1.26 -4.33 135.00 133.34 1fhs n PRO 41 Ca 0.07 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.53 1fhs n PRO 41 Cb 0.34 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.80 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 4.36 0.56 3.12 0.55 0.00 -1.26 -4.85 105.19 107.68 1fhs n GLY 42 Ca 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.76 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 -1.21 2.06 0.00 1.61 1.01 -1.26 -3.96 116.67 114.92 1fhs s ASP 43 Ca 0.00 -0.34 0.00 0.00 0.71 0.00 0.00 52.55 52.92 1fhs s ASP 43 Cb 0.00 -0.59 0.00 0.00 1.01 0.00 0.00 42.92 43.34 1fhs s ASP 43 CO 0.00 0.14 0.00 0.49 0.21 0.00 0.00 175.17 176.01 1fhs n PHE 44 N 3.18 0.00 -3.64 4.23 3.01 -1.01 -1.58 117.46 121.65 1fhs n PHE 44 Ca -0.18 0.00 -0.07 0.00 1.01 0.00 0.00 57.45 58.21 1fhs n PHE 44 Cb 0.53 0.00 -0.07 0.00 -0.01 0.00 0.00 39.48 39.93 1fhs n PHE 44 CO 0.00 0.00 0.00 -1.54 1.01 0.00 0.00 176.76 176.23 1fhs s SER 45 N -0.96 -0.39 -0.36 4.37 1.04 -1.13 -1.36 113.70 114.90 1fhs s SER 45 Ca 0.00 0.73 -0.15 0.00 0.48 0.00 0.00 55.95 57.01 1fhs s SER 45 Cb 0.00 0.83 -0.00 0.00 0.10 0.00 0.00 66.02 66.95 1fhs s SER 45 CO 0.00 -0.12 0.33 -0.22 0.98 0.00 0.00 173.24 174.21 1fhs s LEU 46 N 0.43 4.61 -0.11 2.42 0.20 0.78 -2.56 118.68 124.44 1fhs s LEU 46 Ca 0.01 -0.43 -0.14 0.00 0.69 0.00 0.00 54.13 54.26 1fhs s LEU 46 Cb -0.05 -2.27 -0.05 0.00 -0.43 0.00 0.00 46.19 43.40 1fhs s LEU 46 CO -0.09 -0.36 0.33 -0.94 -0.29 0.00 0.00 176.35 175.00 1fhs s SER 47 N 1.73 6.56 0.04 3.68 1.04 -0.75 -1.39 113.70 124.61 1fhs s SER 47 Ca 0.09 0.66 0.02 0.00 0.48 0.00 0.00 55.95 57.21 1fhs s SER 47 Cb -0.17 -2.20 -0.02 0.00 0.10 0.00 0.00 66.02 63.73 1fhs s SER 47 CO 0.11 0.17 -0.08 -0.69 0.98 0.00 0.00 173.24 173.73 1fhs s VAL 48 N -0.04 0.59 -0.69 5.02 1.01 -0.38 -2.82 120.40 123.10 1fhs s VAL 48 Ca 0.19 -0.93 -0.25 0.00 0.00 0.00 0.00 61.98 60.99 1fhs s VAL 48 Cb -0.14 -0.62 0.05 0.00 0.00 0.00 0.00 36.38 35.67 1fhs s VAL 48 CO 0.07 -0.26 1.12 -0.75 0.00 0.00 0.00 175.10 175.28 1fhs s LYS 49 N -1.30 3.18 -0.32 2.72 2.20 -0.07 -1.20 119.74 124.95 1fhs s LYS 49 Ca -0.07 -0.46 0.03 0.00 -0.36 0.00 0.00 55.97 55.11 1fhs s LYS 49 Cb -0.08 -4.18 0.09 0.00 -1.51 0.00 0.00 37.83 32.14 1fhs s LYS 49 CO 0.00 -1.94 0.01 0.12 -0.36 0.00 0.00 175.35 173.18 1fhs s PHE 50 N 4.89 3.61 0.08 4.03 5.36 -0.95 -2.12 117.98 132.87 1fhs s PHE 50 Ca 0.30 -2.75 -0.09 0.00 -0.96 0.00 0.00 56.93 53.43 1fhs s PHE 50 Cb -0.12 -2.64 -0.05 0.00 -0.34 0.00 0.00 43.02 39.86 1fhs s PHE 50 CO 0.14 -0.93 0.14 0.41 -1.46 0.00 0.00 175.22 173.52 1fhs n GLY 51 N 4.33 -0.64 0.00 13.12 0.00 -1.26 -1.50 105.19 119.24 1fhs n GLY 51 Ca -0.02 0.09 0.00 0.00 0.00 0.00 0.00 46.02 46.09 1fhs n GLY 51 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1fhs n ASN 52 N 0.68 0.00 -1.94 1.61 3.02 -1.26 -4.97 115.26 112.40 1fhs n ASN 52 Ca 0.05 0.00 0.01 0.00 -0.03 0.00 0.00 54.58 54.62 1fhs n ASN 52 Cb 0.09 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.27 1fhs n ASN 52 CO 0.00 0.00 0.00 -0.67 -2.62 0.00 0.00 177.26 173.97 1fhs n ASP 53 N 1.75 -0.37 -4.62 6.41 2.03 -0.56 -5.12 116.55 116.07 1fhs n ASP 53 Ca 0.00 -1.06 -0.41 0.00 0.52 0.00 0.00 54.79 53.84 1fhs n ASP 53 Cb 0.00 0.57 -0.06 0.00 -0.72 0.00 0.00 41.12 40.91 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 -2.08 4.95 0.38 5.18 1.01 -1.26 -2.25 120.40 126.33 1fhs s VAL 54 Ca 0.10 1.16 -0.02 0.00 0.00 0.00 0.00 61.98 63.23 1fhs s VAL 54 Cb -0.00 -3.98 -0.04 0.00 0.00 0.00 0.00 36.38 32.36 1fhs s VAL 54 CO -0.00 -0.02 0.62 -1.58 0.00 0.00 0.00 175.10 174.11 1fhs s GLN 55 N 2.59 3.52 -0.11 2.72 0.74 -0.34 -4.91 119.66 123.86 1fhs s GLN 55 Ca 0.28 -0.15 -0.08 0.00 0.05 0.00 0.00 55.36 55.46 1fhs s GLN 55 Cb -0.15 -2.58 0.04 0.00 1.10 0.00 0.00 33.01 31.42 1fhs s GLN 55 CO 0.09 0.05 0.28 -3.38 -0.55 0.00 0.00 175.29 171.78 1fhs s HIS 56 N -2.42 -0.35 -0.22 1.67 -3.43 -1.26 -1.25 115.29 108.04 1fhs s HIS 56 Ca 0.42 0.82 0.00 0.00 -0.80 0.00 0.00 55.06 55.50 1fhs s HIS 56 Cb -0.10 0.10 0.06 0.00 -1.43 0.00 0.00 32.58 31.21 1fhs s HIS 56 CO 0.38 -0.20 -0.05 -0.06 -2.00 0.00 0.00 174.74 172.81 1fhs s PHE 57 N 0.74 2.11 0.04 0.38 0.08 -0.49 -4.93 117.98 115.92 1fhs s PHE 57 Ca -0.05 -1.52 -0.32 0.00 0.12 0.00 0.00 56.93 55.17 1fhs s PHE 57 Cb -0.06 -1.47 -0.10 0.00 -0.57 0.00 0.00 43.02 40.81 1fhs s PHE 57 CO -0.05 -0.73 1.89 1.63 -0.10 0.00 0.00 175.22 177.87 1fhs n LYS 58 N 4.75 2.66 -3.11 0.44 5.02 -1.26 -0.15 118.16 126.50 1fhs n LYS 58 Ca -0.12 0.97 -0.45 0.00 -2.02 0.00 0.00 58.31 56.69 1fhs n LYS 58 Cb 0.45 -2.88 -0.02 0.00 -0.02 0.00 0.00 35.03 32.57 1fhs n LYS 58 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1fhs s VAL 59 N 3.66 5.22 0.43 -0.18 1.01 -0.46 -4.52 120.40 125.56 1fhs s VAL 59 Ca 0.87 -2.24 -0.04 0.00 0.00 0.00 0.00 61.98 60.57 1fhs s VAL 59 Cb -0.52 -4.68 -0.04 0.00 0.00 0.00 0.00 36.38 31.15 1fhs s VAL 59 CO 0.43 -1.33 0.72 -0.76 0.00 0.00 0.00 175.10 174.15 1fhs s LEU 60 N 1.23 3.76 0.63 3.92 1.43 -0.96 -2.41 118.68 126.27 1fhs s LEU 60 Ca 0.29 0.82 -0.05 0.00 -1.03 0.00 0.00 54.13 54.15 1fhs s LEU 60 Cb -0.07 -3.74 0.03 0.00 0.03 0.00 0.00 46.19 42.45 1fhs s LEU 60 CO -0.08 -0.48 0.93 -0.60 0.23 0.00 0.00 176.35 176.36 1fhs s ARG 61 N -4.51 2.55 -0.50 1.70 3.52 -1.25 0.25 118.95 120.70 1fhs s ARG 61 Ca 0.46 -0.21 0.03 0.00 -0.13 0.00 0.00 55.73 55.87 1fhs s ARG 61 Cb -0.10 -2.25 0.44 0.00 -1.56 0.00 0.00 34.95 31.47 1fhs s ARG 61 CO 0.41 -0.94 1.57 -3.47 -0.81 0.00 0.00 175.30 172.06 1fhs n ASP 62 N -2.70 6.17 -3.32 -2.12 2.03 0.90 -4.86 116.55 112.65 1fhs n ASP 62 Ca 0.06 -3.77 -0.19 0.00 0.52 0.00 0.00 54.79 51.41 1fhs n ASP 62 Cb 0.59 -0.66 -0.04 0.00 -0.72 0.00 0.00 41.12 40.29 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 -0.74 -0.42 0.59 0.27 0.00 -1.26 -4.35 105.19 99.27 1fhs n GLY 63 Ca 0.51 0.03 0.00 0.00 0.00 0.00 0.00 46.02 46.56 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 -3.06 1.16 0.00 4.61 0.00 -1.26 -5.05 120.51 116.91 1fhs n ALA 64 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.49 1fhs n ALA 64 Cb 0.45 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.90 1fhs n ALA 64 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1fhs n GLY 65 N 0.02 0.76 3.74 0.00 0.00 -1.26 -5.13 105.19 103.32 1fhs n GLY 65 Ca 0.00 -0.02 -0.41 0.00 0.00 0.00 0.00 46.02 45.60 1fhs n GLY 65 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1fhs s LYS 66 N 0.00 4.74 -0.05 1.61 -0.14 -1.26 -4.75 119.74 119.88 1fhs s LYS 66 Ca 0.00 1.51 -0.03 0.00 -1.36 0.00 0.00 55.97 56.08 1fhs s LYS 66 Cb 0.00 -3.33 -0.04 0.00 -1.68 0.00 0.00 37.83 32.78 1fhs s LYS 66 CO 0.00 0.29 0.12 0.71 -0.76 0.00 0.00 175.35 175.71 1fhs s TYR 67 N -0.44 3.45 0.00 3.18 1.51 0.19 -0.07 117.35 125.18 1fhs s TYR 67 Ca 0.45 0.36 0.00 0.00 -1.01 0.00 0.00 57.07 56.87 1fhs s TYR 67 Cb -0.25 -1.84 0.00 0.00 -0.11 0.00 0.00 41.96 39.76 1fhs s TYR 67 CO 0.31 0.63 0.00 1.97 -1.11 0.00 0.00 175.55 177.36 1fhs n PHE 68 N 1.48 -0.08 0.00 2.71 -1.74 0.14 -2.20 117.46 117.78 1fhs n PHE 68 Ca -0.15 0.00 0.00 0.00 -0.56 0.00 0.00 57.45 56.74 1fhs n PHE 68 Cb 0.54 0.00 0.00 0.00 1.52 0.00 0.00 39.48 41.54 1fhs n PHE 68 CO 0.00 0.00 0.00 1.28 -0.56 0.00 0.00 176.76 177.48 1fhs n LEU 69 N 0.00 0.32 -0.05 5.98 4.77 -1.26 -2.28 117.00 124.48 1fhs n LEU 69 Ca 0.00 0.00 -0.08 0.00 -0.03 0.00 0.00 56.01 55.90 1fhs n LEU 69 Cb 0.00 0.00 -0.05 0.00 -2.33 0.00 0.00 43.42 41.04 1fhs n LEU 69 CO 0.00 0.05 -0.84 0.79 -1.33 0.00 0.00 177.39 176.07 1fhs n TRP 70 N -1.44 0.00 0.00 -1.77 7.02 -1.26 -4.94 117.44 115.05 1fhs n TRP 70 Ca 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 57.50 56.48 1fhs n TRP 70 Cb 0.07 -0.39 0.00 0.00 -2.42 0.00 0.00 31.31 28.57 1fhs n TRP 70 CO 0.00 0.00 0.00 0.28 -2.02 0.00 0.00 177.69 175.95 1fhs n VAL 71 N -2.87 0.00 -3.64 -0.99 0.31 -1.26 -5.15 118.33 104.73 1fhs n VAL 71 Ca -0.18 0.00 -0.09 0.00 -0.01 0.00 0.00 64.34 64.06 1fhs n VAL 71 Cb 0.69 0.00 -0.07 0.00 -0.91 0.00 0.00 33.84 33.55 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 -0.03 0.00 0.00 2.52 -7.23 -1.26 -4.76 120.40 109.64 1fhs s VAL 72 Ca 0.00 0.00 0.00 0.00 -1.81 0.00 0.00 61.98 60.17 1fhs s VAL 72 Cb 0.00 -1.00 0.00 0.00 0.56 0.00 0.00 36.38 35.94 1fhs s VAL 72 CO 0.00 0.00 0.00 2.29 -0.31 0.00 0.00 175.10 177.08 1fhs n LYS 73 N 3.34 0.00 -4.26 4.82 2.85 -1.26 -5.04 118.16 118.60 1fhs n LYS 73 Ca -0.17 0.00 -0.30 0.00 -1.05 0.00 0.00 58.31 56.79 1fhs n LYS 73 Cb 0.57 0.00 -0.10 0.00 -0.65 0.00 0.00 35.03 34.85 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 -0.65 2.78 -0.28 5.58 0.08 -0.93 -5.00 117.98 119.55 1fhs s PHE 74 Ca 0.00 -0.13 0.15 0.00 0.12 0.00 0.00 56.93 57.07 1fhs s PHE 74 Cb 0.00 -1.47 0.72 0.00 -0.57 0.00 0.00 43.02 41.71 1fhs s PHE 74 CO 0.00 0.42 1.64 0.27 -0.10 0.00 0.00 175.22 177.45 1fhs n ASN 75 N 0.82 5.10 -3.65 1.36 0.23 -1.26 0.55 115.26 118.41 1fhs n ASN 75 Ca -0.13 -2.93 -0.02 0.00 -0.53 0.00 0.00 54.58 50.97 1fhs n ASN 75 Cb 0.52 -0.63 -0.06 0.00 -2.08 0.00 0.00 39.78 37.53 1fhs n ASN 75 CO 0.00 0.00 0.00 -0.55 -0.93 0.00 0.00 177.26 175.78 1fhs s SER 76 N -1.16 -0.03 0.29 0.53 0.15 -1.26 -4.80 113.70 107.42 1fhs s SER 76 Ca 0.50 0.04 0.00 0.00 0.70 0.00 0.00 55.95 57.20 1fhs s SER 76 Cb 0.39 0.04 0.69 0.00 -1.71 0.00 0.00 66.02 65.42 1fhs s SER 76 CO 0.14 -0.01 1.60 -0.07 1.20 0.00 0.00 173.24 176.10 1fhs h LEU 77 N 2.68 -0.31 -1.20 3.45 3.38 -1.92 1.22 115.31 122.61 1fhs h LEU 77 Ca -0.20 0.24 0.03 0.00 0.09 0.00 0.00 57.88 58.04 1fhs h LEU 77 Cb 1.19 0.39 -0.05 0.00 0.09 0.00 0.00 40.66 42.29 1fhs h LEU 77 CO 0.20 -0.27 0.55 0.78 0.09 0.00 0.00 178.44 179.79 1fhs h ASN 78 N 0.08 0.91 0.72 -0.43 4.21 -1.98 0.36 115.58 119.46 1fhs h ASN 78 Ca 0.55 -0.01 -0.07 0.00 1.21 0.00 0.00 56.30 57.98 1fhs h ASN 78 Cb 1.11 -0.22 -0.01 0.00 -1.12 0.00 0.00 38.32 38.09 1fhs h ASN 78 CO -0.79 0.64 -0.32 -0.08 -1.29 0.00 0.00 177.43 175.59 1fhs h GLU 79 N 1.06 0.00 0.02 0.81 4.81 0.11 1.00 114.58 122.39 1fhs h GLU 79 Ca 0.32 0.00 -0.00 0.00 -0.13 0.00 0.00 59.36 59.55 1fhs h GLU 79 Cb -0.02 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.36 1fhs h GLU 79 CO -0.09 0.32 -0.01 1.25 -0.73 0.00 0.00 179.01 179.75 1fhs h LEU 80 N 0.00 -0.03 -1.15 1.64 6.46 0.70 -2.19 115.31 120.74 1fhs h LEU 80 Ca -0.00 -0.33 -0.09 0.00 -0.12 0.00 0.00 57.88 57.34 1fhs h LEU 80 Cb 0.76 0.01 -0.01 0.00 -0.73 0.00 0.00 40.66 40.69 1fhs h LEU 80 CO 0.04 0.31 -0.39 0.58 -0.62 0.00 0.00 178.44 178.36 1fhs h VAL 81 N -0.37 1.29 -0.19 1.05 2.07 -0.58 -3.10 116.25 116.43 1fhs h VAL 81 Ca -0.00 -1.39 -0.10 0.00 0.82 0.00 0.00 66.70 66.03 1fhs h VAL 81 Cb 0.35 1.71 -0.00 0.00 -1.52 0.00 0.00 31.29 31.84 1fhs h VAL 81 CO 0.01 0.40 -0.26 0.44 0.02 0.00 0.00 177.57 178.17 1fhs h ASP 82 N 0.05 0.55 -0.17 0.57 3.32 0.11 -2.83 116.42 118.02 1fhs h ASP 82 Ca 0.00 -0.51 -0.09 0.00 0.02 0.00 0.00 57.03 56.45 1fhs h ASP 82 Cb 0.72 -0.16 -0.05 0.00 0.22 0.00 0.00 39.33 40.06 1fhs h ASP 82 CO 0.05 0.96 0.11 0.00 -1.72 0.00 0.00 179.24 178.64 1fhs n TYR 83 N -4.39 0.54 0.00 4.55 9.36 -0.83 -2.97 117.16 123.41 1fhs n TYR 83 Ca -0.06 -0.69 0.00 0.00 3.32 0.00 0.00 57.90 60.47 1fhs n TYR 83 Cb 0.45 -0.36 0.00 0.00 -0.63 0.00 0.00 39.34 38.80 1fhs n TYR 83 CO 0.00 0.00 0.00 0.72 0.22 0.00 0.00 176.86 177.80 1fhs n HIS 84 N 0.20 0.00 0.15 2.98 8.25 -1.10 -4.65 115.22 121.04 1fhs n HIS 84 Ca 0.10 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.56 1fhs n HIS 84 Cb 0.69 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.80 1fhs n HIS 84 CO 0.00 0.00 0.00 2.89 0.64 0.00 0.00 176.34 179.87 1fhs n ARG 85 N -1.02 0.65 0.00 -0.41 1.85 -1.09 -1.81 116.66 114.83 1fhs n ARG 85 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.85 1fhs n ARG 85 Cb 0.14 -1.18 0.00 0.00 -1.05 0.00 0.00 32.46 30.37 1fhs n ARG 85 CO 0.00 0.00 0.00 0.43 -0.01 0.00 0.00 177.63 178.05 1fhs n SER 86 N 1.19 0.00 -2.31 2.89 7.64 -1.26 -4.92 113.62 116.86 1fhs n SER 86 Ca 0.00 0.00 -0.27 0.00 1.01 0.00 0.00 58.87 59.61 1fhs n SER 86 Cb 0.32 0.09 0.01 0.00 -1.01 0.00 0.00 64.21 63.63 1fhs n SER 86 CO 0.00 0.00 0.00 1.07 -3.01 0.00 0.00 175.04 173.10 1fhs n THR 87 N -1.86 2.55 -2.86 0.44 5.66 -1.11 -5.08 114.28 112.02 1fhs n THR 87 Ca 0.00 -4.53 0.00 0.00 -3.05 0.00 0.00 64.05 56.47 1fhs n THR 87 Cb 0.00 -1.21 0.00 0.00 -1.55 0.00 0.00 70.33 67.57 1fhs n THR 87 CO 0.00 0.00 0.00 -1.54 -3.05 0.00 0.00 175.07 170.48 1fhs n SER 88 N -0.60 -2.33 0.00 1.09 3.41 -0.75 -4.77 113.62 109.67 1fhs n SER 88 Ca 0.43 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 59.04 1fhs n SER 88 Cb 0.77 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.72 1fhs n SER 88 CO 0.00 0.00 0.00 0.55 -0.16 0.00 0.00 175.04 175.43 1fhs n VAL 89 N -0.41 0.00 -3.90 -3.33 3.14 -1.26 -4.43 118.33 108.14 1fhs n VAL 89 Ca 0.00 0.00 -0.26 0.00 -2.96 0.00 0.00 64.34 61.12 1fhs n VAL 89 Cb 0.00 -0.22 -0.03 0.00 -1.06 0.00 0.00 33.84 32.53 1fhs n VAL 89 CO 0.00 0.00 0.00 -0.55 -6.46 0.00 0.00 176.83 169.82 1fhs s SER 90 N -3.42 6.34 0.35 6.55 0.15 -1.26 -4.96 113.70 117.45 1fhs s SER 90 Ca 0.00 0.20 0.15 0.00 0.70 0.00 0.00 55.95 57.00 1fhs s SER 90 Cb 0.00 -1.92 1.16 0.00 -1.71 0.00 0.00 66.02 63.54 1fhs s SER 90 CO 0.00 0.02 1.58 0.08 1.20 0.00 0.00 173.24 176.12 1fhs h ARG 91 N 1.99 0.01 -5.84 5.44 0.11 -1.98 -3.00 114.38 111.11 1fhs h ARG 91 Ca -0.49 -0.00 -0.38 0.00 0.10 0.00 0.00 59.98 59.21 1fhs h ARG 91 Cb 1.20 -0.00 -0.05 0.00 1.11 0.00 0.00 29.97 32.23 1fhs h ARG 91 CO 0.68 0.01 0.98 -0.80 0.10 0.00 0.00 179.97 180.93 1fhs s ASN 92 N -4.68 5.30 -0.48 0.08 0.01 -1.26 -4.87 114.94 109.03 1fhs s ASN 92 Ca -0.10 -0.41 -0.27 0.00 -0.71 0.00 0.00 52.86 51.36 1fhs s ASN 92 Cb 0.32 -2.55 -0.02 0.00 0.41 0.00 0.00 41.25 39.42 1fhs s ASN 92 CO 0.78 -2.52 1.77 0.00 -1.51 0.00 0.00 177.10 175.62 1fhs s GLN 93 N 6.85 3.02 0.00 -0.60 -2.07 -1.13 -4.38 119.66 121.35 1fhs s GLN 93 Ca 0.66 0.95 0.00 0.00 -1.82 0.00 0.00 55.36 55.15 1fhs s GLN 93 Cb -0.08 -4.27 0.00 0.00 -1.09 0.00 0.00 33.01 27.57 1fhs s GLN 93 CO 0.06 -2.25 0.00 0.00 -1.32 0.00 0.00 175.29 171.78 1fhs n GLN 94 N 8.76 0.00 -3.91 9.60 10.64 -1.26 -4.99 117.38 136.21 1fhs n GLN 94 Ca 0.21 0.00 -0.25 0.00 -1.83 0.00 0.00 57.00 55.13 1fhs n GLN 94 Cb 0.50 0.00 -0.17 0.00 -0.86 0.00 0.00 30.24 29.70 1fhs n GLN 94 CO 0.00 0.00 0.00 0.42 -1.83 0.00 0.00 177.06 175.65 1fhs s ILE 95 N 0.00 0.77 -0.19 -0.39 1.01 -1.26 -4.97 121.20 116.16 1fhs s ILE 95 Ca 0.00 -0.14 -0.02 0.00 0.00 0.00 0.00 60.65 60.49 1fhs s ILE 95 Cb 0.00 -0.83 -0.00 0.00 0.01 0.00 0.00 42.46 41.64 1fhs s ILE 95 CO 0.00 0.32 -0.09 -0.36 0.00 0.00 0.00 174.94 174.81 1fhs s PHE 96 N 1.69 2.89 -0.56 3.97 0.40 -1.26 -4.15 117.98 120.97 1fhs s PHE 96 Ca 0.03 -1.03 -0.22 0.00 -0.60 0.00 0.00 56.93 55.11 1fhs s PHE 96 Cb -0.13 -2.01 0.06 0.00 0.51 0.00 0.00 43.02 41.44 1fhs s PHE 96 CO -0.06 -0.54 0.81 -0.51 0.70 0.00 0.00 175.22 175.62 1fhs s LEU 97 N 1.22 4.55 0.00 -0.37 1.43 -1.26 -3.91 118.68 120.34 1fhs s LEU 97 Ca 0.02 -0.74 0.00 0.00 -1.03 0.00 0.00 54.13 52.39 1fhs s LEU 97 Cb -0.14 -2.58 0.00 0.00 0.03 0.00 0.00 46.19 43.49 1fhs s LEU 97 CO -0.04 -1.13 0.00 -1.14 0.23 0.00 0.00 176.35 174.27 1fhs n ARG 98 N 6.95 0.00 -0.70 1.70 0.63 -1.12 -4.94 116.66 119.19 1fhs n ARG 98 Ca -0.03 0.00 -0.31 0.00 -0.92 0.00 0.00 57.85 56.59 1fhs n ARG 98 Cb 0.46 0.00 -0.06 0.00 0.45 0.00 0.00 32.46 33.31 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 0.44 0.00 6.15 -0.08 -1.26 -2.91 116.55 118.89 1fhs n ASP 99 Ca 0.00 0.41 0.00 0.00 -1.51 0.00 0.00 54.79 53.69 1fhs n ASP 99 Cb 0.00 -0.45 0.00 0.00 2.34 0.00 0.00 41.12 43.01 1fhs n ASP 99 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1fhs n ILE 100 N 2.88 0.00 -3.69 5.18 3.06 -1.26 -2.73 119.36 122.80 1fhs n ILE 100 Ca 0.24 0.00 -0.11 0.00 -2.50 0.00 0.00 62.75 60.38 1fhs n ILE 100 Cb -0.02 -0.49 -0.11 0.00 0.54 0.00 0.00 39.64 39.55 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 -1.98 0.30 -0.16 9.51 0.41 -1.26 -4.85 118.70 120.67 1fhs s GLU 101 Ca 0.00 0.80 -0.00 0.00 -0.41 0.00 0.00 54.97 55.36 1fhs s GLU 101 Cb 0.00 0.05 0.04 0.00 -1.78 0.00 0.00 34.13 32.43 1fhs s GLU 101 CO 0.00 -0.20 -0.08 -1.14 -0.49 0.00 0.00 175.26 173.35 1fhs s GLN 102 N 1.85 1.71 0.22 1.61 2.00 -1.26 -4.95 119.66 120.83 1fhs s GLN 102 Ca -0.06 -0.54 0.00 0.00 -2.00 0.00 0.00 55.36 52.76 1fhs s GLN 102 Cb -0.10 -2.03 0.00 0.00 0.80 0.00 0.00 33.01 31.68 1fhs s GLN 102 CO -0.11 -0.37 0.00 1.55 -0.50 0.00 0.00 175.29 175.86 1fhs n VAL 103 N 4.83 0.06 -1.64 1.34 3.14 -1.26 -5.08 118.33 119.72 1fhs n VAL 103 Ca -0.13 0.02 -0.52 0.00 -2.96 0.00 0.00 64.34 60.75 1fhs n VAL 103 Cb 0.48 -0.45 -0.06 0.00 -1.06 0.00 0.00 33.84 32.75 1fhs n VAL 103 CO 0.00 0.00 0.00 -2.65 -6.46 0.00 0.00 176.83 167.72 1fhs n PRO 104 N -3.27 1.44 0.00 1.45 -0.02 -1.26 -3.35 135.00 129.99 1fhs n PRO 104 Ca 0.00 0.52 0.00 0.00 -2.02 0.00 0.00 63.50 62.00 1fhs n PRO 104 Cb 0.00 -2.22 0.00 0.00 -0.02 0.00 0.00 33.50 31.26 1fhs n PRO 104 CO 0.00 0.00 0.00 1.04 1.98 0.00 0.00 175.50 178.52 1fhs n GLN 105 N 3.73 0.00 0.13 -0.52 6.02 -1.26 -4.93 117.38 120.55 1fhs n GLN 105 Ca 0.20 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.19 1fhs n GLN 105 Cb 0.21 0.00 0.00 0.00 1.02 0.00 0.00 30.24 31.47 1fhs n GLN 105 CO 0.00 0.00 0.00 1.04 -1.01 0.00 0.00 177.06 177.09 1fhs n GLN 106 N -0.42 0.00 -1.67 -1.09 3.00 -1.21 -5.04 117.38 110.95 1fhs n GLN 106 Ca 0.00 0.00 -0.53 0.00 -0.01 0.00 0.00 57.00 56.46 1fhs n GLN 106 Cb 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 30.24 30.18 1fhs n GLN 106 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.06 174.76 1fhs n PRO 107 N -3.27 1.59 -3.15 -1.09 -0.02 -1.26 -3.64 135.00 124.16 1fhs n PRO 107 Ca 0.00 0.57 -0.00 0.00 -2.02 0.00 0.00 63.50 62.05 1fhs n PRO 107 Cb 0.00 -2.39 -0.00 0.00 -0.02 0.00 0.00 33.50 31.09 1fhs n PRO 107 CO 0.00 0.00 0.00 2.41 1.98 0.00 0.00 175.50 179.89 1fhs n THR 108 N 5.19 -2.50 -2.69 3.45 -1.04 -1.26 -4.95 114.28 110.48 1fhs n THR 108 Ca 0.27 0.53 -0.05 0.00 -2.04 0.00 0.00 64.05 62.76 1fhs n THR 108 Cb 0.21 -3.18 0.12 0.00 -1.82 0.00 0.00 70.33 65.66 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 1.40 -2.08 -2.76 -1.42 4.01 -1.24 -4.97 117.16 110.10 1fhs n TYR 109 Ca -0.00 -1.88 -0.10 0.00 -0.16 0.00 0.00 57.90 55.76 1fhs n TYR 109 Cb 0.42 1.46 0.04 0.00 -0.31 0.00 0.00 39.34 40.96 1fhs n TYR 109 CO 0.00 0.00 0.00 1.55 -0.46 0.00 0.00 176.86 177.95 1fhs n VAL 110 N -0.96 0.53 -1.67 -0.72 3.14 -1.26 -5.06 118.33 112.33 1fhs n VAL 110 Ca -0.08 -2.87 0.00 0.00 -2.96 0.00 0.00 64.34 58.42 1fhs n VAL 110 Cb 0.86 0.64 0.00 0.00 -1.06 0.00 0.00 33.84 34.28 1fhs n VAL 110 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 1fhs n GLN 111 N -0.09 -0.64 0.00 1.45 6.02 -1.26 -5.30 117.38 117.56 1fhs n GLN 111 Ca 0.09 0.63 0.12 0.00 -0.01 0.00 0.00 57.00 57.83 1fhs n GLN 111 Cb 0.79 -0.44 0.14 0.00 1.02 0.00 0.00 30.24 31.74 1fhs n GLN 111 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05