#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 4.78 -0.35 -0.61 1.09 -1.26 0.39 121.20 125.24 1fhs s ILE 2 Ca 0.00 1.81 -0.05 0.00 -1.10 0.00 0.00 60.65 61.31 1fhs s ILE 2 Cb 0.00 -4.20 0.23 0.00 -1.06 0.00 0.00 42.46 37.43 1fhs s ILE 2 CO 0.00 0.28 1.11 1.21 -0.10 0.00 0.00 174.94 177.44 1fhs n GLU 3 N 3.27 0.14 -2.59 2.79 2.13 -1.26 -4.73 120.64 120.39 1fhs n GLU 3 Ca 0.01 -0.85 -0.12 0.00 0.66 0.00 0.00 57.16 56.87 1fhs n GLU 3 Cb 0.50 -0.05 0.03 0.00 0.27 0.00 0.00 31.44 32.19 1fhs n GLU 3 CO 0.00 0.00 0.00 -0.12 -0.41 0.00 0.00 177.13 176.60 1fhs n MET 4 N 2.36 2.09 0.00 5.31 1.56 -1.26 -4.84 117.12 122.34 1fhs n MET 4 Ca 0.10 -3.69 0.00 0.00 -0.27 0.00 0.00 57.70 53.84 1fhs n MET 4 Cb 0.66 -1.68 0.00 0.00 2.15 0.00 0.00 33.22 34.34 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 -0.39 0.00 0.00 2.12 2.85 -1.26 -5.15 118.16 116.33 1fhs n LYS 5 Ca 0.19 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.45 1fhs n LYS 5 Cb 0.81 0.00 0.00 0.00 -0.65 0.00 0.00 35.03 35.19 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 0.00 0.00 -3.65 -1.58 -0.02 -1.26 -4.96 135.00 123.52 1fhs n PRO 6 Ca 0.00 0.00 -0.18 0.00 -2.02 0.00 0.00 63.50 61.30 1fhs n PRO 6 Cb 0.00 0.00 -0.16 0.00 -0.02 0.00 0.00 33.50 33.32 1fhs n PRO 6 CO 0.00 0.00 0.00 -3.38 1.98 0.00 0.00 175.50 174.10 1fhs s HIS 7 N 0.00 -0.12 0.00 6.00 -3.43 -1.26 -5.11 115.29 111.37 1fhs s HIS 7 Ca 0.00 0.48 0.00 0.00 -0.80 0.00 0.00 55.06 54.74 1fhs s HIS 7 Cb 0.00 -0.33 0.00 0.00 -1.43 0.00 0.00 32.58 30.82 1fhs s HIS 7 CO 0.00 -0.29 0.00 -0.35 -2.00 0.00 0.00 174.74 172.10 1fhs n PRO 8 N 5.32 0.00 0.00 -0.38 -0.04 -1.26 -4.57 135.00 134.07 1fhs n PRO 8 Ca -0.04 0.00 0.02 0.00 -0.04 0.00 0.00 63.50 63.44 1fhs n PRO 8 Cb 0.50 0.00 0.12 0.00 -0.04 0.00 0.00 33.50 34.08 1fhs n PRO 8 CO 0.00 0.00 0.00 -2.67 -0.04 0.00 0.00 175.50 172.79 1fhs n TRP 9 N 0.00 0.00 -2.84 0.54 4.27 -1.26 -4.60 117.44 113.55 1fhs n TRP 9 Ca 0.00 0.00 -0.42 0.00 -3.89 0.00 0.00 57.50 53.19 1fhs n TRP 9 Cb 0.00 0.00 -0.04 0.00 -1.36 0.00 0.00 31.31 29.91 1fhs n TRP 9 CO 0.00 0.00 0.00 0.12 -2.29 0.00 0.00 177.69 175.52 1fhs s PHE 10 N -2.00 3.31 -0.19 -2.67 2.19 -1.26 -2.95 117.98 114.40 1fhs s PHE 10 Ca 0.06 1.18 -0.01 0.00 0.33 0.00 0.00 56.93 58.49 1fhs s PHE 10 Cb 0.03 -3.12 0.00 0.00 -1.31 0.00 0.00 43.02 38.62 1fhs s PHE 10 CO 0.05 -0.43 -0.12 -0.06 1.83 0.00 0.00 175.22 176.48 1fhs s PHE 11 N 2.94 2.85 0.00 10.12 0.40 -1.09 -4.91 117.98 128.28 1fhs s PHE 11 Ca 0.37 -1.17 0.00 0.00 -0.60 0.00 0.00 56.93 55.53 1fhs s PHE 11 Cb -0.15 -1.98 0.00 0.00 0.51 0.00 0.00 43.02 41.40 1fhs s PHE 11 CO 0.08 -0.59 0.00 0.41 0.70 0.00 0.00 175.22 175.81 1fhs n GLY 12 N 4.48 -2.86 3.30 4.36 0.00 -1.26 -2.91 105.19 110.31 1fhs n GLY 12 Ca -0.19 -0.81 -0.38 0.00 0.00 0.00 0.00 46.02 44.63 1fhs n GLY 12 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1fhs n LYS 13 N 0.00 2.15 -2.97 1.61 2.85 -1.18 -2.67 118.16 117.95 1fhs n LYS 13 Ca 0.00 -2.50 -0.40 0.00 -1.05 0.00 0.00 58.31 54.36 1fhs n LYS 13 Cb 0.00 -3.37 -0.04 0.00 -0.65 0.00 0.00 35.03 30.97 1fhs n LYS 13 CO 0.00 0.00 0.00 -1.50 -0.05 0.00 0.00 177.40 175.85 1fhs s ILE 14 N 6.45 5.00 -0.32 0.58 1.10 -1.26 -4.84 121.20 127.91 1fhs s ILE 14 Ca 0.58 1.58 -0.42 0.00 -0.51 0.00 0.00 60.65 61.88 1fhs s ILE 14 Cb 0.07 -4.10 -0.17 0.00 0.15 0.00 0.00 42.46 38.41 1fhs s ILE 14 CO 0.08 0.21 1.67 -2.65 -2.11 0.00 0.00 174.94 172.14 1fhs n PRO 15 N 3.95 0.80 -0.33 3.50 -0.02 -1.26 -4.65 135.00 136.99 1fhs n PRO 15 Ca 0.01 0.29 0.32 0.00 -2.02 0.00 0.00 63.50 62.10 1fhs n PRO 15 Cb 0.51 -1.92 0.59 0.00 -0.02 0.00 0.00 33.50 32.66 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 4.76 -0.06 0.13 -0.52 0.63 -1.26 0.64 116.66 120.98 1fhs n ARG 16 Ca 0.27 1.33 -0.05 0.00 -0.92 0.00 0.00 57.85 58.48 1fhs n ARG 16 Cb 0.08 -2.42 -0.03 0.00 0.45 0.00 0.00 32.46 30.54 1fhs n ARG 16 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1fhs h ALA 17 N 1.90 -0.83 -0.97 5.13 0.00 -2.00 -2.78 119.26 119.71 1fhs h ALA 17 Ca 0.83 -0.08 0.38 0.00 0.00 0.00 0.00 54.91 56.05 1fhs h ALA 17 Cb 2.28 0.13 -0.14 0.00 0.00 0.00 0.00 17.79 20.06 1fhs h ALA 17 CO -0.71 -0.80 0.57 1.17 0.00 0.00 0.00 179.25 179.47 1fhs n LYS 18 N -3.19 -0.04 0.12 0.00 3.00 0.21 0.15 118.16 118.40 1fhs n LYS 18 Ca -0.04 1.15 -0.07 0.00 -0.00 0.00 0.00 58.31 59.34 1fhs n LYS 18 Cb 0.14 -2.13 -0.04 0.00 0.00 0.00 0.00 35.03 33.00 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 1.60 -0.91 -0.88 3.14 0.00 -0.27 0.19 119.26 122.12 1fhs h ALA 19 Ca 0.74 -0.08 0.24 0.00 0.00 0.00 0.00 54.91 55.81 1fhs h ALA 19 Cb 2.11 0.46 -0.14 0.00 0.00 0.00 0.00 17.79 20.22 1fhs h ALA 19 CO -0.57 -0.92 0.27 0.93 0.00 0.00 0.00 179.25 178.96 1fhs h GLU 20 N -0.41 0.23 0.00 0.00 5.08 0.17 0.32 114.58 119.97 1fhs h GLU 20 Ca -0.02 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.32 1fhs h GLU 20 Cb 0.36 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.55 1fhs h GLU 20 CO -0.03 0.15 0.00 0.39 -1.00 0.00 0.00 179.01 178.52 1fhs n GLU 21 N -5.19 0.00 -0.27 2.33 1.02 1.00 0.13 120.64 119.66 1fhs n GLU 21 Ca 0.22 0.06 0.11 0.00 -0.02 0.00 0.00 57.16 57.54 1fhs n GLU 21 Cb 0.69 -1.02 0.37 0.00 -0.02 0.00 0.00 31.44 31.46 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 0.69 -0.01 3.49 -0.00 -0.61 0.34 114.93 118.82 1fhs h MET 22 Ca 0.00 -0.04 -0.10 0.00 -0.00 0.00 0.00 59.70 59.56 1fhs h MET 22 Cb 0.00 -0.16 -0.01 0.00 -0.00 0.00 0.00 31.60 31.43 1fhs h MET 22 CO 0.00 0.46 -0.46 1.25 -0.00 0.00 0.00 176.91 178.16 1fhs h LEU 23 N 0.71 0.04 -1.08 -0.10 5.85 -0.38 -2.05 115.31 118.30 1fhs h LEU 23 Ca 0.44 -0.02 -0.09 0.00 0.84 0.00 0.00 57.88 59.05 1fhs h LEU 23 Cb 0.67 -0.01 -0.01 0.00 0.37 0.00 0.00 40.66 41.68 1fhs h LEU 23 CO -0.20 0.49 -0.44 0.77 -0.34 0.00 0.00 178.44 178.72 1fhs h SER 24 N 0.03 0.00 0.00 1.25 4.64 0.50 -2.93 113.55 117.04 1fhs h SER 24 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1fhs h SER 24 Cb 0.82 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.91 1fhs h SER 24 CO 0.06 0.44 0.00 0.29 -0.87 0.00 0.00 176.83 176.75 1fhs n LYS 25 N -3.89 0.62 -4.25 4.77 5.02 -0.50 -4.75 118.16 115.18 1fhs n LYS 25 Ca -0.01 0.00 -0.32 0.00 -2.02 0.00 0.00 58.31 55.95 1fhs n LYS 25 Cb 0.48 -1.19 -0.09 0.00 -0.02 0.00 0.00 35.03 34.22 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 0.51 2.80 0.00 1.97 -1.52 -1.11 -4.97 119.66 117.35 1fhs s GLN 26 Ca 0.00 -0.61 0.00 0.00 -1.95 0.00 0.00 55.36 52.80 1fhs s GLN 26 Cb 0.00 -2.68 0.00 0.00 -0.22 0.00 0.00 33.01 30.11 1fhs s GLN 26 CO 0.00 0.62 1.41 0.54 -0.25 0.00 0.00 175.29 177.61 1fhs n ARG 27 N 1.31 0.77 -3.09 2.91 1.74 -1.26 -4.77 116.66 114.28 1fhs n ARG 27 Ca -0.14 0.00 -0.01 0.00 -0.77 0.00 0.00 57.85 56.93 1fhs n ARG 27 Cb 0.53 -1.11 0.00 0.00 -1.02 0.00 0.00 32.46 30.85 1fhs n ARG 27 CO 0.00 0.00 0.00 1.58 -1.52 0.00 0.00 177.63 177.69 1fhs n HIS 28 N 1.44 -0.97 -2.51 -1.55 -0.00 -1.26 -4.95 115.22 105.41 1fhs n HIS 28 Ca 0.00 0.43 -0.03 0.00 -0.00 0.00 0.00 57.72 58.12 1fhs n HIS 28 Cb 0.39 -1.71 0.07 0.00 -0.00 0.00 0.00 29.99 28.73 1fhs n HIS 28 CO 0.00 0.00 0.00 -0.25 -0.00 0.00 0.00 176.34 176.09 1fhs n ASP 29 N 1.13 -1.07 0.00 0.26 8.00 -1.26 -4.96 116.55 118.64 1fhs n ASP 29 Ca -0.00 -2.14 0.00 0.00 0.71 0.00 0.00 54.79 53.35 1fhs n ASP 29 Cb 0.39 0.48 0.00 0.00 -0.02 0.00 0.00 41.12 41.97 1fhs n ASP 29 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1fhs n GLY 30 N -1.04 1.78 3.63 0.44 0.00 -1.24 -4.36 105.19 104.40 1fhs n GLY 30 Ca -0.18 0.00 -0.65 0.00 0.00 0.00 0.00 46.02 45.18 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 0.32 -0.92 -2.54 4.61 0.00 -1.20 -2.84 120.51 117.93 1fhs n ALA 31 Ca 0.00 0.42 -0.10 0.00 0.00 0.00 0.00 53.44 53.76 1fhs n ALA 31 Cb 0.00 -1.98 -0.11 0.00 0.00 0.00 0.00 19.45 17.36 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 3.74 0.60 -0.04 0.00 -0.71 -1.10 -0.80 117.98 119.67 1fhs s PHE 32 Ca 1.08 -0.74 -0.20 0.00 -1.04 0.00 0.00 56.93 56.03 1fhs s PHE 32 Cb -1.47 -0.38 0.04 0.00 -1.21 0.00 0.00 43.02 40.00 1fhs s PHE 32 CO 0.77 -0.19 0.43 -0.48 -1.34 0.00 0.00 175.22 174.41 1fhs s LEU 33 N -2.23 0.35 -0.28 -1.99 0.05 -1.00 -4.82 118.68 108.77 1fhs s LEU 33 Ca -0.02 0.35 -0.06 0.00 0.05 0.00 0.00 54.13 54.45 1fhs s LEU 33 Cb -0.02 1.67 0.01 0.00 -2.05 0.00 0.00 46.19 45.79 1fhs s LEU 33 CO -0.04 -0.47 0.05 -0.63 -0.55 0.00 0.00 176.35 174.71 1fhs s ILE 34 N -1.14 3.78 -0.23 1.48 1.01 -1.15 -0.59 121.20 124.35 1fhs s ILE 34 Ca -0.12 -0.67 -0.11 0.00 0.00 0.00 0.00 60.65 59.75 1fhs s ILE 34 Cb -0.04 -2.90 -0.05 0.00 0.01 0.00 0.00 42.46 39.48 1fhs s ILE 34 CO 0.06 0.16 0.19 0.00 0.00 0.00 0.00 174.94 175.34 1fhs s ARG 35 N 1.48 4.09 -0.24 2.79 1.70 -1.17 -2.67 118.95 124.93 1fhs s ARG 35 Ca 0.03 -0.20 -0.20 0.00 -0.47 0.00 0.00 55.73 54.88 1fhs s ARG 35 Cb -0.17 -3.53 -0.02 0.00 -0.57 0.00 0.00 34.95 30.67 1fhs s ARG 35 CO 0.01 0.07 0.63 -2.00 -1.08 0.00 0.00 175.30 172.92 1fhs s GLU 36 N 1.03 4.13 0.22 3.89 2.12 -1.09 -3.81 118.70 125.19 1fhs s GLU 36 Ca 0.09 0.56 -0.30 0.00 0.36 0.00 0.00 54.97 55.68 1fhs s GLU 36 Cb -0.13 -3.64 -0.16 0.00 0.26 0.00 0.00 34.13 30.46 1fhs s GLU 36 CO 0.04 -0.38 0.89 0.45 -0.54 0.00 0.00 175.26 175.73 1fhs n SER 37 N 5.59 0.45 0.00 -1.70 2.88 -1.00 -3.10 113.62 116.73 1fhs n SER 37 Ca -0.01 1.16 0.00 0.00 -1.33 0.00 0.00 58.87 58.69 1fhs n SER 37 Cb 0.49 -1.15 0.00 0.00 -0.75 0.00 0.00 64.21 62.80 1fhs n SER 37 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 1fhs n GLU 38 N 1.06 0.00 -2.05 -1.46 1.02 -1.26 -2.48 120.64 115.47 1fhs n GLU 38 Ca 0.14 0.65 -0.39 0.00 -0.02 0.00 0.00 57.16 57.54 1fhs n GLU 38 Cb 0.27 -1.17 0.03 0.00 -0.02 0.00 0.00 31.44 30.55 1fhs n GLU 38 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 1fhs n SER 39 N -1.66 7.23 -3.09 1.62 2.88 -1.26 -4.72 113.62 114.62 1fhs n SER 39 Ca 0.00 -3.81 0.04 0.00 -1.33 0.00 0.00 58.87 53.77 1fhs n SER 39 Cb 0.00 -1.02 0.00 0.00 -0.75 0.00 0.00 64.21 62.44 1fhs n SER 39 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1fhs s ALA 40 N -4.05 -3.70 -1.57 -1.46 0.00 -1.04 -5.02 121.76 104.92 1fhs s ALA 40 Ca 0.50 1.22 0.24 0.00 0.00 0.00 0.00 51.96 53.92 1fhs s ALA 40 Cb 0.41 -2.80 1.26 0.00 0.00 0.00 0.00 23.12 21.98 1fhs s ALA 40 CO -0.37 -2.12 1.79 -0.35 0.00 0.00 0.00 175.76 174.71 1fhs n PRO 41 N 4.90 0.44 -1.49 0.00 -0.04 -1.26 -3.13 135.00 134.42 1fhs n PRO 41 Ca 0.08 0.05 -0.32 0.00 -0.04 0.00 0.00 63.50 63.26 1fhs n PRO 41 Cb 0.58 -1.50 0.07 0.00 -0.04 0.00 0.00 33.50 32.60 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 0.66 6.00 2.93 0.55 0.00 -1.26 -4.88 105.19 109.20 1fhs n GLY 42 Ca 0.13 -2.40 -0.15 0.00 0.00 0.00 0.00 46.02 43.61 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 -2.24 0.58 0.04 1.61 1.11 -1.18 -5.01 116.67 111.57 1fhs s ASP 43 Ca 0.62 0.42 -0.01 0.00 0.18 0.00 0.00 52.55 53.76 1fhs s ASP 43 Cb 0.49 0.58 -0.04 0.00 1.07 0.00 0.00 42.92 45.02 1fhs s ASP 43 CO -0.00 -0.25 -0.03 -0.36 1.18 0.00 0.00 175.17 175.70 1fhs s PHE 44 N 2.38 0.47 -0.23 4.23 0.40 -1.26 -2.37 117.98 121.60 1fhs s PHE 44 Ca 0.03 -0.95 -0.12 0.00 -0.60 0.00 0.00 56.93 55.28 1fhs s PHE 44 Cb -0.13 -0.35 0.07 0.00 0.51 0.00 0.00 43.02 43.13 1fhs s PHE 44 CO -0.09 -0.33 0.56 -1.54 0.70 0.00 0.00 175.22 174.52 1fhs s SER 45 N -2.60 -0.74 -0.38 1.36 1.04 -1.25 0.70 113.70 111.82 1fhs s SER 45 Ca 0.02 1.23 -0.22 0.00 0.48 0.00 0.00 55.95 57.46 1fhs s SER 45 Cb 0.04 1.15 0.01 0.00 0.10 0.00 0.00 66.02 67.33 1fhs s SER 45 CO -0.08 -0.22 0.72 -0.22 0.98 0.00 0.00 173.24 174.42 1fhs s LEU 46 N 1.62 4.22 0.15 2.42 0.20 0.12 -3.02 118.68 124.40 1fhs s LEU 46 Ca -0.09 0.15 -0.06 0.00 0.69 0.00 0.00 54.13 54.82 1fhs s LEU 46 Cb -0.07 -2.91 -0.06 0.00 -0.43 0.00 0.00 46.19 42.72 1fhs s LEU 46 CO -0.17 -0.72 0.40 -0.94 -0.29 0.00 0.00 176.35 174.63 1fhs s SER 47 N 1.89 6.52 -0.10 3.68 1.04 0.24 0.98 113.70 127.96 1fhs s SER 47 Ca 0.28 0.64 -0.08 0.00 0.48 0.00 0.00 55.95 57.28 1fhs s SER 47 Cb -0.13 -2.11 0.03 0.00 0.10 0.00 0.00 66.02 63.90 1fhs s SER 47 CO 0.17 0.05 0.25 -0.69 0.98 0.00 0.00 173.24 174.00 1fhs s VAL 48 N -1.65 -0.01 -0.66 5.02 1.01 0.10 -2.38 120.40 121.85 1fhs s VAL 48 Ca 0.41 0.03 -0.26 0.00 0.00 0.00 0.00 61.98 62.15 1fhs s VAL 48 Cb -0.12 -0.36 -0.03 0.00 0.00 0.00 0.00 36.38 35.87 1fhs s VAL 48 CO 0.23 0.01 1.91 -0.75 0.00 0.00 0.00 175.10 176.51 1fhs s LYS 49 N 0.34 2.57 -0.31 2.72 2.47 0.02 -0.61 119.74 126.95 1fhs s LYS 49 Ca -0.02 0.50 -0.01 0.00 -1.56 0.00 0.00 55.97 54.88 1fhs s LYS 49 Cb -0.03 -4.52 0.06 0.00 -1.46 0.00 0.00 37.83 31.87 1fhs s LYS 49 CO -0.01 -2.90 0.01 0.12 0.16 0.00 0.00 175.35 172.72 1fhs s PHE 50 N 9.51 3.30 0.10 4.03 5.36 -0.91 -4.22 117.98 135.15 1fhs s PHE 50 Ca 0.70 -1.98 -0.07 0.00 -0.96 0.00 0.00 56.93 54.61 1fhs s PHE 50 Cb -0.12 -2.19 -0.05 0.00 -0.34 0.00 0.00 43.02 40.32 1fhs s PHE 50 CO 0.17 -0.83 0.07 0.41 -1.46 0.00 0.00 175.22 173.58 1fhs n GLY 51 N 4.59 -0.72 2.60 13.12 0.00 -1.26 -0.93 105.19 122.60 1fhs n GLY 51 Ca -0.12 0.03 0.00 0.00 0.00 0.00 0.00 46.02 45.93 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 0.66 0.00 -1.23 1.61 5.15 -1.26 -4.90 115.26 115.29 1fhs n ASN 52 Ca 0.04 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 54.02 1fhs n ASN 52 Cb 0.10 0.00 0.00 0.00 -0.53 0.00 0.00 39.78 39.36 1fhs n ASN 52 CO 0.00 0.00 0.00 -0.67 1.40 0.00 0.00 177.26 177.99 1fhs n ASP 53 N 0.70 -0.11 -4.52 1.20 2.03 -0.11 -5.12 116.55 110.62 1fhs n ASP 53 Ca 0.00 -1.04 -0.38 0.00 0.52 0.00 0.00 54.79 53.89 1fhs n ASP 53 Cb 0.00 0.18 -0.11 0.00 -0.72 0.00 0.00 41.12 40.46 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 -2.25 4.96 0.40 5.18 1.01 -1.26 -2.15 120.40 126.29 1fhs s VAL 54 Ca 0.02 -0.06 -0.04 0.00 0.00 0.00 0.00 61.98 61.91 1fhs s VAL 54 Cb -0.00 -3.40 -0.04 0.00 0.00 0.00 0.00 36.38 32.93 1fhs s VAL 54 CO 0.00 0.21 0.67 -1.58 0.00 0.00 0.00 175.10 174.40 1fhs s GLN 55 N 1.70 3.57 -0.07 2.72 0.74 0.22 -4.91 119.66 123.62 1fhs s GLN 55 Ca 0.06 0.04 -0.10 0.00 0.05 0.00 0.00 55.36 55.41 1fhs s GLN 55 Cb -0.16 -2.51 0.02 0.00 1.10 0.00 0.00 33.01 31.46 1fhs s GLN 55 CO 0.08 -0.01 0.26 -3.38 -0.55 0.00 0.00 175.29 171.70 1fhs s HIS 56 N -2.46 -0.24 -0.30 1.67 -3.43 -1.26 0.03 115.29 109.29 1fhs s HIS 56 Ca 0.45 0.55 0.01 0.00 -0.80 0.00 0.00 55.06 55.27 1fhs s HIS 56 Cb -0.10 0.08 0.09 0.00 -1.43 0.00 0.00 32.58 31.23 1fhs s HIS 56 CO 0.38 -0.20 0.05 -0.06 -2.00 0.00 0.00 174.74 172.91 1fhs s PHE 57 N -0.29 2.53 0.08 0.38 0.08 0.28 -4.92 117.98 116.11 1fhs s PHE 57 Ca -0.04 -2.16 -0.31 0.00 0.12 0.00 0.00 56.93 54.54 1fhs s PHE 57 Cb -0.03 -2.10 -0.10 0.00 -0.57 0.00 0.00 43.02 40.22 1fhs s PHE 57 CO 0.01 -0.88 1.91 0.15 -0.10 0.00 0.00 175.22 176.31 1fhs s LYS 58 N 1.33 4.14 -0.81 0.44 1.02 -1.26 0.16 119.74 124.76 1fhs s LYS 58 Ca 0.07 2.62 -0.26 0.00 0.02 0.00 0.00 55.97 58.43 1fhs s LYS 58 Cb -0.18 -3.87 0.03 0.00 -0.52 0.00 0.00 37.83 33.29 1fhs s LYS 58 CO -0.16 -0.90 1.33 0.08 -0.92 0.00 0.00 175.35 174.78 1fhs s VAL 59 N 3.59 3.76 0.75 3.17 1.01 0.22 -4.64 120.40 128.26 1fhs s VAL 59 Ca 0.85 0.12 -0.01 0.00 0.00 0.00 0.00 61.98 62.94 1fhs s VAL 59 Cb -0.45 -4.94 0.14 0.00 0.00 0.00 0.00 36.38 31.13 1fhs s VAL 59 CO 0.39 -1.87 1.03 -0.76 0.00 0.00 0.00 175.10 173.89 1fhs s LEU 60 N 5.60 2.94 0.00 3.92 1.43 -0.80 -4.12 118.68 127.64 1fhs s LEU 60 Ca 0.38 -0.40 0.00 0.00 -1.03 0.00 0.00 54.13 53.08 1fhs s LEU 60 Cb -0.06 -1.87 0.00 0.00 0.03 0.00 0.00 46.19 44.29 1fhs s LEU 60 CO 0.09 -1.98 0.00 -1.14 0.23 0.00 0.00 176.35 173.55 1fhs n ARG 61 N -2.92 0.00 -0.38 1.70 3.00 -1.26 -2.70 116.66 114.10 1fhs n ARG 61 Ca 0.16 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 58.01 1fhs n ARG 61 Cb 0.61 0.00 0.00 0.00 0.00 0.00 0.00 32.46 33.07 1fhs n ARG 61 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.63 174.16 1fhs n ASP 62 N 3.42 -0.92 0.00 6.15 2.03 0.40 -4.89 116.55 122.74 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 -0.46 0.00 0.00 -0.72 0.00 0.00 41.12 39.94 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 1.62 3.89 0.67 0.27 0.00 -1.26 -4.81 105.19 105.57 1fhs n GLY 63 Ca 0.00 -0.95 0.00 0.00 0.00 0.00 0.00 46.02 45.07 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 0.00 2.51 -1.60 4.61 0.00 -1.26 -4.79 120.51 119.99 1fhs n ALA 64 Ca 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 53.44 53.31 1fhs n ALA 64 Cb 0.00 0.35 0.14 0.00 0.00 0.00 0.00 19.45 19.93 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 2.71 5.44 6.06 0.00 0.00 -1.26 -5.07 105.19 113.06 1fhs n GLY 65 Ca 0.00 -1.75 0.00 0.00 0.00 0.00 0.00 46.02 44.27 1fhs n GLY 65 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1fhs n LYS 66 N -0.99 0.00 -3.66 1.61 5.02 -1.26 -4.37 118.16 114.51 1fhs n LYS 66 Ca 0.40 0.00 -0.37 0.00 -2.02 0.00 0.00 58.31 56.32 1fhs n LYS 66 Cb 0.96 0.00 -0.07 0.00 -0.02 0.00 0.00 35.03 35.90 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 3.53 -0.04 2.13 2.02 -1.12 0.15 117.35 124.02 1fhs s TYR 67 Ca 0.00 0.59 -0.18 0.00 -0.37 0.00 0.00 57.07 57.10 1fhs s TYR 67 Cb 0.00 -2.19 0.04 0.00 -0.40 0.00 0.00 41.96 39.41 1fhs s TYR 67 CO 0.00 0.45 0.41 -0.59 -1.57 0.00 0.00 175.55 174.25 1fhs s PHE 68 N -0.21 -0.32 -0.17 2.71 -0.71 -1.10 0.10 117.98 118.29 1fhs s PHE 68 Ca 0.16 0.57 -0.23 0.00 -1.04 0.00 0.00 56.93 56.39 1fhs s PHE 68 Cb -0.13 0.17 -0.23 0.00 -1.21 0.00 0.00 43.02 41.63 1fhs s PHE 68 CO 0.04 -0.42 0.45 -0.07 -1.34 0.00 0.00 175.22 173.88 1fhs h LEU 69 N 3.88 0.06 0.00 -1.99 3.38 -1.82 -2.13 115.31 116.69 1fhs h LEU 69 Ca -0.29 -0.72 0.00 0.00 0.09 0.00 0.00 57.88 56.96 1fhs h LEU 69 Cb 1.17 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.90 1fhs h LEU 69 CO 0.38 1.35 0.00 0.79 0.09 0.00 0.00 178.44 181.05 1fhs n TRP 70 N -4.41 0.00 0.00 1.13 8.01 -1.26 -4.87 117.44 116.04 1fhs n TRP 70 Ca -0.24 0.00 0.00 0.00 -1.31 0.00 0.00 57.50 55.95 1fhs n TRP 70 Cb 0.65 0.08 0.00 0.00 -2.01 0.00 0.00 31.31 30.03 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 -1.38 0.00 -1.62 -0.99 0.31 -1.26 -4.99 118.33 108.40 1fhs n VAL 71 Ca 0.00 0.00 -0.49 0.00 -0.01 0.00 0.00 64.34 63.84 1fhs n VAL 71 Cb 0.00 -0.65 -0.05 0.00 -0.91 0.00 0.00 33.84 32.23 1fhs n VAL 71 CO 0.00 0.00 0.00 1.33 -1.32 0.00 0.00 176.83 176.84 1fhs n VAL 72 N -0.86 0.25 -1.89 2.52 0.24 -1.26 -4.93 118.33 112.40 1fhs n VAL 72 Ca 0.00 -0.06 0.00 0.00 -2.04 0.00 0.00 64.34 62.24 1fhs n VAL 72 Cb 0.00 -1.08 0.00 0.00 -1.47 0.00 0.00 33.84 31.29 1fhs n VAL 72 CO 0.00 0.00 0.00 0.29 -2.14 0.00 0.00 176.83 174.98 1fhs n LYS 73 N 2.57 0.46 -3.70 7.34 5.02 -1.26 -4.22 118.16 124.36 1fhs n LYS 73 Ca 0.17 0.00 -0.12 0.00 -2.02 0.00 0.00 58.31 56.34 1fhs n LYS 73 Cb 0.24 0.00 -0.10 0.00 -0.02 0.00 0.00 35.03 35.15 1fhs n LYS 73 CO 0.00 0.00 0.00 -0.06 -0.52 0.00 0.00 177.40 176.82 1fhs s PHE 74 N -0.10 -0.59 -0.01 2.13 0.08 0.29 -4.89 117.98 114.88 1fhs s PHE 74 Ca 0.00 1.33 0.30 0.00 0.12 0.00 0.00 56.93 58.68 1fhs s PHE 74 Cb 0.00 0.25 1.46 0.00 -0.57 0.00 0.00 43.02 44.16 1fhs s PHE 74 CO 0.00 -0.31 1.90 -0.91 -0.10 0.00 0.00 175.22 175.80 1fhs h ASN 75 N 6.25 0.00 -4.61 1.36 4.21 -1.93 -2.97 115.58 117.89 1fhs h ASN 75 Ca -0.31 0.00 0.14 0.00 1.21 0.00 0.00 56.30 57.34 1fhs h ASN 75 Cb 1.18 0.00 -0.16 0.00 -1.12 0.00 0.00 38.32 38.23 1fhs h ASN 75 CO 0.24 0.00 0.55 -0.44 -1.29 0.00 0.00 177.43 176.50 1fhs s SER 76 N -4.63 -0.31 0.32 5.81 0.01 -1.26 -4.91 113.70 108.73 1fhs s SER 76 Ca -0.01 -0.02 0.08 0.00 1.31 0.00 0.00 55.95 57.32 1fhs s SER 76 Cb 0.09 0.34 0.90 0.00 0.21 0.00 0.00 66.02 67.56 1fhs s SER 76 CO 0.35 -0.56 1.66 -0.07 0.41 0.00 0.00 173.24 175.04 1fhs h LEU 77 N 2.00 0.31 -1.07 2.44 3.38 -1.96 1.22 115.31 121.63 1fhs h LEU 77 Ca -0.20 0.19 0.10 0.00 0.09 0.00 0.00 57.88 58.06 1fhs h LEU 77 Cb 1.23 0.18 -0.07 0.00 0.09 0.00 0.00 40.66 42.09 1fhs h LEU 77 CO 0.29 -0.12 0.62 -1.13 0.09 0.00 0.00 178.44 178.19 1fhs h ASN 78 N 0.30 0.92 0.45 -0.43 -1.24 -1.98 0.35 115.58 113.96 1fhs h ASN 78 Ca 0.64 0.03 -0.07 0.00 0.71 0.00 0.00 56.30 57.61 1fhs h ASN 78 Cb 1.38 -0.16 -0.01 0.00 0.73 0.00 0.00 38.32 40.26 1fhs h ASN 78 CO -0.61 0.53 -0.34 -0.33 -1.29 0.00 0.00 177.43 175.39 1fhs h GLU 79 N 1.01 0.00 -0.17 6.67 3.07 0.11 1.19 114.58 126.46 1fhs h GLU 79 Ca 0.45 0.00 -0.02 0.00 -0.50 0.00 0.00 59.36 59.29 1fhs h GLU 79 Cb 0.38 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 28.28 1fhs h GLU 79 CO -0.21 0.34 0.01 1.25 -1.40 0.00 0.00 179.01 179.01 1fhs h LEU 80 N 0.00 0.28 -1.44 1.33 6.46 0.63 0.37 115.31 122.95 1fhs h LEU 80 Ca -0.00 -0.28 -0.05 0.00 -0.12 0.00 0.00 57.88 57.42 1fhs h LEU 80 Cb 0.66 -0.08 -0.01 0.00 -0.73 0.00 0.00 40.66 40.50 1fhs h LEU 80 CO 0.04 0.50 -0.18 0.58 -0.62 0.00 0.00 178.44 178.76 1fhs h VAL 81 N 0.06 1.18 -0.06 1.05 2.07 0.26 0.13 116.25 120.93 1fhs h VAL 81 Ca 0.05 -0.81 -0.17 0.00 0.82 0.00 0.00 66.70 66.59 1fhs h VAL 81 Cb 0.34 1.31 0.01 0.00 -1.52 0.00 0.00 31.29 31.43 1fhs h VAL 81 CO 0.01 0.24 -0.64 0.44 0.02 0.00 0.00 177.57 177.64 1fhs h ASP 82 N 0.14 0.66 -0.43 0.57 3.32 0.17 1.18 116.42 122.03 1fhs h ASP 82 Ca 0.03 -0.69 0.02 0.00 0.02 0.00 0.00 57.03 56.40 1fhs h ASP 82 Cb 0.40 -0.20 -0.03 0.00 0.22 0.00 0.00 39.33 39.72 1fhs h ASP 82 CO 0.03 1.26 0.25 0.22 -1.72 0.00 0.00 179.24 179.28 1fhs h TYR 83 N 0.12 0.47 -0.64 4.55 5.03 -0.02 0.23 116.97 126.72 1fhs h TYR 83 Ca -0.06 0.02 -0.36 0.00 2.58 0.00 0.00 58.73 60.91 1fhs h TYR 83 Cb 1.30 -0.15 -0.19 0.00 1.55 0.00 0.00 36.73 39.24 1fhs h TYR 83 CO 0.12 0.27 0.45 0.72 -1.32 0.00 0.00 178.16 178.41 1fhs n HIS 84 N -4.85 1.99 -0.51 -3.82 8.25 0.43 -4.55 115.22 112.17 1fhs n HIS 84 Ca 0.02 -1.59 0.42 0.00 -0.26 0.00 0.00 57.72 56.32 1fhs n HIS 84 Cb 0.07 -0.80 0.70 0.00 1.12 0.00 0.00 29.99 31.09 1fhs n HIS 84 CO 0.00 0.00 0.00 0.07 0.64 0.00 0.00 176.34 177.05 1fhs h ARG 85 N 0.88 0.01 0.00 -0.41 0.11 0.49 -2.42 114.38 113.04 1fhs h ARG 85 Ca 0.40 -0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.48 1fhs h ARG 85 Cb 1.88 -0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.96 1fhs h ARG 85 CO 0.78 0.01 0.00 -1.13 0.10 0.00 0.00 179.97 179.73 1fhs n SER 86 N -4.60 0.00 -1.00 0.08 3.41 -1.26 -4.75 113.62 105.49 1fhs n SER 86 Ca 0.41 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 59.02 1fhs n SER 86 Cb 1.64 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 65.59 1fhs n SER 86 CO 0.00 0.00 0.00 1.07 -0.16 0.00 0.00 175.04 175.95 1fhs n THR 87 N -0.94 0.00 0.00 6.66 5.66 -0.91 -1.57 114.28 123.18 1fhs n THR 87 Ca 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.00 1fhs n THR 87 Cb 0.00 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 68.78 1fhs n THR 87 CO 0.00 0.00 0.00 -0.24 -3.05 0.00 0.00 175.07 171.78 1fhs n SER 88 N -0.49 0.00 -2.80 1.09 2.88 -1.26 -4.70 113.62 108.34 1fhs n SER 88 Ca 0.00 0.00 -0.01 0.00 -1.33 0.00 0.00 58.87 57.53 1fhs n SER 88 Cb 0.00 0.00 0.06 0.00 -0.75 0.00 0.00 64.21 63.52 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 0.00 1.09 0.00 2.46 0.24 -1.26 -2.68 118.33 118.18 1fhs n VAL 89 Ca 0.00 -2.74 0.00 0.00 -2.04 0.00 0.00 64.34 59.56 1fhs n VAL 89 Cb 0.00 1.19 0.00 0.00 -1.47 0.00 0.00 33.84 33.56 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 -0.62 0.00 -1.19 -1.34 2.88 -1.26 -4.94 113.62 107.15 1fhs n SER 90 Ca 0.05 0.00 0.12 0.00 -1.33 0.00 0.00 58.87 57.71 1fhs n SER 90 Cb 0.81 0.00 0.23 0.00 -0.75 0.00 0.00 64.21 64.50 1fhs n SER 90 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 1fhs n ARG 91 N 0.00 2.55 -2.13 -1.46 1.74 -1.26 -4.95 116.66 111.15 1fhs n ARG 91 Ca 0.00 -2.35 -0.08 0.00 -0.77 0.00 0.00 57.85 54.65 1fhs n ARG 91 Cb 0.00 -1.53 -0.01 0.00 -1.02 0.00 0.00 32.46 29.90 1fhs n ARG 91 CO 0.00 0.00 0.00 0.27 -1.52 0.00 0.00 177.63 176.38 1fhs n ASN 92 N 1.53 -2.75 -0.98 0.55 6.94 -1.09 -4.56 115.26 114.90 1fhs n ASN 92 Ca 0.20 0.27 -0.03 0.00 -0.02 0.00 0.00 54.58 55.00 1fhs n ASN 92 Cb 0.62 -2.48 -0.02 0.00 -2.36 0.00 0.00 39.78 35.54 1fhs n ASN 92 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1fhs n GLN 93 N -2.39 0.12 -2.31 -3.83 10.64 -1.25 -4.98 117.38 113.37 1fhs n GLN 93 Ca -0.09 -0.52 -0.03 0.00 -1.83 0.00 0.00 57.00 54.53 1fhs n GLN 93 Cb 0.49 0.45 0.08 0.00 -0.86 0.00 0.00 30.24 30.40 1fhs n GLN 93 CO 0.00 0.00 0.00 1.04 -1.83 0.00 0.00 177.06 176.27 1fhs n GLN 94 N -0.13 1.08 -4.08 2.61 1.13 -1.26 -5.14 117.38 111.59 1fhs n GLN 94 Ca -0.13 -1.32 -0.10 0.00 -1.94 0.00 0.00 57.00 53.51 1fhs n GLN 94 Cb 0.51 0.31 -0.09 0.00 0.11 0.00 0.00 30.24 31.09 1fhs n GLN 94 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 1fhs s ILE 95 N -0.14 0.09 0.05 5.09 -1.09 -1.26 -4.97 121.20 118.96 1fhs s ILE 95 Ca 0.09 -1.71 -0.14 0.00 -2.23 0.00 0.00 60.65 56.66 1fhs s ILE 95 Cb 0.35 -1.97 0.02 0.00 -1.58 0.00 0.00 42.46 39.28 1fhs s ILE 95 CO -0.10 -0.39 0.31 -0.36 -1.23 0.00 0.00 174.94 173.17 1fhs s PHE 96 N -4.02 -0.11 -0.56 3.97 0.40 -1.26 -4.66 117.98 111.75 1fhs s PHE 96 Ca 0.22 -0.04 0.01 0.00 -0.60 0.00 0.00 56.93 56.51 1fhs s PHE 96 Cb 0.06 0.10 0.14 0.00 0.51 0.00 0.00 43.02 43.83 1fhs s PHE 96 CO 0.01 -0.51 0.34 -0.51 0.70 0.00 0.00 175.22 175.25 1fhs s LEU 97 N -2.10 4.80 0.00 -0.37 1.43 -0.61 -3.71 118.68 118.12 1fhs s LEU 97 Ca -0.04 -2.88 0.00 0.00 -1.03 0.00 0.00 54.13 50.18 1fhs s LEU 97 Cb -0.01 -1.75 0.00 0.00 0.03 0.00 0.00 46.19 44.47 1fhs s LEU 97 CO -0.04 -0.31 0.00 0.54 0.23 0.00 0.00 176.35 176.77 1fhs n ARG 98 N 3.37 0.00 -0.47 1.70 1.74 -1.13 -4.98 116.66 116.89 1fhs n ARG 98 Ca 0.06 0.00 0.06 0.00 -0.77 0.00 0.00 57.85 57.21 1fhs n ARG 98 Cb 0.35 0.00 -0.02 0.00 -1.02 0.00 0.00 32.46 31.78 1fhs n ARG 98 CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 1fhs n ASP 99 N 0.00 -3.30 0.00 0.55 2.03 -1.26 -2.71 116.55 111.86 1fhs n ASP 99 Ca 0.00 0.50 0.00 0.00 0.52 0.00 0.00 54.79 55.81 1fhs n ASP 99 Cb 0.00 -1.65 0.00 0.00 -0.72 0.00 0.00 41.12 38.75 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 -1.78 0.00 -3.16 5.18 0.00 -1.26 -4.26 119.36 114.09 1fhs n ILE 100 Ca 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 62.75 62.61 1fhs n ILE 100 Cb 0.21 0.00 -0.05 0.00 0.00 0.00 0.00 39.64 39.80 1fhs n ILE 100 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 176.55 174.94 1fhs s GLU 101 N -0.21 0.89 -0.39 9.51 0.41 -1.26 -5.01 118.70 122.63 1fhs s GLU 101 Ca 0.00 -1.32 -0.01 0.00 -0.41 0.00 0.00 54.97 53.23 1fhs s GLU 101 Cb 0.00 -0.67 0.11 0.00 -1.78 0.00 0.00 34.13 31.78 1fhs s GLU 101 CO 0.00 -1.31 0.16 -0.65 -0.49 0.00 0.00 175.26 172.98 1fhs s GLN 102 N 0.80 1.85 0.18 1.61 -0.21 -1.26 -4.77 119.66 117.86 1fhs s GLN 102 Ca 0.27 -1.84 0.00 0.00 0.02 0.00 0.00 55.36 53.80 1fhs s GLN 102 Cb -0.03 -3.48 0.00 0.00 1.00 0.00 0.00 33.01 30.50 1fhs s GLN 102 CO -0.09 -1.04 0.00 1.33 -2.12 0.00 0.00 175.29 173.37 1fhs n VAL 103 N 4.49 0.00 -2.13 1.09 0.24 -1.26 -5.11 118.33 115.64 1fhs n VAL 103 Ca -0.00 0.00 -0.42 0.00 -2.04 0.00 0.00 64.34 61.87 1fhs n VAL 103 Cb 0.41 0.00 -0.03 0.00 -1.47 0.00 0.00 33.84 32.76 1fhs n VAL 103 CO 0.00 0.00 0.00 -2.16 -2.14 0.00 0.00 176.83 172.53 1fhs s PRO 104 N -1.44 4.23 0.00 7.34 0.04 -1.26 -4.35 135.00 139.56 1fhs s PRO 104 Ca 0.00 2.06 0.00 0.00 0.04 0.00 0.00 61.00 63.10 1fhs s PRO 104 Cb 0.00 -3.73 0.00 0.00 0.04 0.00 0.00 34.50 30.81 1fhs s PRO 104 CO 0.00 -0.70 0.00 1.04 0.04 0.00 0.00 177.00 177.38 1fhs n GLN 105 N 6.10 0.00 -2.68 4.56 6.02 0.16 -4.80 117.38 126.74 1fhs n GLN 105 Ca 0.15 0.11 -0.05 0.00 -0.01 0.00 0.00 57.00 57.19 1fhs n GLN 105 Cb 0.43 -0.24 0.06 0.00 1.02 0.00 0.00 30.24 31.51 1fhs n GLN 105 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1fhs n GLN 106 N -0.03 0.56 0.00 -1.09 -0.00 -1.26 -5.02 117.38 110.54 1fhs n GLN 106 Ca 0.00 -1.18 0.00 0.00 -0.00 0.00 0.00 57.00 55.82 1fhs n GLN 106 Cb 0.00 -0.21 0.00 0.00 -0.00 0.00 0.00 30.24 30.03 1fhs n GLN 106 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.06 176.71 1fhs n PRO 107 N -0.17 2.99 -3.80 2.61 -0.04 -1.26 -5.06 135.00 130.27 1fhs n PRO 107 Ca -0.11 0.00 -0.13 0.00 -0.04 0.00 0.00 63.50 63.22 1fhs n PRO 107 Cb 0.73 0.00 -0.13 0.00 -0.04 0.00 0.00 33.50 34.06 1fhs n PRO 107 CO 0.00 0.00 0.00 -0.08 -0.04 0.00 0.00 175.50 175.38 1fhs s THR 108 N 0.00 -0.01 -0.24 0.52 -1.32 -1.26 -5.13 115.64 108.20 1fhs s THR 108 Ca 0.00 0.05 -0.17 0.00 -1.21 0.00 0.00 61.69 60.36 1fhs s THR 108 Cb 0.00 -0.24 -0.03 0.00 -1.51 0.00 0.00 72.50 70.72 1fhs s THR 108 CO 0.00 0.02 0.47 -0.72 -2.21 0.00 0.00 174.62 172.19 1fhs s TYR 109 N 0.42 3.30 -0.05 9.09 1.13 -1.26 -5.03 117.35 124.95 1fhs s TYR 109 Ca -0.03 0.62 -0.02 0.00 -1.41 0.00 0.00 57.07 56.23 1fhs s TYR 109 Cb -0.04 -2.66 0.03 0.00 -1.10 0.00 0.00 41.96 38.19 1fhs s TYR 109 CO -0.02 -0.20 0.08 0.54 -2.51 0.00 0.00 175.55 173.44 1fhs s VAL 110 N 2.01 -0.13 -0.13 -3.49 0.11 -1.26 -5.11 120.40 112.40 1fhs s VAL 110 Ca 0.20 0.36 -0.29 0.00 -2.93 0.00 0.00 61.98 59.32 1fhs s VAL 110 Cb -0.15 -0.17 -0.02 0.00 -1.53 0.00 0.00 36.38 34.50 1fhs s VAL 110 CO 0.09 0.15 1.33 -1.58 -3.33 0.00 0.00 175.10 171.76 1fhs s GLN 111 N 1.91 4.23 0.00 1.54 0.74 -1.26 -5.34 119.66 121.49 1fhs s GLN 111 Ca 0.01 1.76 0.00 0.00 0.05 0.00 0.00 55.36 57.18 1fhs s GLN 111 Cb -0.12 -3.79 0.00 0.00 1.10 0.00 0.00 33.01 30.20 1fhs s GLN 111 CO -0.04 -0.71 0.00 0.00 -0.55 0.00 0.00 175.29 173.99