#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 -1.22 -1.90 -0.61 3.06 -1.26 -4.54 119.36 112.88 1fhs n ILE 2 Ca 0.00 0.14 -0.28 0.00 -2.50 0.00 0.00 62.75 60.12 1fhs n ILE 2 Cb 0.00 -2.48 -0.05 0.00 0.54 0.00 0.00 39.64 37.65 1fhs n ILE 2 CO 0.00 0.00 0.00 -1.61 -2.50 0.00 0.00 176.55 172.44 1fhs s GLU 3 N -0.29 2.33 -0.38 9.51 2.02 -1.26 -4.86 118.70 125.77 1fhs s GLU 3 Ca 0.00 0.25 -0.19 0.00 0.02 0.00 0.00 54.97 55.05 1fhs s GLU 3 Cb 0.00 -4.80 0.01 0.00 0.10 0.00 0.00 34.13 29.44 1fhs s GLU 3 CO 0.00 -3.43 0.56 -1.64 0.02 0.00 0.00 175.26 170.76 1fhs s MET 4 N 7.53 3.49 -0.26 1.61 -1.94 -1.26 -4.64 119.30 123.82 1fhs s MET 4 Ca 0.77 -0.24 -0.33 0.00 -1.71 0.00 0.00 55.69 54.18 1fhs s MET 4 Cb -0.10 -3.86 0.17 0.00 2.01 0.00 0.00 34.83 33.05 1fhs s MET 4 CO 0.09 -0.77 1.32 -1.59 -0.01 0.00 0.00 175.02 174.06 1fhs s LYS 5 N 2.52 0.13 -0.32 2.03 -2.85 -1.26 -5.12 119.74 114.86 1fhs s LYS 5 Ca 0.20 -0.01 -0.41 0.00 -1.00 0.00 0.00 55.97 54.75 1fhs s LYS 5 Cb -0.15 0.06 -0.16 0.00 -2.06 0.00 0.00 37.83 35.52 1fhs s LYS 5 CO 0.15 -0.05 1.79 -2.30 0.10 0.00 0.00 175.35 175.04 1fhs n PRO 6 N 0.28 0.97 0.00 1.78 -0.02 -1.26 -4.84 135.00 131.90 1fhs n PRO 6 Ca 0.01 0.35 0.00 0.00 -2.02 0.00 0.00 63.50 61.84 1fhs n PRO 6 Cb 0.58 -2.04 0.00 0.00 -0.02 0.00 0.00 33.50 32.02 1fhs n PRO 6 CO 0.00 0.00 0.00 -2.39 1.98 0.00 0.00 175.50 175.09 1fhs n HIS 7 N 5.75 0.00 0.00 6.00 1.44 -1.26 -5.15 115.22 122.00 1fhs n HIS 7 Ca 0.30 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 56.01 1fhs n HIS 7 Cb 0.11 0.00 0.00 0.00 0.12 0.00 0.00 29.99 30.22 1fhs n HIS 7 CO 0.00 0.00 0.00 -2.30 -2.81 0.00 0.00 176.34 171.23 1fhs n PRO 8 N 0.00 0.00 -1.59 -1.40 -0.02 -1.26 -4.84 135.00 125.89 1fhs n PRO 8 Ca 0.00 0.00 0.01 0.00 -2.02 0.00 0.00 63.50 61.49 1fhs n PRO 8 Cb 0.00 0.00 0.07 0.00 -0.02 0.00 0.00 33.50 33.55 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 0.52 -3.12 6.00 -0.00 -1.26 -5.05 117.44 114.53 1fhs n TRP 9 Ca 0.00 -1.23 -0.40 0.00 -0.00 0.00 0.00 57.50 55.86 1fhs n TRP 9 Cb 0.00 -0.21 -0.06 0.00 -0.00 0.00 0.00 31.31 31.04 1fhs n TRP 9 CO 0.00 0.00 0.00 -0.06 -0.00 0.00 0.00 177.69 177.63 1fhs s PHE 10 N -1.88 3.31 -0.69 -2.67 0.08 -1.26 -3.09 117.98 111.77 1fhs s PHE 10 Ca 0.35 0.84 -0.10 0.00 0.12 0.00 0.00 56.93 58.15 1fhs s PHE 10 Cb 0.37 -2.82 0.18 0.00 -0.57 0.00 0.00 43.02 40.18 1fhs s PHE 10 CO -0.10 -0.28 0.57 -0.06 -0.10 0.00 0.00 175.22 175.26 1fhs s PHE 11 N 2.31 3.56 -0.06 0.36 0.40 -0.71 -5.00 117.98 118.84 1fhs s PHE 11 Ca 0.27 -2.18 -0.34 0.00 -0.60 0.00 0.00 56.93 54.08 1fhs s PHE 11 Cb -0.16 -3.56 -0.11 0.00 0.51 0.00 0.00 43.02 39.70 1fhs s PHE 11 CO 0.09 -0.94 1.89 0.41 0.70 0.00 0.00 175.22 177.36 1fhs n GLY 12 N 4.03 1.51 3.05 4.36 0.00 -1.26 -2.46 105.19 114.42 1fhs n GLY 12 Ca 0.07 0.85 -0.16 0.00 0.00 0.00 0.00 46.02 46.77 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 6.66 -0.92 -1.88 1.61 2.85 0.20 -4.75 118.16 121.93 1fhs n LYS 13 Ca 0.22 0.05 -0.42 0.00 -1.05 0.00 0.00 58.31 57.11 1fhs n LYS 13 Cb 0.31 -1.83 -0.03 0.00 -0.65 0.00 0.00 35.03 32.83 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 -2.75 2.44 -0.30 0.58 1.10 -1.03 -4.83 121.20 116.41 1fhs s ILE 14 Ca 0.19 0.33 -0.42 0.00 -0.51 0.00 0.00 60.65 60.24 1fhs s ILE 14 Cb -0.11 -3.21 -0.17 0.00 0.15 0.00 0.00 42.46 39.11 1fhs s ILE 14 CO 0.45 0.03 1.63 -2.65 -2.11 0.00 0.00 174.94 172.29 1fhs n PRO 15 N 3.56 0.76 -0.30 3.50 -0.02 -1.26 -4.58 135.00 136.65 1fhs n PRO 15 Ca 0.13 0.28 0.29 0.00 -2.02 0.00 0.00 63.50 62.17 1fhs n PRO 15 Cb 0.38 -1.89 0.53 0.00 -0.02 0.00 0.00 33.50 32.50 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 4.54 -0.06 0.42 -0.52 0.63 -1.26 0.13 116.66 120.54 1fhs n ARG 16 Ca 0.27 1.30 -0.17 0.00 -0.92 0.00 0.00 57.85 58.33 1fhs n ARG 16 Cb 0.08 -2.32 -0.08 0.00 0.45 0.00 0.00 32.46 30.58 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 1.88 -1.10 -0.74 5.13 0.00 -2.00 -2.46 119.26 119.97 1fhs h ALA 17 Ca 0.78 -0.24 0.14 0.00 0.00 0.00 0.00 54.91 55.59 1fhs h ALA 17 Cb 2.04 0.43 -0.14 0.00 0.00 0.00 0.00 17.79 20.11 1fhs h ALA 17 CO -0.74 -1.02 -0.23 -0.22 0.00 0.00 0.00 179.25 177.04 1fhs h LYS 18 N -1.29 -0.03 -0.81 0.00 1.63 0.70 1.05 116.57 117.81 1fhs h LYS 18 Ca -0.11 0.00 0.19 0.00 -0.85 0.00 0.00 60.65 59.88 1fhs h LYS 18 Cb 0.85 0.01 -0.14 0.00 -0.60 0.00 0.00 32.23 32.34 1fhs h LYS 18 CO 0.18 -0.02 0.04 0.00 -3.45 0.00 0.00 179.45 176.21 1fhs h ALA 19 N 1.58 0.91 -0.30 5.00 0.00 -0.35 0.61 119.26 126.71 1fhs h ALA 19 Ca 0.34 0.25 -0.01 0.00 0.00 0.00 0.00 54.91 55.49 1fhs h ALA 19 Cb 0.56 0.42 -0.01 0.00 0.00 0.00 0.00 17.79 18.76 1fhs h ALA 19 CO -0.78 -0.44 0.14 0.93 0.00 0.00 0.00 179.25 179.10 1fhs h GLU 20 N 0.11 0.44 0.00 0.00 5.08 0.15 -1.94 114.58 118.42 1fhs h GLU 20 Ca 0.46 -0.07 0.00 0.00 -1.00 0.00 0.00 59.36 58.75 1fhs h GLU 20 Cb 0.85 -0.08 0.00 0.00 0.50 0.00 0.00 28.75 30.02 1fhs h GLU 20 CO -0.70 0.43 0.00 0.39 -1.00 0.00 0.00 179.01 178.13 1fhs n GLU 21 N -4.76 0.00 -0.36 2.33 1.02 0.19 0.11 120.64 119.17 1fhs n GLU 21 Ca -0.02 0.10 0.28 0.00 -0.02 0.00 0.00 57.16 57.50 1fhs n GLU 21 Cb 0.11 -1.08 0.53 0.00 -0.02 0.00 0.00 31.44 30.98 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 0.23 -0.09 3.49 -0.00 -1.06 1.22 114.93 118.72 1fhs h MET 22 Ca 0.00 -0.01 -0.14 0.00 -0.00 0.00 0.00 59.70 59.54 1fhs h MET 22 Cb 0.00 -0.05 -0.01 0.00 -0.00 0.00 0.00 31.60 31.54 1fhs h MET 22 CO 0.00 0.15 -0.58 1.25 -0.00 0.00 0.00 176.91 177.73 1fhs h LEU 23 N 0.23 0.31 -1.05 -0.10 5.85 -1.24 -2.75 115.31 116.57 1fhs h LEU 23 Ca 0.76 -0.17 -0.09 0.00 0.84 0.00 0.00 57.88 59.22 1fhs h LEU 23 Cb 1.94 -0.09 -0.01 0.00 0.37 0.00 0.00 40.66 42.87 1fhs h LEU 23 CO -0.56 0.82 -0.42 0.28 -0.34 0.00 0.00 178.44 178.23 1fhs h SER 24 N 0.21 0.00 0.00 1.25 0.02 0.88 -3.10 113.55 112.81 1fhs h SER 24 Ca -0.00 0.00 -0.04 0.00 -0.84 0.00 0.00 61.79 60.91 1fhs h SER 24 Cb 1.08 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.60 1fhs h SER 24 CO 0.09 0.42 -0.06 0.29 -1.14 0.00 0.00 176.83 176.43 1fhs n LYS 25 N -3.76 1.05 -4.71 3.45 5.02 -0.29 -4.79 118.16 114.12 1fhs n LYS 25 Ca -0.01 -0.20 -0.33 0.00 -2.02 0.00 0.00 58.31 55.75 1fhs n LYS 25 Cb 0.49 -1.28 -0.13 0.00 -0.02 0.00 0.00 35.03 34.10 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 0.54 2.96 0.00 1.97 -1.52 -1.17 -5.04 119.66 117.39 1fhs s GLN 26 Ca 0.13 -0.62 0.00 0.00 -1.95 0.00 0.00 55.36 52.92 1fhs s GLN 26 Cb 0.06 -2.58 0.00 0.00 -0.22 0.00 0.00 33.01 30.27 1fhs s GLN 26 CO 0.00 0.48 0.22 0.54 -0.25 0.00 0.00 175.29 176.28 1fhs n ARG 27 N 2.75 0.00 0.00 2.91 1.74 -1.26 -4.93 116.66 117.87 1fhs n ARG 27 Ca -0.18 0.22 0.00 0.00 -0.77 0.00 0.00 57.85 57.12 1fhs n ARG 27 Cb 0.53 -0.69 0.00 0.00 -1.02 0.00 0.00 32.46 31.28 1fhs n ARG 27 CO 0.00 0.00 0.00 0.72 -1.52 0.00 0.00 177.63 176.83 1fhs n HIS 28 N -0.46 0.00 -3.64 -1.55 8.25 -1.26 -5.06 115.22 111.50 1fhs n HIS 28 Ca 0.00 0.00 -0.07 0.00 -0.26 0.00 0.00 57.72 57.39 1fhs n HIS 28 Cb 0.00 0.00 -0.07 0.00 1.12 0.00 0.00 29.99 31.04 1fhs n HIS 28 CO 0.00 0.00 0.00 0.34 0.64 0.00 0.00 176.34 177.32 1fhs s ASP 29 N 0.00 -0.55 0.00 0.41 2.15 -1.26 -5.06 116.67 112.36 1fhs s ASP 29 Ca 0.00 0.98 0.00 0.00 0.43 0.00 0.00 52.55 53.96 1fhs s ASP 29 Cb 0.00 1.10 0.00 0.00 -0.30 0.00 0.00 42.92 43.72 1fhs s ASP 29 CO 0.00 -0.16 0.00 0.61 -0.17 0.00 0.00 175.17 175.45 1fhs n GLY 30 N 2.97 0.56 3.46 2.66 0.00 -1.22 -4.30 105.19 109.32 1fhs n GLY 30 Ca -0.15 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.44 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 -1.47 -2.61 4.61 0.00 -1.25 -2.54 120.51 117.24 1fhs n ALA 31 Ca 0.00 0.21 -0.09 0.00 0.00 0.00 0.00 53.44 53.56 1fhs n ALA 31 Cb 0.00 -1.79 -0.07 0.00 0.00 0.00 0.00 19.45 17.59 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 -1.39 0.12 0.02 0.00 -0.71 -0.95 -2.29 117.98 112.78 1fhs s PHE 32 Ca 0.63 -0.53 -0.13 0.00 -1.04 0.00 0.00 56.93 55.85 1fhs s PHE 32 Cb -0.64 -0.02 0.02 0.00 -1.21 0.00 0.00 43.02 41.17 1fhs s PHE 32 CO 0.58 -0.57 0.28 -0.48 -1.34 0.00 0.00 175.22 173.70 1fhs s LEU 33 N -2.86 0.98 -0.27 -1.99 0.05 -1.00 -3.89 118.68 109.70 1fhs s LEU 33 Ca 0.05 -0.13 -0.01 0.00 0.05 0.00 0.00 54.13 54.09 1fhs s LEU 33 Cb 0.04 1.23 0.04 0.00 -2.05 0.00 0.00 46.19 45.46 1fhs s LEU 33 CO -0.11 -0.54 -0.05 -0.63 -0.55 0.00 0.00 176.35 174.47 1fhs s ILE 34 N -2.11 2.78 -0.18 1.48 1.01 -1.18 -0.73 121.20 122.27 1fhs s ILE 34 Ca -0.08 -1.26 -0.13 0.00 0.00 0.00 0.00 60.65 59.18 1fhs s ILE 34 Cb -0.03 -2.51 -0.05 0.00 0.01 0.00 0.00 42.46 39.89 1fhs s ILE 34 CO -0.01 0.06 0.28 0.00 0.00 0.00 0.00 174.94 175.27 1fhs s ARG 35 N 1.26 4.21 -0.41 2.79 1.70 -1.12 -1.74 118.95 125.64 1fhs s ARG 35 Ca -0.03 0.04 -0.29 0.00 -0.47 0.00 0.00 55.73 54.97 1fhs s ARG 35 Cb -0.18 -3.46 0.02 0.00 -0.57 0.00 0.00 34.95 30.76 1fhs s ARG 35 CO -0.03 0.17 1.17 -1.21 -1.08 0.00 0.00 175.30 174.31 1fhs s GLU 36 N 0.69 3.82 0.49 3.89 8.01 -1.06 -4.07 118.70 130.47 1fhs s GLU 36 Ca 0.15 0.81 -0.23 0.00 0.01 0.00 0.00 54.97 55.71 1fhs s GLU 36 Cb -0.13 -3.87 -0.07 0.00 -4.31 0.00 0.00 34.13 25.75 1fhs s GLU 36 CO 0.04 -1.24 1.32 0.43 0.01 0.00 0.00 175.26 175.82 1fhs n SER 37 N 7.66 2.65 0.00 -0.19 7.64 -1.25 0.62 113.62 130.74 1fhs n SER 37 Ca 0.13 1.04 0.00 0.00 1.01 0.00 0.00 58.87 61.04 1fhs n SER 37 Cb 0.48 -1.55 0.00 0.00 -1.01 0.00 0.00 64.21 62.13 1fhs n SER 37 CO 0.00 0.00 0.00 1.21 -3.01 0.00 0.00 175.04 173.24 1fhs n GLU 38 N -0.51 0.00 -1.95 1.43 4.07 -1.26 -4.15 120.64 118.26 1fhs n GLU 38 Ca 0.08 0.00 -0.29 0.00 -0.06 0.00 0.00 57.16 56.90 1fhs n GLU 38 Cb 0.43 -0.16 0.03 0.00 -0.06 0.00 0.00 31.44 31.67 1fhs n GLU 38 CO 0.00 0.00 0.00 0.45 -0.06 0.00 0.00 177.13 177.52 1fhs n SER 39 N 0.00 5.76 -4.94 4.31 2.88 -1.26 -5.00 113.62 115.37 1fhs n SER 39 Ca 0.00 -3.76 -0.27 0.00 -1.33 0.00 0.00 58.87 53.51 1fhs n SER 39 Cb 0.00 -0.58 -0.03 0.00 -0.75 0.00 0.00 64.21 62.85 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 -3.69 3.93 0.00 -1.46 0.00 -1.26 -5.08 121.76 114.20 1fhs s ALA 40 Ca 0.54 -0.96 0.00 0.00 0.00 0.00 0.00 51.96 51.53 1fhs s ALA 40 Cb 0.43 -1.85 0.00 0.00 0.00 0.00 0.00 23.12 21.71 1fhs s ALA 40 CO -0.07 0.52 0.00 -2.30 0.00 0.00 0.00 175.76 173.91 1fhs n PRO 41 N -0.55 0.00 -0.05 0.00 -0.02 -1.26 -3.73 135.00 129.38 1fhs n PRO 41 Ca -0.06 0.00 -0.15 0.00 -2.02 0.00 0.00 63.50 61.27 1fhs n PRO 41 Cb 0.54 0.00 -0.10 0.00 -0.02 0.00 0.00 33.50 33.92 1fhs n PRO 41 CO 0.00 0.00 0.00 0.78 1.98 0.00 0.00 175.50 178.26 1fhs h GLY 42 N 0.00 -1.03 -7.64 -1.23 0.00 -1.95 -3.48 103.07 87.74 1fhs h GLY 42 Ca 0.00 0.69 -0.69 0.00 0.00 0.00 0.00 47.33 47.32 1fhs h GLY 42 CO 0.00 -0.17 -0.61 0.99 0.00 0.00 0.00 176.54 176.75 1fhs s ASP 43 N -4.93 5.22 0.01 0.19 1.01 -1.24 -4.88 116.67 112.04 1fhs s ASP 43 Ca -0.15 -1.41 -0.19 0.00 0.71 0.00 0.00 52.55 51.51 1fhs s ASP 43 Cb 0.08 -1.83 -0.06 0.00 1.01 0.00 0.00 42.92 42.12 1fhs s ASP 43 CO 0.61 -0.38 0.53 -0.36 0.21 0.00 0.00 175.17 175.79 1fhs s PHE 44 N 1.31 3.72 -0.04 4.23 0.08 -1.25 -3.88 117.98 122.15 1fhs s PHE 44 Ca -0.00 1.14 0.02 0.00 0.12 0.00 0.00 56.93 58.21 1fhs s PHE 44 Cb -0.21 -2.49 0.01 0.00 -0.57 0.00 0.00 43.02 39.77 1fhs s PHE 44 CO 0.00 0.48 -0.07 0.45 -0.10 0.00 0.00 175.22 175.99 1fhs s SER 45 N -0.63 1.05 -0.31 1.36 0.15 -1.26 0.13 113.70 114.19 1fhs s SER 45 Ca 0.28 -0.16 -0.10 0.00 0.70 0.00 0.00 55.95 56.67 1fhs s SER 45 Cb -0.18 -0.42 -0.01 0.00 -1.71 0.00 0.00 66.02 63.70 1fhs s SER 45 CO 0.16 -0.00 0.17 -0.22 1.20 0.00 0.00 173.24 174.55 1fhs s LEU 46 N 0.59 4.19 0.09 3.45 0.20 0.48 -2.81 118.68 124.88 1fhs s LEU 46 Ca -0.09 -0.46 -0.03 0.00 0.69 0.00 0.00 54.13 54.24 1fhs s LEU 46 Cb -0.12 -2.04 -0.05 0.00 -0.43 0.00 0.00 46.19 43.55 1fhs s LEU 46 CO 0.01 -0.19 0.30 -0.44 -0.29 0.00 0.00 176.35 175.74 1fhs s SER 47 N 1.65 6.45 -0.04 3.68 0.01 0.09 0.11 113.70 125.65 1fhs s SER 47 Ca 0.05 0.47 -0.04 0.00 1.31 0.00 0.00 55.95 57.74 1fhs s SER 47 Cb -0.17 -2.04 0.01 0.00 0.21 0.00 0.00 66.02 64.03 1fhs s SER 47 CO 0.07 0.12 0.12 -0.69 0.41 0.00 0.00 173.24 173.28 1fhs s VAL 48 N -1.55 0.01 -0.59 3.43 1.01 0.12 -2.39 120.40 120.44 1fhs s VAL 48 Ca 0.37 -0.07 -0.27 0.00 0.00 0.00 0.00 61.98 62.01 1fhs s VAL 48 Cb -0.13 -0.20 -0.00 0.00 0.00 0.00 0.00 36.38 36.05 1fhs s VAL 48 CO 0.25 -0.04 1.63 -0.75 0.00 0.00 0.00 175.10 176.19 1fhs s LYS 49 N -0.07 2.99 0.00 2.72 2.20 -0.97 -0.41 119.74 126.19 1fhs s LYS 49 Ca -0.01 0.53 0.26 0.00 -0.36 0.00 0.00 55.97 56.38 1fhs s LYS 49 Cb -0.02 -4.26 0.69 0.00 -1.51 0.00 0.00 37.83 32.73 1fhs s LYS 49 CO 0.00 -2.32 1.54 0.34 -0.36 0.00 0.00 175.35 174.55 1fhs n PHE 50 N 11.04 0.00 0.00 4.03 -0.00 -0.92 -3.44 117.46 128.18 1fhs n PHE 50 Ca 0.16 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 57.61 1fhs n PHE 50 Cb 0.50 -0.26 0.00 0.00 -0.00 0.00 0.00 39.48 39.72 1fhs n PHE 50 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 1fhs n GLY 51 N 1.46 -0.99 4.40 7.13 0.00 -1.26 -4.77 105.19 111.17 1fhs n GLY 51 Ca 0.07 -1.24 0.00 0.00 0.00 0.00 0.00 46.02 44.85 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 -0.42 0.00 -2.01 1.61 5.15 -1.26 -4.78 115.26 113.54 1fhs n ASN 52 Ca 0.00 0.00 -0.05 0.00 -0.60 0.00 0.00 54.58 53.93 1fhs n ASN 52 Cb 0.00 0.00 0.01 0.00 -0.53 0.00 0.00 39.78 39.26 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 0.80 -1.26 -4.27 1.20 2.03 -1.26 -5.14 116.55 108.64 1fhs n ASP 53 Ca 0.00 -1.91 -0.34 0.00 0.52 0.00 0.00 54.79 53.06 1fhs n ASP 53 Cb 0.00 2.11 -0.15 0.00 -0.72 0.00 0.00 41.12 42.36 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 -2.51 2.97 0.40 5.18 1.01 -1.26 -2.17 120.40 124.03 1fhs s VAL 54 Ca 0.10 -0.64 -0.03 0.00 0.00 0.00 0.00 61.98 61.41 1fhs s VAL 54 Cb -0.03 -2.31 -0.04 0.00 0.00 0.00 0.00 36.38 34.00 1fhs s VAL 54 CO 0.07 0.47 0.66 -1.58 0.00 0.00 0.00 175.10 174.73 1fhs s GLN 55 N 1.23 3.54 -0.01 2.72 0.74 0.45 -4.88 119.66 123.44 1fhs s GLN 55 Ca 0.02 -0.03 -0.02 0.00 0.05 0.00 0.00 55.36 55.38 1fhs s GLN 55 Cb -0.14 -2.52 -0.00 0.00 1.10 0.00 0.00 33.01 31.45 1fhs s GLN 55 CO -0.04 -0.01 0.05 -3.38 -0.55 0.00 0.00 175.29 171.36 1fhs s HIS 56 N -2.49 0.02 -0.29 1.67 -3.43 -1.26 0.14 115.29 109.65 1fhs s HIS 56 Ca 0.44 -0.04 0.03 0.00 -0.80 0.00 0.00 55.06 54.69 1fhs s HIS 56 Cb -0.10 -0.04 0.08 0.00 -1.43 0.00 0.00 32.58 31.09 1fhs s HIS 56 CO 0.39 -0.11 -0.02 -0.06 -2.00 0.00 0.00 174.74 172.95 1fhs s PHE 57 N -0.51 3.14 -0.43 0.38 0.08 0.31 -4.89 117.98 116.07 1fhs s PHE 57 Ca -0.06 -2.43 -0.27 0.00 0.12 0.00 0.00 56.93 54.29 1fhs s PHE 57 Cb -0.04 -2.23 -0.03 0.00 -0.57 0.00 0.00 43.02 40.14 1fhs s PHE 57 CO 0.00 -0.89 2.01 0.15 -0.10 0.00 0.00 175.22 176.40 1fhs s LYS 58 N 1.13 2.84 -0.77 0.44 -0.14 -1.26 -0.38 119.74 121.59 1fhs s LYS 58 Ca 0.01 1.29 -0.26 0.00 -1.36 0.00 0.00 55.97 55.65 1fhs s LYS 58 Cb -0.19 -4.36 0.00 0.00 -1.68 0.00 0.00 37.83 31.60 1fhs s LYS 58 CO -0.08 -2.45 1.60 0.08 -0.76 0.00 0.00 175.35 173.74 1fhs s VAL 59 N 8.88 3.59 0.00 3.17 1.01 0.36 -4.63 120.40 132.77 1fhs s VAL 59 Ca 0.83 0.04 0.00 0.00 0.00 0.00 0.00 61.98 62.85 1fhs s VAL 59 Cb -0.20 -4.48 0.00 0.00 0.00 0.00 0.00 36.38 31.70 1fhs s VAL 59 CO 0.29 -1.42 0.00 0.18 0.00 0.00 0.00 175.10 174.15 1fhs n LEU 60 N 11.12 0.00 0.00 3.92 4.77 -1.07 -3.78 117.00 131.95 1fhs n LEU 60 Ca 0.19 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.17 1fhs n LEU 60 Cb 0.50 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.59 1fhs n LEU 60 CO 0.69 -0.09 0.00 -1.14 -1.33 0.00 0.00 177.39 175.51 1fhs n ARG 61 N -0.16 0.00 0.00 3.23 0.00 -1.26 -2.93 116.66 115.54 1fhs n ARG 61 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.85 1fhs n ARG 61 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32.46 32.46 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 1.52 0.00 -3.22 6.15 -0.08 -1.22 -4.79 116.55 114.91 1fhs n ASP 62 Ca 0.00 0.00 0.02 0.00 -1.51 0.00 0.00 54.79 53.30 1fhs n ASP 62 Cb 0.00 0.00 -0.02 0.00 2.34 0.00 0.00 41.12 43.44 1fhs n ASP 62 CO 0.00 0.00 0.00 -0.83 0.12 0.00 0.00 177.20 176.49 1fhs s GLY 63 N -1.50 -0.91 0.00 0.27 0.00 -1.26 -4.90 107.32 99.02 1fhs s GLY 63 Ca 0.00 1.79 0.00 0.00 0.00 0.00 0.00 44.72 46.51 1fhs s GLY 63 CO 0.00 3.27 0.00 0.00 0.00 0.00 0.00 173.10 176.37 1fhs n ALA 64 N 5.42 0.00 -2.70 3.20 0.00 -1.26 -4.98 120.51 120.19 1fhs n ALA 64 Ca -0.02 0.00 -0.01 0.00 0.00 0.00 0.00 53.44 53.41 1fhs n ALA 64 Cb 0.51 0.00 0.02 0.00 0.00 0.00 0.00 19.45 19.98 1fhs n ALA 64 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 1fhs s GLY 65 N 0.00 -1.76 0.00 0.00 0.00 -1.26 -5.16 107.32 99.14 1fhs s GLY 65 Ca 0.00 0.99 0.00 0.00 0.00 0.00 0.00 44.72 45.71 1fhs s GLY 65 CO 0.00 4.35 0.00 0.28 0.00 0.00 0.00 173.10 177.73 1fhs n LYS 66 N 3.11 0.00 -3.83 2.90 5.02 -1.26 -4.86 118.16 119.24 1fhs n LYS 66 Ca 0.08 0.00 -0.12 0.00 -2.02 0.00 0.00 58.31 56.25 1fhs n LYS 66 Cb 0.64 0.00 -0.12 0.00 -0.02 0.00 0.00 35.03 35.53 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 -0.14 -0.28 2.13 2.02 -1.19 -3.38 117.35 116.51 1fhs s TYR 67 Ca 0.00 0.34 -0.20 0.00 -0.37 0.00 0.00 57.07 56.84 1fhs s TYR 67 Cb 0.00 0.04 0.10 0.00 -0.40 0.00 0.00 41.96 41.71 1fhs s TYR 67 CO 0.00 -0.09 0.83 -0.59 -1.57 0.00 0.00 175.55 174.13 1fhs s PHE 68 N -0.04 -0.76 0.26 2.71 -0.71 -1.15 -0.12 117.98 118.18 1fhs s PHE 68 Ca -0.01 1.65 0.08 0.00 -1.04 0.00 0.00 56.93 57.61 1fhs s PHE 68 Cb -0.02 0.42 -0.05 0.00 -1.21 0.00 0.00 43.02 42.16 1fhs s PHE 68 CO 0.00 -0.37 -0.10 -0.48 -1.34 0.00 0.00 175.22 172.93 1fhs s LEU 69 N 0.92 2.54 0.00 -1.99 0.05 -1.26 -2.61 118.68 116.33 1fhs s LEU 69 Ca -0.04 -1.13 0.00 0.00 0.05 0.00 0.00 54.13 53.01 1fhs s LEU 69 Cb -0.05 -0.73 0.00 0.00 -2.05 0.00 0.00 46.19 43.36 1fhs s LEU 69 CO -0.10 -0.24 0.00 0.79 -0.55 0.00 0.00 176.35 176.25 1fhs n TRP 70 N -0.55 0.00 0.00 3.48 7.02 -1.26 -4.22 117.44 121.91 1fhs n TRP 70 Ca -0.06 0.00 0.00 0.00 -1.02 0.00 0.00 57.50 56.42 1fhs n TRP 70 Cb 0.62 0.00 0.00 0.00 -2.42 0.00 0.00 31.31 29.51 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 0.00 0.00 -1.68 -0.99 0.31 -1.26 -5.10 118.33 109.61 1fhs n VAL 71 Ca 0.00 0.00 -0.42 0.00 -0.01 0.00 0.00 64.34 63.91 1fhs n VAL 71 Cb 0.00 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 32.93 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 0.00 2.24 -0.50 2.52 0.24 -1.26 -4.97 118.33 116.59 1fhs n VAL 72 Ca 0.00 -0.50 0.00 0.00 -2.04 0.00 0.00 64.34 61.80 1fhs n VAL 72 Cb 0.00 -1.48 0.00 0.00 -1.47 0.00 0.00 33.84 30.89 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 0.35 0.23 -3.66 7.34 5.02 -1.26 -4.32 118.16 121.85 1fhs n LYS 73 Ca 0.06 0.00 -0.12 0.00 -2.02 0.00 0.00 58.31 56.23 1fhs n LYS 73 Cb 0.37 0.00 -0.08 0.00 -0.02 0.00 0.00 35.03 35.30 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 -0.59 -0.76 -1.49 2.13 0.08 0.83 -4.92 117.98 113.26 1fhs s PHE 74 Ca 0.00 1.72 0.08 0.00 0.12 0.00 0.00 56.93 58.85 1fhs s PHE 74 Cb 0.00 0.33 0.43 0.00 -0.57 0.00 0.00 43.02 43.21 1fhs s PHE 74 CO 0.00 -0.37 1.12 0.27 -0.10 0.00 0.00 175.22 176.13 1fhs n ASN 75 N 3.30 0.00 0.00 1.36 6.94 -1.26 -3.19 115.26 122.41 1fhs n ASN 75 Ca -0.16 0.12 0.00 0.00 -0.02 0.00 0.00 54.58 54.52 1fhs n ASN 75 Cb 0.56 -0.26 0.00 0.00 -2.36 0.00 0.00 39.78 37.73 1fhs n ASN 75 CO 0.00 0.00 0.00 -1.54 -1.03 0.00 0.00 177.26 174.69 1fhs n SER 76 N -1.26 0.00 -0.32 0.53 3.41 -1.26 -4.93 113.62 109.80 1fhs n SER 76 Ca 0.04 0.00 0.17 0.00 -0.26 0.00 0.00 58.87 58.83 1fhs n SER 76 Cb 0.06 0.00 0.37 0.00 -0.26 0.00 0.00 64.21 64.38 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 0.24 -0.96 1.04 3.38 -1.96 1.21 115.31 118.25 1fhs h LEU 77 Ca 0.00 0.19 0.04 0.00 0.09 0.00 0.00 57.88 58.20 1fhs h LEU 77 Cb 0.00 0.20 -0.06 0.00 0.09 0.00 0.00 40.66 40.90 1fhs h LEU 77 CO 0.00 -0.13 0.63 -1.13 0.09 0.00 0.00 178.44 177.89 1fhs h ASN 78 N 0.27 1.04 0.15 -0.43 -0.00 -1.97 0.33 115.58 114.97 1fhs h ASN 78 Ca 0.63 -0.01 -0.03 0.00 -0.00 0.00 0.00 56.30 56.89 1fhs h ASN 78 Cb 1.34 -0.23 -0.01 0.00 -0.00 0.00 0.00 38.32 39.42 1fhs h ASN 78 CO -0.63 0.70 -0.15 -0.08 -0.00 0.00 0.00 177.43 177.27 1fhs h GLU 79 N 1.20 0.01 0.44 6.67 4.57 0.11 1.16 114.58 128.73 1fhs h GLU 79 Ca 0.39 -0.00 -0.02 0.00 -1.18 0.00 0.00 59.36 58.55 1fhs h GLU 79 Cb 0.03 -0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.63 1fhs h GLU 79 CO -0.13 0.17 -0.21 1.25 -1.18 0.00 0.00 179.01 178.91 1fhs h LEU 80 N 0.01 -0.50 -1.80 1.64 6.46 0.07 0.52 115.31 121.71 1fhs h LEU 80 Ca 0.00 0.02 0.38 0.00 -0.12 0.00 0.00 57.88 58.16 1fhs h LEU 80 Cb 0.28 0.13 -0.07 0.00 -0.73 0.00 0.00 40.66 40.27 1fhs h LEU 80 CO 0.02 -0.07 0.91 0.58 -0.62 0.00 0.00 178.44 179.27 1fhs h VAL 81 N -1.16 0.32 0.21 1.05 2.07 -0.10 0.43 116.25 119.07 1fhs h VAL 81 Ca -0.06 -0.03 -0.27 0.00 0.82 0.00 0.00 66.70 67.16 1fhs h VAL 81 Cb 0.45 0.23 0.03 0.00 -1.52 0.00 0.00 31.29 30.48 1fhs h VAL 81 CO 0.10 0.02 -1.18 0.44 0.02 0.00 0.00 177.57 176.96 1fhs h ASP 82 N 0.08 0.68 -0.90 0.57 3.32 0.15 -3.20 116.42 117.12 1fhs h ASP 82 Ca 0.67 -0.94 0.02 0.00 0.02 0.00 0.00 57.03 56.80 1fhs h ASP 82 Cb 2.42 -0.22 -0.05 0.00 0.22 0.00 0.00 39.33 41.70 1fhs h ASP 82 CO -0.12 1.57 0.59 0.22 -1.72 0.00 0.00 179.24 179.79 1fhs h TYR 83 N -0.09 1.12 -0.52 4.55 3.20 0.41 0.07 116.97 125.71 1fhs h TYR 83 Ca -0.21 0.03 -0.35 0.00 3.14 0.00 0.00 58.73 61.34 1fhs h TYR 83 Cb 1.93 -0.38 -0.15 0.00 1.54 0.00 0.00 36.73 39.67 1fhs h TYR 83 CO 0.16 0.69 0.45 0.72 -1.64 0.00 0.00 178.16 178.55 1fhs n HIS 84 N -4.47 1.68 -0.22 -3.82 8.25 0.85 -3.76 115.22 113.73 1fhs n HIS 84 Ca 0.10 -2.03 0.00 0.00 -0.26 0.00 0.00 57.72 55.53 1fhs n HIS 84 Cb 0.03 -0.99 0.00 0.00 1.12 0.00 0.00 29.99 30.16 1fhs n HIS 84 CO 0.00 0.00 0.00 -2.13 0.64 0.00 0.00 176.34 174.85 1fhs n ARG 85 N 0.22 -0.53 -0.06 -0.41 0.63 0.01 -3.70 116.66 112.83 1fhs n ARG 85 Ca 0.33 -0.46 -0.22 0.00 -0.92 0.00 0.00 57.85 56.58 1fhs n ARG 85 Cb 0.60 -0.89 -0.13 0.00 0.45 0.00 0.00 32.46 32.50 1fhs n ARG 85 CO 0.00 0.00 0.00 0.77 -2.51 0.00 0.00 177.63 175.89 1fhs h SER 86 N 0.00 0.18 -0.96 6.15 0.02 -1.69 -3.47 113.55 113.79 1fhs h SER 86 Ca 0.00 -0.69 0.18 0.00 -0.84 0.00 0.00 61.79 60.43 1fhs h SER 86 Cb 0.15 -0.06 -0.24 0.00 0.14 0.00 0.00 62.40 62.39 1fhs h SER 86 CO 0.00 1.65 0.21 0.28 -1.14 0.00 0.00 176.83 177.83 1fhs s THR 87 N -2.45 -0.50 0.41 -2.27 -1.32 -1.26 -5.12 115.64 103.13 1fhs s THR 87 Ca -0.26 0.00 0.00 0.00 -1.21 0.00 0.00 61.69 60.22 1fhs s THR 87 Cb 0.06 -1.00 0.00 0.00 -1.51 0.00 0.00 72.50 70.05 1fhs s THR 87 CO 0.67 0.00 0.00 -0.24 -2.21 0.00 0.00 174.62 172.84 1fhs n SER 88 N 5.01 -6.51 -2.74 8.08 2.88 -1.01 -4.92 113.62 114.41 1fhs n SER 88 Ca -0.09 1.10 -0.03 0.00 -1.33 0.00 0.00 58.87 58.53 1fhs n SER 88 Cb 0.53 -3.40 0.08 0.00 -0.75 0.00 0.00 64.21 60.66 1fhs n SER 88 CO 0.00 0.00 0.00 0.55 -1.23 0.00 0.00 175.04 174.36 1fhs n VAL 89 N -1.45 0.73 0.00 2.46 3.14 0.41 -4.69 118.33 118.92 1fhs n VAL 89 Ca 0.00 -2.26 0.00 0.00 -2.96 0.00 0.00 64.34 59.12 1fhs n VAL 89 Cb 0.13 1.07 0.00 0.00 -1.06 0.00 0.00 33.84 33.99 1fhs n VAL 89 CO 0.00 0.00 0.00 -0.24 -6.46 0.00 0.00 176.83 170.13 1fhs n SER 90 N -0.76 0.00 0.00 6.55 2.88 -1.26 -4.76 113.62 116.27 1fhs n SER 90 Ca -0.01 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.53 1fhs n SER 90 Cb 0.83 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.29 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 0.00 0.32 -1.46 1.74 -1.26 -1.53 116.66 114.47 1fhs n ARG 91 Ca 0.00 0.07 -0.15 0.00 -0.77 0.00 0.00 57.85 56.99 1fhs n ARG 91 Cb 0.00 -1.50 -0.08 0.00 -1.02 0.00 0.00 32.46 29.86 1fhs n ARG 91 CO 0.00 0.00 0.00 -0.91 -1.52 0.00 0.00 177.63 175.20 1fhs h ASN 92 N 0.00 -0.71 0.00 0.55 2.35 -2.04 -3.42 115.58 112.31 1fhs h ASN 92 Ca 0.00 -0.02 -0.14 0.00 -0.55 0.00 0.00 56.30 55.59 1fhs h ASN 92 Cb 0.01 0.18 -0.12 0.00 0.05 0.00 0.00 38.32 38.43 1fhs h ASN 92 CO 0.00 -0.36 -0.22 0.00 -1.65 0.00 0.00 177.43 175.20 1fhs n GLN 93 N -5.36 1.11 -1.78 0.81 10.64 -1.08 -5.12 117.38 116.59 1fhs n GLN 93 Ca -0.12 -0.99 0.00 0.00 -1.83 0.00 0.00 57.00 54.06 1fhs n GLN 93 Cb 0.36 0.36 0.00 0.00 -0.86 0.00 0.00 30.24 30.09 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 -1.26 -4.89 -3.84 2.61 6.02 -0.59 -5.04 117.38 110.40 1fhs n GLN 94 Ca -0.15 3.52 -0.12 0.00 -0.01 0.00 0.00 57.00 60.24 1fhs n GLN 94 Cb 0.81 -3.83 -0.13 0.00 1.02 0.00 0.00 30.24 28.11 1fhs n GLN 94 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 1fhs s ILE 95 N -1.46 0.01 0.04 5.09 1.01 -1.26 -4.82 121.20 119.81 1fhs s ILE 95 Ca 0.00 -0.07 0.05 0.00 0.00 0.00 0.00 60.65 60.63 1fhs s ILE 95 Cb 0.00 -0.18 -0.04 0.00 0.01 0.00 0.00 42.46 42.25 1fhs s ILE 95 CO 0.00 -0.04 -0.08 -0.36 0.00 0.00 0.00 174.94 174.46 1fhs s PHE 96 N -0.07 2.83 -0.28 3.97 0.08 -1.26 0.15 117.98 123.41 1fhs s PHE 96 Ca -0.01 -0.09 -0.20 0.00 0.12 0.00 0.00 56.93 56.75 1fhs s PHE 96 Cb -0.01 -1.54 -0.02 0.00 -0.57 0.00 0.00 43.02 40.88 1fhs s PHE 96 CO 0.00 0.39 0.62 -0.51 -0.10 0.00 0.00 175.22 175.62 1fhs s LEU 97 N -1.73 4.09 0.07 -0.37 1.43 -1.24 -4.12 118.68 116.82 1fhs s LEU 97 Ca 0.19 0.59 0.09 0.00 -1.03 0.00 0.00 54.13 53.96 1fhs s LEU 97 Cb -0.11 -2.83 -0.03 0.00 0.03 0.00 0.00 46.19 43.25 1fhs s LEU 97 CO 0.10 -0.41 -0.24 -0.13 0.23 0.00 0.00 176.35 175.90 1fhs s ARG 98 N 2.54 1.47 0.02 1.70 0.52 -1.05 -4.94 118.95 119.20 1fhs s ARG 98 Ca 0.26 -1.13 -0.33 0.00 -0.52 0.00 0.00 55.73 54.01 1fhs s ARG 98 Cb -0.15 -1.72 -0.11 0.00 0.52 0.00 0.00 34.95 33.49 1fhs s ARG 98 CO 0.10 0.43 1.85 -0.25 0.02 0.00 0.00 175.30 177.44 1fhs n ASP 99 N 1.48 3.68 0.00 0.23 8.00 -1.26 -2.23 116.55 126.44 1fhs n ASP 99 Ca -0.18 0.98 0.00 0.00 0.71 0.00 0.00 54.79 56.30 1fhs n ASP 99 Cb 0.53 -1.45 0.00 0.00 -0.02 0.00 0.00 41.12 40.18 1fhs n ASP 99 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1fhs n ILE 100 N 4.89 0.00 -3.02 0.53 3.06 -1.25 -4.78 119.36 118.79 1fhs n ILE 100 Ca 0.20 0.00 -0.43 0.00 -2.50 0.00 0.00 62.75 60.02 1fhs n ILE 100 Cb 0.33 0.00 -0.06 0.00 0.54 0.00 0.00 39.64 40.46 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 0.00 3.31 -0.37 9.51 2.02 -1.26 -4.98 118.70 126.93 1fhs s GLU 101 Ca 0.00 -0.33 -0.08 0.00 0.02 0.00 0.00 54.97 54.58 1fhs s GLU 101 Cb 0.00 -3.99 0.05 0.00 0.10 0.00 0.00 34.13 30.30 1fhs s GLU 101 CO 0.00 -1.16 0.17 -0.65 0.02 0.00 0.00 175.26 173.64 1fhs s GLN 102 N 3.15 2.61 0.08 1.61 1.11 -1.26 -4.98 119.66 121.98 1fhs s GLN 102 Ca 0.25 -1.28 -0.25 0.00 0.01 0.00 0.00 55.36 54.09 1fhs s GLN 102 Cb -0.14 -3.59 -0.10 0.00 -1.01 0.00 0.00 33.01 28.17 1fhs s GLN 102 CO 0.19 -0.77 1.40 -0.39 0.01 0.00 0.00 175.29 175.73 1fhs h VAL 103 N 6.12 0.00 -1.35 1.09 -1.51 -1.99 -3.41 116.25 115.20 1fhs h VAL 103 Ca -0.23 0.00 -0.74 0.00 -1.23 0.00 0.00 66.70 64.50 1fhs h VAL 103 Cb 1.08 0.00 0.05 0.00 -2.13 0.00 0.00 31.29 30.29 1fhs h VAL 103 CO 0.66 0.00 0.34 -2.65 -1.23 0.00 0.00 177.57 174.69 1fhs n PRO 104 N -4.64 0.61 0.00 5.19 -0.02 -1.26 -4.71 135.00 130.17 1fhs n PRO 104 Ca -0.05 0.22 0.00 0.00 -2.02 0.00 0.00 63.50 61.65 1fhs n PRO 104 Cb 0.28 -1.80 0.00 0.00 -0.02 0.00 0.00 33.50 31.96 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 2.40 0.00 -4.24 -0.52 6.02 -1.26 -4.90 117.38 114.88 1fhs n GLN 105 Ca 0.20 0.00 -0.20 0.00 -0.01 0.00 0.00 57.00 56.99 1fhs n GLN 105 Cb 0.13 0.00 -0.12 0.00 1.02 0.00 0.00 30.24 31.27 1fhs n GLN 105 CO 0.00 0.00 0.00 -0.65 -1.01 0.00 0.00 177.06 175.40 1fhs s GLN 106 N -2.97 1.01 0.00 -1.09 -1.52 -1.26 -5.01 119.66 108.82 1fhs s GLN 106 Ca 0.00 -1.13 0.00 0.00 -1.95 0.00 0.00 55.36 52.28 1fhs s GLN 106 Cb 0.00 -1.08 0.00 0.00 -0.22 0.00 0.00 33.01 31.71 1fhs s GLN 106 CO 0.00 0.24 0.00 -0.35 -0.25 0.00 0.00 175.29 174.93 1fhs n PRO 107 N 0.95 3.08 -3.55 2.91 -0.04 -1.26 -5.00 135.00 132.09 1fhs n PRO 107 Ca -0.19 0.00 -0.01 0.00 -0.04 0.00 0.00 63.50 63.26 1fhs n PRO 107 Cb 0.55 0.00 -0.05 0.00 -0.04 0.00 0.00 33.50 33.95 1fhs n PRO 107 CO 0.00 0.00 0.00 0.99 -0.04 0.00 0.00 175.50 176.45 1fhs s THR 108 N 0.00 -0.30 -0.29 0.52 2.01 -1.26 -5.04 115.64 111.28 1fhs s THR 108 Ca 0.00 0.00 0.07 0.00 0.31 0.00 0.00 61.69 62.07 1fhs s THR 108 Cb 0.00 -1.00 0.27 0.00 0.01 0.00 0.00 72.50 71.78 1fhs s THR 108 CO 0.00 0.00 1.22 0.00 -0.69 0.00 0.00 174.62 175.15 1fhs n TYR 109 N 4.43 -1.50 -3.07 4.92 9.36 -1.26 -5.11 117.16 124.93 1fhs n TYR 109 Ca -0.14 -1.28 -0.41 0.00 3.32 0.00 0.00 57.90 59.39 1fhs n TYR 109 Cb 0.55 1.33 -0.06 0.00 -0.63 0.00 0.00 39.34 40.53 1fhs n TYR 109 CO 0.00 0.00 0.00 0.54 0.22 0.00 0.00 176.86 177.62 1fhs s VAL 110 N 0.11 4.97 -0.26 2.97 0.11 -1.26 -4.96 120.40 122.08 1fhs s VAL 110 Ca 0.10 1.26 -0.40 0.00 -2.93 0.00 0.00 61.98 60.01 1fhs s VAL 110 Cb 0.28 -3.98 -0.16 0.00 -1.53 0.00 0.00 36.38 31.00 1fhs s VAL 110 CO -0.07 0.06 1.73 0.00 -3.33 0.00 0.00 175.10 173.48 1fhs n GLN 111 N 5.38 1.17 -0.19 1.54 6.02 -1.26 -5.34 117.38 124.71 1fhs n GLN 111 Ca 0.00 0.43 0.00 0.00 -0.01 0.00 0.00 57.00 57.42 1fhs n GLN 111 Cb 0.49 -2.11 0.00 0.00 1.02 0.00 0.00 30.24 29.64 1fhs n GLN 111 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05