#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 0.19 -2.02 -0.61 0.13 -1.26 -4.80 119.36 110.99 1fhs n ILE 2 Ca 0.00 -0.03 -0.38 0.00 -1.10 0.00 0.00 62.75 61.24 1fhs n ILE 2 Cb 0.00 -0.98 0.03 0.00 -0.84 0.00 0.00 39.64 37.86 1fhs n ILE 2 CO 0.00 0.00 0.00 -0.62 2.80 0.00 0.00 176.55 178.73 1fhs n GLU 3 N 4.46 2.88 -4.05 9.51 -0.58 -1.26 -4.89 120.64 126.71 1fhs n GLU 3 Ca 0.25 -3.70 -0.31 0.00 -0.42 0.00 0.00 57.16 52.98 1fhs n GLU 3 Cb 0.11 -2.27 -0.16 0.00 -0.57 0.00 0.00 31.44 28.55 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 -3.98 2.32 -0.27 3.49 1.75 -1.26 -4.63 119.30 116.72 1fhs s MET 4 Ca 0.51 -0.96 -0.32 0.00 -1.25 0.00 0.00 55.69 53.68 1fhs s MET 4 Cb 0.43 -2.56 0.17 0.00 2.84 0.00 0.00 34.83 35.71 1fhs s MET 4 CO -0.38 -0.40 1.32 -1.59 -0.65 0.00 0.00 175.02 173.32 1fhs s LYS 5 N 1.30 0.12 0.16 4.11 0.00 -1.26 -5.14 119.74 119.03 1fhs s LYS 5 Ca -0.01 0.00 -0.31 0.00 0.00 0.00 0.00 55.97 55.64 1fhs s LYS 5 Cb -0.16 0.06 -0.17 0.00 0.00 0.00 0.00 37.83 37.55 1fhs s LYS 5 CO -0.09 -0.04 0.81 -2.30 0.00 0.00 0.00 175.35 173.73 1fhs n PRO 6 N 0.35 0.36 -3.18 1.78 -0.02 -1.26 -4.39 135.00 128.65 1fhs n PRO 6 Ca 0.00 0.13 -0.38 0.00 -2.02 0.00 0.00 63.50 61.23 1fhs n PRO 6 Cb 0.58 -1.37 -0.06 0.00 -0.02 0.00 0.00 33.50 32.63 1fhs n PRO 6 CO 0.00 0.00 0.00 -1.01 1.98 0.00 0.00 175.50 176.47 1fhs s HIS 7 N -0.64 3.77 0.00 6.00 0.09 -1.26 -5.19 115.29 118.06 1fhs s HIS 7 Ca 0.71 1.35 0.00 0.00 -0.00 0.00 0.00 55.06 57.12 1fhs s HIS 7 Cb -0.96 -2.57 0.00 0.00 -0.00 0.00 0.00 32.58 29.05 1fhs s HIS 7 CO 0.56 0.50 0.00 -0.35 -0.00 0.00 0.00 174.74 175.45 1fhs n PRO 8 N 1.35 0.00 -0.13 8.40 -0.04 -1.26 -4.71 135.00 138.61 1fhs n PRO 8 Ca -0.07 0.00 0.02 0.00 -0.04 0.00 0.00 63.50 63.41 1fhs n PRO 8 Cb 0.50 0.00 0.07 0.00 -0.04 0.00 0.00 33.50 34.04 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 0.32 -3.34 0.54 4.27 -1.26 -4.81 117.44 113.16 1fhs n TRP 9 Ca 0.00 -0.12 -0.38 0.00 -3.89 0.00 0.00 57.50 53.11 1fhs n TRP 9 Cb 0.00 -0.11 -0.07 0.00 -1.36 0.00 0.00 31.31 29.77 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 -1.51 3.38 -0.13 -2.67 5.36 -1.26 -3.10 117.98 118.05 1fhs s PHE 10 Ca 0.10 0.68 -0.01 0.00 -0.96 0.00 0.00 56.93 56.74 1fhs s PHE 10 Cb 0.07 -2.58 0.03 0.00 -0.34 0.00 0.00 43.02 40.20 1fhs s PHE 10 CO 0.04 -0.04 -0.06 -0.06 -1.46 0.00 0.00 175.22 173.65 1fhs s PHE 11 N 1.40 1.47 -4.46 10.12 0.40 -1.14 -4.80 117.98 120.97 1fhs s PHE 11 Ca 0.21 -0.80 0.00 0.00 -0.60 0.00 0.00 56.93 55.74 1fhs s PHE 11 Cb -0.15 -1.22 0.00 0.00 0.51 0.00 0.00 43.02 42.16 1fhs s PHE 11 CO 0.09 -0.53 0.00 0.41 0.70 0.00 0.00 175.22 175.88 1fhs n GLY 12 N 4.94 0.93 3.62 4.36 0.00 -1.26 -3.04 105.19 114.74 1fhs n GLY 12 Ca -0.12 -1.93 -0.45 0.00 0.00 0.00 0.00 46.02 43.52 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 2.17 -4.23 1.61 0.00 -1.25 -4.88 118.16 111.59 1fhs n LYS 13 Ca 0.00 0.73 -0.35 0.00 -0.00 0.00 0.00 58.31 58.69 1fhs n LYS 13 Cb 0.00 -2.91 -0.10 0.00 -0.00 0.00 0.00 35.03 32.02 1fhs n LYS 13 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 177.40 175.90 1fhs s ILE 14 N 5.88 4.43 -0.26 0.58 1.10 -1.24 -4.97 121.20 126.71 1fhs s ILE 14 Ca 0.96 -0.18 -0.41 0.00 -0.51 0.00 0.00 60.65 60.51 1fhs s ILE 14 Cb -0.53 -2.93 -0.17 0.00 0.15 0.00 0.00 42.46 38.98 1fhs s ILE 14 CO 0.44 0.53 1.64 -2.65 -2.11 0.00 0.00 174.94 172.78 1fhs n PRO 15 N 2.99 0.90 -0.33 3.50 -0.02 -1.26 -4.73 135.00 136.05 1fhs n PRO 15 Ca -0.18 0.33 0.24 0.00 -2.02 0.00 0.00 63.50 61.87 1fhs n PRO 15 Cb 0.53 -1.97 0.47 0.00 -0.02 0.00 0.00 33.50 32.51 1fhs n PRO 15 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1fhs h ARG 16 N 6.31 0.17 0.74 -0.52 3.08 -1.97 0.35 114.38 122.53 1fhs h ARG 16 Ca -0.46 -0.01 -0.04 0.00 0.07 0.00 0.00 59.98 59.54 1fhs h ARG 16 Cb 1.33 -0.04 0.01 0.00 0.08 0.00 0.00 29.97 31.35 1fhs h ARG 16 CO 0.93 0.11 -0.35 0.00 -1.07 0.00 0.00 179.97 179.59 1fhs h ALA 17 N 1.90 -1.13 -0.94 0.04 0.00 -2.00 -2.49 119.26 114.64 1fhs h ALA 17 Ca 0.74 -0.22 0.28 0.00 0.00 0.00 0.00 54.91 55.71 1fhs h ALA 17 Cb 1.75 0.38 -0.16 0.00 0.00 0.00 0.00 17.79 19.76 1fhs h ALA 17 CO -0.69 -1.06 0.23 -0.22 0.00 0.00 0.00 179.25 177.51 1fhs h LYS 18 N -1.11 0.12 -0.11 0.00 1.63 -0.89 0.65 116.57 116.85 1fhs h LYS 18 Ca -0.10 -0.01 0.02 0.00 -0.85 0.00 0.00 60.65 59.72 1fhs h LYS 18 Cb 0.76 -0.03 -0.05 0.00 -0.60 0.00 0.00 32.23 32.31 1fhs h LYS 18 CO 0.17 0.08 -0.41 0.00 -3.45 0.00 0.00 179.45 175.84 1fhs h ALA 19 N 1.88 -0.77 -0.25 5.00 0.00 -0.32 -1.45 119.26 123.35 1fhs h ALA 19 Ca 0.62 -0.04 0.03 0.00 0.00 0.00 0.00 54.91 55.52 1fhs h ALA 19 Cb 1.35 0.91 -0.04 0.00 0.00 0.00 0.00 17.79 20.00 1fhs h ALA 19 CO -0.75 -0.92 -0.28 0.93 0.00 0.00 0.00 179.25 178.22 1fhs h GLU 20 N -0.43 -0.16 0.00 0.00 5.08 0.63 0.30 114.58 120.00 1fhs h GLU 20 Ca 0.03 0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.40 1fhs h GLU 20 Cb 0.50 0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.79 1fhs h GLU 20 CO -0.33 -0.11 0.00 0.39 -1.00 0.00 0.00 179.01 177.96 1fhs n GLU 21 N -4.05 0.00 -0.14 2.33 1.02 0.28 0.11 120.64 120.18 1fhs n GLU 21 Ca -0.01 0.19 -0.05 0.00 -0.02 0.00 0.00 57.16 57.26 1fhs n GLU 21 Cb 0.16 -0.63 0.01 0.00 -0.02 0.00 0.00 31.44 30.97 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 -0.14 -0.27 3.49 -0.00 -1.32 0.73 114.93 117.42 1fhs h MET 22 Ca 0.00 0.01 0.08 0.00 -0.00 0.00 0.00 59.70 59.79 1fhs h MET 22 Cb 0.00 0.03 -0.01 0.00 -0.00 0.00 0.00 31.60 31.62 1fhs h MET 22 CO 0.00 -0.09 0.53 1.25 -0.00 0.00 0.00 176.91 178.60 1fhs h LEU 23 N -0.14 0.00 0.07 -0.10 5.85 0.36 0.89 115.31 122.24 1fhs h LEU 23 Ca 0.22 0.00 -0.27 0.00 0.84 0.00 0.00 57.88 58.66 1fhs h LEU 23 Cb 0.48 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 41.49 1fhs h LEU 23 CO -0.55 0.00 -1.39 0.77 -0.34 0.00 0.00 178.44 176.93 1fhs h SER 24 N 0.00 0.22 -1.04 1.25 4.64 0.72 -3.18 113.55 116.16 1fhs h SER 24 Ca 0.13 -0.29 0.30 0.00 -0.47 0.00 0.00 61.79 61.46 1fhs h SER 24 Cb 1.19 -0.07 -0.04 0.00 -0.31 0.00 0.00 62.40 63.16 1fhs h SER 24 CO -0.00 1.24 1.11 0.07 -0.87 0.00 0.00 176.83 178.39 1fhs h LYS 25 N 0.04 0.00 -6.97 4.77 2.10 0.16 -3.42 116.57 113.25 1fhs h LYS 25 Ca -0.18 0.00 -0.52 0.00 -2.00 0.00 0.00 60.65 57.96 1fhs h LYS 25 Cb 1.94 0.00 0.21 0.00 -0.90 0.00 0.00 32.23 33.49 1fhs h LYS 25 CO 0.14 0.00 -0.29 1.04 -2.00 0.00 0.00 179.45 178.34 1fhs n GLN 26 N -3.41 -0.61 -0.01 0.07 1.13 -1.19 -4.98 117.38 108.39 1fhs n GLN 26 Ca 0.23 -0.13 -0.01 0.00 -1.94 0.00 0.00 57.00 55.15 1fhs n GLN 26 Cb 1.44 -2.05 -0.01 0.00 0.11 0.00 0.00 30.24 29.73 1fhs n GLN 26 CO 0.00 0.00 0.00 0.54 -1.44 0.00 0.00 177.06 176.16 1fhs n ARG 27 N -2.86 0.03 -2.97 -1.09 3.00 -1.26 -4.95 116.66 106.55 1fhs n ARG 27 Ca 0.08 0.01 -0.43 0.00 -0.01 0.00 0.00 57.85 57.50 1fhs n ARG 27 Cb 0.54 -0.93 -0.05 0.00 0.00 0.00 0.00 32.46 32.01 1fhs n ARG 27 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.63 176.62 1fhs s HIS 28 N -2.03 2.94 -0.09 -1.55 3.76 -1.26 -4.98 115.29 112.10 1fhs s HIS 28 Ca -0.02 -0.05 -0.38 0.00 -0.15 0.00 0.00 55.06 54.46 1fhs s HIS 28 Cb 0.01 -3.74 -0.16 0.00 1.11 0.00 0.00 32.58 29.79 1fhs s HIS 28 CO 0.03 -1.10 1.52 -3.47 -0.85 0.00 0.00 174.74 170.86 1fhs n ASP 29 N 6.81 1.92 0.00 1.40 -0.08 -1.26 -3.04 116.55 122.30 1fhs n ASP 29 Ca 0.00 1.10 0.00 0.00 -1.51 0.00 0.00 54.79 54.38 1fhs n ASP 29 Cb 0.47 -1.16 0.00 0.00 2.34 0.00 0.00 41.12 42.78 1fhs n ASP 29 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1fhs n GLY 30 N 3.25 1.40 3.55 0.27 0.00 -0.48 -4.31 105.19 108.88 1fhs n GLY 30 Ca 0.22 0.00 -0.46 0.00 0.00 0.00 0.00 46.02 45.78 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 -0.87 -2.59 4.61 0.00 -1.17 -2.73 120.51 117.77 1fhs n ALA 31 Ca 0.00 0.42 -0.09 0.00 0.00 0.00 0.00 53.44 53.77 1fhs n ALA 31 Cb 0.00 -1.95 -0.09 0.00 0.00 0.00 0.00 19.45 17.41 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 -0.83 0.27 0.00 0.00 -0.71 -1.12 -2.27 117.98 113.33 1fhs s PHE 32 Ca 0.63 -0.64 -0.11 0.00 -1.04 0.00 0.00 56.93 55.78 1fhs s PHE 32 Cb -0.78 -0.19 0.01 0.00 -1.21 0.00 0.00 43.02 40.84 1fhs s PHE 32 CO 0.57 -0.37 0.21 -0.48 -1.34 0.00 0.00 175.22 173.82 1fhs s LEU 33 N -2.32 1.25 -0.35 -1.99 0.05 -0.92 -4.02 118.68 110.38 1fhs s LEU 33 Ca -0.02 -0.13 -0.05 0.00 0.05 0.00 0.00 54.13 53.98 1fhs s LEU 33 Cb 0.01 0.95 0.06 0.00 -2.05 0.00 0.00 46.19 45.16 1fhs s LEU 33 CO -0.06 -0.44 0.11 -0.63 -0.55 0.00 0.00 176.35 174.78 1fhs s ILE 34 N -1.60 3.56 -0.05 1.48 1.01 -1.18 -0.16 121.20 124.25 1fhs s ILE 34 Ca -0.12 -1.34 -0.16 0.00 0.00 0.00 0.00 60.65 59.02 1fhs s ILE 34 Cb -0.05 -3.09 -0.05 0.00 0.01 0.00 0.00 42.46 39.27 1fhs s ILE 34 CO 0.02 -0.26 0.43 0.00 0.00 0.00 0.00 174.94 175.13 1fhs s ARG 35 N 1.33 4.11 -0.14 2.79 1.70 -1.15 -2.87 118.95 124.73 1fhs s ARG 35 Ca -0.01 0.42 -0.18 0.00 -0.47 0.00 0.00 55.73 55.49 1fhs s ARG 35 Cb -0.20 -3.31 -0.04 0.00 -0.57 0.00 0.00 34.95 30.83 1fhs s ARG 35 CO 0.01 0.47 0.49 -1.83 -1.08 0.00 0.00 175.30 173.36 1fhs s GLU 36 N -0.38 4.30 0.00 3.89 -1.05 -1.17 -3.54 118.70 120.75 1fhs s GLU 36 Ca 0.24 0.45 0.00 0.00 -0.15 0.00 0.00 54.97 55.51 1fhs s GLU 36 Cb -0.16 -3.47 0.00 0.00 -0.44 0.00 0.00 34.13 30.06 1fhs s GLU 36 CO 0.12 0.07 0.00 0.43 0.95 0.00 0.00 175.26 176.83 1fhs n SER 37 N 3.99 -0.77 0.00 0.83 7.64 -1.15 -3.82 113.62 120.34 1fhs n SER 37 Ca -0.06 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.82 1fhs n SER 37 Cb 0.51 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.71 1fhs n SER 37 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 1fhs n GLU 38 N -0.77 0.00 -1.30 1.43 4.71 -1.26 -4.47 120.64 118.99 1fhs n GLU 38 Ca 0.00 0.00 -0.27 0.00 -0.01 0.00 0.00 57.16 56.88 1fhs n GLU 38 Cb 0.00 0.00 0.03 0.00 -1.01 0.00 0.00 31.44 30.46 1fhs n GLU 38 CO 0.00 0.00 0.00 0.45 0.09 0.00 0.00 177.13 177.67 1fhs n SER 39 N 0.00 6.98 -3.48 1.62 2.88 -1.26 -4.69 113.62 115.67 1fhs n SER 39 Ca 0.00 -3.41 -0.27 0.00 -1.33 0.00 0.00 58.87 53.86 1fhs n SER 39 Cb 0.00 -1.08 -0.13 0.00 -0.75 0.00 0.00 64.21 62.26 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 -2.69 0.57 -1.52 -1.46 0.00 -1.26 -4.99 121.76 110.42 1fhs s ALA 40 Ca 0.50 -1.36 0.25 0.00 0.00 0.00 0.00 51.96 51.35 1fhs s ALA 40 Cb 0.38 -1.57 1.30 0.00 0.00 0.00 0.00 23.12 23.23 1fhs s ALA 40 CO -0.11 -1.90 1.84 -0.35 0.00 0.00 0.00 175.76 175.24 1fhs n PRO 41 N 4.64 0.43 -1.60 0.00 -0.04 -1.26 -3.11 135.00 134.05 1fhs n PRO 41 Ca 0.04 0.04 -0.29 0.00 -0.04 0.00 0.00 63.50 63.25 1fhs n PRO 41 Cb 0.40 -1.50 0.06 0.00 -0.04 0.00 0.00 33.50 32.42 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 0.79 6.04 2.68 0.55 0.00 -1.26 -4.87 105.19 109.13 1fhs n GLY 42 Ca 0.13 -2.40 -0.22 0.00 0.00 0.00 0.00 46.02 43.53 1fhs n GLY 42 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1fhs s ASP 43 N -2.60 2.01 -0.08 1.61 2.15 -1.18 -4.75 116.67 113.83 1fhs s ASP 43 Ca 0.58 -0.57 -0.01 0.00 0.43 0.00 0.00 52.55 52.98 1fhs s ASP 43 Cb 0.46 0.13 0.03 0.00 -0.30 0.00 0.00 42.92 43.24 1fhs s ASP 43 CO 0.01 -0.36 -0.02 -0.36 -0.17 0.00 0.00 175.17 174.27 1fhs s PHE 44 N 2.25 0.89 -0.16 -5.34 0.08 -1.25 -2.96 117.98 111.49 1fhs s PHE 44 Ca 0.06 -0.33 -0.01 0.00 0.12 0.00 0.00 56.93 56.77 1fhs s PHE 44 Cb -0.16 -0.92 -0.01 0.00 -0.57 0.00 0.00 43.02 41.37 1fhs s PHE 44 CO -0.19 -0.38 -0.10 -1.54 -0.10 0.00 0.00 175.22 172.91 1fhs s SER 45 N 1.88 4.07 -0.30 1.36 1.04 -1.23 0.15 113.70 120.66 1fhs s SER 45 Ca 0.05 -0.36 -0.24 0.00 0.48 0.00 0.00 55.95 55.87 1fhs s SER 45 Cb -0.12 -1.65 0.00 0.00 0.10 0.00 0.00 66.02 64.35 1fhs s SER 45 CO -0.06 0.09 0.84 -0.22 0.98 0.00 0.00 173.24 174.87 1fhs s LEU 46 N 0.79 4.07 0.06 2.42 0.20 0.98 -2.91 118.68 124.28 1fhs s LEU 46 Ca -0.04 0.75 -0.10 0.00 0.69 0.00 0.00 54.13 55.43 1fhs s LEU 46 Cb -0.15 -3.16 -0.06 0.00 -0.43 0.00 0.00 46.19 42.40 1fhs s LEU 46 CO 0.01 -0.65 0.37 -0.44 -0.29 0.00 0.00 176.35 175.35 1fhs s SER 47 N 1.61 6.62 -0.17 3.68 0.01 0.77 0.29 113.70 126.51 1fhs s SER 47 Ca 0.35 0.75 -0.10 0.00 1.31 0.00 0.00 55.95 58.26 1fhs s SER 47 Cb -0.14 -2.16 0.06 0.00 0.21 0.00 0.00 66.02 63.98 1fhs s SER 47 CO 0.13 0.20 0.41 -0.69 0.41 0.00 0.00 173.24 173.70 1fhs s VAL 48 N -1.35 -0.02 -0.53 3.43 1.01 -0.12 -2.17 120.40 120.65 1fhs s VAL 48 Ca 0.31 0.08 -0.28 0.00 0.00 0.00 0.00 61.98 62.09 1fhs s VAL 48 Cb -0.14 -0.61 0.01 0.00 0.00 0.00 0.00 36.38 35.65 1fhs s VAL 48 CO 0.17 0.03 1.40 -0.75 0.00 0.00 0.00 175.10 175.95 1fhs s LYS 49 N 1.24 3.37 -0.54 2.72 2.20 -0.96 -0.30 119.74 127.46 1fhs s LYS 49 Ca -0.08 0.54 0.01 0.00 -0.36 0.00 0.00 55.97 56.08 1fhs s LYS 49 Cb -0.08 -4.10 0.49 0.00 -1.51 0.00 0.00 37.83 32.64 1fhs s LYS 49 CO -0.11 -1.85 1.83 1.97 -0.36 0.00 0.00 175.35 176.83 1fhs n PHE 50 N 9.36 2.95 0.00 4.03 -1.74 -1.08 -1.38 117.46 129.61 1fhs n PHE 50 Ca 0.13 -2.59 0.00 0.00 -0.56 0.00 0.00 57.45 54.43 1fhs n PHE 50 Cb 0.49 -1.11 0.00 0.00 1.52 0.00 0.00 39.48 40.38 1fhs n PHE 50 CO 0.00 0.00 0.00 0.41 -0.56 0.00 0.00 176.76 176.61 1fhs n GLY 51 N -0.94 1.17 0.07 4.97 0.00 -1.26 -4.78 105.19 104.42 1fhs n GLY 51 Ca 0.57 -0.43 -0.07 0.00 0.00 0.00 0.00 46.02 46.09 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 0.00 1.93 -3.84 1.61 2.85 -1.26 -4.91 115.26 111.64 1fhs n ASN 52 Ca 0.00 -0.01 -0.23 0.00 -0.11 0.00 0.00 54.58 54.23 1fhs n ASN 52 Cb 0.00 0.67 -0.05 0.00 1.24 0.00 0.00 39.78 41.64 1fhs n ASN 52 CO 0.00 0.00 0.00 -0.67 -2.11 0.00 0.00 177.26 174.48 1fhs n ASP 53 N -2.55 2.85 -4.62 1.20 2.03 -1.26 -5.05 116.55 109.14 1fhs n ASP 53 Ca -0.22 -2.58 -0.37 0.00 0.52 0.00 0.00 54.79 52.14 1fhs n ASP 53 Cb 0.91 0.29 -0.10 0.00 -0.72 0.00 0.00 41.12 41.50 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 -2.33 5.30 0.28 5.18 1.01 -1.26 -2.63 120.40 125.95 1fhs s VAL 54 Ca 0.01 0.16 0.03 0.00 0.00 0.00 0.00 61.98 62.18 1fhs s VAL 54 Cb 0.00 -3.49 -0.03 0.00 0.00 0.00 0.00 36.38 32.85 1fhs s VAL 54 CO 0.01 0.31 0.44 -1.58 0.00 0.00 0.00 175.10 174.28 1fhs s GLN 55 N 1.37 3.47 -0.01 2.72 0.74 0.59 -4.93 119.66 123.60 1fhs s GLN 55 Ca 0.07 -0.55 0.00 0.00 0.05 0.00 0.00 55.36 54.94 1fhs s GLN 55 Cb -0.15 -2.79 0.01 0.00 1.10 0.00 0.00 33.01 31.19 1fhs s GLN 55 CO 0.07 0.31 0.01 -3.38 -0.55 0.00 0.00 175.29 171.75 1fhs s HIS 56 N -2.11 0.05 -0.32 1.67 -3.43 -1.26 -0.95 115.29 108.95 1fhs s HIS 56 Ca 0.37 0.05 0.02 0.00 -0.80 0.00 0.00 55.06 54.70 1fhs s HIS 56 Cb -0.09 -0.14 0.09 0.00 -1.43 0.00 0.00 32.58 31.01 1fhs s HIS 56 CO 0.32 -0.05 0.04 -0.06 -2.00 0.00 0.00 174.74 173.00 1fhs s PHE 57 N 0.53 3.03 -0.51 0.38 0.08 0.14 -4.93 117.98 116.71 1fhs s PHE 57 Ca -0.05 -2.49 -0.26 0.00 0.12 0.00 0.00 56.93 54.25 1fhs s PHE 57 Cb -0.07 -2.40 -0.08 0.00 -0.57 0.00 0.00 43.02 39.90 1fhs s PHE 57 CO -0.01 -0.91 2.43 1.63 -0.10 0.00 0.00 175.22 178.26 1fhs n LYS 58 N 4.47 1.00 -2.08 0.44 5.02 -1.26 -0.01 118.16 125.73 1fhs n LYS 58 Ca -0.00 0.00 -0.28 0.00 -2.02 0.00 0.00 58.31 56.01 1fhs n LYS 58 Cb 0.42 -3.34 -0.05 0.00 -0.02 0.00 0.00 35.03 32.04 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 12.01 3.51 0.70 -0.18 1.01 0.39 -4.85 120.40 132.99 1fhs s VAL 59 Ca 1.00 -0.62 -0.11 0.00 0.00 0.00 0.00 61.98 62.25 1fhs s VAL 59 Cb -0.24 -4.27 0.01 0.00 0.00 0.00 0.00 36.38 31.88 1fhs s VAL 59 CO 0.28 -1.02 1.08 -0.76 0.00 0.00 0.00 175.10 174.67 1fhs s LEU 60 N 10.13 2.95 0.00 3.92 1.43 -1.07 -3.87 118.68 132.18 1fhs s LEU 60 Ca 0.68 1.27 0.00 0.00 -1.03 0.00 0.00 54.13 55.06 1fhs s LEU 60 Cb -0.04 -4.11 0.00 0.00 0.03 0.00 0.00 46.19 42.07 1fhs s LEU 60 CO 0.04 -1.33 0.00 -2.11 0.23 0.00 0.00 176.35 173.18 1fhs n ARG 61 N -3.02 1.52 0.00 1.70 1.85 -1.26 0.49 116.66 117.93 1fhs n ARG 61 Ca 0.07 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.92 1fhs n ARG 61 Cb 0.56 0.00 0.00 0.00 -1.05 0.00 0.00 32.46 31.97 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 -1.07 -4.84 116.55 115.56 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 -0.71 2.86 2.75 0.27 0.00 -1.26 -4.77 105.19 104.33 1fhs n GLY 63 Ca 0.00 -0.76 -0.38 0.00 0.00 0.00 0.00 46.02 44.87 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 6.43 0.00 4.61 0.00 -1.26 -4.06 120.51 126.23 1fhs n ALA 64 Ca 0.00 -4.08 0.00 0.00 0.00 0.00 0.00 53.44 49.36 1fhs n ALA 64 Cb 0.00 -2.13 0.00 0.00 0.00 0.00 0.00 19.45 17.32 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 -0.04 1.32 7.00 0.00 0.00 -1.26 -5.14 105.19 107.08 1fhs n GLY 65 Ca 0.52 -0.07 0.00 0.00 0.00 0.00 0.00 46.02 46.47 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 0.00 0.00 -2.33 1.61 5.02 -1.26 -4.15 118.16 117.05 1fhs n LYS 66 Ca 0.00 0.00 -0.36 0.00 -2.02 0.00 0.00 58.31 55.93 1fhs n LYS 66 Cb 0.00 0.00 -0.01 0.00 -0.02 0.00 0.00 35.03 35.00 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 2.89 0.13 2.13 2.02 -1.12 -2.60 117.35 120.80 1fhs s TYR 67 Ca 0.00 1.56 -0.25 0.00 -0.37 0.00 0.00 57.07 58.00 1fhs s TYR 67 Cb 0.00 -3.28 0.07 0.00 -0.40 0.00 0.00 41.96 38.35 1fhs s TYR 67 CO 0.00 -1.32 0.91 -0.59 -1.57 0.00 0.00 175.55 172.99 1fhs s PHE 68 N -1.67 -0.19 -0.36 2.71 -0.12 0.18 0.12 117.98 118.64 1fhs s PHE 68 Ca 0.66 -0.09 0.02 0.00 -0.05 0.00 0.00 56.93 57.47 1fhs s PHE 68 Cb -0.25 0.62 0.11 0.00 -0.63 0.00 0.00 43.02 42.87 1fhs s PHE 68 CO 0.30 -0.80 0.11 -0.51 -0.05 0.00 0.00 175.22 174.27 1fhs s LEU 69 N -2.84 3.67 0.00 -1.99 1.02 -0.95 -2.60 118.68 114.99 1fhs s LEU 69 Ca 0.10 -2.14 0.00 0.00 0.02 0.00 0.00 54.13 52.11 1fhs s LEU 69 Cb -0.02 -1.32 0.00 0.00 0.02 0.00 0.00 46.19 44.88 1fhs s LEU 69 CO -0.00 -0.36 0.00 0.79 0.02 0.00 0.00 176.35 176.79 1fhs n TRP 70 N 4.24 0.00 0.00 0.29 8.01 -1.26 -4.05 117.44 124.67 1fhs n TRP 70 Ca 0.03 0.00 0.00 0.00 -1.31 0.00 0.00 57.50 56.22 1fhs n TRP 70 Cb 0.40 0.00 0.00 0.00 -2.01 0.00 0.00 31.31 29.70 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 0.00 0.00 -1.59 -0.99 0.31 -1.26 -5.11 118.33 109.69 1fhs n VAL 71 Ca 0.00 0.00 -0.47 0.00 -0.01 0.00 0.00 64.34 63.86 1fhs n VAL 71 Cb 0.00 0.00 -0.03 0.00 -0.91 0.00 0.00 33.84 32.90 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 -0.47 1.16 -2.99 2.52 0.24 -1.26 -4.83 118.33 112.70 1fhs n VAL 72 Ca 0.00 -0.29 -0.19 0.00 -2.04 0.00 0.00 64.34 61.82 1fhs n VAL 72 Cb 0.00 -0.93 0.07 0.00 -1.47 0.00 0.00 33.84 31.51 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 1.54 0.55 -3.65 7.34 4.01 -1.26 -2.24 118.16 124.46 1fhs n LYS 73 Ca 0.13 -2.95 -0.12 0.00 -0.51 0.00 0.00 58.31 54.87 1fhs n LYS 73 Cb 0.27 -0.27 -0.08 0.00 -0.51 0.00 0.00 35.03 34.44 1fhs n LYS 73 CO 0.00 0.00 0.00 -0.06 -1.11 0.00 0.00 177.40 176.23 1fhs s PHE 74 N -2.49 -0.81 -1.07 2.13 0.40 0.32 -4.88 117.98 111.58 1fhs s PHE 74 Ca 0.59 1.86 0.03 0.00 -0.60 0.00 0.00 56.93 58.81 1fhs s PHE 74 Cb -0.05 0.34 0.14 0.00 0.51 0.00 0.00 43.02 43.97 1fhs s PHE 74 CO 0.38 -0.40 1.07 0.27 0.70 0.00 0.00 175.22 177.24 1fhs n ASN 75 N 3.17 0.00 -3.64 1.36 0.23 -1.26 -2.78 115.26 112.33 1fhs n ASN 75 Ca -0.16 0.46 -0.02 0.00 -0.53 0.00 0.00 54.58 54.33 1fhs n ASN 75 Cb 0.56 -0.47 -0.04 0.00 -2.08 0.00 0.00 39.78 37.76 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 -2.93 -0.03 0.31 0.53 0.15 -1.26 -4.91 113.70 105.56 1fhs s SER 76 Ca 0.02 0.03 0.06 0.00 0.70 0.00 0.00 55.95 56.75 1fhs s SER 76 Cb 0.02 0.03 0.86 0.00 -1.71 0.00 0.00 66.02 65.21 1fhs s SER 76 CO 0.06 -0.03 1.62 -0.07 1.20 0.00 0.00 173.24 176.01 1fhs h LEU 77 N 2.04 -0.04 -1.05 3.45 3.38 -1.97 1.22 115.31 122.34 1fhs h LEU 77 Ca -0.07 0.23 0.11 0.00 0.09 0.00 0.00 57.88 58.24 1fhs h LEU 77 Cb 1.17 0.32 -0.08 0.00 0.09 0.00 0.00 40.66 42.16 1fhs h LEU 77 CO 0.21 -0.25 0.63 0.78 0.09 0.00 0.00 178.44 179.89 1fhs h ASN 78 N 0.13 0.92 0.02 -0.43 2.35 -1.97 0.38 115.58 116.96 1fhs h ASN 78 Ca 0.63 0.04 -0.13 0.00 -0.55 0.00 0.00 56.30 56.29 1fhs h ASN 78 Cb 1.37 -0.15 -0.01 0.00 0.05 0.00 0.00 38.32 39.58 1fhs h ASN 78 CO -0.74 0.51 -0.40 -0.08 -1.65 0.00 0.00 177.43 175.07 1fhs h GLU 79 N 1.00 0.49 -0.20 0.81 4.81 0.11 0.41 114.58 122.02 1fhs h GLU 79 Ca 0.47 -0.25 0.03 0.00 -0.13 0.00 0.00 59.36 59.48 1fhs h GLU 79 Cb 0.43 0.00 -0.03 0.00 0.63 0.00 0.00 28.75 29.79 1fhs h GLU 79 CO -0.23 0.82 0.03 1.25 -0.73 0.00 0.00 179.01 180.15 1fhs h LEU 80 N 0.41 -0.00 -0.75 1.64 6.46 0.89 0.16 115.31 124.13 1fhs h LEU 80 Ca 0.04 0.03 -0.05 0.00 -0.12 0.00 0.00 57.88 57.78 1fhs h LEU 80 Cb 0.88 0.04 -0.03 0.00 -0.73 0.00 0.00 40.66 40.82 1fhs h LEU 80 CO 0.07 0.03 0.27 0.58 -0.62 0.00 0.00 178.44 178.77 1fhs h VAL 81 N 0.11 1.26 -0.50 1.05 2.07 -0.04 0.52 116.25 120.72 1fhs h VAL 81 Ca 0.09 -0.85 -0.01 0.00 0.82 0.00 0.00 66.70 66.75 1fhs h VAL 81 Cb 0.09 0.41 -0.02 0.00 -1.52 0.00 0.00 31.29 30.24 1fhs h VAL 81 CO -0.12 0.34 0.28 -0.78 0.02 0.00 0.00 177.57 177.31 1fhs h ASP 82 N 1.09 0.62 -0.55 0.57 3.58 0.40 0.93 116.42 123.06 1fhs h ASP 82 Ca 0.25 -0.08 -0.04 0.00 0.42 0.00 0.00 57.03 57.57 1fhs h ASP 82 Cb 0.26 -0.16 -0.02 0.00 1.72 0.00 0.00 39.33 41.13 1fhs h ASP 82 CO -0.01 0.52 0.18 1.88 -2.88 0.00 0.00 179.24 178.93 1fhs h TYR 83 N 0.66 0.87 -0.79 0.28 -1.99 -0.39 -2.00 116.97 113.62 1fhs h TYR 83 Ca 0.18 -0.08 -0.48 0.00 2.00 0.00 0.00 58.73 60.34 1fhs h TYR 83 Cb 0.04 -0.25 -0.20 0.00 2.00 0.00 0.00 36.73 38.32 1fhs h TYR 83 CO -0.02 0.73 0.59 0.72 -0.00 0.00 0.00 178.16 180.19 1fhs n HIS 84 N -4.46 2.15 -0.06 4.88 8.25 0.15 -4.12 115.22 122.00 1fhs n HIS 84 Ca 0.02 -2.32 -0.20 0.00 -0.26 0.00 0.00 57.72 54.96 1fhs n HIS 84 Cb 0.19 -1.18 -0.13 0.00 1.12 0.00 0.00 29.99 30.00 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 -0.03 0.70 -0.12 -0.41 3.00 0.25 -4.28 116.66 115.77 1fhs n ARG 85 Ca 0.44 0.24 -0.19 0.00 -0.00 0.00 0.00 57.85 58.33 1fhs n ARG 85 Cb 0.58 -1.63 -0.11 0.00 0.00 0.00 0.00 32.46 31.31 1fhs n ARG 85 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.63 178.08 1fhs n SER 86 N -3.48 2.05 -2.52 6.15 2.88 -1.26 -4.59 113.62 112.85 1fhs n SER 86 Ca -0.39 -0.01 0.00 0.00 -1.33 0.00 0.00 58.87 57.14 1fhs n SER 86 Cb 1.00 -0.47 0.00 0.00 -0.75 0.00 0.00 64.21 63.98 1fhs n SER 86 CO 0.00 0.00 0.00 1.07 -1.23 0.00 0.00 175.04 174.88 1fhs n THR 87 N -3.44 0.00 -2.15 2.46 5.66 -1.26 -5.01 114.28 110.53 1fhs n THR 87 Ca -0.44 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 60.56 1fhs n THR 87 Cb 0.93 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.71 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 0.00 0.25 -2.21 1.09 3.41 -1.26 -4.71 113.62 110.18 1fhs n SER 88 Ca 0.00 0.00 -0.02 0.00 -0.26 0.00 0.00 58.87 58.59 1fhs n SER 88 Cb 0.00 0.00 0.01 0.00 -0.26 0.00 0.00 64.21 63.96 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 0.00 0.00 -0.90 -3.33 3.14 -1.26 -4.72 118.33 111.26 1fhs n VAL 89 Ca 0.00 -0.45 0.00 0.00 -2.96 0.00 0.00 64.34 60.93 1fhs n VAL 89 Cb 0.00 0.60 0.00 0.00 -1.06 0.00 0.00 33.84 33.38 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 -0.41 0.93 0.00 6.55 2.88 -1.26 -4.95 113.62 117.36 1fhs n SER 90 Ca -0.15 0.00 0.01 0.00 -1.33 0.00 0.00 58.87 57.39 1fhs n SER 90 Cb 0.62 0.00 0.03 0.00 -0.75 0.00 0.00 64.21 64.11 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 0.17 -2.17 -1.46 1.74 -1.26 -4.73 116.66 108.94 1fhs n ARG 91 Ca 0.00 0.00 -0.16 0.00 -0.77 0.00 0.00 57.85 56.92 1fhs n ARG 91 Cb 0.00 -1.11 -0.02 0.00 -1.02 0.00 0.00 32.46 30.31 1fhs n ARG 91 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 1fhs n ASN 92 N -0.61 -4.91 -4.12 0.55 4.13 -1.26 -4.96 115.26 104.08 1fhs n ASN 92 Ca 0.01 0.05 -0.37 0.00 1.68 0.00 0.00 54.58 55.96 1fhs n ASN 92 Cb 0.00 -3.99 -0.11 0.00 -1.54 0.00 0.00 39.78 34.15 1fhs n ASN 92 CO 0.00 0.00 0.00 -1.10 0.28 0.00 0.00 177.26 176.44 1fhs s GLN 93 N -4.59 2.22 -0.07 3.52 -0.21 -1.26 -4.85 119.66 114.42 1fhs s GLN 93 Ca 0.00 -2.03 -0.01 0.00 0.02 0.00 0.00 55.36 53.34 1fhs s GLN 93 Cb 0.00 -3.66 0.00 0.00 1.00 0.00 0.00 33.01 30.35 1fhs s GLN 93 CO 0.00 -1.12 0.02 0.94 -2.12 0.00 0.00 175.29 173.02 1fhs n GLN 94 N 4.29 -0.92 -3.72 2.91 -0.06 -1.26 -5.00 117.38 113.62 1fhs n GLN 94 Ca 0.00 1.17 -0.13 0.00 -2.00 0.00 0.00 57.00 56.05 1fhs n GLN 94 Cb 0.40 -1.86 -0.13 0.00 -4.06 0.00 0.00 30.24 24.59 1fhs n GLN 94 CO 0.00 0.00 0.00 0.42 -0.20 0.00 0.00 177.06 177.28 1fhs s ILE 95 N -1.14 -0.10 -0.14 1.69 -1.09 -1.26 -4.87 121.20 114.29 1fhs s ILE 95 Ca 0.01 0.18 -0.12 0.00 -2.23 0.00 0.00 60.65 58.49 1fhs s ILE 95 Cb -0.00 -0.38 0.04 0.00 -1.58 0.00 0.00 42.46 40.54 1fhs s ILE 95 CO 0.18 0.07 0.36 -0.36 -1.23 0.00 0.00 174.94 173.96 1fhs s PHE 96 N 1.46 -0.40 -0.79 3.97 0.40 -1.26 -4.44 117.98 116.92 1fhs s PHE 96 Ca -0.07 0.97 -0.20 0.00 -0.60 0.00 0.00 56.93 57.03 1fhs s PHE 96 Cb -0.11 0.14 0.11 0.00 0.51 0.00 0.00 43.02 43.67 1fhs s PHE 96 CO -0.08 -0.19 1.01 -0.51 0.70 0.00 0.00 175.22 176.14 1fhs s LEU 97 N 0.24 4.90 0.06 -0.37 1.43 -1.26 -3.83 118.68 119.85 1fhs s LEU 97 Ca -0.00 -1.61 0.02 0.00 -1.03 0.00 0.00 54.13 51.51 1fhs s LEU 97 Cb -0.03 -2.39 -0.04 0.00 0.03 0.00 0.00 46.19 43.76 1fhs s LEU 97 CO -0.00 -1.19 0.07 0.00 0.23 0.00 0.00 176.35 175.46 1fhs s ARG 98 N 3.12 2.90 -0.31 1.70 1.70 -1.10 -4.95 118.95 122.00 1fhs s ARG 98 Ca 0.26 -0.66 -0.41 0.00 -0.47 0.00 0.00 55.73 54.45 1fhs s ARG 98 Cb -0.12 -2.74 -0.16 0.00 -0.57 0.00 0.00 34.95 31.36 1fhs s ARG 98 CO -0.00 0.58 1.76 -0.25 -1.08 0.00 0.00 175.30 176.30 1fhs n ASP 99 N 0.61 2.26 -0.10 -2.89 8.00 -1.26 -2.78 116.55 120.40 1fhs n ASP 99 Ca -0.10 1.06 -0.13 0.00 0.71 0.00 0.00 54.79 56.33 1fhs n ASP 99 Cb 0.52 -1.12 -0.04 0.00 -0.02 0.00 0.00 41.12 40.46 1fhs n ASP 99 CO 0.00 0.00 0.00 -0.29 -0.39 0.00 0.00 177.20 176.52 1fhs h ILE 100 N 5.31 1.29 -3.21 0.53 2.10 -1.93 -3.43 117.51 118.17 1fhs h ILE 100 Ca -0.45 -1.52 -0.66 0.00 1.08 0.00 0.00 64.86 63.31 1fhs h ILE 100 Cb 1.32 1.56 -0.34 0.00 -1.09 0.00 0.00 36.82 38.27 1fhs h ILE 100 CO 0.97 0.49 -0.87 -0.70 -1.08 0.00 0.00 178.15 176.97 1fhs s GLU 101 N -4.32 2.90 -0.10 2.19 -6.30 -1.26 -4.94 118.70 106.86 1fhs s GLU 101 Ca -0.12 -0.81 -0.01 0.00 -2.50 0.00 0.00 54.97 51.52 1fhs s GLU 101 Cb 0.09 -2.35 0.03 0.00 0.00 0.00 0.00 34.13 31.91 1fhs s GLU 101 CO 0.85 -0.02 -0.01 -1.14 0.02 0.00 0.00 175.26 174.97 1fhs s GLN 102 N 0.83 0.79 -0.04 4.30 0.74 -1.26 -5.01 119.66 120.01 1fhs s GLN 102 Ca -0.07 -0.07 -0.07 0.00 0.05 0.00 0.00 55.36 55.20 1fhs s GLN 102 Cb -0.15 -1.32 -0.02 0.00 1.10 0.00 0.00 33.01 32.61 1fhs s GLN 102 CO -0.02 -0.37 -0.14 1.33 -0.55 0.00 0.00 175.29 175.55 1fhs n VAL 103 N 5.09 1.00 -1.59 1.34 0.24 -1.26 -4.99 118.33 118.16 1fhs n VAL 103 Ca -0.08 0.27 -0.51 0.00 -2.04 0.00 0.00 64.34 61.97 1fhs n VAL 103 Cb 0.49 -1.80 -0.06 0.00 -1.47 0.00 0.00 33.84 31.01 1fhs n VAL 103 CO 0.00 0.00 0.00 -2.65 -2.14 0.00 0.00 176.83 172.04 1fhs n PRO 104 N -3.60 1.19 -1.75 7.34 -0.02 -1.26 -3.33 135.00 133.56 1fhs n PRO 104 Ca -0.05 0.43 -0.00 0.00 -2.02 0.00 0.00 63.50 61.85 1fhs n PRO 104 Cb 0.20 -2.06 0.00 0.00 -0.02 0.00 0.00 33.50 31.63 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 2.46 -0.07 -2.01 -0.52 1.13 -1.26 -5.02 117.38 112.09 1fhs n GLN 105 Ca 0.18 0.01 -0.34 0.00 -1.94 0.00 0.00 57.00 54.91 1fhs n GLN 105 Cb 0.20 -2.01 0.02 0.00 0.11 0.00 0.00 30.24 28.57 1fhs n GLN 105 CO 0.00 0.00 0.00 1.14 -1.44 0.00 0.00 177.06 176.76 1fhs s GLN 106 N -3.47 3.09 -0.15 -1.09 -2.07 -1.21 -4.94 119.66 109.83 1fhs s GLN 106 Ca 0.00 1.49 -0.29 0.00 -1.82 0.00 0.00 55.36 54.74 1fhs s GLN 106 Cb -0.00 -1.98 -0.02 0.00 -1.09 0.00 0.00 33.01 29.92 1fhs s GLN 106 CO 0.01 -1.03 1.35 -1.25 -1.32 0.00 0.00 175.29 173.04 1fhs s PRO 107 N -3.70 4.21 0.00 9.60 0.04 -1.26 -4.63 135.00 139.25 1fhs s PRO 107 Ca 0.70 1.75 0.00 0.00 0.04 0.00 0.00 61.00 63.49 1fhs s PRO 107 Cb -0.22 -3.82 0.00 0.00 0.04 0.00 0.00 34.50 30.51 1fhs s PRO 107 CO 0.34 -0.76 0.00 2.41 0.04 0.00 0.00 177.00 179.04 1fhs n THR 108 N 5.44 0.00 -1.62 1.26 -1.04 -1.26 -4.97 114.28 112.09 1fhs n THR 108 Ca 0.15 0.00 -0.55 0.00 -2.04 0.00 0.00 64.05 61.60 1fhs n THR 108 Cb 0.44 0.00 -0.07 0.00 -1.82 0.00 0.00 70.33 68.88 1fhs n THR 108 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1fhs n TYR 109 N 2.41 1.93 -3.65 -1.42 9.36 -1.26 -4.88 117.16 119.64 1fhs n TYR 109 Ca 0.00 0.44 -0.37 0.00 3.32 0.00 0.00 57.90 61.29 1fhs n TYR 109 Cb 0.00 -2.49 -0.11 0.00 -0.63 0.00 0.00 39.34 36.12 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 4.64 5.20 -0.71 2.97 0.11 -1.26 -5.02 120.40 126.32 1fhs s VAL 110 Ca 1.02 0.13 -0.18 0.00 -2.93 0.00 0.00 61.98 60.02 1fhs s VAL 110 Cb -1.01 -3.45 0.13 0.00 -1.53 0.00 0.00 36.38 30.52 1fhs s VAL 110 CO 0.61 0.30 0.81 -1.58 -3.33 0.00 0.00 175.10 171.91 1fhs s GLN 111 N 1.45 3.28 0.00 1.54 2.00 -1.26 -5.18 119.66 121.48 1fhs s GLN 111 Ca 0.07 -1.65 0.00 0.00 -2.00 0.00 0.00 55.36 51.77 1fhs s GLN 111 Cb -0.15 -4.44 0.00 0.00 0.80 0.00 0.00 33.01 29.22 1fhs s GLN 111 CO 0.08 -1.54 0.00 0.00 -0.50 0.00 0.00 175.29 173.33