#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 -4.27 -0.61 -6.64 -1.26 -5.12 119.36 101.46 1fhs n ILE 2 Ca 0.00 0.00 -0.33 0.00 -1.77 0.00 0.00 62.75 60.65 1fhs n ILE 2 Cb 0.00 -1.78 -0.16 0.00 -1.44 0.00 0.00 39.64 36.26 1fhs n ILE 2 CO 0.00 0.00 0.00 -1.83 -1.77 0.00 0.00 176.55 172.95 1fhs s GLU 3 N 0.00 3.02 0.50 6.28 -1.05 -1.26 -5.10 118.70 121.09 1fhs s GLU 3 Ca 0.00 -0.83 -0.20 0.00 -0.15 0.00 0.00 54.97 53.79 1fhs s GLU 3 Cb 0.00 -2.55 -0.08 0.00 -0.44 0.00 0.00 34.13 31.06 1fhs s GLU 3 CO 0.00 -0.15 1.07 -1.64 0.95 0.00 0.00 175.26 175.49 1fhs s MET 4 N 1.15 3.68 0.73 -4.83 -1.94 -1.26 -4.95 119.30 111.88 1fhs s MET 4 Ca 0.01 1.45 -0.17 0.00 -1.71 0.00 0.00 55.69 55.28 1fhs s MET 4 Cb -0.14 -2.08 -0.10 0.00 2.01 0.00 0.00 34.83 34.52 1fhs s MET 4 CO -0.09 -0.55 -0.02 0.36 -0.01 0.00 0.00 175.02 174.71 1fhs n LYS 5 N -1.03 0.10 -2.07 2.03 2.85 -1.26 -4.80 118.16 113.98 1fhs n LYS 5 Ca 0.10 0.05 -0.42 0.00 -1.05 0.00 0.00 58.31 56.99 1fhs n LYS 5 Cb 0.52 -1.36 -0.03 0.00 -0.65 0.00 0.00 35.03 33.52 1fhs n LYS 5 CO 0.00 0.00 0.00 -1.25 -0.05 0.00 0.00 177.40 176.10 1fhs s PRO 6 N -2.04 4.19 0.07 -1.58 0.04 -1.26 -4.99 135.00 129.43 1fhs s PRO 6 Ca 0.56 2.11 -0.25 0.00 0.04 0.00 0.00 61.00 63.45 1fhs s PRO 6 Cb -0.35 -3.95 -0.06 0.00 0.04 0.00 0.00 34.50 30.18 1fhs s PRO 6 CO 0.67 -0.82 0.79 -1.58 0.04 0.00 0.00 177.00 176.09 1fhs s HIS 7 N 3.95 3.78 0.00 0.56 2.46 -1.26 -5.05 115.29 119.73 1fhs s HIS 7 Ca 0.70 1.54 0.00 0.00 0.47 0.00 0.00 55.06 57.77 1fhs s HIS 7 Cb -0.31 -2.83 0.00 0.00 -0.13 0.00 0.00 32.58 29.30 1fhs s HIS 7 CO 0.27 0.31 0.00 -2.30 -2.47 0.00 0.00 174.74 170.55 1fhs n PRO 8 N 2.58 0.00 -0.38 2.88 -0.02 -1.26 -4.96 135.00 133.84 1fhs n PRO 8 Ca -0.03 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.45 1fhs n PRO 8 Cb 0.50 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 33.98 1fhs n PRO 8 CO 0.00 0.00 0.00 -2.67 1.98 0.00 0.00 175.50 174.81 1fhs n TRP 9 N 0.00 0.00 -2.84 6.00 4.27 -1.26 -4.98 117.44 118.63 1fhs n TRP 9 Ca 0.00 0.00 -0.43 0.00 -3.89 0.00 0.00 57.50 53.18 1fhs n TRP 9 Cb 0.00 0.22 -0.04 0.00 -1.36 0.00 0.00 31.31 30.12 1fhs n TRP 9 CO 0.00 0.00 0.00 -0.06 -2.29 0.00 0.00 177.69 175.34 1fhs s PHE 10 N 0.00 2.91 -0.69 -2.67 0.40 -1.26 -2.94 117.98 113.72 1fhs s PHE 10 Ca 0.00 0.27 -0.16 0.00 -0.60 0.00 0.00 56.93 56.44 1fhs s PHE 10 Cb 0.00 -3.95 0.15 0.00 0.51 0.00 0.00 43.02 39.74 1fhs s PHE 10 CO 0.00 -1.13 0.70 -0.06 0.70 0.00 0.00 175.22 175.43 1fhs s PHE 11 N 3.73 3.33 -0.54 0.36 0.40 0.11 -4.97 117.98 120.41 1fhs s PHE 11 Ca 0.35 -1.44 -0.33 0.00 -0.60 0.00 0.00 56.93 54.91 1fhs s PHE 11 Cb -0.11 -3.91 -0.13 0.00 0.51 0.00 0.00 43.02 39.38 1fhs s PHE 11 CO 0.24 -1.13 2.35 0.41 0.70 0.00 0.00 175.22 177.79 1fhs n GLY 12 N 4.87 0.16 3.18 4.36 0.00 -1.26 -1.72 105.19 114.77 1fhs n GLY 12 Ca -0.00 0.94 -0.21 0.00 0.00 0.00 0.00 46.02 46.74 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 8.39 -0.87 -1.70 1.61 2.85 -0.92 -4.72 118.16 122.81 1fhs n LYS 13 Ca 0.47 0.07 -0.44 0.00 -1.05 0.00 0.00 58.31 57.36 1fhs n LYS 13 Cb 0.23 -2.36 -0.02 0.00 -0.65 0.00 0.00 35.03 32.24 1fhs n LYS 13 CO 0.00 0.00 0.00 1.51 -0.05 0.00 0.00 177.40 178.86 1fhs n ILE 14 N -2.48 0.97 -1.71 0.58 0.13 -0.70 -4.77 119.36 111.39 1fhs n ILE 14 Ca 0.01 -0.24 -0.61 0.00 -1.10 0.00 0.00 62.75 60.81 1fhs n ILE 14 Cb 0.26 -1.65 -0.08 0.00 -0.84 0.00 0.00 39.64 37.33 1fhs n ILE 14 CO 0.00 0.00 0.00 -2.65 2.80 0.00 0.00 176.55 176.70 1fhs n PRO 15 N 2.09 0.68 -0.38 9.51 -0.02 -1.26 -4.60 135.00 141.03 1fhs n PRO 15 Ca 0.11 0.25 0.33 0.00 -2.02 0.00 0.00 63.50 62.17 1fhs n PRO 15 Cb 0.33 -1.86 0.57 0.00 -0.02 0.00 0.00 33.50 32.53 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 4.50 -0.04 0.17 -0.52 0.63 -1.26 0.72 116.66 120.87 1fhs n ARG 16 Ca 0.27 1.12 -0.07 0.00 -0.92 0.00 0.00 57.85 58.25 1fhs n ARG 16 Cb 0.06 -2.15 -0.03 0.00 0.45 0.00 0.00 32.46 30.79 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 1.48 -0.64 -0.97 5.13 0.00 -2.00 -2.95 119.26 119.30 1fhs h ALA 17 Ca 0.76 -0.10 0.32 0.00 0.00 0.00 0.00 54.91 55.89 1fhs h ALA 17 Cb 2.33 0.18 -0.16 0.00 0.00 0.00 0.00 17.79 20.14 1fhs h ALA 17 CO -0.48 -0.60 0.39 -0.22 0.00 0.00 0.00 179.25 178.34 1fhs h LYS 18 N -0.80 0.14 -0.24 0.00 1.63 -0.03 1.27 116.57 118.54 1fhs h LYS 18 Ca -0.05 -0.01 0.05 0.00 -0.85 0.00 0.00 60.65 59.79 1fhs h LYS 18 Cb 0.36 -0.03 -0.07 0.00 -0.60 0.00 0.00 32.23 31.89 1fhs h LYS 18 CO 0.08 0.10 -0.49 0.00 -3.45 0.00 0.00 179.45 175.68 1fhs h ALA 19 N 1.90 -0.71 -0.77 5.00 0.00 -0.51 0.63 119.26 124.80 1fhs h ALA 19 Ca 0.70 -0.01 0.17 0.00 0.00 0.00 0.00 54.91 55.77 1fhs h ALA 19 Cb 1.63 0.96 -0.11 0.00 0.00 0.00 0.00 17.79 20.27 1fhs h ALA 19 CO -0.72 -1.00 0.23 0.93 0.00 0.00 0.00 179.25 178.69 1fhs h GLU 20 N -0.48 0.30 0.00 0.00 5.08 0.16 0.59 114.58 120.23 1fhs h GLU 20 Ca 0.07 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.41 1fhs h GLU 20 Cb 0.64 -0.07 0.00 0.00 0.50 0.00 0.00 28.75 29.82 1fhs h GLU 20 CO -0.49 0.20 0.00 0.39 -1.00 0.00 0.00 179.01 178.11 1fhs n GLU 21 N -5.13 0.00 -0.33 2.33 1.02 0.19 0.86 120.64 119.59 1fhs n GLU 21 Ca 0.16 0.02 0.12 0.00 -0.02 0.00 0.00 57.16 57.43 1fhs n GLU 21 Cb 0.49 -0.94 0.29 0.00 -0.02 0.00 0.00 31.44 31.27 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 0.64 0.00 3.49 -0.00 -0.71 1.04 114.93 119.39 1fhs h MET 22 Ca 0.00 -0.04 -0.02 0.00 -0.00 0.00 0.00 59.70 59.65 1fhs h MET 22 Cb 0.00 -0.14 -0.00 0.00 -0.00 0.00 0.00 31.60 31.45 1fhs h MET 22 CO 0.00 0.42 -0.08 1.25 -0.00 0.00 0.00 176.91 178.50 1fhs h LEU 23 N 0.65 0.00 -0.85 -0.10 5.85 -0.86 -1.39 115.31 118.61 1fhs h LEU 23 Ca 0.55 0.00 -0.11 0.00 0.84 0.00 0.00 57.88 59.15 1fhs h LEU 23 Cb 0.87 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 41.89 1fhs h LEU 23 CO -0.41 0.08 -0.54 0.77 -0.34 0.00 0.00 178.44 178.01 1fhs h SER 24 N 0.00 0.00 0.00 1.25 4.64 0.77 -3.03 113.55 117.18 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 0.17 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.26 1fhs h SER 24 CO 0.01 0.54 0.00 0.29 -0.87 0.00 0.00 176.83 176.80 1fhs n LYS 25 N -3.77 0.61 -0.10 4.77 5.02 -0.52 -3.32 118.16 120.86 1fhs n LYS 25 Ca -0.01 0.00 0.09 0.00 -2.02 0.00 0.00 58.31 56.37 1fhs n LYS 25 Cb 0.57 -1.19 0.14 0.00 -0.02 0.00 0.00 35.03 34.53 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 1.41 1.49 -3.53 1.97 1.13 -1.15 -5.00 117.38 113.71 1fhs n GLN 26 Ca 0.00 -2.55 -0.01 0.00 -1.94 0.00 0.00 57.00 52.50 1fhs n GLN 26 Cb 0.31 -1.50 -0.00 0.00 0.11 0.00 0.00 30.24 29.15 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 -1.32 -1.04 -3.04 -1.09 5.12 -1.21 -1.76 116.66 112.32 1fhs n ARG 27 Ca 0.16 -0.43 -0.01 0.00 -1.93 0.00 0.00 57.85 55.64 1fhs n ARG 27 Cb 0.64 0.72 -0.01 0.00 -1.16 0.00 0.00 32.46 32.66 1fhs n ARG 27 CO 0.00 0.00 0.00 1.58 -1.93 0.00 0.00 177.63 177.28 1fhs n HIS 28 N -1.02 -0.77 -2.05 -1.55 -0.00 -1.26 -4.96 115.22 103.60 1fhs n HIS 28 Ca -0.00 0.41 -0.05 0.00 -0.00 0.00 0.00 57.72 58.08 1fhs n HIS 28 Cb 0.01 -1.53 -0.05 0.00 -0.00 0.00 0.00 29.99 28.42 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 1.92 -0.70 0.00 0.26 8.00 -0.72 -4.98 116.55 120.33 1fhs n ASP 29 Ca -0.05 -1.92 0.00 0.00 0.71 0.00 0.00 54.79 53.54 1fhs n ASP 29 Cb 0.23 0.21 0.00 0.00 -0.02 0.00 0.00 41.12 41.54 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 0.05 2.60 3.71 0.44 0.00 -1.25 -4.63 105.19 106.12 1fhs n GLY 30 Ca -0.22 0.00 -0.61 0.00 0.00 0.00 0.00 46.02 45.19 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 0.15 -0.73 -2.55 4.61 0.00 -1.20 -1.66 120.51 119.14 1fhs n ALA 31 Ca 0.00 0.44 -0.22 0.00 0.00 0.00 0.00 53.44 53.65 1fhs n ALA 31 Cb 0.00 -2.10 -0.12 0.00 0.00 0.00 0.00 19.45 17.23 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 3.14 1.69 0.06 0.00 -0.71 -1.15 0.04 117.98 121.05 1fhs s PHE 32 Ca 1.00 -0.44 0.07 0.00 -1.04 0.00 0.00 56.93 56.51 1fhs s PHE 32 Cb -1.22 -0.91 -0.04 0.00 -1.21 0.00 0.00 43.02 39.64 1fhs s PHE 32 CO 0.70 0.20 -0.14 -1.17 -1.34 0.00 0.00 175.22 173.47 1fhs s LEU 33 N -2.05 2.82 -0.13 -1.99 1.98 0.40 -4.85 118.68 114.86 1fhs s LEU 33 Ca 0.07 -0.39 -0.05 0.00 -2.89 0.00 0.00 54.13 50.87 1fhs s LEU 33 Cb -0.09 -1.64 0.06 0.00 0.66 0.00 0.00 46.19 45.18 1fhs s LEU 33 CO 0.04 0.23 0.27 -0.63 -1.89 0.00 0.00 176.35 174.37 1fhs s ILE 34 N -1.03 -0.36 -0.17 6.68 1.01 -1.15 -2.26 121.20 123.92 1fhs s ILE 34 Ca 0.17 0.25 -0.04 0.00 0.00 0.00 0.00 60.65 61.03 1fhs s ILE 34 Cb -0.11 -0.45 -0.03 0.00 0.01 0.00 0.00 42.46 41.89 1fhs s ILE 34 CO 0.08 0.11 -0.02 0.00 0.00 0.00 0.00 174.94 175.10 1fhs s ARG 35 N 2.22 3.66 0.24 2.79 1.70 -1.18 0.06 118.95 128.45 1fhs s ARG 35 Ca -0.01 -0.52 -0.30 0.00 -0.47 0.00 0.00 55.73 54.44 1fhs s ARG 35 Cb -0.12 -2.97 -0.09 0.00 -0.57 0.00 0.00 34.95 31.20 1fhs s ARG 35 CO -0.09 0.17 1.30 -2.00 -1.08 0.00 0.00 175.30 173.61 1fhs s GLU 36 N 0.55 4.39 -0.45 3.89 2.56 -1.06 -4.14 118.70 124.45 1fhs s GLU 36 Ca -0.02 2.10 -0.45 0.00 0.00 0.00 0.00 54.97 56.60 1fhs s GLU 36 Cb -0.14 -3.15 -0.19 0.00 2.00 0.00 0.00 34.13 32.65 1fhs s GLU 36 CO 0.02 -0.21 1.71 -1.13 -0.56 0.00 0.00 175.26 175.10 1fhs n SER 37 N 2.01 1.44 0.00 -1.70 3.41 -0.86 -2.15 113.62 115.77 1fhs n SER 37 Ca 0.04 1.08 0.00 0.00 -0.26 0.00 0.00 58.87 59.73 1fhs n SER 37 Cb 0.42 -0.95 0.00 0.00 -0.26 0.00 0.00 64.21 63.42 1fhs n SER 37 CO 0.00 0.00 0.00 1.21 -0.16 0.00 0.00 175.04 176.09 1fhs n GLU 38 N 4.84 0.00 -1.97 4.33 2.13 -1.26 -4.22 120.64 124.49 1fhs n GLU 38 Ca 0.33 0.01 -0.30 0.00 0.66 0.00 0.00 57.16 57.86 1fhs n GLU 38 Cb -0.01 -0.58 0.03 0.00 0.27 0.00 0.00 31.44 31.15 1fhs n GLU 38 CO 0.00 0.00 0.00 -1.13 -0.41 0.00 0.00 177.13 175.59 1fhs n SER 39 N -0.09 5.95 -4.15 4.31 3.41 -1.26 -4.99 113.62 116.80 1fhs n SER 39 Ca 0.00 -3.77 -0.12 0.00 -0.26 0.00 0.00 58.87 54.72 1fhs n SER 39 Cb 0.00 -0.64 -0.10 0.00 -0.26 0.00 0.00 64.21 63.20 1fhs n SER 39 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1fhs s ALA 40 N -3.72 0.94 0.00 7.33 0.00 -1.26 -5.14 121.76 119.91 1fhs s ALA 40 Ca 0.54 -1.20 0.00 0.00 0.00 0.00 0.00 51.96 51.30 1fhs s ALA 40 Cb 0.44 0.10 0.00 0.00 0.00 0.00 0.00 23.12 23.66 1fhs s ALA 40 CO -0.11 -0.14 0.00 -2.30 0.00 0.00 0.00 175.76 173.21 1fhs n PRO 41 N 0.40 0.00 -2.95 0.00 -0.02 -1.26 -4.37 135.00 126.80 1fhs n PRO 41 Ca -0.15 0.00 -0.42 0.00 -2.02 0.00 0.00 63.50 60.90 1fhs n PRO 41 Cb 0.59 0.00 0.01 0.00 -0.02 0.00 0.00 33.50 34.08 1fhs n PRO 41 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1fhs n GLY 42 N 0.00 5.35 3.60 -1.23 0.00 -1.26 -4.66 105.19 106.99 1fhs n GLY 42 Ca 0.00 -2.66 -0.41 0.00 0.00 0.00 0.00 46.02 42.95 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 -1.75 6.52 -0.15 1.61 2.15 -1.26 -4.86 116.67 118.92 1fhs s ASP 43 Ca 0.32 0.49 -0.01 0.00 0.43 0.00 0.00 52.55 53.79 1fhs s ASP 43 Cb 0.08 -2.33 0.04 0.00 -0.30 0.00 0.00 42.92 40.40 1fhs s ASP 43 CO 0.07 -0.46 -0.04 -0.36 -0.17 0.00 0.00 175.17 174.20 1fhs s PHE 44 N 2.60 1.52 -0.03 -5.34 0.08 -1.26 -2.03 117.98 113.53 1fhs s PHE 44 Ca 0.26 -0.94 0.05 0.00 0.12 0.00 0.00 56.93 56.42 1fhs s PHE 44 Cb -0.15 -1.23 -0.01 0.00 -0.57 0.00 0.00 43.02 41.06 1fhs s PHE 44 CO 0.11 -0.58 -0.20 -1.54 -0.10 0.00 0.00 175.22 172.92 1fhs s SER 45 N 1.69 2.37 -0.24 1.36 1.04 -1.26 0.12 113.70 118.79 1fhs s SER 45 Ca 0.02 -0.38 -0.05 0.00 0.48 0.00 0.00 55.95 56.02 1fhs s SER 45 Cb -0.15 -0.46 -0.01 0.00 0.10 0.00 0.00 66.02 65.51 1fhs s SER 45 CO -0.08 0.21 -0.00 -0.22 0.98 0.00 0.00 173.24 174.14 1fhs s LEU 46 N -0.25 3.17 -0.20 2.42 0.20 0.10 -3.10 118.68 121.02 1fhs s LEU 46 Ca 0.02 -0.41 -0.03 0.00 0.69 0.00 0.00 54.13 54.40 1fhs s LEU 46 Cb -0.10 -1.80 -0.01 0.00 -0.43 0.00 0.00 46.19 43.86 1fhs s LEU 46 CO 0.01 -0.05 -0.07 -0.44 -0.29 0.00 0.00 176.35 175.50 1fhs s SER 47 N 1.51 4.17 0.06 3.68 0.01 -0.96 0.73 113.70 122.90 1fhs s SER 47 Ca 0.05 -0.39 0.06 0.00 1.31 0.00 0.00 55.95 56.99 1fhs s SER 47 Cb -0.15 -1.70 -0.04 0.00 0.21 0.00 0.00 66.02 64.35 1fhs s SER 47 CO -0.01 0.03 -0.12 -0.69 0.41 0.00 0.00 173.24 172.86 1fhs s VAL 48 N 1.19 3.22 -0.91 3.43 1.01 -0.90 0.15 120.40 127.58 1fhs s VAL 48 Ca 0.02 -1.12 -0.25 0.00 0.00 0.00 0.00 61.98 60.64 1fhs s VAL 48 Cb -0.14 -2.43 -0.05 0.00 0.00 0.00 0.00 36.38 33.76 1fhs s VAL 48 CO -0.02 0.27 1.97 -0.75 0.00 0.00 0.00 175.10 176.56 1fhs s LYS 49 N -1.72 2.51 -0.05 2.72 2.47 0.11 -1.88 119.74 123.89 1fhs s LYS 49 Ca 0.18 -0.30 -0.18 0.00 -1.56 0.00 0.00 55.97 54.11 1fhs s LYS 49 Cb -0.11 -5.06 -0.05 0.00 -1.46 0.00 0.00 37.83 31.15 1fhs s LYS 49 CO 0.09 -3.45 0.49 0.12 0.16 0.00 0.00 175.35 172.76 1fhs s PHE 50 N 10.33 3.63 -0.00 4.03 2.19 -0.68 -3.92 117.98 133.55 1fhs s PHE 50 Ca 0.71 1.02 -0.39 0.00 0.33 0.00 0.00 56.93 58.59 1fhs s PHE 50 Cb -0.07 -2.50 -0.19 0.00 -1.31 0.00 0.00 43.02 38.96 1fhs s PHE 50 CO 0.00 0.36 1.22 0.41 1.83 0.00 0.00 175.22 179.04 1fhs n GLY 51 N 2.61 0.07 3.33 13.12 0.00 -1.26 0.12 105.19 123.17 1fhs n GLY 51 Ca -0.09 0.76 0.00 0.00 0.00 0.00 0.00 46.02 46.69 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 2.15 0.00 -3.63 1.61 4.05 -1.26 -4.91 115.26 113.27 1fhs n ASN 52 Ca 0.20 0.00 -0.16 0.00 0.45 0.00 0.00 54.58 55.08 1fhs n ASN 52 Cb 0.12 0.00 -0.07 0.00 1.23 0.00 0.00 39.78 41.06 1fhs n ASN 52 CO 0.00 0.00 0.00 -1.81 -3.05 0.00 0.00 177.26 172.40 1fhs s ASP 53 N 0.15 -0.44 -0.12 1.20 1.01 0.31 -5.11 116.67 113.68 1fhs s ASP 53 Ca 0.00 0.39 -0.29 0.00 0.71 0.00 0.00 52.55 53.35 1fhs s ASP 53 Cb 0.00 0.44 -0.04 0.00 1.01 0.00 0.00 42.92 44.33 1fhs s ASP 53 CO 0.00 -0.56 1.50 -0.69 0.21 0.00 0.00 175.17 175.63 1fhs s VAL 54 N -1.41 3.86 0.24 -1.27 1.01 -1.26 -1.69 120.40 119.87 1fhs s VAL 54 Ca -0.11 1.03 0.05 0.00 0.00 0.00 0.00 61.98 62.95 1fhs s VAL 54 Cb -0.02 -3.70 -0.03 0.00 0.00 0.00 0.00 36.38 32.63 1fhs s VAL 54 CO 0.06 -0.13 0.31 -1.58 0.00 0.00 0.00 175.10 173.76 1fhs s GLN 55 N 3.93 3.29 -0.04 2.72 0.74 -0.79 -4.91 119.66 124.60 1fhs s GLN 55 Ca 0.66 -0.84 0.03 0.00 0.05 0.00 0.00 55.36 55.27 1fhs s GLN 55 Cb -0.28 -2.80 0.00 0.00 1.10 0.00 0.00 33.01 31.04 1fhs s GLN 55 CO 0.24 0.43 -0.14 -1.01 -0.55 0.00 0.00 175.29 174.26 1fhs s HIS 56 N -2.00 1.42 -0.29 1.67 3.76 -1.26 -2.13 115.29 116.46 1fhs s HIS 56 Ca 0.34 -0.41 -0.00 0.00 -0.15 0.00 0.00 55.06 54.84 1fhs s HIS 56 Cb -0.09 -0.98 0.09 0.00 1.11 0.00 0.00 32.58 32.71 1fhs s HIS 56 CO 0.28 -0.16 0.06 -0.06 -0.85 0.00 0.00 174.74 174.01 1fhs s PHE 57 N 0.18 2.06 -0.25 1.40 0.08 0.22 -4.97 117.98 116.71 1fhs s PHE 57 Ca -0.05 -1.83 -0.29 0.00 0.12 0.00 0.00 56.93 54.88 1fhs s PHE 57 Cb -0.11 -1.80 -0.02 0.00 -0.57 0.00 0.00 43.02 40.52 1fhs s PHE 57 CO 0.02 -0.84 1.59 0.15 -0.10 0.00 0.00 175.22 176.04 1fhs s LYS 58 N 1.50 3.75 -1.05 0.44 1.02 -1.26 0.03 119.74 124.16 1fhs s LYS 58 Ca 0.06 1.55 -0.23 0.00 0.02 0.00 0.00 55.97 57.37 1fhs s LYS 58 Cb -0.18 -4.03 -0.00 0.00 -0.52 0.00 0.00 37.83 33.10 1fhs s LYS 58 CO -0.17 -1.35 1.74 0.08 -0.92 0.00 0.00 175.35 174.73 1fhs s VAL 59 N 5.29 3.73 0.63 3.17 1.01 0.33 -4.54 120.40 130.03 1fhs s VAL 59 Ca 0.70 -0.84 -0.12 0.00 0.00 0.00 0.00 61.98 61.72 1fhs s VAL 59 Cb -0.23 -4.65 -0.03 0.00 0.00 0.00 0.00 36.38 31.47 1fhs s VAL 59 CO 0.29 -1.46 1.04 -0.76 0.00 0.00 0.00 175.10 174.20 1fhs s LEU 60 N 7.57 3.26 0.32 3.92 1.43 -0.59 -4.15 118.68 130.43 1fhs s LEU 60 Ca 0.59 1.51 0.08 0.00 -1.03 0.00 0.00 54.13 55.29 1fhs s LEU 60 Cb -0.02 -4.48 -0.06 0.00 0.03 0.00 0.00 46.19 41.66 1fhs s LEU 60 CO -0.00 -1.02 -0.08 -0.60 0.23 0.00 0.00 176.35 174.87 1fhs s ARG 61 N -4.96 1.71 0.00 1.70 3.00 -1.26 -1.05 118.95 118.08 1fhs s ARG 61 Ca 0.57 -1.87 0.00 0.00 -1.00 0.00 0.00 55.73 53.42 1fhs s ARG 61 Cb -0.12 -1.48 0.00 0.00 0.00 0.00 0.00 34.95 33.35 1fhs s ARG 61 CO 0.51 0.10 0.00 -0.25 0.00 0.00 0.00 175.30 175.66 1fhs n ASP 62 N -0.70 0.00 0.00 -2.12 8.00 -1.18 -5.03 116.55 115.52 1fhs n ASP 62 Ca -0.05 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.45 1fhs n ASP 62 Cb 0.63 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.73 1fhs n ASP 62 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1fhs n GLY 63 N 2.83 -1.39 2.58 0.44 0.00 -1.26 -4.88 105.19 103.51 1fhs n GLY 63 Ca 0.00 0.55 -0.10 0.00 0.00 0.00 0.00 46.02 46.47 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 3.06 0.40 4.61 0.00 -1.26 -5.02 120.51 122.30 1fhs n ALA 64 Ca 0.00 -3.09 0.00 0.00 0.00 0.00 0.00 53.44 50.35 1fhs n ALA 64 Cb 0.00 -0.94 0.00 0.00 0.00 0.00 0.00 19.45 18.51 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 -0.18 7.00 0.00 0.00 -1.26 -4.92 105.19 105.80 1fhs n GLY 65 Ca 0.11 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.13 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 -0.46 0.00 -4.21 1.61 5.02 -1.26 -4.46 118.16 114.40 1fhs n LYS 66 Ca 0.00 0.00 -0.33 0.00 -2.02 0.00 0.00 58.31 55.96 1fhs n LYS 66 Cb 0.00 0.00 -0.08 0.00 -0.02 0.00 0.00 35.03 34.93 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 3.20 0.00 2.13 2.02 -1.16 -3.10 117.35 120.43 1fhs s TYR 67 Ca 0.00 0.17 0.00 0.00 -0.37 0.00 0.00 57.07 56.87 1fhs s TYR 67 Cb 0.00 -1.73 0.00 0.00 -0.40 0.00 0.00 41.96 39.83 1fhs s TYR 67 CO 0.00 0.51 0.00 1.97 -1.57 0.00 0.00 175.55 176.46 1fhs n PHE 68 N 1.45 -0.35 0.00 2.71 -1.74 -0.21 0.16 117.46 119.47 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 0.53 0.00 0.00 0.00 1.52 0.00 0.00 39.48 41.53 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 0.78 0.00 5.98 4.32 -1.26 -1.55 117.00 125.27 1fhs n LEU 69 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 56.01 55.99 1fhs n LEU 69 Cb 0.00 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 41.80 1fhs n LEU 69 CO 0.00 0.04 -0.19 0.79 -1.22 0.00 0.00 177.39 176.81 1fhs n TRP 70 N -2.62 0.00 0.00 -1.77 8.01 -1.26 -4.84 117.44 114.97 1fhs n TRP 70 Ca 0.00 0.00 0.00 0.00 -1.31 0.00 0.00 57.50 56.19 1fhs n TRP 70 Cb 0.35 0.09 0.00 0.00 -2.01 0.00 0.00 31.31 29.74 1fhs n TRP 70 CO 0.00 0.00 0.00 0.28 -1.01 0.00 0.00 177.69 176.96 1fhs n VAL 71 N -2.11 0.00 -1.63 -0.99 0.31 -1.26 -5.10 118.33 107.56 1fhs n VAL 71 Ca 0.00 0.00 -0.46 0.00 -0.01 0.00 0.00 64.34 63.87 1fhs n VAL 71 Cb 0.19 0.00 -0.03 0.00 -0.91 0.00 0.00 33.84 33.09 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 -0.53 1.25 -3.40 2.52 0.24 -1.26 -4.83 118.33 112.31 1fhs n VAL 72 Ca 0.00 -0.31 -0.22 0.00 -2.04 0.00 0.00 64.34 61.77 1fhs n VAL 72 Cb 0.00 -1.17 0.02 0.00 -1.47 0.00 0.00 33.84 31.21 1fhs n VAL 72 CO 0.00 0.00 0.00 -1.59 -2.14 0.00 0.00 176.83 173.10 1fhs s LYS 73 N -0.77 2.39 -0.09 7.34 0.00 -1.26 -4.05 119.74 123.30 1fhs s LYS 73 Ca 0.67 -1.70 -0.08 0.00 0.00 0.00 0.00 55.97 54.86 1fhs s LYS 73 Cb -0.72 -2.43 0.03 0.00 0.00 0.00 0.00 37.83 34.70 1fhs s LYS 73 CO 0.54 -0.60 0.24 -0.06 0.00 0.00 0.00 175.35 175.47 1fhs s PHE 74 N -2.63 -0.27 -1.10 1.78 0.08 0.41 -4.93 117.98 111.32 1fhs s PHE 74 Ca 0.50 0.66 0.10 0.00 0.12 0.00 0.00 56.93 58.30 1fhs s PHE 74 Cb -0.05 0.08 0.43 0.00 -0.57 0.00 0.00 43.02 42.91 1fhs s PHE 74 CO 0.31 -0.14 1.28 0.27 -0.10 0.00 0.00 175.22 176.83 1fhs n ASN 75 N 3.17 0.00 -3.57 1.36 0.23 -1.26 -3.00 115.26 112.19 1fhs n ASN 75 Ca -0.15 0.42 -0.11 0.00 -0.53 0.00 0.00 54.58 54.21 1fhs n ASN 75 Cb 0.57 -0.45 -0.05 0.00 -2.08 0.00 0.00 39.78 37.77 1fhs n ASN 75 CO 0.00 0.00 0.00 -0.44 -0.93 0.00 0.00 177.26 175.89 1fhs s SER 76 N -2.90 -0.40 0.31 0.53 0.01 -1.26 -4.96 113.70 105.03 1fhs s SER 76 Ca 0.06 0.43 0.07 0.00 1.31 0.00 0.00 55.95 57.81 1fhs s SER 76 Cb 0.06 0.33 0.83 0.00 0.21 0.00 0.00 66.02 67.45 1fhs s SER 76 CO 0.17 -0.37 1.67 -0.07 0.41 0.00 0.00 173.24 175.04 1fhs h LEU 77 N 2.59 0.27 -0.78 2.44 3.38 -1.97 1.24 115.31 122.48 1fhs h LEU 77 Ca -0.19 0.18 0.08 0.00 0.09 0.00 0.00 57.88 58.04 1fhs h LEU 77 Cb 1.16 0.18 -0.07 0.00 0.09 0.00 0.00 40.66 42.03 1fhs h LEU 77 CO 0.32 -0.10 0.44 -1.13 0.09 0.00 0.00 178.44 178.06 1fhs h ASN 78 N 0.31 0.65 -0.34 -0.43 -1.24 -1.97 0.32 115.58 112.89 1fhs h ASN 78 Ca 0.61 0.04 -0.05 0.00 0.71 0.00 0.00 56.30 57.61 1fhs h ASN 78 Cb 1.27 -0.09 -0.02 0.00 0.73 0.00 0.00 38.32 40.21 1fhs h ASN 78 CO -0.60 0.39 0.06 -0.08 -1.29 0.00 0.00 177.43 175.91 1fhs h GLU 79 N 0.78 0.65 0.00 6.67 4.57 0.11 1.04 114.58 128.39 1fhs h GLU 79 Ca 0.36 -0.13 0.01 0.00 -1.18 0.00 0.00 59.36 58.42 1fhs h GLU 79 Cb 0.28 -0.10 -0.01 0.00 -0.16 0.00 0.00 28.75 28.76 1fhs h GLU 79 CO -0.22 0.62 -0.06 1.25 -1.18 0.00 0.00 179.01 179.42 1fhs h LEU 80 N 0.62 -0.17 -1.03 1.64 6.46 0.10 0.79 115.31 123.73 1fhs h LEU 80 Ca 0.14 0.03 0.00 0.00 -0.12 0.00 0.00 57.88 57.92 1fhs h LEU 80 Cb 0.30 0.07 0.00 0.00 -0.73 0.00 0.00 40.66 40.30 1fhs h LEU 80 CO 0.00 -0.09 0.00 0.52 -0.62 0.00 0.00 178.44 178.25 1fhs n VAL 81 N -5.18 1.03 0.07 1.05 0.31 0.95 -0.71 118.33 115.86 1fhs n VAL 81 Ca -0.06 0.53 -0.01 0.00 -0.01 0.00 0.00 64.34 64.79 1fhs n VAL 81 Cb 0.10 -1.49 -0.05 0.00 -0.91 0.00 0.00 33.84 31.49 1fhs n VAL 81 CO 0.00 0.00 0.00 0.44 -1.32 0.00 0.00 176.83 175.95 1fhs h ASP 82 N 0.00 0.00 -0.16 4.52 3.32 0.32 -3.37 116.42 121.04 1fhs h ASP 82 Ca 0.00 0.00 -0.20 0.00 0.02 0.00 0.00 57.03 56.85 1fhs h ASP 82 Cb 0.14 0.00 0.01 0.00 0.22 0.00 0.00 39.33 39.70 1fhs h ASP 82 CO 0.00 0.64 -0.68 0.22 -1.72 0.00 0.00 179.24 177.70 1fhs h TYR 83 N 0.00 1.00 -1.14 4.55 3.20 0.12 -3.07 116.97 121.63 1fhs h TYR 83 Ca -0.09 -0.43 0.34 0.00 3.14 0.00 0.00 58.73 61.70 1fhs h TYR 83 Cb 1.57 -0.16 -0.12 0.00 1.54 0.00 0.00 36.73 39.56 1fhs h TYR 83 CO 0.00 1.25 0.72 1.12 -1.64 0.00 0.00 178.16 179.61 1fhs h HIS 84 N 0.47 0.65 0.00 -3.82 2.07 -1.67 0.97 115.15 113.81 1fhs h HIS 84 Ca -0.04 0.03 0.00 0.00 -2.85 0.00 0.00 60.37 57.51 1fhs h HIS 84 Cb 1.31 -0.18 0.00 0.00 2.57 0.00 0.00 27.41 31.12 1fhs h HIS 84 CO 0.09 -0.09 0.00 -2.13 -3.07 0.00 0.00 177.93 172.73 1fhs n ARG 85 N -4.73 0.67 0.00 5.12 0.63 -1.16 -1.90 116.66 115.29 1fhs n ARG 85 Ca 0.31 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 57.24 1fhs n ARG 85 Cb 1.12 -1.16 0.00 0.00 0.45 0.00 0.00 32.46 32.86 1fhs n ARG 85 CO 0.00 0.00 0.00 0.45 -2.51 0.00 0.00 177.63 175.57 1fhs n SER 86 N 1.40 0.55 -2.70 6.15 2.88 0.33 -4.99 113.62 117.24 1fhs n SER 86 Ca 0.00 0.00 -0.07 0.00 -1.33 0.00 0.00 58.87 57.47 1fhs n SER 86 Cb 0.34 0.00 0.09 0.00 -0.75 0.00 0.00 64.21 63.88 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 -1.81 0.00 -0.96 2.46 5.66 -1.06 -5.15 114.28 113.42 1fhs n THR 87 Ca 0.00 -1.22 0.10 0.00 -3.05 0.00 0.00 64.05 59.87 1fhs n THR 87 Cb 0.08 1.14 -0.02 0.00 -1.55 0.00 0.00 70.33 69.98 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 -0.03 -4.46 -1.96 1.09 3.41 -0.80 -4.53 113.62 106.34 1fhs n SER 88 Ca -0.04 0.75 -0.08 0.00 -0.26 0.00 0.00 58.87 59.25 1fhs n SER 88 Cb 0.75 -2.32 0.06 0.00 -0.26 0.00 0.00 64.21 62.43 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 -2.36 1.76 0.00 -3.33 3.14 -1.19 -4.63 118.33 111.72 1fhs n VAL 89 Ca 0.00 -3.24 0.00 0.00 -2.96 0.00 0.00 64.34 58.14 1fhs n VAL 89 Cb 0.32 0.04 0.00 0.00 -1.06 0.00 0.00 33.84 33.13 1fhs n VAL 89 CO 0.00 0.00 0.00 -1.54 -6.46 0.00 0.00 176.83 168.83 1fhs n SER 90 N -0.59 0.00 0.00 6.55 3.41 -1.26 -4.94 113.62 116.78 1fhs n SER 90 Ca 0.24 0.00 0.05 0.00 -0.26 0.00 0.00 58.87 58.89 1fhs n SER 90 Cb 0.89 0.00 0.29 0.00 -0.26 0.00 0.00 64.21 65.13 1fhs n SER 90 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 1fhs n ARG 91 N 0.00 0.40 0.21 4.33 1.74 -1.26 -2.56 116.66 119.53 1fhs n ARG 91 Ca 0.00 0.00 -0.13 0.00 -0.77 0.00 0.00 57.85 56.95 1fhs n ARG 91 Cb 0.00 -1.38 -0.07 0.00 -1.02 0.00 0.00 32.46 29.99 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 -0.49 0.00 0.55 2.35 -2.01 -3.43 115.58 112.54 1fhs h ASN 92 Ca 0.00 -0.10 -0.13 0.00 -0.55 0.00 0.00 56.30 55.52 1fhs h ASN 92 Cb 0.00 0.13 -0.12 0.00 0.05 0.00 0.00 38.32 38.38 1fhs h ASN 92 CO 0.00 -0.09 -0.23 0.00 -1.65 0.00 0.00 177.43 175.46 1fhs n GLN 93 N -5.20 0.88 -1.57 0.81 10.64 -1.22 -5.13 117.38 116.59 1fhs n GLN 93 Ca -0.10 -0.97 0.00 0.00 -1.83 0.00 0.00 57.00 54.11 1fhs n GLN 93 Cb 0.29 0.39 0.00 0.00 -0.86 0.00 0.00 30.24 30.06 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 -1.00 -4.48 -3.75 2.61 6.02 -1.06 -5.04 117.38 110.69 1fhs n GLN 94 Ca -0.17 3.31 -0.13 0.00 -0.01 0.00 0.00 57.00 60.00 1fhs n GLN 94 Cb 0.77 -3.71 -0.10 0.00 1.02 0.00 0.00 30.24 28.22 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 -3.04 0.00 -0.08 5.09 1.01 -1.26 -4.93 121.20 117.99 1fhs s ILE 95 Ca 0.00 -0.03 0.04 0.00 0.00 0.00 0.00 60.65 60.67 1fhs s ILE 95 Cb 0.00 -0.51 -0.01 0.00 0.01 0.00 0.00 42.46 41.95 1fhs s ILE 95 CO 0.00 -0.01 -0.22 -0.36 0.00 0.00 0.00 174.94 174.34 1fhs s PHE 96 N 0.10 2.55 -0.60 3.97 0.08 -1.26 -3.18 117.98 119.64 1fhs s PHE 96 Ca -0.01 -0.79 -0.22 0.00 0.12 0.00 0.00 56.93 56.04 1fhs s PHE 96 Cb -0.03 -1.67 0.07 0.00 -0.57 0.00 0.00 43.02 40.82 1fhs s PHE 96 CO 0.01 -0.26 0.86 -0.51 -0.10 0.00 0.00 175.22 175.21 1fhs s LEU 97 N 0.04 4.61 0.00 -0.37 1.43 -1.26 -3.91 118.68 119.23 1fhs s LEU 97 Ca -0.09 -0.94 0.00 0.00 -1.03 0.00 0.00 54.13 52.07 1fhs s LEU 97 Cb -0.15 -2.48 0.00 0.00 0.03 0.00 0.00 46.19 43.59 1fhs s LEU 97 CO 0.06 -1.25 0.00 0.54 0.23 0.00 0.00 176.35 175.93 1fhs n ARG 98 N 7.15 0.00 0.00 1.70 5.12 -0.66 -4.93 116.66 125.04 1fhs n ARG 98 Ca -0.04 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.88 1fhs n ARG 98 Cb 0.45 0.00 0.00 0.00 -1.16 0.00 0.00 32.46 31.75 1fhs n ARG 98 CO 0.00 0.00 0.00 -3.47 -1.93 0.00 0.00 177.63 172.23 1fhs n ASP 99 N 0.00 0.00 -1.39 0.55 2.03 -1.26 -2.92 116.55 113.55 1fhs n ASP 99 Ca 0.00 0.00 -0.00 0.00 0.52 0.00 0.00 54.79 55.31 1fhs n ASP 99 Cb 0.00 0.00 -0.00 0.00 -0.72 0.00 0.00 41.12 40.40 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 0.00 -0.00 -3.40 5.18 3.06 -1.26 -4.80 119.36 118.14 1fhs n ILE 100 Ca 0.00 0.00 -0.20 0.00 -2.50 0.00 0.00 62.75 60.05 1fhs n ILE 100 Cb 0.00 -0.02 -0.09 0.00 0.54 0.00 0.00 39.64 40.07 1fhs n ILE 100 CO 0.00 0.00 0.00 -0.70 -2.50 0.00 0.00 176.55 173.35 1fhs s GLU 101 N -2.79 0.51 0.00 9.51 -6.30 -1.26 -4.93 118.70 113.44 1fhs s GLU 101 Ca 0.00 -0.73 0.00 0.00 -2.50 0.00 0.00 54.97 51.74 1fhs s GLU 101 Cb 0.00 -0.83 0.00 0.00 0.00 0.00 0.00 34.13 33.30 1fhs s GLU 101 CO 0.00 -1.14 0.00 1.04 0.02 0.00 0.00 175.26 175.18 1fhs n GLN 102 N 4.56 0.00 -0.03 4.30 6.02 -1.26 -4.63 117.38 126.33 1fhs n GLN 102 Ca 0.07 0.00 -0.03 0.00 -0.01 0.00 0.00 57.00 57.02 1fhs n GLN 102 Cb 0.44 0.00 -0.01 0.00 1.02 0.00 0.00 30.24 31.69 1fhs n GLN 102 CO 0.00 0.00 0.00 1.33 -1.01 0.00 0.00 177.06 177.38 1fhs n VAL 103 N 0.00 0.58 -1.48 5.09 0.24 -1.26 -4.97 118.33 116.53 1fhs n VAL 103 Ca 0.00 0.34 -0.56 0.00 -2.04 0.00 0.00 64.34 62.07 1fhs n VAL 103 Cb 0.00 -1.77 -0.07 0.00 -1.47 0.00 0.00 33.84 30.53 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 -3.23 0.03 -0.96 7.34 -0.02 -1.26 0.53 135.00 137.43 1fhs n PRO 104 Ca -0.05 0.01 -0.20 0.00 -2.02 0.00 0.00 63.50 61.24 1fhs n PRO 104 Cb 0.18 -1.41 0.07 0.00 -0.02 0.00 0.00 33.50 32.33 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 1.41 2.00 0.00 -0.52 1.13 -1.26 -4.88 117.38 115.27 1fhs n GLN 105 Ca 0.19 -2.08 0.00 0.00 -1.94 0.00 0.00 57.00 53.17 1fhs n GLN 105 Cb 0.12 -1.82 0.00 0.00 0.11 0.00 0.00 30.24 28.65 1fhs n GLN 105 CO 0.00 0.00 0.00 1.04 -1.44 0.00 0.00 177.06 176.66 1fhs n GLN 106 N -0.25 0.00 -2.29 -1.09 6.02 0.19 -4.71 117.38 115.25 1fhs n GLN 106 Ca 0.40 0.00 -0.42 0.00 -0.01 0.00 0.00 57.00 56.97 1fhs n GLN 106 Cb 0.83 -0.51 -0.03 0.00 1.02 0.00 0.00 30.24 31.56 1fhs n GLN 106 CO 0.00 0.00 0.00 -1.25 -1.01 0.00 0.00 177.06 174.80 1fhs s PRO 107 N -0.26 4.26 0.00 -1.09 0.04 -1.26 -4.96 135.00 131.73 1fhs s PRO 107 Ca 0.00 1.86 0.00 0.00 0.04 0.00 0.00 61.00 62.90 1fhs s PRO 107 Cb 0.00 -3.71 0.00 0.00 0.04 0.00 0.00 34.50 30.83 1fhs s PRO 107 CO 0.00 -0.64 0.31 2.41 0.04 0.00 0.00 177.00 179.12 1fhs n THR 108 N 5.03 0.00 -1.93 1.26 -1.04 -1.26 -4.81 114.28 111.53 1fhs n THR 108 Ca 0.14 0.81 0.00 0.00 -2.04 0.00 0.00 64.05 62.96 1fhs n THR 108 Cb 0.44 -1.46 0.00 0.00 -1.82 0.00 0.00 70.33 67.49 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 -0.52 -4.81 -3.55 -1.42 9.36 -1.26 -5.05 117.16 109.91 1fhs n TYR 109 Ca 0.00 2.69 -0.02 0.00 3.32 0.00 0.00 57.90 63.89 1fhs n TYR 109 Cb 0.00 -3.66 -0.05 0.00 -0.63 0.00 0.00 39.34 35.00 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 -1.29 -0.90 -0.18 2.97 0.11 -1.26 -5.02 120.40 114.83 1fhs s VAL 110 Ca 0.00 0.03 -0.29 0.00 -2.93 0.00 0.00 61.98 58.79 1fhs s VAL 110 Cb 0.00 -0.91 0.00 0.00 -1.53 0.00 0.00 36.38 33.94 1fhs s VAL 110 CO 0.00 0.01 1.04 -1.58 -3.33 0.00 0.00 175.10 171.24 1fhs s GLN 111 N 2.81 4.32 0.00 1.54 0.74 -1.26 -5.24 119.66 122.56 1fhs s GLN 111 Ca 0.01 1.39 0.00 0.00 0.05 0.00 0.00 55.36 56.81 1fhs s GLN 111 Cb -0.13 -3.61 0.00 0.00 1.10 0.00 0.00 33.01 30.37 1fhs s GLN 111 CO -0.18 -0.52 0.00 0.00 -0.55 0.00 0.00 175.29 174.04