#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 1.48 -3.44 -0.61 3.06 -1.26 -4.99 119.36 113.60 1fhs n ILE 2 Ca 0.00 -3.37 -0.43 0.00 -2.50 0.00 0.00 62.75 56.45 1fhs n ILE 2 Cb 0.00 0.47 -0.09 0.00 0.54 0.00 0.00 39.64 40.56 1fhs n ILE 2 CO 0.00 0.00 0.00 -0.70 -2.50 0.00 0.00 176.55 173.35 1fhs s GLU 3 N -3.53 2.95 -0.30 9.51 -6.30 -1.26 -5.03 118.70 114.73 1fhs s GLU 3 Ca 0.33 -1.20 -0.16 0.00 -2.50 0.00 0.00 54.97 51.44 1fhs s GLU 3 Cb 0.39 -4.03 -0.02 0.00 0.00 0.00 0.00 34.13 30.47 1fhs s GLU 3 CO -0.02 -0.89 0.42 -1.64 0.02 0.00 0.00 175.26 173.15 1fhs s MET 4 N 1.64 3.84 0.00 4.30 -1.94 -1.26 -4.73 119.30 121.16 1fhs s MET 4 Ca 0.04 -0.07 0.00 0.00 -1.71 0.00 0.00 55.69 53.95 1fhs s MET 4 Cb -0.22 -3.72 0.00 0.00 2.01 0.00 0.00 34.83 32.90 1fhs s MET 4 CO 0.08 -0.41 0.00 1.17 -0.01 0.00 0.00 175.02 175.84 1fhs n LYS 5 N 5.45 -0.65 -1.69 2.03 4.81 -1.26 -4.68 118.16 122.18 1fhs n LYS 5 Ca -0.07 0.91 -0.55 0.00 -0.87 0.00 0.00 58.31 57.73 1fhs n LYS 5 Cb 0.50 -0.87 -0.06 0.00 0.02 0.00 0.00 35.03 34.62 1fhs n LYS 5 CO 0.00 0.00 0.00 -2.30 1.17 0.00 0.00 177.40 176.27 1fhs n PRO 6 N 1.75 1.41 -3.11 1.64 -0.02 -1.26 -4.92 135.00 130.49 1fhs n PRO 6 Ca 0.00 0.51 -0.42 0.00 -2.02 0.00 0.00 63.50 61.58 1fhs n PRO 6 Cb 0.28 -2.23 -0.07 0.00 -0.02 0.00 0.00 33.50 31.47 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 3.19 3.17 -0.29 6.00 3.76 -1.26 -5.03 115.29 124.83 1fhs s HIS 7 Ca 0.95 0.41 -0.21 0.00 -0.15 0.00 0.00 55.06 56.06 1fhs s HIS 7 Cb -0.96 -3.10 -0.01 0.00 1.11 0.00 0.00 32.58 29.62 1fhs s HIS 7 CO 0.59 -0.59 0.69 -1.25 -0.85 0.00 0.00 174.74 173.33 1fhs s PRO 8 N 2.68 3.98 -0.42 8.40 0.04 -1.26 -3.07 135.00 145.35 1fhs s PRO 8 Ca 0.25 0.47 0.10 0.00 0.04 0.00 0.00 61.00 61.86 1fhs s PRO 8 Cb -0.15 -3.71 0.34 0.00 0.04 0.00 0.00 34.50 31.03 1fhs s PRO 8 CO 0.14 -0.57 0.77 0.91 0.04 0.00 0.00 177.00 178.29 1fhs n TRP 9 N 5.94 1.08 -3.19 0.56 8.01 -1.26 -5.09 117.44 123.48 1fhs n TRP 9 Ca 0.01 -3.85 -0.40 0.00 -1.31 0.00 0.00 57.50 51.95 1fhs n TRP 9 Cb 0.49 -0.43 -0.06 0.00 -2.01 0.00 0.00 31.31 29.29 1fhs n TRP 9 CO 0.00 0.00 0.00 0.12 -1.01 0.00 0.00 177.69 176.80 1fhs s PHE 10 N -2.60 3.38 -0.43 -5.99 2.19 -1.17 -0.86 117.98 112.49 1fhs s PHE 10 Ca 0.42 0.84 0.02 0.00 0.33 0.00 0.00 56.93 58.54 1fhs s PHE 10 Cb 0.32 -2.72 0.13 0.00 -1.31 0.00 0.00 43.02 39.43 1fhs s PHE 10 CO -0.09 -0.13 0.21 -0.06 1.83 0.00 0.00 175.22 176.98 1fhs s PHE 11 N 1.73 2.26 -0.17 10.12 0.40 -0.55 -4.94 117.98 126.83 1fhs s PHE 11 Ca 0.26 -2.49 -0.33 0.00 -0.60 0.00 0.00 56.93 53.77 1fhs s PHE 11 Cb -0.16 -2.09 -0.11 0.00 0.51 0.00 0.00 43.02 41.18 1fhs s PHE 11 CO 0.10 -0.80 2.00 0.41 0.70 0.00 0.00 175.22 177.63 1fhs n GLY 12 N 3.70 1.18 3.26 4.36 0.00 -1.26 -2.19 105.19 114.25 1fhs n GLY 12 Ca 0.06 0.87 -0.22 0.00 0.00 0.00 0.00 46.02 46.73 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 7.32 -0.87 -1.85 1.61 2.85 0.68 -4.73 118.16 123.17 1fhs n LYS 13 Ca 0.28 0.07 -0.42 0.00 -1.05 0.00 0.00 58.31 57.19 1fhs n LYS 13 Cb 0.30 -2.48 -0.03 0.00 -0.65 0.00 0.00 35.03 32.18 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 -2.60 2.47 -0.21 0.58 1.10 -0.93 -4.84 121.20 116.77 1fhs s ILE 14 Ca 0.36 0.29 -0.41 0.00 -0.51 0.00 0.00 60.65 60.38 1fhs s ILE 14 Cb -0.21 -3.18 -0.17 0.00 0.15 0.00 0.00 42.46 39.05 1fhs s ILE 14 CO 0.57 0.02 1.56 -2.65 -2.11 0.00 0.00 174.94 172.33 1fhs n PRO 15 N 4.25 0.84 -0.28 3.50 -0.02 -1.26 -4.64 135.00 137.39 1fhs n PRO 15 Ca 0.15 0.31 0.23 0.00 -2.02 0.00 0.00 63.50 62.17 1fhs n PRO 15 Cb 0.38 -1.93 0.43 0.00 -0.02 0.00 0.00 33.50 32.36 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 4.12 -0.06 0.00 -0.52 0.63 -1.26 -0.40 116.66 119.17 1fhs n ARG 16 Ca 0.25 1.21 0.00 0.00 -0.92 0.00 0.00 57.85 58.38 1fhs n ARG 16 Cb 0.10 -2.09 0.00 0.00 0.45 0.00 0.00 32.46 30.92 1fhs n ARG 16 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1fhs n ALA 17 N -2.61 0.00 -0.19 5.13 0.00 -1.26 -1.05 120.51 120.53 1fhs n ALA 17 Ca 0.29 0.00 0.14 0.00 0.00 0.00 0.00 53.44 53.87 1fhs n ALA 17 Cb 0.97 0.04 0.27 0.00 0.00 0.00 0.00 19.45 20.74 1fhs n ALA 17 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 1fhs n LYS 18 N -0.52 -0.04 0.02 0.00 0.00 0.47 0.15 118.16 118.24 1fhs n LYS 18 Ca 0.00 0.82 -0.01 0.00 0.00 0.00 0.00 58.31 59.12 1fhs n LYS 18 Cb 0.00 -1.40 -0.00 0.00 0.00 0.00 0.00 35.03 33.62 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 1.15 -0.92 -0.48 3.14 0.00 -0.63 -2.27 119.26 119.24 1fhs h ALA 19 Ca 0.43 -0.01 0.09 0.00 0.00 0.00 0.00 54.91 55.42 1fhs h ALA 19 Cb 1.06 0.12 -0.10 0.00 0.00 0.00 0.00 17.79 18.87 1fhs h ALA 19 CO -0.48 -0.92 -0.27 0.93 0.00 0.00 0.00 179.25 178.52 1fhs h GLU 20 N -0.06 -0.15 0.00 0.00 5.08 0.31 0.35 114.58 120.12 1fhs h GLU 20 Ca -0.01 0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.37 1fhs h GLU 20 Cb 0.04 0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.33 1fhs h GLU 20 CO 0.01 -0.10 0.00 0.39 -1.00 0.00 0.00 179.01 178.30 1fhs n GLU 21 N -5.42 0.00 -0.07 2.33 -0.58 0.15 0.15 120.64 117.21 1fhs n GLU 21 Ca 0.03 0.12 -0.08 0.00 -0.42 0.00 0.00 57.16 56.82 1fhs n GLU 21 Cb 0.33 -0.63 -0.01 0.00 -0.57 0.00 0.00 31.44 30.56 1fhs n GLU 21 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1fhs h MET 22 N 0.00 -0.22 -0.22 3.49 -0.00 -1.37 0.83 114.93 117.44 1fhs h MET 22 Ca 0.00 0.01 0.07 0.00 -0.00 0.00 0.00 59.70 59.78 1fhs h MET 22 Cb 0.00 0.05 -0.01 0.00 -0.00 0.00 0.00 31.60 31.64 1fhs h MET 22 CO 0.00 -0.15 0.63 1.25 -0.00 0.00 0.00 176.91 178.64 1fhs h LEU 23 N -0.23 0.00 0.13 -0.10 5.85 -0.07 1.13 115.31 122.02 1fhs h LEU 23 Ca 0.15 0.00 -0.30 0.00 0.84 0.00 0.00 57.88 58.57 1fhs h LEU 23 Cb 0.47 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 41.49 1fhs h LEU 23 CO -0.42 0.00 -1.48 -1.28 -0.34 0.00 0.00 178.44 174.92 1fhs h SER 24 N 0.00 0.43 -0.89 1.25 0.87 0.85 -3.19 113.55 112.87 1fhs h SER 24 Ca 0.11 -0.56 0.26 0.00 -1.23 0.00 0.00 61.79 60.37 1fhs h SER 24 Cb 1.37 -0.14 -0.04 0.00 -0.44 0.00 0.00 62.40 63.15 1fhs h SER 24 CO -0.00 1.46 1.06 0.07 -0.53 0.00 0.00 176.83 178.88 1fhs h LYS 25 N 0.08 0.00 -6.68 2.24 2.10 0.22 -3.42 116.57 111.10 1fhs h LYS 25 Ca -0.22 0.00 -0.58 0.00 -2.00 0.00 0.00 60.65 57.85 1fhs h LYS 25 Cb 2.02 0.00 0.12 0.00 -0.90 0.00 0.00 32.23 33.47 1fhs h LYS 25 CO 0.18 0.00 0.31 1.04 -2.00 0.00 0.00 179.45 178.98 1fhs n GLN 26 N -3.32 1.67 -0.00 0.07 1.13 -1.17 -4.95 117.38 110.80 1fhs n GLN 26 Ca 0.20 0.59 -0.00 0.00 -1.94 0.00 0.00 57.00 55.85 1fhs n GLN 26 Cb 1.34 -2.15 -0.00 0.00 0.11 0.00 0.00 30.24 29.53 1fhs n GLN 26 CO 0.00 0.00 0.00 -0.09 -1.44 0.00 0.00 177.06 175.53 1fhs h ARG 27 N 1.98 0.00 0.00 -1.09 9.65 -1.92 -3.48 114.38 119.52 1fhs h ARG 27 Ca -0.45 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.43 1fhs h ARG 27 Cb 1.32 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 29.90 1fhs h ARG 27 CO 0.59 0.00 0.00 0.72 2.80 0.00 0.00 179.97 184.08 1fhs n HIS 28 N -2.18 -0.14 -5.04 2.20 8.25 -1.26 -5.05 115.22 112.00 1fhs n HIS 28 Ca -0.00 0.00 -0.30 0.00 -0.26 0.00 0.00 57.72 57.16 1fhs n HIS 28 Cb 0.00 0.00 -0.17 0.00 1.12 0.00 0.00 29.99 30.94 1fhs n HIS 28 CO 0.00 0.00 0.00 0.16 0.64 0.00 0.00 176.34 177.14 1fhs s ASP 29 N -1.20 2.71 0.00 0.41 -4.77 -1.26 -4.77 116.67 107.80 1fhs s ASP 29 Ca 0.00 -0.48 0.00 0.00 -3.30 0.00 0.00 52.55 48.77 1fhs s ASP 29 Cb 0.00 -1.21 0.00 0.00 -1.09 0.00 0.00 42.92 40.62 1fhs s ASP 29 CO 0.00 0.13 0.00 0.61 0.70 0.00 0.00 175.17 176.61 1fhs n GLY 30 N 3.56 1.55 3.76 2.12 0.00 -1.25 -4.64 105.19 110.29 1fhs n GLY 30 Ca -0.20 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.47 1fhs n GLY 30 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1fhs s ALA 31 N -2.00 3.72 0.05 4.61 0.00 -1.26 0.14 121.76 127.03 1fhs s ALA 31 Ca 0.00 -0.67 -0.04 0.00 0.00 0.00 0.00 51.96 51.24 1fhs s ALA 31 Cb 0.00 -2.14 -0.02 0.00 0.00 0.00 0.00 23.12 20.96 1fhs s ALA 31 CO 0.00 0.25 0.07 -0.59 0.00 0.00 0.00 175.76 175.49 1fhs s PHE 32 N 0.09 0.30 0.01 0.00 -0.71 -1.14 -2.12 117.98 114.41 1fhs s PHE 32 Ca 0.10 -0.71 -0.13 0.00 -1.04 0.00 0.00 56.93 55.15 1fhs s PHE 32 Cb -0.11 -0.21 0.02 0.00 -1.21 0.00 0.00 43.02 41.51 1fhs s PHE 32 CO -0.01 -0.40 0.26 -0.48 -1.34 0.00 0.00 175.22 173.25 1fhs s LEU 33 N -2.53 1.05 -0.32 -1.99 0.05 -1.05 -3.85 118.68 110.03 1fhs s LEU 33 Ca 0.01 -0.09 -0.05 0.00 0.05 0.00 0.00 54.13 54.04 1fhs s LEU 33 Cb 0.03 1.14 0.04 0.00 -2.05 0.00 0.00 46.19 45.35 1fhs s LEU 33 CO -0.08 -0.49 0.07 -0.63 -0.55 0.00 0.00 176.35 174.67 1fhs s ILE 34 N -1.80 3.58 -0.19 1.48 1.01 -0.04 -1.10 121.20 124.14 1fhs s ILE 34 Ca -0.11 -1.14 -0.13 0.00 0.00 0.00 0.00 60.65 59.27 1fhs s ILE 34 Cb -0.04 -3.01 -0.05 0.00 0.01 0.00 0.00 42.46 39.38 1fhs s ILE 34 CO 0.01 -0.12 0.28 0.00 0.00 0.00 0.00 174.94 175.11 1fhs s ARG 35 N 1.38 4.20 -0.08 2.79 1.70 -1.16 -1.48 118.95 126.31 1fhs s ARG 35 Ca -0.02 0.03 -0.30 0.00 -0.47 0.00 0.00 55.73 54.98 1fhs s ARG 35 Cb -0.19 -3.47 -0.02 0.00 -0.57 0.00 0.00 34.95 30.70 1fhs s ARG 35 CO 0.02 0.15 1.04 -2.00 -1.08 0.00 0.00 175.30 173.43 1fhs s GLU 36 N 0.76 4.43 0.34 3.89 2.12 -1.09 -3.73 118.70 125.41 1fhs s GLU 36 Ca 0.15 1.45 -0.29 0.00 0.36 0.00 0.00 54.97 56.65 1fhs s GLU 36 Cb -0.13 -3.53 -0.12 0.00 0.26 0.00 0.00 34.13 30.61 1fhs s GLU 36 CO 0.04 -0.30 1.47 0.43 -0.54 0.00 0.00 175.26 176.35 1fhs n SER 37 N 4.88 3.53 0.00 -1.70 7.64 -1.06 -0.23 113.62 126.68 1fhs n SER 37 Ca 0.09 1.20 0.00 0.00 1.01 0.00 0.00 58.87 61.17 1fhs n SER 37 Cb 0.48 -1.57 0.00 0.00 -1.01 0.00 0.00 64.21 62.11 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 0.95 0.00 0.00 1.43 4.07 -1.26 -4.10 120.64 121.73 1fhs n GLU 38 Ca 0.04 0.00 -0.17 0.00 -0.06 0.00 0.00 57.16 56.97 1fhs n GLU 38 Cb 0.37 -0.43 -0.14 0.00 -0.06 0.00 0.00 31.44 31.18 1fhs n GLU 38 CO 0.00 0.00 0.00 0.77 -0.06 0.00 0.00 177.13 177.84 1fhs h SER 39 N 0.00 0.28 -2.27 4.31 0.02 -2.01 -3.48 113.55 110.40 1fhs h SER 39 Ca 0.00 -0.63 -0.59 0.00 -0.84 0.00 0.00 61.79 59.73 1fhs h SER 39 Cb 0.00 -0.09 0.18 0.00 0.14 0.00 0.00 62.40 62.63 1fhs h SER 39 CO 0.00 1.56 -0.95 0.00 -1.14 0.00 0.00 176.83 176.30 1fhs n ALA 40 N -2.84 -2.57 -1.00 3.77 0.00 -1.26 -4.97 120.51 111.65 1fhs n ALA 40 Ca -0.26 -0.05 0.00 0.00 0.00 0.00 0.00 53.44 53.13 1fhs n ALA 40 Cb 1.05 -1.52 0.00 0.00 0.00 0.00 0.00 19.45 18.98 1fhs n ALA 40 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 1fhs n PRO 41 N 1.07 0.00 -1.31 0.00 -0.04 -1.26 -4.50 135.00 128.97 1fhs n PRO 41 Ca 0.09 0.00 -0.34 0.00 -0.04 0.00 0.00 63.50 63.21 1fhs n PRO 41 Cb 0.47 0.00 -0.06 0.00 -0.04 0.00 0.00 33.50 33.88 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 2.67 4.08 3.49 0.55 0.00 -1.26 -4.76 105.19 109.95 1fhs n GLY 42 Ca 0.00 -1.49 -0.38 0.00 0.00 0.00 0.00 46.02 44.14 1fhs n GLY 42 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1fhs s ASP 43 N 1.96 5.68 -0.04 1.61 1.11 -1.26 -4.50 116.67 121.22 1fhs s ASP 43 Ca 0.68 -0.36 0.01 0.00 0.18 0.00 0.00 52.55 53.07 1fhs s ASP 43 Cb 0.21 -2.04 0.02 0.00 1.07 0.00 0.00 42.92 42.18 1fhs s ASP 43 CO -0.05 -0.15 -0.05 -0.36 1.18 0.00 0.00 175.17 175.74 1fhs s PHE 44 N 1.66 0.76 -0.13 4.23 0.08 -1.24 -2.56 117.98 120.78 1fhs s PHE 44 Ca 0.06 -0.21 0.02 0.00 0.12 0.00 0.00 56.93 56.92 1fhs s PHE 44 Cb -0.17 -0.66 0.00 0.00 -0.57 0.00 0.00 43.02 41.63 1fhs s PHE 44 CO 0.08 -0.18 -0.21 -1.54 -0.10 0.00 0.00 175.22 173.27 1fhs s SER 45 N 0.84 3.26 -0.35 1.36 1.04 -1.24 0.15 113.70 118.75 1fhs s SER 45 Ca -0.11 -0.56 -0.18 0.00 0.48 0.00 0.00 55.95 55.58 1fhs s SER 45 Cb -0.14 -1.47 -0.00 0.00 0.10 0.00 0.00 66.02 64.51 1fhs s SER 45 CO 0.00 0.10 0.52 -0.22 0.98 0.00 0.00 173.24 174.62 1fhs s LEU 46 N 0.69 4.33 0.07 2.42 0.20 0.12 -2.97 118.68 123.54 1fhs s LEU 46 Ca -0.09 -0.00 -0.10 0.00 0.69 0.00 0.00 54.13 54.62 1fhs s LEU 46 Cb -0.16 -2.60 -0.06 0.00 -0.43 0.00 0.00 46.19 42.95 1fhs s LEU 46 CO 0.01 -0.48 0.40 -0.94 -0.29 0.00 0.00 176.35 175.06 1fhs s SER 47 N 1.75 6.66 -0.09 3.68 1.04 -0.26 0.34 113.70 126.83 1fhs s SER 47 Ca 0.19 0.81 -0.07 0.00 0.48 0.00 0.00 55.95 57.36 1fhs s SER 47 Cb -0.15 -2.19 0.03 0.00 0.10 0.00 0.00 66.02 63.81 1fhs s SER 47 CO 0.13 0.19 0.23 -0.69 0.98 0.00 0.00 173.24 174.08 1fhs s VAL 48 N -1.37 -0.01 -0.84 5.02 1.01 0.11 -2.52 120.40 121.80 1fhs s VAL 48 Ca 0.32 0.04 -0.25 0.00 0.00 0.00 0.00 61.98 62.09 1fhs s VAL 48 Cb -0.14 -0.34 -0.01 0.00 0.00 0.00 0.00 36.38 35.89 1fhs s VAL 48 CO 0.18 0.02 1.73 -0.75 0.00 0.00 0.00 175.10 176.27 1fhs s LYS 49 N 0.42 2.88 -0.43 2.72 2.20 -0.90 -0.06 119.74 126.57 1fhs s LYS 49 Ca -0.02 -0.25 -0.01 0.00 -0.36 0.00 0.00 55.97 55.32 1fhs s LYS 49 Cb -0.04 -4.86 0.27 0.00 -1.51 0.00 0.00 37.83 31.70 1fhs s LYS 49 CO -0.02 -2.81 2.06 0.34 -0.36 0.00 0.00 175.35 174.56 1fhs n PHE 50 N 11.97 2.03 -1.63 4.03 7.35 -0.68 -3.85 117.46 136.68 1fhs n PHE 50 Ca 0.29 -2.27 0.00 0.00 -0.76 0.00 0.00 57.45 54.71 1fhs n PHE 50 Cb 0.49 -1.12 0.00 0.00 0.35 0.00 0.00 39.48 39.20 1fhs n PHE 50 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 1fhs n GLY 51 N 0.01 -4.13 4.40 7.13 0.00 -1.26 -4.48 105.19 106.86 1fhs n GLY 51 Ca 0.40 -0.70 0.00 0.00 0.00 0.00 0.00 46.02 45.72 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 -1.81 0.00 -0.36 1.61 4.05 -1.26 -4.73 115.26 112.76 1fhs n ASN 52 Ca 0.00 0.00 0.00 0.00 0.45 0.00 0.00 54.58 55.03 1fhs n ASN 52 Cb 0.25 0.00 0.00 0.00 1.23 0.00 0.00 39.78 41.26 1fhs n ASN 52 CO 0.00 0.00 0.00 -0.90 -3.05 0.00 0.00 177.26 173.31 1fhs n ASP 53 N 0.91 0.00 -4.43 1.20 5.68 -1.26 -5.14 116.55 113.51 1fhs n ASP 53 Ca 0.00 -0.36 -0.35 0.00 -0.50 0.00 0.00 54.79 53.58 1fhs n ASP 53 Cb 0.00 0.00 -0.13 0.00 -1.14 0.00 0.00 41.12 39.85 1fhs n ASP 53 CO 0.00 0.00 0.00 -0.69 -1.33 0.00 0.00 177.20 175.18 1fhs s VAL 54 N -2.43 3.91 0.20 2.12 1.01 -1.26 -1.68 120.40 122.27 1fhs s VAL 54 Ca 0.00 -0.33 0.04 0.00 0.00 0.00 0.00 61.98 61.70 1fhs s VAL 54 Cb 0.00 -2.77 -0.03 0.00 0.00 0.00 0.00 36.38 33.58 1fhs s VAL 54 CO 0.00 0.42 0.32 -1.58 0.00 0.00 0.00 175.10 174.26 1fhs s GLN 55 N 1.09 3.40 -0.02 2.72 0.74 0.91 -4.92 119.66 123.58 1fhs s GLN 55 Ca 0.02 -0.72 0.01 0.00 0.05 0.00 0.00 55.36 54.72 1fhs s GLN 55 Cb -0.14 -2.90 0.01 0.00 1.10 0.00 0.00 33.01 31.08 1fhs s GLN 55 CO 0.01 0.46 -0.03 -3.38 -0.55 0.00 0.00 175.29 171.81 1fhs s HIS 56 N -1.89 0.43 -0.30 1.67 -3.43 -1.26 0.05 115.29 110.57 1fhs s HIS 56 Ca 0.34 -0.07 -0.03 0.00 -0.80 0.00 0.00 55.06 54.50 1fhs s HIS 56 Cb -0.10 -0.40 0.04 0.00 -1.43 0.00 0.00 32.58 30.69 1fhs s HIS 56 CO 0.28 -0.09 0.02 -0.06 -2.00 0.00 0.00 174.74 172.89 1fhs s PHE 57 N 0.55 3.22 -0.63 0.38 0.08 0.15 -4.90 117.98 116.83 1fhs s PHE 57 Ca -0.06 -1.66 -0.27 0.00 0.12 0.00 0.00 56.93 55.06 1fhs s PHE 57 Cb -0.09 -2.15 -0.01 0.00 -0.57 0.00 0.00 43.02 40.20 1fhs s PHE 57 CO -0.01 -0.76 1.72 0.15 -0.10 0.00 0.00 175.22 176.22 1fhs s LYS 58 N 1.31 2.79 -0.97 0.44 -0.14 -1.26 0.12 119.74 122.02 1fhs s LYS 58 Ca -0.03 0.43 -0.24 0.00 -1.36 0.00 0.00 55.97 54.77 1fhs s LYS 58 Cb -0.19 -4.33 -0.03 0.00 -1.68 0.00 0.00 37.83 31.60 1fhs s LYS 58 CO -0.00 -2.56 1.84 0.08 -0.76 0.00 0.00 175.35 173.94 1fhs s VAL 59 N 8.20 3.57 0.72 3.17 1.01 0.39 -4.53 120.40 132.93 1fhs s VAL 59 Ca 0.60 -0.57 -0.11 0.00 0.00 0.00 0.00 61.98 61.90 1fhs s VAL 59 Cb -0.12 -4.32 0.02 0.00 0.00 0.00 0.00 36.38 31.97 1fhs s VAL 59 CO 0.20 -1.18 1.07 -0.76 0.00 0.00 0.00 175.10 174.43 1fhs s LEU 60 N 9.01 3.07 0.59 3.92 1.43 -1.08 -3.64 118.68 131.97 1fhs s LEU 60 Ca 0.65 1.63 0.09 0.00 -1.03 0.00 0.00 54.13 55.46 1fhs s LEU 60 Cb -0.04 -4.45 0.09 0.00 0.03 0.00 0.00 46.19 41.82 1fhs s LEU 60 CO -0.01 -1.60 0.81 -0.60 0.23 0.00 0.00 176.35 175.19 1fhs s ARG 61 N -5.03 2.26 6.56 1.70 6.06 -1.26 -0.63 118.95 128.61 1fhs s ARG 61 Ca 0.59 -1.61 0.00 0.00 -2.50 0.00 0.00 55.73 52.21 1fhs s ARG 61 Cb -0.15 -2.63 0.00 0.00 0.06 0.00 0.00 34.95 32.24 1fhs s ARG 61 CO 0.55 -0.91 0.00 -3.47 -2.50 0.00 0.00 175.30 168.97 1fhs n ASP 62 N -2.29 0.00 0.00 -2.12 2.03 -0.58 -4.83 116.55 108.76 1fhs n ASP 62 Ca 0.16 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.47 1fhs n ASP 62 Cb 0.62 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 41.02 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 0.00 1.42 2.25 0.27 0.00 -1.26 -0.85 105.19 107.02 1fhs n GLY 63 Ca 0.00 -0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.02 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 2.64 -0.66 4.61 0.00 -1.26 -4.94 120.51 120.90 1fhs n ALA 64 Ca 0.00 -2.26 0.00 0.00 0.00 0.00 0.00 53.44 51.18 1fhs n ALA 64 Cb 0.00 -0.79 0.00 0.00 0.00 0.00 0.00 19.45 18.66 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 -0.31 0.65 3.31 0.00 0.00 -0.82 -5.04 105.19 102.98 1fhs n GLY 65 Ca 0.01 -0.13 -0.20 0.00 0.00 0.00 0.00 46.02 45.70 1fhs n GLY 65 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1fhs s LYS 66 N -0.51 1.73 0.16 1.61 -0.14 -0.03 -4.74 119.74 117.82 1fhs s LYS 66 Ca 0.00 -2.01 -0.20 0.00 -1.36 0.00 0.00 55.97 52.40 1fhs s LYS 66 Cb 0.00 0.21 -0.08 0.00 -1.68 0.00 0.00 37.83 36.28 1fhs s LYS 66 CO 0.00 -0.61 0.67 0.71 -0.76 0.00 0.00 175.35 175.36 1fhs s TYR 67 N -3.47 3.74 -0.29 3.18 1.51 -1.14 -1.53 117.35 119.35 1fhs s TYR 67 Ca 0.39 1.37 -0.13 0.00 -1.01 0.00 0.00 57.07 57.69 1fhs s TYR 67 Cb 0.03 -2.59 0.11 0.00 -0.11 0.00 0.00 41.96 39.39 1fhs s TYR 67 CO 0.25 0.45 0.68 -0.59 -1.11 0.00 0.00 175.55 175.23 1fhs s PHE 68 N -1.32 -1.20 0.00 2.71 -0.71 0.20 -2.60 117.98 115.05 1fhs s PHE 68 Ca 0.37 2.22 0.00 0.00 -1.04 0.00 0.00 56.93 58.48 1fhs s PHE 68 Cb -0.19 0.72 0.00 0.00 -1.21 0.00 0.00 43.02 42.35 1fhs s PHE 68 CO 0.21 -0.60 0.30 1.28 -1.34 0.00 0.00 175.22 175.08 1fhs n LEU 69 N 4.90 0.16 -0.07 -1.99 4.77 -1.26 -2.63 117.00 120.88 1fhs n LEU 69 Ca -0.16 0.30 -0.10 0.00 -0.03 0.00 0.00 56.01 56.02 1fhs n LEU 69 Cb 0.54 0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.57 1fhs n LEU 69 CO -0.03 0.00 -0.93 0.79 -1.33 0.00 0.00 177.39 175.89 1fhs n TRP 70 N -0.33 0.00 0.00 -1.77 7.02 -1.26 -4.60 117.44 116.50 1fhs n TRP 70 Ca 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 57.50 56.48 1fhs n TRP 70 Cb 0.00 -0.49 0.00 0.00 -2.42 0.00 0.00 31.31 28.40 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 -3.08 0.00 -1.56 -0.99 0.31 -1.26 -5.09 118.33 106.66 1fhs n VAL 71 Ca -0.24 0.00 -0.50 0.00 -0.01 0.00 0.00 64.34 63.59 1fhs n VAL 71 Cb 0.73 -0.04 -0.04 0.00 -0.91 0.00 0.00 33.84 33.58 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 -0.73 0.84 -2.99 2.52 0.24 -1.26 -4.91 118.33 112.05 1fhs n VAL 72 Ca 0.00 -0.21 -0.22 0.00 -2.04 0.00 0.00 64.34 61.87 1fhs n VAL 72 Cb 0.00 -0.70 0.01 0.00 -1.47 0.00 0.00 33.84 31.68 1fhs n VAL 72 CO 0.00 0.00 0.00 -0.54 -2.14 0.00 0.00 176.83 174.15 1fhs s LYS 73 N -0.34 2.95 -0.28 7.34 1.02 -1.26 -4.28 119.74 124.88 1fhs s LYS 73 Ca 0.75 -0.66 -0.25 0.00 0.02 0.00 0.00 55.97 55.83 1fhs s LYS 73 Cb -0.90 -2.59 0.14 0.00 -0.52 0.00 0.00 37.83 33.95 1fhs s LYS 73 CO 0.53 -0.31 1.11 -0.59 -0.92 0.00 0.00 175.35 175.16 1fhs s PHE 74 N -2.53 -0.39 -0.72 3.18 -0.12 -1.07 -5.01 117.98 111.31 1fhs s PHE 74 Ca 0.50 0.96 0.24 0.00 -0.05 0.00 0.00 56.93 58.57 1fhs s PHE 74 Cb -0.10 0.39 0.22 0.00 -0.63 0.00 0.00 43.02 42.90 1fhs s PHE 74 CO 0.37 -0.19 1.19 0.09 -0.05 0.00 0.00 175.22 176.63 1fhs n ASN 75 N 2.07 0.63 -3.77 1.98 4.13 -1.26 -2.89 115.26 116.16 1fhs n ASN 75 Ca -0.12 -0.17 -0.15 0.00 1.68 0.00 0.00 54.58 55.83 1fhs n ASN 75 Cb 0.56 0.51 -0.16 0.00 -1.54 0.00 0.00 39.78 39.15 1fhs n ASN 75 CO 0.00 0.00 0.00 -0.55 0.28 0.00 0.00 177.26 176.99 1fhs s SER 76 N -3.76 0.05 0.33 6.41 0.15 -1.26 -4.94 113.70 110.68 1fhs s SER 76 Ca 0.06 0.08 0.12 0.00 0.70 0.00 0.00 55.95 56.91 1fhs s SER 76 Cb 0.15 -0.03 0.97 0.00 -1.71 0.00 0.00 66.02 65.40 1fhs s SER 76 CO 0.76 -0.13 1.71 -0.07 1.20 0.00 0.00 173.24 176.70 1fhs h LEU 77 N 7.30 0.61 -0.68 3.45 3.38 -1.99 1.20 115.31 128.58 1fhs h LEU 77 Ca -0.45 0.15 0.12 0.00 0.09 0.00 0.00 57.88 57.79 1fhs h LEU 77 Cb 1.12 0.07 -0.09 0.00 0.09 0.00 0.00 40.66 41.85 1fhs h LEU 77 CO 0.47 0.02 0.23 0.78 0.09 0.00 0.00 178.44 180.02 1fhs h ASN 78 N 0.48 0.17 -0.49 -0.43 4.21 -1.97 1.41 115.58 118.96 1fhs h ASN 78 Ca 0.68 0.10 0.08 0.00 1.21 0.00 0.00 56.30 58.38 1fhs h ASN 78 Cb 1.41 0.10 -0.03 0.00 -1.12 0.00 0.00 38.32 38.69 1fhs h ASN 78 CO -0.51 0.08 0.33 -0.08 -1.29 0.00 0.00 177.43 175.96 1fhs h GLU 79 N 0.38 0.30 0.00 0.81 4.57 0.10 0.85 114.58 121.59 1fhs h GLU 79 Ca 0.36 -0.02 0.00 0.00 -1.18 0.00 0.00 59.36 58.52 1fhs h GLU 79 Cb 0.53 -0.07 0.00 0.00 -0.16 0.00 0.00 28.75 29.05 1fhs h GLU 79 CO -0.39 0.20 0.00 -0.11 -1.18 0.00 0.00 179.01 177.53 1fhs n LEU 80 N -4.47 0.15 -0.44 1.64 0.00 0.41 0.11 117.00 114.39 1fhs n LEU 80 Ca 0.07 0.66 0.37 0.00 0.00 0.00 0.00 56.01 57.11 1fhs n LEU 80 Cb 0.33 -0.46 0.62 0.00 0.00 0.00 0.00 43.42 43.92 1fhs n LEU 80 CO 0.35 -0.46 1.13 0.52 0.00 0.00 0.00 177.39 178.92 1fhs n VAL 81 N -1.88 -0.21 0.10 1.96 0.31 0.29 0.15 118.33 119.06 1fhs n VAL 81 Ca 0.00 1.62 -0.23 0.00 -0.01 0.00 0.00 64.34 65.72 1fhs n VAL 81 Cb 0.00 -2.65 -0.15 0.00 -0.91 0.00 0.00 33.84 30.12 1fhs n VAL 81 CO 0.00 0.00 0.00 -0.78 -1.32 0.00 0.00 176.83 174.73 1fhs h ASP 82 N 0.00 0.67 -0.72 4.52 3.58 0.75 -3.24 116.42 121.99 1fhs h ASP 82 Ca 0.80 -0.93 0.03 0.00 0.42 0.00 0.00 57.03 57.35 1fhs h ASP 82 Cb 2.64 -0.22 -0.04 0.00 1.72 0.00 0.00 39.33 43.43 1fhs h ASP 82 CO -0.39 1.58 0.45 0.22 -2.88 0.00 0.00 179.24 178.22 1fhs h TYR 83 N -0.09 0.85 -0.47 0.28 3.20 0.87 0.20 116.97 121.81 1fhs h TYR 83 Ca -0.21 0.02 -0.32 0.00 3.14 0.00 0.00 58.73 61.36 1fhs h TYR 83 Cb 1.93 -0.28 -0.14 0.00 1.54 0.00 0.00 36.73 39.79 1fhs h TYR 83 CO 0.16 0.49 0.41 0.72 -1.64 0.00 0.00 178.16 178.30 1fhs n HIS 84 N -4.65 1.53 -0.08 -3.82 8.25 0.86 -3.80 115.22 113.51 1fhs n HIS 84 Ca 0.08 -1.90 -0.12 0.00 -0.26 0.00 0.00 57.72 55.52 1fhs n HIS 84 Cb 0.08 -0.92 -0.08 0.00 1.12 0.00 0.00 29.99 30.19 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 0.30 0.41 0.00 -0.41 0.63 0.06 -4.03 116.66 113.61 1fhs n ARG 85 Ca 0.30 0.10 -0.22 0.00 -0.92 0.00 0.00 57.85 57.11 1fhs n ARG 85 Cb 0.62 -1.32 -0.14 0.00 0.45 0.00 0.00 32.46 32.07 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 -0.04 0.39 -0.98 6.15 0.02 -1.67 -3.38 113.55 114.05 1fhs h SER 86 Ca -0.37 -0.92 -0.62 0.00 -0.84 0.00 0.00 61.79 59.04 1fhs h SER 86 Cb 1.56 -0.13 -0.36 0.00 0.14 0.00 0.00 62.40 63.61 1fhs h SER 86 CO -0.07 1.83 -0.04 0.41 -1.14 0.00 0.00 176.83 177.82 1fhs n THR 87 N -3.57 3.02 -0.79 -2.27 -1.04 -1.25 -5.05 114.28 103.32 1fhs n THR 87 Ca -0.32 -3.77 0.00 0.00 -2.04 0.00 0.00 64.05 57.93 1fhs n THR 87 Cb 1.02 -1.16 0.00 0.00 -1.82 0.00 0.00 70.33 68.36 1fhs n THR 87 CO 0.00 0.00 0.00 -1.20 -0.64 0.00 0.00 175.07 173.23 1fhs n SER 88 N -0.77 -0.17 -2.71 8.00 7.64 -1.21 -4.50 113.62 119.90 1fhs n SER 88 Ca 0.52 0.00 -0.04 0.00 1.01 0.00 0.00 58.87 60.36 1fhs n SER 88 Cb 0.78 0.00 0.10 0.00 -1.01 0.00 0.00 64.21 64.08 1fhs n SER 88 CO 0.00 0.00 0.00 0.55 -3.01 0.00 0.00 175.04 172.58 1fhs n VAL 89 N 0.00 0.34 0.00 0.44 3.14 -1.26 -4.31 118.33 116.68 1fhs n VAL 89 Ca 0.00 -1.75 0.00 0.00 -2.96 0.00 0.00 64.34 59.63 1fhs n VAL 89 Cb 0.00 1.01 0.00 0.00 -1.06 0.00 0.00 33.84 33.79 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 -0.90 0.00 0.08 6.55 2.88 -1.26 -5.00 113.62 115.97 1fhs n SER 90 Ca -0.05 0.00 -0.03 0.00 -1.33 0.00 0.00 58.87 57.45 1fhs n SER 90 Cb 0.85 0.00 0.19 0.00 -0.75 0.00 0.00 64.21 64.50 1fhs n SER 90 CO 0.00 0.00 0.00 0.03 -1.23 0.00 0.00 175.04 173.84 1fhs h ARG 91 N 0.00 0.27 -1.01 -1.46 3.08 -1.98 -3.08 114.38 110.20 1fhs h ARG 91 Ca 0.00 -0.14 0.41 0.00 0.07 0.00 0.00 59.98 60.32 1fhs h ARG 91 Cb 0.00 0.00 -0.17 0.00 0.08 0.00 0.00 29.97 29.88 1fhs h ARG 91 CO 0.00 0.68 0.55 -0.91 -1.07 0.00 0.00 179.97 179.22 1fhs h ASN 92 N 0.22 0.34 0.00 7.04 2.35 -2.04 -3.44 115.58 120.06 1fhs h ASN 92 Ca 0.02 0.25 0.00 0.00 -0.55 0.00 0.00 56.30 56.01 1fhs h ASN 92 Cb 0.89 0.25 0.00 0.00 0.05 0.00 0.00 38.32 39.51 1fhs h ASN 92 CO 0.07 -0.40 0.00 0.00 -1.65 0.00 0.00 177.43 175.46 1fhs n GLN 93 N -5.22 0.00 -4.03 0.81 10.64 -1.16 -5.14 117.38 113.28 1fhs n GLN 93 Ca 0.37 0.00 -0.34 0.00 -1.83 0.00 0.00 57.00 55.20 1fhs n GLN 93 Cb 1.26 0.00 -0.15 0.00 -0.86 0.00 0.00 30.24 30.49 1fhs n GLN 93 CO 0.00 0.00 0.00 1.14 -1.83 0.00 0.00 177.06 176.37 1fhs s GLN 94 N 2.39 3.18 0.14 2.61 -2.07 -1.26 -4.62 119.66 120.03 1fhs s GLN 94 Ca 0.00 -0.73 0.09 0.00 -1.82 0.00 0.00 55.36 52.90 1fhs s GLN 94 Cb 0.00 -2.78 -0.04 0.00 -1.09 0.00 0.00 33.01 29.10 1fhs s GLN 94 CO 0.00 -0.20 -0.16 0.42 -1.32 0.00 0.00 175.29 174.03 1fhs s ILE 95 N 1.36 2.92 -0.05 3.63 1.01 -1.26 -5.03 121.20 123.77 1fhs s ILE 95 Ca 0.05 -1.59 -0.04 0.00 0.00 0.00 0.00 60.65 59.07 1fhs s ILE 95 Cb -0.14 -2.38 0.02 0.00 0.01 0.00 0.00 42.46 39.97 1fhs s ILE 95 CO -0.08 0.02 0.14 0.12 0.00 0.00 0.00 174.94 175.14 1fhs s PHE 96 N -1.36 -0.15 -0.28 3.97 2.19 -1.26 -3.36 117.98 117.73 1fhs s PHE 96 Ca 0.20 0.38 -0.20 0.00 0.33 0.00 0.00 56.93 57.63 1fhs s PHE 96 Cb -0.10 0.03 -0.01 0.00 -1.31 0.00 0.00 43.02 41.63 1fhs s PHE 96 CO 0.12 -0.08 0.63 -0.51 1.83 0.00 0.00 175.22 177.21 1fhs s LEU 97 N 0.21 4.10 0.09 6.12 1.43 -1.26 -3.95 118.68 125.42 1fhs s LEU 97 Ca -0.01 0.56 0.07 0.00 -1.03 0.00 0.00 54.13 53.72 1fhs s LEU 97 Cb -0.02 -2.84 -0.03 0.00 0.03 0.00 0.00 46.19 43.33 1fhs s LEU 97 CO -0.01 -0.43 -0.19 -0.13 0.23 0.00 0.00 176.35 175.81 1fhs s ARG 98 N 2.57 1.09 -0.01 1.70 1.81 0.38 -5.02 118.95 121.47 1fhs s ARG 98 Ca 0.26 -1.09 -0.35 0.00 -1.72 0.00 0.00 55.73 52.83 1fhs s ARG 98 Cb -0.15 -1.29 -0.13 0.00 -0.45 0.00 0.00 34.95 32.93 1fhs s ARG 98 CO 0.10 0.30 1.73 -0.25 -0.68 0.00 0.00 175.30 176.50 1fhs n ASP 99 N 1.22 3.10 -1.11 0.23 9.92 -1.26 -2.90 116.55 125.75 1fhs n ASP 99 Ca -0.20 1.03 0.00 0.00 -0.53 0.00 0.00 54.79 55.09 1fhs n ASP 99 Cb 0.54 -1.36 0.00 0.00 -0.64 0.00 0.00 41.12 39.66 1fhs n ASP 99 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1fhs n ILE 100 N 4.32 0.69 -3.65 0.53 3.06 -1.25 -4.57 119.36 118.49 1fhs n ILE 100 Ca 0.21 -0.05 -0.10 0.00 -2.50 0.00 0.00 62.75 60.31 1fhs n ILE 100 Cb 0.27 -0.88 -0.11 0.00 0.54 0.00 0.00 39.64 39.47 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 0.46 0.26 0.12 9.51 0.41 -1.26 -4.96 118.70 123.24 1fhs s GLU 101 Ca 0.00 0.90 -0.30 0.00 -0.41 0.00 0.00 54.97 55.16 1fhs s GLU 101 Cb 0.00 0.15 -0.07 0.00 -1.78 0.00 0.00 34.13 32.44 1fhs s GLU 101 CO 0.00 -0.28 1.16 -1.14 -0.49 0.00 0.00 175.26 174.50 1fhs s GLN 102 N 2.54 4.50 0.33 1.61 -0.44 -1.26 -4.92 119.66 122.01 1fhs s GLN 102 Ca 0.00 1.75 -0.13 0.00 -2.50 0.00 0.00 55.36 54.48 1fhs s GLN 102 Cb -0.12 -3.31 -0.11 0.00 -1.64 0.00 0.00 33.01 27.83 1fhs s GLN 102 CO -0.11 -0.12 -0.04 0.28 0.50 0.00 0.00 175.29 175.80 1fhs n VAL 103 N 3.20 0.14 0.23 1.34 0.31 -1.26 -4.74 118.33 117.55 1fhs n VAL 103 Ca 0.06 -0.35 0.03 0.00 -0.01 0.00 0.00 64.34 64.07 1fhs n VAL 103 Cb 0.46 0.00 0.13 0.00 -0.91 0.00 0.00 33.84 33.52 1fhs n VAL 103 CO 0.00 0.00 0.00 -0.81 -1.32 0.00 0.00 176.83 174.70 1fhs n PRO 104 N 1.01 0.04 0.00 5.55 -0.04 -1.26 -4.94 135.00 135.36 1fhs n PRO 104 Ca 0.06 0.32 0.00 0.00 -0.04 0.00 0.00 63.50 63.84 1fhs n PRO 104 Cb 0.31 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.27 1fhs n PRO 104 CO 0.00 0.00 0.00 1.04 -0.04 0.00 0.00 175.50 176.50 1fhs n GLN 105 N -1.39 0.00 -3.93 0.54 6.02 -1.26 -3.19 117.38 114.17 1fhs n GLN 105 Ca 0.02 0.00 -0.30 0.00 -0.01 0.00 0.00 57.00 56.71 1fhs n GLN 105 Cb 0.05 0.00 -0.13 0.00 1.02 0.00 0.00 30.24 31.18 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 0.00 2.14 -0.17 -1.09 1.11 -1.26 0.33 119.66 120.71 1fhs s GLN 106 Ca 0.00 -2.85 -0.37 0.00 0.01 0.00 0.00 55.36 52.16 1fhs s GLN 106 Cb 0.00 -3.36 -0.13 0.00 -1.01 0.00 0.00 33.01 28.51 1fhs s GLN 106 CO 0.00 -1.16 1.83 -2.30 0.01 0.00 0.00 175.29 173.67 1fhs n PRO 107 N 2.77 1.75 -1.68 2.91 -0.02 -1.26 -4.58 135.00 134.89 1fhs n PRO 107 Ca 0.09 0.64 0.00 0.00 -2.02 0.00 0.00 63.50 62.22 1fhs n PRO 107 Cb 0.33 -2.42 0.00 0.00 -0.02 0.00 0.00 33.50 31.39 1fhs n PRO 107 CO 0.00 0.00 0.00 2.41 1.98 0.00 0.00 175.50 179.89 1fhs n THR 108 N 4.95 -4.65 -1.59 3.45 -1.04 -1.26 -4.99 114.28 109.15 1fhs n THR 108 Ca 0.24 2.18 0.00 0.00 -2.04 0.00 0.00 64.05 64.43 1fhs n THR 108 Cb 0.23 -3.17 0.00 0.00 -1.82 0.00 0.00 70.33 65.57 1fhs n THR 108 CO 0.00 0.00 0.00 -1.22 -0.64 0.00 0.00 175.07 173.21 1fhs n TYR 109 N -1.56 -3.80 -4.16 -1.42 4.01 -1.26 -4.96 117.16 104.01 1fhs n TYR 109 Ca 0.00 2.16 -0.34 0.00 -0.16 0.00 0.00 57.90 59.55 1fhs n TYR 109 Cb 0.19 -3.26 -0.14 0.00 -0.31 0.00 0.00 39.34 35.82 1fhs n TYR 109 CO 0.00 0.00 0.00 0.54 -0.46 0.00 0.00 176.86 176.94 1fhs s VAL 110 N -0.99 3.19 0.10 -0.72 0.11 -1.26 -4.90 120.40 115.93 1fhs s VAL 110 Ca 0.00 -0.57 0.00 0.00 -2.93 0.00 0.00 61.98 58.48 1fhs s VAL 110 Cb 0.00 -2.42 0.00 0.00 -1.53 0.00 0.00 36.38 32.43 1fhs s VAL 110 CO 0.00 0.46 0.00 1.67 -3.33 0.00 0.00 175.10 173.90 1fhs n GLN 111 N 4.40 -4.96 -0.37 1.54 0.00 -1.26 -5.27 117.38 111.47 1fhs n GLN 111 Ca -0.18 3.55 0.00 0.00 -0.00 0.00 0.00 57.00 60.36 1fhs n GLN 111 Cb 0.51 -4.22 0.00 0.00 0.00 0.00 0.00 30.24 26.53 1fhs n GLN 111 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06