#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 0.04 -1.71 -0.61 3.06 -1.26 -4.63 119.36 114.25 1fhs n ILE 2 Ca 0.00 -0.01 -0.60 0.00 -2.50 0.00 0.00 62.75 59.64 1fhs n ILE 2 Cb 0.00 -0.70 -0.08 0.00 0.54 0.00 0.00 39.64 39.40 1fhs n ILE 2 CO 0.00 0.00 0.00 -0.62 -2.50 0.00 0.00 176.55 173.43 1fhs n GLU 3 N 2.71 0.81 -1.47 9.51 1.02 -1.26 -4.72 120.64 127.24 1fhs n GLU 3 Ca 0.20 0.30 -0.49 0.00 -0.02 0.00 0.00 57.16 57.15 1fhs n GLU 3 Cb 0.15 -1.92 -0.04 0.00 -0.02 0.00 0.00 31.44 29.62 1fhs n GLU 3 CO 0.00 0.00 0.00 -0.12 1.18 0.00 0.00 177.13 178.19 1fhs n MET 4 N 4.67 0.39 -1.11 3.49 0.00 -1.26 -4.42 117.12 118.88 1fhs n MET 4 Ca 0.27 0.14 0.05 0.00 -0.00 0.00 0.00 57.70 58.16 1fhs n MET 4 Cb 0.08 -1.34 -0.03 0.00 0.00 0.00 0.00 33.22 31.94 1fhs n MET 4 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 175.97 176.33 1fhs n LYS 5 N 1.11 -1.84 0.00 2.12 2.85 -1.26 -4.87 118.16 116.26 1fhs n LYS 5 Ca 0.16 1.48 0.00 0.00 -1.05 0.00 0.00 58.31 58.90 1fhs n LYS 5 Cb 0.24 -2.25 0.00 0.00 -0.65 0.00 0.00 35.03 32.37 1fhs n LYS 5 CO 0.00 0.00 0.00 -2.30 -0.05 0.00 0.00 177.40 175.05 1fhs n PRO 6 N -3.17 0.00 0.00 -1.58 -0.02 -1.26 -5.02 135.00 123.95 1fhs n PRO 6 Ca -0.03 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.45 1fhs n PRO 6 Cb 0.31 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 33.79 1fhs n PRO 6 CO 0.00 0.00 0.00 0.72 1.98 0.00 0.00 175.50 178.20 1fhs n HIS 7 N 0.00 -0.98 0.00 6.00 8.25 -1.26 -4.95 115.22 122.29 1fhs n HIS 7 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.46 1fhs n HIS 7 Cb 0.00 0.34 0.00 0.00 1.12 0.00 0.00 29.99 31.45 1fhs n HIS 7 CO 0.00 0.00 0.00 -2.30 0.64 0.00 0.00 176.34 174.68 1fhs n PRO 8 N -2.18 0.00 -1.15 -0.41 -0.02 -1.26 -4.91 135.00 125.07 1fhs n PRO 8 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.48 1fhs n PRO 8 Cb 0.00 0.00 -0.01 0.00 -0.02 0.00 0.00 33.50 33.47 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 -3.61 6.00 4.27 -1.26 -5.03 117.44 117.81 1fhs n TRP 9 Ca 0.00 -0.38 -0.39 0.00 -3.89 0.00 0.00 57.50 52.84 1fhs n TRP 9 Cb 0.00 0.06 -0.11 0.00 -1.36 0.00 0.00 31.31 29.89 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 0.00 3.19 -0.43 -2.67 5.36 -1.26 -3.15 117.98 119.02 1fhs s PHE 10 Ca 0.18 -0.30 -0.10 0.00 -0.96 0.00 0.00 56.93 55.74 1fhs s PHE 10 Cb 0.20 -2.39 0.08 0.00 -0.34 0.00 0.00 43.02 40.58 1fhs s PHE 10 CO -0.09 -0.35 0.29 -0.06 -1.46 0.00 0.00 175.22 173.55 1fhs s PHE 11 N 1.68 3.33 0.00 10.12 0.40 -1.08 -4.99 117.98 127.44 1fhs s PHE 11 Ca 0.06 -1.48 0.00 0.00 -0.60 0.00 0.00 56.93 54.91 1fhs s PHE 11 Cb -0.17 -3.06 0.00 0.00 0.51 0.00 0.00 43.02 40.30 1fhs s PHE 11 CO 0.08 -0.86 0.00 0.41 0.70 0.00 0.00 175.22 175.55 1fhs n GLY 12 N 4.96 0.00 2.57 4.36 0.00 -1.26 -2.92 105.19 112.90 1fhs n GLY 12 Ca -0.10 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.62 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 3.29 -2.19 1.61 2.85 -1.26 0.86 118.16 123.33 1fhs n LYS 13 Ca 0.00 -4.31 -0.42 0.00 -1.05 0.00 0.00 58.31 52.53 1fhs n LYS 13 Cb 0.00 -2.25 -0.03 0.00 -0.65 0.00 0.00 35.03 32.10 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 -5.45 3.25 0.05 0.58 1.10 -1.22 -4.66 121.20 114.86 1fhs s ILE 14 Ca 0.49 0.96 -0.31 0.00 -0.51 0.00 0.00 60.65 61.28 1fhs s ILE 14 Cb 0.41 -3.61 -0.08 0.00 0.15 0.00 0.00 42.46 39.33 1fhs s ILE 14 CO -0.24 0.11 1.60 -2.16 -2.11 0.00 0.00 174.94 172.14 1fhs s PRO 15 N 0.54 4.22 0.22 3.50 0.04 -1.26 -4.70 135.00 137.54 1fhs s PRO 15 Ca 0.61 2.25 0.11 0.00 0.04 0.00 0.00 61.00 64.01 1fhs s PRO 15 Cb -0.37 -3.60 0.77 0.00 0.04 0.00 0.00 34.50 31.34 1fhs s PRO 15 CO 0.34 -0.70 0.94 -2.13 0.04 0.00 0.00 177.00 175.49 1fhs n ARG 16 N 5.56 -0.04 0.00 4.56 0.63 -1.26 0.68 116.66 126.79 1fhs n ARG 16 Ca 0.15 0.83 0.00 0.00 -0.92 0.00 0.00 57.85 57.91 1fhs n ARG 16 Cb 0.41 -1.47 0.00 0.00 0.45 0.00 0.00 32.46 31.85 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 -2.64 -0.14 -0.31 5.13 0.00 -1.26 -0.50 120.51 120.79 1fhs n ALA 17 Ca 0.22 0.00 0.31 0.00 0.00 0.00 0.00 53.44 53.96 1fhs n ALA 17 Cb 0.74 0.08 0.56 0.00 0.00 0.00 0.00 19.45 20.82 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 -1.20 -0.06 0.00 0.00 3.00 0.21 0.64 118.16 120.76 1fhs n LYS 18 Ca 0.00 1.30 0.00 0.00 -0.00 0.00 0.00 58.31 59.61 1fhs n LYS 18 Cb 0.00 -2.35 0.00 0.00 0.00 0.00 0.00 35.03 32.68 1fhs n LYS 18 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1fhs n ALA 19 N -2.31 -0.34 -0.32 3.14 0.00 0.13 -1.54 120.51 119.27 1fhs n ALA 19 Ca 0.36 0.00 0.23 0.00 0.00 0.00 0.00 53.44 54.03 1fhs n ALA 19 Cb 1.23 0.13 0.43 0.00 0.00 0.00 0.00 19.45 21.24 1fhs n ALA 19 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1fhs n GLU 20 N -2.15 -0.07 0.00 0.00 1.02 0.21 0.11 120.64 119.76 1fhs n GLU 20 Ca 0.00 1.39 0.00 0.00 -0.02 0.00 0.00 57.16 58.53 1fhs n GLU 20 Cb 0.00 -2.35 0.00 0.00 -0.02 0.00 0.00 31.44 29.07 1fhs n GLU 20 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 1fhs n GLU 21 N -5.31 0.00 -0.34 3.49 1.02 0.42 1.00 120.64 120.92 1fhs n GLU 21 Ca 0.30 0.00 0.24 0.00 -0.02 0.00 0.00 57.16 57.68 1fhs n GLU 21 Cb 1.00 -0.37 0.48 0.00 -0.02 0.00 0.00 31.44 32.53 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 0.32 -0.90 3.49 -0.00 -1.19 1.30 114.93 117.96 1fhs h MET 22 Ca 0.00 -0.02 0.01 0.00 -0.00 0.00 0.00 59.70 59.69 1fhs h MET 22 Cb 0.00 -0.07 -0.04 0.00 -0.00 0.00 0.00 31.60 31.48 1fhs h MET 22 CO 0.00 0.21 0.60 1.25 -0.00 0.00 0.00 176.91 178.97 1fhs h LEU 23 N 0.33 1.03 -0.73 -0.10 5.85 0.74 0.18 115.31 122.61 1fhs h LEU 23 Ca 0.73 -0.03 -0.11 0.00 0.84 0.00 0.00 57.88 59.31 1fhs h LEU 23 Cb 1.69 -0.26 -0.02 0.00 0.37 0.00 0.00 40.66 42.45 1fhs h LEU 23 CO -0.58 0.74 -0.19 0.77 -0.34 0.00 0.00 178.44 178.84 1fhs h SER 24 N 1.21 0.77 0.00 1.25 4.64 0.85 -2.58 113.55 119.69 1fhs h SER 24 Ca 0.33 -0.26 0.00 0.00 -0.47 0.00 0.00 61.79 61.39 1fhs h SER 24 Cb -0.13 -0.21 0.00 0.00 -0.31 0.00 0.00 62.40 61.75 1fhs h SER 24 CO -0.07 0.95 0.00 0.29 -0.87 0.00 0.00 176.83 177.13 1fhs n LYS 25 N -4.13 0.53 -4.25 4.77 5.02 0.11 -4.75 118.16 115.46 1fhs n LYS 25 Ca 0.00 0.00 -0.32 0.00 -2.02 0.00 0.00 58.31 55.97 1fhs n LYS 25 Cb 0.41 -1.23 -0.09 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 0.71 2.75 -0.00 1.97 -1.52 -0.97 -4.96 119.66 117.63 1fhs s GLN 26 Ca 0.00 -0.65 -0.00 0.00 -1.95 0.00 0.00 55.36 52.76 1fhs s GLN 26 Cb 0.00 -2.65 -0.00 0.00 -0.22 0.00 0.00 33.01 30.14 1fhs s GLN 26 CO 0.00 0.61 -0.00 0.54 -0.25 0.00 0.00 175.29 176.19 1fhs n ARG 27 N 1.24 0.01 -1.66 2.91 3.00 -1.26 -4.79 116.66 116.11 1fhs n ARG 27 Ca -0.14 0.23 -0.40 0.00 -0.01 0.00 0.00 57.85 57.53 1fhs n ARG 27 Cb 0.52 -0.74 -0.03 0.00 0.00 0.00 0.00 32.46 32.22 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 -1.03 1.23 -0.30 -1.55 3.76 -1.26 -4.81 115.29 111.33 1fhs s HIS 28 Ca -0.00 1.00 -0.41 0.00 -0.15 0.00 0.00 55.06 55.49 1fhs s HIS 28 Cb 0.00 -3.82 -0.17 0.00 1.11 0.00 0.00 32.58 29.71 1fhs s HIS 28 CO 0.01 -3.18 1.67 -0.25 -0.85 0.00 0.00 174.74 172.13 1fhs n ASP 29 N 13.40 2.01 0.00 1.40 9.92 -1.26 -2.09 116.55 139.93 1fhs n ASP 29 Ca 0.31 1.11 0.00 0.00 -0.53 0.00 0.00 54.79 55.68 1fhs n ASP 29 Cb 0.50 -1.08 0.00 0.00 -0.64 0.00 0.00 41.12 39.90 1fhs n ASP 29 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1fhs n GLY 30 N 3.97 1.35 3.52 0.44 0.00 -1.02 -4.52 105.19 108.93 1fhs n GLY 30 Ca 0.27 0.00 -0.56 0.00 0.00 0.00 0.00 46.02 45.73 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 0.32 -2.25 4.61 0.00 -0.89 -2.96 120.51 119.35 1fhs n ALA 31 Ca 0.00 0.18 -0.14 0.00 0.00 0.00 0.00 53.44 53.49 1fhs n ALA 31 Cb 0.00 -2.30 -0.10 0.00 0.00 0.00 0.00 19.45 17.05 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 5.46 1.24 -0.02 0.00 -0.71 -1.15 0.14 117.98 122.93 1fhs s PHE 32 Ca 1.08 -0.81 -0.17 0.00 -1.04 0.00 0.00 56.93 55.99 1fhs s PHE 32 Cb -1.11 -0.65 0.03 0.00 -1.21 0.00 0.00 43.02 40.08 1fhs s PHE 32 CO 0.61 0.03 0.35 -0.48 -1.34 0.00 0.00 175.22 174.38 1fhs s LEU 33 N -3.16 0.68 -0.39 -1.99 0.05 0.17 -4.70 118.68 109.35 1fhs s LEU 33 Ca 0.17 0.18 -0.07 0.00 0.05 0.00 0.00 54.13 54.45 1fhs s LEU 33 Cb 0.03 1.41 0.07 0.00 -2.05 0.00 0.00 46.19 45.65 1fhs s LEU 33 CO 0.01 -0.46 0.20 -0.63 -0.55 0.00 0.00 176.35 174.92 1fhs s ILE 34 N -1.27 3.96 -0.19 1.48 1.01 -1.19 -0.03 121.20 124.98 1fhs s ILE 34 Ca -0.13 -1.37 -0.15 0.00 0.00 0.00 0.00 60.65 59.00 1fhs s ILE 34 Cb -0.05 -3.39 -0.04 0.00 0.01 0.00 0.00 42.46 38.99 1fhs s ILE 34 CO 0.05 -0.41 0.36 0.00 0.00 0.00 0.00 174.94 174.95 1fhs s ARG 35 N 1.39 4.20 -0.07 2.79 1.70 -1.14 -2.64 118.95 125.18 1fhs s ARG 35 Ca 0.02 0.17 -0.30 0.00 -0.47 0.00 0.00 55.73 55.15 1fhs s ARG 35 Cb -0.22 -3.50 -0.05 0.00 -0.57 0.00 0.00 34.95 30.61 1fhs s ARG 35 CO 0.02 0.05 1.55 -2.00 -1.08 0.00 0.00 175.30 173.83 1fhs s GLU 36 N 1.04 4.20 -0.33 3.89 2.12 0.25 -3.78 118.70 126.09 1fhs s GLU 36 Ca 0.18 2.06 -0.42 0.00 0.36 0.00 0.00 54.97 57.15 1fhs s GLU 36 Cb -0.14 -3.90 -0.17 0.00 0.26 0.00 0.00 34.13 30.18 1fhs s GLU 36 CO 0.07 -0.79 1.70 0.45 -0.54 0.00 0.00 175.26 176.14 1fhs n SER 37 N 6.85 2.05 -0.34 -1.70 2.88 -0.59 -4.26 113.62 118.51 1fhs n SER 37 Ca 0.16 1.11 0.23 0.00 -1.33 0.00 0.00 58.87 59.04 1fhs n SER 37 Cb 0.43 -1.07 0.46 0.00 -0.75 0.00 0.00 64.21 63.28 1fhs n SER 37 CO 0.00 0.00 0.00 -0.08 -1.23 0.00 0.00 175.04 173.73 1fhs h GLU 38 N 6.56 0.35 0.00 -1.46 4.81 -1.87 -3.34 114.58 119.62 1fhs h GLU 38 Ca -0.46 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 58.75 1fhs h GLU 38 Cb 1.33 -0.08 0.00 0.00 0.63 0.00 0.00 28.75 30.63 1fhs h GLU 38 CO 0.96 0.23 0.00 0.43 -0.73 0.00 0.00 179.01 179.90 1fhs n SER 39 N -5.03 0.00 -4.65 1.04 7.64 -1.26 -4.90 113.62 106.46 1fhs n SER 39 Ca 0.31 0.00 -0.47 0.00 1.01 0.00 0.00 58.87 59.72 1fhs n SER 39 Cb 0.95 0.00 -0.04 0.00 -1.01 0.00 0.00 64.21 64.10 1fhs n SER 39 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1fhs n ALA 40 N -3.00 0.81 1.27 -0.43 0.00 -1.25 -4.84 120.51 113.07 1fhs n ALA 40 Ca 0.00 0.46 0.14 0.00 0.00 0.00 0.00 53.44 54.04 1fhs n ALA 40 Cb 0.00 -2.28 0.68 0.00 0.00 0.00 0.00 19.45 17.85 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 3.10 0.35 -1.96 0.00 -0.04 -1.26 -3.55 135.00 131.65 1fhs n PRO 41 Ca 0.17 0.03 -0.25 0.00 -0.04 0.00 0.00 63.50 63.40 1fhs n PRO 41 Cb 0.27 -1.50 0.03 0.00 -0.04 0.00 0.00 33.50 32.25 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 1.09 6.33 2.84 0.55 0.00 -1.26 -4.95 105.19 109.79 1fhs n GLY 42 Ca 0.12 -2.63 -0.24 0.00 0.00 0.00 0.00 46.02 43.27 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 -3.38 1.78 -0.08 1.61 1.11 -1.23 -4.92 116.67 111.56 1fhs s ASP 43 Ca 0.53 -0.18 0.03 0.00 0.18 0.00 0.00 52.55 53.11 1fhs s ASP 43 Cb 0.42 -0.60 0.01 0.00 1.07 0.00 0.00 42.92 43.82 1fhs s ASP 43 CO 0.02 -0.15 -0.17 -0.36 1.18 0.00 0.00 175.17 175.70 1fhs s PHE 44 N 1.78 1.84 -0.05 4.23 0.08 -1.26 -1.54 117.98 123.06 1fhs s PHE 44 Ca 0.04 -0.70 0.03 0.00 0.12 0.00 0.00 56.93 56.41 1fhs s PHE 44 Cb -0.13 -1.29 0.00 0.00 -0.57 0.00 0.00 43.02 41.04 1fhs s PHE 44 CO -0.06 -0.32 -0.14 -1.54 -0.10 0.00 0.00 175.22 173.06 1fhs s SER 45 N 0.51 1.91 -0.34 1.36 1.04 -1.25 0.14 113.70 117.07 1fhs s SER 45 Ca -0.15 -0.32 -0.17 0.00 0.48 0.00 0.00 55.95 55.79 1fhs s SER 45 Cb -0.16 -0.69 -0.01 0.00 0.10 0.00 0.00 66.02 65.26 1fhs s SER 45 CO 0.05 0.09 0.46 -0.22 0.98 0.00 0.00 173.24 174.61 1fhs s LEU 46 N 0.33 4.37 -0.18 2.42 0.20 0.14 -2.89 118.68 123.07 1fhs s LEU 46 Ca -0.09 -0.07 -0.08 0.00 0.69 0.00 0.00 54.13 54.58 1fhs s LEU 46 Cb -0.13 -2.50 -0.04 0.00 -0.43 0.00 0.00 46.19 43.08 1fhs s LEU 46 CO 0.03 -0.42 0.08 -0.94 -0.29 0.00 0.00 176.35 174.81 1fhs s SER 47 N 1.74 5.82 0.09 3.68 1.04 0.96 -0.69 113.70 126.35 1fhs s SER 47 Ca 0.16 0.15 0.08 0.00 0.48 0.00 0.00 55.95 56.82 1fhs s SER 47 Cb -0.16 -1.99 -0.03 0.00 0.10 0.00 0.00 66.02 63.94 1fhs s SER 47 CO 0.13 0.20 -0.20 -0.69 0.98 0.00 0.00 173.24 173.65 1fhs s VAL 48 N 0.23 1.63 -0.67 5.02 1.01 -0.59 0.46 120.40 127.49 1fhs s VAL 48 Ca 0.05 -1.47 -0.26 0.00 0.00 0.00 0.00 61.98 60.30 1fhs s VAL 48 Cb -0.12 -1.48 0.04 0.00 0.00 0.00 0.00 36.38 34.82 1fhs s VAL 48 CO -0.00 -0.05 1.16 -0.75 0.00 0.00 0.00 175.10 175.46 1fhs s LYS 49 N -1.80 3.26 0.01 2.72 2.47 0.37 0.71 119.74 127.48 1fhs s LYS 49 Ca 0.05 -0.26 0.03 0.00 -1.56 0.00 0.00 55.97 54.24 1fhs s LYS 49 Cb -0.10 -4.14 -0.03 0.00 -1.46 0.00 0.00 37.83 32.10 1fhs s LYS 49 CO 0.04 -1.91 -0.05 0.12 0.16 0.00 0.00 175.35 173.71 1fhs s PHE 50 N 5.05 2.94 0.16 4.03 5.36 -0.78 -2.42 117.98 132.32 1fhs s PHE 50 Ca 0.34 -0.01 -0.32 0.00 -0.96 0.00 0.00 56.93 55.97 1fhs s PHE 50 Cb -0.10 -1.62 -0.16 0.00 -0.34 0.00 0.00 43.02 40.80 1fhs s PHE 50 CO 0.17 0.40 0.99 0.41 -1.46 0.00 0.00 175.22 175.73 1fhs n GLY 51 N 1.45 -0.42 4.16 13.12 0.00 -1.26 -0.04 105.19 122.20 1fhs n GLY 51 Ca -0.15 0.50 0.00 0.00 0.00 0.00 0.00 46.02 46.38 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 1.84 0.00 -3.56 1.61 5.15 -1.26 -4.84 115.26 114.21 1fhs n ASN 52 Ca 0.16 0.00 -0.15 0.00 -0.60 0.00 0.00 54.58 53.99 1fhs n ASN 52 Cb 0.23 0.00 -0.05 0.00 -0.53 0.00 0.00 39.78 39.42 1fhs n ASN 52 CO 0.00 0.00 0.00 -1.81 1.40 0.00 0.00 177.26 176.85 1fhs s ASP 53 N 0.00 -0.50 0.01 1.20 1.01 0.94 -5.12 116.67 114.21 1fhs s ASP 53 Ca 0.00 0.33 -0.30 0.00 0.71 0.00 0.00 52.55 53.28 1fhs s ASP 53 Cb 0.00 0.50 -0.06 0.00 1.01 0.00 0.00 42.92 44.38 1fhs s ASP 53 CO 0.00 -0.69 1.43 -0.69 0.21 0.00 0.00 175.17 175.43 1fhs s VAL 54 N -2.08 3.62 0.50 -1.27 1.01 -1.26 -1.87 120.40 119.06 1fhs s VAL 54 Ca -0.07 1.02 -0.03 0.00 0.00 0.00 0.00 61.98 62.90 1fhs s VAL 54 Cb -0.01 -3.65 -0.00 0.00 0.00 0.00 0.00 36.38 32.71 1fhs s VAL 54 CO 0.01 -0.00 0.77 -1.58 0.00 0.00 0.00 175.10 174.30 1fhs s GLN 55 N 2.40 3.07 -0.03 2.72 0.74 0.22 -4.85 119.66 123.94 1fhs s GLN 55 Ca 0.65 -0.23 -0.01 0.00 0.05 0.00 0.00 55.36 55.82 1fhs s GLN 55 Cb -0.32 -2.43 0.03 0.00 1.10 0.00 0.00 33.01 31.38 1fhs s GLN 55 CO 0.27 -0.41 0.06 -1.58 -0.55 0.00 0.00 175.29 173.08 1fhs s HIS 56 N -2.73 -0.02 -0.26 1.67 5.65 -1.26 -1.54 115.29 116.80 1fhs s HIS 56 Ca 0.50 0.22 -0.04 0.00 0.25 0.00 0.00 55.06 56.00 1fhs s HIS 56 Cb -0.10 -0.21 0.09 0.00 -1.18 0.00 0.00 32.58 31.17 1fhs s HIS 56 CO 0.41 -0.11 0.11 -0.06 -0.65 0.00 0.00 174.74 174.44 1fhs s PHE 57 N 1.15 0.56 -0.14 3.88 0.08 0.14 -5.01 117.98 118.64 1fhs s PHE 57 Ca -0.08 -0.88 -0.29 0.00 0.12 0.00 0.00 56.93 55.79 1fhs s PHE 57 Cb -0.13 -0.98 -0.02 0.00 -0.57 0.00 0.00 43.02 41.32 1fhs s PHE 57 CO -0.04 -0.75 1.30 0.15 -0.10 0.00 0.00 175.22 175.78 1fhs s LYS 58 N 2.02 4.24 -1.04 0.44 1.02 -1.26 0.26 119.74 125.41 1fhs s LYS 58 Ca 0.07 1.72 -0.23 0.00 0.02 0.00 0.00 55.97 57.55 1fhs s LYS 58 Cb -0.16 -3.76 0.00 0.00 -0.52 0.00 0.00 37.83 33.39 1fhs s LYS 58 CO -0.26 -0.69 1.72 0.08 -0.92 0.00 0.00 175.35 175.27 1fhs s VAL 59 N 3.40 3.75 0.58 3.17 1.01 0.12 -4.69 120.40 127.73 1fhs s VAL 59 Ca 0.57 -0.82 -0.12 0.00 0.00 0.00 0.00 61.98 61.61 1fhs s VAL 59 Cb -0.23 -4.67 -0.05 0.00 0.00 0.00 0.00 36.38 31.43 1fhs s VAL 59 CO 0.17 -1.50 1.00 -0.76 0.00 0.00 0.00 175.10 174.00 1fhs s LEU 60 N 7.32 3.38 0.13 3.92 1.43 -1.11 -4.09 118.68 129.66 1fhs s LEU 60 Ca 0.58 1.44 0.05 0.00 -1.03 0.00 0.00 54.13 55.16 1fhs s LEU 60 Cb -0.02 -4.45 -0.04 0.00 0.03 0.00 0.00 46.19 41.72 1fhs s LEU 60 CO -0.01 -0.76 -0.11 -0.60 0.23 0.00 0.00 176.35 175.09 1fhs s ARG 61 N -4.79 1.01 0.03 1.70 3.00 -1.25 -0.65 118.95 117.99 1fhs s ARG 61 Ca 0.56 -1.32 -0.19 0.00 -1.00 0.00 0.00 55.73 53.78 1fhs s ARG 61 Cb -0.11 -0.71 0.04 0.00 0.00 0.00 0.00 34.95 34.17 1fhs s ARG 61 CO 0.46 0.11 0.42 0.34 0.00 0.00 0.00 175.30 176.64 1fhs s ASP 62 N -2.78 -0.31 0.31 -2.12 2.15 -0.97 -4.86 116.67 108.10 1fhs s ASP 62 Ca 0.12 0.07 0.08 0.00 0.43 0.00 0.00 52.55 53.25 1fhs s ASP 62 Cb -0.01 0.42 0.84 0.00 -0.30 0.00 0.00 42.92 43.87 1fhs s ASP 62 CO 0.01 -0.63 1.72 1.23 -0.17 0.00 0.00 175.17 177.34 1fhs h GLY 63 N 3.12 1.82 0.00 2.66 0.00 -2.02 -0.60 103.07 108.05 1fhs h GLY 63 Ca -0.31 -0.28 -0.08 0.00 0.00 0.00 0.00 47.33 46.66 1fhs h GLY 63 CO 0.43 -0.24 -1.29 0.00 0.00 0.00 0.00 176.54 175.44 1fhs n ALA 64 N -2.35 2.06 0.14 3.60 0.00 -1.26 -4.60 120.51 118.10 1fhs n ALA 64 Ca 0.26 -0.22 0.19 0.00 0.00 0.00 0.00 53.44 53.67 1fhs n ALA 64 Cb 0.71 0.39 0.76 0.00 0.00 0.00 0.00 19.45 21.32 1fhs n ALA 64 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 1fhs h GLY 65 N 0.26 0.00 0.00 0.00 0.00 -1.94 -3.47 103.07 97.92 1fhs h GLY 65 Ca -0.12 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.21 1fhs h GLY 65 CO -0.03 0.00 0.00 0.28 0.00 0.00 0.00 176.54 176.79 1fhs n LYS 66 N -3.61 0.00 -2.52 4.80 4.76 -0.23 -4.39 118.16 116.97 1fhs n LYS 66 Ca 0.05 0.00 -0.42 0.00 -2.87 0.00 0.00 58.31 55.07 1fhs n LYS 66 Cb 0.56 0.00 -0.03 0.00 -1.84 0.00 0.00 35.03 33.72 1fhs n LYS 66 CO 0.00 0.00 0.00 0.71 -1.37 0.00 0.00 177.40 176.74 1fhs s TYR 67 N 0.00 3.27 -0.13 2.13 2.02 -0.89 -2.30 117.35 121.45 1fhs s TYR 67 Ca 0.00 1.32 -0.28 0.00 -0.37 0.00 0.00 57.07 57.74 1fhs s TYR 67 Cb 0.00 -3.36 0.07 0.00 -0.40 0.00 0.00 41.96 38.27 1fhs s TYR 67 CO 0.00 -1.02 0.67 -0.59 -1.57 0.00 0.00 175.55 173.04 1fhs s PHE 68 N 2.17 -0.68 -0.02 2.71 -0.71 0.17 -2.22 117.98 119.41 1fhs s PHE 68 Ca 0.54 1.40 -0.03 0.00 -1.04 0.00 0.00 56.93 57.79 1fhs s PHE 68 Cb -0.23 0.34 -0.02 0.00 -1.21 0.00 0.00 43.02 41.90 1fhs s PHE 68 CO 0.21 -0.50 0.35 -0.07 -1.34 0.00 0.00 175.22 173.86 1fhs h LEU 69 N 3.87 -0.11 0.00 -1.99 -0.00 -1.84 -2.94 115.31 112.31 1fhs h LEU 69 Ca -0.28 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.61 1fhs h LEU 69 Cb 1.15 0.03 0.00 0.00 -0.00 0.00 0.00 40.66 41.84 1fhs h LEU 69 CO 0.26 0.03 -0.19 0.79 -0.00 0.00 0.00 178.44 179.33 1fhs n TRP 70 N -2.94 0.00 0.00 1.13 8.01 -1.26 -4.80 117.44 117.58 1fhs n TRP 70 Ca -0.02 0.00 0.00 0.00 -1.31 0.00 0.00 57.50 56.17 1fhs n TRP 70 Cb 0.05 0.18 0.00 0.00 -2.01 0.00 0.00 31.31 29.53 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 -2.10 0.00 -1.58 -0.99 0.31 -1.26 -5.06 118.33 107.65 1fhs n VAL 71 Ca 0.00 0.00 -0.49 0.00 -0.01 0.00 0.00 64.34 63.84 1fhs n VAL 71 Cb 0.10 -0.33 -0.04 0.00 -0.91 0.00 0.00 33.84 32.66 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 -0.92 0.87 -3.98 2.52 0.24 -1.26 -4.92 118.33 110.88 1fhs n VAL 72 Ca 0.00 -0.22 -0.26 0.00 -2.04 0.00 0.00 64.34 61.82 1fhs n VAL 72 Cb 0.00 -0.87 -0.04 0.00 -1.47 0.00 0.00 33.84 31.46 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 -0.36 3.30 -0.29 7.34 1.02 -1.26 -4.27 119.74 125.22 1fhs s LYS 73 Ca 0.73 -0.67 -0.24 0.00 0.02 0.00 0.00 55.97 55.81 1fhs s LYS 73 Cb -0.84 -2.88 0.14 0.00 -0.52 0.00 0.00 37.83 33.72 1fhs s LYS 73 CO 0.52 0.51 1.10 -0.59 -0.92 0.00 0.00 175.35 175.96 1fhs s PHE 74 N -1.75 -0.41 -0.35 3.18 -0.12 -0.94 -5.02 117.98 112.56 1fhs s PHE 74 Ca 0.34 0.97 0.09 0.00 -0.05 0.00 0.00 56.93 58.28 1fhs s PHE 74 Cb -0.11 0.38 0.70 0.00 -0.63 0.00 0.00 43.02 43.35 1fhs s PHE 74 CO 0.27 -0.20 1.73 0.27 -0.05 0.00 0.00 175.22 177.24 1fhs n ASN 75 N 2.31 4.67 -3.75 1.98 0.23 -1.26 -2.10 115.26 117.33 1fhs n ASN 75 Ca -0.13 -3.11 -0.13 0.00 -0.53 0.00 0.00 54.58 50.68 1fhs n ASN 75 Cb 0.56 -0.73 -0.13 0.00 -2.08 0.00 0.00 39.78 37.40 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 -0.87 -0.18 0.20 0.53 0.15 -1.26 -4.96 113.70 107.31 1fhs s SER 76 Ca 0.51 0.40 -0.10 0.00 0.70 0.00 0.00 55.95 57.45 1fhs s SER 76 Cb 0.40 0.31 0.21 0.00 -1.71 0.00 0.00 66.02 65.23 1fhs s SER 76 CO 0.13 -0.14 1.80 -0.07 1.20 0.00 0.00 173.24 176.16 1fhs h LEU 77 N 6.93 0.49 -0.68 3.45 3.38 -1.98 0.22 115.31 127.13 1fhs h LEU 77 Ca -0.38 0.03 0.13 0.00 0.09 0.00 0.00 57.88 57.74 1fhs h LEU 77 Cb 1.16 -0.07 -0.09 0.00 0.09 0.00 0.00 40.66 41.75 1fhs h LEU 77 CO 0.40 0.32 0.21 0.78 0.09 0.00 0.00 178.44 180.24 1fhs h ASN 78 N 0.63 0.13 -0.85 -0.43 2.35 -1.98 0.60 115.58 116.01 1fhs h ASN 78 Ca 0.28 0.11 0.04 0.00 -0.55 0.00 0.00 56.30 56.18 1fhs h ASN 78 Cb 0.17 0.13 -0.05 0.00 0.05 0.00 0.00 38.32 38.62 1fhs h ASN 78 CO -0.18 0.05 0.56 -0.08 -1.65 0.00 0.00 177.43 176.13 1fhs h GLU 79 N 0.34 1.02 -0.37 0.81 4.57 -1.37 0.61 114.58 120.19 1fhs h GLU 79 Ca 0.37 -0.06 0.00 0.00 -1.18 0.00 0.00 59.36 58.49 1fhs h GLU 79 Cb 0.56 -0.23 -0.02 0.00 -0.16 0.00 0.00 28.75 28.90 1fhs h GLU 79 CO -0.41 0.67 0.24 1.25 -1.18 0.00 0.00 179.01 179.58 1fhs h LEU 80 N 1.05 0.43 -1.01 1.64 6.46 0.30 -2.35 115.31 121.82 1fhs h LEU 80 Ca 0.34 -0.02 -0.07 0.00 -0.12 0.00 0.00 57.88 58.01 1fhs h LEU 80 Cb 0.05 -0.11 -0.02 0.00 -0.73 0.00 0.00 40.66 39.85 1fhs h LEU 80 CO -0.10 0.32 -0.08 0.58 -0.62 0.00 0.00 178.44 178.54 1fhs h VAL 81 N 0.50 1.24 -0.73 1.05 2.07 0.12 -2.45 116.25 118.05 1fhs h VAL 81 Ca 0.14 -1.02 0.03 0.00 0.82 0.00 0.00 66.70 66.67 1fhs h VAL 81 Cb -0.05 1.04 -0.04 0.00 -1.52 0.00 0.00 31.29 30.72 1fhs h VAL 81 CO -0.03 0.34 0.46 -0.78 0.02 0.00 0.00 177.57 177.58 1fhs h ASP 82 N 0.57 0.75 -0.52 0.57 3.58 0.66 -1.03 116.42 121.00 1fhs h ASP 82 Ca 0.11 -0.00 -0.05 0.00 0.42 0.00 0.00 57.03 57.51 1fhs h ASP 82 Cb 0.48 -0.17 -0.02 0.00 1.72 0.00 0.00 39.33 41.35 1fhs h ASP 82 CO 0.03 0.52 0.13 1.88 -2.88 0.00 0.00 179.24 178.92 1fhs h TYR 83 N 0.90 0.87 -0.00 0.28 0.05 -1.20 -1.39 116.97 116.48 1fhs h TYR 83 Ca 0.29 -0.10 -0.00 0.00 0.05 0.00 0.00 58.73 58.97 1fhs h TYR 83 Cb 0.01 -0.25 -0.00 0.00 1.01 0.00 0.00 36.73 37.50 1fhs h TYR 83 CO -0.04 0.77 0.00 0.72 -1.05 0.00 0.00 178.16 178.56 1fhs n HIS 84 N -4.44 0.00 -0.04 4.88 8.25 -0.48 -3.01 115.22 120.39 1fhs n HIS 84 Ca 0.02 -0.52 -0.06 0.00 -0.26 0.00 0.00 57.72 56.90 1fhs n HIS 84 Cb 0.22 -0.26 -0.04 0.00 1.12 0.00 0.00 29.99 31.03 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 0.53 0.60 -0.12 -0.41 0.63 -0.52 -3.98 116.66 113.37 1fhs n ARG 85 Ca 0.00 0.04 -0.18 0.00 -0.92 0.00 0.00 57.85 56.80 1fhs n ARG 85 Cb 0.50 -1.18 -0.12 0.00 0.45 0.00 0.00 32.46 32.11 1fhs n ARG 85 CO 0.00 0.00 0.00 -1.13 -2.51 0.00 0.00 177.63 173.99 1fhs n SER 86 N -2.70 1.95 -2.19 6.15 3.41 -1.22 -4.45 113.62 114.58 1fhs n SER 86 Ca -0.16 -0.12 -0.30 0.00 -0.26 0.00 0.00 58.87 58.03 1fhs n SER 86 Cb 0.68 -0.40 0.07 0.00 -0.26 0.00 0.00 64.21 64.30 1fhs n SER 86 CO 0.00 0.00 0.00 1.07 -0.16 0.00 0.00 175.04 175.95 1fhs n THR 87 N -3.26 3.26 -1.23 6.66 5.66 -1.16 -5.05 114.28 119.15 1fhs n THR 87 Ca -0.45 -3.24 0.00 0.00 -3.05 0.00 0.00 64.05 57.31 1fhs n THR 87 Cb 1.00 -1.09 0.00 0.00 -1.55 0.00 0.00 70.33 68.69 1fhs n THR 87 CO 0.00 0.00 0.00 -0.24 -3.05 0.00 0.00 175.07 171.78 1fhs n SER 88 N -0.88 -1.43 -0.01 1.09 2.88 -1.25 -4.68 113.62 109.33 1fhs n SER 88 Ca 0.56 0.00 -0.02 0.00 -1.33 0.00 0.00 58.87 58.08 1fhs n SER 88 Cb 0.81 0.00 -0.01 0.00 -0.75 0.00 0.00 64.21 64.26 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 -0.46 0.16 -0.02 2.46 3.14 -1.26 -4.19 118.33 118.16 1fhs n VAL 89 Ca 0.00 -0.06 0.01 0.00 -2.96 0.00 0.00 64.34 61.33 1fhs n VAL 89 Cb 0.00 -0.60 -0.09 0.00 -1.06 0.00 0.00 33.84 32.09 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 -2.58 2.34 0.00 6.55 2.88 -1.26 -4.99 113.62 116.57 1fhs n SER 90 Ca -0.05 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.49 1fhs n SER 90 Cb 0.55 1.23 0.00 0.00 -0.75 0.00 0.00 64.21 65.24 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 -2.10 0.00 -0.00 -1.46 1.74 -1.26 -4.83 116.66 108.74 1fhs n ARG 91 Ca -0.08 0.00 -0.03 0.00 -0.77 0.00 0.00 57.85 56.97 1fhs n ARG 91 Cb 0.52 -3.44 -0.02 0.00 -1.02 0.00 0.00 32.46 28.50 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 -0.31 -0.75 0.55 -0.26 -1.99 -3.25 115.58 109.57 1fhs h ASN 92 Ca 0.00 0.04 -0.50 0.00 -0.56 0.00 0.00 56.30 55.28 1fhs h ASN 92 Cb 0.00 0.12 -0.42 0.00 -1.06 0.00 0.00 38.32 36.96 1fhs h ASN 92 CO 0.00 -0.08 -0.87 0.00 -1.06 0.00 0.00 177.43 175.42 1fhs n GLN 93 N -3.09 3.27 -2.28 0.81 6.02 -1.26 -5.04 117.38 115.81 1fhs n GLN 93 Ca -0.01 -4.07 0.00 0.00 -0.01 0.00 0.00 57.00 52.91 1fhs n GLN 93 Cb 0.07 -2.16 0.00 0.00 1.02 0.00 0.00 30.24 29.17 1fhs n GLN 93 CO 0.00 0.00 0.00 0.94 -1.01 0.00 0.00 177.06 176.99 1fhs n GLN 94 N -0.67 -4.65 -5.04 -1.09 7.27 -1.23 -4.98 117.38 106.99 1fhs n GLN 94 Ca 0.37 3.35 -0.32 0.00 0.07 0.00 0.00 57.00 60.48 1fhs n GLN 94 Cb 0.92 -4.18 -0.15 0.00 2.41 0.00 0.00 30.24 29.24 1fhs n GLN 94 CO 0.00 0.00 0.00 0.42 0.07 0.00 0.00 177.06 177.55 1fhs s ILE 95 N -0.52 2.64 -0.07 1.69 1.01 -1.26 -4.96 121.20 119.73 1fhs s ILE 95 Ca 0.00 -0.86 0.05 0.00 0.00 0.00 0.00 60.65 59.83 1fhs s ILE 95 Cb 0.00 -2.01 -0.00 0.00 0.01 0.00 0.00 42.46 40.45 1fhs s ILE 95 CO 0.00 0.57 -0.23 -0.36 0.00 0.00 0.00 174.94 174.93 1fhs s PHE 96 N -0.41 2.30 -0.53 3.97 0.08 -1.26 -3.91 117.98 118.22 1fhs s PHE 96 Ca 0.04 -0.78 -0.22 0.00 0.12 0.00 0.00 56.93 56.10 1fhs s PHE 96 Cb -0.12 -1.53 0.05 0.00 -0.57 0.00 0.00 43.02 40.85 1fhs s PHE 96 CO 0.02 -0.27 0.79 -0.51 -0.10 0.00 0.00 175.22 175.15 1fhs s LEU 97 N 0.07 4.49 0.00 -0.37 1.43 -1.26 -4.18 118.68 118.86 1fhs s LEU 97 Ca -0.09 -0.59 0.00 0.00 -1.03 0.00 0.00 54.13 52.42 1fhs s LEU 97 Cb -0.15 -2.66 0.00 0.00 0.03 0.00 0.00 46.19 43.41 1fhs s LEU 97 CO 0.05 -1.06 0.00 -1.14 0.23 0.00 0.00 176.35 174.43 1fhs n ARG 98 N 6.85 0.00 0.00 1.70 0.00 -1.16 -5.02 116.66 119.04 1fhs n ARG 98 Ca -0.02 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.83 1fhs n ARG 98 Cb 0.47 0.00 0.00 0.00 0.00 0.00 0.00 32.46 32.93 1fhs n ARG 98 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.63 177.38 1fhs n ASP 99 N 0.00 0.00 -1.04 6.15 8.00 -1.26 -2.66 116.55 125.74 1fhs n ASP 99 Ca 0.00 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.50 1fhs n ASP 99 Cb 0.00 -0.07 0.00 0.00 -0.02 0.00 0.00 41.12 41.03 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 -0.38 0.79 -3.43 0.53 3.06 -1.26 -4.42 119.36 114.24 1fhs n ILE 100 Ca 0.00 -0.02 -0.11 0.00 -2.50 0.00 0.00 62.75 60.12 1fhs n ILE 100 Cb 0.00 -0.90 -0.09 0.00 0.54 0.00 0.00 39.64 39.18 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 0.26 0.30 -0.31 9.51 2.12 -1.26 -4.94 118.70 124.38 1fhs s GLU 101 Ca 0.00 0.56 0.19 0.00 0.36 0.00 0.00 54.97 56.08 1fhs s GLU 101 Cb 0.00 -0.47 0.47 0.00 0.26 0.00 0.00 34.13 34.39 1fhs s GLU 101 CO 0.00 -0.57 0.99 0.94 -0.54 0.00 0.00 175.26 176.08 1fhs n GLN 102 N 5.36 1.28 0.15 4.30 7.27 -1.26 -4.90 117.38 129.58 1fhs n GLN 102 Ca -0.05 -3.30 0.00 0.00 0.07 0.00 0.00 57.00 53.72 1fhs n GLN 102 Cb 0.50 -1.32 0.00 0.00 2.41 0.00 0.00 30.24 31.83 1fhs n GLN 102 CO 0.00 0.00 0.00 1.55 0.07 0.00 0.00 177.06 178.68 1fhs n VAL 103 N -0.19 0.00 -1.61 1.69 3.14 -1.26 -5.06 118.33 115.03 1fhs n VAL 103 Ca 0.08 0.00 -0.50 0.00 -2.96 0.00 0.00 64.34 60.97 1fhs n VAL 103 Cb 0.82 -0.26 -0.05 0.00 -1.06 0.00 0.00 33.84 33.29 1fhs n VAL 103 CO 0.00 0.00 0.00 -2.65 -6.46 0.00 0.00 176.83 167.72 1fhs n PRO 104 N -3.30 1.43 -0.57 1.45 -0.02 -1.26 -2.40 135.00 130.33 1fhs n PRO 104 Ca 0.00 0.51 0.00 0.00 -2.02 0.00 0.00 63.50 61.99 1fhs n PRO 104 Cb 0.00 -2.15 0.00 0.00 -0.02 0.00 0.00 33.50 31.33 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 2.49 0.00 -2.70 -0.52 1.13 -1.26 -4.95 117.38 111.57 1fhs n GLN 105 Ca 0.17 0.08 -0.05 0.00 -1.94 0.00 0.00 57.00 55.26 1fhs n GLN 105 Cb 0.23 -1.87 0.05 0.00 0.11 0.00 0.00 30.24 28.76 1fhs n GLN 105 CO 0.00 0.00 0.00 0.94 -1.44 0.00 0.00 177.06 176.56 1fhs n GLN 106 N -2.57 0.34 -2.70 -1.09 0.00 -1.01 -5.13 117.38 105.22 1fhs n GLN 106 Ca 0.00 -1.18 -0.43 0.00 -0.00 0.00 0.00 57.00 55.39 1fhs n GLN 106 Cb 0.00 -0.62 -0.03 0.00 0.00 0.00 0.00 30.24 29.59 1fhs n GLN 106 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.06 175.81 1fhs s PRO 107 N 0.61 4.11 0.05 3.69 0.04 -1.26 -4.71 135.00 137.53 1fhs s PRO 107 Ca 0.27 1.07 0.00 0.00 0.04 0.00 0.00 61.00 62.39 1fhs s PRO 107 Cb 0.16 -3.70 0.00 0.00 0.04 0.00 0.00 34.50 30.99 1fhs s PRO 107 CO -0.12 -0.77 0.00 -2.37 0.04 0.00 0.00 177.00 173.78 1fhs n THR 108 N 5.63 -4.04 -1.95 1.26 5.66 -1.26 -4.70 114.28 114.88 1fhs n THR 108 Ca 0.10 1.01 -0.42 0.00 -3.05 0.00 0.00 64.05 61.69 1fhs n THR 108 Cb 0.47 -2.25 -0.03 0.00 -1.55 0.00 0.00 70.33 66.97 1fhs n THR 108 CO 0.00 0.00 0.00 -0.72 -3.05 0.00 0.00 175.07 171.30 1fhs s TYR 109 N -0.16 1.84 -0.14 1.09 1.13 -1.26 -4.96 117.35 114.88 1fhs s TYR 109 Ca 0.00 0.18 0.00 0.00 -1.41 0.00 0.00 57.07 55.84 1fhs s TYR 109 Cb 0.00 -3.98 -0.01 0.00 -1.10 0.00 0.00 41.96 36.87 1fhs s TYR 109 CO 0.00 -3.96 -0.15 0.14 -2.51 0.00 0.00 175.55 169.07 1fhs s VAL 110 N 4.61 2.75 -0.25 -3.49 -7.23 -1.26 -5.05 120.40 110.48 1fhs s VAL 110 Ca 0.77 -0.75 -0.41 0.00 -1.81 0.00 0.00 61.98 59.78 1fhs s VAL 110 Cb -0.33 -2.15 -0.17 0.00 0.56 0.00 0.00 36.38 34.29 1fhs s VAL 110 CO 0.32 0.52 1.61 0.00 -0.31 0.00 0.00 175.10 177.24 1fhs n GLN 111 N 3.85 0.83 0.00 4.82 10.64 -1.26 -5.24 117.38 131.02 1fhs n GLN 111 Ca -0.19 0.30 0.00 0.00 -1.83 0.00 0.00 57.00 55.29 1fhs n GLN 111 Cb 0.52 -1.93 0.00 0.00 -0.86 0.00 0.00 30.24 27.97 1fhs n GLN 111 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23