#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1fhs h ILE 2 N 0.00 0.73 -4.26 -0.61 1.08 -2.04 -3.48 117.51 108.93 1fhs h ILE 2 Ca 0.00 -0.24 0.00 0.00 -0.39 0.00 0.00 64.86 64.23 1fhs h ILE 2 Cb 0.00 -0.03 0.00 0.00 -3.07 0.00 0.00 36.82 33.72 1fhs h ILE 2 CO 0.00 0.13 -0.95 1.21 -0.69 0.00 0.00 178.15 177.85 1fhs n GLU 3 N -4.81 -5.49 -2.60 2.37 4.07 -1.26 -4.71 120.64 108.21 1fhs n GLU 3 Ca 0.20 3.90 -0.42 0.00 -0.06 0.00 0.00 57.16 60.78 1fhs n GLU 3 Cb 0.48 -4.21 -0.03 0.00 -0.06 0.00 0.00 31.44 27.62 1fhs n GLU 3 CO 0.00 0.00 0.00 1.41 -0.06 0.00 0.00 177.13 178.48 1fhs s MET 4 N -0.96 3.29 0.41 5.31 -2.45 -1.26 -4.80 119.30 118.84 1fhs s MET 4 Ca 0.00 -0.14 0.00 0.00 -1.25 0.00 0.00 55.69 54.30 1fhs s MET 4 Cb 0.00 -4.13 0.00 0.00 1.25 0.00 0.00 34.83 31.95 1fhs s MET 4 CO 0.00 -1.95 0.00 0.36 1.05 0.00 0.00 175.02 174.48 1fhs n LYS 5 N 8.87 -2.68 -2.32 4.11 2.85 -1.26 -4.74 118.16 122.99 1fhs n LYS 5 Ca 0.04 2.11 -0.42 0.00 -1.05 0.00 0.00 58.31 58.98 1fhs n LYS 5 Cb 0.49 -2.89 -0.03 0.00 -0.65 0.00 0.00 35.03 31.95 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 -4.87 4.26 0.14 -1.58 0.04 -1.26 -4.95 135.00 126.78 1fhs s PRO 6 Ca 0.00 1.82 -0.34 0.00 0.04 0.00 0.00 61.00 62.52 1fhs s PRO 6 Cb 0.00 -3.70 -0.17 0.00 0.04 0.00 0.00 34.50 30.67 1fhs s PRO 6 CO 0.00 -0.64 1.11 1.58 0.04 0.00 0.00 177.00 179.09 1fhs n HIS 7 N 6.07 1.05 0.00 0.56 -0.00 -1.26 -4.94 115.22 116.69 1fhs n HIS 7 Ca 0.14 0.76 0.00 0.00 0.46 0.00 0.00 57.72 59.08 1fhs n HIS 7 Cb 0.45 -2.22 0.00 0.00 -0.12 0.00 0.00 29.99 28.09 1fhs n HIS 7 CO 0.00 0.00 0.00 -0.35 0.46 0.00 0.00 176.34 176.45 1fhs n PRO 8 N 1.74 0.00 -2.61 1.57 -0.04 -1.26 -4.67 135.00 129.74 1fhs n PRO 8 Ca 0.17 0.00 -0.00 0.00 -0.04 0.00 0.00 63.50 63.62 1fhs n PRO 8 Cb 0.21 0.00 0.05 0.00 -0.04 0.00 0.00 33.50 33.72 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 1.14 -4.05 0.54 4.27 -1.26 -4.29 117.44 113.78 1fhs n TRP 9 Ca 0.00 -1.91 -0.32 0.00 -3.89 0.00 0.00 57.50 51.38 1fhs n TRP 9 Cb 0.00 -0.22 -0.16 0.00 -1.36 0.00 0.00 31.31 29.57 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 -3.27 2.74 -0.26 -2.67 2.19 -1.26 -2.94 117.98 112.52 1fhs s PHE 10 Ca 0.29 -1.80 0.02 0.00 0.33 0.00 0.00 56.93 55.77 1fhs s PHE 10 Cb 0.33 -1.80 0.07 0.00 -1.31 0.00 0.00 43.02 40.31 1fhs s PHE 10 CO -0.05 -0.80 -0.04 -0.06 1.83 0.00 0.00 175.22 176.09 1fhs s PHE 11 N 1.29 2.72 -0.18 10.12 0.40 -1.12 -4.96 117.98 126.24 1fhs s PHE 11 Ca -0.01 -2.04 -0.28 0.00 -0.60 0.00 0.00 56.93 53.99 1fhs s PHE 11 Cb -0.16 -1.83 -0.05 0.00 0.51 0.00 0.00 43.02 41.48 1fhs s PHE 11 CO -0.09 -0.83 2.11 0.20 0.70 0.00 0.00 175.22 177.31 1fhs s GLY 12 N 1.28 0.73 -0.46 4.36 0.00 -1.26 -2.87 107.32 109.10 1fhs s GLY 12 Ca -0.04 0.81 -0.02 0.00 0.00 0.00 0.00 44.72 45.48 1fhs s GLY 12 CO -0.07 3.66 0.05 0.58 0.00 0.00 0.00 173.10 177.31 1fhs n LYS 13 N 8.47 -0.97 -1.74 2.90 2.85 -1.19 -4.70 118.16 123.77 1fhs n LYS 13 Ca 0.27 0.03 -0.42 0.00 -1.05 0.00 0.00 58.31 57.14 1fhs n LYS 13 Cb 0.44 -1.08 -0.03 0.00 -0.65 0.00 0.00 35.03 33.72 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 -2.91 2.03 -0.25 0.58 1.10 -1.19 -4.81 121.20 115.76 1fhs s ILE 14 Ca 0.06 0.02 -0.41 0.00 -0.51 0.00 0.00 60.65 59.81 1fhs s ILE 14 Cb -0.04 -3.01 -0.17 0.00 0.15 0.00 0.00 42.46 39.39 1fhs s ILE 14 CO 0.28 0.00 1.59 -2.65 -2.11 0.00 0.00 174.94 172.05 1fhs n PRO 15 N 3.41 0.79 -0.31 3.50 -0.02 -1.26 -4.65 135.00 136.46 1fhs n PRO 15 Ca 0.13 0.29 0.27 0.00 -2.02 0.00 0.00 63.50 62.17 1fhs n PRO 15 Cb 0.36 -1.91 0.50 0.00 -0.02 0.00 0.00 33.50 32.43 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 4.27 -0.06 0.00 -0.52 0.63 -1.26 -0.24 116.66 119.48 1fhs n ARG 16 Ca 0.26 1.32 0.00 0.00 -0.92 0.00 0.00 57.85 58.51 1fhs n ARG 16 Cb 0.09 -2.32 0.00 0.00 0.45 0.00 0.00 32.46 30.68 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 -2.47 -0.03 -0.29 5.13 0.00 -1.26 -0.16 120.51 121.42 1fhs n ALA 17 Ca 0.33 0.00 0.29 0.00 0.00 0.00 0.00 53.44 54.06 1fhs n ALA 17 Cb 1.12 0.08 0.53 0.00 0.00 0.00 0.00 19.45 21.18 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 -0.80 -0.05 0.15 0.00 3.00 0.09 0.12 118.16 120.66 1fhs n LYS 18 Ca 0.00 1.23 -0.08 0.00 -0.00 0.00 0.00 58.31 59.46 1fhs n LYS 18 Cb 0.00 -2.22 -0.04 0.00 0.00 0.00 0.00 35.03 32.77 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 1.78 -0.97 -0.99 3.14 0.00 -0.25 -1.54 119.26 120.44 1fhs h ALA 19 Ca 0.76 -0.09 0.34 0.00 0.00 0.00 0.00 54.91 55.93 1fhs h ALA 19 Cb 2.03 0.41 -0.16 0.00 0.00 0.00 0.00 17.79 20.07 1fhs h ALA 19 CO -0.68 -0.97 0.48 0.93 0.00 0.00 0.00 179.25 179.01 1fhs h GLU 20 N -0.46 0.17 0.00 0.00 5.08 0.43 -0.26 114.58 119.54 1fhs h GLU 20 Ca -0.03 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.32 1fhs h GLU 20 Cb 0.39 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.60 1fhs h GLU 20 CO -0.00 0.11 0.00 0.39 -1.00 0.00 0.00 179.01 178.51 1fhs n GLU 21 N -5.18 0.00 -0.37 2.33 1.02 0.31 0.12 120.64 118.87 1fhs n GLU 21 Ca 0.32 0.00 0.31 0.00 -0.02 0.00 0.00 57.16 57.77 1fhs n GLU 21 Cb 1.04 -0.41 0.57 0.00 -0.02 0.00 0.00 31.44 32.63 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 -0.40 3.49 -0.00 -1.37 1.30 114.93 118.08 1fhs h MET 22 Ca 0.00 -0.01 -0.11 0.00 -0.00 0.00 0.00 59.70 59.59 1fhs h MET 22 Cb 0.00 -0.03 -0.01 0.00 -0.00 0.00 0.00 31.60 31.56 1fhs h MET 22 CO 0.00 0.10 -0.16 1.25 -0.00 0.00 0.00 176.91 178.10 1fhs h LEU 23 N 0.15 0.84 -1.11 -0.10 5.85 -1.08 -2.26 115.31 117.59 1fhs h LEU 23 Ca 0.79 -0.39 -0.03 0.00 0.84 0.00 0.00 57.88 59.09 1fhs h LEU 23 Cb 2.17 -0.23 -0.03 0.00 0.37 0.00 0.00 40.66 42.94 1fhs h LEU 23 CO -0.57 1.04 0.22 0.77 -0.34 0.00 0.00 178.44 179.56 1fhs h SER 24 N 0.63 0.77 0.00 1.25 4.64 0.95 -1.86 113.55 119.93 1fhs h SER 24 Ca 0.09 -0.10 0.00 0.00 -0.47 0.00 0.00 61.79 61.31 1fhs h SER 24 Cb 0.71 -0.20 0.00 0.00 -0.31 0.00 0.00 62.40 62.60 1fhs h SER 24 CO 0.05 0.70 0.00 0.29 -0.87 0.00 0.00 176.83 177.01 1fhs n LYS 25 N -4.32 0.47 -4.14 4.77 5.02 0.10 -4.73 118.16 115.33 1fhs n LYS 25 Ca 0.05 0.00 -0.34 0.00 -2.02 0.00 0.00 58.31 55.99 1fhs n LYS 25 Cb 0.17 -1.27 -0.08 0.00 -0.02 0.00 0.00 35.03 33.84 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 0.57 3.13 0.00 1.97 -1.52 -0.70 -4.96 119.66 118.15 1fhs s GLN 26 Ca 0.00 -0.38 -0.02 0.00 -1.95 0.00 0.00 55.36 53.01 1fhs s GLN 26 Cb 0.00 -2.92 -0.11 0.00 -0.22 0.00 0.00 33.01 29.76 1fhs s GLN 26 CO 0.00 0.70 2.58 0.54 -0.25 0.00 0.00 175.29 178.86 1fhs n ARG 27 N 1.67 1.36 -2.94 2.91 3.00 -1.26 -4.78 116.66 116.61 1fhs n ARG 27 Ca -0.16 -0.41 -0.01 0.00 -0.01 0.00 0.00 57.85 57.25 1fhs n ARG 27 Cb 0.53 -1.43 -0.01 0.00 0.00 0.00 0.00 32.46 31.55 1fhs n ARG 27 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 177.63 179.21 1fhs n HIS 28 N 1.95 -1.56 -2.18 -1.55 -0.00 -1.26 -4.97 115.22 105.65 1fhs n HIS 28 Ca 0.18 0.85 -0.05 0.00 -0.00 0.00 0.00 57.72 58.70 1fhs n HIS 28 Cb 0.65 -2.05 -0.00 0.00 -0.00 0.00 0.00 29.99 28.58 1fhs n HIS 28 CO 0.00 0.00 0.00 -3.47 -0.00 0.00 0.00 176.34 172.87 1fhs n ASP 29 N 1.91 -1.02 0.00 0.26 2.03 -1.26 -4.97 116.55 113.50 1fhs n ASP 29 Ca -0.11 -1.86 0.00 0.00 0.52 0.00 0.00 54.79 53.34 1fhs n ASP 29 Cb 0.26 0.38 0.00 0.00 -0.72 0.00 0.00 41.12 41.04 1fhs n ASP 29 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1fhs n GLY 30 N -0.46 0.70 3.55 0.27 0.00 -1.24 -4.00 105.19 104.01 1fhs n GLY 30 Ca -0.22 0.00 -0.50 0.00 0.00 0.00 0.00 46.02 45.30 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 0.90 -1.44 -2.90 4.61 0.00 -1.25 -1.45 120.51 118.98 1fhs n ALA 31 Ca 0.00 0.48 -0.10 0.00 0.00 0.00 0.00 53.44 53.82 1fhs n ALA 31 Cb 0.00 -1.94 -0.06 0.00 0.00 0.00 0.00 19.45 17.45 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 -0.27 0.11 -0.05 0.00 -0.71 -1.04 -1.86 117.98 114.14 1fhs s PHE 32 Ca 0.74 -0.47 -0.14 0.00 -1.04 0.00 0.00 56.93 56.02 1fhs s PHE 32 Cb -0.92 0.12 0.03 0.00 -1.21 0.00 0.00 43.02 41.04 1fhs s PHE 32 CO 0.53 -0.74 0.33 -0.48 -1.34 0.00 0.00 175.22 173.53 1fhs s LEU 33 N -2.89 0.75 -0.35 -1.99 0.05 -0.84 -4.04 118.68 109.36 1fhs s LEU 33 Ca 0.10 0.31 -0.07 0.00 0.05 0.00 0.00 54.13 54.52 1fhs s LEU 33 Cb 0.02 1.28 0.04 0.00 -2.05 0.00 0.00 46.19 45.48 1fhs s LEU 33 CO -0.05 -0.34 0.13 -0.63 -0.55 0.00 0.00 176.35 174.91 1fhs s ILE 34 N -0.82 3.96 -0.17 1.48 1.01 -1.15 -1.27 121.20 124.23 1fhs s ILE 34 Ca -0.09 -1.08 -0.18 0.00 0.00 0.00 0.00 60.65 59.30 1fhs s ILE 34 Cb -0.04 -3.24 -0.04 0.00 0.01 0.00 0.00 42.46 39.15 1fhs s ILE 34 CO 0.03 -0.20 0.49 0.00 0.00 0.00 0.00 174.94 175.26 1fhs s ARG 35 N 1.43 4.24 0.12 2.79 1.70 -1.14 -2.80 118.95 125.29 1fhs s ARG 35 Ca -0.01 0.40 -0.31 0.00 -0.47 0.00 0.00 55.73 55.34 1fhs s ARG 35 Cb -0.19 -3.52 -0.08 0.00 -0.57 0.00 0.00 34.95 30.59 1fhs s ARG 35 CO 0.04 -0.03 1.44 -2.00 -1.08 0.00 0.00 175.30 173.66 1fhs s GLU 36 N 1.25 4.29 0.13 3.89 2.12 -1.14 -3.73 118.70 125.52 1fhs s GLU 36 Ca 0.24 2.14 -0.31 0.00 0.36 0.00 0.00 54.97 57.40 1fhs s GLU 36 Cb -0.15 -3.25 -0.09 0.00 0.26 0.00 0.00 34.13 30.90 1fhs s GLU 36 CO 0.10 -0.49 1.47 -1.12 -0.54 0.00 0.00 175.26 174.67 1fhs s SER 37 N 1.19 6.73 0.00 -1.70 0.01 -0.31 -3.19 113.70 116.43 1fhs s SER 37 Ca 0.66 2.44 0.00 0.00 1.31 0.00 0.00 55.95 60.36 1fhs s SER 37 Cb -0.38 -2.59 0.00 0.00 0.21 0.00 0.00 66.02 63.26 1fhs s SER 37 CO 0.30 -0.73 0.14 -0.62 0.41 0.00 0.00 173.24 172.74 1fhs n GLU 38 N 4.00 0.00 -0.01 12.44 4.71 -1.26 -3.83 120.64 136.68 1fhs n GLU 38 Ca 0.12 0.14 -0.08 0.00 -0.01 0.00 0.00 57.16 57.33 1fhs n GLU 38 Cb 0.41 -0.60 -0.13 0.00 -1.01 0.00 0.00 31.44 30.11 1fhs n GLU 38 CO 0.00 0.00 0.00 1.03 0.09 0.00 0.00 177.13 178.25 1fhs h SER 39 N 0.00 0.00 -2.34 1.62 0.87 -1.99 -3.48 113.55 108.24 1fhs h SER 39 Ca 0.00 0.00 -0.60 0.00 -1.23 0.00 0.00 61.79 59.96 1fhs h SER 39 Cb 0.00 0.00 0.17 0.00 -0.44 0.00 0.00 62.40 62.13 1fhs h SER 39 CO 0.00 0.95 -0.75 0.00 -0.53 0.00 0.00 176.83 176.50 1fhs n ALA 40 N -2.53 -2.16 0.83 6.23 0.00 -1.25 -4.80 120.51 116.83 1fhs n ALA 40 Ca -0.16 0.02 0.10 0.00 0.00 0.00 0.00 53.44 53.40 1fhs n ALA 40 Cb 1.03 -1.62 0.49 0.00 0.00 0.00 0.00 19.45 19.35 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 0.81 0.10 0.00 0.00 -0.04 -1.26 -4.38 135.00 130.23 1fhs n PRO 41 Ca 0.10 0.12 0.00 0.00 -0.04 0.00 0.00 63.50 63.68 1fhs n PRO 41 Cb 0.45 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.41 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 0.66 0.00 3.74 0.55 0.00 -1.26 -5.14 105.19 103.75 1fhs n GLY 42 Ca 0.07 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.70 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 0.00 6.85 -0.06 1.61 1.11 -1.26 -4.82 116.67 120.10 1fhs s ASP 43 Ca 0.00 1.02 -0.03 0.00 0.18 0.00 0.00 52.55 53.71 1fhs s ASP 43 Cb 0.00 -2.33 0.03 0.00 1.07 0.00 0.00 42.92 41.69 1fhs s ASP 43 CO 0.00 0.04 0.14 -0.36 1.18 0.00 0.00 175.17 176.17 1fhs s PHE 44 N 0.24 -0.16 -0.04 4.23 0.40 -1.25 -1.16 117.98 120.24 1fhs s PHE 44 Ca 0.30 0.46 0.07 0.00 -0.60 0.00 0.00 56.93 57.15 1fhs s PHE 44 Cb -0.17 -0.05 -0.02 0.00 0.51 0.00 0.00 43.02 43.29 1fhs s PHE 44 CO 0.14 -0.15 -0.24 -1.54 0.70 0.00 0.00 175.22 174.14 1fhs s SER 45 N 0.92 3.20 -0.32 1.36 1.04 -1.24 0.15 113.70 118.81 1fhs s SER 45 Ca -0.07 -0.45 -0.12 0.00 0.48 0.00 0.00 55.95 55.79 1fhs s SER 45 Cb -0.09 -0.60 -0.02 0.00 0.10 0.00 0.00 66.02 65.41 1fhs s SER 45 CO -0.05 0.29 0.21 -0.22 0.98 0.00 0.00 173.24 174.46 1fhs s LEU 46 N -0.45 4.33 -0.10 2.42 0.20 0.10 -2.90 118.68 122.28 1fhs s LEU 46 Ca 0.05 -0.37 -0.09 0.00 0.69 0.00 0.00 54.13 54.41 1fhs s LEU 46 Cb -0.11 -2.10 -0.04 0.00 -0.43 0.00 0.00 46.19 43.50 1fhs s LEU 46 CO 0.01 -0.19 0.20 -0.44 -0.29 0.00 0.00 176.35 175.64 1fhs s SER 47 N 1.70 6.48 0.02 3.68 0.01 -0.40 0.90 113.70 126.10 1fhs s SER 47 Ca 0.06 0.57 0.01 0.00 1.31 0.00 0.00 55.95 57.90 1fhs s SER 47 Cb -0.17 -2.11 -0.02 0.00 0.21 0.00 0.00 66.02 63.93 1fhs s SER 47 CO 0.10 0.37 -0.04 -0.69 0.41 0.00 0.00 173.24 173.38 1fhs s VAL 48 N -0.93 0.25 -0.57 3.43 1.01 0.23 -1.99 120.40 121.84 1fhs s VAL 48 Ca 0.17 -0.83 -0.28 0.00 0.00 0.00 0.00 61.98 61.03 1fhs s VAL 48 Cb -0.13 -0.35 0.03 0.00 0.00 0.00 0.00 36.38 35.93 1fhs s VAL 48 CO 0.06 -0.38 1.25 -0.75 0.00 0.00 0.00 175.10 175.28 1fhs s LYS 49 N -1.28 3.47 0.00 2.72 2.47 -0.78 -1.22 119.74 125.13 1fhs s LYS 49 Ca -0.12 0.33 0.00 0.00 -1.56 0.00 0.00 55.97 54.62 1fhs s LYS 49 Cb -0.09 -4.04 0.00 0.00 -1.46 0.00 0.00 37.83 32.25 1fhs s LYS 49 CO -0.00 -1.73 0.00 0.34 0.16 0.00 0.00 175.35 174.12 1fhs n PHE 50 N 8.70 0.00 -0.01 4.03 7.35 -1.11 -3.81 117.46 132.61 1fhs n PHE 50 Ca 0.10 0.00 -0.01 0.00 -0.76 0.00 0.00 57.45 56.78 1fhs n PHE 50 Cb 0.49 0.00 -0.00 0.00 0.35 0.00 0.00 39.48 40.32 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 3.48 -0.49 0.00 7.13 0.00 -1.26 -4.70 105.19 109.35 1fhs n GLY 51 Ca 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 46.02 46.00 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 -2.60 4.64 -4.70 1.61 2.85 -1.26 -4.67 115.26 111.12 1fhs n ASN 52 Ca -0.01 0.00 -0.24 0.00 -0.11 0.00 0.00 54.58 54.23 1fhs n ASN 52 Cb 0.03 0.78 -0.06 0.00 1.24 0.00 0.00 39.78 41.76 1fhs n ASN 52 CO 0.00 0.00 0.00 1.51 -2.11 0.00 0.00 177.26 176.66 1fhs s ASP 53 N -2.18 4.90 -0.26 1.20 -4.77 -1.26 -5.00 116.67 109.30 1fhs s ASP 53 Ca 0.00 -0.46 -0.28 0.00 -3.30 0.00 0.00 52.55 48.51 1fhs s ASP 53 Cb 0.00 -1.06 0.01 0.00 -1.09 0.00 0.00 42.92 40.78 1fhs s ASP 53 CO 0.00 0.01 1.02 -0.69 0.70 0.00 0.00 175.17 176.22 1fhs s VAL 54 N -2.11 4.65 0.21 2.11 1.01 -1.26 -2.76 120.40 122.25 1fhs s VAL 54 Ca 0.31 1.87 0.05 0.00 0.00 0.00 0.00 61.98 64.21 1fhs s VAL 54 Cb -0.08 -4.32 -0.03 0.00 0.00 0.00 0.00 36.38 31.95 1fhs s VAL 54 CO 0.21 -0.26 0.26 -1.58 0.00 0.00 0.00 175.10 173.73 1fhs s GLN 55 N 3.29 3.19 0.01 2.72 0.74 -0.35 -4.95 119.66 124.31 1fhs s GLN 55 Ca 0.43 -0.84 0.03 0.00 0.05 0.00 0.00 55.36 55.03 1fhs s GLN 55 Cb -0.14 -2.76 -0.01 0.00 1.10 0.00 0.00 33.01 31.20 1fhs s GLN 55 CO 0.09 0.45 -0.08 -3.38 -0.55 0.00 0.00 175.29 171.82 1fhs s HIS 56 N -1.94 0.72 -0.31 1.67 -3.43 -1.26 -0.60 115.29 110.14 1fhs s HIS 56 Ca 0.33 -0.24 0.00 0.00 -0.80 0.00 0.00 55.06 54.35 1fhs s HIS 56 Cb -0.09 -0.45 0.10 0.00 -1.43 0.00 0.00 32.58 30.71 1fhs s HIS 56 CO 0.27 -0.02 0.08 -0.06 -2.00 0.00 0.00 174.74 173.01 1fhs s PHE 57 N -0.55 2.10 -0.24 0.38 0.08 0.26 -4.91 117.98 115.10 1fhs s PHE 57 Ca -0.00 -1.95 -0.29 0.00 0.12 0.00 0.00 56.93 54.81 1fhs s PHE 57 Cb -0.05 -1.92 -0.03 0.00 -0.57 0.00 0.00 43.02 40.45 1fhs s PHE 57 CO 0.00 -0.88 1.76 0.15 -0.10 0.00 0.00 175.22 176.15 1fhs s LYS 58 N 1.48 3.60 -1.13 0.44 1.02 -1.26 0.02 119.74 123.90 1fhs s LYS 58 Ca 0.09 1.68 -0.22 0.00 0.02 0.00 0.00 55.97 57.54 1fhs s LYS 58 Cb -0.18 -4.13 -0.02 0.00 -0.52 0.00 0.00 37.83 32.99 1fhs s LYS 58 CO -0.21 -1.54 1.81 0.08 -0.92 0.00 0.00 175.35 174.57 1fhs s VAL 59 N 6.02 3.74 0.75 3.17 1.01 0.40 -4.62 120.40 130.86 1fhs s VAL 59 Ca 0.78 -1.06 -0.11 0.00 0.00 0.00 0.00 61.98 61.60 1fhs s VAL 59 Cb -0.26 -4.70 0.04 0.00 0.00 0.00 0.00 36.38 31.46 1fhs s VAL 59 CO 0.32 -1.40 1.08 -0.76 0.00 0.00 0.00 175.10 174.34 1fhs s LEU 60 N 8.11 2.96 0.14 3.92 1.43 -1.01 -3.80 118.68 130.44 1fhs s LEU 60 Ca 0.61 1.63 -0.05 0.00 -1.03 0.00 0.00 54.13 55.30 1fhs s LEU 60 Cb -0.01 -4.38 -0.02 0.00 0.03 0.00 0.00 46.19 41.81 1fhs s LEU 60 CO 0.06 -1.80 0.16 -0.60 0.23 0.00 0.00 176.35 174.39 1fhs s ARG 61 N -5.00 1.02 0.00 1.70 3.00 -1.26 -1.36 118.95 117.04 1fhs s ARG 61 Ca 0.60 -1.29 0.00 0.00 -1.00 0.00 0.00 55.73 54.03 1fhs s ARG 61 Cb -0.15 0.31 0.00 0.00 0.00 0.00 0.00 34.95 35.10 1fhs s ARG 61 CO 0.55 -0.33 0.00 -0.25 0.00 0.00 0.00 175.30 175.28 1fhs n ASP 62 N -0.14 0.00 0.00 -2.12 8.00 -1.15 -4.99 116.55 116.15 1fhs n ASP 62 Ca -0.07 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.43 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 0.00 1.54 1.15 0.44 0.00 -1.26 -3.07 105.19 103.98 1fhs n GLY 63 Ca 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 46.02 45.99 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 2.32 0.00 4.61 0.00 -1.26 -5.05 120.51 121.13 1fhs n ALA 64 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1fhs n ALA 64 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 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 1.20 0.00 0.00 0.00 0.00 -1.17 -5.17 105.19 100.05 1fhs n GLY 65 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 0.52 -4.33 1.61 4.76 -1.25 -4.91 118.16 114.55 1fhs n LYS 66 Ca 0.00 0.00 -0.29 0.00 -2.87 0.00 0.00 58.31 55.15 1fhs n LYS 66 Cb 0.00 0.00 -0.12 0.00 -1.84 0.00 0.00 35.03 33.07 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 -0.88 2.46 -0.21 2.13 1.51 -1.15 -2.93 117.35 118.28 1fhs s TYR 67 Ca 0.00 -0.30 -0.27 0.00 -1.01 0.00 0.00 57.07 55.48 1fhs s TYR 67 Cb 0.00 -1.30 0.11 0.00 -0.11 0.00 0.00 41.96 40.65 1fhs s TYR 67 CO 0.00 0.38 0.93 -0.59 -1.11 0.00 0.00 175.55 175.16 1fhs s PHE 68 N -1.16 -0.51 0.03 2.71 -0.12 -0.46 0.11 117.98 118.58 1fhs s PHE 68 Ca 0.17 1.11 -0.26 0.00 -0.05 0.00 0.00 56.93 57.90 1fhs s PHE 68 Cb -0.10 0.38 -0.17 0.00 -0.63 0.00 0.00 43.02 42.50 1fhs s PHE 68 CO 0.09 -0.34 1.41 -0.07 -0.05 0.00 0.00 175.22 176.26 1fhs h LEU 69 N 3.66 -0.24 0.00 -1.99 -0.00 -1.82 -2.67 115.31 112.24 1fhs h LEU 69 Ca -0.25 -0.17 0.00 0.00 -0.00 0.00 0.00 57.88 57.45 1fhs h LEU 69 Cb 1.16 0.06 0.00 0.00 -0.00 0.00 0.00 40.66 41.89 1fhs h LEU 69 CO 0.20 0.04 -0.01 0.79 -0.00 0.00 0.00 178.44 179.46 1fhs n TRP 70 N -5.10 0.00 0.00 1.13 8.01 -1.26 -4.65 117.44 115.57 1fhs n TRP 70 Ca -0.09 0.00 0.00 0.00 -1.31 0.00 0.00 57.50 56.10 1fhs n TRP 70 Cb 0.22 0.25 0.00 0.00 -2.01 0.00 0.00 31.31 29.76 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 -2.01 0.00 -1.60 -0.99 0.31 -1.26 -5.07 118.33 107.71 1fhs n VAL 71 Ca 0.00 0.00 -0.48 0.00 -0.01 0.00 0.00 64.34 63.85 1fhs n VAL 71 Cb 0.01 -0.22 -0.04 0.00 -0.91 0.00 0.00 33.84 32.68 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 -0.80 0.75 -3.22 2.52 0.24 -1.26 -4.82 118.33 111.74 1fhs n VAL 72 Ca 0.00 -0.19 -0.24 0.00 -2.04 0.00 0.00 64.34 61.87 1fhs n VAL 72 Cb 0.00 -1.02 -0.01 0.00 -1.47 0.00 0.00 33.84 31.35 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 -0.21 3.41 -0.01 7.34 1.02 -1.26 -4.10 119.74 125.92 1fhs s LYS 73 Ca 0.74 -0.31 0.02 0.00 0.02 0.00 0.00 55.97 56.44 1fhs s LYS 73 Cb -0.81 -2.61 -0.00 0.00 -0.52 0.00 0.00 37.83 33.89 1fhs s LYS 73 CO 0.50 0.03 -0.07 -0.06 -0.92 0.00 0.00 175.35 174.82 1fhs s PHE 74 N -2.41 0.73 0.36 3.18 0.40 0.30 -4.96 117.98 115.58 1fhs s PHE 74 Ca 0.42 -0.16 0.05 0.00 -0.60 0.00 0.00 56.93 56.65 1fhs s PHE 74 Cb -0.10 -0.51 0.67 0.00 0.51 0.00 0.00 43.02 43.59 1fhs s PHE 74 CO 0.37 -0.05 1.93 -2.95 0.70 0.00 0.00 175.22 175.22 1fhs h ASN 75 N 6.21 0.51 -5.02 1.36 7.08 -1.99 -3.05 115.58 120.68 1fhs h ASN 75 Ca -0.32 -0.07 -0.08 0.00 -3.08 0.00 0.00 56.30 52.75 1fhs h ASN 75 Cb 1.18 -0.13 -0.18 0.00 -2.08 0.00 0.00 38.32 37.11 1fhs h ASN 75 CO 0.49 0.51 -0.10 -0.55 -2.08 0.00 0.00 177.43 175.70 1fhs s SER 76 N -6.70 -0.32 0.35 6.14 0.15 -1.26 -4.89 113.70 107.18 1fhs s SER 76 Ca -0.08 0.13 0.19 0.00 0.70 0.00 0.00 55.95 56.89 1fhs s SER 76 Cb 0.16 0.41 1.27 0.00 -1.71 0.00 0.00 66.02 66.15 1fhs s SER 76 CO 0.76 -0.60 1.52 0.18 1.20 0.00 0.00 173.24 176.30 1fhs n LEU 77 N 0.76 0.31 -0.31 3.45 4.77 -1.26 0.61 117.00 125.34 1fhs n LEU 77 Ca -0.19 1.60 0.13 0.00 -0.03 0.00 0.00 56.01 57.51 1fhs n LEU 77 Cb 0.58 -0.77 0.30 0.00 -2.33 0.00 0.00 43.42 41.20 1fhs n LEU 77 CO 0.21 -1.78 1.06 0.78 -1.33 0.00 0.00 177.39 176.33 1fhs h ASN 78 N 0.00 0.39 0.33 -1.43 4.21 -1.98 0.44 115.58 117.54 1fhs h ASN 78 Ca 0.80 0.14 -0.18 0.00 1.21 0.00 0.00 56.30 58.28 1fhs h ASN 78 Cb 2.11 0.11 -0.01 0.00 -1.12 0.00 0.00 38.32 39.41 1fhs h ASN 78 CO -0.75 0.04 -0.72 -0.08 -1.29 0.00 0.00 177.43 174.63 1fhs h GLU 79 N 0.45 0.33 -0.47 0.81 4.81 -0.24 0.42 114.58 120.69 1fhs h GLU 79 Ca 0.55 -0.27 0.05 0.00 -0.13 0.00 0.00 59.36 59.56 1fhs h GLU 79 Cb 1.01 0.06 -0.05 0.00 0.63 0.00 0.00 28.75 30.40 1fhs h GLU 79 CO -0.50 0.91 0.21 1.25 -0.73 0.00 0.00 179.01 180.15 1fhs h LEU 80 N 0.23 0.28 -0.76 1.64 6.46 -0.23 0.36 115.31 123.28 1fhs h LEU 80 Ca -0.03 0.04 -0.04 0.00 -0.12 0.00 0.00 57.88 57.73 1fhs h LEU 80 Cb 1.28 -0.01 -0.03 0.00 -0.73 0.00 0.00 40.66 41.17 1fhs h LEU 80 CO 0.12 0.20 0.31 0.58 -0.62 0.00 0.00 178.44 179.02 1fhs h VAL 81 N 0.42 1.26 -0.29 1.05 2.07 0.01 -2.35 116.25 118.41 1fhs h VAL 81 Ca 0.21 -0.80 -0.19 0.00 0.82 0.00 0.00 66.70 66.75 1fhs h VAL 81 Cb 0.16 0.35 0.00 0.00 -1.52 0.00 0.00 31.29 30.28 1fhs h VAL 81 CO -0.18 0.32 -0.55 -0.78 0.02 0.00 0.00 177.57 176.41 1fhs h ASP 82 N 1.10 0.99 -0.92 0.57 3.58 -0.38 -3.02 116.42 118.35 1fhs h ASP 82 Ca 0.26 -0.53 0.08 0.00 0.42 0.00 0.00 57.03 57.25 1fhs h ASP 82 Cb 0.21 -0.28 -0.07 0.00 1.72 0.00 0.00 39.33 40.90 1fhs h ASP 82 CO -0.02 1.34 0.57 0.22 -2.88 0.00 0.00 179.24 178.47 1fhs h TYR 83 N 0.68 1.06 -0.66 0.28 3.20 -0.06 0.05 116.97 121.52 1fhs h TYR 83 Ca 0.01 0.03 -0.45 0.00 3.14 0.00 0.00 58.73 61.47 1fhs h TYR 83 Cb 1.16 -0.34 -0.19 0.00 1.54 0.00 0.00 36.73 38.90 1fhs h TYR 83 CO 0.07 0.51 0.58 0.72 -1.64 0.00 0.00 178.16 178.40 1fhs n HIS 84 N -4.60 2.13 0.43 -3.82 8.25 -0.91 -3.94 115.22 112.75 1fhs n HIS 84 Ca 0.14 -2.34 0.06 0.00 -0.26 0.00 0.00 57.72 55.33 1fhs n HIS 84 Cb 0.22 -1.13 -0.09 0.00 1.12 0.00 0.00 29.99 30.11 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 -0.09 1.91 0.00 -0.41 0.63 0.00 -3.75 116.66 114.96 1fhs n ARG 85 Ca 0.41 -0.04 0.00 0.00 -0.92 0.00 0.00 57.85 57.30 1fhs n ARG 85 Cb 0.60 -1.19 0.00 0.00 0.45 0.00 0.00 32.46 32.32 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 -1.52 1.22 -1.83 6.15 2.88 -1.25 -4.77 113.62 114.49 1fhs n SER 86 Ca 0.01 0.00 -0.16 0.00 -1.33 0.00 0.00 58.87 57.39 1fhs n SER 86 Cb 0.25 0.00 0.05 0.00 -0.75 0.00 0.00 64.21 63.77 1fhs n SER 86 CO 0.00 0.00 0.00 0.35 -1.23 0.00 0.00 175.04 174.16 1fhs n THR 87 N -2.06 2.61 -0.49 2.46 -2.24 -1.25 -5.00 114.28 108.31 1fhs n THR 87 Ca 0.00 -1.49 0.00 0.00 -2.27 0.00 0.00 64.05 60.29 1fhs n THR 87 Cb 0.19 -1.18 0.00 0.00 -2.10 0.00 0.00 70.33 67.24 1fhs n THR 87 CO 0.00 0.00 0.00 -0.24 -0.57 0.00 0.00 175.07 174.26 1fhs n SER 88 N 0.16 -0.46 -2.70 3.42 2.88 -1.24 -4.58 113.62 111.10 1fhs n SER 88 Ca 0.30 0.00 -0.07 0.00 -1.33 0.00 0.00 58.87 57.78 1fhs n SER 88 Cb 0.71 0.00 0.07 0.00 -0.75 0.00 0.00 64.21 64.23 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 -0.11 0.65 0.00 2.46 3.14 -1.26 -4.58 118.33 118.62 1fhs n VAL 89 Ca 0.00 -2.39 0.00 0.00 -2.96 0.00 0.00 64.34 58.99 1fhs n VAL 89 Cb 0.00 0.88 0.00 0.00 -1.06 0.00 0.00 33.84 33.66 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 -0.42 0.00 -0.33 6.55 2.88 -1.26 -5.00 113.62 116.04 1fhs n SER 90 Ca 0.03 0.00 0.23 0.00 -1.33 0.00 0.00 58.87 57.80 1fhs n SER 90 Cb 0.83 0.00 0.45 0.00 -0.75 0.00 0.00 64.21 64.74 1fhs n SER 90 CO 0.00 0.00 0.00 0.08 -1.23 0.00 0.00 175.04 173.89 1fhs h ARG 91 N 0.00 0.08 -5.96 -1.46 0.11 -1.98 -2.88 114.38 102.28 1fhs h ARG 91 Ca 0.00 -0.00 -0.45 0.00 0.10 0.00 0.00 59.98 59.63 1fhs h ARG 91 Cb 0.00 -0.02 -0.06 0.00 1.11 0.00 0.00 29.97 31.00 1fhs h ARG 91 CO 0.00 0.05 1.11 -0.80 0.10 0.00 0.00 179.97 180.43 1fhs s ASN 92 N -4.79 5.59 -0.61 0.08 0.01 -1.26 -4.88 114.94 109.07 1fhs s ASN 92 Ca -0.11 -0.50 -0.27 0.00 -0.71 0.00 0.00 52.86 51.28 1fhs s ASN 92 Cb 0.31 -2.55 -0.02 0.00 0.41 0.00 0.00 41.25 39.40 1fhs s ASN 92 CO 0.78 -2.27 1.86 -1.10 -1.51 0.00 0.00 177.10 174.86 1fhs s GLN 93 N 6.44 2.63 -0.17 -0.60 -0.21 -1.09 -4.36 119.66 122.30 1fhs s GLN 93 Ca 0.59 0.61 0.01 0.00 0.02 0.00 0.00 55.36 56.59 1fhs s GLN 93 Cb -0.07 -4.39 0.02 0.00 1.00 0.00 0.00 33.01 29.57 1fhs s GLN 93 CO 0.06 -2.73 0.81 0.94 -2.12 0.00 0.00 175.29 172.25 1fhs n GLN 94 N 9.19 0.07 -4.04 2.91 7.27 -1.26 -5.06 117.38 126.45 1fhs n GLN 94 Ca 0.20 -0.34 -0.09 0.00 0.07 0.00 0.00 57.00 56.84 1fhs n GLN 94 Cb 0.52 0.01 -0.11 0.00 2.41 0.00 0.00 30.24 33.07 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 0.01 0.27 0.37 1.69 1.01 -1.26 -4.97 121.20 118.32 1fhs s ILE 95 Ca 0.01 -1.30 -0.04 0.00 0.00 0.00 0.00 60.65 59.32 1fhs s ILE 95 Cb 0.02 -0.82 0.01 0.00 0.01 0.00 0.00 42.46 41.68 1fhs s ILE 95 CO -0.01 -0.66 0.54 -0.36 0.00 0.00 0.00 174.94 174.46 1fhs s PHE 96 N -2.37 0.98 -0.25 3.97 0.08 -1.26 -3.72 117.98 115.40 1fhs s PHE 96 Ca -0.06 -1.27 0.01 0.00 0.12 0.00 0.00 56.93 55.73 1fhs s PHE 96 Cb -0.03 0.06 0.07 0.00 -0.57 0.00 0.00 43.02 42.55 1fhs s PHE 96 CO -0.04 -1.25 -0.04 -0.51 -0.10 0.00 0.00 175.22 173.28 1fhs s LEU 97 N -3.24 2.83 0.15 -0.37 1.43 -1.25 -3.73 118.68 114.51 1fhs s LEU 97 Ca 0.28 -1.32 0.08 0.00 -1.03 0.00 0.00 54.13 52.15 1fhs s LEU 97 Cb -0.01 -1.23 -0.04 0.00 0.03 0.00 0.00 46.19 44.93 1fhs s LEU 97 CO 0.20 -0.26 -0.19 -0.13 0.23 0.00 0.00 176.35 176.21 1fhs s ARG 98 N 1.34 1.25 -0.18 1.70 1.81 -0.53 -4.93 118.95 119.42 1fhs s ARG 98 Ca -0.04 -1.37 -0.36 0.00 -1.72 0.00 0.00 55.73 52.25 1fhs s ARG 98 Cb -0.19 -1.34 -0.13 0.00 -0.45 0.00 0.00 34.95 32.84 1fhs s ARG 98 CO -0.07 0.28 1.89 -3.47 -0.68 0.00 0.00 175.30 173.24 1fhs n ASP 99 N 0.42 3.01 -0.97 0.23 2.03 -1.26 -2.50 116.55 117.51 1fhs n ASP 99 Ca -0.14 0.93 0.00 0.00 0.52 0.00 0.00 54.79 56.09 1fhs n ASP 99 Cb 0.56 -1.30 0.00 0.00 -0.72 0.00 0.00 41.12 39.67 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 5.28 0.56 -3.70 5.18 3.06 -1.26 -4.62 119.36 123.87 1fhs n ILE 100 Ca 0.26 0.00 -0.11 0.00 -2.50 0.00 0.00 62.75 60.40 1fhs n ILE 100 Cb 0.24 -0.77 -0.11 0.00 0.54 0.00 0.00 39.64 39.54 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 0.32 0.33 0.02 9.51 0.41 -1.26 -4.95 118.70 123.08 1fhs s GLU 101 Ca 0.00 0.74 -0.39 0.00 -0.41 0.00 0.00 54.97 54.91 1fhs s GLU 101 Cb 0.00 -0.03 -0.19 0.00 -1.78 0.00 0.00 34.13 32.13 1fhs s GLU 101 CO 0.00 -0.17 1.19 0.94 -0.49 0.00 0.00 175.26 176.73 1fhs n GLN 102 N 4.35 0.44 -2.17 1.61 -0.06 -1.26 -4.82 117.38 115.47 1fhs n GLN 102 Ca -0.23 0.16 -0.41 0.00 -2.00 0.00 0.00 57.00 54.52 1fhs n GLN 102 Cb 0.54 -1.71 -0.03 0.00 -4.06 0.00 0.00 30.24 24.98 1fhs n GLN 102 CO 0.00 0.00 0.00 0.54 -0.20 0.00 0.00 177.06 177.40 1fhs s VAL 103 N 0.30 3.03 0.00 1.69 0.11 -1.26 -4.89 120.40 119.37 1fhs s VAL 103 Ca 0.89 0.88 -0.30 0.00 -2.93 0.00 0.00 61.98 60.51 1fhs s VAL 103 Cb -1.16 -3.56 -0.06 0.00 -1.53 0.00 0.00 36.38 30.08 1fhs s VAL 103 CO 0.54 0.14 1.41 -2.16 -3.33 0.00 0.00 175.10 171.70 1fhs s PRO 104 N -0.41 4.28 0.00 1.54 0.04 -1.26 -4.67 135.00 134.52 1fhs s PRO 104 Ca 0.56 1.98 0.00 0.00 0.04 0.00 0.00 61.00 63.58 1fhs s PRO 104 Cb -0.38 -3.58 0.00 0.00 0.04 0.00 0.00 34.50 30.58 1fhs s PRO 104 CO 0.41 -0.58 0.00 1.04 0.04 0.00 0.00 177.00 177.91 1fhs n GLN 105 N 5.40 0.00 -3.99 4.56 6.02 -1.26 -5.01 117.38 123.10 1fhs n GLN 105 Ca 0.13 0.24 -0.26 0.00 -0.01 0.00 0.00 57.00 57.11 1fhs n GLN 105 Cb 0.44 0.00 -0.04 0.00 1.02 0.00 0.00 30.24 31.66 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 -3.22 3.25 -0.27 -1.09 -1.52 -1.26 -5.03 119.66 110.53 1fhs s GLN 106 Ca 0.00 -0.71 -0.41 0.00 -1.95 0.00 0.00 55.36 52.30 1fhs s GLN 106 Cb 0.00 -2.85 -0.16 0.00 -0.22 0.00 0.00 33.01 29.78 1fhs s GLN 106 CO 0.00 0.50 1.68 -2.30 -0.25 0.00 0.00 175.29 174.92 1fhs n PRO 107 N -0.55 1.00 -1.77 2.91 -0.02 -1.26 -4.31 135.00 131.00 1fhs n PRO 107 Ca -0.08 0.37 0.00 0.00 -2.02 0.00 0.00 63.50 61.77 1fhs n PRO 107 Cb 0.54 -2.02 0.00 0.00 -0.02 0.00 0.00 33.50 32.00 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 4.29 -9.82 -3.96 3.45 -1.04 -1.26 -4.99 114.28 100.95 1fhs n THR 108 Ca 0.26 2.76 -0.28 0.00 -2.04 0.00 0.00 64.05 64.75 1fhs n THR 108 Cb 0.11 -4.45 -0.17 0.00 -1.82 0.00 0.00 70.33 64.01 1fhs n THR 108 CO 0.00 0.00 0.00 -0.47 -0.64 0.00 0.00 175.07 173.96 1fhs s TYR 109 N -0.90 1.79 -0.14 -1.42 6.14 -1.26 -5.10 117.35 116.46 1fhs s TYR 109 Ca 0.00 -0.96 -0.06 0.00 0.64 0.00 0.00 57.07 56.70 1fhs s TYR 109 Cb 0.00 -1.40 0.06 0.00 0.42 0.00 0.00 41.96 41.05 1fhs s TYR 109 CO 0.00 -0.59 0.29 0.54 0.64 0.00 0.00 175.55 176.44 1fhs s VAL 110 N 1.61 -0.31 0.38 3.14 0.11 -1.26 -5.10 120.40 118.96 1fhs s VAL 110 Ca 0.05 0.22 0.00 0.00 -2.93 0.00 0.00 61.98 59.32 1fhs s VAL 110 Cb -0.13 -0.47 0.00 0.00 -1.53 0.00 0.00 36.38 34.25 1fhs s VAL 110 CO -0.09 0.09 0.00 0.00 -3.33 0.00 0.00 175.10 171.77 1fhs n GLN 111 N 4.97 -2.94 0.00 1.54 10.64 -1.26 -5.30 117.38 125.03 1fhs n GLN 111 Ca -0.13 2.24 0.15 0.00 -1.83 0.00 0.00 57.00 57.43 1fhs n GLN 111 Cb 0.51 -2.83 0.73 0.00 -0.86 0.00 0.00 30.24 27.79 1fhs n GLN 111 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23