#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1f9a s ARG 2 N 0.00 1.57 0.23 3.23 0.52 -1.26 -1.81 118.95 121.44 1f9a s ARG 2 Ca 0.00 -0.29 -0.04 0.00 -0.52 0.00 0.00 55.73 54.88 1f9a s ARG 2 Cb 0.00 -1.56 -0.05 0.00 0.52 0.00 0.00 34.95 33.85 1f9a s ARG 2 CO 0.00 -0.21 0.48 0.20 0.02 0.00 0.00 175.30 175.79 1f9a s GLY 3 N 1.51 1.96 -0.09 -3.53 0.00 -0.38 -0.16 107.32 106.64 1f9a s GLY 3 Ca 0.01 -0.59 0.03 0.00 0.00 0.00 0.00 44.72 44.17 1f9a s GLY 3 CO -0.06 -0.50 -0.19 -0.12 0.00 0.00 0.00 173.10 172.23 1f9a s PHE 4 N -1.92 2.11 0.08 1.90 5.36 0.39 -0.60 117.98 125.30 1f9a s PHE 4 Ca 0.42 -0.86 0.05 0.00 -0.96 0.00 0.00 56.93 55.59 1f9a s PHE 4 Cb -0.11 -1.46 -0.03 0.00 -0.34 0.00 0.00 43.02 41.08 1f9a s PHE 4 CO 0.28 -0.38 -0.14 -1.50 -1.46 0.00 0.00 175.22 172.02 1f9a s ILE 5 N 0.52 1.13 -0.02 3.12 2.07 -0.54 -1.12 121.20 126.36 1f9a s ILE 5 Ca -0.16 -1.39 0.02 0.00 -1.41 0.00 0.00 60.65 57.70 1f9a s ILE 5 Cb -0.17 -1.16 0.01 0.00 0.13 0.00 0.00 42.46 41.27 1f9a s ILE 5 CO 0.06 -0.28 -0.06 -0.51 -1.91 0.00 0.00 174.94 172.24 1f9a s ILE 6 N -1.49 0.53 0.32 2.00 2.07 -1.26 -0.89 121.20 122.48 1f9a s ILE 6 Ca 0.00 -0.21 -0.19 0.00 -1.41 0.00 0.00 60.65 58.85 1f9a s ILE 6 Cb -0.09 -0.50 0.04 0.00 0.13 0.00 0.00 42.46 42.05 1f9a s ILE 6 CO 0.02 0.18 0.77 -0.83 -1.91 0.00 0.00 174.94 173.18 1f9a s GLY 7 N 0.34 0.13 0.06 1.50 0.00 -0.97 -4.97 107.32 103.41 1f9a s GLY 7 Ca -0.04 -0.50 0.18 0.00 0.00 0.00 0.00 44.72 44.35 1f9a s GLY 7 CO -0.00 -0.12 0.81 0.54 0.00 0.00 0.00 173.10 174.33 1f9a n ARG 8 N -0.50 0.62 -3.78 2.90 1.74 -1.26 -0.87 116.66 115.51 1f9a n ARG 8 Ca -0.06 0.19 -0.25 0.00 -0.77 0.00 0.00 57.85 56.96 1f9a n ARG 8 Cb 0.59 -1.79 0.02 0.00 -1.02 0.00 0.00 32.46 30.26 1f9a n ARG 8 CO 0.00 0.00 0.00 1.19 -1.52 0.00 0.00 177.63 177.30 1f9a n PHE 9 N -2.84 -1.82 -3.88 -1.55 3.01 -1.26 -4.78 117.46 104.34 1f9a n PHE 9 Ca -0.09 0.71 -0.29 0.00 1.01 0.00 0.00 57.45 58.79 1f9a n PHE 9 Cb 0.81 -3.91 -0.13 0.00 -0.01 0.00 0.00 39.48 36.24 1f9a n PHE 9 CO 0.00 0.00 0.00 -0.65 1.01 0.00 0.00 176.76 177.12 1f9a s GLN 10 N -6.16 2.17 0.47 -1.08 1.11 -1.26 -2.54 119.66 112.36 1f9a s GLN 10 Ca 0.12 -2.99 0.08 0.00 0.01 0.00 0.00 55.36 52.58 1f9a s GLN 10 Cb -0.04 -3.22 0.02 0.00 -1.01 0.00 0.00 33.01 28.76 1f9a s GLN 10 CO 0.85 -1.23 0.54 -1.25 0.01 0.00 0.00 175.29 174.21 1f9a s PRO 11 N -0.93 2.56 0.20 2.91 0.04 -1.26 -4.63 135.00 133.89 1f9a s PRO 11 Ca 0.23 -1.51 -0.32 0.00 0.04 0.00 0.00 61.00 59.44 1f9a s PRO 11 Cb -0.12 -2.54 -0.14 0.00 0.04 0.00 0.00 34.50 31.74 1f9a s PRO 11 CO -0.11 -0.41 1.32 0.34 0.04 0.00 0.00 177.00 178.18 1f9a n PHE 12 N -1.83 1.81 -4.32 0.56 7.35 -1.05 -4.70 117.46 115.27 1f9a n PHE 12 Ca 0.07 0.53 -0.17 0.00 -0.76 0.00 0.00 57.45 57.12 1f9a n PHE 12 Cb 0.61 -2.39 -0.05 0.00 0.35 0.00 0.00 39.48 38.00 1f9a n PHE 12 CO 0.00 0.00 0.00 -2.39 -0.76 0.00 0.00 176.76 173.61 1f9a n HIS 13 N 1.87 -0.10 0.28 -5.13 1.44 -1.26 -4.64 115.22 107.68 1f9a n HIS 13 Ca 0.13 -1.94 0.17 0.00 -2.01 0.00 0.00 57.72 54.08 1f9a n HIS 13 Cb 0.28 0.06 0.78 0.00 0.12 0.00 0.00 29.99 31.23 1f9a n HIS 13 CO 0.00 0.00 0.00 0.87 -2.81 0.00 0.00 176.34 174.40 1f9a h LYS 14 N 0.00 0.00 -0.23 -1.40 1.57 -1.65 -1.88 116.57 112.98 1f9a h LYS 14 Ca -0.21 0.00 -0.08 0.00 -1.87 0.00 0.00 60.65 58.48 1f9a h LYS 14 Cb 0.88 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 33.19 1f9a h LYS 14 CO 0.33 0.03 -0.18 0.78 -0.57 0.00 0.00 179.45 179.84 1f9a h GLY 15 N 1.54 0.57 1.22 3.86 0.00 -1.84 -1.42 103.07 107.01 1f9a h GLY 15 Ca -0.00 -0.56 -0.05 0.00 0.00 0.00 0.00 47.33 46.72 1f9a h GLY 15 CO 0.00 0.51 0.22 0.45 0.00 0.00 0.00 176.54 177.72 1f9a h HIS 16 N 0.22 1.00 0.05 5.60 3.86 -1.72 0.11 115.15 124.27 1f9a h HIS 16 Ca 0.04 -0.08 -0.00 0.00 -1.16 0.00 0.00 60.37 59.17 1f9a h HIS 16 Cb 0.72 -0.30 0.00 0.00 1.06 0.00 0.00 27.41 28.89 1f9a h HIS 16 CO 0.07 0.79 -0.02 1.25 0.86 0.00 0.00 177.93 180.88 1f9a h LEU 17 N 0.96 -0.05 -0.06 2.43 6.46 -1.19 -1.42 115.31 122.43 1f9a h LEU 17 Ca 0.22 -0.22 -0.00 0.00 -0.12 0.00 0.00 57.88 57.76 1f9a h LEU 17 Cb 0.24 0.01 -0.00 0.00 -0.73 0.00 0.00 40.66 40.18 1f9a h LEU 17 CO -0.01 0.19 0.04 -0.33 -0.62 0.00 0.00 178.44 177.70 1f9a h GLU 18 N -0.29 0.08 0.00 1.25 4.39 -0.94 -0.32 114.58 118.75 1f9a h GLU 18 Ca -0.01 -0.01 -0.01 0.00 0.34 0.00 0.00 59.36 59.68 1f9a h GLU 18 Cb 0.26 -0.02 -0.00 0.00 -0.10 0.00 0.00 28.75 28.90 1f9a h GLU 18 CO 0.01 0.10 -0.05 -0.24 -1.16 0.00 0.00 179.01 177.67 1f9a h VAL 19 N 0.04 0.17 0.09 3.13 3.04 -0.63 0.11 116.25 122.20 1f9a h VAL 19 Ca 0.02 -0.53 -0.17 0.00 -1.01 0.00 0.00 66.70 65.01 1f9a h VAL 19 Cb 0.04 1.44 0.00 0.00 -2.01 0.00 0.00 31.29 30.77 1f9a h VAL 19 CO -0.00 0.05 -0.83 0.40 -1.01 0.00 0.00 177.57 176.17 1f9a h ILE 20 N 0.00 1.39 -0.80 3.17 2.04 -0.99 -1.56 117.51 120.76 1f9a h ILE 20 Ca -0.00 -2.43 0.18 0.00 1.00 0.00 0.00 64.86 63.61 1f9a h ILE 20 Cb 0.44 3.02 -0.11 0.00 -0.74 0.00 0.00 36.82 39.43 1f9a h ILE 20 CO 0.01 0.65 0.29 0.11 0.00 0.00 0.00 178.15 179.20 1f9a h LYS 21 N -0.56 0.36 -0.34 2.37 1.57 -0.88 0.16 116.57 119.26 1f9a h LYS 21 Ca -0.17 -0.02 -0.01 0.00 -1.87 0.00 0.00 60.65 58.58 1f9a h LYS 21 Cb 1.50 -0.08 -0.02 0.00 0.08 0.00 0.00 32.23 33.71 1f9a h LYS 21 CO 0.06 0.24 0.18 -0.22 -0.57 0.00 0.00 179.45 179.13 1f9a h LYS 22 N 0.37 0.48 -0.51 3.15 1.63 -0.57 -2.87 116.57 118.25 1f9a h LYS 22 Ca 0.47 -0.06 -0.07 0.00 -0.85 0.00 0.00 60.65 60.14 1f9a h LYS 22 Cb 0.81 -0.09 -0.02 0.00 -0.60 0.00 0.00 32.23 32.33 1f9a h LYS 22 CO -0.49 0.41 0.06 0.82 -3.45 0.00 0.00 179.45 176.81 1f9a h ILE 23 N 0.42 1.25 0.00 2.00 2.04 -0.50 -1.32 117.51 121.41 1f9a h ILE 23 Ca 0.12 -0.98 0.00 0.00 1.00 0.00 0.00 64.86 65.00 1f9a h ILE 23 Cb 0.08 0.89 0.00 0.00 -0.74 0.00 0.00 36.82 37.06 1f9a h ILE 23 CO -0.02 0.35 0.00 0.00 0.00 0.00 0.00 178.15 178.48 1f9a n ALA 24 N -2.42 1.65 0.85 1.87 0.00 0.50 -0.78 120.51 122.18 1f9a n ALA 24 Ca 0.01 -0.05 0.14 0.00 0.00 0.00 0.00 53.44 53.54 1f9a n ALA 24 Cb 0.27 -1.16 0.52 0.00 0.00 0.00 0.00 19.45 19.08 1f9a n ALA 24 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1f9a n GLU 25 N -1.27 0.11 -0.01 0.00 1.02 -0.50 -4.27 120.64 115.73 1f9a n GLU 25 Ca 0.05 0.09 0.02 0.00 -0.02 0.00 0.00 57.16 57.29 1f9a n GLU 25 Cb 0.08 -1.62 -0.05 0.00 -0.02 0.00 0.00 31.44 29.82 1f9a n GLU 25 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 1f9a n GLU 26 N -1.81 1.02 -4.07 3.49 1.02 0.04 -5.03 120.64 115.31 1f9a n GLU 26 Ca 0.06 -0.05 -0.10 0.00 -0.02 0.00 0.00 57.16 57.05 1f9a n GLU 26 Cb 0.38 -1.17 -0.11 0.00 -0.02 0.00 0.00 31.44 30.52 1f9a n GLU 26 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 1f9a s VAL 27 N -2.40 0.38 0.15 2.62 0.11 -1.06 -5.03 120.40 115.18 1f9a s VAL 27 Ca -0.03 -1.34 -0.04 0.00 -2.93 0.00 0.00 61.98 57.64 1f9a s VAL 27 Cb 0.04 -0.90 -0.14 0.00 -1.53 0.00 0.00 36.38 33.85 1f9a s VAL 27 CO 0.29 -0.63 1.38 0.44 -3.33 0.00 0.00 175.10 173.24 1f9a h ASP 28 N 3.97 0.56 -4.36 3.54 3.32 -1.66 -3.41 116.42 118.38 1f9a h ASP 28 Ca -0.34 -0.39 -0.27 0.00 0.02 0.00 0.00 57.03 56.05 1f9a h ASP 28 Cb 1.18 -0.17 -0.15 0.00 0.22 0.00 0.00 39.33 40.42 1f9a h ASP 28 CO 0.50 1.16 -0.71 -1.61 -1.72 0.00 0.00 179.24 176.87 1f9a s GLU 29 N -3.53 0.91 -0.06 3.56 2.02 -1.05 -4.44 118.70 116.11 1f9a s GLU 29 Ca -0.06 -1.35 0.00 0.00 0.02 0.00 0.00 54.97 53.57 1f9a s GLU 29 Cb 0.10 -0.38 0.02 0.00 0.10 0.00 0.00 34.13 33.97 1f9a s GLU 29 CO 0.86 0.02 -0.04 0.42 0.02 0.00 0.00 175.26 176.55 1f9a s ILE 30 N -3.39 0.57 -0.53 -1.63 1.01 -1.01 -1.25 121.20 114.97 1f9a s ILE 30 Ca 0.13 -0.07 -0.24 0.00 0.00 0.00 0.00 60.65 60.47 1f9a s ILE 30 Cb 0.03 -0.63 0.04 0.00 0.01 0.00 0.00 42.46 41.91 1f9a s ILE 30 CO -0.02 0.26 0.92 -0.63 0.00 0.00 0.00 174.94 175.47 1f9a s ILE 31 N 1.39 4.43 -0.70 2.92 1.09 0.23 -1.35 121.20 129.21 1f9a s ILE 31 Ca -0.03 0.33 -0.26 0.00 -1.10 0.00 0.00 60.65 59.58 1f9a s ILE 31 Cb -0.13 -4.51 0.04 0.00 -1.06 0.00 0.00 42.46 36.80 1f9a s ILE 31 CO -0.03 -1.05 1.20 -0.63 -0.10 0.00 0.00 174.94 174.34 1f9a s ILE 32 N 3.85 3.88 -0.13 2.92 1.01 -0.40 -1.47 121.20 130.88 1f9a s ILE 32 Ca 0.31 0.35 -0.29 0.00 0.00 0.00 0.00 60.65 61.01 1f9a s ILE 32 Cb -0.12 -4.84 -0.03 0.00 0.01 0.00 0.00 42.46 37.47 1f9a s ILE 32 CO 0.20 -1.70 1.46 -0.83 0.00 0.00 0.00 174.94 174.08 1f9a s GLY 33 N 3.59 1.55 -1.17 6.18 0.00 -0.06 -0.29 107.32 117.12 1f9a s GLY 33 Ca 0.34 0.65 -0.10 0.00 0.00 0.00 0.00 44.72 45.61 1f9a s GLY 33 CO 0.16 2.78 1.38 1.39 0.00 0.00 0.00 173.10 178.81 1f9a n ILE 34 N 5.54 4.56 -0.87 0.90 5.41 0.31 -2.30 119.36 132.91 1f9a n ILE 34 Ca 0.16 -5.12 -0.36 0.00 1.00 0.00 0.00 62.75 58.43 1f9a n ILE 34 Cb 0.44 -2.44 0.09 0.00 -0.71 0.00 0.00 39.64 37.02 1f9a n ILE 34 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 1f9a n GLY 35 N 2.96 -2.81 4.06 7.39 0.00 -0.05 -0.97 105.19 115.77 1f9a n GLY 35 Ca 0.31 -0.39 -0.37 0.00 0.00 0.00 0.00 46.02 45.57 1f9a n GLY 35 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1f9a n SER 36 N 1.40 -2.14 -0.00 1.61 7.64 -0.99 -4.59 113.62 116.54 1f9a n SER 36 Ca -0.01 -1.14 -0.09 0.00 1.01 0.00 0.00 58.87 58.64 1f9a n SER 36 Cb 0.70 -1.37 0.06 0.00 -1.01 0.00 0.00 64.21 62.58 1f9a n SER 36 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1f9a h ALA 37 N 1.59 0.70 0.00 -0.43 0.00 -1.63 -1.24 119.26 118.24 1f9a h ALA 37 Ca -0.61 -0.50 0.00 0.00 0.00 0.00 0.00 54.91 53.80 1f9a h ALA 37 Cb 1.22 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.93 1f9a h ALA 37 CO 0.50 0.68 0.00 0.00 0.00 0.00 0.00 179.25 180.44 1f9a n GLN 38 N -3.97 0.23 -2.92 0.00 0.00 -1.26 -3.51 117.38 105.95 1f9a n GLN 38 Ca -0.03 0.02 -0.41 0.00 0.00 0.00 0.00 57.00 56.59 1f9a n GLN 38 Cb 0.60 -1.50 -0.04 0.00 0.00 0.00 0.00 30.24 29.30 1f9a n GLN 38 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.06 177.21 1f9a s LYS 39 N -2.76 4.46 0.16 2.61 1.02 -0.47 -5.02 119.74 119.74 1f9a s LYS 39 Ca 0.21 1.06 -0.24 0.00 0.02 0.00 0.00 55.97 57.02 1f9a s LYS 39 Cb 0.18 -3.47 0.06 0.00 -0.52 0.00 0.00 37.83 34.09 1f9a s LYS 39 CO 0.46 -0.02 0.77 -1.54 -0.92 0.00 0.00 175.35 174.10 1f9a s SER 40 N 0.90 -0.36 -0.86 2.83 1.04 -1.24 -4.62 113.70 111.40 1f9a s SER 40 Ca 0.42 -0.25 -0.04 0.00 0.48 0.00 0.00 55.95 56.56 1f9a s SER 40 Cb -0.19 0.57 0.00 0.00 0.10 0.00 0.00 66.02 66.50 1f9a s SER 40 CO 0.20 -0.98 0.49 1.41 0.98 0.00 0.00 173.24 175.35 1f9a n HIS 41 N -0.39 -1.37 -4.22 5.02 8.25 -0.59 -4.88 115.22 117.05 1f9a n HIS 41 Ca -0.09 0.42 -0.13 0.00 -0.26 0.00 0.00 57.72 57.66 1f9a n HIS 41 Cb 0.62 -3.17 -0.10 0.00 1.12 0.00 0.00 29.99 28.46 1f9a n HIS 41 CO 0.00 0.00 0.00 0.99 0.64 0.00 0.00 176.34 177.97 1f9a s THR 42 N -3.02 0.89 0.41 1.59 2.01 -0.72 -4.94 115.64 111.85 1f9a s THR 42 Ca 0.24 -2.00 0.19 0.00 0.31 0.00 0.00 61.69 60.44 1f9a s THR 42 Cb -0.11 -1.84 0.20 0.00 0.01 0.00 0.00 72.50 70.76 1f9a s THR 42 CO 0.30 -0.74 1.97 -0.07 -0.69 0.00 0.00 174.62 175.39 1f9a h LEU 43 N 2.83 0.00 0.00 4.42 3.38 -1.93 -1.63 115.31 122.38 1f9a h LEU 43 Ca -0.36 0.00 -0.23 0.00 0.09 0.00 0.00 57.88 57.38 1f9a h LEU 43 Cb 1.18 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.90 1f9a h LEU 43 CO 0.64 0.21 -1.20 -0.33 0.09 0.00 0.00 178.44 177.85 1f9a h GLU 44 N 0.00 0.00 -2.62 1.13 4.39 -1.99 -3.42 114.58 112.07 1f9a h GLU 44 Ca -0.00 0.00 -0.60 0.00 0.34 0.00 0.00 59.36 59.10 1f9a h GLU 44 Cb 0.43 0.00 -0.39 0.00 -0.10 0.00 0.00 28.75 28.69 1f9a h GLU 44 CO 0.03 0.80 -0.84 -0.80 -1.16 0.00 0.00 179.01 177.03 1f9a s ASN 45 N -6.48 2.60 0.27 1.42 0.01 -0.98 -4.89 114.94 106.89 1f9a s ASN 45 Ca -0.01 -3.24 0.05 0.00 -0.71 0.00 0.00 52.86 48.95 1f9a s ASN 45 Cb 0.09 -0.82 0.36 0.00 0.41 0.00 0.00 41.25 41.30 1f9a s ASN 45 CO 0.82 -0.16 1.64 1.55 -1.51 0.00 0.00 177.10 179.45 1f9a h PRO 46 N 5.68 0.29 -6.07 -0.60 0.13 -1.56 -1.41 132.00 128.46 1f9a h PRO 46 Ca 0.21 -0.15 -0.68 0.00 -0.87 0.00 0.00 66.00 64.50 1f9a h PRO 46 Cb 0.87 0.01 -0.22 0.00 0.13 0.00 0.00 31.00 31.78 1f9a h PRO 46 CO 0.47 0.70 -0.73 -0.06 -0.23 0.00 0.00 178.00 178.14 1f9a s PHE 47 N -4.05 2.82 0.83 1.56 0.40 -1.26 -1.54 117.98 116.75 1f9a s PHE 47 Ca -0.05 -0.16 -0.11 0.00 -0.60 0.00 0.00 56.93 56.01 1f9a s PHE 47 Cb 0.13 -1.71 0.09 0.00 0.51 0.00 0.00 43.02 42.05 1f9a s PHE 47 CO 0.79 0.18 1.13 0.99 0.70 0.00 0.00 175.22 179.01 1f9a s THR 48 N -0.56 2.60 0.22 0.64 2.01 -1.26 -4.58 115.64 114.72 1f9a s THR 48 Ca 0.08 0.21 -0.08 0.00 0.31 0.00 0.00 61.69 62.21 1f9a s THR 48 Cb -0.12 -2.48 0.17 0.00 0.01 0.00 0.00 72.50 70.08 1f9a s THR 48 CO 0.02 -0.24 1.73 0.00 -0.69 0.00 0.00 174.62 175.43 1f9a h ALA 49 N -1.34 0.82 0.04 7.40 0.00 -1.85 -1.44 119.26 122.89 1f9a h ALA 49 Ca -0.44 0.11 -0.00 0.00 0.00 0.00 0.00 54.91 54.58 1f9a h ALA 49 Cb 1.26 0.11 0.00 0.00 0.00 0.00 0.00 17.79 19.16 1f9a h ALA 49 CO 0.47 -0.24 -0.02 0.78 0.00 0.00 0.00 179.25 180.24 1f9a h GLY 50 N 0.36 -0.06 0.10 0.00 0.00 -1.92 -0.59 103.07 100.96 1f9a h GLY 50 Ca 0.33 0.02 0.15 0.00 0.00 0.00 0.00 47.33 47.84 1f9a h GLY 50 CO -0.37 -0.02 0.32 0.83 0.00 0.00 0.00 176.54 177.30 1f9a h GLU 51 N -0.17 0.44 -0.46 4.80 5.08 -1.90 -2.10 114.58 120.27 1f9a h GLU 51 Ca -0.01 -0.03 -0.08 0.00 -1.00 0.00 0.00 59.36 58.25 1f9a h GLU 51 Cb 0.15 -0.10 -0.02 0.00 0.50 0.00 0.00 28.75 29.29 1f9a h GLU 51 CO 0.01 0.29 -0.03 0.00 -1.00 0.00 0.00 179.01 178.28 1f9a h ARG 52 N 0.45 0.84 -0.94 2.33 3.08 -0.86 -1.38 114.38 117.91 1f9a h ARG 52 Ca 0.44 -0.28 0.10 0.00 0.07 0.00 0.00 59.98 60.31 1f9a h ARG 52 Cb 0.69 -0.07 -0.08 0.00 0.08 0.00 0.00 29.97 30.59 1f9a h ARG 52 CO -0.42 0.91 0.58 0.82 -1.07 0.00 0.00 179.97 180.78 1f9a h ILE 53 N 0.68 0.94 -0.12 2.04 2.04 -1.10 -1.27 117.51 120.72 1f9a h ILE 53 Ca 0.13 -0.33 -0.02 0.00 1.00 0.00 0.00 64.86 65.64 1f9a h ILE 53 Cb 0.55 -0.09 -0.00 0.00 -0.74 0.00 0.00 36.82 36.53 1f9a h ILE 53 CO 0.03 0.17 -0.00 0.25 0.00 0.00 0.00 178.15 178.60 1f9a h LEU 54 N 0.95 0.21 -0.42 1.44 5.85 -1.07 -0.75 115.31 121.52 1f9a h LEU 54 Ca 0.45 -0.32 0.09 0.00 0.84 0.00 0.00 57.88 58.94 1f9a h LEU 54 Cb 0.39 -0.06 -0.09 0.00 0.37 0.00 0.00 40.66 41.28 1f9a h LEU 54 CO -0.25 0.48 -0.18 0.24 -0.34 0.00 0.00 178.44 178.40 1f9a h MET 55 N -0.06 -0.09 0.21 1.25 2.86 -1.04 -1.42 114.93 116.63 1f9a h MET 55 Ca 0.03 0.01 -0.01 0.00 -2.06 0.00 0.00 59.70 57.67 1f9a h MET 55 Cb 0.37 0.02 0.00 0.00 0.06 0.00 0.00 31.60 32.05 1f9a h MET 55 CO 0.01 -0.06 -0.10 0.82 1.06 0.00 0.00 176.91 178.64 1f9a h ILE 56 N -0.09 0.87 -0.82 -1.22 2.04 -1.17 -1.20 117.51 115.92 1f9a h ILE 56 Ca 0.21 -0.43 0.02 0.00 1.00 0.00 0.00 64.86 65.66 1f9a h ILE 56 Cb 0.41 1.12 -0.04 0.00 -0.74 0.00 0.00 36.82 37.56 1f9a h ILE 56 CO -0.48 0.10 0.54 0.74 0.00 0.00 0.00 178.15 179.04 1f9a h THR 57 N -0.49 1.17 0.00 -0.27 2.02 -1.01 -1.62 112.91 112.71 1f9a h THR 57 Ca -0.03 -0.37 -0.07 0.00 0.77 0.00 0.00 66.41 66.72 1f9a h THR 57 Cb 0.37 0.01 -0.01 0.00 -1.74 0.00 0.00 68.15 66.78 1f9a h THR 57 CO 0.05 0.20 -0.33 1.56 0.37 0.00 0.00 175.52 177.37 1f9a h GLN 58 N 1.07 0.00 -0.18 6.66 1.08 -1.28 -1.69 115.11 120.76 1f9a h GLN 58 Ca 0.31 0.00 -0.17 0.00 -1.45 0.00 0.00 58.65 57.34 1f9a h GLN 58 Cb -0.06 0.00 -0.00 0.00 -0.05 0.00 0.00 27.48 27.36 1f9a h GLN 58 CO -0.09 0.33 -0.58 0.77 -0.95 0.00 0.00 178.83 178.31 1f9a h SER 59 N 0.00 0.66 -0.00 1.46 0.02 -0.35 -3.37 113.55 111.97 1f9a h SER 59 Ca -0.00 -0.37 0.00 0.00 -0.84 0.00 0.00 61.79 60.58 1f9a h SER 59 Cb 0.73 -0.19 0.00 0.00 0.14 0.00 0.00 62.40 63.08 1f9a h SER 59 CO 0.04 1.10 -0.77 0.18 -1.14 0.00 0.00 176.83 176.24 1f9a n LEU 60 N -3.95 0.80 0.02 5.07 4.77 -0.69 -4.63 117.00 118.38 1f9a n LEU 60 Ca -0.04 -0.50 0.04 0.00 -0.03 0.00 0.00 56.01 55.48 1f9a n LEU 60 Cb 0.63 0.00 0.43 0.00 -2.33 0.00 0.00 43.42 42.15 1f9a n LEU 60 CO 0.48 0.20 1.13 0.07 -1.33 0.00 0.00 177.39 177.93 1f9a h LYS 61 N 0.03 0.49 -0.00 3.23 2.10 -1.48 -0.98 116.57 119.96 1f9a h LYS 61 Ca 0.00 -0.04 0.00 0.00 -2.00 0.00 0.00 60.65 58.61 1f9a h LYS 61 Cb 0.39 -0.11 0.00 0.00 -0.90 0.00 0.00 32.23 31.62 1f9a h LYS 61 CO 0.00 0.35 -0.03 -0.25 -2.00 0.00 0.00 179.45 177.52 1f9a n ASP 62 N -4.46 0.12 0.12 7.07 8.00 -1.26 -4.33 116.55 121.81 1f9a n ASP 62 Ca 0.02 -0.39 0.12 0.00 0.71 0.00 0.00 54.79 55.25 1f9a n ASP 62 Cb 0.08 -0.19 0.14 0.00 -0.02 0.00 0.00 41.12 41.13 1f9a n ASP 62 CO 0.00 0.00 0.00 1.88 -0.39 0.00 0.00 177.20 178.69 1f9a h TYR 63 N 0.15 0.00 -1.34 1.24 -1.99 -1.49 -3.47 116.97 110.07 1f9a h TYR 63 Ca 0.00 0.00 -0.10 0.00 2.00 0.00 0.00 58.73 60.63 1f9a h TYR 63 Cb 0.26 0.00 0.01 0.00 2.00 0.00 0.00 36.73 39.00 1f9a h TYR 63 CO 0.00 0.00 -0.14 -0.40 -0.00 0.00 0.00 178.16 177.62 1f9a n ASP 64 N -2.54 -2.56 -4.63 3.88 5.68 -1.26 -5.04 116.55 110.08 1f9a n ASP 64 Ca 0.03 -0.06 -0.30 0.00 -0.50 0.00 0.00 54.79 53.95 1f9a n ASP 64 Cb 0.50 -1.57 -0.09 0.00 -1.14 0.00 0.00 41.12 38.82 1f9a n ASP 64 CO 0.00 0.00 0.00 -0.22 -1.33 0.00 0.00 177.20 175.65 1f9a s LEU 65 N -1.90 3.25 -0.14 -2.12 2.96 -1.26 -5.12 118.68 114.35 1f9a s LEU 65 Ca 0.06 -0.25 -0.15 0.00 -0.22 0.00 0.00 54.13 53.57 1f9a s LEU 65 Cb -0.03 -1.99 -0.05 0.00 0.50 0.00 0.00 46.19 44.63 1f9a s LEU 65 CO 0.08 0.19 0.35 -0.89 -1.32 0.00 0.00 176.35 174.76 1f9a s THR 66 N -1.22 5.26 -0.00 3.68 2.01 -1.26 -5.03 115.64 119.08 1f9a s THR 66 Ca 0.23 0.67 -0.16 0.00 0.31 0.00 0.00 61.69 62.73 1f9a s THR 66 Cb -0.11 -3.68 0.03 0.00 0.01 0.00 0.00 72.50 68.74 1f9a s THR 66 CO 0.15 0.39 0.34 -0.72 -0.69 0.00 0.00 174.62 174.08 1f9a s TYR 67 N 0.38 -0.20 -0.29 4.92 -0.85 -1.26 -2.39 117.35 117.66 1f9a s TYR 67 Ca 0.19 0.25 0.01 0.00 -0.52 0.00 0.00 57.07 57.00 1f9a s TYR 67 Cb -0.14 0.12 0.08 0.00 0.38 0.00 0.00 41.96 42.41 1f9a s TYR 67 CO 0.06 -0.44 0.03 0.71 -1.52 0.00 0.00 175.55 174.40 1f9a s TYR 68 N -1.64 2.40 -0.49 -3.49 1.51 -0.46 -4.97 117.35 110.21 1f9a s TYR 68 Ca -0.11 -2.01 -0.29 0.00 -1.01 0.00 0.00 57.07 53.65 1f9a s TYR 68 Cb -0.04 -1.93 0.03 0.00 -0.11 0.00 0.00 41.96 39.91 1f9a s TYR 68 CO 0.03 -0.85 1.22 -1.25 -1.11 0.00 0.00 175.55 173.59 1f9a s PRO 69 N 1.38 3.63 -0.10 -1.71 0.04 -1.26 -1.27 135.00 135.71 1f9a s PRO 69 Ca 0.04 0.57 0.01 0.00 0.04 0.00 0.00 61.00 61.67 1f9a s PRO 69 Cb -0.18 -3.96 0.02 0.00 0.04 0.00 0.00 34.50 30.41 1f9a s PRO 69 CO -0.14 -1.51 -0.13 0.42 0.04 0.00 0.00 177.00 175.68 1f9a s ILE 70 N 4.83 1.36 0.07 0.56 1.01 0.60 -4.98 121.20 124.66 1f9a s ILE 70 Ca 0.50 -0.55 -0.31 0.00 0.00 0.00 0.00 60.65 60.29 1f9a s ILE 70 Cb -0.08 -1.26 -0.06 0.00 0.01 0.00 0.00 42.46 41.06 1f9a s ILE 70 CO 0.31 0.41 1.24 -2.16 0.00 0.00 0.00 174.94 174.74 1f9a s PRO 71 N 1.07 4.41 -0.22 2.79 0.04 -1.26 -0.53 135.00 141.28 1f9a s PRO 71 Ca -0.06 1.84 0.00 0.00 0.04 0.00 0.00 61.00 62.83 1f9a s PRO 71 Cb -0.15 -3.32 0.06 0.00 0.04 0.00 0.00 34.50 31.13 1f9a s PRO 71 CO -0.02 -0.30 -0.05 0.42 0.04 0.00 0.00 177.00 177.10 1f9a s ILE 72 N 1.06 1.40 0.77 0.56 1.01 -0.14 -4.82 121.20 121.03 1f9a s ILE 72 Ca 0.60 -1.11 -0.11 0.00 0.00 0.00 0.00 60.65 60.04 1f9a s ILE 72 Cb -0.31 -1.68 0.05 0.00 0.01 0.00 0.00 42.46 40.53 1f9a s ILE 72 CO 0.29 -0.09 1.09 -0.54 0.00 0.00 0.00 174.94 175.69 1f9a s LYS 73 N 1.46 2.29 -0.06 2.79 1.02 -1.26 -2.35 119.74 123.63 1f9a s LYS 73 Ca -0.05 1.11 -0.30 0.00 0.02 0.00 0.00 55.97 56.75 1f9a s LYS 73 Cb -0.18 -1.90 -0.02 0.00 -0.52 0.00 0.00 37.83 35.20 1f9a s LYS 73 CO -0.07 -1.60 1.06 -0.51 -0.92 0.00 0.00 175.35 173.32 1f9a s ASP 74 N -3.46 7.21 0.42 2.83 1.01 -1.26 -4.74 116.67 118.67 1f9a s ASP 74 Ca 0.61 1.66 0.07 0.00 0.71 0.00 0.00 52.55 55.60 1f9a s ASP 74 Cb -0.17 -2.56 -0.06 0.00 1.01 0.00 0.00 42.92 41.15 1f9a s ASP 74 CO 0.56 -0.45 0.11 0.27 0.21 0.00 0.00 175.17 175.87 1f9a s ILE 75 N 1.80 2.10 -0.71 0.77 -4.36 -1.26 -5.01 121.20 114.54 1f9a s ILE 75 Ca 0.52 -1.82 0.02 0.00 -0.26 0.00 0.00 60.65 59.11 1f9a s ILE 75 Cb -0.21 -2.92 0.36 0.00 1.25 0.00 0.00 42.46 40.94 1f9a s ILE 75 CO 0.22 0.00 1.44 -0.62 0.24 0.00 0.00 174.94 176.22 1f9a n GLU 76 N -1.16 3.68 -2.76 0.37 -0.58 -1.26 -4.88 120.64 114.05 1f9a n GLU 76 Ca -0.04 -4.41 -0.05 0.00 -0.42 0.00 0.00 57.16 52.24 1f9a n GLU 76 Cb 0.66 -2.30 0.02 0.00 -0.57 0.00 0.00 31.44 29.24 1f9a n GLU 76 CO 0.00 0.00 0.00 0.34 -0.48 0.00 0.00 177.13 176.99 1f9a n PHE 77 N -0.34 -3.69 0.19 -0.32 -0.00 -1.26 -5.04 117.46 107.00 1f9a n PHE 77 Ca 0.42 -1.48 0.04 0.00 -0.00 0.00 0.00 57.45 56.43 1f9a n PHE 77 Cb 0.40 1.50 0.40 0.00 -0.00 0.00 0.00 39.48 41.77 1f9a n PHE 77 CO 0.00 0.00 0.00 -0.91 -0.00 0.00 0.00 176.76 175.85 1f9a h ASN 78 N 4.75 0.00 0.55 -2.13 2.35 -2.00 -1.74 115.58 117.35 1f9a h ASN 78 Ca 0.01 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.76 1f9a h ASN 78 Cb 1.09 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.46 1f9a h ASN 78 CO 0.10 0.35 0.00 -1.28 -1.65 0.00 0.00 177.43 174.94 1f9a h SER 79 N 0.00 0.00 -0.02 5.81 0.87 -2.02 -2.12 113.55 116.08 1f9a h SER 79 Ca -0.00 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.56 1f9a h SER 79 Cb 0.66 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.62 1f9a h SER 79 CO 0.05 0.00 0.00 2.30 -0.53 0.00 0.00 176.83 178.65 1f9a n ILE 80 N -2.58 0.08 -0.23 2.23 -5.35 -0.68 -4.75 119.36 108.08 1f9a n ILE 80 Ca 0.00 -0.54 -0.07 0.00 -0.27 0.00 0.00 62.75 61.87 1f9a n ILE 80 Cb 0.19 1.04 0.03 0.00 -1.74 0.00 0.00 39.64 39.16 1f9a n ILE 80 CO 0.00 0.00 0.00 -0.25 -1.76 0.00 0.00 176.55 174.54 1f9a h TRP 81 N 0.82 1.02 -0.05 4.28 7.01 -1.07 -0.62 115.95 127.34 1f9a h TRP 81 Ca 0.00 -0.10 0.03 0.00 2.11 0.00 0.00 58.89 60.93 1f9a h TRP 81 Cb 0.21 -0.30 -0.04 0.00 -2.10 0.00 0.00 29.16 26.93 1f9a h TRP 81 CO 0.01 0.83 -0.17 0.28 -2.79 0.00 0.00 178.44 176.59 1f9a h VAL 82 N 0.91 0.57 -0.86 2.65 2.07 -1.86 0.03 116.25 119.77 1f9a h VAL 82 Ca 0.21 0.00 0.12 0.00 0.82 0.00 0.00 66.70 67.85 1f9a h VAL 82 Cb 0.28 0.57 -0.08 0.00 -1.52 0.00 0.00 31.29 30.54 1f9a h VAL 82 CO -0.01 0.00 0.48 0.28 0.02 0.00 0.00 177.57 178.34 1f9a h SER 83 N -0.26 0.64 0.04 0.57 0.02 -1.85 0.14 113.55 112.85 1f9a h SER 83 Ca 0.07 0.07 0.02 0.00 -0.84 0.00 0.00 61.79 61.11 1f9a h SER 83 Cb 0.36 -0.05 -0.03 0.00 0.14 0.00 0.00 62.40 62.81 1f9a h SER 83 CO -0.20 0.32 -0.20 0.22 -1.14 0.00 0.00 176.83 175.83 1f9a h TYR 84 N 0.74 -0.54 -0.61 3.45 3.20 -0.74 -0.68 116.97 121.79 1f9a h TYR 84 Ca 0.44 0.02 0.01 0.00 3.14 0.00 0.00 58.73 62.34 1f9a h TYR 84 Cb 0.52 0.23 -0.03 0.00 1.54 0.00 0.00 36.73 38.99 1f9a h TYR 84 CO -0.07 -0.29 0.41 0.28 -1.64 0.00 0.00 178.16 176.85 1f9a h VAL 85 N -0.35 1.14 0.00 1.81 2.07 -0.56 -2.32 116.25 118.04 1f9a h VAL 85 Ca 0.05 -0.28 -0.06 0.00 0.82 0.00 0.00 66.70 67.23 1f9a h VAL 85 Cb 0.40 0.27 -0.01 0.00 -1.52 0.00 0.00 31.29 30.43 1f9a h VAL 85 CO -0.16 0.15 -0.30 -0.33 0.02 0.00 0.00 177.57 176.95 1f9a h GLU 86 N 0.80 0.00 -0.12 1.57 5.08 -0.31 -2.48 114.58 119.13 1f9a h GLU 86 Ca 0.23 0.00 -0.13 0.00 -1.00 0.00 0.00 59.36 58.46 1f9a h GLU 86 Cb -0.05 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.19 1f9a h GLU 86 CO -0.05 0.30 -0.48 0.77 -1.00 0.00 0.00 179.01 178.54 1f9a h SER 87 N 0.00 0.33 0.10 1.42 0.02 -0.56 -3.10 113.55 111.76 1f9a h SER 87 Ca -0.00 -0.16 0.00 0.00 -0.84 0.00 0.00 61.79 60.79 1f9a h SER 87 Cb 0.72 -0.09 0.00 0.00 0.14 0.00 0.00 62.40 63.17 1f9a h SER 87 CO 0.04 0.76 -0.52 0.18 -1.14 0.00 0.00 176.83 176.15 1f9a n LEU 88 N -3.97 1.43 -4.20 5.07 4.77 -0.95 -5.00 117.00 114.14 1f9a n LEU 88 Ca -0.02 -0.51 -0.17 0.00 -0.03 0.00 0.00 56.01 55.29 1f9a n LEU 88 Cb 0.54 -0.06 -0.11 0.00 -2.33 0.00 0.00 43.42 41.46 1f9a n LEU 88 CO 0.43 0.28 -0.44 0.42 -1.33 0.00 0.00 177.39 176.76 1f9a s THR 89 N -2.63 1.14 1.02 -5.08 -4.23 -1.13 -5.02 115.64 99.71 1f9a s THR 89 Ca 0.17 -1.61 -0.17 0.00 -1.18 0.00 0.00 61.69 58.91 1f9a s THR 89 Cb 0.18 -1.38 0.02 0.00 1.34 0.00 0.00 72.50 72.67 1f9a s THR 89 CO 0.63 -0.44 -0.04 -2.65 -0.54 0.00 0.00 174.62 171.58 1f9a n PRO 90 N 0.68 -0.73 -2.07 3.99 -0.02 -1.26 -4.89 135.00 130.70 1f9a n PRO 90 Ca -0.17 -0.19 -0.42 0.00 -2.02 0.00 0.00 63.50 60.71 1f9a n PRO 90 Cb 0.57 -1.63 -0.03 0.00 -0.02 0.00 0.00 33.50 32.39 1f9a n PRO 90 CO 0.00 0.00 0.00 -2.14 1.98 0.00 0.00 175.50 175.34 1f9a s PRO 91 N -3.25 4.29 0.24 0.52 0.02 -1.26 -4.99 135.00 130.57 1f9a s PRO 91 Ca 0.53 2.21 0.05 0.00 0.02 0.00 0.00 61.00 63.81 1f9a s PRO 91 Cb -0.15 -3.17 -0.05 0.00 0.02 0.00 0.00 34.50 31.15 1f9a s PRO 91 CO 0.69 -0.44 -0.05 -0.59 -0.33 0.00 0.00 177.00 176.28 1f9a s PHE 92 N 0.58 1.72 -0.09 6.54 -0.12 -1.26 -4.75 117.98 120.60 1f9a s PHE 92 Ca 0.63 -0.78 0.03 0.00 -0.05 0.00 0.00 56.93 56.76 1f9a s PHE 92 Cb -0.40 -0.97 -0.08 0.00 -0.63 0.00 0.00 43.02 40.94 1f9a s PHE 92 CO 0.36 0.14 -0.04 -0.25 -0.05 0.00 0.00 175.22 175.38 1f9a n ASP 93 N -0.47 3.13 -4.05 1.98 8.00 0.78 -4.94 116.55 120.98 1f9a n ASP 93 Ca -0.06 -0.03 -0.22 0.00 0.71 0.00 0.00 54.79 55.19 1f9a n ASP 93 Cb 0.63 0.17 -0.15 0.00 -0.02 0.00 0.00 41.12 41.75 1f9a n ASP 93 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 1f9a s ILE 94 N -2.20 0.97 -0.15 0.53 1.01 -0.99 -4.27 121.20 116.10 1f9a s ILE 94 Ca -0.10 -0.48 -0.04 0.00 0.00 0.00 0.00 60.65 60.03 1f9a s ILE 94 Cb 0.03 -0.84 -0.03 0.00 0.01 0.00 0.00 42.46 41.63 1f9a s ILE 94 CO 0.27 0.29 -0.01 -0.69 0.00 0.00 0.00 174.94 174.80 1f9a s VAL 95 N 0.06 4.17 -0.39 2.92 1.01 0.12 -0.46 120.40 127.82 1f9a s VAL 95 Ca -0.02 -0.27 -0.13 0.00 0.00 0.00 0.00 61.98 61.56 1f9a s VAL 95 Cb -0.08 -2.83 0.02 0.00 0.00 0.00 0.00 36.38 33.49 1f9a s VAL 95 CO 0.01 0.50 0.26 -0.31 0.00 0.00 0.00 175.10 175.56 1f9a s TYR 96 N 0.15 3.24 -0.08 5.22 1.51 -0.27 -1.08 117.35 126.04 1f9a s TYR 96 Ca 0.00 -0.69 -0.23 0.00 -1.01 0.00 0.00 57.07 55.14 1f9a s TYR 96 Cb -0.13 -2.53 0.05 0.00 -0.11 0.00 0.00 41.96 39.24 1f9a s TYR 96 CO 0.02 -0.59 0.54 0.45 -1.11 0.00 0.00 175.55 174.85 1f9a s SER 97 N 1.64 -0.49 -0.13 2.29 0.15 -0.33 -4.58 113.70 112.25 1f9a s SER 97 Ca 0.04 0.61 0.15 0.00 0.70 0.00 0.00 55.95 57.46 1f9a s SER 97 Cb -0.19 0.61 0.40 0.00 -1.71 0.00 0.00 66.02 65.12 1f9a s SER 97 CO 0.09 -0.46 1.29 0.61 1.20 0.00 0.00 173.24 175.97 1f9a n GLY 98 N 1.45 4.01 3.71 9.45 0.00 -1.26 -4.15 105.19 118.40 1f9a n GLY 98 Ca -0.19 -0.90 -0.40 0.00 0.00 0.00 0.00 46.02 44.54 1f9a n GLY 98 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1f9a s ASN 99 N -1.98 7.01 0.20 1.61 2.47 -1.26 -4.95 114.94 118.04 1f9a s ASN 99 Ca 0.34 1.23 -0.06 0.00 0.42 0.00 0.00 52.86 54.78 1f9a s ASN 99 Cb 0.27 -2.43 0.14 0.00 -1.45 0.00 0.00 41.25 37.77 1f9a s ASN 99 CO 0.08 -0.18 1.61 -0.65 -3.72 0.00 0.00 177.10 174.24 1f9a h PRO 100 N 6.87 0.85 0.10 0.43 0.11 -1.98 -0.14 132.00 138.24 1f9a h PRO 100 Ca -0.39 -0.34 -0.00 0.00 0.11 0.00 0.00 66.00 65.37 1f9a h PRO 100 Cb 1.19 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 32.26 1f9a h PRO 100 CO 0.76 0.98 -0.05 1.25 -0.21 0.00 0.00 178.00 180.74 1f9a h LEU 101 N 0.74 -0.11 -0.62 2.35 5.85 -1.99 0.18 115.31 121.72 1f9a h LEU 101 Ca 0.10 -0.36 0.11 0.00 0.84 0.00 0.00 57.88 58.58 1f9a h LEU 101 Cb 0.74 0.03 -0.08 0.00 0.37 0.00 0.00 40.66 41.71 1f9a h LEU 101 CO 0.06 0.32 0.17 0.58 -0.34 0.00 0.00 178.44 179.23 1f9a h VAL 102 N -0.57 0.66 -0.30 1.05 2.07 -1.95 0.68 116.25 117.89 1f9a h VAL 102 Ca -0.01 -0.11 -0.00 0.00 0.82 0.00 0.00 66.70 67.40 1f9a h VAL 102 Cb 0.46 0.33 -0.01 0.00 -1.52 0.00 0.00 31.29 30.55 1f9a h VAL 102 CO 0.02 0.06 0.18 -0.09 0.02 0.00 0.00 177.57 177.76 1f9a h ARG 103 N 0.31 0.40 -0.52 1.57 2.43 -0.99 -2.08 114.38 115.50 1f9a h ARG 103 Ca 0.33 -0.03 -0.10 0.00 -0.81 0.00 0.00 59.98 59.37 1f9a h ARG 103 Cb 0.48 -0.09 -0.02 0.00 -0.42 0.00 0.00 29.97 29.92 1f9a h ARG 103 CO -0.39 0.30 -0.05 0.28 -1.51 0.00 0.00 179.97 178.61 1f9a h VAL 104 N 0.39 1.27 -0.22 0.20 2.07 -0.07 -2.29 116.25 117.59 1f9a h VAL 104 Ca 0.11 -1.17 -0.06 0.00 0.82 0.00 0.00 66.70 66.39 1f9a h VAL 104 Cb 0.00 0.97 -0.01 0.00 -1.52 0.00 0.00 31.29 30.74 1f9a h VAL 104 CO -0.02 0.41 -0.12 -0.07 0.02 0.00 0.00 177.57 177.80 1f9a h LEU 105 N 0.82 0.48 0.06 2.57 3.38 -0.75 -2.34 115.31 119.53 1f9a h LEU 105 Ca 0.14 -0.42 0.00 0.00 0.09 0.00 0.00 57.88 57.69 1f9a h LEU 105 Cb 0.59 -0.13 -0.00 0.00 0.09 0.00 0.00 40.66 41.21 1f9a h LEU 105 CO 0.04 0.79 -0.04 -0.26 0.09 0.00 0.00 178.44 179.05 1f9a h PHE 106 N 0.16 -0.11 -0.79 1.13 0.05 -1.42 -2.86 116.94 113.09 1f9a h PHE 106 Ca 0.05 -0.00 0.14 0.00 3.82 0.00 0.00 57.97 61.98 1f9a h PHE 106 Cb 0.62 0.04 -0.09 0.00 2.00 0.00 0.00 35.95 38.51 1f9a h PHE 106 CO 0.07 -0.07 0.37 0.93 -0.18 0.00 0.00 178.31 179.42 1f9a h GLU 107 N -0.11 0.52 -0.14 1.51 5.08 -1.46 -1.44 114.58 118.55 1f9a h GLU 107 Ca -0.00 -0.03 0.04 0.00 -1.00 0.00 0.00 59.36 58.37 1f9a h GLU 107 Cb 0.10 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 29.22 1f9a h GLU 107 CO -0.00 0.34 0.11 0.93 -1.00 0.00 0.00 179.01 179.39 1f9a h GLU 108 N 0.53 0.00 -0.09 2.33 5.08 -1.45 -2.25 114.58 118.74 1f9a h GLU 108 Ca 0.43 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.79 1f9a h GLU 108 Cb 0.63 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.88 1f9a h GLU 108 CO -0.38 0.00 0.00 0.54 -1.00 0.00 0.00 179.01 178.17 1f9a n ARG 109 N -4.22 1.66 -0.06 2.33 5.12 -0.62 -4.95 116.66 115.91 1f9a n ARG 109 Ca 0.00 -0.98 0.00 0.00 -1.93 0.00 0.00 57.85 54.95 1f9a n ARG 109 Cb 0.24 -1.43 0.00 0.00 -1.16 0.00 0.00 32.46 30.10 1f9a n ARG 109 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1f9a n GLY 110 N 1.14 0.82 3.89 -0.13 0.00 -0.84 -5.06 105.19 105.00 1f9a n GLY 110 Ca 0.18 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.91 1f9a n GLY 110 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1f9a s TYR 111 N -2.04 3.49 -0.21 1.61 1.51 -0.73 -4.98 117.35 116.00 1f9a s TYR 111 Ca 0.00 1.00 -0.18 0.00 -1.01 0.00 0.00 57.07 56.88 1f9a s TYR 111 Cb 0.00 -2.67 -0.03 0.00 -0.11 0.00 0.00 41.96 39.15 1f9a s TYR 111 CO 0.00 -0.68 0.51 -2.00 -1.11 0.00 0.00 175.55 172.27 1f9a s GLU 112 N -5.06 4.16 -0.14 -0.62 2.12 -1.26 -4.09 118.70 113.81 1f9a s GLU 112 Ca 0.53 0.38 -0.01 0.00 0.36 0.00 0.00 54.97 56.23 1f9a s GLU 112 Cb -0.11 -3.58 -0.02 0.00 0.26 0.00 0.00 34.13 30.69 1f9a s GLU 112 CO 0.50 -0.18 -0.11 0.08 -0.54 0.00 0.00 175.26 175.01 1f9a s VAL 113 N 1.76 3.23 0.04 3.70 1.01 -1.26 -0.70 120.40 128.18 1f9a s VAL 113 Ca 0.23 -0.59 0.08 0.00 0.00 0.00 0.00 61.98 61.70 1f9a s VAL 113 Cb -0.15 -2.38 -0.03 0.00 0.00 0.00 0.00 36.38 33.82 1f9a s VAL 113 CO 0.09 0.51 -0.24 -0.54 0.00 0.00 0.00 175.10 174.93 1f9a s LYS 114 N 0.45 1.63 0.09 2.72 1.02 -0.24 -4.95 119.74 120.45 1f9a s LYS 114 Ca -0.08 -1.01 -0.30 0.00 0.02 0.00 0.00 55.97 54.59 1f9a s LYS 114 Cb -0.15 -1.76 -0.06 0.00 -0.52 0.00 0.00 37.83 35.34 1f9a s LYS 114 CO 0.04 0.45 1.16 1.03 -0.92 0.00 0.00 175.35 177.12 1f9a s ARG 115 N -1.16 4.48 0.46 1.68 0.52 -1.26 -1.19 118.95 122.49 1f9a s ARG 115 Ca 0.10 1.74 -0.21 0.00 -0.52 0.00 0.00 55.73 56.84 1f9a s ARG 115 Cb -0.09 -3.33 -0.10 0.00 0.52 0.00 0.00 34.95 31.95 1f9a s ARG 115 CO 0.02 -0.15 1.00 -1.25 0.02 0.00 0.00 175.30 174.93 1f9a s PRO 116 N 0.62 4.01 0.33 3.54 0.04 -1.26 -4.93 135.00 137.35 1f9a s PRO 116 Ca 0.56 1.26 -0.28 0.00 0.04 0.00 0.00 61.00 62.57 1f9a s PRO 116 Cb -0.29 -2.16 -0.10 0.00 0.04 0.00 0.00 34.50 32.00 1f9a s PRO 116 CO 0.31 -0.24 1.17 -1.21 0.04 0.00 0.00 177.00 177.08 1f9a s GLU 117 N -3.17 4.41 0.07 4.56 2.02 -1.26 -4.96 118.70 120.37 1f9a s GLU 117 Ca 0.64 1.92 -0.19 0.00 0.02 0.00 0.00 54.97 57.36 1f9a s GLU 117 Cb -0.13 -3.02 -0.07 0.00 0.10 0.00 0.00 34.13 31.01 1f9a s GLU 117 CO 0.17 -0.04 0.57 -1.64 0.02 0.00 0.00 175.26 174.35 1f9a s MET 118 N -1.78 4.21 -0.17 1.61 -1.94 -1.26 -4.82 119.30 115.16 1f9a s MET 118 Ca 0.49 0.74 0.01 0.00 -1.71 0.00 0.00 55.69 55.22 1f9a s MET 118 Cb -0.34 -3.25 0.01 0.00 2.01 0.00 0.00 34.83 33.27 1f9a s MET 118 CO 0.44 0.62 -0.19 -0.06 -0.01 0.00 0.00 175.02 175.82 1f9a s PHE 119 N -1.04 2.76 -1.39 -0.03 0.40 -1.26 -4.86 117.98 112.56 1f9a s PHE 119 Ca 0.29 -1.42 -0.05 0.00 -0.60 0.00 0.00 56.93 55.15 1f9a s PHE 119 Cb -0.19 -1.90 0.03 0.00 0.51 0.00 0.00 43.02 41.47 1f9a s PHE 119 CO 0.19 -0.69 0.77 -1.71 0.70 0.00 0.00 175.22 174.49 1f9a n ASN 120 N 4.39 -2.34 0.31 1.36 5.15 -1.26 -4.62 115.26 118.26 1f9a n ASN 120 Ca -0.20 -0.82 0.19 0.00 -0.60 0.00 0.00 54.58 53.14 1f9a n ASN 120 Cb 0.51 -3.92 1.02 0.00 -0.53 0.00 0.00 39.78 36.86 1f9a n ASN 120 CO 0.00 0.00 0.00 0.03 1.40 0.00 0.00 177.26 178.69 1f9a h ARG 121 N -1.94 0.00 0.00 1.20 3.08 -1.89 0.20 114.38 115.02 1f9a h ARG 121 Ca -0.60 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.45 1f9a h ARG 121 Cb 1.37 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.42 1f9a h ARG 121 CO 0.61 0.02 0.00 1.57 -1.07 0.00 0.00 179.97 181.09 1f9a h LYS 122 N 0.00 0.00 0.00 0.04 2.10 -2.01 -3.32 116.57 113.37 1f9a h LYS 122 Ca -0.00 0.00 -0.08 0.00 -2.00 0.00 0.00 60.65 58.57 1f9a h LYS 122 Cb 0.09 0.00 -0.02 0.00 -0.90 0.00 0.00 32.23 31.41 1f9a h LYS 122 CO 0.00 0.00 -1.32 0.39 -2.00 0.00 0.00 179.45 176.52 1f9a n GLU 123 N -2.74 0.80 -2.69 0.07 1.02 -0.98 -4.83 120.64 111.29 1f9a n GLU 123 Ca 0.00 0.03 -0.43 0.00 -0.02 0.00 0.00 57.16 56.74 1f9a n GLU 123 Cb 0.23 -1.11 0.00 0.00 -0.02 0.00 0.00 31.44 30.54 1f9a n GLU 123 CO 0.00 0.00 0.00 0.66 1.18 0.00 0.00 177.13 178.97 1f9a n TYR 124 N -2.56 4.22 -3.69 -0.32 0.53 0.65 -4.61 117.16 111.38 1f9a n TYR 124 Ca -0.09 -3.13 -0.11 0.00 -1.02 0.00 0.00 57.90 53.55 1f9a n TYR 124 Cb 0.61 -2.14 -0.10 0.00 -1.03 0.00 0.00 39.34 36.69 1f9a n TYR 124 CO 0.00 0.00 0.00 -1.54 -1.02 0.00 0.00 176.86 174.30 1f9a s SER 125 N 2.22 -0.56 0.22 7.72 1.04 -1.26 -4.58 113.70 118.50 1f9a s SER 125 Ca 0.42 0.99 -0.07 0.00 0.48 0.00 0.00 55.95 57.77 1f9a s SER 125 Cb 0.02 0.91 0.31 0.00 0.10 0.00 0.00 66.02 67.36 1f9a s SER 125 CO 0.01 -0.19 1.80 1.23 0.98 0.00 0.00 173.24 177.07 1f9a h GLY 126 N 6.56 1.09 -0.18 7.32 0.00 -1.84 -0.57 103.07 115.46 1f9a h GLY 126 Ca -0.33 -0.26 0.11 0.00 0.00 0.00 0.00 47.33 46.84 1f9a h GLY 126 CO 0.25 0.12 -0.21 -0.84 0.00 0.00 0.00 176.54 175.87 1f9a h THR 127 N 0.70 0.35 0.00 4.70 2.02 -1.97 0.33 112.91 119.04 1f9a h THR 127 Ca 0.34 0.00 -0.12 0.00 0.77 0.00 0.00 66.41 67.40 1f9a h THR 127 Cb 0.29 0.35 -0.02 0.00 -1.74 0.00 0.00 68.15 67.03 1f9a h THR 127 CO -0.23 0.00 -0.58 -0.08 0.37 0.00 0.00 175.52 175.00 1f9a h GLU 128 N -0.08 0.00 -0.27 6.66 4.57 -1.78 -1.50 114.58 122.17 1f9a h GLU 128 Ca 0.25 0.00 -0.16 0.00 -1.18 0.00 0.00 59.36 58.27 1f9a h GLU 128 Cb 0.47 0.00 -0.00 0.00 -0.16 0.00 0.00 28.75 29.06 1f9a h GLU 128 CO -0.59 0.58 -0.46 0.82 -1.18 0.00 0.00 179.01 178.18 1f9a h ILE 129 N 0.00 1.29 -0.13 2.32 2.04 -0.30 -2.17 117.51 120.56 1f9a h ILE 129 Ca -0.01 -1.65 -0.12 0.00 1.00 0.00 0.00 64.86 64.08 1f9a h ILE 129 Cb 1.09 1.67 -0.01 0.00 -0.74 0.00 0.00 36.82 38.83 1f9a h ILE 129 CO 0.08 0.53 -0.46 0.03 0.00 0.00 0.00 178.15 178.33 1f9a h ARG 130 N 0.55 0.32 -0.73 2.37 3.08 -0.14 -1.44 114.38 118.39 1f9a h ARG 130 Ca 0.02 -0.17 -0.01 0.00 0.07 0.00 0.00 59.98 59.89 1f9a h ARG 130 Cb 1.06 0.01 -0.04 0.00 0.08 0.00 0.00 29.97 31.08 1f9a h ARG 130 CO 0.10 0.72 0.43 -0.09 -1.07 0.00 0.00 179.97 180.07 1f9a h ARG 131 N 0.26 1.00 -0.28 0.04 2.43 -1.11 -0.48 114.38 116.24 1f9a h ARG 131 Ca 0.02 -0.10 -0.14 0.00 -0.81 0.00 0.00 59.98 58.95 1f9a h ARG 131 Cb 0.92 -0.21 -0.01 0.00 -0.42 0.00 0.00 29.97 30.25 1f9a h ARG 131 CO 0.08 0.72 -0.38 0.00 -1.51 0.00 0.00 179.97 178.87 1f9a h ARG 132 N 1.00 0.64 -0.08 0.20 3.08 -1.17 0.61 114.38 118.66 1f9a h ARG 132 Ca 0.26 -0.32 0.01 0.00 0.07 0.00 0.00 59.98 60.00 1f9a h ARG 132 Cb -0.02 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.02 1f9a h ARG 132 CO -0.05 0.92 -0.00 0.52 -1.07 0.00 0.00 179.97 180.29 1f9a h MET 133 N 0.53 0.02 0.07 0.04 2.86 -0.85 0.99 114.93 118.59 1f9a h MET 133 Ca 0.05 -0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.69 1f9a h MET 133 Cb 0.90 -0.01 -0.01 0.00 0.06 0.00 0.00 31.60 32.55 1f9a h MET 133 CO 0.08 0.02 -0.06 -0.07 1.06 0.00 0.00 176.91 177.94 1f9a h LEU 134 N 0.02 -0.15 -2.12 1.22 3.38 -0.92 -3.31 115.31 113.43 1f9a h LEU 134 Ca 0.04 0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.02 1f9a h LEU 134 Cb 0.05 0.05 0.00 0.00 0.09 0.00 0.00 40.66 40.85 1f9a h LEU 134 CO -0.07 -0.09 0.00 0.59 0.09 0.00 0.00 178.44 178.96 1f9a n ASN 135 N -5.17 3.15 -0.19 -0.43 3.02 0.19 -4.95 115.26 110.90 1f9a n ASN 135 Ca -0.07 -2.16 -0.02 0.00 -0.03 0.00 0.00 54.58 52.30 1f9a n ASN 135 Cb 0.10 -0.42 -0.01 0.00 -0.61 0.00 0.00 39.78 38.84 1f9a n ASN 135 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1f9a n GLY 136 N 1.12 0.53 3.98 7.41 0.00 -0.61 -5.00 105.19 112.62 1f9a n GLY 136 Ca 0.18 -0.96 -0.20 0.00 0.00 0.00 0.00 46.02 45.04 1f9a n GLY 136 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1f9a s GLU 137 N -2.38 3.16 0.29 1.61 2.02 0.24 -5.02 118.70 118.61 1f9a s GLU 137 Ca 0.00 -0.89 -0.29 0.00 0.02 0.00 0.00 54.97 53.81 1f9a s GLU 137 Cb 0.00 -2.79 -0.09 0.00 0.10 0.00 0.00 34.13 31.35 1f9a s GLU 137 CO 0.00 0.06 1.07 0.15 0.02 0.00 0.00 175.26 176.56 1f9a s LYS 138 N -4.21 4.60 0.00 1.61 -0.14 -1.26 -4.43 119.74 115.91 1f9a s LYS 138 Ca 0.44 1.73 0.00 0.00 -1.36 0.00 0.00 55.97 56.78 1f9a s LYS 138 Cb -0.10 -3.11 0.00 0.00 -1.68 0.00 0.00 37.83 32.94 1f9a s LYS 138 CO 0.32 0.20 0.02 -2.67 -0.76 0.00 0.00 175.35 172.46 1f9a n TRP 139 N 1.05 0.00 0.01 3.18 4.27 -1.26 -4.89 117.44 119.80 1f9a n TRP 139 Ca -0.00 0.00 0.02 0.00 -3.89 0.00 0.00 57.50 53.63 1f9a n TRP 139 Cb 0.46 0.00 0.37 0.00 -1.36 0.00 0.00 31.31 30.78 1f9a n TRP 139 CO 0.00 0.00 0.00 0.93 -2.29 0.00 0.00 177.69 176.33 1f9a h GLU 140 N 0.00 0.51 0.00 -2.67 3.07 -1.94 0.19 114.58 113.75 1f9a h GLU 140 Ca 0.00 -0.06 0.00 0.00 -0.50 0.00 0.00 59.36 58.80 1f9a h GLU 140 Cb 0.05 -0.10 0.00 0.00 -0.84 0.00 0.00 28.75 27.86 1f9a h GLU 140 CO 0.00 0.43 0.00 -2.39 -1.40 0.00 0.00 179.01 175.65 1f9a n HIS 141 N -4.39 0.00 0.83 4.33 1.44 -1.26 -3.09 115.22 113.08 1f9a n HIS 141 Ca 0.02 0.00 0.12 0.00 -2.01 0.00 0.00 57.72 55.86 1f9a n HIS 141 Cb 0.14 -0.32 0.29 0.00 0.12 0.00 0.00 29.99 30.23 1f9a n HIS 141 CO 0.00 0.00 0.00 1.28 -2.81 0.00 0.00 176.34 174.81 1f9a n LEU 142 N -1.32 0.51 -4.50 2.39 4.77 0.68 -4.94 117.00 114.57 1f9a n LEU 142 Ca 0.11 0.20 -0.24 0.00 -0.03 0.00 0.00 56.01 56.05 1f9a n LEU 142 Cb 0.22 -0.27 -0.11 0.00 -2.33 0.00 0.00 43.42 40.94 1f9a n LEU 142 CO 0.21 0.02 -0.35 0.68 -1.33 0.00 0.00 177.39 176.62 1f9a s VAL 143 N -3.06 1.85 0.43 4.08 -7.23 -1.18 -1.67 120.40 113.62 1f9a s VAL 143 Ca 0.10 -2.12 -0.26 0.00 -1.81 0.00 0.00 61.98 57.90 1f9a s VAL 143 Cb 0.16 -2.65 -0.09 0.00 0.56 0.00 0.00 36.38 34.35 1f9a s VAL 143 CO 0.67 -0.18 1.38 -2.65 -0.31 0.00 0.00 175.10 174.01 1f9a n PRO 144 N -0.73 2.18 -0.31 4.82 -0.02 -1.26 -4.75 135.00 134.93 1f9a n PRO 144 Ca -0.05 0.77 0.22 0.00 -2.02 0.00 0.00 63.50 62.42 1f9a n PRO 144 Cb 0.64 -2.54 0.51 0.00 -0.02 0.00 0.00 33.50 32.09 1f9a n PRO 144 CO 0.00 0.00 0.00 0.87 1.98 0.00 0.00 175.50 178.35 1f9a h LYS 145 N 2.29 0.39 -0.81 -0.52 1.57 -1.99 -1.01 116.57 116.48 1f9a h LYS 145 Ca -0.50 -0.02 0.02 0.00 -1.87 0.00 0.00 60.65 58.28 1f9a h LYS 145 Cb 1.28 -0.09 -0.04 0.00 0.08 0.00 0.00 32.23 33.46 1f9a h LYS 145 CO 0.61 0.26 0.54 0.00 -0.57 0.00 0.00 179.45 180.28 1f9a h ALA 146 N 1.61 1.46 -0.34 3.86 0.00 -1.89 -0.86 119.26 123.11 1f9a h ALA 146 Ca 0.56 -0.05 -0.08 0.00 0.00 0.00 0.00 54.91 55.34 1f9a h ALA 146 Cb 1.43 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 18.90 1f9a h ALA 146 CO -0.26 0.48 -0.11 0.28 0.00 0.00 0.00 179.25 179.64 1f9a h VAL 147 N 1.05 1.28 -0.43 0.00 2.07 -1.47 -1.74 116.25 117.02 1f9a h VAL 147 Ca 0.31 -1.20 0.09 0.00 0.82 0.00 0.00 66.70 66.72 1f9a h VAL 147 Cb -0.05 1.36 -0.08 0.00 -1.52 0.00 0.00 31.29 30.99 1f9a h VAL 147 CO -0.08 0.39 -0.14 0.58 0.02 0.00 0.00 177.57 178.34 1f9a h VAL 148 N 0.45 0.51 -0.36 2.57 2.07 -1.10 -1.60 116.25 118.80 1f9a h VAL 148 Ca 0.08 0.00 0.08 0.00 0.82 0.00 0.00 66.70 67.68 1f9a h VAL 148 Cb 0.63 0.51 -0.08 0.00 -1.52 0.00 0.00 31.29 30.83 1f9a h VAL 148 CO 0.04 0.00 -0.24 0.44 0.02 0.00 0.00 177.57 177.83 1f9a h ASP 149 N -0.04 -0.81 -0.48 0.57 3.32 -1.00 -1.70 116.42 116.28 1f9a h ASP 149 Ca 0.21 0.16 -0.01 0.00 0.02 0.00 0.00 57.03 57.41 1f9a h ASP 149 Cb 0.36 0.40 -0.02 0.00 0.22 0.00 0.00 39.33 40.29 1f9a h ASP 149 CO -0.46 -0.27 0.25 0.58 -1.72 0.00 0.00 179.24 177.62 1f9a h VAL 150 N -0.19 1.17 -0.73 -1.35 2.07 -1.10 -1.59 116.25 114.53 1f9a h VAL 150 Ca 0.18 -0.46 0.02 0.00 0.82 0.00 0.00 66.70 67.25 1f9a h VAL 150 Cb 0.47 0.61 -0.04 0.00 -1.52 0.00 0.00 31.29 30.81 1f9a h VAL 150 CO -0.47 0.19 0.48 0.40 0.02 0.00 0.00 177.57 178.19 1f9a h ILE 151 N 0.63 1.16 0.78 4.57 2.04 -1.23 -0.96 117.51 124.50 1f9a h ILE 151 Ca 0.17 -0.32 -0.04 0.00 1.00 0.00 0.00 64.86 65.66 1f9a h ILE 151 Cb 0.07 0.13 0.01 0.00 -0.74 0.00 0.00 36.82 36.29 1f9a h ILE 151 CO -0.03 0.17 -0.37 0.50 0.00 0.00 0.00 178.15 178.42 1f9a h LYS 152 N 0.94 -1.01 -0.92 2.37 3.64 -0.99 -0.48 116.57 120.12 1f9a h LYS 152 Ca 0.28 0.07 0.15 0.00 -1.27 0.00 0.00 60.65 59.87 1f9a h LYS 152 Cb -0.05 0.23 -0.15 0.00 -0.41 0.00 0.00 32.23 31.85 1f9a h LYS 152 CO -0.07 -0.66 -0.34 -1.91 -2.27 0.00 0.00 179.45 174.21 1f9a n GLU 153 N -5.51 -0.19 -0.10 1.90 2.13 -0.62 -1.77 120.64 116.47 1f9a n GLU 153 Ca -0.14 1.42 0.11 0.00 0.66 0.00 0.00 57.16 59.21 1f9a n GLU 153 Cb 0.42 -2.11 0.31 0.00 0.27 0.00 0.00 31.44 30.34 1f9a n GLU 153 CO 0.00 0.00 0.00 0.44 -0.41 0.00 0.00 177.13 177.16 1f9a n ILE 154 N -5.38 0.26 -3.95 6.31 -5.35 -0.43 -4.94 119.36 105.88 1f9a n ILE 154 Ca 0.10 -0.47 -0.37 0.00 -0.27 0.00 0.00 62.75 61.74 1f9a n ILE 154 Cb 0.39 0.66 0.01 0.00 -1.74 0.00 0.00 39.64 38.96 1f9a n ILE 154 CO 0.00 0.00 0.00 0.29 -1.76 0.00 0.00 176.55 175.08 1f9a n LYS 155 N 0.75 -0.70 0.08 6.28 5.02 -0.73 -4.89 118.16 123.97 1f9a n LYS 155 Ca 0.17 0.28 -0.12 0.00 -2.02 0.00 0.00 58.31 56.62 1f9a n LYS 155 Cb 0.44 -2.18 -0.13 0.00 -0.02 0.00 0.00 35.03 33.14 1f9a n LYS 155 CO 0.00 0.00 0.00 0.78 -0.52 0.00 0.00 177.40 177.66 1f9a h GLY 156 N -1.56 0.17 0.94 0.72 0.00 -1.37 -2.19 103.07 99.78 1f9a h GLY 156 Ca -0.65 -0.43 -0.01 0.00 0.00 0.00 0.00 47.33 46.23 1f9a h GLY 156 CO 0.44 0.37 0.16 -2.08 0.00 0.00 0.00 176.54 175.43 1f9a h VAL 157 N 0.04 1.16 -0.82 4.60 2.07 -1.91 -1.59 116.25 119.80 1f9a h VAL 157 Ca -0.08 -0.47 0.03 0.00 0.82 0.00 0.00 66.70 67.00 1f9a h VAL 157 Cb 1.87 0.86 -0.05 0.00 -1.52 0.00 0.00 31.29 32.45 1f9a h VAL 157 CO 0.17 0.17 0.53 -0.33 0.02 0.00 0.00 177.57 178.13 1f9a h GLU 158 N 0.40 1.00 -0.02 1.57 5.08 -1.92 -1.54 114.58 119.15 1f9a h GLU 158 Ca 0.11 -0.06 0.02 0.00 -1.00 0.00 0.00 59.36 58.44 1f9a h GLU 158 Cb 0.13 -0.22 -0.02 0.00 0.50 0.00 0.00 28.75 29.13 1f9a h GLU 158 CO -0.01 0.66 -0.10 -0.09 -1.00 0.00 0.00 179.01 178.46 1f9a h ARG 159 N 1.03 -0.16 -0.17 2.33 2.43 -1.12 0.22 114.38 118.94 1f9a h ARG 159 Ca 0.33 0.01 0.03 0.00 -0.81 0.00 0.00 59.98 59.54 1f9a h ARG 159 Cb 0.00 0.04 -0.03 0.00 -0.42 0.00 0.00 29.97 29.56 1f9a h ARG 159 CO -0.11 -0.10 -0.03 1.25 -1.51 0.00 0.00 179.97 179.46 1f9a h LEU 160 N -0.16 -0.13 -1.15 3.80 5.85 -0.91 -1.72 115.31 120.89 1f9a h LEU 160 Ca 0.05 0.05 -0.02 0.00 0.84 0.00 0.00 57.88 58.79 1f9a h LEU 160 Cb 0.22 0.09 -0.03 0.00 0.37 0.00 0.00 40.66 41.32 1f9a h LEU 160 CO -0.12 -0.04 0.34 0.03 -0.34 0.00 0.00 178.44 178.30 1f9a h ARG 161 N 0.02 0.93 -0.29 1.25 3.08 -0.85 -1.80 114.38 116.71 1f9a h ARG 161 Ca 0.08 -0.11 -0.07 0.00 0.07 0.00 0.00 59.98 59.95 1f9a h ARG 161 Cb 0.12 -0.18 -0.02 0.00 0.08 0.00 0.00 29.97 29.97 1f9a h ARG 161 CO -0.16 0.70 -0.13 0.87 -1.07 0.00 0.00 179.97 180.17 1f9a h LYS 162 N 0.93 0.49 -0.06 0.04 1.57 -0.41 -2.60 116.57 116.53 1f9a h LYS 162 Ca 0.23 -0.14 -0.16 0.00 -1.87 0.00 0.00 60.65 58.70 1f9a h LYS 162 Cb 0.07 -0.05 -0.01 0.00 0.08 0.00 0.00 32.23 32.31 1f9a h LYS 162 CO -0.03 0.62 -0.68 -0.07 -0.57 0.00 0.00 179.45 178.72 1f9a h LEU 163 N 0.46 0.31 0.00 2.94 3.38 -0.96 -3.51 115.31 117.92 1f9a h LEU 163 Ca 0.08 -0.19 0.00 0.00 0.09 0.00 0.00 57.88 57.86 1f9a h LEU 163 Cb 0.50 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 41.16 1f9a h LEU 163 CO 0.03 0.90 0.00 0.00 0.09 0.00 0.00 178.44 179.46