#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2f9h s LYS 4 N 0.00 2.24 -0.28 -2.67 2.20 -1.26 -1.26 119.74 118.72 2f9h s LYS 4 Ca 0.00 -1.96 -0.23 0.00 -0.36 0.00 0.00 55.97 53.41 2f9h s LYS 4 Cb 0.00 -1.96 0.09 0.00 -1.51 0.00 0.00 37.83 34.45 2f9h s LYS 4 CO 0.00 -0.29 0.83 -1.14 -0.36 0.00 0.00 175.35 174.39 2f9h s GLN 6 N -4.01 0.69 0.27 4.03 0.74 -1.26 -4.94 119.66 115.18 2f9h s GLN 6 Ca 0.34 0.88 0.12 0.00 0.05 0.00 0.00 55.36 56.75 2f9h s GLN 6 Cb 0.02 0.31 -0.05 0.00 1.10 0.00 0.00 33.01 34.39 2f9h s GLN 6 CO 0.19 -0.09 -0.20 0.00 -0.55 0.00 0.00 175.29 174.64 2f9h s ALA 7 N 0.53 2.69 -0.03 1.58 0.00 -0.98 -4.41 121.76 121.14 2f9h s ALA 7 Ca -0.01 -1.85 0.02 0.00 0.00 0.00 0.00 51.96 50.13 2f9h s ALA 7 Cb -0.05 -0.25 0.01 0.00 0.00 0.00 0.00 23.12 22.82 2f9h s ALA 7 CO -0.05 0.28 -0.08 0.99 0.00 0.00 0.00 175.76 176.90 2f9h s THR 8 N -2.48 0.74 0.00 0.00 2.01 -0.30 -1.23 115.64 114.38 2f9h s THR 8 Ca 0.29 -0.32 -0.30 0.00 0.31 0.00 0.00 61.69 61.66 2f9h s THR 8 Cb -0.05 -0.67 -0.05 0.00 0.01 0.00 0.00 72.50 71.74 2f9h s THR 8 CO 0.14 0.24 1.24 -0.69 -0.69 0.00 0.00 174.62 174.86 2f9h s VAL 9 N 0.30 4.06 -0.17 3.82 1.01 0.14 -0.79 120.40 128.77 2f9h s VAL 9 Ca -0.05 1.44 0.11 0.00 0.00 0.00 0.00 61.98 63.49 2f9h s VAL 9 Cb -0.09 -3.93 -0.16 0.00 0.00 0.00 0.00 36.38 32.20 2f9h s VAL 9 CO 0.01 0.04 0.32 0.35 0.00 0.00 0.00 175.10 175.82 2f9h n THR 10 N 4.34 0.00 -3.54 3.92 -2.24 -0.18 -1.32 114.28 115.26 2f9h n THR 10 Ca 0.11 -0.26 -0.11 0.00 -2.27 0.00 0.00 64.05 61.52 2f9h n THR 10 Cb 0.46 0.46 -0.03 0.00 -2.10 0.00 0.00 70.33 69.12 2f9h n THR 10 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 2f9h s GLU 11 N -2.58 1.31 -0.20 -0.78 2.02 -1.23 -4.95 118.70 112.28 2f9h s GLU 11 Ca -0.02 -0.61 -0.04 0.00 0.02 0.00 0.00 54.97 54.33 2f9h s GLU 11 Cb 0.08 0.57 0.10 0.00 0.10 0.00 0.00 34.13 34.97 2f9h s GLU 11 CO 0.47 -0.57 0.23 0.42 0.02 0.00 0.00 175.26 175.84 2f9h s ILE 12 N -3.79 -0.34 0.67 -1.63 1.01 -1.26 -2.04 121.20 113.81 2f9h s ILE 12 Ca 0.03 -0.11 -0.17 0.00 0.00 0.00 0.00 60.65 60.41 2f9h s ILE 12 Cb -0.01 -0.68 0.00 0.00 0.01 0.00 0.00 42.46 41.78 2f9h s ILE 12 CO -0.10 -0.20 1.24 -0.83 0.00 0.00 0.00 174.94 175.06 2f9h s GLY 13 N 2.34 2.62 0.41 6.18 0.00 -0.53 -4.89 107.32 113.45 2f9h s GLY 13 Ca 0.07 1.03 0.28 0.00 0.00 0.00 0.00 44.72 46.10 2f9h s GLY 13 CO -0.12 1.44 1.85 0.07 0.00 0.00 0.00 173.10 176.34 2f9h h LYS 14 N 0.27 0.00 -0.03 2.90 2.10 -1.80 -1.29 116.57 118.73 2f9h h LYS 14 Ca -0.49 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.16 2f9h h LYS 14 Cb 1.31 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.64 2f9h h LYS 14 CO 0.52 0.00 0.00 0.72 -2.00 0.00 0.00 179.45 178.69 2f9h n HIS 15 N -2.49 0.06 -0.07 0.07 8.25 0.13 -4.76 115.22 116.41 2f9h n HIS 15 Ca -0.01 -0.74 -0.13 0.00 -0.26 0.00 0.00 57.72 56.57 2f9h n HIS 15 Cb 0.08 -0.11 -0.06 0.00 1.12 0.00 0.00 29.99 31.03 2f9h n HIS 15 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2f9h h ALA 16 N 0.16 0.32 -3.11 -1.41 0.00 -0.89 -3.43 119.26 110.89 2f9h h ALA 16 Ca 0.00 -0.38 -0.65 0.00 0.00 0.00 0.00 54.91 53.88 2f9h h ALA 16 Cb 0.77 -0.06 -0.35 0.00 0.00 0.00 0.00 17.79 18.15 2f9h h ALA 16 CO 0.01 0.30 -0.85 0.42 0.00 0.00 0.00 179.25 179.12 2f9h s ILE 17 N -4.25 1.90 -0.13 0.00 1.01 -1.26 -4.57 121.20 113.90 2f9h s ILE 17 Ca -0.13 -0.85 -0.04 0.00 0.00 0.00 0.00 60.65 59.63 2f9h s ILE 17 Cb 0.07 -1.73 0.05 0.00 0.01 0.00 0.00 42.46 40.86 2f9h s ILE 17 CO 0.80 0.52 0.07 -0.62 0.00 0.00 0.00 174.94 175.71 2f9h s ASP 18 N 1.23 2.00 0.27 3.58 -1.08 -1.26 -5.02 116.67 116.38 2f9h s ASP 18 Ca 0.02 -0.40 0.16 0.00 -0.52 0.00 0.00 52.55 51.81 2f9h s ASP 18 Cb -0.14 -0.25 0.89 0.00 -1.46 0.00 0.00 42.92 41.96 2f9h s ASP 18 CO -0.10 -0.31 1.47 -0.67 0.52 0.00 0.00 175.17 176.08 2f9h n ASP 19 N 5.26 0.42 0.08 -0.34 2.03 -1.26 -1.67 116.55 121.08 2f9h n ASP 19 Ca -0.06 0.67 0.13 0.00 0.52 0.00 0.00 54.79 56.05 2f9h n ASP 19 Cb 0.49 -0.70 0.37 0.00 -0.72 0.00 0.00 41.12 40.56 2f9h n ASP 19 CO 0.00 0.00 0.00 -1.54 -1.92 0.00 0.00 177.20 173.74 2f9h n SER 20 N -2.08 0.71 -3.85 1.67 3.41 -1.26 -4.39 113.62 107.82 2f9h n SER 20 Ca -0.01 0.45 -0.30 0.00 -0.26 0.00 0.00 58.87 58.75 2f9h n SER 20 Cb 0.10 -0.54 -0.15 0.00 -0.26 0.00 0.00 64.21 63.36 2f9h n SER 20 CO 0.00 0.00 0.00 -1.83 -0.16 0.00 0.00 175.04 173.05 2f9h s GLU 21 N -3.10 1.15 -0.67 4.33 -1.05 -0.67 -5.27 118.70 113.41 2f9h s GLU 21 Ca 0.10 -1.58 -0.26 0.00 -0.15 0.00 0.00 54.97 53.08 2f9h s GLU 21 Cb 0.13 -2.58 -0.08 0.00 -0.44 0.00 0.00 34.13 31.16 2f9h s GLU 21 CO 0.62 -1.00 2.26 0.15 0.95 0.00 0.00 175.26 178.24 2f9h s LYS 22 N 1.08 2.07 -0.30 -4.83 -0.14 -1.26 -4.66 119.74 111.69 2f9h s LYS 22 Ca 0.12 0.71 -0.16 0.00 -1.36 0.00 0.00 55.97 55.28 2f9h s LYS 22 Cb -0.19 -4.70 0.18 0.00 -1.68 0.00 0.00 37.83 31.44 2f9h s LYS 22 CO -0.14 -3.63 1.12 0.42 -0.76 0.00 0.00 175.35 172.36 2f9h s ILE 24 N 12.34 -0.28 -0.15 2.17 1.01 0.28 -1.56 121.20 135.02 2f9h s ILE 24 Ca 0.87 0.00 -0.27 0.00 0.00 0.00 0.00 60.65 61.25 2f9h s ILE 24 Cb -0.13 -1.00 -0.01 0.00 0.01 0.00 0.00 42.46 41.32 2f9h s ILE 24 CO 0.15 0.00 0.90 -0.63 0.00 0.00 0.00 174.94 175.36 2f9h s ILE 25 N 2.50 4.84 0.08 2.92 1.01 -1.26 -0.84 121.20 130.45 2f9h s ILE 25 Ca -0.02 1.80 0.02 0.00 0.00 0.00 0.00 60.65 62.45 2f9h s ILE 25 Cb -0.06 -4.21 -0.04 0.00 0.01 0.00 0.00 42.46 38.16 2f9h s ILE 25 CO -0.14 0.01 0.16 -0.76 0.00 0.00 0.00 174.94 174.21 2f9h s LEU 26 N 2.13 4.12 -0.00 2.97 1.43 0.25 -1.02 118.68 128.57 2f9h s LEU 26 Ca 0.42 0.14 -0.22 0.00 -1.03 0.00 0.00 54.13 53.44 2f9h s LEU 26 Cb -0.17 -2.75 0.05 0.00 0.03 0.00 0.00 46.19 43.34 2f9h s LEU 26 CO 0.14 0.16 0.48 0.12 0.23 0.00 0.00 176.35 177.48 2f9h s PHE 27 N -1.50 -0.39 0.04 0.29 5.36 -0.84 -1.79 117.98 119.16 2f9h s PHE 27 Ca 0.33 0.56 -0.00 0.00 -0.96 0.00 0.00 56.93 56.85 2f9h s PHE 27 Cb -0.12 0.26 0.01 0.00 -0.34 0.00 0.00 43.02 42.83 2f9h s PHE 27 CO 0.26 -0.54 0.06 0.41 -1.46 0.00 0.00 175.22 173.94 2f9h n GLY 28 N 0.85 -0.24 0.09 13.12 0.00 0.64 -0.62 105.19 119.03 2f9h n GLY 28 Ca -0.20 -1.81 0.09 0.00 0.00 0.00 0.00 46.02 44.11 2f9h n GLY 28 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 2f9h n GLU 29 N -1.11 0.11 -0.06 1.61 2.13 -1.25 -2.99 120.64 119.08 2f9h n GLU 29 Ca 0.01 0.44 0.08 0.00 0.66 0.00 0.00 57.16 58.35 2f9h n GLU 29 Cb 0.03 -1.75 0.37 0.00 0.27 0.00 0.00 31.44 30.36 2f9h n GLU 29 CO 0.00 0.00 0.00 0.25 -0.41 0.00 0.00 177.13 176.97 2f9h n THR 30 N -1.97 0.15 -2.33 6.31 -2.24 -1.26 -4.89 114.28 108.05 2f9h n THR 30 Ca 0.01 -0.20 -0.38 0.00 -2.27 0.00 0.00 64.05 61.21 2f9h n THR 30 Cb 0.14 0.08 -0.02 0.00 -2.10 0.00 0.00 70.33 68.43 2f9h n THR 30 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2f9h s ALA 31 N -1.85 3.17 0.43 6.98 0.00 -1.16 -5.04 121.76 124.28 2f9h s ALA 31 Ca 0.26 0.94 0.05 0.00 0.00 0.00 0.00 51.96 53.21 2f9h s ALA 31 Cb 0.13 -3.37 0.01 0.00 0.00 0.00 0.00 23.12 19.89 2f9h s ALA 31 CO 0.21 -0.48 0.61 0.95 0.00 0.00 0.00 175.76 177.05 2f9h s THR 32 N -1.42 3.37 0.25 0.00 -4.23 -1.26 -4.89 115.64 107.46 2f9h s THR 32 Ca 0.56 -0.84 -0.03 0.00 -1.18 0.00 0.00 61.69 60.21 2f9h s THR 32 Cb -0.30 -3.19 0.23 0.00 1.34 0.00 0.00 72.50 70.59 2f9h s THR 32 CO 0.38 -0.10 1.72 0.44 -0.54 0.00 0.00 174.62 176.52 2f9h h ASP 33 N 0.53 0.28 -0.04 3.99 3.32 -1.99 -0.94 116.42 121.57 2f9h h ASP 33 Ca -0.43 0.12 0.01 0.00 0.02 0.00 0.00 57.03 56.75 2f9h h ASP 33 Cb 1.27 0.10 -0.00 0.00 0.22 0.00 0.00 39.33 40.92 2f9h h ASP 33 CO 0.51 0.08 0.03 0.74 -1.72 0.00 0.00 179.24 178.88 2f9h h THR 34 N 0.43 0.84 0.00 0.35 2.02 -2.03 -2.08 112.91 112.44 2f9h h THR 34 Ca 0.44 0.00 -0.17 0.00 0.77 0.00 0.00 66.41 67.46 2f9h h THR 34 Cb 0.71 0.98 -0.03 0.00 -1.74 0.00 0.00 68.15 68.07 2f9h h THR 34 CO -0.44 0.00 -1.63 0.18 0.37 0.00 0.00 175.52 174.01 2f9h n LEU 35 N -4.32 0.60 -0.02 2.58 4.77 -0.53 -4.27 117.00 115.81 2f9h n LEU 35 Ca -0.02 0.26 -0.02 0.00 -0.03 0.00 0.00 56.01 56.21 2f9h n LEU 35 Cb 0.13 0.12 0.25 0.00 -2.33 0.00 0.00 43.42 41.59 2f9h n LEU 35 CO 0.32 0.16 0.88 0.11 -1.33 0.00 0.00 177.39 177.53 2f9h h LYS 36 N 0.00 0.56 -0.13 3.23 1.57 -0.50 -2.59 116.57 118.71 2f9h h LYS 36 Ca -0.19 -0.15 0.04 0.00 -1.87 0.00 0.00 60.65 58.48 2f9h h LYS 36 Cb 1.57 -0.07 -0.01 0.00 0.08 0.00 0.00 32.23 33.81 2f9h h LYS 36 CO 0.03 0.63 0.21 -0.56 -0.57 0.00 0.00 179.45 179.19 2f9h h GLN 37 N 0.52 0.00 -0.02 3.15 3.07 -1.70 -2.01 115.11 118.12 2f9h h GLN 37 Ca 0.10 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.84 2f9h h GLN 37 Cb 0.43 0.00 0.00 0.00 0.08 0.00 0.00 27.48 27.99 2f9h h GLN 37 CO 0.02 0.00 -0.30 0.72 0.09 0.00 0.00 178.83 179.36 2f9h n HIS 38 N -3.53 0.00 -4.22 0.06 8.25 -0.98 0.21 115.22 115.01 2f9h n HIS 38 Ca 0.01 0.00 -0.13 0.00 -0.26 0.00 0.00 57.72 57.34 2f9h n HIS 38 Cb 0.31 0.00 -0.10 0.00 1.12 0.00 0.00 29.99 31.32 2f9h n HIS 38 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2f9h s ALA 39 N -2.25 1.25 -0.31 -1.41 0.00 -0.76 -4.25 121.76 114.03 2f9h s ALA 39 Ca 0.21 -1.67 -0.15 0.00 0.00 0.00 0.00 51.96 50.34 2f9h s ALA 39 Cb 0.18 1.10 -0.02 0.00 0.00 0.00 0.00 23.12 24.38 2f9h s ALA 39 CO 0.46 -0.51 0.38 0.08 0.00 0.00 0.00 175.76 176.18 2f9h s VAL 40 N -3.99 5.15 -0.09 0.00 1.01 -0.19 -1.45 120.40 120.85 2f9h s VAL 40 Ca 0.34 0.29 -0.23 0.00 0.00 0.00 0.00 61.98 62.37 2f9h s VAL 40 Cb 0.07 -3.79 -0.03 0.00 0.00 0.00 0.00 36.38 32.63 2f9h s VAL 40 CO 0.09 -0.01 0.70 -0.63 0.00 0.00 0.00 175.10 175.26 2f9h s ILE 41 N 2.08 5.03 0.03 2.22 -1.09 -0.87 -1.98 121.20 126.63 2f9h s ILE 41 Ca 0.14 1.43 0.08 0.00 -2.23 0.00 0.00 60.65 60.06 2f9h s ILE 41 Cb -0.16 -4.04 -0.03 0.00 -1.58 0.00 0.00 42.46 36.66 2f9h s ILE 41 CO 0.11 0.21 -0.24 0.00 -1.23 0.00 0.00 174.94 173.80 2f9h s GLN 42 N 1.07 1.65 -0.45 2.79 -2.07 0.21 -1.01 119.66 121.84 2f9h s GLN 42 Ca 0.36 -1.00 -0.16 0.00 -1.82 0.00 0.00 55.36 52.75 2f9h s GLN 42 Cb -0.17 -1.76 0.05 0.00 -1.09 0.00 0.00 33.01 30.04 2f9h s GLN 42 CO 0.16 0.46 0.38 0.45 -1.32 0.00 0.00 175.29 175.42 2f9h s SER 43 N -1.10 6.14 -0.58 12.60 0.15 0.03 -3.91 113.70 127.03 2f9h s SER 43 Ca 0.10 -1.15 0.04 0.00 0.70 0.00 0.00 55.95 55.63 2f9h s SER 43 Cb -0.09 -2.18 0.14 0.00 -1.71 0.00 0.00 66.02 62.18 2f9h s SER 43 CO 0.01 -0.59 0.34 0.12 1.20 0.00 0.00 173.24 174.32 2f9h s PHE 44 N 1.72 3.32 0.51 3.44 5.99 -1.26 -1.15 117.98 130.54 2f9h s PHE 44 Ca 0.05 -3.20 0.24 0.00 0.00 0.00 0.00 56.93 54.01 2f9h s PHE 44 Cb -0.22 -2.81 1.34 0.00 0.00 0.00 0.00 43.02 41.33 2f9h s PHE 44 CO 0.08 -0.69 1.99 -1.35 -0.00 0.00 0.00 175.22 175.25 2f9h h PRO 45 N 6.19 0.06 -0.30 10.12 0.11 -1.95 -2.84 132.00 143.40 2f9h h PRO 45 Ca -0.01 -0.00 -0.12 0.00 0.11 0.00 0.00 66.00 65.98 2f9h h PRO 45 Cb 0.85 -0.01 -0.07 0.00 0.11 0.00 0.00 31.00 31.88 2f9h h PRO 45 CO 0.70 0.04 -0.06 0.39 -0.21 0.00 0.00 178.00 178.86 2f9h n GLU 46 N -4.39 2.08 -0.15 1.05 1.02 -1.26 -4.72 120.64 114.26 2f9h n GLU 46 Ca 0.10 -3.06 0.18 0.00 -0.02 0.00 0.00 57.16 54.37 2f9h n GLU 46 Cb 0.59 -1.80 0.56 0.00 -0.02 0.00 0.00 31.44 30.77 2f9h n GLU 46 CO 0.00 0.00 0.00 1.57 1.18 0.00 0.00 177.13 179.88 2f9h h LYS 47 N 1.14 0.29 0.00 3.49 2.10 -1.83 0.86 116.57 122.62 2f9h h LYS 47 Ca 0.14 -0.02 0.00 0.00 -2.00 0.00 0.00 60.65 58.78 2f9h h LYS 47 Cb 1.55 -0.07 0.00 0.00 -0.90 0.00 0.00 32.23 32.81 2f9h h LYS 47 CO 0.31 0.19 0.00 0.38 -2.00 0.00 0.00 179.45 178.33 2f9h h ASP 48 N 0.30 0.00 0.18 7.07 2.03 -1.85 -2.37 116.42 121.79 2f9h h ASP 48 Ca 0.38 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.68 2f9h h ASP 48 Cb 1.03 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.53 2f9h h ASP 48 CO -0.10 0.00 -1.10 0.00 -1.03 0.00 0.00 179.24 177.01 2f9h n GLN 49 N -3.02 0.18 -2.30 4.15 1.13 0.29 -4.97 117.38 112.85 2f9h n GLN 49 Ca -0.03 -0.03 -0.42 0.00 -1.94 0.00 0.00 57.00 54.58 2f9h n GLN 49 Cb 0.09 -1.53 -0.03 0.00 0.11 0.00 0.00 30.24 28.88 2f9h n GLN 49 CO 0.00 0.00 0.00 0.54 -1.44 0.00 0.00 177.06 176.16 2f9h s VAL 50 N -3.13 3.96 -0.26 5.09 0.11 -0.89 -5.01 120.40 120.27 2f9h s VAL 50 Ca 0.05 1.27 -0.03 0.00 -2.93 0.00 0.00 61.98 60.33 2f9h s VAL 50 Cb 0.15 -3.82 0.09 0.00 -1.53 0.00 0.00 36.38 31.28 2f9h s VAL 50 CO 0.84 -0.05 0.10 -0.89 -3.33 0.00 0.00 175.10 171.77 2f9h s THR 51 N 2.90 0.23 0.23 5.04 2.01 -1.26 -4.75 115.64 120.03 2f9h s THR 51 Ca 0.61 -0.80 -0.09 0.00 0.31 0.00 0.00 61.69 61.72 2f9h s THR 51 Cb -0.28 -1.09 -0.07 0.00 0.01 0.00 0.00 72.50 71.08 2f9h s THR 51 CO 0.23 -0.58 0.55 -0.76 -0.69 0.00 0.00 174.62 173.36 2f9h s LEU 52 N 1.96 4.16 0.15 4.42 1.43 -1.26 -4.91 118.68 124.64 2f9h s LEU 52 Ca 0.07 0.91 -0.11 0.00 -1.03 0.00 0.00 54.13 53.97 2f9h s LEU 52 Cb -0.16 -3.68 0.00 0.00 0.03 0.00 0.00 46.19 42.38 2f9h s LEU 52 CO -0.26 -0.08 0.33 0.00 0.23 0.00 0.00 176.35 176.56 2f9h s ALA 53 N -1.83 -0.32 0.36 4.21 0.00 -1.26 -4.96 121.76 117.96 2f9h s ALA 53 Ca 0.47 -0.62 -0.28 0.00 0.00 0.00 0.00 51.96 51.54 2f9h s ALA 53 Cb -0.11 0.77 -0.12 0.00 0.00 0.00 0.00 23.12 23.66 2f9h s ALA 53 CO 0.21 -0.65 1.31 0.39 0.00 0.00 0.00 175.76 177.02 2f9h n GLU 54 N -0.21 2.16 0.00 0.00 1.02 -1.26 -1.76 120.64 120.59 2f9h n GLU 54 Ca -0.10 0.76 0.00 0.00 -0.02 0.00 0.00 57.16 57.80 2f9h n GLU 54 Cb 0.63 -2.37 0.00 0.00 -0.02 0.00 0.00 31.44 29.68 2f9h n GLU 54 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2f9h n GLY 55 N 0.74 2.97 3.66 0.62 0.00 -0.39 -5.00 105.19 107.80 2f9h n GLY 55 Ca 0.05 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.78 2f9h n GLY 55 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2f9h s ASP 56 N 0.79 2.60 0.30 1.61 1.01 -0.72 -4.67 116.67 117.59 2f9h s ASP 56 Ca 0.00 1.29 0.06 0.00 0.71 0.00 0.00 52.55 54.61 2f9h s ASP 56 Cb 0.00 -1.97 -0.06 0.00 1.01 0.00 0.00 42.92 41.90 2f9h s ASP 56 CO 0.00 -3.16 -0.03 -1.00 0.21 0.00 0.00 175.17 171.19 2f9h s HIS 57 N -2.90 2.00 -0.07 4.23 3.76 -0.89 -0.02 115.29 121.40 2f9h s HIS 57 Ca 0.65 -0.74 -0.02 0.00 -0.15 0.00 0.00 55.06 54.81 2f9h s HIS 57 Cb -0.19 -1.19 0.03 0.00 1.11 0.00 0.00 32.58 32.33 2f9h s HIS 57 CO 0.58 0.25 0.02 -0.51 -0.85 0.00 0.00 174.74 174.24 2f9h s LEU 58 N -3.47 0.47 -0.39 0.89 1.43 0.32 -1.81 118.68 116.12 2f9h s LEU 58 Ca 0.31 -0.07 -0.13 0.00 -1.03 0.00 0.00 54.13 53.22 2f9h s LEU 58 Cb 0.05 -0.36 0.02 0.00 0.03 0.00 0.00 46.19 45.94 2f9h s LEU 58 CO 0.13 -0.22 0.24 -0.75 0.23 0.00 0.00 176.35 175.99 2f9h s LYS 59 N 2.03 2.89 -0.39 1.70 2.20 -0.19 -0.30 119.74 127.68 2f9h s LYS 59 Ca 0.05 -1.05 -0.09 0.00 -0.36 0.00 0.00 55.97 54.51 2f9h s LYS 59 Cb -0.12 -3.83 0.05 0.00 -1.51 0.00 0.00 37.83 32.42 2f9h s LYS 59 CO -0.05 -0.72 0.21 0.42 -0.36 0.00 0.00 175.35 174.85 2f9h s ILE 60 N 1.61 4.26 0.00 5.43 1.01 -0.02 -0.75 121.20 132.74 2f9h s ILE 60 Ca 0.03 -1.16 0.00 0.00 0.00 0.00 0.00 60.65 59.52 2f9h s ILE 60 Cb -0.19 -3.49 0.00 0.00 0.01 0.00 0.00 42.46 38.79 2f9h s ILE 60 CO 0.08 -0.35 0.00 0.61 0.00 0.00 0.00 174.94 175.28 2f9h n GLY 61 N 4.92 3.38 1.23 6.18 0.00 -0.87 -1.60 105.19 118.44 2f9h n GLY 61 Ca -0.11 -0.14 -0.04 0.00 0.00 0.00 0.00 46.02 45.73 2f9h n GLY 61 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2f9h n ASP 62 N 3.84 3.00 -3.73 1.61 3.85 -1.26 -4.83 116.55 119.02 2f9h n ASP 62 Ca 0.00 -2.46 -0.16 0.00 -0.71 0.00 0.00 54.79 51.46 2f9h n ASP 62 Cb 0.00 -0.60 -0.16 0.00 -1.35 0.00 0.00 41.12 39.01 2f9h n ASP 62 CO 0.00 0.00 0.00 -0.89 -1.01 0.00 0.00 177.20 175.30 2f9h s THR 63 N -1.36 -0.08 -0.15 2.12 2.01 -0.63 -5.07 115.64 112.47 2f9h s THR 63 Ca 0.20 0.28 -0.13 0.00 0.31 0.00 0.00 61.69 62.34 2f9h s THR 63 Cb 0.16 -0.13 -0.05 0.00 0.01 0.00 0.00 72.50 72.49 2f9h s THR 63 CO 0.05 0.12 0.28 0.21 -0.69 0.00 0.00 174.62 174.58 2f9h s ASN 64 N 1.45 6.44 0.06 3.53 3.84 -1.26 -0.84 114.94 128.15 2f9h s ASN 64 Ca -0.05 0.51 0.09 0.00 0.21 0.00 0.00 52.86 53.62 2f9h s ASN 64 Cb -0.13 -2.17 -0.03 0.00 -0.55 0.00 0.00 41.25 38.37 2f9h s ASN 64 CO -0.04 0.13 -0.25 -0.31 -2.79 0.00 0.00 177.10 173.85 2f9h s TYR 65 N 0.30 2.17 -0.11 0.43 2.02 0.59 -4.58 117.35 118.16 2f9h s TYR 65 Ca 0.16 -0.40 -0.06 0.00 -0.37 0.00 0.00 57.07 56.41 2f9h s TYR 65 Cb -0.13 -1.27 -0.04 0.00 -0.40 0.00 0.00 41.96 40.12 2f9h s TYR 65 CO 0.04 0.15 0.10 0.99 -1.57 0.00 0.00 175.55 175.26 2f9h s THR 66 N -0.85 5.19 -0.20 -0.71 2.01 -0.16 -0.52 115.64 120.40 2f9h s THR 66 Ca 0.11 0.09 -0.27 0.00 0.31 0.00 0.00 61.69 61.92 2f9h s THR 66 Cb -0.10 -3.24 -0.00 0.00 0.01 0.00 0.00 72.50 69.17 2f9h s THR 66 CO 0.03 0.62 0.94 -0.63 -0.69 0.00 0.00 174.62 174.88 2f9h s ILE 67 N -0.99 4.78 -0.90 1.82 1.01 0.97 -2.24 121.20 125.65 2f9h s ILE 67 Ca 0.15 1.84 0.19 0.00 0.00 0.00 0.00 60.65 62.82 2f9h s ILE 67 Cb -0.12 -4.23 -0.20 0.00 0.01 0.00 0.00 42.46 37.92 2f9h s ILE 67 CO 0.04 -0.07 0.80 0.35 0.00 0.00 0.00 174.94 176.05 2f9h n THR 68 N 5.03 0.00 -3.64 2.92 -2.24 0.50 -1.26 114.28 115.59 2f9h n THR 68 Ca 0.08 -0.06 -0.05 0.00 -2.27 0.00 0.00 64.05 61.75 2f9h n THR 68 Cb 0.47 1.00 -0.07 0.00 -2.10 0.00 0.00 70.33 69.64 2f9h n THR 68 CO 0.00 0.00 0.00 -0.75 -0.57 0.00 0.00 175.07 173.75 2f9h s LYS 69 N -2.77 0.28 -0.10 -0.78 2.47 -1.24 -4.93 119.74 112.67 2f9h s LYS 69 Ca 0.07 0.36 0.02 0.00 -1.56 0.00 0.00 55.97 54.86 2f9h s LYS 69 Cb 0.14 0.12 0.01 0.00 -1.46 0.00 0.00 37.83 36.65 2f9h s LYS 69 CO 0.77 -0.04 -0.15 0.08 0.16 0.00 0.00 175.35 176.17 2f9h s VAL 70 N 0.37 1.47 0.70 4.02 1.01 -1.26 -0.60 120.40 126.10 2f9h s VAL 70 Ca 0.02 -0.63 -0.15 0.00 0.00 0.00 0.00 61.98 61.22 2f9h s VAL 70 Cb -0.05 -1.34 0.02 0.00 0.00 0.00 0.00 36.38 35.01 2f9h s VAL 70 CO -0.11 0.43 1.18 -0.83 0.00 0.00 0.00 175.10 175.77 2f9h s GLY 71 N 0.96 2.34 0.04 4.51 0.00 0.16 -4.89 107.32 110.44 2f9h s GLY 71 Ca -0.07 0.80 0.06 0.00 0.00 0.00 0.00 44.72 45.51 2f9h s GLY 71 CO -0.01 1.19 1.18 -1.14 0.00 0.00 0.00 173.10 174.32 2f9h n SER 72 N -2.51 0.08 0.00 1.64 3.41 -1.15 -2.07 113.62 113.02 2f9h n SER 72 Ca 0.13 0.53 0.00 0.00 -0.26 0.00 0.00 58.87 59.27 2f9h n SER 72 Cb 0.51 -0.54 0.00 0.00 -0.26 0.00 0.00 64.21 63.91 2f9h n SER 72 CO 0.00 0.00 0.00 0.49 -0.16 0.00 0.00 175.04 175.37 2f9h n PHE 73 N -1.60 0.00 -0.06 7.33 3.72 0.37 -4.76 117.46 122.46 2f9h n PHE 73 Ca 0.01 -0.35 -0.11 0.00 -0.05 0.00 0.00 57.45 56.95 2f9h n PHE 73 Cb 0.04 -0.03 -0.05 0.00 -0.94 0.00 0.00 39.48 38.50 2f9h n PHE 73 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 2f9h h ALA 74 N 0.00 0.27 -0.58 4.37 0.00 -0.80 -1.56 119.26 120.95 2f9h h ALA 74 Ca 0.00 -0.15 -0.03 0.00 0.00 0.00 0.00 54.91 54.73 2f9h h ALA 74 Cb 0.39 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 18.08 2f9h h ALA 74 CO 0.00 -0.09 0.24 -0.91 0.00 0.00 0.00 179.25 178.49 2f9h h ASN 75 N 0.14 0.80 0.29 0.00 -0.26 -1.86 0.05 115.58 114.75 2f9h h ASN 75 Ca 0.06 -0.17 -0.13 0.00 -0.56 0.00 0.00 56.30 55.51 2f9h h ASN 75 Cb 0.26 -0.21 -0.01 0.00 -1.06 0.00 0.00 38.32 37.30 2f9h h ASN 75 CO 0.00 0.74 -0.51 0.77 -1.06 0.00 0.00 177.43 177.37 2f9h h SER 76 N 0.80 0.27 0.27 5.81 4.64 -1.87 0.70 113.55 124.18 2f9h h SER 76 Ca 0.19 -0.14 -0.14 0.00 -0.47 0.00 0.00 61.79 61.24 2f9h h SER 76 Cb 0.19 -0.08 -0.01 0.00 -0.31 0.00 0.00 62.40 62.19 2f9h h SER 76 CO -0.02 0.74 -0.55 0.78 -0.87 0.00 0.00 176.83 176.91 2f9h h ASN 77 N 0.20 0.33 -0.03 4.97 2.35 -1.04 -1.64 115.58 120.71 2f9h h ASN 77 Ca 0.01 -0.18 -0.03 0.00 -0.55 0.00 0.00 56.30 55.55 2f9h h ASN 77 Cb 0.97 -0.10 0.00 0.00 0.05 0.00 0.00 38.32 39.25 2f9h h ASN 77 CO 0.08 0.82 -0.08 -0.07 -1.65 0.00 0.00 177.43 176.52 2f9h h LEU 78 N 0.23 0.13 -1.71 1.61 3.38 -0.65 -1.39 115.31 116.92 2f9h h LEU 78 Ca 0.00 -0.60 0.03 0.00 0.09 0.00 0.00 57.88 57.40 2f9h h LEU 78 Cb 1.05 -0.04 -0.02 0.00 0.09 0.00 0.00 40.66 41.74 2f9h h LEU 78 CO 0.09 0.71 0.25 1.56 0.09 0.00 0.00 178.44 181.14 2f9h h GLN 79 N -0.44 0.37 0.00 1.13 4.20 -0.84 0.70 115.11 120.23 2f9h h GLN 79 Ca -0.00 -0.02 -0.21 0.00 0.06 0.00 0.00 58.65 58.47 2f9h h GLN 79 Cb 0.69 -0.08 -0.03 0.00 0.30 0.00 0.00 27.48 28.36 2f9h h GLN 79 CO 0.02 0.25 -1.17 1.03 -0.67 0.00 0.00 178.83 178.29 2f9h h SER 80 N 0.38 0.00 0.00 1.46 0.87 -1.33 -3.37 113.55 111.57 2f9h h SER 80 Ca 0.15 -0.53 0.00 0.00 -1.23 0.00 0.00 61.79 60.18 2f9h h SER 80 Cb 0.14 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.10 2f9h h SER 80 CO -0.04 1.45 -0.14 2.30 -0.53 0.00 0.00 176.83 179.87 2f9h n ILE 81 N -4.45 0.75 -3.93 2.23 -5.35 -0.82 -4.98 119.36 102.82 2f9h n ILE 81 Ca -0.30 -0.86 -0.31 0.00 -0.27 0.00 0.00 62.75 61.00 2f9h n ILE 81 Cb 0.66 0.39 0.01 0.00 -1.74 0.00 0.00 39.64 38.97 2f9h n ILE 81 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 2f9h n ALA 82 N -0.52 -1.24 -2.79 -1.28 0.00 0.24 -0.26 120.51 114.66 2f9h n ALA 82 Ca 0.05 0.14 -0.36 0.00 0.00 0.00 0.00 53.44 53.27 2f9h n ALA 82 Cb 0.54 -4.08 -0.08 0.00 0.00 0.00 0.00 19.45 15.84 2f9h n ALA 82 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.50 175.92 2f9h s HIS 83 N -3.25 3.35 -0.03 0.00 5.04 -0.59 -2.71 115.29 117.11 2f9h s HIS 83 Ca 0.66 0.29 -0.29 0.00 -1.54 0.00 0.00 55.06 54.18 2f9h s HIS 83 Cb -0.34 -1.93 0.10 0.00 0.04 0.00 0.00 32.58 30.45 2f9h s HIS 83 CO 0.81 0.47 0.88 0.45 -2.34 0.00 0.00 174.74 175.02 2f9h s SER 84 N -0.55 -0.39 -0.41 9.88 0.15 -0.74 -3.05 113.70 118.58 2f9h s SER 84 Ca 0.11 0.11 -0.07 0.00 0.70 0.00 0.00 55.95 56.80 2f9h s SER 84 Cb -0.12 0.39 0.09 0.00 -1.71 0.00 0.00 66.02 64.67 2f9h s SER 84 CO 0.02 -0.59 0.23 -0.89 1.20 0.00 0.00 173.24 173.21 2f9h s THR 85 N -2.70 3.86 -0.15 6.45 2.01 -0.48 -0.58 115.64 124.05 2f9h s THR 85 Ca 0.03 -1.61 -0.29 0.00 0.31 0.00 0.00 61.69 60.12 2f9h s THR 85 Cb -0.01 -3.44 -0.01 0.00 0.01 0.00 0.00 72.50 69.05 2f9h s THR 85 CO -0.06 -0.54 1.19 -0.76 -0.69 0.00 0.00 174.62 173.75 2f9h s LEU 86 N 1.33 4.19 -0.25 4.42 1.43 -0.02 -0.69 118.68 129.09 2f9h s LEU 86 Ca 0.04 1.64 0.00 0.00 -1.03 0.00 0.00 54.13 54.78 2f9h s LEU 86 Cb -0.23 -3.54 0.04 0.00 0.03 0.00 0.00 46.19 42.49 2f9h s LEU 86 CO -0.00 -0.69 -0.09 -0.63 0.23 0.00 0.00 176.35 175.17 2f9h s ILE 87 N 3.07 2.54 -1.19 -0.59 1.01 0.25 -0.55 121.20 125.74 2f9h s ILE 87 Ca 0.52 -1.28 -0.06 0.00 0.00 0.00 0.00 60.65 59.83 2f9h s ILE 87 Cb -0.21 -2.35 0.23 0.00 0.01 0.00 0.00 42.46 40.14 2f9h s ILE 87 CO 0.15 0.12 1.80 0.49 0.00 0.00 0.00 174.94 177.50 2f9h n PHE 88 N 4.57 2.61 -3.53 3.97 3.72 -0.60 -0.41 117.46 127.78 2f9h n PHE 88 Ca -0.16 -2.69 -0.08 0.00 -0.05 0.00 0.00 57.45 54.48 2f9h n PHE 88 Cb 0.45 -1.61 -0.02 0.00 -0.94 0.00 0.00 39.48 37.36 2f9h n PHE 88 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 2f9h s ALA 89 N -1.43 -1.89 0.69 4.37 0.00 -1.25 -4.70 121.76 117.55 2f9h s ALA 89 Ca 0.38 1.20 -0.17 0.00 0.00 0.00 0.00 51.96 53.37 2f9h s ALA 89 Cb 0.10 0.21 0.01 0.00 0.00 0.00 0.00 23.12 23.45 2f9h s ALA 89 CO 0.02 -0.64 1.26 -0.51 0.00 0.00 0.00 175.76 175.88 2f9h s ASP 90 N -2.32 4.37 0.42 0.00 1.01 -1.26 -4.50 116.67 114.40 2f9h s ASP 90 Ca 0.06 2.52 -0.22 0.00 0.71 0.00 0.00 52.55 55.62 2f9h s ASP 90 Cb -0.01 -2.61 -0.10 0.00 1.01 0.00 0.00 42.92 41.21 2f9h s ASP 90 CO -0.07 -2.15 0.97 0.00 0.21 0.00 0.00 175.17 174.13 2f9h s ALA 91 N -1.65 3.04 0.55 5.23 0.00 -1.26 -5.00 121.76 122.67 2f9h s ALA 91 Ca 0.79 0.48 -0.21 0.00 0.00 0.00 0.00 51.96 53.03 2f9h s ALA 91 Cb -0.34 -3.19 -0.05 0.00 0.00 0.00 0.00 23.12 19.55 2f9h s ALA 91 CO 0.42 0.02 1.25 -1.25 0.00 0.00 0.00 175.76 176.20 2f9h s PRO 92 N -2.97 3.18 0.48 0.00 0.04 -1.26 -4.89 135.00 129.59 2f9h s PRO 92 Ca 0.61 1.95 0.27 0.00 0.04 0.00 0.00 61.00 63.88 2f9h s PRO 92 Cb -0.13 -2.14 1.09 0.00 0.04 0.00 0.00 34.50 33.36 2f9h s PRO 92 CO 0.17 -1.07 1.89 1.79 0.04 0.00 0.00 177.00 179.82 2f9h h THR 93 N 1.27 0.36 -3.57 1.26 1.35 -1.99 -3.40 112.91 108.19 2f9h h THR 93 Ca -0.50 -0.89 -0.67 0.00 -0.55 0.00 0.00 66.41 63.80 2f9h h THR 93 Cb 1.29 1.66 -0.16 0.00 -1.73 0.00 0.00 68.15 69.21 2f9h h THR 93 CO 0.57 0.14 0.02 -0.62 -0.25 0.00 0.00 175.52 175.38 2f9h s ASP 94 N -6.03 6.28 0.29 5.36 2.15 -1.26 -4.95 116.67 118.51 2f9h s ASP 94 Ca 0.01 -0.44 0.03 0.00 0.43 0.00 0.00 52.55 52.59 2f9h s ASP 94 Cb 0.10 -2.29 0.66 0.00 -0.30 0.00 0.00 42.92 41.09 2f9h s ASP 94 CO 0.60 -0.71 1.77 -0.33 -0.17 0.00 0.00 175.17 176.33 2f9h h GLU 95 N 8.82 0.71 0.00 4.34 4.39 -1.98 0.33 114.58 131.19 2f9h h GLU 95 Ca -0.26 -0.04 0.00 0.00 0.34 0.00 0.00 59.36 59.40 2f9h h GLU 95 Cb 1.10 -0.16 0.00 0.00 -0.10 0.00 0.00 28.75 29.59 2f9h h GLU 95 CO 0.86 0.47 0.00 -0.25 -1.16 0.00 0.00 179.01 178.93 2f9h n ASP 96 N -4.80 0.19 -0.20 1.42 9.92 -1.26 -0.97 116.55 120.86 2f9h n ASP 96 Ca 0.21 0.58 0.10 0.00 -0.53 0.00 0.00 54.79 55.15 2f9h n ASP 96 Cb 0.52 -0.61 -0.07 0.00 -0.64 0.00 0.00 41.12 40.32 2f9h n ASP 96 CO 0.00 0.00 0.00 0.47 0.13 0.00 0.00 177.20 177.80 2f9h n ASP 97 N -1.75 1.40 -4.76 -2.24 8.00 0.11 -4.95 116.55 112.36 2f9h n ASP 97 Ca 0.00 -1.20 -0.41 0.00 0.71 0.00 0.00 54.79 53.89 2f9h n ASP 97 Cb 0.05 0.79 -0.02 0.00 -0.02 0.00 0.00 41.12 41.92 2f9h n ASP 97 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 2f9h s VAL 98 N -2.75 2.64 -0.04 2.53 1.01 -0.14 -4.85 120.40 118.79 2f9h s VAL 98 Ca 0.12 0.61 -0.30 0.00 0.00 0.00 0.00 61.98 62.41 2f9h s VAL 98 Cb 0.17 -3.39 -0.04 0.00 0.00 0.00 0.00 36.38 33.12 2f9h s VAL 98 CO 0.73 0.13 1.29 -0.63 0.00 0.00 0.00 175.10 176.63 2f9h s ILE 99 N -0.86 4.03 0.30 2.22 -1.09 -1.26 -4.93 121.20 119.62 2f9h s ILE 99 Ca 0.52 1.37 0.01 0.00 -2.23 0.00 0.00 60.65 60.32 2f9h s ILE 99 Cb -0.41 -3.88 0.28 0.00 -1.58 0.00 0.00 42.46 36.87 2f9h s ILE 99 CO 0.52 -0.02 1.92 0.03 -1.23 0.00 0.00 174.94 176.17 2f9h h ARG 100 N 7.71 1.00 -0.50 2.79 -0.00 -1.93 -1.84 114.38 121.61 2f9h h ARG 100 Ca -0.35 -0.06 -0.05 0.00 -0.50 0.00 0.00 59.98 59.02 2f9h h ARG 100 Cb 1.16 -0.22 -0.03 0.00 0.00 0.00 0.00 29.97 30.88 2f9h h ARG 100 CO 0.90 0.66 0.05 0.27 0.00 0.00 0.00 179.97 181.85 2f9h n ASN 101 N -4.47 4.86 -4.87 7.04 2.04 -1.26 -0.47 115.26 118.12 2f9h n ASN 101 Ca 0.13 -3.06 -0.31 0.00 -0.44 0.00 0.00 54.58 50.89 2f9h n ASN 101 Cb 0.17 -0.65 -0.05 0.00 -2.53 0.00 0.00 39.78 36.72 2f9h n ASN 101 CO 0.00 0.00 0.00 -0.83 -0.44 0.00 0.00 177.26 175.99 2f9h s GLY 102 N -1.28 2.14 -0.19 4.83 0.00 -0.69 -1.38 107.32 110.75 2f9h s GLY 102 Ca 0.51 -0.15 -0.01 0.00 0.00 0.00 0.00 44.72 45.06 2f9h s GLY 102 CO 0.13 0.03 -0.02 0.14 0.00 0.00 0.00 173.10 173.38 2f9h s VAL 103 N -2.11 0.96 -0.07 1.40 1.01 0.14 -0.67 120.40 121.06 2f9h s VAL 103 Ca 0.51 -0.73 -0.24 0.00 0.00 0.00 0.00 61.98 61.52 2f9h s VAL 103 Cb -0.10 -1.29 -0.03 0.00 0.00 0.00 0.00 36.38 34.96 2f9h s VAL 103 CO 0.24 -0.06 0.75 -0.31 0.00 0.00 0.00 175.10 175.72 2f9h s TYR 104 N 1.67 3.56 0.18 5.22 2.02 0.23 -0.58 117.35 129.66 2f9h s TYR 104 Ca -0.02 1.30 0.09 0.00 -0.37 0.00 0.00 57.07 58.07 2f9h s TYR 104 Cb -0.17 -2.87 -0.04 0.00 -0.40 0.00 0.00 41.96 38.48 2f9h s TYR 104 CO -0.07 0.02 -0.19 -0.51 -1.57 0.00 0.00 175.55 173.23 2f9h s LEU 105 N 1.04 2.46 -0.03 -1.29 1.43 0.45 -0.37 118.68 122.36 2f9h s LEU 105 Ca 0.39 -0.89 -0.05 0.00 -1.03 0.00 0.00 54.13 52.56 2f9h s LEU 105 Cb -0.18 -0.88 0.01 0.00 0.03 0.00 0.00 46.19 45.17 2f9h s LEU 105 CO 0.18 -0.02 0.13 0.28 0.23 0.00 0.00 176.35 177.15 2f9h s THR 106 N -2.10 0.03 0.97 5.49 -1.32 -0.95 -3.77 115.64 113.99 2f9h s THR 106 Ca 0.18 -0.22 -0.11 0.00 -1.21 0.00 0.00 61.69 60.33 2f9h s THR 106 Cb -0.06 -0.26 0.18 0.00 -1.51 0.00 0.00 72.50 70.85 2f9h s THR 106 CO 0.08 -0.12 1.12 -2.16 -2.21 0.00 0.00 174.62 171.32 2f9h s PRO 107 N -0.37 0.56 -0.01 7.08 0.04 -1.26 -0.99 135.00 140.05 2f9h s PRO 107 Ca -0.04 1.37 0.04 0.00 0.04 0.00 0.00 61.00 62.40 2f9h s PRO 107 Cb -0.03 -1.69 0.14 0.00 0.04 0.00 0.00 34.50 32.96 2f9h s PRO 107 CO 0.00 -2.88 1.02 0.72 0.04 0.00 0.00 177.00 175.90 2f9h n HIS 108 N -4.39 0.25 -2.89 0.56 8.25 -1.26 -4.85 115.22 110.89 2f9h n HIS 108 Ca 0.10 -0.11 -0.41 0.00 -0.26 0.00 0.00 57.72 57.04 2f9h n HIS 108 Cb 0.53 -0.04 -0.04 0.00 1.12 0.00 0.00 29.99 31.55 2f9h n HIS 108 CO 0.00 0.00 0.00 -1.14 0.64 0.00 0.00 176.34 175.84 2f9h s GLN 109 N -1.69 4.50 0.46 -0.41 0.74 -1.26 -4.84 119.66 117.16 2f9h s GLN 109 Ca 0.10 1.14 -0.24 0.00 0.05 0.00 0.00 55.36 56.41 2f9h s GLN 109 Cb 0.06 -3.44 -0.07 0.00 1.10 0.00 0.00 33.01 30.66 2f9h s GLN 109 CO 0.06 0.05 1.28 -0.51 -0.55 0.00 0.00 175.29 175.62 2f9h s LEU 110 N 0.75 4.06 0.55 3.68 1.02 -1.26 -5.00 118.68 122.47 2f9h s LEU 110 Ca 0.44 2.58 -0.12 0.00 0.02 0.00 0.00 54.13 57.05 2f9h s LEU 110 Cb -0.20 -4.10 -0.05 0.00 0.02 0.00 0.00 46.19 41.86 2f9h s LEU 110 CO 0.23 -1.06 0.96 -2.16 0.02 0.00 0.00 176.35 174.34 2f9h s PRO 111 N -2.55 3.72 -0.38 1.29 0.04 -1.26 -5.01 135.00 130.84 2f9h s PRO 111 Ca 0.63 0.72 -0.23 0.00 0.04 0.00 0.00 61.00 62.16 2f9h s PRO 111 Cb -0.36 -2.16 0.01 0.00 0.04 0.00 0.00 34.50 32.03 2f9h s PRO 111 CO 0.44 -0.38 0.77 0.15 0.04 0.00 0.00 177.00 178.03 2f9h s LYS 112 N -4.65 3.67 -0.08 4.56 1.02 -1.26 -5.03 119.74 117.97 2f9h s LYS 112 Ca 0.55 0.20 0.05 0.00 0.02 0.00 0.00 55.97 56.78 2f9h s LYS 112 Cb -0.11 -3.84 -0.01 0.00 -0.52 0.00 0.00 37.83 33.36 2f9h s LYS 112 CO 0.44 -0.90 -0.22 0.42 -0.92 0.00 0.00 175.35 174.16 2f9h s ILE 113 N 3.11 2.30 0.24 2.17 1.01 -1.26 -4.64 121.20 124.13 2f9h s ILE 113 Ca 0.30 -0.97 -0.05 0.00 0.00 0.00 0.00 60.65 59.94 2f9h s ILE 113 Cb -0.13 -1.87 -0.02 0.00 0.01 0.00 0.00 42.46 40.45 2f9h s ILE 113 CO 0.18 0.56 0.31 0.42 0.00 0.00 0.00 174.94 176.41 2f9h s THR 114 N -0.03 0.00 0.05 2.92 -4.23 -1.26 -5.05 115.64 108.04 2f9h s THR 114 Ca -0.07 -1.74 -0.30 0.00 -1.18 0.00 0.00 61.69 58.40 2f9h s THR 114 Cb -0.15 -2.41 -0.08 0.00 1.34 0.00 0.00 72.50 71.20 2f9h s THR 114 CO 0.05 0.00 1.77 -0.63 -0.54 0.00 0.00 174.62 175.27 2f9h s ILE 115 N -3.92 3.01 0.00 2.99 1.01 -1.26 -1.42 121.20 121.61 2f9h s ILE 115 Ca 0.32 0.32 0.00 0.00 0.00 0.00 0.00 60.65 61.29 2f9h s ILE 115 Cb 0.03 -3.20 0.00 0.00 0.01 0.00 0.00 42.46 39.30 2f9h s ILE 115 CO 0.13 -0.01 0.00 0.61 0.00 0.00 0.00 174.94 175.67 2f9h n GLY 116 N 4.20 2.05 3.77 6.18 0.00 -0.44 -5.02 105.19 115.93 2f9h n GLY 116 Ca 0.17 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.78 2f9h n GLY 116 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2f9h s THR 117 N -2.32 2.29 0.09 2.61 2.01 -0.51 -4.64 115.64 115.17 2f9h s THR 117 Ca 0.00 0.27 0.02 0.00 0.31 0.00 0.00 61.69 62.29 2f9h s THR 117 Cb 0.00 -3.17 -0.04 0.00 0.01 0.00 0.00 72.50 69.30 2f9h s THR 117 CO 0.00 0.06 0.19 0.42 -0.69 0.00 0.00 174.62 174.60 2f9h s THR 118 N -0.75 5.12 -0.31 -0.82 -4.23 -1.26 -0.69 115.64 112.70 2f9h s THR 118 Ca 0.55 -0.59 0.01 0.00 -1.18 0.00 0.00 61.69 60.48 2f9h s THR 118 Cb -0.45 -3.53 0.10 0.00 1.34 0.00 0.00 72.50 69.96 2f9h s THR 118 CO 0.55 0.06 0.06 -0.63 -0.54 0.00 0.00 174.62 174.13 2f9h s ILE 119 N -1.56 1.54 -0.27 2.99 1.01 -0.37 -2.05 121.20 122.51 2f9h s ILE 119 Ca 0.33 -1.78 -0.23 0.00 0.00 0.00 0.00 60.65 58.97 2f9h s ILE 119 Cb -0.12 -2.11 -0.01 0.00 0.01 0.00 0.00 42.46 40.23 2f9h s ILE 119 CO 0.26 -0.58 0.77 -1.81 0.00 0.00 0.00 174.94 173.59 2f9h s ASP 120 N 1.29 6.72 -0.40 3.58 1.01 0.07 -2.32 116.67 126.62 2f9h s ASP 120 Ca 0.08 0.83 -0.20 0.00 0.71 0.00 0.00 52.55 53.97 2f9h s ASP 120 Cb -0.18 -2.40 0.01 0.00 1.01 0.00 0.00 42.92 41.36 2f9h s ASP 120 CO -0.16 -0.52 0.63 -0.31 0.21 0.00 0.00 175.17 175.02 2f9h s TYR 121 N 2.81 3.10 -0.67 4.23 2.02 -1.26 -1.02 117.35 126.57 2f9h s TYR 121 Ca 0.32 0.11 -0.06 0.00 -0.37 0.00 0.00 57.07 57.07 2f9h s TYR 121 Cb -0.15 -3.24 0.17 0.00 -0.40 0.00 0.00 41.96 38.35 2f9h s TYR 121 CO 0.09 -0.75 0.51 -0.51 -1.57 0.00 0.00 175.55 173.32 2f9h s LEU 122 N 2.74 5.61 0.00 -1.29 1.43 -0.75 -4.00 118.68 122.42 2f9h s LEU 122 Ca 0.23 -2.79 0.28 0.00 -1.03 0.00 0.00 54.13 50.82 2f9h s LEU 122 Cb -0.14 -1.94 1.01 0.00 0.03 0.00 0.00 46.19 45.15 2f9h s LEU 122 CO 0.17 -0.43 1.72 0.52 0.23 0.00 0.00 176.35 178.57