#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1f6m n ASP 2 N 0.00 0.07 -0.06 -3.46 5.75 -1.26 -4.85 116.55 112.74 1f6m n ASP 2 Ca 0.00 -0.34 -0.12 0.00 -0.01 0.00 0.00 54.79 54.32 1f6m n ASP 2 Cb 0.00 0.26 -0.05 0.00 -1.03 0.00 0.00 41.12 40.30 1f6m n ASP 2 CO 0.00 0.00 0.00 0.29 -0.11 0.00 0.00 177.20 177.38 1f6m n LYS 3 N -0.26 0.30 -1.50 0.11 5.02 -1.26 -4.94 118.16 115.63 1f6m n LYS 3 Ca 0.00 0.10 -0.48 0.00 -2.02 0.00 0.00 58.31 55.91 1f6m n LYS 3 Cb 0.04 -1.11 -0.06 0.00 -0.02 0.00 0.00 35.03 33.87 1f6m n LYS 3 CO 0.00 0.00 0.00 -0.89 -0.52 0.00 0.00 177.40 175.99 1f6m n ILE 4 N -3.24 0.22 -2.08 -0.18 2.08 -1.26 -4.77 119.36 110.13 1f6m n ILE 4 Ca -0.24 -0.34 -0.41 0.00 0.56 0.00 0.00 62.75 62.31 1f6m n ILE 4 Cb 0.71 -1.95 -0.03 0.00 -0.75 0.00 0.00 39.64 37.62 1f6m n ILE 4 CO 0.00 0.00 0.00 -0.63 0.56 0.00 0.00 176.55 176.48 1f6m s ILE 5 N 7.90 3.51 -1.16 1.39 -1.09 0.39 -4.80 121.20 127.33 1f6m s ILE 5 Ca 1.07 0.45 -0.21 0.00 -2.23 0.00 0.00 60.65 59.73 1f6m s ILE 5 Cb -0.68 -3.88 -0.06 0.00 -1.58 0.00 0.00 42.46 36.27 1f6m s ILE 5 CO 0.44 -0.69 1.90 1.57 -1.23 0.00 0.00 174.94 176.93 1f6m n HIS 6 N 10.98 3.09 -0.37 3.97 -0.00 -1.26 -1.21 115.22 130.43 1f6m n HIS 6 Ca 0.20 -1.93 -0.28 0.00 0.46 0.00 0.00 57.72 56.18 1f6m n HIS 6 Cb 0.49 -2.48 0.25 0.00 -0.12 0.00 0.00 29.99 28.14 1f6m n HIS 6 CO 0.00 0.00 0.00 1.28 0.46 0.00 0.00 176.34 178.08 1f6m n LEU 7 N 11.42 -1.02 -3.74 0.27 4.77 -1.06 -4.98 117.00 122.65 1f6m n LEU 7 Ca 0.47 -0.58 -0.12 0.00 -0.03 0.00 0.00 56.01 55.74 1f6m n LEU 7 Cb 0.45 -1.01 -0.11 0.00 -2.33 0.00 0.00 43.42 40.42 1f6m n LEU 7 CO 0.77 -3.99 -0.01 0.42 -1.33 0.00 0.00 177.39 173.26 1f6m s THR 8 N -2.17 -0.01 0.12 -5.08 -4.23 -1.25 -4.69 115.64 98.33 1f6m s THR 8 Ca 0.61 0.04 -0.15 0.00 -1.18 0.00 0.00 61.69 61.01 1f6m s THR 8 Cb -0.14 -0.48 0.05 0.00 1.34 0.00 0.00 72.50 73.26 1f6m s THR 8 CO 0.55 0.02 0.96 0.47 -0.54 0.00 0.00 174.62 176.07 1f6m n ASP 9 N 3.34 -0.54 0.01 3.99 10.43 -1.26 -1.54 116.55 130.98 1f6m n ASP 9 Ca -0.17 1.09 -0.00 0.00 2.57 0.00 0.00 54.79 58.28 1f6m n ASP 9 Cb 0.57 -0.19 -0.00 0.00 1.84 0.00 0.00 41.12 43.33 1f6m n ASP 9 CO 0.00 0.00 0.00 0.44 -1.07 0.00 0.00 177.20 176.57 1f6m h ASP 10 N 0.00 -0.03 0.00 -2.24 5.19 -1.99 -3.23 116.42 114.12 1f6m h ASP 10 Ca 0.15 0.00 -0.61 0.00 -0.62 0.00 0.00 57.03 55.96 1f6m h ASP 10 Cb 0.31 0.01 0.04 0.00 0.18 0.00 0.00 39.33 39.87 1f6m h ASP 10 CO -0.60 -0.02 2.34 -1.54 -3.12 0.00 0.00 179.24 176.30 1f6m n SER 11 N -2.26 2.82 0.00 6.45 3.41 -0.59 -4.28 113.62 119.17 1f6m n SER 11 Ca -0.00 -2.62 0.00 0.00 -0.26 0.00 0.00 58.87 55.98 1f6m n SER 11 Cb 0.01 -1.10 0.00 0.00 -0.26 0.00 0.00 64.21 62.86 1f6m n SER 11 CO 0.00 0.00 0.00 0.33 -0.16 0.00 0.00 175.04 175.21 1f6m n PHE 12 N 7.00 0.00 -0.20 7.33 7.35 -1.20 -3.94 117.46 133.80 1f6m n PHE 12 Ca 0.48 0.00 0.18 0.00 -0.76 0.00 0.00 57.45 57.36 1f6m n PHE 12 Cb 0.36 0.00 0.53 0.00 0.35 0.00 0.00 39.48 40.72 1f6m n PHE 12 CO 0.00 0.00 0.00 0.22 -0.76 0.00 0.00 176.76 176.22 1f6m h ASP 13 N 0.00 0.36 0.11 -2.13 1.82 -1.85 1.26 116.42 116.00 1f6m h ASP 13 Ca 0.00 0.03 0.00 0.00 -0.39 0.00 0.00 57.03 56.67 1f6m h ASP 13 Cb 0.00 -0.04 0.00 0.00 0.68 0.00 0.00 39.33 39.97 1f6m h ASP 13 CO 0.00 0.16 0.00 0.35 -1.61 0.00 0.00 179.24 178.14 1f6m n THR 14 N -4.48 0.16 0.02 2.25 -2.24 -1.26 -0.66 114.28 108.07 1f6m n THR 14 Ca 0.17 0.04 0.00 0.00 -2.27 0.00 0.00 64.05 61.99 1f6m n THR 14 Cb 0.64 -0.75 0.00 0.00 -2.10 0.00 0.00 70.33 68.11 1f6m n THR 14 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 1f6m n ASP 15 N -1.09 0.24 0.01 3.42 10.43 0.40 -4.62 116.55 125.33 1f6m n ASP 15 Ca 0.12 0.05 -0.18 0.00 2.57 0.00 0.00 54.79 57.35 1f6m n ASP 15 Cb 0.09 -0.06 -0.11 0.00 1.84 0.00 0.00 41.12 42.87 1f6m n ASP 15 CO 0.00 0.00 0.00 0.58 -1.07 0.00 0.00 177.20 176.71 1f6m h VAL 16 N 0.00 1.43 0.01 2.53 2.07 -0.62 -2.84 116.25 118.83 1f6m h VAL 16 Ca 0.00 -2.15 -0.20 0.00 0.82 0.00 0.00 66.70 65.18 1f6m h VAL 16 Cb 0.00 2.65 -0.02 0.00 -1.52 0.00 0.00 31.29 32.41 1f6m h VAL 16 CO 0.00 0.62 -0.91 -0.07 0.02 0.00 0.00 177.57 177.23 1f6m h LEU 17 N -0.10 0.11 0.00 2.57 4.07 -1.62 -3.35 115.31 117.00 1f6m h LEU 17 Ca -0.09 -0.10 -0.13 0.00 0.08 0.00 0.00 57.88 57.64 1f6m h LEU 17 Cb 1.38 -0.04 -0.02 0.00 1.08 0.00 0.00 40.66 43.07 1f6m h LEU 17 CO 0.13 0.96 -1.07 2.29 -1.08 0.00 0.00 178.44 179.67 1f6m n LYS 18 N -3.55 0.51 -1.68 1.13 2.85 0.17 -1.37 118.16 116.22 1f6m n LYS 18 Ca -0.02 0.46 -0.55 0.00 -1.05 0.00 0.00 58.31 57.14 1f6m n LYS 18 Cb 0.84 -1.64 -0.07 0.00 -0.65 0.00 0.00 35.03 33.52 1f6m n LYS 18 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 1f6m n ALA 19 N -3.79 0.14 -1.06 0.58 0.00 -1.07 -4.87 120.51 110.44 1f6m n ALA 19 Ca -0.22 0.33 -0.33 0.00 0.00 0.00 0.00 53.44 53.22 1f6m n ALA 19 Cb 0.51 -2.31 0.13 0.00 0.00 0.00 0.00 19.45 17.78 1f6m n ALA 19 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 177.50 177.66 1f6m s ASP 20 N 4.01 3.48 0.00 0.00 -4.77 -1.26 -4.57 116.67 113.57 1f6m s ASP 20 Ca 0.99 2.37 0.00 0.00 -3.30 0.00 0.00 52.55 52.60 1f6m s ASP 20 Cb -0.98 -2.59 0.00 0.00 -1.09 0.00 0.00 42.92 38.26 1f6m s ASP 20 CO 0.62 -2.74 0.00 0.61 0.70 0.00 0.00 175.17 174.36 1f6m n GLY 21 N 0.50 2.55 3.58 2.12 0.00 -1.26 -4.93 105.19 107.74 1f6m n GLY 21 Ca 0.13 -1.87 -0.42 0.00 0.00 0.00 0.00 46.02 43.86 1f6m n GLY 21 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1f6m s ALA 22 N -2.72 2.91 -0.19 4.61 0.00 -1.26 -4.28 121.76 120.83 1f6m s ALA 22 Ca 0.00 -0.85 -0.03 0.00 0.00 0.00 0.00 51.96 51.08 1f6m s ALA 22 Cb 0.00 -4.09 -0.01 0.00 0.00 0.00 0.00 23.12 19.02 1f6m s ALA 22 CO 0.00 -2.82 -0.07 -1.50 0.00 0.00 0.00 175.76 171.37 1f6m s ILE 23 N 5.36 3.32 -0.07 0.00 2.07 -1.17 -1.46 121.20 129.26 1f6m s ILE 23 Ca 0.44 -0.53 -0.25 0.00 -1.41 0.00 0.00 60.65 58.91 1f6m s ILE 23 Cb -0.08 -2.47 -0.03 0.00 0.13 0.00 0.00 42.46 40.00 1f6m s ILE 23 CO 0.24 0.46 0.77 -0.22 -1.91 0.00 0.00 174.94 174.28 1f6m s LEU 24 N 1.06 4.31 -0.20 8.50 2.96 0.47 -1.58 118.68 134.20 1f6m s LEU 24 Ca 0.00 1.28 -0.04 0.00 -0.22 0.00 0.00 54.13 55.15 1f6m s LEU 24 Cb -0.15 -3.20 -0.02 0.00 0.50 0.00 0.00 46.19 43.33 1f6m s LEU 24 CO -0.01 -0.18 -0.02 -0.69 -1.32 0.00 0.00 176.35 174.13 1f6m s VAL 25 N 1.02 3.74 -0.44 1.68 1.01 0.86 -0.19 120.40 128.07 1f6m s VAL 25 Ca 0.40 -0.39 -0.08 0.00 0.00 0.00 0.00 61.98 61.91 1f6m s VAL 25 Cb -0.18 -2.68 0.10 0.00 0.00 0.00 0.00 36.38 33.62 1f6m s VAL 25 CO 0.19 0.44 0.29 -0.62 0.00 0.00 0.00 175.10 175.41 1f6m s ASP 26 N 1.02 5.62 -0.33 3.32 2.15 0.14 -1.05 116.67 127.55 1f6m s ASP 26 Ca 0.01 -1.76 -0.26 0.00 0.43 0.00 0.00 52.55 50.97 1f6m s ASP 26 Cb -0.14 -1.98 0.01 0.00 -0.30 0.00 0.00 42.92 40.50 1f6m s ASP 26 CO 0.01 -0.62 0.93 -0.36 -0.17 0.00 0.00 175.17 174.96 1f6m s PHE 27 N 1.36 3.15 0.34 -5.34 0.40 -1.05 -0.83 117.98 116.01 1f6m s PHE 27 Ca 0.05 0.93 0.07 0.00 -0.60 0.00 0.00 56.93 57.39 1f6m s PHE 27 Cb -0.25 -3.50 -0.03 0.00 0.51 0.00 0.00 43.02 39.75 1f6m s PHE 27 CO -0.00 -0.71 0.27 1.67 0.70 0.00 0.00 175.22 177.16 1f6m s TRP 28 N 3.34 1.78 -0.27 0.36 1.48 -1.23 -3.31 118.94 121.09 1f6m s TRP 28 Ca 0.38 -1.66 -0.23 0.00 -1.06 0.00 0.00 56.10 53.53 1f6m s TRP 28 Cb -0.13 -0.74 0.07 0.00 -1.16 0.00 0.00 33.47 31.51 1f6m s TRP 28 CO 0.15 -0.85 0.70 0.00 -4.06 0.00 0.00 176.95 172.90 1f6m s ALA 29 N -3.42 -1.76 -1.60 2.67 0.00 -1.26 -1.15 121.76 115.24 1f6m s ALA 29 Ca 0.40 2.04 0.01 0.00 0.00 0.00 0.00 51.96 54.41 1f6m s ALA 29 Cb 0.02 -1.19 0.05 0.00 0.00 0.00 0.00 23.12 22.01 1f6m s ALA 29 CO 0.27 -0.34 0.74 -1.91 0.00 0.00 0.00 175.76 174.53 1f6m n GLU 30 N 2.89 0.02 -0.00 0.00 4.07 -1.26 -0.89 120.64 125.47 1f6m n GLU 30 Ca -0.15 0.19 0.09 0.00 -0.06 0.00 0.00 57.16 57.23 1f6m n GLU 30 Cb 0.56 -1.50 -0.12 0.00 -0.06 0.00 0.00 31.44 30.31 1f6m n GLU 30 CO 0.00 0.00 0.00 -2.67 -0.06 0.00 0.00 177.13 174.40 1f6m n TRP 31 N -1.20 0.00 -3.38 4.31 2.14 -1.26 -4.81 117.44 113.23 1f6m n TRP 31 Ca 0.01 0.00 -0.44 0.00 2.07 0.00 0.00 57.50 59.13 1f6m n TRP 31 Cb 0.01 -0.24 -0.07 0.00 -0.81 0.00 0.00 31.31 30.20 1f6m n TRP 31 CO 0.00 0.00 0.00 0.00 2.07 0.00 0.00 177.69 179.76 1f6m h GLY 33 N 8.76 -1.38 -0.92 0.00 0.00 -1.87 -0.04 103.07 107.61 1f6m h GLY 33 Ca -0.28 0.70 0.37 0.00 0.00 0.00 0.00 47.33 48.12 1f6m h GLY 33 CO 0.94 -0.42 1.10 -2.55 0.00 0.00 0.00 176.54 175.61 1f6m h PRO 34 N -0.25 0.00 0.02 4.80 0.11 -1.94 0.22 132.00 134.96 1f6m h PRO 34 Ca 0.02 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 66.13 1f6m h PRO 34 Cb 0.30 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.41 1f6m h PRO 34 CO -0.21 0.00 -0.01 0.77 -0.21 0.00 0.00 178.00 178.34 1f6m h SER 35 N 0.00 -0.02 0.55 -2.05 0.02 -1.31 -3.13 113.55 107.61 1f6m h SER 35 Ca 0.61 -0.39 0.00 0.00 -0.84 0.00 0.00 61.79 61.16 1f6m h SER 35 Cb 2.80 0.01 0.00 0.00 0.14 0.00 0.00 62.40 65.35 1f6m h SER 35 CO -0.01 0.38 -0.00 2.29 -1.14 0.00 0.00 176.83 178.36 1f6m n LYS 36 N -4.91 0.45 0.00 3.45 2.85 0.66 -3.02 118.16 117.64 1f6m n LYS 36 Ca -0.08 -0.00 0.14 0.00 -1.05 0.00 0.00 58.31 57.31 1f6m n LYS 36 Cb 0.22 -1.50 0.49 0.00 -0.65 0.00 0.00 35.03 33.58 1f6m n LYS 36 CO 0.00 0.00 0.00 -0.12 -0.05 0.00 0.00 177.40 177.23 1f6m n MET 37 N -1.27 0.79 -0.03 -1.58 1.56 -0.49 -3.53 117.12 112.57 1f6m n MET 37 Ca 0.15 -0.39 -0.15 0.00 -0.27 0.00 0.00 57.70 57.04 1f6m n MET 37 Cb 0.24 -1.49 -0.14 0.00 2.15 0.00 0.00 33.22 33.98 1f6m n MET 37 CO 0.00 0.00 0.00 -0.89 -0.73 0.00 0.00 175.97 174.35 1f6m n ILE 38 N -0.77 1.65 -0.25 1.12 5.41 -1.17 -4.43 119.36 120.92 1f6m n ILE 38 Ca 0.13 -0.73 0.05 0.00 1.00 0.00 0.00 62.75 63.20 1f6m n ILE 38 Cb 0.32 -1.29 0.11 0.00 -0.71 0.00 0.00 39.64 38.07 1f6m n ILE 38 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1f6m n ALA 39 N -2.81 0.19 0.34 -1.39 0.00 -1.23 -0.73 120.51 114.89 1f6m n ALA 39 Ca -0.27 0.77 -0.18 0.00 0.00 0.00 0.00 53.44 53.77 1f6m n ALA 39 Cb 1.06 -0.48 -0.09 0.00 0.00 0.00 0.00 19.45 19.94 1f6m n ALA 39 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 1f6m h PRO 40 N 0.00 -0.95 -0.65 0.00 0.11 -1.81 -2.79 132.00 125.92 1f6m h PRO 40 Ca 0.35 0.06 0.13 0.00 0.11 0.00 0.00 66.00 66.65 1f6m h PRO 40 Cb 0.56 0.22 -0.04 0.00 0.11 0.00 0.00 31.00 31.84 1f6m h PRO 40 CO -0.72 -0.63 0.44 0.82 -0.21 0.00 0.00 178.00 177.70 1f6m h ILE 41 N -0.98 0.82 -0.02 4.15 2.04 -1.19 -0.68 117.51 121.65 1f6m h ILE 41 Ca -0.07 -0.11 -0.07 0.00 1.00 0.00 0.00 64.86 65.61 1f6m h ILE 41 Cb 0.81 0.47 -0.01 0.00 -0.74 0.00 0.00 36.82 37.35 1f6m h ILE 41 CO 0.05 0.06 -0.31 -0.07 0.00 0.00 0.00 178.15 177.88 1f6m h LEU 42 N 0.32 0.03 0.31 1.44 3.38 -1.06 -2.75 115.31 116.98 1f6m h LEU 42 Ca 0.31 -0.01 -0.02 0.00 0.09 0.00 0.00 57.88 58.26 1f6m h LEU 42 Cb 0.77 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.51 1f6m h LEU 42 CO -0.08 0.35 -0.15 0.44 0.09 0.00 0.00 178.44 179.09 1f6m h ASP 43 N 0.03 -0.35 0.00 -0.43 3.45 -0.94 -0.45 116.42 117.73 1f6m h ASP 43 Ca 0.00 -0.18 0.00 0.00 0.43 0.00 0.00 57.03 57.28 1f6m h ASP 43 Cb 0.57 0.09 0.00 0.00 -0.56 0.00 0.00 39.33 39.43 1f6m h ASP 43 CO 0.04 0.03 0.00 -0.62 -1.57 0.00 0.00 179.24 177.12 1f6m n GLU 44 N -5.12 0.48 0.00 3.56 1.02 -1.11 -1.27 120.64 118.20 1f6m n GLU 44 Ca -0.09 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.05 1f6m n GLU 44 Cb 0.27 -1.24 0.00 0.00 -0.02 0.00 0.00 31.44 30.45 1f6m n GLU 44 CO 0.00 0.00 0.00 -0.89 1.18 0.00 0.00 177.13 177.42 1f6m n ILE 45 N 0.27 0.00 0.14 -3.67 2.08 -0.99 -3.87 119.36 113.33 1f6m n ILE 45 Ca 0.00 0.00 0.02 0.00 0.56 0.00 0.00 62.75 63.33 1f6m n ILE 45 Cb 0.12 -0.54 0.37 0.00 -0.75 0.00 0.00 39.64 38.84 1f6m n ILE 45 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 1f6m h ALA 46 N 0.00 1.44 0.01 -1.39 0.00 0.31 0.17 119.26 119.79 1f6m h ALA 46 Ca 0.00 -0.26 -0.22 0.00 0.00 0.00 0.00 54.91 54.43 1f6m h ALA 46 Cb 0.76 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 18.44 1f6m h ALA 46 CO 0.00 0.40 -1.18 -0.44 0.00 0.00 0.00 179.25 178.03 1f6m h ASP 47 N 0.14 0.02 0.09 0.00 5.19 -1.74 -2.55 116.42 117.57 1f6m h ASP 47 Ca 0.02 -0.57 0.00 0.00 -0.62 0.00 0.00 57.03 55.86 1f6m h ASP 47 Cb 0.50 -0.01 0.00 0.00 0.18 0.00 0.00 39.33 40.01 1f6m h ASP 47 CO 0.04 1.47 0.00 -0.62 -3.12 0.00 0.00 179.24 177.00 1f6m n GLU 48 N -4.41 0.53 -0.33 3.56 1.02 -1.19 -2.89 120.64 116.93 1f6m n GLU 48 Ca -0.30 0.03 0.00 0.00 -0.02 0.00 0.00 57.16 56.87 1f6m n GLU 48 Cb 0.68 -1.50 0.00 0.00 -0.02 0.00 0.00 31.44 30.60 1f6m n GLU 48 CO 0.00 0.00 0.00 0.66 1.18 0.00 0.00 177.13 178.97 1f6m n TYR 49 N -1.07 0.00 -0.71 -0.32 4.02 0.60 -4.97 117.16 114.71 1f6m n TYR 49 Ca 0.13 0.00 -0.32 0.00 -0.01 0.00 0.00 57.90 57.70 1f6m n TYR 49 Cb 0.09 -0.01 0.15 0.00 -0.02 0.00 0.00 39.34 39.55 1f6m n TYR 49 CO 0.00 0.00 0.00 0.94 -1.01 0.00 0.00 176.86 176.79 1f6m n GLN 50 N 0.00 -0.81 0.00 -0.72 7.27 -0.96 -2.24 117.38 119.92 1f6m n GLN 50 Ca 0.00 -0.20 0.00 0.00 0.07 0.00 0.00 57.00 56.87 1f6m n GLN 50 Cb 0.62 -1.96 0.00 0.00 2.41 0.00 0.00 30.24 31.31 1f6m n GLN 50 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 1f6m n GLY 51 N 1.31 0.68 0.51 1.69 0.00 -1.26 -4.34 105.19 103.78 1f6m n GLY 51 Ca 0.06 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.13 1f6m n GLY 51 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1f6m n LYS 52 N -0.32 2.85 -3.64 1.61 2.85 -1.06 -5.01 118.16 115.43 1f6m n LYS 52 Ca 0.00 -2.05 -0.03 0.00 -1.05 0.00 0.00 58.31 55.17 1f6m n LYS 52 Cb 0.00 -1.29 -0.05 0.00 -0.65 0.00 0.00 35.03 33.03 1f6m n LYS 52 CO 0.00 0.00 0.00 -1.17 -0.05 0.00 0.00 177.40 176.18 1f6m s LEU 53 N -1.30 -0.09 -0.04 -5.58 2.96 -0.95 -4.84 118.68 108.84 1f6m s LEU 53 Ca 0.21 0.13 0.07 0.00 -0.22 0.00 0.00 54.13 54.32 1f6m s LEU 53 Cb 0.13 1.19 -0.02 0.00 0.50 0.00 0.00 46.19 47.99 1f6m s LEU 53 CO 0.11 -0.06 -0.25 -0.89 -1.32 0.00 0.00 176.35 173.94 1f6m s THR 54 N -0.57 2.01 -0.15 3.68 2.01 -0.53 -4.51 115.64 117.58 1f6m s THR 54 Ca 0.07 -1.07 -0.03 0.00 0.31 0.00 0.00 61.69 60.97 1f6m s THR 54 Cb -0.03 -1.69 -0.03 0.00 0.01 0.00 0.00 72.50 70.77 1f6m s THR 54 CO -0.10 0.57 -0.04 -0.69 -0.69 0.00 0.00 174.62 173.67 1f6m s VAL 55 N -0.40 3.88 -0.07 3.82 1.01 -1.26 0.18 120.40 127.55 1f6m s VAL 55 Ca 0.04 -0.37 -0.01 0.00 0.00 0.00 0.00 61.98 61.65 1f6m s VAL 55 Cb -0.11 -2.69 0.03 0.00 0.00 0.00 0.00 36.38 33.60 1f6m s VAL 55 CO 0.01 0.50 -0.02 0.00 0.00 0.00 0.00 175.10 175.59 1f6m s ALA 56 N 0.28 0.77 -0.46 5.51 0.00 0.74 -0.46 121.76 128.14 1f6m s ALA 56 Ca -0.03 -0.16 -0.17 0.00 0.00 0.00 0.00 51.96 51.60 1f6m s ALA 56 Cb -0.14 -0.69 0.05 0.00 0.00 0.00 0.00 23.12 22.34 1f6m s ALA 56 CO 0.03 -0.34 0.45 0.15 0.00 0.00 0.00 175.76 176.05 1f6m s LYS 57 N 1.68 3.05 -1.10 0.00 1.02 -0.35 0.23 119.74 124.27 1f6m s LYS 57 Ca 0.01 -1.01 -0.10 0.00 0.02 0.00 0.00 55.97 54.89 1f6m s LYS 57 Cb -0.13 -4.05 0.26 0.00 -0.52 0.00 0.00 37.83 33.39 1f6m s LYS 57 CO -0.04 -0.99 1.12 -1.17 -0.92 0.00 0.00 175.35 173.35 1f6m s LEU 58 N 2.05 6.24 0.61 3.17 2.96 -0.01 -2.58 118.68 131.12 1f6m s LEU 58 Ca 0.09 -3.47 -0.18 0.00 -0.22 0.00 0.00 54.13 50.35 1f6m s LEU 58 Cb -0.20 -2.23 -0.04 0.00 0.50 0.00 0.00 46.19 44.22 1f6m s LEU 58 CO 0.11 -0.36 1.04 -3.20 -1.32 0.00 0.00 176.35 172.62 1f6m n ASN 59 N 3.10 1.06 0.00 3.68 2.85 -1.26 -3.50 115.26 121.19 1f6m n ASN 59 Ca 0.24 0.81 0.00 0.00 -0.11 0.00 0.00 54.58 55.52 1f6m n ASN 59 Cb 0.40 -1.43 0.00 0.00 1.24 0.00 0.00 39.78 39.99 1f6m n ASN 59 CO 0.00 0.00 0.00 2.30 -2.11 0.00 0.00 177.26 177.45 1f6m n ILE 60 N -1.77 0.00 -0.26 -1.44 -5.35 -0.30 -4.17 119.36 106.07 1f6m n ILE 60 Ca 0.14 -0.50 0.07 0.00 -0.27 0.00 0.00 62.75 62.20 1f6m n ILE 60 Cb 0.47 1.00 0.21 0.00 -1.74 0.00 0.00 39.64 39.58 1f6m n ILE 60 CO 0.00 0.00 0.00 0.44 -1.76 0.00 0.00 176.55 175.23 1f6m h ASP 61 N 0.00 -0.01 -0.76 7.28 5.19 -1.92 -2.51 116.42 123.69 1f6m h ASP 61 Ca 0.00 0.16 -0.41 0.00 -0.62 0.00 0.00 57.03 56.17 1f6m h ASP 61 Cb 0.00 0.22 -0.41 0.00 0.18 0.00 0.00 39.33 39.32 1f6m h ASP 61 CO 0.00 -0.07 -0.98 0.00 -3.12 0.00 0.00 179.24 175.07 1f6m n GLN 62 N -5.18 2.48 -2.74 3.56 10.64 -1.26 -4.86 117.38 120.02 1f6m n GLN 62 Ca 0.16 -3.82 -0.07 0.00 -1.83 0.00 0.00 57.00 51.44 1f6m n GLN 62 Cb 0.51 -1.86 0.05 0.00 -0.86 0.00 0.00 30.24 28.08 1f6m n GLN 62 CO 0.00 0.00 0.00 0.09 -1.83 0.00 0.00 177.06 175.32 1f6m n ASN 63 N -0.54 -2.79 0.09 2.61 3.02 -0.94 -4.87 115.26 111.83 1f6m n ASN 63 Ca 0.24 -3.04 0.07 0.00 -0.03 0.00 0.00 54.58 51.81 1f6m n ASN 63 Cb 0.84 1.68 -0.01 0.00 -0.61 0.00 0.00 39.78 41.68 1f6m n ASN 63 CO 0.00 0.00 0.00 1.55 -2.62 0.00 0.00 177.26 176.19 1f6m h PRO 64 N 4.06 0.00 -0.21 3.52 0.13 -1.88 -3.38 132.00 134.24 1f6m h PRO 64 Ca -0.13 0.00 0.06 0.00 -0.87 0.00 0.00 66.00 65.06 1f6m h PRO 64 Cb 1.06 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.18 1f6m h PRO 64 CO 0.22 0.15 0.35 0.78 -0.23 0.00 0.00 178.00 179.26 1f6m h GLY 65 N 3.85 0.00 0.32 1.56 0.00 -1.95 -3.18 103.07 103.67 1f6m h GLY 65 Ca -0.06 0.00 -0.33 0.00 0.00 0.00 0.00 47.33 46.94 1f6m h GLY 65 CO 0.02 0.00 -1.84 2.41 0.00 0.00 0.00 176.54 177.13 1f6m n THR 66 N -3.41 1.66 -0.22 4.70 -1.04 -1.26 -4.46 114.28 110.25 1f6m n THR 66 Ca 0.03 -0.42 -0.03 0.00 -2.04 0.00 0.00 64.05 61.58 1f6m n THR 66 Cb 0.46 -1.82 0.04 0.00 -1.82 0.00 0.00 70.33 67.19 1f6m n THR 66 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1f6m h ALA 67 N -0.19 0.18 -0.42 2.41 0.00 -1.81 -2.27 119.26 117.15 1f6m h ALA 67 Ca -0.43 0.21 0.07 0.00 0.00 0.00 0.00 54.91 54.76 1f6m h ALA 67 Cb 1.76 0.68 -0.09 0.00 0.00 0.00 0.00 17.79 20.14 1f6m h ALA 67 CO -0.06 -0.57 -0.41 -1.35 0.00 0.00 0.00 179.25 176.86 1f6m h PRO 68 N -0.09 -0.30 -0.61 0.00 0.11 -1.79 -2.60 132.00 126.71 1f6m h PRO 68 Ca 0.28 0.02 0.23 0.00 0.11 0.00 0.00 66.00 66.64 1f6m h PRO 68 Cb 0.54 0.07 -0.08 0.00 0.11 0.00 0.00 31.00 31.64 1f6m h PRO 68 CO -0.70 -0.20 0.37 1.63 -0.21 0.00 0.00 178.00 178.89 1f6m n LYS 69 N -5.42 -0.02 -0.04 1.05 4.76 -0.85 0.11 118.16 117.75 1f6m n LYS 69 Ca -0.00 0.65 0.06 0.00 -2.87 0.00 0.00 58.31 56.15 1f6m n LYS 69 Cb 0.35 -1.24 0.07 0.00 -1.84 0.00 0.00 35.03 32.38 1f6m n LYS 69 CO 0.00 0.00 0.00 0.66 -1.37 0.00 0.00 177.40 176.69 1f6m n TYR 70 N -3.85 0.10 -2.35 2.13 4.02 -1.00 -4.99 117.16 111.22 1f6m n TYR 70 Ca 0.20 -0.10 -0.01 0.00 -0.01 0.00 0.00 57.90 57.98 1f6m n TYR 70 Cb 0.73 -0.00 0.00 0.00 -0.02 0.00 0.00 39.34 40.05 1f6m n TYR 70 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1f6m n GLY 71 N 0.65 0.72 3.34 2.72 0.00 0.31 -5.01 105.19 107.93 1f6m n GLY 71 Ca 0.08 -0.57 -0.46 0.00 0.00 0.00 0.00 46.02 45.07 1f6m n GLY 71 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1f6m s ILE 72 N -3.01 5.11 -0.66 -0.61 1.01 -1.13 -4.89 121.20 117.02 1f6m s ILE 72 Ca 0.01 -1.49 0.01 0.00 0.00 0.00 0.00 60.65 59.19 1f6m s ILE 72 Cb -0.01 -4.44 0.38 0.00 0.01 0.00 0.00 42.46 38.40 1f6m s ILE 72 CO 0.03 -1.03 1.63 0.54 0.00 0.00 0.00 174.94 176.11 1f6m n ARG 73 N 5.51 3.05 0.00 2.79 3.00 -1.26 -4.64 116.66 125.10 1f6m n ARG 73 Ca -0.05 -3.94 0.00 0.00 -0.01 0.00 0.00 57.85 53.85 1f6m n ARG 73 Cb 0.43 -2.26 0.00 0.00 0.00 0.00 0.00 32.46 30.62 1f6m n ARG 73 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1f6m n GLY 74 N -0.53 2.51 3.27 -0.13 0.00 -1.26 -5.18 105.19 103.88 1f6m n GLY 74 Ca 0.48 0.01 -0.18 0.00 0.00 0.00 0.00 46.02 46.34 1f6m n GLY 74 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1f6m s ILE 75 N -0.64 1.44 0.42 -0.61 -4.36 -1.26 -4.04 121.20 112.14 1f6m s ILE 75 Ca 0.00 -1.91 -0.22 0.00 -0.26 0.00 0.00 60.65 58.26 1f6m s ILE 75 Cb 0.00 -1.73 -0.11 0.00 1.25 0.00 0.00 42.46 41.87 1f6m s ILE 75 CO 0.00 -0.51 0.95 -2.16 0.24 0.00 0.00 174.94 173.47 1f6m s PRO 76 N -3.10 4.26 -0.05 0.37 0.04 -1.26 -4.82 135.00 130.44 1f6m s PRO 76 Ca 0.14 1.16 -0.00 0.00 0.04 0.00 0.00 61.00 62.34 1f6m s PRO 76 Cb -0.03 -2.26 0.03 0.00 0.04 0.00 0.00 34.50 32.28 1f6m s PRO 76 CO 0.04 -0.01 -0.01 0.99 0.04 0.00 0.00 177.00 178.05 1f6m s THR 77 N -2.09 0.38 -0.23 1.26 2.01 -1.21 -0.95 115.64 114.81 1f6m s THR 77 Ca 0.61 0.04 -0.08 0.00 0.31 0.00 0.00 61.69 62.57 1f6m s THR 77 Cb -0.11 -0.48 -0.04 0.00 0.01 0.00 0.00 72.50 71.88 1f6m s THR 77 CO 0.15 0.22 0.09 -0.76 -0.69 0.00 0.00 174.62 173.63 1f6m s LEU 78 N 1.43 3.73 -0.23 4.42 1.43 -0.18 -2.54 118.68 126.74 1f6m s LEU 78 Ca -0.03 -0.04 -0.05 0.00 -1.03 0.00 0.00 54.13 52.98 1f6m s LEU 78 Cb -0.13 -1.98 -0.02 0.00 0.03 0.00 0.00 46.19 44.09 1f6m s LEU 78 CO -0.03 0.06 -0.00 -0.76 0.23 0.00 0.00 176.35 175.85 1f6m s LEU 79 N 1.09 3.11 -0.90 1.79 1.02 -0.21 0.60 118.68 125.18 1f6m s LEU 79 Ca 0.05 -0.31 -0.18 0.00 0.02 0.00 0.00 54.13 53.71 1f6m s LEU 79 Cb -0.14 -1.81 0.15 0.00 0.02 0.00 0.00 46.19 44.41 1f6m s LEU 79 CO 0.04 -0.02 1.04 -0.22 0.02 0.00 0.00 176.35 177.21 1f6m s LEU 80 N 1.47 5.38 0.94 1.79 2.96 -0.37 -0.10 118.68 130.76 1f6m s LEU 80 Ca 0.05 -2.13 -0.13 0.00 -0.22 0.00 0.00 54.13 51.70 1f6m s LEU 80 Cb -0.15 -2.36 0.16 0.00 0.50 0.00 0.00 46.19 44.34 1f6m s LEU 80 CO -0.00 -0.98 1.13 -0.36 -1.32 0.00 0.00 176.35 174.82 1f6m s PHE 81 N 2.22 2.32 -0.42 5.38 0.08 -0.62 -0.15 117.98 126.80 1f6m s PHE 81 Ca 0.29 0.85 0.06 0.00 0.12 0.00 0.00 56.93 58.24 1f6m s PHE 81 Cb -0.07 -3.39 0.32 0.00 -0.57 0.00 0.00 43.02 39.32 1f6m s PHE 81 CO -0.09 -2.55 1.20 1.63 -0.10 0.00 0.00 175.22 175.32 1f6m n LYS 82 N -3.89 0.79 -1.97 0.44 5.02 -0.69 -3.04 118.16 114.81 1f6m n LYS 82 Ca 0.07 -1.59 -0.01 0.00 -2.02 0.00 0.00 58.31 54.76 1f6m n LYS 82 Cb 0.59 -0.75 0.00 0.00 -0.02 0.00 0.00 35.03 34.85 1f6m n LYS 82 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 1f6m n ASN 83 N 0.34 -3.93 -3.81 4.39 4.13 -1.26 -4.20 115.26 110.93 1f6m n ASN 83 Ca 0.02 0.08 -0.27 0.00 1.68 0.00 0.00 54.58 56.09 1f6m n ASN 83 Cb 0.72 -2.43 0.04 0.00 -1.54 0.00 0.00 39.78 36.57 1f6m n ASN 83 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1f6m n GLY 84 N -0.82 -0.45 2.99 7.41 0.00 -0.47 -4.88 105.19 108.96 1f6m n GLY 84 Ca 0.02 0.19 -0.10 0.00 0.00 0.00 0.00 46.02 46.13 1f6m n GLY 84 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1f6m s GLU 85 N -6.40 0.31 -0.27 1.61 2.56 -1.26 -5.07 118.70 110.19 1f6m s GLU 85 Ca 0.49 0.65 -0.29 0.00 0.00 0.00 0.00 54.97 55.81 1f6m s GLU 85 Cb -0.24 -0.31 -0.01 0.00 2.00 0.00 0.00 34.13 35.58 1f6m s GLU 85 CO 0.81 -0.51 1.35 0.08 -0.56 0.00 0.00 175.26 176.42 1f6m s VAL 86 N 2.53 4.09 -0.05 3.70 1.01 -1.26 -1.71 120.40 128.71 1f6m s VAL 86 Ca 0.08 1.24 0.04 0.00 0.00 0.00 0.00 61.98 63.34 1f6m s VAL 86 Cb -0.14 -4.06 -0.25 0.00 0.00 0.00 0.00 36.38 31.93 1f6m s VAL 86 CO -0.14 -0.40 0.63 0.00 0.00 0.00 0.00 175.10 175.19 1f6m h ALA 87 N 9.36 0.58 -2.99 5.51 0.00 -0.84 -3.49 119.26 127.39 1f6m h ALA 87 Ca -0.27 -1.37 0.01 0.00 0.00 0.00 0.00 54.91 53.27 1f6m h ALA 87 Cb 1.11 0.50 -0.01 0.00 0.00 0.00 0.00 17.79 19.39 1f6m h ALA 87 CO 1.02 1.42 0.27 0.00 0.00 0.00 0.00 179.25 181.96 1f6m s ALA 88 N -2.59 -0.87 -0.25 0.00 0.00 -1.21 -5.00 121.76 111.83 1f6m s ALA 88 Ca -0.10 -0.64 -0.23 0.00 0.00 0.00 0.00 51.96 50.99 1f6m s ALA 88 Cb 0.07 0.72 0.07 0.00 0.00 0.00 0.00 23.12 23.98 1f6m s ALA 88 CO 0.81 -1.00 0.67 0.95 0.00 0.00 0.00 175.76 177.19 1f6m s THR 89 N -2.69 -0.00 -0.28 0.00 -4.23 -1.25 -1.24 115.64 105.95 1f6m s THR 89 Ca 0.14 0.00 0.00 0.00 -1.18 0.00 0.00 61.69 60.66 1f6m s THR 89 Cb -0.05 -0.93 0.08 0.00 1.34 0.00 0.00 72.50 72.94 1f6m s THR 89 CO 0.10 0.00 0.03 -0.75 -0.54 0.00 0.00 174.62 173.47 1f6m s LYS 90 N 0.46 1.15 -0.20 3.99 2.36 0.20 -4.93 119.74 122.78 1f6m s LYS 90 Ca -0.01 -1.14 -0.18 0.00 -2.55 0.00 0.00 55.97 52.09 1f6m s LYS 90 Cb -0.05 -2.44 -0.03 0.00 -1.05 0.00 0.00 37.83 34.26 1f6m s LYS 90 CO -0.01 -0.82 0.49 0.08 1.55 0.00 0.00 175.35 176.64 1f6m s VAL 91 N 1.43 5.13 0.00 4.02 1.01 -1.26 -1.02 120.40 129.71 1f6m s VAL 91 Ca 0.04 0.89 0.00 0.00 0.00 0.00 0.00 61.98 62.91 1f6m s VAL 91 Cb -0.18 -3.81 0.00 0.00 0.00 0.00 0.00 36.38 32.39 1f6m s VAL 91 CO -0.14 0.19 0.00 0.61 0.00 0.00 0.00 175.10 175.76 1f6m n GLY 92 N 3.92 2.46 3.81 4.51 0.00 -0.12 -5.02 105.19 114.75 1f6m n GLY 92 Ca -0.06 -2.08 -0.30 0.00 0.00 0.00 0.00 46.02 43.58 1f6m n GLY 92 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1f6m s ALA 93 N -2.23 1.68 0.00 4.61 0.00 -1.26 -4.77 121.76 119.79 1f6m s ALA 93 Ca 0.00 -1.08 0.00 0.00 0.00 0.00 0.00 51.96 50.88 1f6m s ALA 93 Cb 0.00 -2.82 0.00 0.00 0.00 0.00 0.00 23.12 20.30 1f6m s ALA 93 CO 0.00 -2.81 0.00 1.47 0.00 0.00 0.00 175.76 174.42 1f6m n LEU 94 N -4.10 0.00 -4.96 0.00 -0.00 -1.26 -5.06 117.00 101.62 1f6m n LEU 94 Ca 0.14 0.00 -0.28 0.00 -0.00 0.00 0.00 56.01 55.87 1f6m n LEU 94 Cb 0.59 0.00 0.17 0.00 -0.00 0.00 0.00 43.42 44.19 1f6m n LEU 94 CO 0.46 0.00 0.78 -0.94 -0.00 0.00 0.00 177.39 177.69 1f6m s SER 95 N 0.00 3.36 0.13 1.45 1.04 -1.26 -4.84 113.70 113.58 1f6m s SER 95 Ca 0.00 -0.01 -0.17 0.00 0.48 0.00 0.00 55.95 56.25 1f6m s SER 95 Cb 0.00 -0.08 -0.02 0.00 0.10 0.00 0.00 66.02 66.02 1f6m s SER 95 CO 0.00 -2.55 1.71 0.50 0.98 0.00 0.00 173.24 173.88 1f6m h LYS 96 N -1.35 0.49 -0.99 4.02 3.64 -1.99 -1.82 116.57 118.57 1f6m h LYS 96 Ca -0.41 -0.07 0.01 0.00 -1.27 0.00 0.00 60.65 58.91 1f6m h LYS 96 Cb 1.23 -0.09 -0.05 0.00 -0.41 0.00 0.00 32.23 32.91 1f6m h LYS 96 CO 0.36 0.44 0.65 0.78 -2.27 0.00 0.00 179.45 179.41 1f6m h GLY 97 N 0.43 1.39 0.29 5.01 0.00 -1.99 -1.27 103.07 106.93 1f6m h GLY 97 Ca 0.12 -0.52 -0.00 0.00 0.00 0.00 0.00 47.33 46.93 1f6m h GLY 97 CO -0.02 0.51 -0.50 1.46 0.00 0.00 0.00 176.54 177.99 1f6m h GLN 98 N 1.34 -0.81 -0.76 4.80 1.08 -1.80 0.35 115.11 119.31 1f6m h GLN 98 Ca 0.36 0.06 0.08 0.00 -1.45 0.00 0.00 58.65 57.70 1f6m h GLN 98 Cb -0.15 0.19 -0.07 0.00 -0.05 0.00 0.00 27.48 27.39 1f6m h GLN 98 CO -0.08 -0.54 0.42 1.25 -0.95 0.00 0.00 178.83 178.93 1f6m h LEU 99 N -0.85 0.60 -0.55 1.46 5.85 -1.09 -1.93 115.31 118.81 1f6m h LEU 99 Ca -0.03 0.04 -0.09 0.00 0.84 0.00 0.00 57.88 58.64 1f6m h LEU 99 Cb 0.79 -0.07 -0.02 0.00 0.37 0.00 0.00 40.66 41.73 1f6m h LEU 99 CO -0.18 0.36 -0.00 0.11 -0.34 0.00 0.00 178.44 178.39 1f6m h LYS 100 N 0.73 0.96 0.00 1.25 1.57 -0.90 -0.20 116.57 119.99 1f6m h LYS 100 Ca 0.36 -0.31 0.00 0.00 -1.87 0.00 0.00 60.65 58.83 1f6m h LYS 100 Cb 0.30 -0.09 0.00 0.00 0.08 0.00 0.00 32.23 32.53 1f6m h LYS 100 CO -0.23 0.97 0.00 1.49 -0.57 0.00 0.00 179.45 181.11 1f6m h GLU 101 N 0.84 0.00 0.08 3.15 4.81 0.47 0.25 114.58 124.19 1f6m h GLU 101 Ca 0.15 0.00 -0.34 0.00 -0.13 0.00 0.00 59.36 59.05 1f6m h GLU 101 Cb 0.54 0.00 -0.03 0.00 0.63 0.00 0.00 28.75 29.89 1f6m h GLU 101 CO 0.03 0.00 -1.85 0.34 -0.73 0.00 0.00 179.01 176.79 1f6m n PHE 102 N -3.02 1.10 -0.14 0.92 -0.00 -0.83 -3.01 117.46 112.48 1f6m n PHE 102 Ca -0.03 0.29 -0.03 0.00 -0.00 0.00 0.00 57.45 57.68 1f6m n PHE 102 Cb 0.09 -1.14 0.17 0.00 -0.00 0.00 0.00 39.48 38.61 1f6m n PHE 102 CO 0.00 0.00 0.00 -0.07 -0.00 0.00 0.00 176.76 176.69 1f6m h LEU 103 N -0.23 0.81 0.15 -2.13 3.38 -0.08 -2.28 115.31 114.93 1f6m h LEU 103 Ca -0.42 -0.15 -0.01 0.00 0.09 0.00 0.00 57.88 57.39 1f6m h LEU 103 Cb 1.83 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 42.37 1f6m h LEU 103 CO -0.01 0.80 -0.07 0.44 0.09 0.00 0.00 178.44 179.68 1f6m h ASP 104 N 0.83 -0.17 -0.77 -0.43 3.32 -0.71 0.55 116.42 119.04 1f6m h ASP 104 Ca 0.18 -0.35 0.22 0.00 0.02 0.00 0.00 57.03 57.10 1f6m h ASP 104 Cb 0.31 0.05 -0.03 0.00 0.22 0.00 0.00 39.33 39.87 1f6m h ASP 104 CO -0.00 0.40 0.78 0.00 -1.72 0.00 0.00 179.24 178.70 1f6m h ALA 105 N -0.38 2.59 -3.00 3.45 0.00 -1.52 -3.24 119.26 117.16 1f6m h ALA 105 Ca -0.02 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.86 1f6m h ALA 105 Cb 0.51 0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.36 1f6m h ALA 105 CO 0.03 -1.18 0.00 0.09 0.00 0.00 0.00 179.25 178.20 1f6m n ASN 106 N -3.64 0.00 -3.50 0.00 3.02 -0.86 -5.03 115.26 105.25 1f6m n ASN 106 Ca 0.16 0.00 -0.32 0.00 -0.03 0.00 0.00 54.58 54.39 1f6m n ASN 106 Cb 1.04 0.00 0.02 0.00 -0.61 0.00 0.00 39.78 40.23 1f6m n ASN 106 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 1f6m n LEU 107 N -1.25 -3.75 0.00 3.41 4.32 0.18 -5.09 117.00 114.83 1f6m n LEU 107 Ca 0.00 0.42 0.00 0.00 -0.02 0.00 0.00 56.01 56.41 1f6m n LEU 107 Cb 0.00 -0.69 0.00 0.00 -1.62 0.00 0.00 43.42 41.11 1f6m n LEU 107 CO 0.00 -4.38 0.00 0.00 -1.22 0.00 0.00 177.39 171.79