#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 0.06 -0.06 -3.46 5.75 -1.26 -4.85 116.55 112.73 1f6m n ASP 2 Ca 0.00 -0.32 -0.11 0.00 -0.01 0.00 0.00 54.79 54.35 1f6m n ASP 2 Cb 0.00 0.25 -0.05 0.00 -1.03 0.00 0.00 41.12 40.29 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 -0.25 0.29 -1.52 0.11 5.02 -1.26 -4.95 118.16 115.61 1f6m n LYS 3 Ca 0.00 0.09 -0.46 0.00 -2.02 0.00 0.00 58.31 55.93 1f6m n LYS 3 Cb 0.03 -1.12 -0.05 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 -3.17 0.20 -2.07 -0.18 2.08 -1.26 -4.75 119.36 110.22 1f6m n ILE 4 Ca -0.23 -0.39 -0.40 0.00 0.56 0.00 0.00 62.75 62.28 1f6m n ILE 4 Cb 0.71 -2.09 -0.03 0.00 -0.75 0.00 0.00 39.64 37.48 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 8.39 3.44 -1.25 1.39 -1.09 0.40 -4.79 121.20 127.69 1f6m s ILE 5 Ca 1.06 0.35 -0.20 0.00 -2.23 0.00 0.00 60.65 59.63 1f6m s ILE 5 Cb -0.59 -3.90 -0.00 0.00 -1.58 0.00 0.00 42.46 36.39 1f6m s ILE 5 CO 0.41 -0.78 1.83 1.41 -1.23 0.00 0.00 174.94 176.59 1f6m n HIS 6 N 11.68 3.77 -0.41 3.97 8.25 -1.26 -1.16 115.22 140.06 1f6m n HIS 6 Ca 0.20 -2.22 -0.24 0.00 -0.26 0.00 0.00 57.72 55.21 1f6m n HIS 6 Cb 0.50 -2.62 0.21 0.00 1.12 0.00 0.00 29.99 29.20 1f6m n HIS 6 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 1f6m n LEU 7 N 11.04 -1.00 -3.74 2.41 4.77 -1.06 -4.97 117.00 124.45 1f6m n LEU 7 Ca 0.47 -0.56 -0.12 0.00 -0.03 0.00 0.00 56.01 55.77 1f6m n LEU 7 Cb 0.46 -0.89 -0.11 0.00 -2.33 0.00 0.00 43.42 40.55 1f6m n LEU 7 CO 0.73 -3.79 0.01 0.42 -1.33 0.00 0.00 177.39 173.43 1f6m s THR 8 N -2.11 -0.01 0.12 -5.08 -4.23 -1.25 -4.69 115.64 98.39 1f6m s THR 8 Ca 0.51 0.04 -0.15 0.00 -1.18 0.00 0.00 61.69 60.90 1f6m s THR 8 Cb -0.10 -0.51 0.05 0.00 1.34 0.00 0.00 72.50 73.28 1f6m s THR 8 CO 0.45 0.02 0.97 0.47 -0.54 0.00 0.00 174.62 175.98 1f6m n ASP 9 N 3.36 -0.54 0.04 3.99 10.43 -1.26 -1.46 116.55 131.10 1f6m n ASP 9 Ca -0.17 1.10 -0.02 0.00 2.57 0.00 0.00 54.79 58.28 1f6m n ASP 9 Cb 0.56 -0.19 -0.01 0.00 1.84 0.00 0.00 41.12 43.32 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 -0.14 0.00 -2.24 5.19 -1.99 -3.24 116.42 114.01 1f6m h ASP 10 Ca 0.16 0.01 -0.61 0.00 -0.62 0.00 0.00 57.03 55.96 1f6m h ASP 10 Cb 0.31 0.04 0.04 0.00 0.18 0.00 0.00 39.33 39.90 1f6m h ASP 10 CO -0.60 -0.07 2.41 -1.54 -3.12 0.00 0.00 179.24 176.31 1f6m n SER 11 N -2.53 3.00 0.00 6.45 3.41 -0.54 -4.29 113.62 119.13 1f6m n SER 11 Ca -0.01 -2.63 0.00 0.00 -0.26 0.00 0.00 58.87 55.96 1f6m n SER 11 Cb 0.05 -1.15 0.00 0.00 -0.26 0.00 0.00 64.21 62.85 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 6.85 0.00 -0.23 7.33 7.35 -1.20 -3.92 117.46 133.64 1f6m n PHE 12 Ca 0.49 0.00 0.17 0.00 -0.76 0.00 0.00 57.45 57.35 1f6m n PHE 12 Cb 0.36 0.00 0.49 0.00 0.35 0.00 0.00 39.48 40.68 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 0.44 0.15 -2.13 1.82 -1.85 1.42 116.42 116.27 1f6m h ASP 13 Ca 0.00 0.04 0.00 0.00 -0.39 0.00 0.00 57.03 56.68 1f6m h ASP 13 Cb 0.00 -0.05 0.00 0.00 0.68 0.00 0.00 39.33 39.96 1f6m h ASP 13 CO 0.00 0.20 0.00 0.35 -1.61 0.00 0.00 179.24 178.18 1f6m n THR 14 N -4.51 0.28 0.01 2.25 -2.24 -1.26 -0.62 114.28 108.19 1f6m n THR 14 Ca 0.18 0.07 0.00 0.00 -2.27 0.00 0.00 64.05 62.03 1f6m n THR 14 Cb 0.62 -0.81 0.00 0.00 -2.10 0.00 0.00 70.33 68.04 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 -1.14 0.20 0.01 3.42 10.43 0.45 -4.61 116.55 125.31 1f6m n ASP 15 Ca 0.10 0.04 -0.18 0.00 2.57 0.00 0.00 54.79 57.31 1f6m n ASP 15 Cb 0.09 -0.05 -0.11 0.00 1.84 0.00 0.00 41.12 42.89 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 1.40 0.01 2.53 2.07 -0.57 -2.78 116.25 118.91 1f6m h VAL 16 Ca 0.00 -2.13 -0.20 0.00 0.82 0.00 0.00 66.70 65.19 1f6m h VAL 16 Cb 0.00 2.58 -0.02 0.00 -1.52 0.00 0.00 31.29 32.33 1f6m h VAL 16 CO 0.00 0.63 -0.92 -0.07 0.02 0.00 0.00 177.57 177.22 1f6m h LEU 17 N -0.02 0.09 0.00 2.57 4.07 -1.61 -3.35 115.31 117.07 1f6m h LEU 17 Ca -0.09 -0.09 -0.13 0.00 0.08 0.00 0.00 57.88 57.65 1f6m h LEU 17 Cb 1.40 -0.03 -0.02 0.00 1.08 0.00 0.00 40.66 43.09 1f6m h LEU 17 CO 0.14 0.96 -1.09 2.29 -1.08 0.00 0.00 178.44 179.66 1f6m n LYS 18 N -3.52 0.52 -1.69 1.13 2.85 0.21 -1.38 118.16 116.28 1f6m n LYS 18 Ca -0.02 0.46 -0.55 0.00 -1.05 0.00 0.00 58.31 57.15 1f6m n LYS 18 Cb 0.86 -1.64 -0.07 0.00 -0.65 0.00 0.00 35.03 33.53 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 0.12 -0.99 0.58 0.00 -1.05 -4.87 120.51 110.51 1f6m n ALA 19 Ca -0.22 0.34 -0.33 0.00 0.00 0.00 0.00 53.44 53.23 1f6m n ALA 19 Cb 0.52 -2.30 0.14 0.00 0.00 0.00 0.00 19.45 17.80 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 3.86 3.39 0.00 0.00 -4.77 -1.26 -4.56 116.67 113.33 1f6m s ASP 20 Ca 0.98 2.33 0.00 0.00 -3.30 0.00 0.00 52.55 52.55 1f6m s ASP 20 Cb -0.98 -2.58 0.00 0.00 -1.09 0.00 0.00 42.92 38.27 1f6m s ASP 20 CO 0.62 -2.80 0.00 0.61 0.70 0.00 0.00 175.17 174.30 1f6m n GLY 21 N 0.43 2.51 3.58 2.12 0.00 -1.26 -4.93 105.19 107.63 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 -2.73 2.95 -0.19 4.61 0.00 -1.26 -4.28 121.76 120.86 1f6m s ALA 22 Ca 0.00 -0.78 -0.02 0.00 0.00 0.00 0.00 51.96 51.15 1f6m s ALA 22 Cb 0.00 -4.06 -0.01 0.00 0.00 0.00 0.00 23.12 19.05 1f6m s ALA 22 CO 0.00 -2.73 -0.08 -1.50 0.00 0.00 0.00 175.76 171.45 1f6m s ILE 23 N 5.24 3.23 -0.06 0.00 2.07 -1.18 -1.47 121.20 129.03 1f6m s ILE 23 Ca 0.45 -0.56 -0.24 0.00 -1.41 0.00 0.00 60.65 58.89 1f6m s ILE 23 Cb -0.08 -2.43 -0.04 0.00 0.13 0.00 0.00 42.46 40.05 1f6m s ILE 23 CO 0.25 0.47 0.75 -0.22 -1.91 0.00 0.00 174.94 174.28 1f6m s LEU 24 N 1.03 4.33 -0.19 8.50 2.96 0.40 -1.55 118.68 134.16 1f6m s LEU 24 Ca -0.00 1.27 -0.04 0.00 -0.22 0.00 0.00 54.13 55.14 1f6m s LEU 24 Cb -0.15 -3.16 -0.02 0.00 0.50 0.00 0.00 46.19 43.36 1f6m s LEU 24 CO -0.01 -0.14 -0.05 -0.69 -1.32 0.00 0.00 176.35 174.15 1f6m s VAL 25 N 0.83 3.56 -0.44 1.68 1.01 0.78 -0.22 120.40 127.61 1f6m s VAL 25 Ca 0.40 -0.45 -0.08 0.00 0.00 0.00 0.00 61.98 61.85 1f6m s VAL 25 Cb -0.18 -2.59 0.10 0.00 0.00 0.00 0.00 36.38 33.71 1f6m s VAL 25 CO 0.20 0.45 0.28 -0.62 0.00 0.00 0.00 175.10 175.41 1f6m s ASP 26 N 0.97 5.59 -0.28 3.32 2.15 0.14 -1.13 116.67 127.42 1f6m s ASP 26 Ca 0.00 -1.77 -0.26 0.00 0.43 0.00 0.00 52.55 50.95 1f6m s ASP 26 Cb -0.15 -1.97 0.01 0.00 -0.30 0.00 0.00 42.92 40.51 1f6m s ASP 26 CO 0.01 -0.60 0.93 -0.36 -0.17 0.00 0.00 175.17 174.97 1f6m s PHE 27 N 1.35 3.23 0.34 -5.34 0.40 -1.05 -0.97 117.98 115.93 1f6m s PHE 27 Ca 0.05 1.11 0.06 0.00 -0.60 0.00 0.00 56.93 57.56 1f6m s PHE 27 Cb -0.24 -3.33 -0.02 0.00 0.51 0.00 0.00 43.02 39.93 1f6m s PHE 27 CO -0.00 -0.58 0.32 -2.67 0.70 0.00 0.00 175.22 172.99 1f6m n TRP 28 N 6.38 -0.90 -3.63 0.36 4.27 -1.23 -3.31 117.44 119.38 1f6m n TRP 28 Ca 0.08 -2.76 -0.13 0.00 -3.89 0.00 0.00 57.50 50.80 1f6m n TRP 28 Cb 0.47 0.33 -0.07 0.00 -1.36 0.00 0.00 31.31 30.69 1f6m n TRP 28 CO 0.00 0.00 0.00 0.00 -2.29 0.00 0.00 177.69 175.40 1f6m s ALA 29 N -3.28 -1.80 -1.66 -1.67 0.00 -1.26 -1.26 121.76 110.83 1f6m s ALA 29 Ca 0.39 2.03 0.02 0.00 0.00 0.00 0.00 51.96 54.39 1f6m s ALA 29 Cb 0.02 -1.21 0.09 0.00 0.00 0.00 0.00 23.12 22.01 1f6m s ALA 29 CO 0.27 -0.33 0.75 0.39 0.00 0.00 0.00 175.76 176.84 1f6m n GLU 30 N 2.69 0.03 -0.01 0.00 -0.58 -1.26 -0.95 120.64 120.57 1f6m n GLU 30 Ca -0.14 0.16 0.09 0.00 -0.42 0.00 0.00 57.16 56.85 1f6m n GLU 30 Cb 0.55 -1.50 -0.13 0.00 -0.57 0.00 0.00 31.44 29.80 1f6m n GLU 30 CO 0.00 0.00 0.00 -2.67 -0.48 0.00 0.00 177.13 173.98 1f6m n TRP 31 N -1.17 0.00 -3.35 -0.32 2.14 -1.26 -4.81 117.44 108.67 1f6m n TRP 31 Ca 0.01 0.00 -0.45 0.00 2.07 0.00 0.00 57.50 59.13 1f6m n TRP 31 Cb 0.01 -0.27 -0.06 0.00 -0.81 0.00 0.00 31.31 30.18 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 8.82 -1.45 -1.20 0.00 0.00 -1.87 0.30 103.07 107.66 1f6m h GLY 33 Ca -0.29 0.73 0.42 0.00 0.00 0.00 0.00 47.33 48.20 1f6m h GLY 33 CO 0.99 -0.44 1.20 -2.55 0.00 0.00 0.00 176.54 175.73 1f6m h PRO 34 N -0.22 0.00 -0.01 4.80 0.11 -1.94 0.30 132.00 135.04 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 0.28 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.39 1f6m h PRO 34 CO -0.23 0.00 -0.01 0.77 -0.21 0.00 0.00 178.00 178.32 1f6m h SER 35 N 0.00 0.03 0.52 -2.05 0.02 -1.24 -3.12 113.55 107.71 1f6m h SER 35 Ca 0.69 -0.42 0.00 0.00 -0.84 0.00 0.00 61.79 61.22 1f6m h SER 35 Cb 3.07 -0.01 0.00 0.00 0.14 0.00 0.00 62.40 65.61 1f6m h SER 35 CO -0.01 0.44 -0.02 2.29 -1.14 0.00 0.00 176.83 178.40 1f6m n LYS 36 N -4.87 0.48 0.00 3.45 2.85 0.91 -3.00 118.16 117.99 1f6m n LYS 36 Ca -0.08 -0.03 0.13 0.00 -1.05 0.00 0.00 58.31 57.28 1f6m n LYS 36 Cb 0.23 -1.50 0.47 0.00 -0.65 0.00 0.00 35.03 33.57 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 -1.23 0.57 -0.01 -1.58 1.56 -0.42 -3.53 117.12 112.48 1f6m n MET 37 Ca 0.14 -0.27 -0.15 0.00 -0.27 0.00 0.00 57.70 57.15 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 -0.98 1.69 -0.25 1.12 5.41 -1.16 -4.41 119.36 120.79 1f6m n ILE 38 Ca 0.12 -0.72 0.05 0.00 1.00 0.00 0.00 62.75 63.19 1f6m n ILE 38 Cb 0.32 -1.38 0.12 0.00 -0.71 0.00 0.00 39.64 37.98 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 -2.79 0.20 0.36 -1.39 0.00 -1.23 -0.80 120.51 114.87 1f6m n ALA 39 Ca -0.25 0.77 -0.18 0.00 0.00 0.00 0.00 53.44 53.77 1f6m n ALA 39 Cb 1.05 -0.48 -0.09 0.00 0.00 0.00 0.00 19.45 19.93 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 -0.97 -0.64 0.00 0.11 -1.81 -2.85 132.00 125.84 1f6m h PRO 40 Ca 0.35 0.07 0.14 0.00 0.11 0.00 0.00 66.00 66.67 1f6m h PRO 40 Cb 0.58 0.22 -0.04 0.00 0.11 0.00 0.00 31.00 31.87 1f6m h PRO 40 CO -0.71 -0.65 0.44 0.82 -0.21 0.00 0.00 178.00 177.69 1f6m h ILE 41 N -1.01 0.80 0.00 4.15 2.04 -1.22 -0.29 117.51 121.98 1f6m h ILE 41 Ca -0.08 -0.10 -0.07 0.00 1.00 0.00 0.00 64.86 65.61 1f6m h ILE 41 Cb 0.82 0.50 -0.01 0.00 -0.74 0.00 0.00 36.82 37.39 1f6m h ILE 41 CO 0.07 0.05 -0.34 -0.07 0.00 0.00 0.00 178.15 177.86 1f6m h LEU 42 N 0.28 0.00 0.29 1.44 3.38 -1.13 -2.78 115.31 116.78 1f6m h LEU 42 Ca 0.31 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.26 1f6m h LEU 42 Cb 0.82 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.57 1f6m h LEU 42 CO -0.07 0.34 -0.14 0.44 0.09 0.00 0.00 178.44 179.10 1f6m h ASP 43 N 0.00 -0.33 0.00 -0.43 3.45 -0.89 -0.61 116.42 117.62 1f6m h ASP 43 Ca -0.00 -0.20 0.00 0.00 0.43 0.00 0.00 57.03 57.26 1f6m h ASP 43 Cb 0.61 0.08 0.00 0.00 -0.56 0.00 0.00 39.33 39.46 1f6m h ASP 43 CO 0.04 0.06 0.00 -0.62 -1.57 0.00 0.00 179.24 177.15 1f6m n GLU 44 N -5.10 0.48 0.00 3.56 1.02 -1.11 -1.42 120.64 118.06 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 0.26 -1.22 0.00 0.00 -0.02 0.00 0.00 31.44 30.46 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 0.22 0.00 0.10 -3.67 2.08 -0.99 -3.83 119.36 113.27 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 0.11 -0.54 0.36 0.00 -0.75 0.00 0.00 39.64 38.82 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 1.45 0.00 -1.39 0.00 0.08 0.29 119.26 119.69 1f6m h ALA 46 Ca 0.00 -0.22 -0.18 0.00 0.00 0.00 0.00 54.91 54.50 1f6m h ALA 46 Cb 0.79 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.46 1f6m h ALA 46 CO 0.00 0.38 -1.00 -0.44 0.00 0.00 0.00 179.25 178.19 1f6m h ASP 47 N 0.25 0.00 0.17 0.00 5.19 -1.74 -2.36 116.42 117.93 1f6m h ASP 47 Ca 0.05 -0.58 0.00 0.00 -0.62 0.00 0.00 57.03 55.88 1f6m h ASP 47 Cb 0.41 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.92 1f6m h ASP 47 CO 0.02 1.37 0.00 -0.62 -3.12 0.00 0.00 179.24 176.90 1f6m n GLU 48 N -4.47 0.40 -0.29 3.56 1.02 -1.18 -2.87 120.64 116.81 1f6m n GLU 48 Ca -0.27 0.06 0.00 0.00 -0.02 0.00 0.00 57.16 56.93 1f6m n GLU 48 Cb 0.63 -1.50 0.00 0.00 -0.02 0.00 0.00 31.44 30.55 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 -1.15 0.00 -0.73 -0.32 4.02 1.00 -4.97 117.16 115.01 1f6m n TYR 49 Ca 0.11 0.00 -0.32 0.00 -0.01 0.00 0.00 57.90 57.67 1f6m n TYR 49 Cb 0.10 -0.02 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 -0.79 0.00 -0.72 7.27 -0.89 -2.23 117.38 120.03 1f6m n GLN 50 Ca 0.00 -0.19 0.00 0.00 0.07 0.00 0.00 57.00 56.88 1f6m n GLN 50 Cb 0.61 -1.89 0.00 0.00 2.41 0.00 0.00 30.24 31.37 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 1.48 0.64 0.56 1.69 0.00 -1.26 -4.32 105.19 103.97 1f6m n GLY 51 Ca 0.05 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 -0.26 2.87 -3.64 1.61 2.85 -1.04 -5.01 118.16 115.53 1f6m n LYS 52 Ca 0.00 -2.07 -0.03 0.00 -1.05 0.00 0.00 58.31 55.16 1f6m n LYS 52 Cb 0.00 -1.30 -0.05 0.00 -0.65 0.00 0.00 35.03 33.02 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 -1.26 -0.08 -0.03 -5.58 2.96 -0.94 -4.84 118.68 108.90 1f6m s LEU 53 Ca 0.22 0.12 0.08 0.00 -0.22 0.00 0.00 54.13 54.33 1f6m s LEU 53 Cb 0.13 1.18 -0.02 0.00 0.50 0.00 0.00 46.19 47.99 1f6m s LEU 53 CO 0.12 -0.05 -0.26 -0.89 -1.32 0.00 0.00 176.35 173.95 1f6m s THR 54 N -0.56 2.06 -0.15 3.68 2.01 -0.54 -4.50 115.64 117.64 1f6m s THR 54 Ca 0.07 -1.10 -0.03 0.00 0.31 0.00 0.00 61.69 60.95 1f6m s THR 54 Cb -0.03 -1.71 -0.02 0.00 0.01 0.00 0.00 72.50 70.75 1f6m s THR 54 CO -0.10 0.58 -0.06 -0.69 -0.69 0.00 0.00 174.62 173.66 1f6m s VAL 55 N -0.50 3.72 -0.07 3.82 1.01 -1.26 0.15 120.40 127.26 1f6m s VAL 55 Ca 0.07 -0.42 -0.01 0.00 0.00 0.00 0.00 61.98 61.61 1f6m s VAL 55 Cb -0.11 -2.61 0.03 0.00 0.00 0.00 0.00 36.38 33.69 1f6m s VAL 55 CO 0.00 0.51 -0.02 0.00 0.00 0.00 0.00 175.10 175.59 1f6m s ALA 56 N 0.30 0.80 -0.48 5.51 0.00 0.69 -0.45 121.76 128.13 1f6m s ALA 56 Ca -0.05 -0.19 -0.18 0.00 0.00 0.00 0.00 51.96 51.55 1f6m s ALA 56 Cb -0.14 -0.73 0.05 0.00 0.00 0.00 0.00 23.12 22.30 1f6m s ALA 56 CO 0.03 -0.40 0.51 0.15 0.00 0.00 0.00 175.76 176.06 1f6m s LYS 57 N 1.80 3.07 -1.14 0.00 1.02 -0.31 0.25 119.74 124.43 1f6m s LYS 57 Ca 0.03 -1.00 -0.10 0.00 0.02 0.00 0.00 55.97 54.92 1f6m s LYS 57 Cb -0.13 -4.08 0.25 0.00 -0.52 0.00 0.00 37.83 33.36 1f6m s LYS 57 CO -0.05 -1.08 1.21 -0.11 -0.92 0.00 0.00 175.35 174.40 1f6m n LEU 58 N 5.75 5.48 -4.62 3.17 7.94 -0.15 -2.57 117.00 132.00 1f6m n LEU 58 Ca -0.08 -4.90 -0.38 0.00 -1.11 0.00 0.00 56.01 49.54 1f6m n LEU 58 Cb 0.45 -1.51 0.05 0.00 0.53 0.00 0.00 43.42 42.95 1f6m n LEU 58 CO 0.50 1.20 0.57 -3.20 -1.11 0.00 0.00 177.39 175.35 1f6m n ASN 59 N 3.38 0.86 0.00 1.96 2.85 -1.26 -3.54 115.26 119.51 1f6m n ASN 59 Ca 0.27 0.81 0.00 0.00 -0.11 0.00 0.00 54.58 55.55 1f6m n ASN 59 Cb 0.40 -1.40 0.00 0.00 1.24 0.00 0.00 39.78 40.02 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 -1.73 0.00 -0.27 -1.44 -5.35 -0.39 -4.16 119.36 106.02 1f6m n ILE 60 Ca 0.14 -0.49 0.08 0.00 -0.27 0.00 0.00 62.75 62.21 1f6m n ILE 60 Cb 0.47 1.02 0.22 0.00 -1.74 0.00 0.00 39.64 39.61 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 0.05 -0.75 7.28 5.19 -1.92 -2.52 116.42 123.75 1f6m h ASP 61 Ca 0.00 0.16 -0.40 0.00 -0.62 0.00 0.00 57.03 56.17 1f6m h ASP 61 Cb 0.01 0.20 -0.41 0.00 0.18 0.00 0.00 39.33 39.31 1f6m h ASP 61 CO 0.00 -0.05 -0.99 0.00 -3.12 0.00 0.00 179.24 175.08 1f6m n GLN 62 N -5.15 2.45 -2.74 3.56 10.64 -1.26 -4.86 117.38 120.01 1f6m n GLN 62 Ca 0.17 -3.80 -0.07 0.00 -1.83 0.00 0.00 57.00 51.47 1f6m n GLN 62 Cb 0.53 -1.84 0.05 0.00 -0.86 0.00 0.00 30.24 28.11 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 -2.82 0.09 2.61 3.02 -0.95 -4.88 115.26 111.80 1f6m n ASN 63 Ca 0.23 -3.03 0.07 0.00 -0.03 0.00 0.00 54.58 51.81 1f6m n ASN 63 Cb 0.84 1.69 -0.02 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 4.10 0.00 -0.19 3.52 0.13 -1.87 -3.38 132.00 134.30 1f6m h PRO 64 Ca -0.12 0.00 0.06 0.00 -0.87 0.00 0.00 66.00 65.07 1f6m h PRO 64 Cb 1.06 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.19 1f6m h PRO 64 CO 0.21 0.14 0.33 0.78 -0.23 0.00 0.00 178.00 179.23 1f6m h GLY 65 N 3.86 0.00 0.33 1.56 0.00 -1.95 -3.19 103.07 103.68 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 -1.81 2.41 0.00 0.00 0.00 176.54 177.16 1f6m n THR 66 N -3.41 1.67 -0.23 4.70 -1.04 -1.26 -4.45 114.28 110.25 1f6m n THR 66 Ca 0.02 -0.42 -0.03 0.00 -2.04 0.00 0.00 64.05 61.58 1f6m n THR 66 Cb 0.44 -1.83 0.03 0.00 -1.82 0.00 0.00 70.33 67.15 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 0.10 -0.47 2.41 0.00 -1.81 -2.19 119.26 117.11 1f6m h ALA 67 Ca -0.43 0.20 0.08 0.00 0.00 0.00 0.00 54.91 54.77 1f6m h ALA 67 Cb 1.75 0.74 -0.10 0.00 0.00 0.00 0.00 17.79 20.19 1f6m h ALA 67 CO -0.05 -0.61 -0.39 -1.35 0.00 0.00 0.00 179.25 176.85 1f6m h PRO 68 N -0.11 -0.25 -0.66 0.00 0.11 -1.79 -2.54 132.00 126.76 1f6m h PRO 68 Ca 0.27 0.02 0.25 0.00 0.11 0.00 0.00 66.00 66.64 1f6m h PRO 68 Cb 0.55 0.06 -0.09 0.00 0.11 0.00 0.00 31.00 31.63 1f6m h PRO 68 CO -0.72 -0.17 0.40 1.63 -0.21 0.00 0.00 178.00 178.93 1f6m n LYS 69 N -5.42 -0.03 -0.03 1.05 4.76 -0.82 0.83 118.16 118.50 1f6m n LYS 69 Ca 0.01 0.71 0.06 0.00 -2.87 0.00 0.00 58.31 56.22 1f6m n LYS 69 Cb 0.35 -1.35 0.07 0.00 -1.84 0.00 0.00 35.03 32.26 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 -3.96 0.09 -2.36 2.13 4.02 -0.97 -4.99 117.16 111.12 1f6m n TYR 70 Ca 0.21 -0.09 0.00 0.00 -0.01 0.00 0.00 57.90 58.01 1f6m n TYR 70 Cb 0.79 -0.00 0.00 0.00 -0.02 0.00 0.00 39.34 40.10 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 0.64 0.84 3.34 2.72 0.00 0.24 -5.01 105.19 107.98 1f6m n GLY 71 Ca 0.08 -0.63 -0.46 0.00 0.00 0.00 0.00 46.02 45.02 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 -2.99 5.08 -0.63 -0.61 1.01 -1.15 -4.88 121.20 117.03 1f6m s ILE 72 Ca 0.00 -1.42 0.01 0.00 0.00 0.00 0.00 60.65 59.25 1f6m s ILE 72 Cb 0.00 -4.43 0.39 0.00 0.01 0.00 0.00 42.46 38.43 1f6m s ILE 72 CO 0.00 -1.02 1.61 0.54 0.00 0.00 0.00 174.94 176.07 1f6m n ARG 73 N 5.59 3.07 0.00 2.79 3.00 -1.26 -4.63 116.66 125.22 1f6m n ARG 73 Ca -0.07 -3.94 0.00 0.00 -0.01 0.00 0.00 57.85 53.83 1f6m n ARG 73 Cb 0.42 -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 -0.56 2.42 3.29 -0.13 0.00 -1.26 -5.18 105.19 103.77 1f6m n GLY 74 Ca 0.48 0.03 -0.18 0.00 0.00 0.00 0.00 46.02 46.35 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 -0.61 1.49 0.43 -0.61 -4.36 -1.26 -4.05 121.20 112.22 1f6m s ILE 75 Ca 0.00 -1.96 -0.21 0.00 -0.26 0.00 0.00 60.65 58.22 1f6m s ILE 75 Cb 0.00 -1.79 -0.11 0.00 1.25 0.00 0.00 42.46 41.81 1f6m s ILE 75 CO 0.00 -0.52 0.95 -2.16 0.24 0.00 0.00 174.94 173.45 1f6m s PRO 76 N -3.19 4.21 -0.05 0.37 0.04 -1.26 -4.82 135.00 130.29 1f6m s PRO 76 Ca 0.15 1.13 -0.00 0.00 0.04 0.00 0.00 61.00 62.33 1f6m s PRO 76 Cb -0.02 -2.18 0.03 0.00 0.04 0.00 0.00 34.50 32.36 1f6m s PRO 76 CO 0.04 -0.05 -0.01 0.99 0.04 0.00 0.00 177.00 178.02 1f6m s THR 77 N -2.16 0.33 -0.23 1.26 2.01 -1.21 -1.01 115.64 114.63 1f6m s THR 77 Ca 0.62 0.07 -0.08 0.00 0.31 0.00 0.00 61.69 62.61 1f6m s THR 77 Cb -0.09 -0.45 -0.04 0.00 0.01 0.00 0.00 72.50 71.93 1f6m s THR 77 CO 0.13 0.22 0.09 -0.76 -0.69 0.00 0.00 174.62 173.61 1f6m s LEU 78 N 1.48 3.74 -0.23 4.42 1.43 -0.16 -2.54 118.68 126.81 1f6m s LEU 78 Ca -0.03 -0.03 -0.05 0.00 -1.03 0.00 0.00 54.13 52.99 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 1.08 3.12 -0.90 1.79 1.02 -0.29 0.70 118.68 125.21 1f6m s LEU 79 Ca 0.05 -0.31 -0.18 0.00 0.02 0.00 0.00 54.13 53.72 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 -0.01 1.04 -0.22 0.02 0.00 0.00 176.35 177.21 1f6m s LEU 80 N 1.47 5.41 0.97 1.79 2.96 -0.31 -0.15 118.68 130.81 1f6m s LEU 80 Ca 0.05 -2.16 -0.13 0.00 -0.22 0.00 0.00 54.13 51.68 1f6m s LEU 80 Cb -0.15 -2.36 0.17 0.00 0.50 0.00 0.00 46.19 44.36 1f6m s LEU 80 CO -0.00 -0.97 1.13 -0.36 -1.32 0.00 0.00 176.35 174.83 1f6m s PHE 81 N 2.17 2.19 -0.42 5.38 0.08 -0.60 -0.21 117.98 126.57 1f6m s PHE 81 Ca 0.29 0.84 0.06 0.00 0.12 0.00 0.00 56.93 58.23 1f6m s PHE 81 Cb -0.06 -3.39 0.32 0.00 -0.57 0.00 0.00 43.02 39.32 1f6m s PHE 81 CO -0.09 -2.67 1.19 1.63 -0.10 0.00 0.00 175.22 175.18 1f6m n LYS 82 N -3.97 0.78 -2.05 0.44 5.02 -0.54 -3.08 118.16 114.76 1f6m n LYS 82 Ca 0.07 -1.60 -0.02 0.00 -2.02 0.00 0.00 58.31 54.74 1f6m n LYS 82 Cb 0.59 -0.80 0.00 0.00 -0.02 0.00 0.00 35.03 34.80 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 0.42 -4.24 -3.84 4.39 4.13 -1.25 -4.16 115.26 110.71 1f6m n ASN 83 Ca 0.03 0.11 -0.28 0.00 1.68 0.00 0.00 54.58 56.12 1f6m n ASN 83 Cb 0.71 -2.66 0.03 0.00 -1.54 0.00 0.00 39.78 36.33 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 -0.78 -0.46 2.98 7.41 0.00 -0.48 -4.88 105.19 108.98 1f6m n GLY 84 Ca 0.03 0.19 -0.11 0.00 0.00 0.00 0.00 46.02 46.12 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 -6.47 0.28 -0.28 1.61 2.56 -1.26 -5.06 118.70 110.08 1f6m s GLU 85 Ca 0.53 0.63 -0.29 0.00 0.00 0.00 0.00 54.97 55.85 1f6m s GLU 85 Cb -0.26 -0.33 -0.00 0.00 2.00 0.00 0.00 34.13 35.53 1f6m s GLU 85 CO 0.82 -0.49 1.29 0.08 -0.56 0.00 0.00 175.26 176.40 1f6m s VAL 86 N 2.50 4.17 -0.05 3.70 1.01 -1.26 -1.46 120.40 129.00 1f6m s VAL 86 Ca 0.06 1.33 0.04 0.00 0.00 0.00 0.00 61.98 63.42 1f6m s VAL 86 Cb -0.14 -4.13 -0.25 0.00 0.00 0.00 0.00 36.38 31.86 1f6m s VAL 86 CO -0.13 -0.42 0.62 0.00 0.00 0.00 0.00 175.10 175.17 1f6m h ALA 87 N 9.12 0.58 -2.98 5.51 0.00 -0.89 -3.49 119.26 127.11 1f6m h ALA 87 Ca -0.26 -1.37 0.01 0.00 0.00 0.00 0.00 54.91 53.29 1f6m h ALA 87 Cb 1.10 0.50 -0.01 0.00 0.00 0.00 0.00 17.79 19.38 1f6m h ALA 87 CO 1.02 1.43 0.27 0.00 0.00 0.00 0.00 179.25 181.97 1f6m s ALA 88 N -2.59 -0.89 -0.24 0.00 0.00 -1.21 -5.00 121.76 111.82 1f6m s ALA 88 Ca -0.10 -0.62 -0.23 0.00 0.00 0.00 0.00 51.96 51.01 1f6m s ALA 88 Cb 0.07 0.72 0.06 0.00 0.00 0.00 0.00 23.12 23.98 1f6m s ALA 88 CO 0.81 -1.00 0.65 0.95 0.00 0.00 0.00 175.76 177.17 1f6m s THR 89 N -2.73 0.00 -0.28 0.00 -4.23 -1.25 -1.16 115.64 105.99 1f6m s THR 89 Ca 0.14 -0.00 0.00 0.00 -1.18 0.00 0.00 61.69 60.65 1f6m s THR 89 Cb -0.05 -0.90 0.08 0.00 1.34 0.00 0.00 72.50 72.97 1f6m s THR 89 CO 0.10 -0.00 0.04 -0.75 -0.54 0.00 0.00 174.62 173.47 1f6m s LYS 90 N 0.33 1.07 -0.18 3.99 2.36 0.22 -4.93 119.74 122.60 1f6m s LYS 90 Ca -0.00 -1.09 -0.18 0.00 -2.55 0.00 0.00 55.97 52.15 1f6m s LYS 90 Cb -0.04 -2.36 -0.04 0.00 -1.05 0.00 0.00 37.83 34.34 1f6m s LYS 90 CO 0.01 -0.83 0.48 0.08 1.55 0.00 0.00 175.35 176.65 1f6m s VAL 91 N 1.48 5.14 0.00 4.02 1.01 -1.26 -0.99 120.40 129.80 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 -0.15 0.22 0.00 0.61 0.00 0.00 0.00 175.10 175.78 1f6m n GLY 92 N 3.78 2.56 3.76 4.51 0.00 -0.18 -5.02 105.19 114.59 1f6m n GLY 92 Ca -0.06 -2.04 -0.30 0.00 0.00 0.00 0.00 46.02 43.63 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 -2.47 1.42 0.00 4.61 0.00 -1.26 -4.79 121.76 119.27 1f6m s ALA 93 Ca 0.00 -1.03 0.00 0.00 0.00 0.00 0.00 51.96 50.93 1f6m s ALA 93 Cb 0.00 -2.85 0.00 0.00 0.00 0.00 0.00 23.12 20.27 1f6m s ALA 93 CO 0.00 -2.98 0.00 1.47 0.00 0.00 0.00 175.76 174.25 1f6m n LEU 94 N -4.25 0.00 -4.96 0.00 -0.00 -1.26 -5.07 117.00 101.47 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 44.18 1f6m n LEU 94 CO 0.46 0.00 0.77 -0.94 -0.00 0.00 0.00 177.39 177.69 1f6m s SER 95 N 0.00 3.44 0.11 1.45 1.04 -1.26 -4.85 113.70 113.63 1f6m s SER 95 Ca 0.00 0.00 -0.20 0.00 0.48 0.00 0.00 55.95 56.24 1f6m s SER 95 Cb 0.00 -0.12 -0.07 0.00 0.10 0.00 0.00 66.02 65.93 1f6m s SER 95 CO 0.00 -2.50 1.70 0.50 0.98 0.00 0.00 173.24 173.93 1f6m h LYS 96 N -1.30 0.30 -0.98 4.02 3.64 -1.99 -1.71 116.57 118.55 1f6m h LYS 96 Ca -0.41 -0.04 0.04 0.00 -1.27 0.00 0.00 60.65 58.97 1f6m h LYS 96 Cb 1.24 -0.06 -0.06 0.00 -0.41 0.00 0.00 32.23 32.94 1f6m h LYS 96 CO 0.37 0.29 0.64 0.78 -2.27 0.00 0.00 179.45 179.26 1f6m h GLY 97 N 0.24 1.43 0.33 5.01 0.00 -1.99 -1.08 103.07 107.02 1f6m h GLY 97 Ca 0.08 -0.49 0.00 0.00 0.00 0.00 0.00 47.33 46.92 1f6m h GLY 97 CO -0.01 0.42 -0.51 1.46 0.00 0.00 0.00 176.54 177.91 1f6m h GLN 98 N 1.24 -0.83 -0.79 4.80 1.08 -1.79 0.27 115.11 119.09 1f6m h GLN 98 Ca 0.39 0.06 0.07 0.00 -1.45 0.00 0.00 58.65 57.72 1f6m h GLN 98 Cb -0.01 0.19 -0.06 0.00 -0.05 0.00 0.00 27.48 27.55 1f6m h GLN 98 CO -0.12 -0.55 0.46 1.25 -0.95 0.00 0.00 178.83 178.92 1f6m h LEU 99 N -0.86 0.69 -0.55 1.46 5.85 -0.96 -1.98 115.31 118.95 1f6m h LEU 99 Ca -0.03 0.03 -0.10 0.00 0.84 0.00 0.00 57.88 58.62 1f6m h LEU 99 Cb 0.81 -0.11 -0.02 0.00 0.37 0.00 0.00 40.66 41.71 1f6m h LEU 99 CO -0.18 0.43 -0.06 0.11 -0.34 0.00 0.00 178.44 178.40 1f6m h LYS 100 N 0.82 1.02 0.00 1.25 1.57 -0.86 -0.33 116.57 120.03 1f6m h LYS 100 Ca 0.36 -0.35 -0.00 0.00 -1.87 0.00 0.00 60.65 58.79 1f6m h LYS 100 Cb 0.25 -0.08 -0.00 0.00 0.08 0.00 0.00 32.23 32.48 1f6m h LYS 100 CO -0.20 1.04 -0.00 1.49 -0.57 0.00 0.00 179.45 181.20 1f6m h GLU 101 N 0.90 0.00 0.09 3.15 4.81 0.27 0.29 114.58 124.08 1f6m h GLU 101 Ca 0.15 0.00 -0.33 0.00 -0.13 0.00 0.00 59.36 59.05 1f6m h GLU 101 Cb 0.61 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 29.97 1f6m h GLU 101 CO 0.04 0.00 -1.78 0.34 -0.73 0.00 0.00 179.01 176.88 1f6m n PHE 102 N -3.23 1.20 -0.16 0.92 -0.00 -0.89 -2.85 117.46 112.46 1f6m n PHE 102 Ca -0.03 0.32 -0.03 0.00 -0.00 0.00 0.00 57.45 57.71 1f6m n PHE 102 Cb 0.09 -1.15 0.17 0.00 -0.00 0.00 0.00 39.48 38.60 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 -0.25 0.83 0.17 -2.13 3.38 -0.16 -2.31 115.31 114.85 1f6m h LEU 103 Ca -0.40 -0.14 -0.01 0.00 0.09 0.00 0.00 57.88 57.42 1f6m h LEU 103 Cb 1.82 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 42.36 1f6m h LEU 103 CO -0.00 0.79 -0.08 0.44 0.09 0.00 0.00 178.44 179.68 1f6m h ASP 104 N 0.87 -0.19 -0.81 -0.43 3.32 -0.62 0.36 116.42 118.92 1f6m h ASP 104 Ca 0.20 -0.32 0.23 0.00 0.02 0.00 0.00 57.03 57.16 1f6m h ASP 104 Cb 0.26 0.05 -0.03 0.00 0.22 0.00 0.00 39.33 39.83 1f6m h ASP 104 CO -0.01 0.37 0.81 0.00 -1.72 0.00 0.00 179.24 178.70 1f6m h ALA 105 N -0.43 2.64 -3.00 3.45 0.00 -1.50 -3.25 119.26 117.16 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 0.50 0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.35 1f6m h ALA 105 CO 0.04 -1.23 0.00 0.09 0.00 0.00 0.00 179.25 178.15 1f6m n ASN 106 N -3.63 0.00 -3.39 0.00 3.02 -0.87 -5.03 115.26 105.35 1f6m n ASN 106 Ca 0.17 0.00 -0.31 0.00 -0.03 0.00 0.00 54.58 54.41 1f6m n ASN 106 Cb 1.08 0.00 0.02 0.00 -0.61 0.00 0.00 39.78 40.27 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 -1.13 -3.68 0.00 3.41 4.32 0.11 -5.09 117.00 114.94 1f6m n LEU 107 Ca 0.00 0.40 0.00 0.00 -0.02 0.00 0.00 56.01 56.39 1f6m n LEU 107 Cb 0.00 -0.67 0.00 0.00 -1.62 0.00 0.00 43.42 41.13 1f6m n LEU 107 CO 0.00 -4.27 0.00 0.00 -1.22 0.00 0.00 177.39 171.90